smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Oc2ccc3c(c2)occ(-c2ccc(F)cc2)c3=O)cc1 ZINC000000639733 193868642 /nfs/dbraw/zinc/86/86/42/193868642.db2.gz NUTSGRIWWAINAL-MRXNPFEDSA-N 0 0 481.501 4.180 50 0 JIAARN COc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4cccs4)nn32)c(OC)c1 ZINC000000645574 193871516 /nfs/dbraw/zinc/87/15/16/193871516.db2.gz GEDHCCCKYLFTCX-OAQYLSRUSA-N 0 0 474.546 4.346 50 0 JIAARN Cc1c(CN(C)C(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)cnn1C ZINC000000655405 193879762 /nfs/dbraw/zinc/87/97/62/193879762.db2.gz CZMMVEPYUPQUMD-UHFFFAOYSA-N 0 0 468.892 4.444 50 0 JIAARN Cc1cc(C)c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 ZINC000000665685 193885413 /nfs/dbraw/zinc/88/54/13/193885413.db2.gz QYSPKQNJYORTHD-UHFFFAOYSA-N 0 0 484.549 4.356 50 0 JIAARN COc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c1O ZINC000000680629 193894068 /nfs/dbraw/zinc/89/40/68/193894068.db2.gz PCCSKQZZQYBJDJ-XOYGFPHKSA-N 0 0 472.591 4.094 50 0 JIAARN Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2C)c1 ZINC000000687410 193896795 /nfs/dbraw/zinc/89/67/95/193896795.db2.gz GUVMQLZZWHNHTJ-CQSZACIVSA-N 0 0 477.512 4.364 50 0 JIAARN COc1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)c1 ZINC000000687492 193897103 /nfs/dbraw/zinc/89/71/03/193897103.db2.gz ZNNYEZWIPFJBMU-LBPRGKRZSA-N 0 0 494.404 4.352 50 0 JIAARN CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000000687422 193897109 /nfs/dbraw/zinc/89/71/09/193897109.db2.gz KCBKOBXNXZDMOB-UHFFFAOYSA-N 0 0 451.596 4.192 50 0 JIAARN COC(=O)c1ccccc1NC(=S)N[C@H](NC(=O)c1cccc(C)c1)C(Cl)(Cl)Cl ZINC000000836739 193922444 /nfs/dbraw/zinc/92/24/44/193922444.db2.gz GHWDJAQDTMHZIX-KRWDZBQOSA-N 0 0 474.797 4.194 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2cccc3cccnc32)ccc1Br ZINC000000854137 193928149 /nfs/dbraw/zinc/92/81/49/193928149.db2.gz LNNHKUJHUZHUHA-UHFFFAOYSA-N 0 0 463.353 4.247 50 0 JIAARN COc1cc(Br)c([C@H]2CC(=O)NC(C)=C2C(=O)OCCc2ccccc2)cc1OC ZINC000000861305 193930376 /nfs/dbraw/zinc/93/03/76/193930376.db2.gz WNUCKVZOWCTAHJ-QGZVFWFLSA-N 0 0 474.351 4.130 50 0 JIAARN Cc1c(N[C@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000000872952 193937945 /nfs/dbraw/zinc/93/79/45/193937945.db2.gz WJHOZBQENXJHHU-ARKBFRDHSA-N 0 0 479.795 4.422 50 0 JIAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000000894992 193953537 /nfs/dbraw/zinc/95/35/37/193953537.db2.gz SEFCRSDRIWSWFL-RUZDIDTESA-N 0 0 451.906 4.365 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)n2nc(C)c(Sc3ccc(C)cc3)c2C)cc1 ZINC000000955213 193991865 /nfs/dbraw/zinc/99/18/65/193991865.db2.gz HCRLMCNHSWDQSB-QFIPXVFZSA-N 0 0 485.631 4.462 50 0 JIAARN Cc1cc(Cl)ccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000000983446 193997140 /nfs/dbraw/zinc/99/71/40/193997140.db2.gz WGKABRTUWRXMIS-UHFFFAOYSA-N 0 0 472.950 4.254 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1cncc(Br)c1)CCCC2 ZINC000000977557 193995612 /nfs/dbraw/zinc/99/56/12/193995612.db2.gz SWZFPPJTPNMSIS-UHFFFAOYSA-N 0 0 468.398 4.088 50 0 JIAARN COc1ccc(Br)c(C(=O)Nc2ccc(I)cc2F)c1 ZINC000001045899 194008646 /nfs/dbraw/zinc/00/86/46/194008646.db2.gz ZGVGYIYWJGLOMA-UHFFFAOYSA-N 0 0 450.045 4.454 50 0 JIAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)cc1OC ZINC000001050710 194010063 /nfs/dbraw/zinc/01/00/63/194010063.db2.gz YFCFUGLRPGBUJB-UHFFFAOYSA-N 0 0 454.548 4.398 50 0 JIAARN COc1ccc(C(=O)C[C@@]2(O)c3cc(Br)ccc3N(Cc3ccccc3)C2=O)c(OC)c1 ZINC000001050988 194010108 /nfs/dbraw/zinc/01/01/08/194010108.db2.gz OUZSKAAABNEYMX-RUZDIDTESA-N 0 0 496.357 4.474 50 0 JIAARN O=C1S/C(=C\c2ccc(O)c(I)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000001007657 194002045 /nfs/dbraw/zinc/00/20/45/194002045.db2.gz KCQAAPJNLFFLOX-NVNXTCNLSA-N 0 0 455.248 4.372 50 0 JIAARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(Br)c(OC(C)C)c(OC)c2)C1=O ZINC000001008410 194002295 /nfs/dbraw/zinc/00/22/95/194002295.db2.gz QOINJWJZOOGIFH-GPILYODUSA-N 0 0 472.357 4.233 50 0 JIAARN O=C1[C@@H]2ON(c3ccc(Br)cc3)[C@@H](c3cccnc3)[C@@H]2C(=O)N1C1CCCCC1 ZINC000001019299 194004057 /nfs/dbraw/zinc/00/40/57/194004057.db2.gz JNFUVUMHVIBJRM-SLFFLAALSA-N 0 0 456.340 4.023 50 0 JIAARN COC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2cccc(F)c2)C1=O ZINC000001018640 194004208 /nfs/dbraw/zinc/00/42/08/194004208.db2.gz ZRLWXBDBYBJHKP-MFOYZWKCSA-N 0 0 480.311 4.377 50 0 JIAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C)c3C)C(=O)[C@H]12 ZINC000001022406 194004400 /nfs/dbraw/zinc/00/44/00/194004400.db2.gz AEQAXPMRTQJDQT-SIAIGSQXSA-N 0 0 453.538 4.473 50 0 JIAARN COc1cc(Br)cc2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)oc21 ZINC000001074402 194017541 /nfs/dbraw/zinc/01/75/41/194017541.db2.gz ZBGJWJZCZKAOBD-UHFFFAOYSA-N 0 0 477.742 4.180 50 0 JIAARN COc1cc(Br)cc2cc(C(=O)NCCc3c(C)[nH]c4ccc(F)cc43)c(=O)oc21 ZINC000001075058 194017673 /nfs/dbraw/zinc/01/76/73/194017673.db2.gz RXBCYDSYRBIJSW-UHFFFAOYSA-N 0 0 473.298 4.465 50 0 JIAARN COc1ccccc1CNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000001055424 194010991 /nfs/dbraw/zinc/01/09/91/194010991.db2.gz XYLAZBZSEFHBHF-UHFFFAOYSA-N 0 0 458.967 4.169 50 0 JIAARN COC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000001058637 194011856 /nfs/dbraw/zinc/01/18/56/194011856.db2.gz NONVLRAKMMEXRS-UHFFFAOYSA-N 0 0 452.532 4.452 50 0 JIAARN Cc1c(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000001058982 194011884 /nfs/dbraw/zinc/01/18/84/194011884.db2.gz PHPGZZRUNGZNLH-UHFFFAOYSA-N 0 0 492.461 4.465 50 0 JIAARN COc1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000001063781 194013129 /nfs/dbraw/zinc/01/31/29/194013129.db2.gz FKGHQAYKBMYSFW-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 ZINC000001065615 194013967 /nfs/dbraw/zinc/01/39/67/194013967.db2.gz OVYMUJGRIRORKK-UHFFFAOYSA-N 0 0 452.532 4.138 50 0 JIAARN O=C(NCc1cccs1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000001067622 194014857 /nfs/dbraw/zinc/01/48/57/194014857.db2.gz DSMWMZARAKYGNV-SUMWQHHRSA-N 0 0 450.442 4.264 50 0 JIAARN O=C(c1cc(-c2cccnc2)nc2ccc(Br)cc21)N1CCC2(CC1)OCCO2 ZINC000001068300 194015094 /nfs/dbraw/zinc/01/50/94/194015094.db2.gz OHSDEXBEIIJZRO-UHFFFAOYSA-N 0 0 454.324 4.038 50 0 JIAARN O=C(c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1)N1CCN(c2ccccc2)CC1 ZINC000001068003 194015115 /nfs/dbraw/zinc/01/51/15/194015115.db2.gz FJNRCHOYLIATJN-UHFFFAOYSA-N 0 0 495.461 4.106 50 0 JIAARN COc1cc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(Br)cc32)c(C)cc1C ZINC000001072134 194016328 /nfs/dbraw/zinc/01/63/28/194016328.db2.gz JMFQGDHUPZRRIM-UHFFFAOYSA-N 0 0 451.386 4.385 50 0 JIAARN COc1ccc(Cl)cc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(Br)cc21 ZINC000001073108 194016853 /nfs/dbraw/zinc/01/68/53/194016853.db2.gz WTMCRRLPELPUNY-UHFFFAOYSA-N 0 0 457.777 4.422 50 0 JIAARN COC(=O)C1C(C)=NC(=S)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000001087584 194021462 /nfs/dbraw/zinc/02/14/62/194021462.db2.gz DZBGLDASIFEXSD-FQEVSTJZSA-N 0 0 483.391 4.268 50 0 JIAARN COC(=O)COc1ccc([C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000001088419 194021579 /nfs/dbraw/zinc/02/15/79/194021579.db2.gz JIRGJIZZUWTNBV-INIZCTEOSA-N 0 0 487.188 4.282 50 0 JIAARN CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@H](C1=O)C1(C(C)=O)c3ccccc3C2c2ccccc21 ZINC000001092936 194022493 /nfs/dbraw/zinc/02/24/93/194022493.db2.gz QRNZHCDBTOWXDC-QUESLEJDSA-N 0 0 479.532 4.428 50 0 JIAARN C[C@]1(C(=O)c2ccccc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)N1CCCCC1 ZINC000001113273 194028396 /nfs/dbraw/zinc/02/83/96/194028396.db2.gz ZJWOQDNWWXZPPJ-IEXUWNMDSA-N 0 0 468.347 4.353 50 0 JIAARN Cc1cc2c(c(=O)o1)[C@H](c1cccc(C(F)(F)F)c1)C(C(=O)OCc1ccccc1)=C(N)O2 ZINC000001102198 194024519 /nfs/dbraw/zinc/02/45/19/194024519.db2.gz NMUQAPMWERDLTA-SFHVURJKSA-N 0 0 457.404 4.405 50 0 JIAARN COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)COc2ccc(Cl)cc2)cc1 ZINC000001105867 194025532 /nfs/dbraw/zinc/02/55/32/194025532.db2.gz GFTOOLCZZIMZMQ-QFIPXVFZSA-N 0 0 479.920 4.110 50 0 JIAARN CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3S[C@H](C)C(=O)N32)ccc1OC(C)=O ZINC000001108435 194026349 /nfs/dbraw/zinc/02/63/49/194026349.db2.gz YYRBAEUBSFLDSP-WAIKUNEKSA-N 0 0 494.569 4.403 50 0 JIAARN Cc1ccccc1CN1c2ccc(Cl)cc2[C@@](O)(CC(=O)c2ccc3c(c2)OCCO3)C1=O ZINC000001109243 194026716 /nfs/dbraw/zinc/02/67/16/194026716.db2.gz LDIGDTMTOYEXLN-SANMLTNESA-N 0 0 463.917 4.427 50 0 JIAARN O=C1c2ccc(-c3nc4ccc(Br)cc4c(=O)o3)cc2C(=O)N1Cc1ccccc1 ZINC000001109909 194026990 /nfs/dbraw/zinc/02/69/90/194026990.db2.gz ZVKIGDNGOMBOHF-UHFFFAOYSA-N 0 0 461.271 4.414 50 0 JIAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc(Cl)cc1Cl ZINC000001110772 194027405 /nfs/dbraw/zinc/02/74/05/194027405.db2.gz JRPJZDRUDCNCHZ-UHFFFAOYSA-N 0 0 452.157 4.161 50 0 JIAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000001111792 194028118 /nfs/dbraw/zinc/02/81/18/194028118.db2.gz LJOBMOVTILAWGB-IRXDYDNUSA-N 0 0 456.564 4.408 50 0 JIAARN O=C(C[C@H]1C(=O)N(Cc2ccccc2)C(=S)N1Cc1ccc2c(c1)OCO2)Nc1ccc(F)cc1 ZINC000001077983 194019034 /nfs/dbraw/zinc/01/90/34/194019034.db2.gz QTXZUJYSMOZBAM-NRFANRHFSA-N 0 0 491.544 4.081 50 0 JIAARN CCOc1ccc(CC(=O)Nc2c3cc(Br)ccc3oc2C(N)=O)cc1OCC ZINC000001080179 194019921 /nfs/dbraw/zinc/01/99/21/194019921.db2.gz LPPHGMAHTRVVGH-UHFFFAOYSA-N 0 0 461.312 4.273 50 0 JIAARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1 ZINC000001117169 194030478 /nfs/dbraw/zinc/03/04/78/194030478.db2.gz CIBGZZCBKCEODA-UHFFFAOYSA-N 0 0 486.375 4.354 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001121936 194034062 /nfs/dbraw/zinc/03/40/62/194034062.db2.gz RUMKTXKOKFCPOJ-UHFFFAOYSA-N 0 0 472.950 4.351 50 0 JIAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2sc3c(c2c(N)n1)CC(C)(C)OC3 ZINC000001123595 194034973 /nfs/dbraw/zinc/03/49/73/194034973.db2.gz NGSGKEWNBARVCJ-AWEZNQCLSA-N 0 0 456.637 4.354 50 0 JIAARN CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000001145793 194047555 /nfs/dbraw/zinc/04/75/55/194047555.db2.gz CRKJOAVXTVICBC-JOCHJYFZSA-N 0 0 481.622 4.473 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000001146247 194047708 /nfs/dbraw/zinc/04/77/08/194047708.db2.gz DUACCNONFBYWQJ-UHFFFAOYSA-N 0 0 471.284 4.426 50 0 JIAARN CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 ZINC000001130953 194039070 /nfs/dbraw/zinc/03/90/70/194039070.db2.gz MUGSBVJIRCKRER-GOSISDBHSA-N 0 0 454.548 4.142 50 0 JIAARN O=S(=O)(Nc1cccc(Br)c1)c1cccc(S(=O)(=O)c2ccccc2)c1 ZINC000001136318 194042127 /nfs/dbraw/zinc/04/21/27/194042127.db2.gz DLBFQZHTLLJYEK-UHFFFAOYSA-N 0 0 452.351 4.083 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c2ccccc2OC)cc1 ZINC000001138702 194043338 /nfs/dbraw/zinc/04/33/38/194043338.db2.gz JWQIDUZXPKYAIZ-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000001139526 194043933 /nfs/dbraw/zinc/04/39/33/194043933.db2.gz JWATVEDRLHVCDZ-UHFFFAOYSA-N 0 0 451.548 4.096 50 0 JIAARN CCOc1ccc(C2C(C(=O)OC)=CN(Cc3ccccc3Cl)C=C2C(=O)OC)cc1OC ZINC000001140614 194044653 /nfs/dbraw/zinc/04/46/53/194044653.db2.gz AFNRUGRILBHBJZ-UHFFFAOYSA-N 0 0 471.937 4.461 50 0 JIAARN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C(=O)OC)cc3)n2C)cc1 ZINC000001142579 194045710 /nfs/dbraw/zinc/04/57/10/194045710.db2.gz WHQUABNBHDYMCO-HNNXBMFYSA-N 0 0 454.552 4.035 50 0 JIAARN COc1ccc(C)cc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000001166067 194057762 /nfs/dbraw/zinc/05/77/62/194057762.db2.gz FDERVVOXCADDHK-UHFFFAOYSA-N 0 0 454.548 4.155 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000001151066 194050687 /nfs/dbraw/zinc/05/06/87/194050687.db2.gz AYCPDZCUKIIADH-UHFFFAOYSA-N 0 0 482.558 4.096 50 0 JIAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1cccc(Cl)c1Cl ZINC000001151627 194051019 /nfs/dbraw/zinc/05/10/19/194051019.db2.gz JCASXIYRDIKIOP-UHFFFAOYSA-N 0 0 452.157 4.161 50 0 JIAARN O=C(OCc1ccco1)/C(=C\c1ccccc1)NC(=O)c1ccc(I)cc1 ZINC000001161686 194055408 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194373475 /nfs/dbraw/zinc/37/34/75/194373475.db2.gz KMMMDHBBWZTACE-UHFFFAOYSA-N 0 0 455.062 4.297 50 0 JIAARN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)cc2)CC1 ZINC000004121779 194380000 /nfs/dbraw/zinc/38/00/00/194380000.db2.gz GUTWRPSGFHSYOM-UHFFFAOYSA-N 0 0 482.650 4.297 50 0 JIAARN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000004121768 194380003 /nfs/dbraw/zinc/38/00/03/194380003.db2.gz SOJZDOQORYTRIM-UHFFFAOYSA-N 0 0 460.603 4.415 50 0 JIAARN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000004121728 194380018 /nfs/dbraw/zinc/38/00/18/194380018.db2.gz YDYCALLFBMEBSC-UHFFFAOYSA-N 0 0 465.406 4.179 50 0 JIAARN O=C1OC(c2cccc(I)c2)=N/C1=C/c1cccc(Br)c1 ZINC000004421821 194389598 /nfs/dbraw/zinc/38/95/98/194389598.db2.gz AGAVMGZGFXCDJM-RIYZIHGNSA-N 0 0 454.061 4.398 50 0 JIAARN CCCCNC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccc(Br)cc1 ZINC000006296872 194423868 /nfs/dbraw/zinc/42/38/68/194423868.db2.gz RKMXDJURSWXVLG-UHFFFAOYSA-N 0 0 482.425 4.044 50 0 JIAARN 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195033419 /nfs/dbraw/zinc/03/34/19/195033419.db2.gz MDPAUGADGRQFPD-UHFFFAOYSA-N 0 0 499.662 4.180 50 0 JIAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)n2C)cc1 ZINC000009950852 195033447 /nfs/dbraw/zinc/03/34/47/195033447.db2.gz PUTYRXOKZBBMTI-UHFFFAOYSA-N 0 0 499.662 4.086 50 0 JIAARN CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000009953667 195035403 /nfs/dbraw/zinc/03/54/03/195035403.db2.gz MGPHUISSTAMBDX-UHFFFAOYSA-N 0 0 463.603 4.321 50 0 JIAARN CC(C)[C@@H](NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccc2c(c1)OCCO2 ZINC000009953641 195035506 /nfs/dbraw/zinc/03/55/06/195035506.db2.gz SXXJFUFHHMJGFV-JOCHJYFZSA-N 0 0 481.599 4.471 50 0 JIAARN O=C(OCc1cc(=O)n2c3c(sc2n1)CCCC3)c1ccccc1OCCOc1ccccc1 ZINC000009955919 195036490 /nfs/dbraw/zinc/03/64/90/195036490.db2.gz KCDXLSLHVNQRGT-UHFFFAOYSA-N 0 0 476.554 4.450 50 0 JIAARN Cc1nn(C)c(C)c1NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000009955924 195036506 /nfs/dbraw/zinc/03/65/06/195036506.db2.gz 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CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000012750566 195105448 /nfs/dbraw/zinc/10/54/48/195105448.db2.gz WWYMDCORCYRSDA-UHFFFAOYSA-N 0 0 454.581 4.423 50 0 JIAARN COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000012763031 195111937 /nfs/dbraw/zinc/11/19/37/195111937.db2.gz KXAXNPVUZQNMJB-JOCHJYFZSA-N 0 0 456.901 4.411 50 0 JIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000012767037 195114506 /nfs/dbraw/zinc/11/45/06/195114506.db2.gz YRLGWHOOSXKWDH-XMMPIXPASA-N 0 0 488.613 4.413 50 0 JIAARN CCc1ccccc1NC(=O)CN(CC(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(F)cc1 ZINC000012767497 195114764 /nfs/dbraw/zinc/11/47/64/195114764.db2.gz BAUMTBQGQUYBJQ-UHFFFAOYSA-N 0 0 497.592 4.219 50 0 JIAARN CCOc1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1S(=O)(=O)N1CCCC1 ZINC000012767697 195114995 /nfs/dbraw/zinc/11/49/95/195114995.db2.gz VFALDGZURTWUJL-UHFFFAOYSA-N 0 0 460.596 4.185 50 0 JIAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cc3ccc(F)cc3nc2C)CC1 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HWQDMLZXHBPGOK-UHFFFAOYSA-N 0 0 475.614 4.384 50 0 JIAARN O=C(c1ccc(SC(F)(F)F)cc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000012774532 195119618 /nfs/dbraw/zinc/11/96/18/195119618.db2.gz XISYROZEPMERJC-UHFFFAOYSA-N 0 0 454.499 4.368 50 0 JIAARN CCCOc1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000012775098 195120123 /nfs/dbraw/zinc/12/01/23/195120123.db2.gz VRKLXRCTOHJAIM-QGZVFWFLSA-N 0 0 468.579 4.018 50 0 JIAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1OCCOc1ccccc1 ZINC000012777562 195122332 /nfs/dbraw/zinc/12/23/32/195122332.db2.gz QQOFJJBGRRJZQE-RUZDIDTESA-N 0 0 464.537 4.087 50 0 JIAARN COc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000012780084 195123750 /nfs/dbraw/zinc/12/37/50/195123750.db2.gz GLEYTQKFAGTSBH-XMMPIXPASA-N 0 0 456.608 4.076 50 0 JIAARN CC(C)[C@@H](NC(=O)CSc1nnc(NCc2ccco2)s1)c1ccc2c(c1)OCCO2 ZINC000012782864 195125455 /nfs/dbraw/zinc/12/54/55/195125455.db2.gz KHPXPOQKYFNQSN-LJQANCHMSA-N 0 0 460.581 4.120 50 0 JIAARN O[C@@H](COc1ccc(Oc2ccccc2)cc1)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012781583 195124792 /nfs/dbraw/zinc/12/47/92/195124792.db2.gz YAVRWLZVYQOMQG-HXUWFJFHSA-N 0 0 473.495 4.455 50 0 JIAARN O=C(c1cc(Br)ccc1Cl)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000012781834 195124928 /nfs/dbraw/zinc/12/49/28/195124928.db2.gz WFPJTYINXUNSBT-UHFFFAOYSA-N 0 0 483.815 4.480 50 0 JIAARN Cc1cc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(=O)(=O)c2ccc(Cl)nc2)no1 ZINC000012781910 195124991 /nfs/dbraw/zinc/12/49/91/195124991.db2.gz NQXGTTZIIHYNRI-UHFFFAOYSA-N 0 0 496.976 4.133 50 0 JIAARN CCCn1c(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nnc1-c1cccc(C)c1 ZINC000012785639 195127751 /nfs/dbraw/zinc/12/77/51/195127751.db2.gz FUVQKWZEDOWQST-QGZVFWFLSA-N 0 0 487.651 4.033 50 0 JIAARN COCCn1c(S[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)nc2sc(C)c(C)c2c1=O ZINC000012786092 195128394 /nfs/dbraw/zinc/12/83/94/195128394.db2.gz COFLHQVOVYESRX-KSKOPSKJSA-N 0 0 475.680 4.287 50 0 JIAARN O=C(N[C@H](c1cccs1)c1ccccc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012786866 195128735 /nfs/dbraw/zinc/12/87/35/195128735.db2.gz MWIDURBNIMBCGB-QFIPXVFZSA-N 0 0 476.570 4.333 50 0 JIAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1Oc1ccccc1 ZINC000012787717 195129397 /nfs/dbraw/zinc/12/93/97/195129397.db2.gz GNBSYHRKUPQANR-NTCAYCPXSA-N 0 0 464.543 4.152 50 0 JIAARN Cc1cc(C(=O)COc2ccc(Br)cc2Cl)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000012790845 195131869 /nfs/dbraw/zinc/13/18/69/195131869.db2.gz AXGBNBBTHMBNOU-AWEZNQCLSA-N 0 0 460.777 4.142 50 0 JIAARN C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000012791465 195132233 /nfs/dbraw/zinc/13/22/33/195132233.db2.gz AXXLOAWZNIJKLR-PSLXWICFSA-N 0 0 465.556 4.309 50 0 JIAARN COCCN(Cc1ccccc1)C(=O)Cn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O ZINC000012793362 195133750 /nfs/dbraw/zinc/13/37/50/195133750.db2.gz JCGOBADJFPDXSF-UHFFFAOYSA-N 0 0 461.587 4.417 50 0 JIAARN Cc1ccc2nc(-c3ccc(NC(=O)C4CCN([C@H]5CCS(=O)(=O)C5)CC4)cc3)sc2c1 ZINC000012793429 195134032 /nfs/dbraw/zinc/13/40/32/195134032.db2.gz FEBMQDNFTIUASQ-FQEVSTJZSA-N 0 0 469.632 4.109 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N(CCc3ccccc3)Cc3cccs3)CC2)cc1 ZINC000012794018 195134298 /nfs/dbraw/zinc/13/42/98/195134298.db2.gz KHTBMMXYALGPPM-UHFFFAOYSA-N 0 0 498.670 4.429 50 0 JIAARN CC(C)c1ccccc1-n1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc2c1=O ZINC000012794642 195134814 /nfs/dbraw/zinc/13/48/14/195134814.db2.gz MFDKGNCEEFDKNC-UHFFFAOYSA-N 0 0 485.569 4.410 50 0 JIAARN CCOc1ccc(-n2c(CCC(=O)NCc3ccc(OC)cc3)nc3ccccc3c2=O)cc1 ZINC000012794818 195135026 /nfs/dbraw/zinc/13/50/26/195135026.db2.gz UZSBEZXASVXULU-UHFFFAOYSA-N 0 0 457.530 4.042 50 0 JIAARN O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1nc2ccc(Br)cc2s1 ZINC000012796179 195136208 /nfs/dbraw/zinc/13/62/08/195136208.db2.gz BECMQADKMCIPEH-SNVBAGLBSA-N 0 0 486.442 4.232 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000012797182 195136721 /nfs/dbraw/zinc/13/67/21/195136721.db2.gz YTOYULGTUSHOCZ-UHFFFAOYSA-N 0 0 455.561 4.045 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1cc3c(cc1C(C)=O)OCO3)CC2 ZINC000012800479 195138859 /nfs/dbraw/zinc/13/88/59/195138859.db2.gz ATUHASHEBFKDOI-SANMLTNESA-N 0 0 494.569 4.283 50 0 JIAARN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000012802547 195140102 /nfs/dbraw/zinc/14/01/02/195140102.db2.gz YFSKZYSDIPBTFC-JXFKEZNVSA-N 0 0 463.441 4.438 50 0 JIAARN C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000012807133 195142279 /nfs/dbraw/zinc/14/22/79/195142279.db2.gz SWCWAYSIBJETKO-SNVBAGLBSA-N 0 0 451.759 4.303 50 0 JIAARN C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000012807138 195142356 /nfs/dbraw/zinc/14/23/56/195142356.db2.gz SWCWAYSIBJETKO-JTQLQIEISA-N 0 0 451.759 4.303 50 0 JIAARN CC(C)NS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](c2ccccc2)C(C)C)c1 ZINC000012807224 195142387 /nfs/dbraw/zinc/14/23/87/195142387.db2.gz JOMFYNLFRBTFFP-IBGZPJMESA-N 0 0 453.402 4.263 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)c1 ZINC000012808465 195143082 /nfs/dbraw/zinc/14/30/82/195143082.db2.gz SYKSLZSUDYMRLE-UHFFFAOYSA-N 0 0 471.627 4.231 50 0 JIAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccc(CC(C)C)cc2)C(C)C)CC1 ZINC000012808377 195143117 /nfs/dbraw/zinc/14/31/17/195143117.db2.gz YHDKXBBFCDELEZ-HSZRJFAPSA-N 0 0 475.655 4.404 50 0 JIAARN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)NCc1ccc(Cl)cc1Cl ZINC000012820175 195149160 /nfs/dbraw/zinc/14/91/60/195149160.db2.gz PLJNRPMIFBKIGB-UHFFFAOYSA-N 0 0 471.337 4.233 50 0 JIAARN O=C(Nc1nc2ccc3ccccc3c2s1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000012821173 195149248 /nfs/dbraw/zinc/14/92/48/195149248.db2.gz LSUJKIHPUQTADC-KRWDZBQOSA-N 0 0 467.572 4.159 50 0 JIAARN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012821016 195149336 /nfs/dbraw/zinc/14/93/36/195149336.db2.gz HTBSKCKABHFTTB-AWEZNQCLSA-N 0 0 456.942 4.239 50 0 JIAARN CNC(=O)NC(=O)[C@@H](C)Sc1nc2scc(-c3cccs3)c2c(=O)n1CCC(C)C ZINC000012821378 195149625 /nfs/dbraw/zinc/14/96/25/195149625.db2.gz XLLUWGQDWIANQD-GFCCVEGCSA-N 0 0 464.638 4.169 50 0 JIAARN Cc1c(Cl)cccc1Nc1nn(CN(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c(=S)s1 ZINC000012823129 195150437 /nfs/dbraw/zinc/15/04/37/195150437.db2.gz FKEAHUJCQIDPJR-CQSZACIVSA-N 0 0 461.078 4.482 50 0 JIAARN Cc1ccc([C@@H]2C[C@@H](C(F)F)n3ncc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)c3N2)cc1 ZINC000012845017 195151984 /nfs/dbraw/zinc/15/19/84/195151984.db2.gz RHGLGVYKKHGCGU-VXKWHMMOSA-N 0 0 495.530 4.279 50 0 JIAARN CCc1ccccc1NC(=O)CN(C)CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000012846126 195152434 /nfs/dbraw/zinc/15/24/34/195152434.db2.gz QLCVWKRQKSQNDF-UHFFFAOYSA-N 0 0 475.589 4.042 50 0 JIAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(C(=O)c5cccc(F)c5)CC4)c3n2)cc1 ZINC000012846011 195152487 /nfs/dbraw/zinc/15/24/87/195152487.db2.gz AZGJSQZMAILCDV-UHFFFAOYSA-N 0 0 493.489 4.380 50 0 JIAARN O=c1oc2ccccc2n1CCSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000012847520 195153010 /nfs/dbraw/zinc/15/30/10/195153010.db2.gz VYAAHSSHXRABDD-UHFFFAOYSA-N 0 0 472.526 4.422 50 0 JIAARN COc1cc(/C=C/C(=O)OCC[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1O ZINC000012854821 195156810 /nfs/dbraw/zinc/15/68/10/195156810.db2.gz PKEHZAPDTRGBGE-FWRIEMNASA-N 0 0 481.570 4.376 50 0 JIAARN O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCc1ccc(C(F)(F)F)cc1 ZINC000012861329 195159202 /nfs/dbraw/zinc/15/92/02/195159202.db2.gz QPHLXKHZSARAMB-UHFFFAOYSA-N 0 0 467.538 4.432 50 0 JIAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c1C ZINC000012871719 195163848 /nfs/dbraw/zinc/16/38/48/195163848.db2.gz KFQQPFCHQLOHOB-UHFFFAOYSA-N 0 0 457.600 4.255 50 0 JIAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000012873227 195164676 /nfs/dbraw/zinc/16/46/76/195164676.db2.gz PECKDILRZFGKHT-UHFFFAOYSA-N 0 0 452.363 4.155 50 0 JIAARN COc1ccc([C@@H]2CN3C(=O)CN(Cc4cccc(OC)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000012873519 195164722 /nfs/dbraw/zinc/16/47/22/195164722.db2.gz ZIMQSYNSKDAHLM-NGQVCNFZSA-N 0 0 495.579 4.417 50 0 biogenic JIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@@H](c1cccs1)c1ccccc1 ZINC000012873843 195164857 /nfs/dbraw/zinc/16/48/57/195164857.db2.gz NAQCHPCOUGKPGN-RUZDIDTESA-N 0 0 499.658 4.249 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)c1 ZINC000012877034 195166650 /nfs/dbraw/zinc/16/66/50/195166650.db2.gz YOYXMTNMCUXNLI-UHFFFAOYSA-N 0 0 496.511 4.183 50 0 JIAARN CCCCN1CC(=O)N2C[C@@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012880736 195168468 /nfs/dbraw/zinc/16/84/68/195168468.db2.gz BKRXTAIWPPBZMF-PPHZAIPVSA-N 0 0 461.562 4.017 50 0 biogenic JIAARN Cc1cc(SCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)c(C)cc1Br ZINC000012882772 195169514 /nfs/dbraw/zinc/16/95/14/195169514.db2.gz LPNKPPQWXHGWMO-KRWDZBQOSA-N 0 0 469.470 4.409 50 0 JIAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccc(C)cc1 ZINC000012889184 195171804 /nfs/dbraw/zinc/17/18/04/195171804.db2.gz NCPMCRIFFOPTDA-CJQNEGCDSA-N 0 0 479.646 4.191 50 0 biogenic JIAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000012889939 195172229 /nfs/dbraw/zinc/17/22/29/195172229.db2.gz OCOLQOHEZBGRBF-UHFFFAOYSA-N 0 0 476.147 4.221 50 0 JIAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000012894740 195174915 /nfs/dbraw/zinc/17/49/15/195174915.db2.gz PBCGPRJYCVHWAA-UHFFFAOYSA-N 0 0 473.602 4.355 50 0 JIAARN Nn1c(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)nnc1-c1ccccc1Cl ZINC000012896094 195175361 /nfs/dbraw/zinc/17/53/61/195175361.db2.gz VOFKXGDNSUDGOI-UHFFFAOYSA-N 0 0 465.970 4.106 50 0 JIAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)/C=C/c1cc(Br)ccc1OC(F)F ZINC000012896695 195175588 /nfs/dbraw/zinc/17/55/88/195175588.db2.gz PJMOMZYKEVQKCQ-VMPITWQZSA-N 0 0 457.246 4.300 50 0 JIAARN O=C(COc1ccc(Cl)cc1Br)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012900674 195177313 /nfs/dbraw/zinc/17/73/13/195177313.db2.gz DBLYRECEZDVYAH-AWEZNQCLSA-N 0 0 451.748 4.359 50 0 JIAARN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000012863041 195160089 /nfs/dbraw/zinc/16/00/89/195160089.db2.gz SLZFGRMUYPZEOH-YHAMSUFESA-N 0 0 473.485 4.002 50 0 JIAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NC[C@H](CC(C)C)N4CCOCC4)cc3)ccc12 ZINC000012864245 195160889 /nfs/dbraw/zinc/16/08/89/195160889.db2.gz JGYRTGSFNGBXCX-QHCPKHFHSA-N 0 0 478.589 4.157 50 0 JIAARN COc1ccc(CCN2CC(=O)N3[C@H](c4ccccc4OC)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000012864495 195161043 /nfs/dbraw/zinc/16/10/43/195161043.db2.gz WAYXGENWNRRNBU-ABYGYWHVSA-N 0 0 495.579 4.113 50 0 biogenic JIAARN C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000012865805 195161308 /nfs/dbraw/zinc/16/13/08/195161308.db2.gz MYKGGCMFNWZFCE-IAGOWNOFSA-N 0 0 454.954 4.102 50 0 JIAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](Cc3c[nH]c4ccccc34)C(=O)N21)NCc1ccccc1 ZINC000020642409 195193769 /nfs/dbraw/zinc/19/37/69/195193769.db2.gz SOLLLDNZNUFPLQ-XMMPIXPASA-N 0 0 493.592 4.419 50 0 JIAARN COc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3ccccc3Br)cs2)cc1OC ZINC000012902776 195178254 /nfs/dbraw/zinc/17/82/54/195178254.db2.gz DEYKWHZFZOVYKX-UHFFFAOYSA-N 0 0 490.379 4.301 50 0 JIAARN CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc([C@H]2COc3ccccc3O2)o1 ZINC000012905970 195179870 /nfs/dbraw/zinc/17/98/70/195179870.db2.gz QQIMUXIWZPJUMX-OAHLLOKOSA-N 0 0 451.957 4.438 50 0 JIAARN CCn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nc2c3ccccc3[nH]c2c1=O ZINC000020605365 195180808 /nfs/dbraw/zinc/18/08/08/195180808.db2.gz BQOCEELJVNQGFR-UHFFFAOYSA-N 0 0 460.603 4.471 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CCc2c[nH]c3ccccc23)Cc2ccn(CC)n2)cc1 ZINC000020614253 195186256 /nfs/dbraw/zinc/18/62/56/195186256.db2.gz ZIIGGIBRXMWRAR-UHFFFAOYSA-N 0 0 452.580 4.217 50 0 JIAARN Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020614581 195186639 /nfs/dbraw/zinc/18/66/39/195186639.db2.gz YPYKTLIYRSRXAV-DEOSSOPVSA-N 0 0 461.537 4.156 50 0 JIAARN COC(=O)c1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000020617110 195188957 /nfs/dbraw/zinc/18/89/57/195188957.db2.gz GWXVDVOUDAQBDO-OLFWJLLRSA-N 0 0 479.439 4.178 50 0 JIAARN COc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(OC)cc2OC)c1 ZINC000020617181 195189035 /nfs/dbraw/zinc/18/90/35/195189035.db2.gz GCDVBOUOBKZTTG-SGEDCAFJSA-N 0 0 475.501 4.139 50 0 JIAARN Cc1coc2c1cc1c(C)c(CCC(=O)N3CCN(CCc4ccncc4)CC3)c(=O)oc1c2C ZINC000020621809 195190353 /nfs/dbraw/zinc/19/03/53/195190353.db2.gz WVSGZJINXCDOLK-UHFFFAOYSA-N 0 0 473.573 4.179 50 0 JIAARN O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCN(CCc2ccncc2)CC1 ZINC000020676249 195200815 /nfs/dbraw/zinc/20/08/15/195200815.db2.gz KPWKXTMENSTRHH-HHHXNRCGSA-N 0 0 470.573 4.128 50 0 JIAARN Cc1nc(-c2ccccc2Cl)nc2sc(C(=O)N3CCCC3)c(OCCN3CCOCC3)c21 ZINC000020677046 195201954 /nfs/dbraw/zinc/20/19/54/195201954.db2.gz RZBZNPPWVDXYLR-UHFFFAOYSA-N 0 0 487.025 4.267 50 0 JIAARN COc1ccc(CNC(=O)c2nn(-c3ccccc3)c3c2Cc2cc(OC)c(OC)cc2-3)cc1 ZINC000020720874 195206731 /nfs/dbraw/zinc/20/67/31/195206731.db2.gz ZTLJTDYNTGNQBS-UHFFFAOYSA-N 0 0 455.514 4.399 50 0 JIAARN Cn1cccc1Cc1nnc(SCC(=O)Nc2nccs2)n1-c1cccc(C(F)(F)F)c1 ZINC000020856762 195231852 /nfs/dbraw/zinc/23/18/52/195231852.db2.gz XBEJLONYKHBWGG-UHFFFAOYSA-N 0 0 478.525 4.403 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NCc2ccc(F)cc2)cc1 ZINC000020850776 195231198 /nfs/dbraw/zinc/23/11/98/195231198.db2.gz GAKAUXBSIMMWTO-DEOSSOPVSA-N 0 0 452.551 4.129 50 0 JIAARN Cc1oc2cc3oc(=O)c(CCC(=O)N4CCN(CCc5ccncc5)CC4)c(C)c3cc2c1C ZINC000020759920 195217243 /nfs/dbraw/zinc/21/72/43/195217243.db2.gz BHJRVBQQSBVLEA-UHFFFAOYSA-N 0 0 473.573 4.179 50 0 biogenic JIAARN Cc1ccc(-c2csc3ncc(C(=O)N4CCN(C/C=C/c5ccccc5)CC4)c(=O)n23)cc1 ZINC000020768259 195223386 /nfs/dbraw/zinc/22/33/86/195223386.db2.gz WZQIDOZKGDFHSL-VMPITWQZSA-N 0 0 470.598 4.203 50 0 JIAARN Cn1c2c(c(-c3ccccc3)n3c2[C@H](c2ccccc2F)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000020898543 195240655 /nfs/dbraw/zinc/24/06/55/195240655.db2.gz KBABTRPJZCXVAU-QFIPXVFZSA-N 0 0 452.489 4.349 50 0 JIAARN COc1ccc(OC)c(CCNC(=O)[C@H]2CCCN(c3nc4ccccc4n4cccc34)C2)c1 ZINC000020902686 195242027 /nfs/dbraw/zinc/24/20/27/195242027.db2.gz RBHATRDIUYADSD-FQEVSTJZSA-N 0 0 458.562 4.080 50 0 JIAARN CCOCCCN1C(=O)c2cc3ccc(OC)cc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000020903186 195242870 /nfs/dbraw/zinc/24/28/70/195242870.db2.gz QCPFDSNIGZYKFJ-SANMLTNESA-N 0 0 455.599 4.130 50 0 JIAARN COc1ccc(CN2C(=O)[C@H]3Cc4ccccc4CN3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000020918036 195246746 /nfs/dbraw/zinc/24/67/46/195246746.db2.gz JUOYTPDKCFVSEM-UHSQPCAPSA-N 0 0 475.633 4.062 50 0 JIAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)Nc3ccc(C(C)C)cc3)C(C)C)cc2C[C@@H]1C ZINC000020922647 195248359 /nfs/dbraw/zinc/24/83/59/195248359.db2.gz HCIJKYSUAKEATI-XDHUDOTRSA-N 0 0 471.623 4.049 50 0 JIAARN COc1cccc(CNC(=O)c2cc(Cl)c(NC(=O)C3=C(C)OCCS3)cc2OC)c1OC ZINC000020920064 195247442 /nfs/dbraw/zinc/24/74/42/195247442.db2.gz AZBMGJDIUWMNHR-UHFFFAOYSA-N 0 0 492.981 4.229 50 0 JIAARN Cc1nn2c(nc(COc3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)cc2=O)s1 ZINC000020859128 195232604 /nfs/dbraw/zinc/23/26/04/195232604.db2.gz YHTWNLOLNAPVBK-UHFFFAOYSA-N 0 0 450.564 4.193 50 0 JIAARN Cc1ccsc1C(=O)N(Cc1cc2cc3c(cc2nc1N(C)C)OCO3)C[C@@H]1CCCO1 ZINC000020860704 195233246 /nfs/dbraw/zinc/23/32/46/195233246.db2.gz CSHPOQUREKBORG-SFHVURJKSA-N 0 0 453.564 4.221 50 0 JIAARN Cc1cc(C(=O)COC(=O)CCC(=O)c2ccccc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000020884651 195236336 /nfs/dbraw/zinc/23/63/36/195236336.db2.gz LDAFOJLVNDYJFO-UHFFFAOYSA-N 0 0 499.567 4.281 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020889277 195236730 /nfs/dbraw/zinc/23/67/30/195236730.db2.gz DSJCSBOIDDNVMH-UHFFFAOYSA-N 0 0 469.950 4.302 50 0 JIAARN CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc(OC)cc4)ccc3n2C(C)C)CC1 ZINC000020893424 195238055 /nfs/dbraw/zinc/23/80/55/195238055.db2.gz XUVOEKZZGXXJJI-UHFFFAOYSA-N 0 0 479.581 4.152 50 0 JIAARN CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)c4cccc(C)c4)ccc3n2C(C)C)CC1 ZINC000020893415 195238122 /nfs/dbraw/zinc/23/81/22/195238122.db2.gz NBSWDVFXHNPWFN-UHFFFAOYSA-N 0 0 463.582 4.452 50 0 JIAARN CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2CC)CC1 ZINC000020893341 195238148 /nfs/dbraw/zinc/23/81/48/195238148.db2.gz SFCKCIHDUWVPPC-UHFFFAOYSA-N 0 0 469.973 4.236 50 0 JIAARN Cc1ccc(C)c(Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)ccc2=O)c1 ZINC000020893685 195238291 /nfs/dbraw/zinc/23/82/91/195238291.db2.gz RLDKJVKOENQIEC-UHFFFAOYSA-N 0 0 451.592 4.058 50 0 JIAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1cc(C)cc(C)c1 ZINC000020945786 195256648 /nfs/dbraw/zinc/25/66/48/195256648.db2.gz QLZDJMSXKXPCNY-UHFFFAOYSA-N 0 0 460.987 4.141 50 0 JIAARN CS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3c4ccccc4Oc4ccccc43)c2)nn1 ZINC000020946259 195256998 /nfs/dbraw/zinc/25/69/98/195256998.db2.gz XMYVPWYDLRPMTA-UHFFFAOYSA-N 0 0 457.511 4.423 50 0 JIAARN CCOc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)cc1OC ZINC000020978042 195258356 /nfs/dbraw/zinc/25/83/56/195258356.db2.gz IZAGKNILEAKNSO-UHFFFAOYSA-N 0 0 462.471 4.308 50 0 JIAARN COC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020978190 195258558 /nfs/dbraw/zinc/25/85/58/195258558.db2.gz HASMMGSIPIDKQW-UHFFFAOYSA-N 0 0 460.455 4.180 50 0 JIAARN Cc1ccccc1N1C(=O)CN(S(=O)(=O)c2ccccc2)C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020928638 195249954 /nfs/dbraw/zinc/24/99/54/195249954.db2.gz ZNLKJLBDTOWHDX-MHZLTWQESA-N 0 0 497.661 4.020 50 0 JIAARN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1ccc(C)cc1Cl ZINC000020932159 195251540 /nfs/dbraw/zinc/25/15/40/195251540.db2.gz WDUZQEMCULXTMK-FQEVSTJZSA-N 0 0 460.958 4.157 50 0 JIAARN COc1ccccc1S(=O)(=O)Cc1nc(-c2ccc(C(=O)NCCc3ccco3)cc2)oc1C ZINC000020935131 195252582 /nfs/dbraw/zinc/25/25/82/195252582.db2.gz MORBXQFRBZFWLT-UHFFFAOYSA-N 0 0 480.542 4.198 50 0 JIAARN Cc1[nH]nc(-c2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)s2)c1C ZINC000020991966 195262453 /nfs/dbraw/zinc/26/24/53/195262453.db2.gz QPSBHAQBXHNZKW-UHFFFAOYSA-N 0 0 470.542 4.285 50 0 JIAARN Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc32)c1 ZINC000020995063 195263664 /nfs/dbraw/zinc/26/36/64/195263664.db2.gz CFEOUPTVKUBBST-HSZRJFAPSA-N 0 0 459.571 4.380 50 0 JIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(c3nc4cccnc4s3)CC2)CC1 ZINC000020996239 195264626 /nfs/dbraw/zinc/26/46/26/195264626.db2.gz PLHPFFRNKINLKW-UHFFFAOYSA-N 0 0 456.015 4.218 50 0 JIAARN CSc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000021049822 195272539 /nfs/dbraw/zinc/27/25/39/195272539.db2.gz ZEZCAMUJAOMJSO-UHFFFAOYSA-N 0 0 454.983 4.235 50 0 JIAARN CC(=O)Oc1c2ccccc2sc1[C@H]1OC(c2cc(C)ccc2OC(C)=O)=NN1C(C)=O ZINC000021093129 195275061 /nfs/dbraw/zinc/27/50/61/195275061.db2.gz RZVKXTJVIFFSPT-HSZRJFAPSA-N 0 0 452.488 4.299 50 0 JIAARN COc1ccc(CN2CCN(C(=O)c3sc4ncccc4c3-n3cccc3)CC2)c(OC)c1OC ZINC000021094316 195275384 /nfs/dbraw/zinc/27/53/84/195275384.db2.gz HQPJXQKZNKUMFF-UHFFFAOYSA-N 0 0 492.601 4.071 50 0 JIAARN CC(=O)N1CCC(C(=O)NCc2ccccc2)(N(C(=O)c2ccc(C)cc2)c2cccc(F)c2)CC1 ZINC000021100625 195276369 /nfs/dbraw/zinc/27/63/69/195276369.db2.gz HLHCYXBSIXQOQO-UHFFFAOYSA-N 0 0 487.575 4.478 50 0 JIAARN CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000021103576 195276915 /nfs/dbraw/zinc/27/69/15/195276915.db2.gz INHZNEYWKQFTHP-UHFFFAOYSA-N 0 0 480.012 4.368 50 0 JIAARN CCOC(=O)C1CCN(C(=O)CSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)CC1 ZINC000021107107 195277108 /nfs/dbraw/zinc/27/71/08/195277108.db2.gz AKDYXYBDHLOMCO-JWGURIENSA-N 0 0 495.576 4.104 50 0 JIAARN O=C(C[S@@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)N1CCC(Cc2ccccc2)CC1 ZINC000021109558 195277244 /nfs/dbraw/zinc/27/72/44/195277244.db2.gz IFYFIUQYYRZMLV-PGUFJCEWSA-N 0 0 486.641 4.393 50 0 JIAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)N(C)Cc1ccc(Cl)s1 ZINC000021112674 195277815 /nfs/dbraw/zinc/27/78/15/195277815.db2.gz BOPYJNLSZDOCLS-UHFFFAOYSA-N 0 0 452.363 4.424 50 0 JIAARN Cc1ccccc1NC(=O)CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1 ZINC000021117744 195279339 /nfs/dbraw/zinc/27/93/39/195279339.db2.gz ZOHRWMAYXQVTHQ-UHFFFAOYSA-N 0 0 451.573 4.432 50 0 JIAARN Cc1cccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc3N2Cc2ccccc2)c1 ZINC000021117599 195279367 /nfs/dbraw/zinc/27/93/67/195279367.db2.gz IAXUPYWLMHIRAR-UHFFFAOYSA-N 0 0 451.573 4.432 50 0 JIAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000021160033 195287008 /nfs/dbraw/zinc/28/70/08/195287008.db2.gz UFHSWXQWXCMOIQ-UHFFFAOYSA-N 0 0 494.643 4.353 50 0 JIAARN COc1ccc([C@@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCc2cccc(OC)c2)cc1 ZINC000021163933 195288536 /nfs/dbraw/zinc/28/85/36/195288536.db2.gz MWDGTYDQQXRUEO-AREMUKBSSA-N 0 0 469.541 4.057 50 0 JIAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc(COc3ccccc3F)n2N)o1 ZINC000021272445 195292646 /nfs/dbraw/zinc/29/26/46/195292646.db2.gz JTWNBSDXRUUAFO-UHFFFAOYSA-N 0 0 479.497 4.016 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(C)cc2C)c2ncnn2[C@H]1c1ccc(C)cc1 ZINC000021350651 195296259 /nfs/dbraw/zinc/29/62/59/195296259.db2.gz OKBBUZIDQCUFNS-DEOSSOPVSA-N 0 0 459.550 4.089 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc3ccccc3c2)c2ncnn2[C@H]1c1ccc(F)cc1 ZINC000021351323 195296516 /nfs/dbraw/zinc/29/65/16/195296516.db2.gz OEVCKQOZYVQJDA-VWLOTQADSA-N 0 0 485.519 4.456 50 0 JIAARN CCn1c2cc(NC(=O)Nc3ccsc3C(=O)OC)c(N3CCCCC3)cc2n(CC)c1=O ZINC000021366969 195300080 /nfs/dbraw/zinc/30/00/80/195300080.db2.gz NCSZOEGJKFCWIB-UHFFFAOYSA-N 0 0 471.583 4.325 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000021380956 195300705 /nfs/dbraw/zinc/30/07/05/195300705.db2.gz LZBGCLUGPXHNJR-UHFFFAOYSA-N 0 0 461.349 4.448 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)COC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000021477733 195302500 /nfs/dbraw/zinc/30/25/00/195302500.db2.gz LXESHOLBAFYRBQ-GORDUTHDSA-N 0 0 466.715 4.377 50 0 JIAARN Cn1c2c(c(-c3ccccc3)n3c2[C@@H](c2cccc(F)c2F)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000021524885 195304396 /nfs/dbraw/zinc/30/43/96/195304396.db2.gz XIWPTFSFHIONSN-JOCHJYFZSA-N 0 0 470.479 4.488 50 0 JIAARN COc1ccc(Br)cc1CNC(=O)c1c(N2CCCC2=O)c2cc(C)ccc2n1C ZINC000021529979 195308514 /nfs/dbraw/zinc/30/85/14/195308514.db2.gz USSFOHXBGYHBSY-UHFFFAOYSA-N 0 0 470.367 4.315 50 0 JIAARN CN(CCc1noc(COc2ccc(Cl)cc2)n1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000021533779 195310231 /nfs/dbraw/zinc/31/02/31/195310231.db2.gz HTDDIEHQWHYTGX-UHFFFAOYSA-N 0 0 475.876 4.184 50 0 JIAARN CCOc1ccc(-c2cc(C(=O)N(Cc3ccccc3Cl)[C@@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000021786712 195321472 /nfs/dbraw/zinc/32/14/72/195321472.db2.gz JLPARZYUGNOJIV-GOSISDBHSA-N 0 0 474.966 4.223 50 0 JIAARN CC(C)OCCCNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1ccccc1F ZINC000021912364 195330679 /nfs/dbraw/zinc/33/06/79/195330679.db2.gz TUMQKHJZMLLFQH-HSZRJFAPSA-N 0 0 469.582 4.429 50 0 JIAARN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000021915848 195332028 /nfs/dbraw/zinc/33/20/28/195332028.db2.gz XURYASBLAQPWHO-UHFFFAOYSA-N 0 0 469.607 4.200 50 0 JIAARN Cc1cccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(Br)cc4)C3)n2)c1 ZINC000021939966 195338726 /nfs/dbraw/zinc/33/87/26/195338726.db2.gz DVNILTFURAHNSA-INIZCTEOSA-N 0 0 462.369 4.376 50 0 JIAARN COc1ccc(C)cc1NC(=O)CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O ZINC000021942548 195339567 /nfs/dbraw/zinc/33/95/67/195339567.db2.gz AWWXHCFLRACJOY-UHFFFAOYSA-N 0 0 469.950 4.052 50 0 JIAARN Cc1ccc(NC(=O)CN2N=C(c3ccccc3)c3cc(Cl)ccc3S2(=O)=O)c(C)c1 ZINC000021942509 195339597 /nfs/dbraw/zinc/33/95/97/195339597.db2.gz YLPHZPLKPYAOIK-UHFFFAOYSA-N 0 0 453.951 4.352 50 0 JIAARN O=C(CN1N=C(c2ccccc2F)c2cc(Cl)ccc2S1(=O)=O)Nc1cccc(F)c1 ZINC000021942623 195339728 /nfs/dbraw/zinc/33/97/28/195339728.db2.gz QVASWAIFVBGSGQ-UHFFFAOYSA-N 0 0 461.877 4.014 50 0 JIAARN CCc1cccc(NC(=O)CN2N=C(c3ccccc3F)c3cc(Cl)ccc3S2(=O)=O)c1 ZINC000021942660 195339787 /nfs/dbraw/zinc/33/97/87/195339787.db2.gz OJNNMOZNJFHFNR-UHFFFAOYSA-N 0 0 471.941 4.437 50 0 JIAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)N1CCN(c2ccc(F)cc2)CC1 ZINC000057486744 195344503 /nfs/dbraw/zinc/34/45/03/195344503.db2.gz RFPWHQQVQHQWCX-UHFFFAOYSA-N 0 0 465.916 4.346 50 0 JIAARN COc1cccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)c1 ZINC000057487718 195345377 /nfs/dbraw/zinc/34/53/77/195345377.db2.gz VHCFKGCAONNXJD-UHFFFAOYSA-N 0 0 465.600 4.481 50 0 JIAARN CSc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(C)c(C)c3)c2=O)c1 ZINC000057491185 195347119 /nfs/dbraw/zinc/34/71/19/195347119.db2.gz NZGZCYQOUQVWIN-UHFFFAOYSA-N 0 0 451.573 4.191 50 0 JIAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(Cl)cc3F)c2=O)c1 ZINC000057492204 195347613 /nfs/dbraw/zinc/34/76/13/195347613.db2.gz ZWTDBCUBRAIPDL-UHFFFAOYSA-N 0 0 457.914 4.262 50 0 JIAARN CSc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cc(C)ccc3C)c2=O)c1 ZINC000057492632 195347719 /nfs/dbraw/zinc/34/77/19/195347719.db2.gz AKAJSKQVPUGDQR-UHFFFAOYSA-N 0 0 451.573 4.191 50 0 JIAARN CCc1cccc(C)c1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(F)cc2C)c1=O ZINC000057493480 195348044 /nfs/dbraw/zinc/34/80/44/195348044.db2.gz SQUUTRJFBSUDQD-UHFFFAOYSA-N 0 0 451.523 4.171 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cc(F)cc(F)c3)c2=O)cc1Cl ZINC000057494158 195348156 /nfs/dbraw/zinc/34/81/56/195348156.db2.gz WFUBOJMGISZHMD-UHFFFAOYSA-N 0 0 461.877 4.093 50 0 JIAARN Cc1ccc(-c2noc(-c3cccn4c3nn(CC(=O)Nc3cccc(C(C)C)c3)c4=O)n2)cc1 ZINC000057503691 195348872 /nfs/dbraw/zinc/34/88/72/195348872.db2.gz PZNCIJKIYLZCJJ-UHFFFAOYSA-N 0 0 468.517 4.284 50 0 JIAARN C[C@@H]1CN(Cc2cccc(CNC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)c2)CCO1 ZINC000057997135 195361566 /nfs/dbraw/zinc/36/15/66/195361566.db2.gz OYVKKEAZBPFANL-HXUWFJFHSA-N 0 0 458.562 4.481 50 0 JIAARN c1csc(-c2noc(CCCSc3nc(CN4CCOCC4)nc4ccccc43)n2)c1 ZINC000058045514 195363484 /nfs/dbraw/zinc/36/34/84/195363484.db2.gz IBBIMZYGYSOWSK-UHFFFAOYSA-N 0 0 453.593 4.298 50 0 JIAARN O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC000058085831 195364411 /nfs/dbraw/zinc/36/44/11/195364411.db2.gz HTDOEWUNEUJYTI-VXKWHMMOSA-N 0 0 468.450 4.405 50 0 JIAARN O=C(CNC(=O)c1ccc(Br)o1)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000058134417 195365360 /nfs/dbraw/zinc/36/53/60/195365360.db2.gz BQXZJUMQXJALNT-QGZVFWFLSA-N 0 0 463.278 4.150 50 0 JIAARN COC(=O)c1cc(S(=O)(=O)NC2(c3ccc(F)cc3)CCCC2)c(Br)s1 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COc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(CCCc3ccccc3)c4=O)n2)c(OC)c1 ZINC000095613880 129916588 /nfs/dbraw/zinc/91/65/88/129916588.db2.gz POXDOIHOLLFTBX-UHFFFAOYSA-N 0 0 484.512 4.057 50 0 JIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000096115679 129968857 /nfs/dbraw/zinc/96/88/57/129968857.db2.gz ZAPUPSJPVACDCZ-URXFXBBRSA-N 0 0 459.454 4.047 50 0 biogenic JIAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1COC2(CCCCC2)N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000096277542 130017664 /nfs/dbraw/zinc/01/76/64/130017664.db2.gz CZYSHPKBCKQGBU-LJQANCHMSA-N 0 0 490.478 4.252 50 0 JIAARN Cc1nn(C)c(C)c1CN(C(=S)Nc1ccc(C)cc1C)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O ZINC000096288450 130032219 /nfs/dbraw/zinc/03/22/19/130032219.db2.gz LEWXJLUXTAVEFB-XMMPIXPASA-N 0 0 489.645 4.493 50 0 JIAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[C@H](C)c3ccccc3)C2=O)cc1OC ZINC000096298600 130052673 /nfs/dbraw/zinc/05/26/73/130052673.db2.gz HUSFEVICDPBAES-WASCAKKMSA-N 0 0 454.548 4.050 50 0 JIAARN Cc1c2c(nn1-c1ccc(Cl)cc1)c(=O)[nH]nc2CSc1nnc(-c2ccccc2)o1 ZINC000096305999 130055552 /nfs/dbraw/zinc/05/55/52/130055552.db2.gz QBLMMEVOSIKGBP-UHFFFAOYSA-N 0 0 450.911 4.413 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000096318762 130063752 /nfs/dbraw/zinc/06/37/52/130063752.db2.gz VVQYQTMNXFHZGL-UHFFFAOYSA-N 0 0 479.527 4.097 50 0 JIAARN CN(C)c1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@]23CC(=O)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000096318900 130063791 /nfs/dbraw/zinc/06/37/91/130063791.db2.gz VGLJLFYNVPNPJN-WZONZLPQSA-N 0 0 486.018 4.343 50 0 JIAARN O=C(Nc1ccc(F)cc1)c1sccc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000096322622 130066025 /nfs/dbraw/zinc/06/60/25/130066025.db2.gz JBPHUZXPZYGGMY-UHFFFAOYSA-N 0 0 479.986 4.304 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCCCC2)cc1Cl ZINC000096324062 130068097 /nfs/dbraw/zinc/06/80/97/130068097.db2.gz LXQGFVOVQBCTDB-UHFFFAOYSA-N 0 0 494.038 4.228 50 0 JIAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)NCc2ccccc2Cl)cc1 ZINC000096324524 130069892 /nfs/dbraw/zinc/06/98/92/130069892.db2.gz DQWLEBAUICQVIT-UHFFFAOYSA-N 0 0 456.999 4.464 50 0 JIAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)c(Br)c1 ZINC000096324633 130070594 /nfs/dbraw/zinc/07/05/94/130070594.db2.gz GAEKRCMQZOHRDE-MRXNPFEDSA-N 0 0 468.355 4.034 50 0 JIAARN COc1cc([C@@H]2c3c(cc(C)oc3=O)O[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC ZINC000096336024 130072855 /nfs/dbraw/zinc/07/28/55/130072855.db2.gz BXUNMOSEPPQQHC-KNQAVFIVSA-N 0 0 471.893 4.159 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)c2cc3c(nc4c(C)cccn4c3=O)n2Cc2ccccc2)cc1 ZINC000096347462 130074526 /nfs/dbraw/zinc/07/45/26/130074526.db2.gz OHSAVURXNGDTMT-UHFFFAOYSA-N 0 0 480.524 4.435 50 0 JIAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000096481717 130100421 /nfs/dbraw/zinc/10/04/21/130100421.db2.gz DUACMEUPVZWOPU-XYSUMVETSA-N 0 0 499.592 4.474 50 0 JIAARN C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 ZINC000103192644 130611900 /nfs/dbraw/zinc/61/19/00/130611900.db2.gz ADWPGAKZHIOYKZ-JRRRGCKWSA-N 0 0 474.354 4.381 50 0 JIAARN C[C@@H]1CCC[C@H](NC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4F)c3c2=O)[C@H]1C ZINC000103674149 130652155 /nfs/dbraw/zinc/65/21/55/130652155.db2.gz YYKRGWLVQGZIPQ-STSQHVNTSA-N 0 0 460.553 4.480 50 0 JIAARN COc1cccc(Oc2nc(N3CCCC3)nc3c2CN(Cc2ccc4c(c2)OCO4)CC3)c1 ZINC000034755818 518167570 /nfs/dbraw/zinc/16/75/70/518167570.db2.gz WFVUXUOTHHHMQK-UHFFFAOYSA-N 0 0 460.534 4.165 50 0 JIAARN Cc1ccc(Cn2c(=O)c3ccccc3n(Cc3nc(-c4ccc(C)c(C)c4)no3)c2=O)cc1 ZINC000038487325 518189056 /nfs/dbraw/zinc/18/90/56/518189056.db2.gz WUMRQMFJEHAUFJ-UHFFFAOYSA-N 0 0 452.514 4.235 50 0 JIAARN Cc1nc2ccc(S(=O)(=O)N(CC(=O)NC3CCCCC3)Cc3ccccc3)cc2s1 ZINC000009683330 518193046 /nfs/dbraw/zinc/19/30/46/518193046.db2.gz YABQRDOPQJNANM-UHFFFAOYSA-N 0 0 457.621 4.245 50 0 JIAARN Cn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nnc1-c1ccccc1 ZINC000009631600 518194835 /nfs/dbraw/zinc/19/48/35/518194835.db2.gz ITDVBGTWCQWYCJ-UHFFFAOYSA-N 0 0 477.512 4.068 50 0 JIAARN O=C1C=CC(=O)N1c1ccc(-c2cc(-c3ccc(N4C(=O)C=CC4=O)cc3)nc(-c3ccccc3)n2)cc1 ZINC000000842485 518202366 /nfs/dbraw/zinc/20/23/66/518202366.db2.gz VXEZDZAWPICGEI-UHFFFAOYSA-N 0 0 498.498 4.336 50 0 JIAARN Brc1ccc([C@H]2C[C@@H](c3ccc(I)cc3)Nc3nnnn32)cc1 ZINC000002918624 518216666 /nfs/dbraw/zinc/21/66/66/518216666.db2.gz WPLQZLAFYDGXDA-LSDHHAIUSA-N 0 0 482.123 4.187 50 0 JIAARN CC(=O)c1ccc(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)N4CCCCC4)cc3)n2)cc1 ZINC000033128802 518366110 /nfs/dbraw/zinc/36/61/10/518366110.db2.gz KUCBQLCCWNRFHX-UHFFFAOYSA-N 0 0 475.549 4.272 50 0 JIAARN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)cc1 ZINC000006131925 518377864 /nfs/dbraw/zinc/37/78/64/518377864.db2.gz DWUXJCOGGOMTGF-IBGZPJMESA-N 0 0 494.569 4.491 50 0 JIAARN CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)nc2)cc1 ZINC000064942706 518380187 /nfs/dbraw/zinc/38/01/87/518380187.db2.gz IKSULYYYULLVCL-UHFFFAOYSA-N 0 0 459.321 4.132 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000016699384 518403560 /nfs/dbraw/zinc/40/35/60/518403560.db2.gz GLBJVDZLWFFKBQ-IBGZPJMESA-N 0 0 454.470 4.090 50 0 JIAARN CC(C)(C)C(=O)O[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000008648221 518593349 /nfs/dbraw/zinc/59/33/49/518593349.db2.gz QIEBOFTWFMRXSD-QGDIXAPHSA-N 0 0 477.357 4.084 50 0 JIAARN CC(C)(C)c1cc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000014683341 518996662 /nfs/dbraw/zinc/99/66/62/518996662.db2.gz KHFZWLOWTJEYBB-UHFFFAOYSA-N 0 0 486.678 4.453 50 0 JIAARN CC(C)(C)c1ccc(S(=O)(=O)NCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000047146210 519045940 /nfs/dbraw/zinc/04/59/40/519045940.db2.gz ACFUYCBAEVRIAQ-UHFFFAOYSA-N 0 0 452.555 4.395 50 0 JIAARN C=CS(=O)(=O)c1ccc(N[C@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)c(OC)c1 ZINC000002678284 519293077 /nfs/dbraw/zinc/29/30/77/519293077.db2.gz IFIVJRFNLPYMJZ-GOSISDBHSA-N 0 0 477.797 4.459 50 0 JIAARN CC(=C/c1ccccc1)/C=C1\SC(=O)N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O ZINC000033294154 519347977 /nfs/dbraw/zinc/34/79/77/519347977.db2.gz KREPORMCQUTSGB-NJGMCBKPSA-N 0 0 488.569 4.106 50 0 JIAARN CC(C)Cn1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)N2CCC[C@H](c3ccccc3)C2)c1 ZINC000014962481 519498127 /nfs/dbraw/zinc/49/81/27/519498127.db2.gz VEUACHAIMALNRQ-NRFANRHFSA-N 0 0 461.562 4.047 50 0 JIAARN CC(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036121591 519576037 /nfs/dbraw/zinc/57/60/37/519576037.db2.gz KTSPOSQMUDXAAO-JTHBVZDNSA-N 0 0 488.625 4.446 50 0 JIAARN CC(=O)N1CCN(C(=O)c2coc(CN(Cc3cc(C)ccc3C)[C@H](C)c3ccccc3)n2)CC1 ZINC000036073437 519581321 /nfs/dbraw/zinc/58/13/21/519581321.db2.gz GWPCNOFUGBBRQG-JOCHJYFZSA-N 0 0 474.605 4.359 50 0 JIAARN CC(=O)N1CCc2cc(NC(=O)C(=O)c3c(C)nn(-c4cccc(C(F)(F)F)c4)c3C)ccc21 ZINC000016234142 519631273 /nfs/dbraw/zinc/63/12/73/519631273.db2.gz QXBVHZIEHOKHGS-UHFFFAOYSA-N 0 0 470.451 4.238 50 0 JIAARN CC(=O)NCC(=O)N(C)C1(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)CCCCC1 ZINC000013942751 519649486 /nfs/dbraw/zinc/64/94/86/519649486.db2.gz XQTIINKIKDCNAY-QHCPKHFHSA-N 0 0 490.431 4.496 50 0 JIAARN CC(C)CCn1c2ccccc2nc1SCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000025759866 519700457 /nfs/dbraw/zinc/70/04/57/519700457.db2.gz OUKVUFRCVLEKQO-SFHVURJKSA-N 0 0 491.704 4.452 50 0 JIAARN CC(=O)Nc1c2ccccc2n2c1C(=O)N(Cc1ccccc1F)[C@](C)(C(=O)NC1CCCC1)C2 ZINC000021866897 519702959 /nfs/dbraw/zinc/70/29/59/519702959.db2.gz SDPWZMLVCMSGIN-MHZLTWQESA-N 0 0 476.552 4.212 50 0 JIAARN CC(=O)Nc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(Br)o4)C3)n2)cc1 ZINC000033289534 519708756 /nfs/dbraw/zinc/70/87/56/519708756.db2.gz GFYSFDKRSHHABV-AWEZNQCLSA-N 0 0 459.300 4.070 50 0 JIAARN CC(C)NC(=O)CSc1ncc2c(n1)-c1cc(Cl)ccc1N(Cc1ccccc1)S2(=O)=O ZINC000033039729 519709494 /nfs/dbraw/zinc/70/94/94/519709494.db2.gz HOTBEZGWQHKUFN-UHFFFAOYSA-N 0 0 489.022 4.123 50 0 JIAARN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C(C)C)CC3)cc1 ZINC000022699027 519713463 /nfs/dbraw/zinc/71/34/63/519713463.db2.gz JHYOGWLYCMKRPW-UHFFFAOYSA-N 0 0 492.711 4.465 50 0 JIAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)cc1 ZINC000064977047 519714485 /nfs/dbraw/zinc/71/44/85/519714485.db2.gz XDAVSZLQAMKKSR-UHFFFAOYSA-N 0 0 498.004 4.288 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000035227267 519724588 /nfs/dbraw/zinc/72/45/88/519724588.db2.gz YDKVJJAUDIXXIU-XZGNNNQISA-N 0 0 495.539 4.476 50 0 JIAARN CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(C(C)C)cc3)c2)C1 ZINC000021710729 519739434 /nfs/dbraw/zinc/73/94/34/519739434.db2.gz GKZHKAKVCYFYQY-JOCHJYFZSA-N 0 0 485.650 4.235 50 0 JIAARN CC(C)CNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc(F)ccc2F)c(Cl)cc1Cl ZINC000002637673 519749282 /nfs/dbraw/zinc/74/92/82/519749282.db2.gz AWMFASVYXFKIOP-UHFFFAOYSA-N 0 0 495.331 4.001 50 0 JIAARN CC(=O)O[C@H](CN(C)S(=O)(=O)c1ccc(C)cc1)Cn1c2ccccc2c2ccccc21 ZINC000023118714 519757809 /nfs/dbraw/zinc/75/78/09/519757809.db2.gz NUGLGQYZZWUFMY-HXUWFJFHSA-N 0 0 450.560 4.355 50 0 JIAARN CC(C)Oc1ccc(CNC(=O)CCn2cnc3onc(-c4ccccc4Cl)c3c2=O)cc1 ZINC000033250024 519779264 /nfs/dbraw/zinc/77/92/64/519779264.db2.gz LFUCUDXTEZSSJE-UHFFFAOYSA-N 0 0 466.925 4.199 50 0 JIAARN CC(C)Oc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)c1 ZINC000024613594 519783328 /nfs/dbraw/zinc/78/33/28/519783328.db2.gz XLHVEXRWXARMCX-UHFFFAOYSA-N 0 0 468.978 4.447 50 0 JIAARN CC(C)Sc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)n1 ZINC000008613810 519788665 /nfs/dbraw/zinc/78/86/65/519788665.db2.gz DOHNUAFVKLKNIM-AWEZNQCLSA-N 0 0 469.032 4.303 50 0 JIAARN CC(C)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005461502 519798081 /nfs/dbraw/zinc/79/80/81/519798081.db2.gz FDLTZZCJHNWUFH-IZZNHLLZSA-N 0 0 488.584 4.408 50 0 JIAARN CC(C)[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000017994274 519810277 /nfs/dbraw/zinc/81/02/77/519810277.db2.gz 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ZINC000033269168 519901353 /nfs/dbraw/zinc/90/13/53/519901353.db2.gz KWQHVZPVUMGRLH-GOSISDBHSA-N 0 0 455.555 4.147 50 0 JIAARN CCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016474395 519905266 /nfs/dbraw/zinc/90/52/66/519905266.db2.gz RAJZVXYHLXLXJL-UHFFFAOYSA-N 0 0 451.548 4.188 50 0 JIAARN CCCNC(=O)c1ccccc1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033272051 519905457 /nfs/dbraw/zinc/90/54/57/519905457.db2.gz FSWNDILGENKEQT-UHFFFAOYSA-N 0 0 463.559 4.193 50 0 JIAARN CCOCCOc1nc(-c2cccs2)n(-c2ccc(NC[C@H](O)COCc3ccccc3)cc2)n1 ZINC000036145714 520045865 /nfs/dbraw/zinc/04/58/65/520045865.db2.gz YFOHRUMHFOCWQU-QHCPKHFHSA-N 0 0 494.617 4.401 50 0 JIAARN CCCCCCN1CC(=O)N2[C@H](c3ccc(OC)cc3OC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002098633 520076217 /nfs/dbraw/zinc/07/62/17/520076217.db2.gz NODIPXZRMXTNTH-WNCULLNHSA-N 0 0 475.589 4.450 50 0 biogenic JIAARN CCCCCCNC(=O)c1cn(CC)c2cc(N3CCN(C(=O)c4ccco4)CC3)c(F)cc2c1=O ZINC000006077863 520094107 /nfs/dbraw/zinc/09/41/07/520094107.db2.gz LMDHIUXEUBHYQF-UHFFFAOYSA-N 0 0 496.583 4.026 50 0 JIAARN CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000008940882 520188459 /nfs/dbraw/zinc/18/84/59/520188459.db2.gz FDLQVUZQUXVFHG-UHFFFAOYSA-N 0 0 486.001 4.417 50 0 JIAARN CCCOc1c2cc(NC(=O)CN3c4ccccc4O[C@@H](C)C3=O)ccc2sc1C(=O)OC ZINC000021703074 520299006 /nfs/dbraw/zinc/29/90/06/520299006.db2.gz BIVGNVZVLMQFEE-AWEZNQCLSA-N 0 0 468.531 4.229 50 0 JIAARN CCCOc1ccc(-c2c(=O)n(OCc3ccccc3Br)c3ccccc3[n+]2[O-])cc1 ZINC000016293765 520315865 /nfs/dbraw/zinc/31/58/65/520315865.db2.gz GGBPUYWDZZMVLA-UHFFFAOYSA-N 0 0 481.346 4.482 50 0 JIAARN CCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 ZINC000016700713 520324108 /nfs/dbraw/zinc/32/41/08/520324108.db2.gz QKTBIJBDOLFBDS-YJADQXIJSA-N 0 0 496.654 4.285 50 0 JIAARN CCCOc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(SC)cc4)C3)o2)cc1 ZINC000033291396 520338245 /nfs/dbraw/zinc/33/82/45/520338245.db2.gz BNRVSUDLLJTYLR-MRXNPFEDSA-N 0 0 452.536 4.353 50 0 JIAARN CCCCN(C(=O)c1csc(-c2ccc(C(C)C)cc2)n1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000024864948 520365283 /nfs/dbraw/zinc/36/52/83/520365283.db2.gz LNQURLBRAVMKAV-UHFFFAOYSA-N 0 0 469.611 4.223 50 0 JIAARN CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cc(OC)cc(OC)c1)C(=O)C1CC1 ZINC000036058187 520371206 /nfs/dbraw/zinc/37/12/06/520371206.db2.gz TXLNWLQEQBTEBT-UHFFFAOYSA-N 0 0 482.968 4.407 50 0 JIAARN CCCOc1ccc([C@H]2CN3C(=O)CN(C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000008789103 520434338 /nfs/dbraw/zinc/43/43/38/520434338.db2.gz FWBCYVKNDRAKRA-WINIVTDRSA-N 0 0 461.562 4.017 50 0 biogenic JIAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1cccs1 ZINC000036069922 520440495 /nfs/dbraw/zinc/44/04/95/520440495.db2.gz CPJFGTDSWSNRLS-UHFFFAOYSA-N 0 0 477.634 4.105 50 0 JIAARN CCCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1ccccc1 ZINC000036083267 520440754 /nfs/dbraw/zinc/44/07/54/520440754.db2.gz CAHKNBKLVMZZKR-UHFFFAOYSA-N 0 0 489.595 4.264 50 0 JIAARN CCCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3cccc(OC)c3)n2)c1 ZINC000021726699 520472239 /nfs/dbraw/zinc/47/22/39/520472239.db2.gz RJHJMCDFQMJCKI-OAQYLSRUSA-N 0 0 470.533 4.304 50 0 JIAARN CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1cc(Br)ccc1OC ZINC000016735150 520480982 /nfs/dbraw/zinc/48/09/82/520480982.db2.gz MSPFGTDPHXZJTA-GOEBONIOSA-N 0 0 453.358 4.060 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3Cl)c(=O)n2[C@H]1c1cccs1 ZINC000006227799 520483966 /nfs/dbraw/zinc/48/39/66/520483966.db2.gz DXLBOAHQGKQNTQ-KAPURRDVSA-N 0 0 479.410 4.167 50 0 JIAARN CCN(CC)C(=O)Cn1cc(SCC(=O)Nc2ccc(OC)c(OC)c2)c2ccccc21 ZINC000009118261 520500488 /nfs/dbraw/zinc/50/04/88/520500488.db2.gz UPYSDOIUFRYSKC-UHFFFAOYSA-N 0 0 455.580 4.258 50 0 JIAARN CCOC(=O)C1=C(CN(C)c2ccc(CC)cc2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214625 520509790 /nfs/dbraw/zinc/50/97/90/520509790.db2.gz GOPXBKKPARZXFL-DEOSSOPVSA-N 0 0 451.567 4.344 50 0 JIAARN CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC 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DQHLTLOGOSDHOM-AREMUKBSSA-N 0 0 477.605 4.347 50 0 JIAARN CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccc(C)cc1)n2C ZINC000046017188 520610654 /nfs/dbraw/zinc/61/06/54/520610654.db2.gz DQGMZJBZGMIODH-SFHVURJKSA-N 0 0 465.575 4.262 50 0 JIAARN CCCCNC(=O)CSc1nc2c3cccnc3sc2c(=O)n1Cc1ccccc1OCC ZINC000045922164 520625741 /nfs/dbraw/zinc/62/57/41/520625741.db2.gz ZJVAVZNBTKPGBL-UHFFFAOYSA-N 0 0 482.631 4.462 50 0 JIAARN CC1(C)[C@H](C(=O)N(Cc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)[C@H]1C=C(Cl)Cl ZINC000008773083 520647187 /nfs/dbraw/zinc/64/71/87/520647187.db2.gz PBDFMENYTNJGDQ-CPUCHLNUSA-N 0 0 450.815 4.447 50 0 JIAARN CCOc1cc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)ccc1OCc1cccnc1 ZINC000023110568 520667040 /nfs/dbraw/zinc/66/70/40/520667040.db2.gz FANGAMOZEKXWOD-UHFFFAOYSA-N 0 0 499.589 4.048 50 0 JIAARN CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)NCc2ccccc2Cl)c1 ZINC000033265112 520687998 /nfs/dbraw/zinc/68/79/98/520687998.db2.gz SFDOZBUVSIQUGK-UHFFFAOYSA-N 0 0 456.999 4.464 50 0 JIAARN CCCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000048310196 520697600 /nfs/dbraw/zinc/69/76/00/520697600.db2.gz FCPKOBCYBQBGSP-UHFFFAOYSA-N 0 0 465.641 4.395 50 0 JIAARN CCOc1cc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(Cl)cc2)n3C)ccc1O ZINC000009249751 520783646 /nfs/dbraw/zinc/78/36/46/520783646.db2.gz HFJBLEBAMBOEQM-MRXNPFEDSA-N 0 0 471.966 4.304 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)ccc1Cl ZINC000022641934 520785220 /nfs/dbraw/zinc/78/52/20/520785220.db2.gz LQWAGINEJBZZSV-LBPRGKRZSA-N 0 0 468.000 4.056 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3)C2)s1 ZINC000033275467 520803769 /nfs/dbraw/zinc/80/37/69/520803769.db2.gz VGDFBJCNDBPBEC-HNNXBMFYSA-N 0 0 499.058 4.315 50 0 JIAARN CCOc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccc(F)c(Cl)c4)ccn3n2)cc1 ZINC000067261215 520807825 /nfs/dbraw/zinc/80/78/25/520807825.db2.gz JVDWJIGOVMYSAX-UHFFFAOYSA-N 0 0 468.916 4.061 50 0 JIAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(NC(C)=O)cc4)nccn3n2)cc1 ZINC000067290547 520808578 /nfs/dbraw/zinc/80/85/78/520808578.db2.gz JMQONKYGZVBDGN-UHFFFAOYSA-N 0 0 461.547 4.484 50 0 JIAARN CCOc1ccc(-c2cc3c(N4CCC(C(=O)NCc5ccc6c(c5)OCO6)CC4)nccn3n2)cc1 ZINC000033266600 520809078 /nfs/dbraw/zinc/80/90/78/520809078.db2.gz YTMHVUJNLNSCAC-UHFFFAOYSA-N 0 0 499.571 4.057 50 0 JIAARN CCOC(=O)CSc1ccc2c3c1cccc3C(=O)N(CCc1ccc(OC)c(OC)c1)C2=O ZINC000008648735 520811482 /nfs/dbraw/zinc/81/14/82/520811482.db2.gz WVFKKXQICGVMKR-UHFFFAOYSA-N 0 0 479.554 4.351 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)NCc1ccccc1Cl)n2CC ZINC000006147765 520812471 /nfs/dbraw/zinc/81/24/71/520812471.db2.gz MRKPPRDTDZHSQG-UHFFFAOYSA-N 0 0 495.070 4.149 50 0 JIAARN CCOc1ccc(-c2nc(CN3CCN(C(=O)Nc4cc(OC)ccc4OC)CC3)c(C)o2)cc1 ZINC000033085225 520814976 /nfs/dbraw/zinc/81/49/76/520814976.db2.gz QFVBAEAVTDBDMC-UHFFFAOYSA-N 0 0 480.565 4.416 50 0 JIAARN CCOc1ccc(-n2ccn3c(C[C@@H](C)CC(=O)Nc4cc(C)cc(C)c4)nnc3c2=O)cc1 ZINC000046005681 520837456 /nfs/dbraw/zinc/83/74/56/520837456.db2.gz 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CCN(CC)c1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)c(C)c1 ZINC000004762945 520917990 /nfs/dbraw/zinc/91/79/90/520917990.db2.gz KEZBMKMDMWWHKO-QFIPXVFZSA-N 0 0 471.648 4.431 50 0 JIAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2cccc(C)c2)S3)CC1 ZINC000020180019 520929581 /nfs/dbraw/zinc/92/95/81/520929581.db2.gz IJOCVOXNRBMQGE-HAHDFKILSA-N 0 0 479.602 4.455 50 0 JIAARN CCOc1ccc(CC(=O)NCCc2sc3nc(-c4ccc(OC)cc4)nn3c2C)cc1 ZINC000008601742 520935826 /nfs/dbraw/zinc/93/58/26/520935826.db2.gz IFYRIOPQDGBIFL-UHFFFAOYSA-N 0 0 450.564 4.075 50 0 JIAARN CCOc1ccc(CCNC(=O)C[S@](=O)Cc2nc(-c3ccc(C)cc3)oc2C)cc1OCC ZINC000008597555 520950761 /nfs/dbraw/zinc/95/07/61/520950761.db2.gz WECFZFSSEJYNNO-UMSFTDKQSA-N 0 0 484.618 4.363 50 0 JIAARN CC1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)cs3)C2)CC1 ZINC000033279498 520951232 /nfs/dbraw/zinc/95/12/32/520951232.db2.gz LBCSSNISONSOFO-RMXPPQQLSA-N 0 0 492.667 4.161 50 0 JIAARN CCOC(=O)N1CCN(c2ccc(C(=O)c3ccc(OC)c(Br)c3)cc2F)CC1 ZINC000015686395 520962115 /nfs/dbraw/zinc/96/21/15/520962115.db2.gz SWLXOHLGHVFOLI-UHFFFAOYSA-N 0 0 465.319 4.106 50 0 JIAARN CCOc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021811921 521038911 /nfs/dbraw/zinc/03/89/11/521038911.db2.gz YWZQZGRQYNPSOY-AREMUKBSSA-N 0 0 462.550 4.410 50 0 JIAARN CCOc1ccc(NC(=O)COc2ccc(C(=O)N(C)CCOc3ccccc3)cc2OC)cc1 ZINC000018072894 521065311 /nfs/dbraw/zinc/06/53/11/521065311.db2.gz HIGHKJUSRKGZBF-UHFFFAOYSA-N 0 0 478.545 4.262 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nnc3ccc(C(=O)Nc4cccc(F)c4)cn32)cc1 ZINC000033284375 521068961 /nfs/dbraw/zinc/06/89/61/521068961.db2.gz UIXFHQKQEKACAX-UHFFFAOYSA-N 0 0 465.510 4.250 50 0 JIAARN CCOc1ccc(NC(=O)Cn2c(=O)cc(-c3nc(-c4ccccn4)no3)c3ccccc32)cc1 ZINC000067318489 521073646 /nfs/dbraw/zinc/07/36/46/521073646.db2.gz LCTFMPNOVUTDRM-UHFFFAOYSA-N 0 0 467.485 4.151 50 0 JIAARN CCOc1ccc(NC(=O)Cn2nc(SC)c(-c3nc(-c4cccc(C)c4)no3)c2N)cc1 ZINC000046914655 521077844 /nfs/dbraw/zinc/07/78/44/521077844.db2.gz JLKFCAOGQXDMCA-UHFFFAOYSA-N 0 0 464.551 4.250 50 0 JIAARN CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)NC[C@H](C)c3ccccc3)c3ccccc32)cc1 ZINC000064971696 521079873 /nfs/dbraw/zinc/07/98/73/521079873.db2.gz GCSSKNWONJHXLV-FQEVSTJZSA-N 0 0 486.572 4.390 50 0 JIAARN CCC(=O)N(C)[C@@H](Cc1ccc(F)cc1F)C1CCN(C(=O)[C@H]2CC(=O)OC23CCCCC3)CC1 ZINC000014887007 521083173 /nfs/dbraw/zinc/08/31/73/521083173.db2.gz IAOKYAFNEXGWRU-GGAORHGYSA-N 0 0 490.591 4.249 50 0 JIAARN CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)sc1C ZINC000046141484 521102014 /nfs/dbraw/zinc/10/20/14/521102014.db2.gz RTKDDOATQZDDER-INIZCTEOSA-N 0 0 479.555 4.019 50 0 JIAARN CCOc1ccc(NC(=O)[C@H](C)n2nc(C)c3nn(-c4ccccc4)c(-n4cccc4)c3c2=O)cc1 ZINC000033267348 521109636 /nfs/dbraw/zinc/10/96/36/521109636.db2.gz IIFOICFCBBPMCV-IBGZPJMESA-N 0 0 482.544 4.280 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)sc2C)C1 ZINC000046141335 521117406 /nfs/dbraw/zinc/11/74/06/521117406.db2.gz ICIBSRKQOTVPRT-OAHLLOKOSA-N 0 0 496.010 4.391 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(-c3nc(-c4ccccc4)cs3)n(C)c2C)C1 ZINC000065008699 521118282 /nfs/dbraw/zinc/11/82/82/521118282.db2.gz SLMGNCHVEIHSOU-GOSISDBHSA-N 0 0 473.620 4.088 50 0 JIAARN CCOc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000014122230 521118506 /nfs/dbraw/zinc/11/85/06/521118506.db2.gz ORGAZVRZCLLMSR-UHFFFAOYSA-N 0 0 458.367 4.214 50 0 JIAARN CCC(=O)N1CCN(c2ccc(NC(=O)c3cc(Br)cc(C)c3OC)cc2)CC1 ZINC000016361307 521124404 /nfs/dbraw/zinc/12/44/04/521124404.db2.gz GVKUVILUOVQGSJ-UHFFFAOYSA-N 0 0 460.372 4.077 50 0 JIAARN CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)s1 ZINC000008637212 521151586 /nfs/dbraw/zinc/15/15/86/521151586.db2.gz JVUXNOPMPBRDMT-UHFFFAOYSA-N 0 0 485.553 4.412 50 0 JIAARN CCCC[C@H](CC)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)C1 ZINC000034900191 521155603 /nfs/dbraw/zinc/15/56/03/521155603.db2.gz DSAQGWQOTJQBAT-NAMDQGSHSA-N 0 0 473.633 4.438 50 0 JIAARN CCOc1ccc(Oc2cc3c(cc2NC(=O)c2cccc(Cl)c2)n(C)c(=O)c(=O)n3C)cc1 ZINC000033265726 521181503 /nfs/dbraw/zinc/18/15/03/521181503.db2.gz VXYFBYYOAYFFPT-UHFFFAOYSA-N 0 0 479.920 4.334 50 0 JIAARN CCC(=O)Nc1cc2nc(Cc3ccccc3)n(C)c2c(C(=O)N(C)CCn2nc(C)cc2C)c1 ZINC000012242563 521197988 /nfs/dbraw/zinc/19/79/88/521197988.db2.gz HJKXCVNDVWLISD-UHFFFAOYSA-N 0 0 472.593 4.098 50 0 JIAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(Br)cc3)co2)s1 ZINC000016047778 521231787 /nfs/dbraw/zinc/23/17/87/521231787.db2.gz ORMHOCZAUKTTKT-UHFFFAOYSA-N 0 0 496.364 4.114 50 0 JIAARN CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nncs2)cc1OC ZINC000002431566 521248119 /nfs/dbraw/zinc/24/81/19/521248119.db2.gz BZOBMOICMKABDU-GOSISDBHSA-N 0 0 469.906 4.455 50 0 JIAARN CCC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000016045306 521248406 /nfs/dbraw/zinc/24/84/06/521248406.db2.gz CIHFGOGZNRCDQB-UHFFFAOYSA-N 0 0 464.971 4.125 50 0 JIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc(NC(=O)C(C)C)cc3nc(C)n(Cc4ccccc4)c32)C1 ZINC000014972435 521293575 /nfs/dbraw/zinc/29/35/75/521293575.db2.gz JDCPEAFVIAPQEG-NRFANRHFSA-N 0 0 490.604 4.403 50 0 JIAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cc(OC)c(O)c(OC)c3)sc2c1 ZINC000033088244 521296369 /nfs/dbraw/zinc/29/63/69/521296369.db2.gz VVKCSMISPVATSS-OAHLLOKOSA-N 0 0 480.546 4.386 50 0 JIAARN CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(C)cc2)CC1 ZINC000008610217 521310925 /nfs/dbraw/zinc/31/09/25/521310925.db2.gz IKGGTTOVXUIAGU-VAWYXSNFSA-N 0 0 459.612 4.167 50 0 JIAARN CCC[C@]1(C2CCN(C(=O)c3cccnc3SC)CC2)NC(=O)N(CCc2cccs2)C1=O ZINC000012205001 521314525 /nfs/dbraw/zinc/31/45/25/521314525.db2.gz KOBNCMIUDGQUAW-XMMPIXPASA-N 0 0 486.663 4.051 50 0 JIAARN CCOc1cccc(-c2noc(Cn3cnc4c(cnn4-c4cc(Cl)ccc4C)c3=O)n2)c1 ZINC000033293092 521315608 /nfs/dbraw/zinc/31/56/08/521315608.db2.gz INMJMQOSDYVAQE-UHFFFAOYSA-N 0 0 462.897 4.041 50 0 JIAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCc1ccccc1Br ZINC000067238526 521358049 /nfs/dbraw/zinc/35/80/49/521358049.db2.gz HFNWBSWADRCSDX-UHFFFAOYSA-N 0 0 463.401 4.004 50 0 JIAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CSc1nc(C)cc(=O)[nH]1 ZINC000012484241 521372750 /nfs/dbraw/zinc/37/27/50/521372750.db2.gz ZRQMAHWWLUAAOY-UHFFFAOYSA-N 0 0 463.968 4.368 50 0 aggregator JIAARN CCCCn1c2ccc(S(=O)(=O)N(CC)CC)cc2nc1SCC(=O)Nc1nccs1 ZINC000040159049 521373188 /nfs/dbraw/zinc/37/31/88/521373188.db2.gz ACAHYLAXBYKAKJ-UHFFFAOYSA-N 0 0 481.669 4.054 50 0 JIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000006131315 521374693 /nfs/dbraw/zinc/37/46/93/521374693.db2.gz UFDXAPZUWJMTTP-UHFFFAOYSA-N 0 0 468.604 4.368 50 0 JIAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc32)cc1 ZINC000044273011 521375060 /nfs/dbraw/zinc/37/50/60/521375060.db2.gz FWKWYQKNKMZZCM-UHFFFAOYSA-N 0 0 452.561 4.154 50 0 JIAARN CCCc1cc(Sc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)n2ncnc2n1 ZINC000033276031 521386035 /nfs/dbraw/zinc/38/60/35/521386035.db2.gz UJLVNNROUDPXST-UHFFFAOYSA-N 0 0 455.565 4.037 50 0 JIAARN 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/nfs/dbraw/zinc/71/55/40/553715540.db2.gz AHYWMVDWFCUBKJ-JOCHJYFZSA-N 0 0 489.977 4.152 50 0 JIAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1 ZINC000000646548 553727676 /nfs/dbraw/zinc/72/76/76/553727676.db2.gz ACLIIJBCHHMOQY-UHFFFAOYSA-N 0 0 495.435 4.059 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 ZINC000000651175 553732625 /nfs/dbraw/zinc/73/26/25/553732625.db2.gz QDCSVEMQYDXWQJ-UHFFFAOYSA-N 0 0 473.554 4.352 50 0 JIAARN COc1ccc(OC)c(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000000652509 553733385 /nfs/dbraw/zinc/73/33/85/553733385.db2.gz RWRZJJJWCPYBCQ-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN COc1ccc(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000000652305 553733391 /nfs/dbraw/zinc/73/33/91/553733391.db2.gz CLSHHXNEPQXJOB-UHFFFAOYSA-N 0 0 454.548 4.155 50 0 JIAARN CCOc1ccc(N(CC(=O)Nc2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000652335 553733413 /nfs/dbraw/zinc/73/34/13/553733413.db2.gz VGIOPJQBFYWQLX-UHFFFAOYSA-N 0 0 484.574 4.245 50 0 JIAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N1CCCCCC1 ZINC000000654612 553735295 /nfs/dbraw/zinc/73/52/95/553735295.db2.gz CLBSULJBGZYOFD-UHFFFAOYSA-N 0 0 465.413 4.043 50 0 JIAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)Cc4cn(C)nc4C)cc3n2)s1 ZINC000000655479 553735827 /nfs/dbraw/zinc/73/58/27/553735827.db2.gz KUPKIQNBCCEQCZ-UHFFFAOYSA-N 0 0 462.501 4.353 50 0 JIAARN COc1ccc(CNC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCC4)cc1OC ZINC000000664026 553740760 /nfs/dbraw/zinc/74/07/60/553740760.db2.gz JNSMHVKGXNYEHF-UHFFFAOYSA-N 0 0 451.470 4.333 50 0 JIAARN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1)c1ccccc1 ZINC000000666079 553742359 /nfs/dbraw/zinc/74/23/59/553742359.db2.gz JETUNRTYYMFZRM-GOSISDBHSA-N 0 0 466.559 4.069 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000675610 553749612 /nfs/dbraw/zinc/74/96/12/553749612.db2.gz STYXWWGTRYGQKR-UHFFFAOYSA-N 0 0 460.408 4.151 50 0 JIAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3n2)cc1 ZINC000000678757 553752041 /nfs/dbraw/zinc/75/20/41/553752041.db2.gz VZMZIWINMCJWNC-UHFFFAOYSA-N 0 0 462.506 4.406 50 0 JIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Oc2ccc(I)cc2)CC1 ZINC000000689017 553758601 /nfs/dbraw/zinc/75/86/01/553758601.db2.gz LOVLTKNEWMIZDI-OAHLLOKOSA-N 0 0 484.765 4.369 50 0 JIAARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)ccc1OCc1ccccc1 ZINC000000703577 553762777 /nfs/dbraw/zinc/76/27/77/553762777.db2.gz YTQHVPIZJVEYDI-XMMPIXPASA-N 0 0 468.517 4.188 50 0 JIAARN CN(C[C@@H](COc1ccccc1)OC(=O)c1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc21 ZINC000000707736 553764600 /nfs/dbraw/zinc/76/46/00/553764600.db2.gz BFJBVTRDFMBLND-FQEVSTJZSA-N 0 0 484.961 4.025 50 0 JIAARN COc1ccc(/N=c2\scc(-c3ccc(I)cc3)n2CCO)cc1 ZINC000000708373 553764920 /nfs/dbraw/zinc/76/49/20/553764920.db2.gz IWGUZNZYHDDRQH-ZZEZOPTASA-N 0 0 452.317 4.055 50 0 JIAARN O=C(N(CN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccccc1)C(F)(F)F ZINC000000712476 553767287 /nfs/dbraw/zinc/76/72/87/553767287.db2.gz NZBHOKDHSMFTFG-BWWMBTDCSA-N 0 0 476.454 4.432 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C(C)=O)c4ccccc4C3c3ccccc32)cc1 ZINC000000716626 553769037 /nfs/dbraw/zinc/76/90/37/553769037.db2.gz NOKGGHWKPMKNGM-OHTDUKGKSA-N 0 0 465.505 4.003 50 0 JIAARN Cc1c(NC(=O)CSc2nc(C)nc3sc4c(c32)CCCC4)c(=O)n(-c2ccccc2)n1C ZINC000000719360 553771225 /nfs/dbraw/zinc/77/12/25/553771225.db2.gz CLXILQKZBMDMHO-UHFFFAOYSA-N 0 0 479.631 4.407 50 0 JIAARN CCOC(=O)C1CCN(C(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)Cl)n3n2)CC1 ZINC000000720329 553771961 /nfs/dbraw/zinc/77/19/61/553771961.db2.gz HTZCSCVLIOJGQF-UHFFFAOYSA-N 0 0 468.913 4.161 50 0 JIAARN O=C1c2ccc(-c3ccc4c(c3)C(=O)N(c3ccccc3O)C4=O)cc2C(=O)N1c1ccccc1O ZINC000000754767 553777519 /nfs/dbraw/zinc/77/75/19/553777519.db2.gz NZLUHGDRKIJYQJ-UHFFFAOYSA-N 0 0 476.444 4.366 50 0 JIAARN CCOC(=O)c1sc(NC(=O)[C@@H](CC)OC(=O)c2c3c(nc4ccccc42)CCC3)nc1C ZINC000000781746 553780255 /nfs/dbraw/zinc/78/02/55/553780255.db2.gz HYCMETSJNSALGS-GOSISDBHSA-N 0 0 467.547 4.239 50 0 JIAARN CCOC(=O)C1CCN(C(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000000785581 553781015 /nfs/dbraw/zinc/78/10/15/553781015.db2.gz JIOVUFGAUBXWMS-UHFFFAOYSA-N 0 0 486.634 4.115 50 0 JIAARN O=C(NC(c1ccccc1)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000000792012 553781808 /nfs/dbraw/zinc/78/18/08/553781808.db2.gz XECQTAXPEINDKX-UHFFFAOYSA-N 0 0 452.551 4.132 50 0 JIAARN COc1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000000821114 553786446 /nfs/dbraw/zinc/78/64/46/553786446.db2.gz LRZHLEZUNJFVJC-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1F ZINC000000833274 553791262 /nfs/dbraw/zinc/79/12/62/553791262.db2.gz HCYOWDHLYIUZKT-UHFFFAOYSA-N 0 0 463.328 4.422 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccc5c(c4)OCO5)c3n2)cc1OC ZINC000000845004 553795022 /nfs/dbraw/zinc/79/50/22/553795022.db2.gz ODDSSNPNHNSJPO-UHFFFAOYSA-N 0 0 486.406 4.413 50 0 JIAARN CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000000866301 553805592 /nfs/dbraw/zinc/80/55/92/553805592.db2.gz ZUBIKGGNRLKKGW-UHFFFAOYSA-N 0 0 459.564 4.492 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC ZINC000000879956 553816459 /nfs/dbraw/zinc/81/64/59/553816459.db2.gz BYKRBLYRQKWIHJ-HHHXNRCGSA-N 0 0 476.598 4.451 50 0 biogenic JIAARN COc1ccc(C)cc1NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000000880113 553817246 /nfs/dbraw/zinc/81/72/46/553817246.db2.gz RIWIHKGLDQFSPP-UHFFFAOYSA-N 0 0 454.548 4.155 50 0 JIAARN Cc1c(NCc2ccccc2NS(=O)(=O)c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000892350 553830032 /nfs/dbraw/zinc/83/00/32/553830032.db2.gz NPJUFYGJHKURJS-UHFFFAOYSA-N 0 0 462.575 4.206 50 0 JIAARN Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3cccc4ccccc43)n2C)n1 ZINC000000907037 553839365 /nfs/dbraw/zinc/83/93/65/553839365.db2.gz GNHGWJLIYBLVRY-UHFFFAOYSA-N 0 0 450.593 4.398 50 0 JIAARN Cc1cc(Cl)ccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000000912864 553841979 /nfs/dbraw/zinc/84/19/79/553841979.db2.gz VHUYDWFQIGKGNZ-UHFFFAOYSA-N 0 0 486.977 4.249 50 0 JIAARN NC(=O)c1c2c(sc1NC(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N3)CCC2 ZINC000000919717 553850960 /nfs/dbraw/zinc/85/09/60/553850960.db2.gz NCNIWAPIKKFPGN-HZMBPMFUSA-N 0 0 465.457 4.038 50 0 JIAARN O=C(CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)NCc1ccncc1 ZINC000000920087 553852383 /nfs/dbraw/zinc/85/23/83/553852383.db2.gz JZSJKDVXTKVZKV-UHFFFAOYSA-N 0 0 462.453 4.085 50 0 JIAARN O=S(=O)(c1ccc(I)cc1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000000936478 553873608 /nfs/dbraw/zinc/87/36/08/553873608.db2.gz ZXXJEMDYZCWJBB-UHFFFAOYSA-N 0 0 497.185 4.109 50 0 JIAARN COC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000000936854 553873921 /nfs/dbraw/zinc/87/39/21/553873921.db2.gz JVKSGIDDNXKZLH-IBGZPJMESA-N 0 0 485.338 4.090 50 0 JIAARN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1cccc(Cl)c1Cl ZINC000000941739 553877297 /nfs/dbraw/zinc/87/72/97/553877297.db2.gz VGWWKZYRKLBZPF-FQEVSTJZSA-N 0 0 497.334 4.383 50 0 JIAARN CCNS(=O)(=O)c1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2c1 ZINC000000950365 553880987 /nfs/dbraw/zinc/88/09/87/553880987.db2.gz FYEROUZVVUTRET-UHFFFAOYSA-N 0 0 451.573 4.365 50 0 JIAARN CCc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000000950540 553881288 /nfs/dbraw/zinc/88/12/88/553881288.db2.gz NCMFCHMTHWLBEH-UHFFFAOYSA-N 0 0 462.889 4.499 50 0 JIAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1C[C@H]1CCCO1 ZINC000000953981 553882683 /nfs/dbraw/zinc/88/26/83/553882683.db2.gz XWOAKFYVXMTWJJ-CLOONOSVSA-N 0 0 473.554 4.399 50 0 JIAARN CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000000955823 553883713 /nfs/dbraw/zinc/88/37/13/553883713.db2.gz DOBMYDSQHOFKLE-OAQYLSRUSA-N 0 0 454.914 4.371 50 0 JIAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000956411 553884241 /nfs/dbraw/zinc/88/42/41/553884241.db2.gz IFOCYZWVGPNKEK-QFIPXVFZSA-N 0 0 495.560 4.360 50 0 JIAARN CCCN(CCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000986417 553893505 /nfs/dbraw/zinc/89/35/05/553893505.db2.gz QPHHPKDNQVSMMV-UHFFFAOYSA-N 0 0 475.430 4.061 50 0 JIAARN CCN(CC)c1nc(Oc2ccccc2C#N)nc(Oc2ccccc2/C(=C/OC)C(=O)OC)n1 ZINC000001008772 553899511 /nfs/dbraw/zinc/89/95/11/553899511.db2.gz MCWOIEYEQYTAPR-MNDPQUGUSA-N 0 0 475.505 4.334 50 0 JIAARN CC(C)c1cc(I)ccc1NC(=O)CSc1nnnn1-c1ccccc1 ZINC000001105659 553908756 /nfs/dbraw/zinc/90/87/56/553908756.db2.gz HAFCIYKBJDFNLV-UHFFFAOYSA-N 0 0 479.347 4.121 50 0 JIAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C(C)C)c1 ZINC000001217511 553933586 /nfs/dbraw/zinc/93/35/86/553933586.db2.gz FJMAVYXGXRQFCC-UHFFFAOYSA-N 0 0 452.642 4.183 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1Br ZINC000001218329 553934160 /nfs/dbraw/zinc/93/41/60/553934160.db2.gz NOGVMHGHECYNAS-KRWDZBQOSA-N 0 0 450.720 4.378 50 0 JIAARN COc1cc([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)OC3)cc(OC)c1OC ZINC000001429638 553970256 /nfs/dbraw/zinc/97/02/56/553970256.db2.gz LAFLNXNKBAZDRB-HNNXBMFYSA-N 0 0 463.408 4.063 50 0 JIAARN COc1ccccc1NC1=C(Sc2nc(C)cc(C)n2)C(=O)N(CCc2ccccc2)C1=O ZINC000001785645 553989608 /nfs/dbraw/zinc/98/96/08/553989608.db2.gz FHZOARXRGOCNDU-UHFFFAOYSA-N 0 0 460.559 4.129 50 0 JIAARN Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1 ZINC000001895776 554001019 /nfs/dbraw/zinc/00/10/19/554001019.db2.gz FCRRSPLLAJNBRY-UHFFFAOYSA-N 0 0 471.589 4.218 50 0 JIAARN CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000002079185 554025530 /nfs/dbraw/zinc/02/55/30/554025530.db2.gz QCWYUXPSKBSCMZ-SFHVURJKSA-N 0 0 497.183 4.392 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Oc2cc(C)cc3oc(=O)c(C)c(C)c23)cc1 ZINC000002092579 554036252 /nfs/dbraw/zinc/03/62/52/554036252.db2.gz DTBMEQQJDRPIRB-HXUWFJFHSA-N 0 0 471.575 4.325 50 0 JIAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1C ZINC000002094269 554038105 /nfs/dbraw/zinc/03/81/05/554038105.db2.gz SYLFMCPPXNXABU-OYHNWAKOSA-N 0 0 457.548 4.017 50 0 JIAARN CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(CCC)cc(=O)oc2c1 ZINC000002096360 554040869 /nfs/dbraw/zinc/04/08/69/554040869.db2.gz ODMHWMQBMGIMAY-JOCHJYFZSA-N 0 0 471.575 4.497 50 0 biogenic JIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(C)cc4)CC(=O)N23)c(OC)c1 ZINC000002104541 554045242 /nfs/dbraw/zinc/04/52/42/554045242.db2.gz LVNDIAWOFSZKDD-ABYGYWHVSA-N 0 0 495.579 4.379 50 0 biogenic JIAARN CC(C)OCCCN1CC(=O)N2[C@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002104860 554045595 /nfs/dbraw/zinc/04/55/95/554045595.db2.gz NHYPCBFCPWDXCT-WIOPSUGQSA-N 0 0 465.981 4.321 50 0 biogenic JIAARN COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4cccs4)CC(=O)N23)c1 ZINC000002108172 554047932 /nfs/dbraw/zinc/04/79/32/554047932.db2.gz WQPXCHMOIGUJHS-BKMJKUGQSA-N 0 0 487.581 4.132 50 0 biogenic JIAARN CCOC(=O)c1ccc(-c2coc3cc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)ccc3c2=O)o1 ZINC000002124331 554057684 /nfs/dbraw/zinc/05/76/84/554057684.db2.gz LBNUFSCUZUOCIX-CYBMUJFWSA-N 0 0 471.462 4.048 50 0 JIAARN COc1cccc2cc(-c3cc(=O)oc4c(C)c(OCC(=O)OC(C)C)ccc34)c(=O)oc21 ZINC000002132291 554060515 /nfs/dbraw/zinc/06/05/15/554060515.db2.gz LRQBGYUFIVRNQG-UHFFFAOYSA-N 0 0 450.443 4.214 50 0 biogenic JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1ccc(Cl)cc1)CCCC2 ZINC000002138900 554063559 /nfs/dbraw/zinc/06/35/59/554063559.db2.gz BPYRYIVQOQNERV-UHFFFAOYSA-N 0 0 477.999 4.164 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=S)NC(=O)c1ccc(OCC)c(Cl)c1 ZINC000002145446 554065941 /nfs/dbraw/zinc/06/59/41/554065941.db2.gz MUCKTCFDHUJMTA-UHFFFAOYSA-N 0 0 484.983 4.199 50 0 JIAARN CCOC(=O)C1=NN(c2ccc(Cl)cc2)C2=NC(C)=C(C(=O)OCC)[C@@H](c3ccccc3)N12 ZINC000002181288 554080291 /nfs/dbraw/zinc/08/02/91/554080291.db2.gz GUJAFHFTSNLAFJ-HXUWFJFHSA-N 0 0 466.925 4.287 50 0 JIAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc2-c2ccccn2)cc1 ZINC000002212110 554095670 /nfs/dbraw/zinc/09/56/70/554095670.db2.gz BRTLOLFSDMPHNF-UHFFFAOYSA-N 0 0 459.531 4.140 50 0 JIAARN CCOC(=O)c1c(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 ZINC000002212654 554096127 /nfs/dbraw/zinc/09/61/27/554096127.db2.gz IBRGCPLKSGIWEZ-GFCCVEGCSA-N 0 0 492.619 4.202 50 0 JIAARN COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)cc2)N2NC=NC2=N3)cc1 ZINC000002231588 554105663 /nfs/dbraw/zinc/10/56/63/554105663.db2.gz ZCPXEGOKYXYPQK-JWQCQUIFSA-N 0 0 466.497 4.286 50 0 JIAARN Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000002244941 554110867 /nfs/dbraw/zinc/11/08/67/554110867.db2.gz WGXGKZWGDJWQDR-VQIMIIECSA-N 0 0 453.963 4.079 50 0 JIAARN Cc1ccccc1-n1c2nnc(SCC(N)=O)n2c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002281236 554131201 /nfs/dbraw/zinc/13/12/01/554131201.db2.gz MTJKRGJMJWGTMV-UHFFFAOYSA-N 0 0 485.613 4.191 50 0 JIAARN COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000002304163 554141217 /nfs/dbraw/zinc/14/12/17/554141217.db2.gz NRIIBVMDBJLAMR-QKSFETHESA-N 0 0 499.567 4.022 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)c4ccccc34)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000002316222 554145765 /nfs/dbraw/zinc/14/57/65/554145765.db2.gz QGMDWXNRKHAYQL-RISWYLRJSA-N 0 0 499.636 4.413 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(C)cc2)c(OC)c1 ZINC000002341701 554156415 /nfs/dbraw/zinc/15/64/15/554156415.db2.gz WUYGPXQJFXIFSS-UHFFFAOYSA-N 0 0 461.547 4.386 50 0 JIAARN COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(Cl)cc1)C[C@@H](C)CC3 ZINC000002348920 554160550 /nfs/dbraw/zinc/16/05/50/554160550.db2.gz KFYVNVKDCGKQPL-NSHDSACASA-N 0 0 474.995 4.138 50 0 JIAARN CC1(C)SC(=S)N(Cc2ccc(F)cc2)[C@@H]1n1oc(=O)n(-c2cccc(Cl)c2)c1=O ZINC000002350956 554161237 /nfs/dbraw/zinc/16/12/37/554161237.db2.gz HADGFSAVVTXLHM-MRXNPFEDSA-N 0 0 465.959 4.196 50 0 JIAARN Cc1ccc(CN2c3ccccc3/C(=c3/sc4nc(-c5cccc(Cl)c5)nn4c3=O)C2=O)cc1 ZINC000002356094 554163986 /nfs/dbraw/zinc/16/39/86/554163986.db2.gz QIMSTXWLRUTZSH-DQRAZIAOSA-N 0 0 484.968 4.245 50 0 JIAARN C[C@@H](Cc1ccccc1)NC(=O)Cn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CCC3 ZINC000002387746 554178202 /nfs/dbraw/zinc/17/82/02/554178202.db2.gz WVGJWRBCXWQIBI-INIZCTEOSA-N 0 0 494.016 4.103 50 0 JIAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 ZINC000002411217 554192016 /nfs/dbraw/zinc/19/20/16/554192016.db2.gz XIUAXQQMRQNIPQ-UHFFFAOYSA-N 0 0 459.911 4.329 50 0 JIAARN COc1cc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)cc(OC)c1OC ZINC000002421516 554198741 /nfs/dbraw/zinc/19/87/41/554198741.db2.gz PNZBZUQRVZVSME-CQSZACIVSA-N 0 0 467.909 4.321 50 0 JIAARN CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3 ZINC000002427666 554202804 /nfs/dbraw/zinc/20/28/04/554202804.db2.gz WHVRWRDBBBCJOJ-OAQYLSRUSA-N 0 0 483.586 4.341 50 0 JIAARN COc1cccc(NC(=O)CSc2nnc(-c3cccc(OC)c3)n2Cc2ccco2)c1 ZINC000002453561 554220532 /nfs/dbraw/zinc/22/05/32/554220532.db2.gz BBALFUIDRWDAQI-UHFFFAOYSA-N 0 0 450.520 4.334 50 0 JIAARN O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(Br)cc1 ZINC000002459460 554223019 /nfs/dbraw/zinc/22/30/19/554223019.db2.gz HHKKFHLRVXNPFY-UHFFFAOYSA-N 0 0 474.405 4.374 50 0 JIAARN O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1)NC1CCCCC1 ZINC000002461071 554223318 /nfs/dbraw/zinc/22/33/18/554223318.db2.gz MDCVZCISHPOHMR-UHFFFAOYSA-N 0 0 464.540 4.448 50 0 JIAARN COc1ccc(O[C@@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000002485373 554226436 /nfs/dbraw/zinc/22/64/36/554226436.db2.gz LDWPLYUHCYRMSJ-UIOOFZCWSA-N 0 0 477.513 4.015 50 0 JIAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)OCc1ccccc1 ZINC000002496944 554228642 /nfs/dbraw/zinc/22/86/42/554228642.db2.gz HGCMWHIFCASRKX-UHFFFAOYSA-N 0 0 489.416 4.479 50 0 JIAARN O=C(CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000002601806 554240128 /nfs/dbraw/zinc/24/01/28/554240128.db2.gz MCGDAEGYHODHLL-KRWDZBQOSA-N 0 0 493.006 4.215 50 0 JIAARN CN(C)S(=O)(=O)c1cccc(-c2nnc(SCCOc3ccccc3)n2-c2ccc(F)cc2)c1 ZINC000002617687 554242303 /nfs/dbraw/zinc/24/23/03/554242303.db2.gz RZRAILAJLWKLBQ-UHFFFAOYSA-N 0 0 498.605 4.495 50 0 JIAARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(OC(F)(F)F)cc3)C2=O)cc1 ZINC000002620883 554245677 /nfs/dbraw/zinc/24/56/77/554245677.db2.gz JACFIFYJXNSVGJ-QFIPXVFZSA-N 0 0 463.456 4.288 50 0 JIAARN CCOc1ccccc1NC(=O)CSc1nnc([C@@H](CC)N(C)C)n1Cc1ccccc1 ZINC000002623561 554247753 /nfs/dbraw/zinc/24/77/53/554247753.db2.gz CYPUQNRGVYACOD-HXUWFJFHSA-N 0 0 453.612 4.469 50 0 JIAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)NCc1ccc(F)cc1 ZINC000002624575 554248443 /nfs/dbraw/zinc/24/84/43/554248443.db2.gz RWXWGLSSGDQSBU-UHFFFAOYSA-N 0 0 462.506 4.211 50 0 JIAARN Cc1cc(C(=O)COC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)n1Cc1ccco1 ZINC000002627435 554250666 /nfs/dbraw/zinc/25/06/66/554250666.db2.gz RGAGRWVYROTPID-UHFFFAOYSA-N 0 0 493.585 4.282 50 0 JIAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000002630463 554252878 /nfs/dbraw/zinc/25/28/78/554252878.db2.gz IMMVRSGFMOHYHU-UHFFFAOYSA-N 0 0 473.510 4.409 50 0 JIAARN COc1ccc(-n2c(SCCN3C(=O)c4ccccc4C3=O)nnc2-c2cccc(OC)c2)cc1 ZINC000002642456 554260891 /nfs/dbraw/zinc/26/08/91/554260891.db2.gz MMVYTMSZHKCELL-UHFFFAOYSA-N 0 0 486.553 4.340 50 0 JIAARN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)NCCc1ccc(Cl)cc1 ZINC000002644411 554262434 /nfs/dbraw/zinc/26/24/34/554262434.db2.gz PWSLVCIKWBPLTM-UHFFFAOYSA-N 0 0 451.777 4.339 50 0 JIAARN COc1cccc(-n2c(SCC(=O)c3c(OC)cc(OC)cc3OC)nc3ccccc3c2=O)c1 ZINC000002645456 554263252 /nfs/dbraw/zinc/26/32/52/554263252.db2.gz QHISBKPKMSEYCM-UHFFFAOYSA-N 0 0 492.553 4.395 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)Nc2cccc3ccccc32)C(C)C)c1 ZINC000002653661 554269651 /nfs/dbraw/zinc/26/96/51/554269651.db2.gz XGPMRPLANZYLFX-DEOSSOPVSA-N 0 0 481.618 4.263 50 0 JIAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)OCC(=O)Nc1ccc(Cl)cc1F ZINC000002656646 554271949 /nfs/dbraw/zinc/27/19/49/554271949.db2.gz MOZVTNQWIHPCBN-KPKJPENVSA-N 0 0 494.972 4.239 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000002662109 554275297 /nfs/dbraw/zinc/27/52/97/554275297.db2.gz RBSPYUOITYSWLW-UHFFFAOYSA-N 0 0 472.501 4.096 50 0 JIAARN CC(=O)c1ccc(NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@H]32)cc1 ZINC000002674107 554280214 /nfs/dbraw/zinc/28/02/14/554280214.db2.gz ZHJKSDQAMNNVAL-AQKHVRLOSA-N 0 0 471.550 4.073 50 0 JIAARN COCCNC(=O)/C(=C/c1ccc(-c2cccc(Cl)c2)o1)NC(=O)c1ccc(OC)cc1 ZINC000002677888 554280570 /nfs/dbraw/zinc/28/05/70/554280570.db2.gz IUWAQOLPSFKYJO-QNGOZBTKSA-N 0 0 454.910 4.142 50 0 JIAARN O=C(Cn1c2sc3c(c2c(=O)n(CCc2ccccc2)c1=O)CCCC3)Nc1ccc(F)c(F)c1 ZINC000002686494 554283199 /nfs/dbraw/zinc/28/31/99/554283199.db2.gz OISOWQARNWRUNX-UHFFFAOYSA-N 0 0 495.551 4.263 50 0 JIAARN COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 ZINC000002688530 554284497 /nfs/dbraw/zinc/28/44/97/554284497.db2.gz DTEDXONLVMIJCM-UHFFFAOYSA-N 0 0 478.451 4.167 50 0 JIAARN CCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1cccc(OC)c1 ZINC000002691008 554286470 /nfs/dbraw/zinc/28/64/70/554286470.db2.gz QHZVIIJKUIJRHD-UHFFFAOYSA-N 0 0 476.554 4.044 50 0 JIAARN Cc1ccc(C)c(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc(F)ccc32)c1 ZINC000002691051 554286509 /nfs/dbraw/zinc/28/65/09/554286509.db2.gz PBTDNLGNEHYSSJ-UHFFFAOYSA-N 0 0 464.518 4.229 50 0 JIAARN CCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(OC)cc1 ZINC000002691422 554287035 /nfs/dbraw/zinc/28/70/35/554287035.db2.gz UWNSESYVLBCXNB-UHFFFAOYSA-N 0 0 494.544 4.183 50 0 JIAARN COc1cc2c(cc1OC)n(Cc1ccc(F)cc1)cc(S(=O)(=O)c1ccc(C)cc1)c2=O ZINC000002692553 554288918 /nfs/dbraw/zinc/28/89/18/554288918.db2.gz YRYKKKNCFZUFNG-UHFFFAOYSA-N 0 0 467.518 4.347 50 0 JIAARN COc1ccc(C(=O)c2cnc3ccc(OC)cc3c2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000002692674 554289243 /nfs/dbraw/zinc/28/92/43/554289243.db2.gz BGYZVLQKWXGQPN-UHFFFAOYSA-N 0 0 463.511 4.324 50 0 JIAARN Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3cc(C)ccc3C)c3ccccc3c2=O)cc1 ZINC000002693082 554289386 /nfs/dbraw/zinc/28/93/86/554289386.db2.gz IDUZJRIUBLLFPY-UHFFFAOYSA-N 0 0 460.555 4.398 50 0 JIAARN COc1cc(Nc2nc3c(S(=O)(=O)c4ccc(C)c(C)c4)nnn3c3ccccc23)cc(OC)c1 ZINC000002693324 554290357 /nfs/dbraw/zinc/29/03/57/554290357.db2.gz ACNBWGFMFKOPEN-UHFFFAOYSA-N 0 0 489.557 4.488 50 0 JIAARN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2c3ccccc3oc2C(N)=O)cc1 ZINC000002699317 554293788 /nfs/dbraw/zinc/29/37/88/554293788.db2.gz IJDONWJAIFAKQL-UHFFFAOYSA-N 0 0 471.579 4.087 50 0 JIAARN O=C(CN1C(=O)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc21)NCCC1=CCCCC1 ZINC000002699228 554293860 /nfs/dbraw/zinc/29/38/60/554293860.db2.gz VHZFUGREOHNXRC-UHFFFAOYSA-N 0 0 473.982 4.482 50 0 JIAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccc(OCc4ccccc4)c(OC)c3)N2C1=O ZINC000002701058 554294313 /nfs/dbraw/zinc/29/43/13/554294313.db2.gz YYINBVZKMFWTMH-RBBKRZOGSA-N 0 0 466.559 4.486 50 0 JIAARN COc1cc(Br)cc2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c(=O)oc21 ZINC000002707877 554296727 /nfs/dbraw/zinc/29/67/27/554296727.db2.gz SJMKIKLFCPNXKN-UHFFFAOYSA-N 0 0 471.351 4.143 50 0 JIAARN COc1ccccc1-n1c(=O)c2c(nc1SCC(=O)Nc1cccc(Cl)c1)CCS2 ZINC000002719845 554304857 /nfs/dbraw/zinc/30/48/57/554304857.db2.gz MPUQPSGWNIRWDX-UHFFFAOYSA-N 0 0 459.980 4.274 50 0 JIAARN COc1cccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCC(=O)Nc2nccs2)c1 ZINC000002720737 554306117 /nfs/dbraw/zinc/30/61/17/554306117.db2.gz MZAXPTBWRQXGNW-UHFFFAOYSA-N 0 0 463.544 4.063 50 0 JIAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 ZINC000002723566 554309496 /nfs/dbraw/zinc/30/94/96/554309496.db2.gz UYQMLBMFMRPLCL-UHFFFAOYSA-N 0 0 468.560 4.261 50 0 JIAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1N1C(=S)N=NC1[C@@H](C)Cn1cc(Br)cn1 ZINC000002732910 554316998 /nfs/dbraw/zinc/31/69/98/554316998.db2.gz FVRQJNCLNLQVQJ-AWEZNQCLSA-N 0 0 486.443 4.489 50 0 JIAARN CC[C@@H]1CCc2c(sc(NC(=O)[C@]3(C)CC3(Br)Br)c2C(N)=O)C1 ZINC000002764268 554332990 /nfs/dbraw/zinc/33/29/90/554332990.db2.gz WSENSBSUNGSQIX-GLEZIHRCSA-N 0 0 464.223 4.197 50 0 JIAARN COC(=O)c1ccc(C(=O)Nc2nc3ccc(NC(=O)c4ccc(C(=O)OC)cc4)cc3s2)cc1 ZINC000002765632 554333337 /nfs/dbraw/zinc/33/33/37/554333337.db2.gz KLSMLYJGDDJZRA-UHFFFAOYSA-N 0 0 489.509 4.374 50 0 JIAARN CCCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)c1cc(Br)cs1 ZINC000002780433 554341853 /nfs/dbraw/zinc/34/18/53/554341853.db2.gz KOQORGITUDCAPW-UHFFFAOYSA-N 0 0 459.387 4.401 50 0 JIAARN O=C(NCc1ccc(-n2cccn2)cc1)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000002801206 554353317 /nfs/dbraw/zinc/35/33/17/554353317.db2.gz CSIVHVVTSDOVED-UHFFFAOYSA-N 0 0 452.396 4.124 50 0 JIAARN Cc1c(Br)c(C(F)(F)F)nn1CC1N=NC(=S)N1c1cnn(Cc2ccccc2)c1 ZINC000002808269 554358210 /nfs/dbraw/zinc/35/82/10/554358210.db2.gz PWFYPYBSTHWRAT-UHFFFAOYSA-N 0 0 498.332 4.135 50 0 JIAARN Cc1nn(CC2N=NC(=S)N2c2cnn(Cc3ccc(Cl)cc3Cl)c2)cc1Cl ZINC000002808298 554358221 /nfs/dbraw/zinc/35/82/21/554358221.db2.gz QORKZXUUYJKFTC-UHFFFAOYSA-N 0 0 454.774 4.314 50 0 JIAARN CC[C@H](C1N=NC(=S)N1c1cnn(Cc2ccc(C)cc2)c1)n1cc(Br)cn1 ZINC000002809689 554359925 /nfs/dbraw/zinc/35/99/25/554359925.db2.gz OFPVLWGTSOIFJT-QGZVFWFLSA-N 0 0 458.389 4.068 50 0 JIAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)NCCOc1ccccc1 ZINC000002812319 554360843 /nfs/dbraw/zinc/36/08/43/554360843.db2.gz ACLGKOIUDALZNO-UHFFFAOYSA-N 0 0 477.611 4.223 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000002812995 554361194 /nfs/dbraw/zinc/36/11/94/554361194.db2.gz TXUZZXSTHQERTG-SFHVURJKSA-N 0 0 482.558 4.449 50 0 JIAARN Cc1ccc(N(CC(=O)NCCSCc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1C ZINC000002814928 554362106 /nfs/dbraw/zinc/36/21/06/554362106.db2.gz QLXMTTRBNVOGIK-UHFFFAOYSA-N 0 0 475.463 4.426 50 0 JIAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCSc1ccccc1 ZINC000002815266 554362471 /nfs/dbraw/zinc/36/24/71/554362471.db2.gz PBLZYALQKZYAGZ-UHFFFAOYSA-N 0 0 461.008 4.444 50 0 JIAARN Cc1ccc(C)c(N(CC(=O)NCCSCc2c(Cl)cccc2Cl)S(C)(=O)=O)c1 ZINC000002818360 554363694 /nfs/dbraw/zinc/36/36/94/554363694.db2.gz DGKLWESOLMZTKU-UHFFFAOYSA-N 0 0 475.463 4.426 50 0 JIAARN O=C(NN1C(=O)c2cccc3c(Cl)ccc(c32)C1=O)C1(O)c2ccccc2-c2ccccc21 ZINC000002848490 554377396 /nfs/dbraw/zinc/37/73/96/554377396.db2.gz CYOKGUBDBSXTDY-UHFFFAOYSA-N 0 0 454.869 4.037 50 0 JIAARN COc1ccc(O[C@@H]2C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000002849620 554377879 /nfs/dbraw/zinc/37/78/79/554377879.db2.gz OYFLOFYTGNQJKM-ZCYQVOJMSA-N 0 0 467.493 4.391 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1I ZINC000002866463 554392038 /nfs/dbraw/zinc/39/20/38/554392038.db2.gz VOWNSBIUCJMJHJ-UHFFFAOYSA-N 0 0 458.104 4.407 50 0 JIAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000002867080 554392636 /nfs/dbraw/zinc/39/26/36/554392636.db2.gz NUCRJTOSCRCUAQ-UHFFFAOYSA-N 0 0 488.411 4.281 50 0 JIAARN COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000002867849 554393288 /nfs/dbraw/zinc/39/32/88/554393288.db2.gz MXJHUZUWXVMULT-UHFFFAOYSA-N 0 0 489.509 4.138 50 0 JIAARN O=C(Nc1ccccc1OC(F)F)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000002869392 554394736 /nfs/dbraw/zinc/39/47/36/554394736.db2.gz FCEVYIRQEQZAHC-FQEVSTJZSA-N 0 0 476.476 4.181 50 0 JIAARN Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1C ZINC000002880140 554401994 /nfs/dbraw/zinc/40/19/94/554401994.db2.gz WFAKRZVQFAGJPY-UHFFFAOYSA-N 0 0 478.603 4.159 50 0 JIAARN Cc1ccccc1OCc1nnc(SCC(=O)Nc2c(F)cc(F)cc2Br)n1C ZINC000002880195 554402002 /nfs/dbraw/zinc/40/20/02/554402002.db2.gz KIHKJRIZCNCYIY-UHFFFAOYSA-N 0 0 483.338 4.474 50 0 JIAARN Cc1ccc(NC(=O)c2ccco2)c(NC(=O)COc2ccc(I)cc2)c1 ZINC000002880264 554402300 /nfs/dbraw/zinc/40/23/00/554402300.db2.gz TXDGPQHOYKCOQY-UHFFFAOYSA-N 0 0 476.270 4.462 50 0 JIAARN CCn1c(CCNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccccc1F ZINC000002881888 554404268 /nfs/dbraw/zinc/40/42/68/554404268.db2.gz CPGGUYUHGUHGAC-UHFFFAOYSA-N 0 0 496.395 4.447 50 0 JIAARN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)c1 ZINC000002884907 554405780 /nfs/dbraw/zinc/40/57/80/554405780.db2.gz FIVIJKPZGNMZIG-OAHLLOKOSA-N 0 0 455.363 4.235 50 0 JIAARN Cc1cc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)ccc1Br ZINC000002884997 554406145 /nfs/dbraw/zinc/40/61/45/554406145.db2.gz BSENQUZTHWKFEZ-UHFFFAOYSA-N 0 0 465.291 4.181 50 0 JIAARN CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1[C@H](C)NC(=O)c1ccccc1F ZINC000002887563 554407019 /nfs/dbraw/zinc/40/70/19/554407019.db2.gz UFSNAOOYXJWPCO-ZDUSSCGKSA-N 0 0 484.582 4.269 50 0 JIAARN COc1cccc2cc(-c3csc(NC(=O)CCC(=O)NC4CCCCCC4)n3)c(=O)oc21 ZINC000002956289 554413373 /nfs/dbraw/zinc/41/33/73/554413373.db2.gz LIRBOQSPXIGVIH-UHFFFAOYSA-N 0 0 469.563 4.483 50 0 JIAARN COc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1OC ZINC000002979681 554417266 /nfs/dbraw/zinc/41/72/66/554417266.db2.gz HNCSIEMZEUSOJN-UHFFFAOYSA-N 0 0 467.938 4.218 50 0 JIAARN COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2cc(OC)ccc2OC)cc1 ZINC000003350060 554456203 /nfs/dbraw/zinc/45/62/03/554456203.db2.gz SGABOWBLRHMMON-UHFFFAOYSA-N 0 0 462.527 4.482 50 0 JIAARN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccc(F)cc2)c3=O)c1 ZINC000003632020 554468642 /nfs/dbraw/zinc/46/86/42/554468642.db2.gz HQLLPDRYZIPEOI-UHFFFAOYSA-N 0 0 451.479 4.083 50 0 JIAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3)CC2)cc1 ZINC000004122869 554475117 /nfs/dbraw/zinc/47/51/17/554475117.db2.gz YKNDVFPWZCPYNY-UHFFFAOYSA-N 0 0 472.614 4.013 50 0 aggregator JIAARN O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000004542340 554477976 /nfs/dbraw/zinc/47/79/76/554477976.db2.gz VWFCNEWJMRUJCG-UHFFFAOYSA-N 0 0 462.303 4.029 50 0 JIAARN COC(=O)c1ccccc1NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccccc1F ZINC000004799062 554481154 /nfs/dbraw/zinc/48/11/54/554481154.db2.gz YMRPJNHDTLDWTO-BJKOFHAPSA-N 0 0 492.503 4.179 50 0 JIAARN COc1ccc([C@H]2[C@@H](C(=O)NCc3ccccc3OC)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004799966 554481718 /nfs/dbraw/zinc/48/17/18/554481718.db2.gz WXQIONGWDUAREZ-OZXSUGGESA-N 0 0 460.530 4.123 50 0 JIAARN CN(C)c1ccc([P@@](=O)(Nc2ccccc2)N2CCOCC2)c(NC(=O)c2cccs2)c1 ZINC000006180447 554515659 /nfs/dbraw/zinc/51/56/59/554515659.db2.gz PSBAQABNTCUBRD-WJOKGBTCSA-N 0 0 470.535 4.329 50 0 JIAARN O=C(CSc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1)NC1CCCCC1 ZINC000006296863 554528380 /nfs/dbraw/zinc/52/83/80/554528380.db2.gz WLMLNACLDNOPSC-UHFFFAOYSA-N 0 0 464.012 4.468 50 0 JIAARN CCOc1cc(C)ccc1OCc1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1CC ZINC000006391989 554533087 /nfs/dbraw/zinc/53/30/87/554533087.db2.gz CLNJAHLXCPQZTR-UHFFFAOYSA-N 0 0 451.552 4.113 50 0 JIAARN COCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)n1 ZINC000006459870 554542108 /nfs/dbraw/zinc/54/21/08/554542108.db2.gz MTMFELUKTNVWSJ-UHFFFAOYSA-N 0 0 452.561 4.232 50 0 JIAARN COc1ccc(NC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccc(OC)cc2)cc1 ZINC000008387110 554570052 /nfs/dbraw/zinc/57/00/52/554570052.db2.gz QOXLVRHSAXODFO-PXLXIMEGSA-N 0 0 462.502 4.131 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000008424461 554579463 /nfs/dbraw/zinc/57/94/63/554579463.db2.gz WQUHMQWAWKHDAH-YSSBIZNGSA-N 0 0 490.606 4.022 50 0 JIAARN Cc1sc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3)n2C)nc1-c1ccccc1 ZINC000008442184 554591873 /nfs/dbraw/zinc/59/18/73/554591873.db2.gz JJOXDOFFHOJZER-UHFFFAOYSA-N 0 0 478.603 4.159 50 0 JIAARN CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(-c4cccc(Cl)c4)o3)c(=O)n12 ZINC000008455059 554599758 /nfs/dbraw/zinc/59/97/58/554599758.db2.gz STPVGLDMDGOINM-QUZDLKNESA-N 0 0 490.968 4.188 50 0 JIAARN CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n12 ZINC000008455158 554599786 /nfs/dbraw/zinc/59/97/86/554599786.db2.gz UFDHGFTWQFLHRQ-QUZDLKNESA-N 0 0 490.968 4.188 50 0 JIAARN O=C(COc1ccc(Cl)cc1Cl)NCCCNC(=O)COc1ccc(Cl)cc1Cl ZINC000008455685 554599908 /nfs/dbraw/zinc/59/99/08/554599908.db2.gz XYDJSNMYBXTEPB-UHFFFAOYSA-N 0 0 480.175 4.381 50 0 JIAARN C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1)c1ccccc1 ZINC000008744949 554648008 /nfs/dbraw/zinc/64/80/08/554648008.db2.gz RFQMLQJMMLEBDM-KRWDZBQOSA-N 0 0 452.532 4.140 50 0 JIAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)NC2CC2)c1)c1cccs1 ZINC000008745050 554648277 /nfs/dbraw/zinc/64/82/77/554648277.db2.gz ZEGANXCERIGEGN-JOCHJYFZSA-N 0 0 472.570 4.101 50 0 JIAARN Cc1nnc(SCC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)n1-c1cccc(C)c1 ZINC000008746067 554649284 /nfs/dbraw/zinc/64/92/84/554649284.db2.gz KZPLFEZOOLXUED-UHFFFAOYSA-N 0 0 475.574 4.162 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2C)cc1 ZINC000008754201 554655944 /nfs/dbraw/zinc/65/59/44/554655944.db2.gz LAYPANIASIXCMM-HXUWFJFHSA-N 0 0 472.632 4.476 50 0 JIAARN CCCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1ccc(Br)cc1 ZINC000008757122 554659533 /nfs/dbraw/zinc/65/95/33/554659533.db2.gz XMGUJBPYTYGZPH-UHFFFAOYSA-N 0 0 482.425 4.486 50 0 JIAARN CN(c1ccc(-c2csc(NC(=O)c3cccc(Br)c3)n2)cc1)S(C)(=O)=O ZINC000008762562 554662372 /nfs/dbraw/zinc/66/23/72/554662372.db2.gz IDTTYWZMPQVFBM-UHFFFAOYSA-N 0 0 466.382 4.221 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000008763763 554664204 /nfs/dbraw/zinc/66/42/04/554664204.db2.gz DWMVEDCFKZFTHX-SFHVURJKSA-N 0 0 458.399 4.293 50 0 JIAARN C[C@@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000008770120 554670582 /nfs/dbraw/zinc/67/05/82/554670582.db2.gz SFWJVCDSEYLGFP-QGZVFWFLSA-N 0 0 471.030 4.480 50 0 JIAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000008774515 554673381 /nfs/dbraw/zinc/67/33/81/554673381.db2.gz BDQMSTOKANDUKD-IBGZPJMESA-N 0 0 490.025 4.006 50 0 JIAARN C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008774698 554673461 /nfs/dbraw/zinc/67/34/61/554673461.db2.gz RFBPLZZVEFTOML-CYBMUJFWSA-N 0 0 498.051 4.090 50 0 aggregator JIAARN CCOc1ccccc1N1C[C@H](C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)CC1=O ZINC000008777418 554674647 /nfs/dbraw/zinc/67/46/47/554674647.db2.gz JYDGBPQXCBXOME-LJQANCHMSA-N 0 0 459.550 4.062 50 0 JIAARN COc1ccc(N2C(=O)CC[C@H](C(=O)N(C)c3cccc(OC)n3)[C@@H]2c2ccccc2OC)cc1 ZINC000008780536 554677548 /nfs/dbraw/zinc/67/75/48/554677548.db2.gz CNMACWVMEDCZRP-LVXARBLLSA-N 0 0 475.545 4.255 50 0 JIAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(CC(C)C)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008789553 554682102 /nfs/dbraw/zinc/68/21/02/554682102.db2.gz SVZSZACYYQDDAL-NGOKVRLYSA-N 0 0 475.589 4.263 50 0 biogenic JIAARN COCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C1=O ZINC000008790386 554683562 /nfs/dbraw/zinc/68/35/62/554683562.db2.gz HBHJWRBEHWGLCB-AZGAKELHSA-N 0 0 494.551 4.027 50 0 biogenic JIAARN COc1ccc(CCNC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H]3c4ccccc4C(=O)N32)cc1OC ZINC000008790835 554684041 /nfs/dbraw/zinc/68/40/41/554684041.db2.gz IVTJVYKVZBURTB-WNCULLNHSA-N 0 0 481.552 4.014 50 0 biogenic JIAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@@H](C)CC ZINC000008791605 554684681 /nfs/dbraw/zinc/68/46/81/554684681.db2.gz FQVNLDHNHVWMJG-SRDXSDNTSA-N 0 0 486.616 4.083 50 0 biogenic JIAARN COc1cc(C(=O)OCC(=O)Nc2ccccc2SC)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000008824230 554711160 /nfs/dbraw/zinc/71/11/60/554711160.db2.gz PPUSKXZYYNUVSV-UHFFFAOYSA-N 0 0 498.532 4.369 50 0 JIAARN O=C(OCCOc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000008825014 554712706 /nfs/dbraw/zinc/71/27/06/554712706.db2.gz XCOJRHWNJJFYFJ-UHFFFAOYSA-N 0 0 491.915 4.382 50 0 JIAARN C[C@H](Nc1cccc(-c2nc3ccccc3s2)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000008825100 554713062 /nfs/dbraw/zinc/71/30/62/554713062.db2.gz KVMLQLXNLGYTGT-AWEZNQCLSA-N 0 0 452.561 4.050 50 0 JIAARN O=C1c2ccccc2C(=O)N1CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1 ZINC000008825290 554713518 /nfs/dbraw/zinc/71/35/18/554713518.db2.gz IPBFYXZQTCZYFI-UHFFFAOYSA-N 0 0 496.342 4.146 50 0 JIAARN O=C1N(c2ccc(Br)cc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 ZINC000008828018 554718121 /nfs/dbraw/zinc/71/81/21/554718121.db2.gz PHFHLKYFMSQASY-HZPDHXFCSA-N 0 0 475.286 4.080 50 0 JIAARN COc1cc(Br)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc1OC ZINC000008843611 554740684 /nfs/dbraw/zinc/74/06/84/554740684.db2.gz PIHPAKLXRPKMQK-LJQANCHMSA-N 0 0 460.328 4.041 50 0 JIAARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCCC3)c2)o1)c1ccc(F)cc1 ZINC000008843957 554741151 /nfs/dbraw/zinc/74/11/51/554741151.db2.gz IHMKGFOBFVCCNT-UHFFFAOYSA-N 0 0 475.567 4.415 50 0 JIAARN CCOc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCCOC)ccc1O ZINC000008845174 554741815 /nfs/dbraw/zinc/74/18/15/554741815.db2.gz ICRBYCXZKBSFIO-QHCPKHFHSA-N 0 0 471.941 4.430 50 0 JIAARN COc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1OC ZINC000008845777 554743716 /nfs/dbraw/zinc/74/37/16/554743716.db2.gz QXTDLYOKQDPJDJ-VWLOTQADSA-N 0 0 456.502 4.248 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C)cc3)cs2)c1 ZINC000008850086 554747356 /nfs/dbraw/zinc/74/73/56/554747356.db2.gz QALYJSGQTIJOLT-UHFFFAOYSA-N 0 0 454.577 4.322 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccccc3C)cs2)cc1 ZINC000008850542 554747640 /nfs/dbraw/zinc/74/76/40/554747640.db2.gz KALHEHTWZDZRAD-UHFFFAOYSA-N 0 0 454.577 4.322 50 0 JIAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)N3CCN(c4ccc(F)cc4)CC3)cs2)cc1 ZINC000008852716 554749145 /nfs/dbraw/zinc/74/91/45/554749145.db2.gz NBLDLXNISTZZLG-UHFFFAOYSA-N 0 0 484.622 4.213 50 0 JIAARN CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(OCC)c2ccccc21)c1ccc(OC)cc1 ZINC000008856182 554752031 /nfs/dbraw/zinc/75/20/31/554752031.db2.gz PGGFESGOYWVFPO-OAQYLSRUSA-N 0 0 457.548 4.220 50 0 JIAARN O=C(CSc1n[nH]c(-c2ccncc2)n1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000008860897 554757459 /nfs/dbraw/zinc/75/74/59/554757459.db2.gz VNEVOLKGHQSHME-HNNXBMFYSA-N 0 0 452.590 4.460 50 0 JIAARN O=C(CSc1nnc(N2CCCC2)n1-c1ccccc1Cl)Nc1ccccc1C(=O)NC1CC1 ZINC000008861790 554759181 /nfs/dbraw/zinc/75/91/81/554759181.db2.gz ARJRQJZHSHOMMD-UHFFFAOYSA-N 0 0 497.024 4.144 50 0 JIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000008861853 554759318 /nfs/dbraw/zinc/75/93/18/554759318.db2.gz FIKIQOVKXULYBT-AWEZNQCLSA-N 0 0 462.506 4.028 50 0 JIAARN CC(C)=CCOc1ccc2c(C)c(CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(=O)oc2c1C ZINC000008877697 554773082 /nfs/dbraw/zinc/77/30/82/554773082.db2.gz OLZQIITXGLOYDE-RTWAWAEBSA-N 0 0 488.584 4.105 50 0 biogenic JIAARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000008878193 554773752 /nfs/dbraw/zinc/77/37/52/554773752.db2.gz MFAIFBCSBMFJKL-UHFFFAOYSA-N 0 0 487.350 4.341 50 0 JIAARN CCCN1c2ccc(Br)cc2[C@]2(C1=O)c1[nH]c3ccccc3c1CCN2C(C)=O ZINC000008878627 554774313 /nfs/dbraw/zinc/77/43/13/554774313.db2.gz IKHQMVAUFRDENE-HSZRJFAPSA-N 0 0 452.352 4.335 50 0 biogenic JIAARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000008879299 554774883 /nfs/dbraw/zinc/77/48/83/554774883.db2.gz BELXGVZACPCDQD-UHFFFAOYSA-N 0 0 471.307 4.191 50 0 JIAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)C1=O ZINC000008880410 554775832 /nfs/dbraw/zinc/77/58/32/554775832.db2.gz NSQHAZCLGMBPHY-CPJSRVTESA-N 0 0 476.920 4.078 50 0 JIAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)C1=O ZINC000008882936 554777813 /nfs/dbraw/zinc/77/78/13/554777813.db2.gz GVYQQSYTWJUMRC-UQBPGWFLSA-N 0 0 492.626 4.431 50 0 JIAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000008883718 554778444 /nfs/dbraw/zinc/77/84/44/554778444.db2.gz FJCKPVVYCSQZAU-SFHVURJKSA-N 0 0 472.847 4.175 50 0 JIAARN Cc1c(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)sc2[nH]c(C)nc(=O)c12 ZINC000008884123 554778668 /nfs/dbraw/zinc/77/86/68/554778668.db2.gz YXBPAAIFEJVYSY-UHFFFAOYSA-N 0 0 459.833 4.069 50 0 JIAARN COc1cc2nc(N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)sc(=N)c2cc1OC ZINC000008888042 554779364 /nfs/dbraw/zinc/77/93/64/554779364.db2.gz MSTVLNAQKHZDSP-UHFFFAOYSA-N 0 0 485.919 4.187 50 0 JIAARN CCN(c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)cc1)C(C)C ZINC000008888430 554779543 /nfs/dbraw/zinc/77/95/43/554779543.db2.gz SAAYFZKRXSUZHM-HSZRJFAPSA-N 0 0 487.398 4.090 50 0 JIAARN C[C@H](Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C(=O)Nc1ccccc1 ZINC000008895151 554784717 /nfs/dbraw/zinc/78/47/17/554784717.db2.gz LBZODFDCOHQQSL-KRWDZBQOSA-N 0 0 467.547 4.088 50 0 JIAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1)c1ccc2c(c1)CC(=O)N2 ZINC000008897805 554788284 /nfs/dbraw/zinc/78/82/84/554788284.db2.gz PMBSHXUIAQHPIG-SFHVURJKSA-N 0 0 468.966 4.247 50 0 JIAARN Cn1c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)nnc1-c1ccncc1 ZINC000008900186 554792117 /nfs/dbraw/zinc/79/21/17/554792117.db2.gz LAYDNJGFHGAREC-INIZCTEOSA-N 0 0 450.549 4.002 50 0 JIAARN Cc1nc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4F)CC3)ccc2n1C1CCCC1 ZINC000008912944 554804054 /nfs/dbraw/zinc/80/40/54/554804054.db2.gz SPHKUPBAUCXRCV-UHFFFAOYSA-N 0 0 498.624 4.316 50 0 JIAARN Cc1cc(O[C@H](C)C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000008916126 554810511 /nfs/dbraw/zinc/81/05/11/554810511.db2.gz OCQROWCOBGKSMM-APWZRJJASA-N 0 0 453.963 4.079 50 0 JIAARN O=C(Nc1ccc(OC(F)F)cc1)c1nc(S(=O)(=O)Cc2ccc(F)cc2)ncc1Cl ZINC000008917110 554811873 /nfs/dbraw/zinc/81/18/73/554811873.db2.gz PJEGBLHYOZXVSR-UHFFFAOYSA-N 0 0 471.844 4.097 50 0 JIAARN COc1ccc(Cc2nc(P(=O)(OC)OC)c(NCCc3ccc(OC)c(OC)c3)o2)cc1 ZINC000008917449 554812382 /nfs/dbraw/zinc/81/23/82/554812382.db2.gz RLOSCAWNDPYTFB-UHFFFAOYSA-N 0 0 476.466 4.057 50 0 JIAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000008920440 554817196 /nfs/dbraw/zinc/81/71/96/554817196.db2.gz NNYYKWRLFNZHPU-UHFFFAOYSA-N 0 0 495.557 4.123 50 0 JIAARN CCCc1ccc(OCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000008925880 554822085 /nfs/dbraw/zinc/82/20/85/554822085.db2.gz CRRFZEGCUHISOT-VWLOTQADSA-N 0 0 466.603 4.141 50 0 JIAARN CCN(Cc1ccccc1)C(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008933008 554826711 /nfs/dbraw/zinc/82/67/11/554826711.db2.gz VHBOWJJMWUKTQT-UHFFFAOYSA-N 0 0 450.542 4.448 50 0 JIAARN C[C@H]1C[C@H](C)CN(C(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)C1 ZINC000008933690 554828003 /nfs/dbraw/zinc/82/80/03/554828003.db2.gz KIHSQJOUPFUJGQ-SFTDATJTSA-N 0 0 459.594 4.020 50 0 JIAARN O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000008933682 554828030 /nfs/dbraw/zinc/82/80/30/554828030.db2.gz HQCGGZCMFTVMMZ-UHFFFAOYSA-N 0 0 479.584 4.100 50 0 JIAARN O=C(NCCCc1ccccc1)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008933709 554828129 /nfs/dbraw/zinc/82/81/29/554828129.db2.gz UOCGVXZZNJOKDV-UHFFFAOYSA-N 0 0 481.600 4.264 50 0 JIAARN COC(=O)CN1[C@@H](c2ccccc2)c2cc(Br)ccc2N[C@]1(O)c1ccccc1 ZINC000008934236 554828682 /nfs/dbraw/zinc/82/86/82/554828682.db2.gz HXSJLWRKXXNZLF-XZOQPEGZSA-N 0 0 453.336 4.242 50 0 JIAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000008965499 554840155 /nfs/dbraw/zinc/84/01/55/554840155.db2.gz QVAJHZGUSLMFDI-UHFFFAOYSA-N 0 0 451.958 4.474 50 0 JIAARN CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)nnc1-c1ccncc1 ZINC000008965854 554841259 /nfs/dbraw/zinc/84/12/59/554841259.db2.gz CWUUKXYITZBJQT-QGZVFWFLSA-N 0 0 464.576 4.485 50 0 JIAARN COc1ccc(-c2nnc3sc(CCc4c(C)nn(-c5ccccc5)c4C)nn32)cc1OC ZINC000008991222 554852456 /nfs/dbraw/zinc/85/24/56/554852456.db2.gz KGGWFZKOUYJSQJ-UHFFFAOYSA-N 0 0 460.563 4.458 50 0 JIAARN O=C(C[C@]1(O)C(=O)N(CCOc2ccccc2)c2ccccc21)c1ccc(Br)s1 ZINC000008991461 554852659 /nfs/dbraw/zinc/85/26/59/554852659.db2.gz OCMOVKLCSSGCRU-JOCHJYFZSA-N 0 0 472.360 4.397 50 0 JIAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3O)[nH]n2)cc1 ZINC000009014273 554865468 /nfs/dbraw/zinc/86/54/68/554865468.db2.gz GZPAKLMBFXKQDT-GOSISDBHSA-N 0 0 468.579 4.296 50 0 JIAARN O=C(Oc1ccc(C2SCCS2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009050821 554872007 /nfs/dbraw/zinc/87/20/07/554872007.db2.gz YWJPOJWIPONDMT-UHFFFAOYSA-N 0 0 467.609 4.311 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1CCCO)Nc1c(Cl)cccc1C(F)(F)F ZINC000009051042 554872145 /nfs/dbraw/zinc/87/21/45/554872145.db2.gz XYMMVXWKGNDNAR-UHFFFAOYSA-N 0 0 471.888 4.182 50 0 JIAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C ZINC000009053620 554873092 /nfs/dbraw/zinc/87/30/92/554873092.db2.gz MBZVCMMOGLRTPW-LEOXJPRUSA-N 0 0 477.634 4.500 50 0 JIAARN O=C(NC[C@@H]1CCCO1)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000009065535 554885215 /nfs/dbraw/zinc/88/52/15/554885215.db2.gz VEXGXRZCZAWABV-NHCYSSNCSA-N 0 0 479.322 4.276 50 0 JIAARN O=C(CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000009076656 554888159 /nfs/dbraw/zinc/88/81/59/554888159.db2.gz ZWVOOVZJKJWXRR-XMMPIXPASA-N 0 0 499.567 4.233 50 0 JIAARN CC(=O)[C@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000009086480 554888808 /nfs/dbraw/zinc/88/88/08/554888808.db2.gz PWOQLRWCCKRNOL-HQQJGFCBSA-N 0 0 452.485 4.388 50 0 JIAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NCc1ccc2c(c1)OCO2 ZINC000009095193 554893039 /nfs/dbraw/zinc/89/30/39/554893039.db2.gz CNDLDOSYYPAUQG-MHZLTWQESA-N 0 0 467.525 4.457 50 0 JIAARN CC[C@H](Sc1nnc(CNC(=O)c2ccccc2F)n1C)C(=O)Nc1cccc(C)c1C ZINC000009095860 554893950 /nfs/dbraw/zinc/89/39/50/554893950.db2.gz ADIJECXWUNPMSA-IBGZPJMESA-N 0 0 455.559 4.010 50 0 JIAARN COc1ccc(CCNC(=O)[C@@H]2CCCc3sc(NC(=O)c4ccc(OC)cc4)nc32)cc1 ZINC000009100954 554896378 /nfs/dbraw/zinc/89/63/78/554896378.db2.gz ZUVONGPCNREAFZ-HXUWFJFHSA-N 0 0 465.575 4.191 50 0 JIAARN CCOc1ccccc1-n1c(=O)c2ccccc2nc1SCC(=O)Nc1ccnn1C(C)C ZINC000009112309 554899683 /nfs/dbraw/zinc/89/96/83/554899683.db2.gz KPGGIQBMJKMYKR-UHFFFAOYSA-N 0 0 463.563 4.293 50 0 JIAARN CCCCn1c(=O)c2oc3ccccc3c2n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O ZINC000009116537 554904624 /nfs/dbraw/zinc/90/46/24/554904624.db2.gz FSNWAUDVNUIGQK-UHFFFAOYSA-N 0 0 455.898 4.010 50 0 JIAARN CSc1cccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000009116505 554904643 /nfs/dbraw/zinc/90/46/43/554904643.db2.gz FKWVOYAKPUPGQZ-UHFFFAOYSA-N 0 0 471.538 4.318 50 0 JIAARN COc1ccc(Cn2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3ccc(C)cc3C)c2=O)cc1 ZINC000009116586 554904844 /nfs/dbraw/zinc/90/48/44/554904844.db2.gz IZZBOUWDNMVQTJ-UHFFFAOYSA-N 0 0 483.524 4.222 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3nn4cc(-c5ccc(OC)cc5)nc4s3)CC2)cc1 ZINC000009117351 554906502 /nfs/dbraw/zinc/90/65/02/554906502.db2.gz KYPVGDSCVNYOQE-UHFFFAOYSA-N 0 0 477.590 4.008 50 0 JIAARN COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCc5cccc(F)c5)C4)sc3n2)cc1 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CN(C)C(=O)[C@H]1CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c2ccccc2O1 ZINC000022281991 555917318 /nfs/dbraw/zinc/91/73/18/555917318.db2.gz NXZQZFNWAPUDGO-HXUWFJFHSA-N 0 0 474.344 4.463 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)n1-c1cc(C)cc(C)c1)SCC2 ZINC000012140557 555918161 /nfs/dbraw/zinc/91/81/61/555918161.db2.gz GQPMOHQGZYDAHL-UHFFFAOYSA-N 0 0 495.626 4.405 50 0 JIAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000015608715 555918312 /nfs/dbraw/zinc/91/83/12/555918312.db2.gz AMCUDCIARUXIDO-OTWHNJEPSA-N 0 0 471.623 4.134 50 0 JIAARN O=C(CSc1nc2c(c(=O)n1-c1cccc(C(F)(F)F)c1)SCC2)NC1CCCC1 ZINC000012140584 555918364 /nfs/dbraw/zinc/91/83/64/555918364.db2.gz ZASLSUIORHMQER-UHFFFAOYSA-N 0 0 455.527 4.050 50 0 JIAARN Cc1ccc(CNC(=O)CSc2nc3c(c(=O)n2-c2cc(C)cc(C)c2)SCC3)cc1 ZINC000012140574 555918397 /nfs/dbraw/zinc/91/83/97/555918397.db2.gz KIXZYHBLXYJOPQ-UHFFFAOYSA-N 0 0 451.617 4.214 50 0 JIAARN CC(=O)NCc1ccc(-c2csc(NC(=O)C[C@H]3c4ccccc4C=CN3C(C)=O)n2)cc1 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470.614 4.233 50 0 JIAARN Brc1cc2c(cc1CSc1nc(CN3CCOCC3)nc3ccccc31)OCO2 ZINC000022358813 555925775 /nfs/dbraw/zinc/92/57/75/555925775.db2.gz AGKKRUXMBYVROI-UHFFFAOYSA-N 0 0 474.380 4.246 50 0 JIAARN Cc1nn(-c2nncc(-c3ccccc3)n2)c2c1[C@@H](c1ccc(Br)cc1)CC(=O)N2 ZINC000015670351 555925989 /nfs/dbraw/zinc/92/59/89/555925989.db2.gz UDSVPICTYZVFEI-QGZVFWFLSA-N 0 0 461.323 4.269 50 0 JIAARN O=C(NCCc1ccccn1)[C@H]1CC12CCN(C(=O)c1cccc(-c3ccccc3F)c1)CC2 ZINC000012152809 555927041 /nfs/dbraw/zinc/92/70/41/555927041.db2.gz GRCPBQKHIZOFPC-XMMPIXPASA-N 0 0 457.549 4.489 50 0 JIAARN O=C(Nc1nc(-c2ccccc2)cs1)c1c(-c2ccc(Cl)cc2)nc2n1CCS2(=O)=O ZINC000015671444 555928811 /nfs/dbraw/zinc/92/88/11/555928811.db2.gz YSWAOELNMABWTA-UHFFFAOYSA-N 0 0 470.963 4.367 50 0 JIAARN CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2CC[NH+]2CCCCCC2)CC1 ZINC000015672465 555929342 /nfs/dbraw/zinc/92/93/42/555929342.db2.gz JCFRGWHHKXFBHF-XYVRPBRGSA-N 0 0 470.683 4.488 50 0 JIAARN COc1ccccc1N1CCN(c2nc(CNC(=O)CCOc3ccccc3)nc3ccccc32)CC1 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O=C([C@H]1CCCO1)N1CCOc2c(cc(-c3cccnc3)cc2OCCc2cccs2)C1 ZINC000012243053 555946393 /nfs/dbraw/zinc/94/63/93/555946393.db2.gz RWDMCEXZXHLWLS-JOCHJYFZSA-N 0 0 450.560 4.332 50 0 JIAARN CCN(CCCNC(=O)CSCc1nc(-c2ccc(OC)c(OC)c2)no1)c1cccc(C)c1 ZINC000015681058 555949918 /nfs/dbraw/zinc/94/99/18/555949918.db2.gz VINQHOKXBCWXSM-UHFFFAOYSA-N 0 0 484.622 4.328 50 0 JIAARN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000012321424 555951759 /nfs/dbraw/zinc/95/17/59/555951759.db2.gz BYODVPJQMCECEH-INIZCTEOSA-N 0 0 457.559 4.046 50 0 JIAARN Cc1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000015706346 555952923 /nfs/dbraw/zinc/95/29/23/555952923.db2.gz SPVOSOQUVQJGQT-UHFFFAOYSA-N 0 0 471.966 4.208 50 0 JIAARN Cc1ccc([C@@H](CC(=O)N2CCN(Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1 ZINC000015721560 555955868 /nfs/dbraw/zinc/95/58/68/555955868.db2.gz BBCDRQAVWYVIHJ-HHHXNRCGSA-N 0 0 453.586 4.427 50 0 JIAARN Cc1ccc([C@H](CC(=O)N2CCN(Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1 ZINC000015721563 555955895 /nfs/dbraw/zinc/95/58/95/555955895.db2.gz BBCDRQAVWYVIHJ-MHZLTWQESA-N 0 0 453.586 4.427 50 0 JIAARN CCN(CC)CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)c1nc2c(s1)c(Cl)ccc2OC ZINC000012345282 555956192 /nfs/dbraw/zinc/95/61/92/555956192.db2.gz WIKCKNMCFJQSBU-UHFFFAOYSA-N 0 0 496.054 4.350 50 0 JIAARN COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1 ZINC000012347420 555956562 /nfs/dbraw/zinc/95/65/62/555956562.db2.gz CLNOJNFLBVRXKR-UHFFFAOYSA-N 0 0 452.504 4.290 50 0 JIAARN O=S(=O)(c1ccc(F)cc1F)N1CCn2cccc2[C@@H]1c1ccc(Br)cc1 ZINC000012361489 555957745 /nfs/dbraw/zinc/95/77/45/555957745.db2.gz WLJSYZFZAFQKHX-IBGZPJMESA-N 0 0 453.308 4.323 50 0 JIAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)c1c(F)cccc1F ZINC000022851556 555957881 /nfs/dbraw/zinc/95/78/81/555957881.db2.gz WGAYBJOLGOBASY-QFIPXVFZSA-N 0 0 483.490 4.126 50 0 JIAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)C1CCCCC1 ZINC000022851562 555957935 /nfs/dbraw/zinc/95/79/35/555957935.db2.gz JTMPJHAUIOGZOI-HSZRJFAPSA-N 0 0 453.558 4.114 50 0 JIAARN COc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@H]2c2cn(C)c3ccccc23)c(OC)c1 ZINC000012362973 555958622 /nfs/dbraw/zinc/95/86/22/555958622.db2.gz MXYLWSXPYBFIAN-SANMLTNESA-N 0 0 455.514 4.379 50 0 JIAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCCC1)N(Cc1ccc(C)cc1)C2=O ZINC000015724008 555959209 /nfs/dbraw/zinc/95/92/09/555959209.db2.gz BRXOVXIUUOJYNZ-HHHXNRCGSA-N 0 0 480.609 4.012 50 0 JIAARN CC(=O)Nc1nc(CSc2nnc([C@@H]3COc4ccccc4O3)n2-c2ccccc2)cs1 ZINC000012364462 555959603 /nfs/dbraw/zinc/95/96/03/555959603.db2.gz NZFXMOWXJWAAPC-IBGZPJMESA-N 0 0 465.560 4.487 50 0 JIAARN Cc1cc(NC(=O)CSCC(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)no1 ZINC000022880634 555963245 /nfs/dbraw/zinc/96/32/45/555963245.db2.gz WOFFQQHWGRWLSF-UHFFFAOYSA-N 0 0 450.973 4.303 50 0 JIAARN COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)Nc4ccc(C)cc4C)C3)n2)cc1OC ZINC000015726285 555964445 /nfs/dbraw/zinc/96/44/45/555964445.db2.gz WBANBMILUYRHQP-LJQANCHMSA-N 0 0 450.539 4.221 50 0 JIAARN COc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccccc4Cl)CC3)n2)cc1OC ZINC000015726410 555964611 /nfs/dbraw/zinc/96/46/11/555964611.db2.gz GFHWTSGTNDKLMF-UHFFFAOYSA-N 0 0 456.930 4.258 50 0 JIAARN CCc1ccccc1NC(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000015726401 555964683 /nfs/dbraw/zinc/96/46/83/555964683.db2.gz YSTDHEOPDXOWKB-UHFFFAOYSA-N 0 0 450.539 4.167 50 0 JIAARN CCOc1ccc(CC(=O)N(CCCN2CCOCC2)c2nc3ccc(F)cc3s2)cc1 ZINC000022905316 555964657 /nfs/dbraw/zinc/96/46/57/555964657.db2.gz MDINVOLCICPXPS-UHFFFAOYSA-N 0 0 457.571 4.132 50 0 JIAARN COc1ccc(-c2noc(CN3CCC(C(=O)N[C@H](C)CCc4ccccc4)CC3)n2)cc1OC ZINC000015726387 555964872 /nfs/dbraw/zinc/96/48/72/555964872.db2.gz PWCWEOVXQFBBEL-LJQANCHMSA-N 0 0 478.593 4.103 50 0 JIAARN O=S(=O)(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000022907166 555965164 /nfs/dbraw/zinc/96/51/64/555965164.db2.gz AXUBNAIRXVEUCB-FQEVSTJZSA-N 0 0 461.381 4.120 50 0 JIAARN O=C(C[C@@]1(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc21)c1ccc2c(c1)OCO2 ZINC000012377270 555965781 /nfs/dbraw/zinc/96/57/81/555965781.db2.gz FIAQSDXSIRBSNF-DEOSSOPVSA-N 0 0 469.415 4.442 50 0 JIAARN O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000022917452 555970971 /nfs/dbraw/zinc/97/09/71/555970971.db2.gz BIROMTWNCZOLST-UHFFFAOYSA-N 0 0 462.981 4.349 50 0 JIAARN COCCn1c(=S)n(CN2CCN(Cc3ccc(Cl)cc3)CC2)nc1-c1ccccc1 ZINC000022918132 555972054 /nfs/dbraw/zinc/97/20/54/555972054.db2.gz QENYOJUQBSQKIC-UHFFFAOYSA-N 0 0 458.031 4.156 50 0 JIAARN CCc1nn2c(nnc3c2ccn(-c2cc(Cl)ccc2OC)c3=O)c1-c1ccc(OC)cc1 ZINC000012389968 555973143 /nfs/dbraw/zinc/97/31/43/555973143.db2.gz QKYWPDYJIYHIOX-UHFFFAOYSA-N 0 0 461.909 4.328 50 0 JIAARN COCCN(Cc1ccc(C)c(Br)c1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000015731032 555973526 /nfs/dbraw/zinc/97/35/26/555973526.db2.gz GNJUOQHWFIMYIP-UHFFFAOYSA-N 0 0 499.452 4.029 50 0 JIAARN Cc1cccc(NC(=O)CSc2ncc3c(n2)-c2ccc(Cl)cc2N(C)S3(=O)=O)c1C ZINC000015731804 555975677 /nfs/dbraw/zinc/97/56/77/555975677.db2.gz MQOWEIAJVUGBFK-UHFFFAOYSA-N 0 0 474.995 4.283 50 0 JIAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)Nc4cccc(C)c4)cc3)S2(=O)=O)cc1 ZINC000015732921 555977331 /nfs/dbraw/zinc/97/73/31/555977331.db2.gz SJVCQELSCNMGAJ-UHFFFAOYSA-N 0 0 476.554 4.359 50 0 JIAARN COc1ccc(CCNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1OC ZINC000015733347 555978400 /nfs/dbraw/zinc/97/84/00/555978400.db2.gz PJXVILGTUJBYFS-UHFFFAOYSA-N 0 0 459.502 4.159 50 0 biogenic JIAARN Cn1c2cn(-c3cnc4ccccc4c3)c(-c3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000012428134 555979593 /nfs/dbraw/zinc/97/95/93/555979593.db2.gz YYSFLLRFEKQRQM-UHFFFAOYSA-N 0 0 461.319 4.006 50 0 JIAARN CCc1cc2c(cc1S(=O)(=O)N1CCN(c3cccc(C)c3C)CC1)[nH]c1c2C(=O)CCC1 ZINC000015733849 555979820 /nfs/dbraw/zinc/97/98/20/555979820.db2.gz LFOPEXRLBVULMF-UHFFFAOYSA-N 0 0 465.619 4.377 50 0 JIAARN CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1cccc(Br)c1 ZINC000015768725 555987112 /nfs/dbraw/zinc/98/71/12/555987112.db2.gz ZNJMICUNIAFMFS-UHFFFAOYSA-N 0 0 487.419 4.444 50 0 JIAARN C[C@H](NC(=O)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000015770547 555988942 /nfs/dbraw/zinc/98/89/42/555988942.db2.gz KFPPOFUPLASXCX-HGQZDXISSA-N 0 0 469.651 4.279 50 0 JIAARN CCCCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3ccccc3F)cc2=O)s1 ZINC000015771958 555991120 /nfs/dbraw/zinc/99/11/20/555991120.db2.gz UFURPNTWVZKGPM-UHFFFAOYSA-N 0 0 480.521 4.242 50 0 JIAARN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000022955768 555993416 /nfs/dbraw/zinc/99/34/16/555993416.db2.gz NAIKPFGKTOEICV-UHFFFAOYSA-N 0 0 466.541 4.492 50 0 JIAARN CCOC(=O)c1sc2ncnc(NCCNC(=O)c3ccc(C(F)(F)F)cc3)c2c1C ZINC000022956998 555993462 /nfs/dbraw/zinc/99/34/62/555993462.db2.gz KLDKVHCIXWUPQS-UHFFFAOYSA-N 0 0 452.458 4.037 50 0 JIAARN COc1ccc(C2=NCC(=O)N(CC(=O)Nc3ccc(C)cc3)c3sc4c(c32)CCC4)cc1 ZINC000015775450 555993675 /nfs/dbraw/zinc/99/36/75/555993675.db2.gz GOUGVIDJMINDFS-UHFFFAOYSA-N 0 0 459.571 4.377 50 0 JIAARN Cc1ccsc1CCNC(=O)CCc1nnc2ccc(NCc3ccccc3Cl)nn21 ZINC000015776218 555995892 /nfs/dbraw/zinc/99/58/92/555995892.db2.gz STSXLZBISVGJEC-UHFFFAOYSA-N 0 0 454.987 4.051 50 0 JIAARN CCOc1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccc4ncsc4c3)nc21 ZINC000022998249 555998327 /nfs/dbraw/zinc/99/83/27/555998327.db2.gz SCYBYRGIPTZEBA-UHFFFAOYSA-N 0 0 468.604 4.284 50 0 JIAARN O=S(=O)(c1ccccc1F)N(CCOc1cccc(Br)c1)Cc1ccco1 ZINC000012529626 555999449 /nfs/dbraw/zinc/99/94/49/555999449.db2.gz MLZTTXOKFDMFGQ-UHFFFAOYSA-N 0 0 454.317 4.451 50 0 JIAARN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)OCC(=O)NCC23CC4CC(CC(C4)C2)C3)CC1=O ZINC000012529637 555999457 /nfs/dbraw/zinc/99/94/57/555999457.db2.gz OKSBIUOZOXYDHW-OHTNIYGSSA-N 0 0 466.622 4.429 50 0 JIAARN CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccccc2SCc2noc(C)n2)c1 ZINC000023007386 555999484 /nfs/dbraw/zinc/99/94/84/555999484.db2.gz WMLFEHQIBBMWIP-UHFFFAOYSA-N 0 0 460.581 4.001 50 0 JIAARN CCOc1ccc(CC(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015780837 555999540 /nfs/dbraw/zinc/99/95/40/555999540.db2.gz ZQQLDPPPHAZWIG-QFIPXVFZSA-N 0 0 459.589 4.029 50 0 JIAARN O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000023011632 555999875 /nfs/dbraw/zinc/99/98/75/555999875.db2.gz VYCLBRVFAIMYTP-UHFFFAOYSA-N 0 0 475.614 4.419 50 0 JIAARN CCCCn1c(CN[C@@H](c2cccs2)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21 ZINC000012530007 556000029 /nfs/dbraw/zinc/00/00/29/556000029.db2.gz OSCQROGMZONHBZ-HSZRJFAPSA-N 0 0 454.621 4.425 50 0 JIAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC000023039984 556001097 /nfs/dbraw/zinc/00/10/97/556001097.db2.gz QMRXVHJKACFUKT-UHFFFAOYSA-N 0 0 469.563 4.246 50 0 JIAARN COc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(C)C)C(=O)N32)cc(OC)c1 ZINC000015783444 556001583 /nfs/dbraw/zinc/00/15/83/556001583.db2.gz RGGYYWUAVXGACE-FQEVSTJZSA-N 0 0 466.563 4.080 50 0 JIAARN COc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](c4ccccc4)C(=O)N32)cc(OC)c1 ZINC000015783488 556001951 /nfs/dbraw/zinc/00/19/51/556001951.db2.gz KLERHBXCEGVNEJ-QHCPKHFHSA-N 0 0 486.553 4.407 50 0 JIAARN CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(C)C)C(=O)N32)cc1 ZINC000015783517 556001964 /nfs/dbraw/zinc/00/19/64/556001964.db2.gz KKQDSNFUCYALSJ-FQEVSTJZSA-N 0 0 450.564 4.462 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000023054935 556002962 /nfs/dbraw/zinc/00/29/62/556002962.db2.gz ZIBZOELGJAYANX-UHFFFAOYSA-N 0 0 474.521 4.033 50 0 JIAARN CCn1c(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)nnc1N1CCOCC1 ZINC000023055367 556003567 /nfs/dbraw/zinc/00/35/67/556003567.db2.gz YNORDKISOUJIHA-HXUWFJFHSA-N 0 0 481.647 4.107 50 0 JIAARN COC(=O)c1ccc2c(c1)N(CC(=O)Nc1cc(OC)ccc1OC)C(=O)c1ccccc1S2 ZINC000015784950 556004107 /nfs/dbraw/zinc/00/41/07/556004107.db2.gz ZBKYANOMIIYEQZ-UHFFFAOYSA-N 0 0 478.526 4.241 50 0 JIAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1Br ZINC000023078671 556006138 /nfs/dbraw/zinc/00/61/38/556006138.db2.gz YRJWJUZLNLOKOX-UHFFFAOYSA-N 0 0 474.182 4.300 50 0 JIAARN O=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)N1CCC(Cc2ccccc2)CC1 ZINC000015787047 556006846 /nfs/dbraw/zinc/00/68/46/556006846.db2.gz MFQIVXXPNWHKMQ-UHFFFAOYSA-N 0 0 496.611 4.231 50 0 JIAARN CCOC(=O)c1cc(Cl)c(OCC(=O)N[C@H](c2nccn2C)c2ccccc2)c(Cl)c1 ZINC000012535247 556007456 /nfs/dbraw/zinc/00/74/56/556007456.db2.gz KXOMPTXOBPLMTH-IBGZPJMESA-N 0 0 462.333 4.188 50 0 JIAARN COCCNC(=O)CSc1ccccc1C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000023101137 556008187 /nfs/dbraw/zinc/00/81/87/556008187.db2.gz KSODSCPVFHSTIH-UHFFFAOYSA-N 0 0 482.577 4.189 50 0 JIAARN Cc1ccc(C)c(CN2CCN(C(=O)c3cn(C(C)C)cc4c(=O)n(-c5ccccc5)nc3-4)CC2)c1 ZINC000023108699 556009445 /nfs/dbraw/zinc/00/94/45/556009445.db2.gz GFBDOBCUZYWSDV-UHFFFAOYSA-N 0 0 483.616 4.295 50 0 JIAARN O=C(Cc1sc(N2CCCCC2)nc1O)Nc1cccc(C(=O)N(Cc2cccs2)C2CC2)c1 ZINC000023112063 556010921 /nfs/dbraw/zinc/01/09/21/556010921.db2.gz UVXNCLAIOUMIQQ-NRFANRHFSA-N 0 0 496.658 4.365 50 0 JIAARN CC(=O)O[C@@H](CN(C)S(=O)(=O)c1ccc(C)cc1)Cn1c2ccccc2c2ccccc21 ZINC000023118712 556012146 /nfs/dbraw/zinc/01/21/46/556012146.db2.gz NUGLGQYZZWUFMY-FQEVSTJZSA-N 0 0 450.560 4.355 50 0 JIAARN CCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000012539749 556013079 /nfs/dbraw/zinc/01/30/79/556013079.db2.gz AVRLUTPZJKOXHC-UHFFFAOYSA-N 0 0 458.562 4.389 50 0 JIAARN CC[C@H]1CCCCN1C(=O)CN1c2ccccc2S(=O)(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000015827102 556014147 /nfs/dbraw/zinc/01/41/47/556014147.db2.gz RHXPBBFUXSMOCB-IBGZPJMESA-N 0 0 455.580 4.230 50 0 JIAARN COc1ccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc3N2Cc2ccccc2)cc1 ZINC000015827227 556014502 /nfs/dbraw/zinc/01/45/02/556014502.db2.gz KSLOUIZCQIFVOV-UHFFFAOYSA-N 0 0 467.572 4.132 50 0 JIAARN COc1ccc(C(=O)N2CCC(c3nnc(C(=O)Nc4cccc(Cl)c4)s3)CC2)cc1 ZINC000015827899 556015167 /nfs/dbraw/zinc/01/51/67/556015167.db2.gz QADZAVHUTXMFGY-UHFFFAOYSA-N 0 0 456.955 4.472 50 0 JIAARN COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccc(=O)n(Cc3ccccc3)n1)oc1ccccc12 ZINC000012541597 556015817 /nfs/dbraw/zinc/01/58/17/556015817.db2.gz HUTZQNHUQRZRAU-KRWDZBQOSA-N 0 0 497.507 4.384 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(F)c3)c12 ZINC000023128232 556016982 /nfs/dbraw/zinc/01/69/82/556016982.db2.gz XIYRXPQJAYSOOH-IBGZPJMESA-N 0 0 464.522 4.158 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(C)cc3)cc(C(=O)Nc3cccc(F)c3)c12 ZINC000023128248 556017316 /nfs/dbraw/zinc/01/73/16/556017316.db2.gz YAICAYOAOPUIEM-FQEVSTJZSA-N 0 0 478.549 4.466 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)Nc3cccc(F)c3)c12 ZINC000023128265 556017322 /nfs/dbraw/zinc/01/73/22/556017322.db2.gz QJMHOTPRXUYJFI-MRXNPFEDSA-N 0 0 470.551 4.219 50 0 JIAARN CCCCCOc1ccc(C(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000015832120 556017745 /nfs/dbraw/zinc/01/77/45/556017745.db2.gz DXJFJJQWOSZIHI-QGZVFWFLSA-N 0 0 484.412 4.441 50 0 JIAARN Cc1ccc(SCCNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 ZINC000015835789 556020651 /nfs/dbraw/zinc/02/06/51/556020651.db2.gz KSKNOXCKXPIWGG-UHFFFAOYSA-N 0 0 458.580 4.238 50 0 JIAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)cc1)N(CCCN1CCOCC1)C3=O ZINC000015838113 556021699 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Cc1nn(CC(=O)NCCCCOc2ccc(OCc3ccccc3)cc2)c(=O)c2ccccc12 ZINC000012986263 556180199 /nfs/dbraw/zinc/18/01/99/556180199.db2.gz MEUYPTIFQWOUGV-UHFFFAOYSA-N 0 0 471.557 4.259 50 0 JIAARN C[C@@]1(c2cc3ccccc3o2)NC(=O)N(Cc2nnc(-c3ccccc3Br)o2)C1=O ZINC000012991060 556184156 /nfs/dbraw/zinc/18/41/56/556184156.db2.gz LGZZRHGVPCRRRK-NRFANRHFSA-N 0 0 467.279 4.213 50 0 JIAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012991955 556184522 /nfs/dbraw/zinc/18/45/22/556184522.db2.gz YPCYUSVHRWQHDA-UHFFFAOYSA-N 0 0 496.629 4.428 50 0 JIAARN COc1ccc(CCC(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)cc1 ZINC000016953686 556184569 /nfs/dbraw/zinc/18/45/69/556184569.db2.gz UCBTYBAJXWALMK-UHFFFAOYSA-N 0 0 456.589 4.470 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000012995612 556188061 /nfs/dbraw/zinc/18/80/61/556188061.db2.gz WNWZAJOTEUJPRV-QGZVFWFLSA-N 0 0 496.814 4.311 50 0 JIAARN CN1C(=O)N(C)C(=O)C2(Cc3cc(C(F)(F)F)ccc3N3CC[C@H](Cc4ccccc4)C[C@@H]32)C1=O ZINC000016957473 556188528 /nfs/dbraw/zinc/18/85/28/556188528.db2.gz OATGMABRWHPTOA-DYESRHJHSA-N 0 0 485.506 4.126 50 0 JIAARN Cc1ccc(CCC2CCN(C(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)CC2)cc1 ZINC000012995847 556188711 /nfs/dbraw/zinc/18/87/11/556188711.db2.gz FPSIARSXKIIWCK-UHFFFAOYSA-N 0 0 472.626 4.406 50 0 JIAARN O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012997332 556190003 /nfs/dbraw/zinc/19/00/03/556190003.db2.gz XRQOFTLDIOLUQZ-UHFFFAOYSA-N 0 0 482.446 4.035 50 0 JIAARN COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc21 ZINC000016960785 556191554 /nfs/dbraw/zinc/19/15/54/556191554.db2.gz RUKMKGJYUVHWCF-UHFFFAOYSA-N 0 0 479.583 4.304 50 0 JIAARN COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1cccc3ccccc31)[nH]c2=O ZINC000016974308 556193214 /nfs/dbraw/zinc/19/32/14/556193214.db2.gz UWYSLZYYIRCQPK-UHFFFAOYSA-N 0 0 457.515 4.414 50 0 JIAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc(Br)c1 ZINC000013000825 556193517 /nfs/dbraw/zinc/19/35/17/556193517.db2.gz LYFFRQJDLODGIS-UHFFFAOYSA-N 0 0 451.386 4.195 50 0 JIAARN Cc1c(C(=O)NC[C@H](c2cccs2)N2CCOCC2)sc2nc(-c3ccco3)nc(C)c12 ZINC000013001008 556193760 /nfs/dbraw/zinc/19/37/60/556193760.db2.gz UMEWEECRGKABGC-MRXNPFEDSA-N 0 0 468.604 4.433 50 0 JIAARN COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(Cl)s3)s2)cc1OC ZINC000016991993 556195811 /nfs/dbraw/zinc/19/58/11/556195811.db2.gz DATKDMSRVSZAJU-UHFFFAOYSA-N 0 0 459.014 4.372 50 0 JIAARN Cc1cc(O)c([C@H](c2ccncc2)N2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccccc1 ZINC000016993670 556197880 /nfs/dbraw/zinc/19/78/80/556197880.db2.gz NXLGLOFLNWIJEO-NDEPHWFRSA-N 0 0 484.575 4.356 50 0 JIAARN COc1c(C)cc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)c(C)c1C ZINC000016994408 556198569 /nfs/dbraw/zinc/19/85/69/556198569.db2.gz OMXSZDSIJHEMQN-UHFFFAOYSA-N 0 0 452.580 4.478 50 0 JIAARN COc1ccc(-c2noc(-c3c(N)n(CC(=O)Nc4cc(C)cc(C)c4)nc3SC)n2)cc1 ZINC000017010715 556200492 /nfs/dbraw/zinc/20/04/92/556200492.db2.gz WYJBBPIDUHBOJK-UHFFFAOYSA-N 0 0 464.551 4.168 50 0 JIAARN COc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccc(OC)c(Cl)c4)c3=O)n2)cc1 ZINC000017011482 556201332 /nfs/dbraw/zinc/20/13/32/556201332.db2.gz LTNPGKTYBILDKF-UHFFFAOYSA-N 0 0 494.935 4.491 50 0 JIAARN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CCN(c3ncccn3)C[C@@H]12 ZINC000025184639 556204106 /nfs/dbraw/zinc/20/41/06/556204106.db2.gz MLUBNVFXCXFNOG-RDGATRHJSA-N 0 0 492.505 4.156 50 0 JIAARN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccccc1N1CCN(c3ccccn3)C[C@@H]12 ZINC000025184746 556204120 /nfs/dbraw/zinc/20/41/20/556204120.db2.gz LWWHUNKVRHOMNR-ZEQKJWHPSA-N 0 0 457.965 4.395 50 0 JIAARN CCCOc1c(Br)cc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1OC ZINC000025210566 556205421 /nfs/dbraw/zinc/20/54/21/556205421.db2.gz ZSXIKKQARBDHQE-UHFFFAOYSA-N 0 0 493.373 4.420 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)N[C@H]3CCCc4ccccc43)n2C[C@H]2CCCO2)cc1 ZINC000013016384 556208378 /nfs/dbraw/zinc/20/83/78/556208378.db2.gz BXJLHJWNKJISOZ-GGAORHGYSA-N 0 0 478.618 4.419 50 0 JIAARN Cc1c([C@@H](C)NC(=O)c2ccc(S(C)(=O)=O)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000013017505 556209592 /nfs/dbraw/zinc/20/95/92/556209592.db2.gz GWIKCCJZEKGBRF-CYBMUJFWSA-N 0 0 451.470 4.094 50 0 JIAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000025357438 556210483 /nfs/dbraw/zinc/21/04/83/556210483.db2.gz TZJITVMGJHWZPA-RUZDIDTESA-N 0 0 495.560 4.362 50 0 JIAARN O[C@H](CNc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c21)CCC3)CN1CCOCC1 ZINC000025371789 556210502 /nfs/dbraw/zinc/21/05/02/556210502.db2.gz NTUJABAGTSEIDR-MRXNPFEDSA-N 0 0 491.082 4.231 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000017050647 556211386 /nfs/dbraw/zinc/21/13/86/556211386.db2.gz WZNMZUOLFGQWQK-MRXNPFEDSA-N 0 0 469.376 4.469 50 0 JIAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(CCOc3ccccc3)CC2)c1 ZINC000013026822 556219538 /nfs/dbraw/zinc/21/95/38/556219538.db2.gz GUQBBMLKLRSOIP-UHFFFAOYSA-N 0 0 496.611 4.444 50 0 JIAARN Cc1sc(NC(=O)C(C)(C)C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1C ZINC000017133674 556221346 /nfs/dbraw/zinc/22/13/46/556221346.db2.gz DBRJWKWHUONNRX-INIZCTEOSA-N 0 0 487.622 4.370 50 0 JIAARN Cc1cc(NC(=O)COc2cccc(C)c2)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1 ZINC000017135467 556221624 /nfs/dbraw/zinc/22/16/24/556221624.db2.gz ATGLUYQIILQTDB-UHFFFAOYSA-N 0 0 467.533 4.252 50 0 JIAARN COc1ccc(Cn2cnc3c4ccccc4n(CC(=O)Nc4cccc(C)c4)c3c2=O)cc1 ZINC000017135373 556221680 /nfs/dbraw/zinc/22/16/80/556221680.db2.gz QEQTUEIPWUBWSN-UHFFFAOYSA-N 0 0 452.514 4.355 50 0 JIAARN Cc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C/c4cccs4)c(=O)n32)o1 ZINC000017135934 556223272 /nfs/dbraw/zinc/22/32/72/556223272.db2.gz NFAMBFNXQSPLGM-IMEWXKHHSA-N 0 0 475.595 4.145 50 0 JIAARN O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1cccc(Cl)c1 ZINC000017150025 556227440 /nfs/dbraw/zinc/22/74/40/556227440.db2.gz GIKADOAKLDWFTD-UHFFFAOYSA-N 0 0 469.009 4.344 50 0 JIAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3C)CC2)cc1 ZINC000013031899 556229655 /nfs/dbraw/zinc/22/96/55/556229655.db2.gz RIERWZVXCKQRKT-QGZVFWFLSA-N 0 0 464.031 4.107 50 0 JIAARN COc1cc(C(=O)NCc2cccnc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000017168871 556230744 /nfs/dbraw/zinc/23/07/44/556230744.db2.gz BSWLHSCTQQUDIG-UHFFFAOYSA-N 0 0 459.424 4.057 50 0 JIAARN O=C(NCc1cccnc1)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl ZINC000017169058 556230780 /nfs/dbraw/zinc/23/07/80/556230780.db2.gz FZIRXKDDBIOECQ-UHFFFAOYSA-N 0 0 469.872 4.485 50 0 JIAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)c1ccc(F)c(F)c1 ZINC000017177892 556232902 /nfs/dbraw/zinc/23/29/02/556232902.db2.gz UKEADFPCJOJKDM-HSZRJFAPSA-N 0 0 483.490 4.126 50 0 JIAARN O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000013037817 556233181 /nfs/dbraw/zinc/23/31/81/556233181.db2.gz XBKIEAFDPFKRNJ-UHFFFAOYSA-N 0 0 466.419 4.306 50 0 JIAARN O=C(CSc1nc2c(c(=O)n1CCc1ccccc1)SCC2)N1CCCc2ccccc21 ZINC000017179002 556233716 /nfs/dbraw/zinc/23/37/16/556233716.db2.gz GTGNVMJYZCNVQJ-UHFFFAOYSA-N 0 0 463.628 4.206 50 0 JIAARN C[C@H](OC(=O)c1ccccc1SCC(=O)NC1CC1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000025780031 556234097 /nfs/dbraw/zinc/23/40/97/556234097.db2.gz JWTHDZJGKOGJMI-INIZCTEOSA-N 0 0 482.602 4.470 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000013038347 556236139 /nfs/dbraw/zinc/23/61/39/556236139.db2.gz PSJOTRZMJXACAQ-FQEVSTJZSA-N 0 0 472.636 4.102 50 0 JIAARN O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 ZINC000017190338 556236242 /nfs/dbraw/zinc/23/62/42/556236242.db2.gz NVJKAAADNAUBRB-XMMPIXPASA-N 0 0 493.991 4.127 50 0 JIAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2 ZINC000017191179 556236585 /nfs/dbraw/zinc/23/65/85/556236585.db2.gz IEIDEPUTNQWRKK-UHFFFAOYSA-N 0 0 456.951 4.499 50 0 JIAARN COc1cccc([C@H]2c3c(C)nn(-c4ccc(C)cc4)c3NC(=O)[C@@H]2NC(=O)c2ccccc2)c1 ZINC000013038483 556236728 /nfs/dbraw/zinc/23/67/28/556236728.db2.gz AMXXWVZVJDDIDL-LOSJGSFVSA-N 0 0 466.541 4.380 50 0 JIAARN O=C(Cc1csc(-c2ccsc2)n1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025920504 556238733 /nfs/dbraw/zinc/23/87/33/556238733.db2.gz LSSVRPROWOVWDZ-UHFFFAOYSA-N 0 0 454.573 4.307 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)CC(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000013039436 556240398 /nfs/dbraw/zinc/24/03/98/556240398.db2.gz YIKXHKCJZUNNML-UHFFFAOYSA-N 0 0 465.575 4.123 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)N2CCN(c3ncnc4sc5c(c43)CC[C@H](C)C5)CC2)cc1 ZINC000013040335 556243291 /nfs/dbraw/zinc/24/32/91/556243291.db2.gz DRTIOJPUNGYUIK-KRWDZBQOSA-N 0 0 470.664 4.450 50 0 JIAARN COc1ccc(-c2nc3n(n2)[C@H](c2ccccc2OC)C(C(=O)Nc2cccnc2)=C(C)N3)cc1OC ZINC000017243512 556244421 /nfs/dbraw/zinc/24/44/21/556244421.db2.gz IVAOHKSTAYTWCT-XMMPIXPASA-N 0 0 498.543 4.294 50 0 JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccccc3OC)nn2[C@H]1c1cccnc1 ZINC000017243760 556244969 /nfs/dbraw/zinc/24/49/69/556244969.db2.gz JIQYELYFKKNIPE-QHCPKHFHSA-N 0 0 468.517 4.285 50 0 JIAARN CC[C@@H](C)NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000013040982 556245425 /nfs/dbraw/zinc/24/54/25/556245425.db2.gz UTTAJAHZSVUXDL-CYBMUJFWSA-N 0 0 478.920 4.477 50 0 JIAARN Cc1ccc(NC(=O)COC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1F ZINC000013042261 556248912 /nfs/dbraw/zinc/24/89/12/556248912.db2.gz GLVZVOZDBFKWIW-QZTJIDSGSA-N 0 0 456.514 4.098 50 0 JIAARN Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000013055859 556250460 /nfs/dbraw/zinc/25/04/60/556250460.db2.gz FJGQWFDTTKUSQT-GOSISDBHSA-N 0 0 450.608 4.270 50 0 JIAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000013056289 556251070 /nfs/dbraw/zinc/25/10/70/556251070.db2.gz LIZSJNVCDXTWER-UHFFFAOYSA-N 0 0 475.014 4.194 50 0 JIAARN CCOC(=O)C1CCN([C@H](c2cccc(Cl)c2)c2c(O)cc(C)n(Cc3cccnc3)c2=O)CC1 ZINC000017296943 556252156 /nfs/dbraw/zinc/25/21/56/556252156.db2.gz VBYBBILBJNMDLQ-RUZDIDTESA-N 0 0 496.007 4.324 50 0 JIAARN Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000013060974 556256315 /nfs/dbraw/zinc/25/63/15/556256315.db2.gz ZJVDXPWBWFQPFQ-VWLOTQADSA-N 0 0 481.593 4.129 50 0 JIAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000026687990 556259329 /nfs/dbraw/zinc/25/93/29/556259329.db2.gz KFYRUBGIIJBCJP-QHCPKHFHSA-N 0 0 458.543 4.363 50 0 JIAARN CCCn1c(CCC(=O)Nc2cc(C)ccc2OC)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000013063232 556259610 /nfs/dbraw/zinc/25/96/10/556259610.db2.gz LOEFLXDTSKPOMH-UHFFFAOYSA-N 0 0 484.622 4.119 50 0 JIAARN C[C@H]1CCCC[C@H]1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000013063280 556259622 /nfs/dbraw/zinc/25/96/22/556259622.db2.gz UARQTHNNIVDRFV-IFXJQAMLSA-N 0 0 459.395 4.472 50 0 JIAARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000017579129 556262522 /nfs/dbraw/zinc/26/25/22/556262522.db2.gz MNGYAEAYUVKHPM-JOCHJYFZSA-N 0 0 451.529 4.149 50 0 JIAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013073478 556273216 /nfs/dbraw/zinc/27/32/16/556273216.db2.gz OAGFVDFEWUSGOG-UHFFFAOYSA-N 0 0 485.993 4.414 50 0 JIAARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000017968158 556273510 /nfs/dbraw/zinc/27/35/10/556273510.db2.gz JBORHJLCHNCQBK-ZRBLBEILSA-N 0 0 464.905 4.495 50 0 JIAARN CN(c1ccccc1C(=O)NCc1ccco1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000013074494 556275197 /nfs/dbraw/zinc/27/51/97/556275197.db2.gz DIHKVDDTAKGRIK-UHFFFAOYSA-N 0 0 483.771 4.451 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)COc2ccc(C)cc2Br)cc1 ZINC000013074492 556275298 /nfs/dbraw/zinc/27/52/98/556275298.db2.gz YPZKSRPFFMTVFS-INIZCTEOSA-N 0 0 483.428 4.044 50 0 JIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1 ZINC000018007079 556275625 /nfs/dbraw/zinc/27/56/25/556275625.db2.gz YMVBGUOXEHDGCL-UHFFFAOYSA-N 0 0 458.493 4.398 50 0 JIAARN COC(=O)c1cccc(N2C(=O)c3ccc(NC(=O)c4ccc(Br)cc4)cc3C2=O)c1 ZINC000027500208 556281451 /nfs/dbraw/zinc/28/14/51/556281451.db2.gz SOVSWDPLBRFGCI-UHFFFAOYSA-N 0 0 479.286 4.289 50 0 JIAARN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2c3ccccc3nc3c2CN(C)CC3)cc1 ZINC000013095962 556289256 /nfs/dbraw/zinc/28/92/56/556289256.db2.gz RVBDYYQUISNGHY-KDURUIRLSA-N 0 0 492.645 4.427 50 0 JIAARN O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000018117106 556290010 /nfs/dbraw/zinc/29/00/10/556290010.db2.gz FDYSCGUNWJGPCR-AFXVXQJMSA-N 0 0 473.891 4.241 50 0 JIAARN CCOc1ccccc1CNn1c(=O)c2ccccc2nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000027531403 556291679 /nfs/dbraw/zinc/29/16/79/556291679.db2.gz NVXXFICLWVGISZ-UHFFFAOYSA-N 0 0 461.518 4.232 50 0 JIAARN COc1ccccc1/C=C/CNn1c(=O)c2ccccc2nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000027531454 556292050 /nfs/dbraw/zinc/29/20/50/556292050.db2.gz RCJCNRLDFILVHX-PKNBQFBNSA-N 0 0 473.529 4.355 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)COC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000013097354 556293834 /nfs/dbraw/zinc/29/38/34/556293834.db2.gz VXOCQXJKSMDDCB-HXUWFJFHSA-N 0 0 467.349 4.247 50 0 JIAARN Cc1c(C(=O)N2C[C@H](C)C[C@H](C)C2)sc2nc(C)nc(N3CCN(c4ccccn4)CC3)c12 ZINC000027534483 556294224 /nfs/dbraw/zinc/29/42/24/556294224.db2.gz CSZVGNDGTIRBKZ-CALCHBBNSA-N 0 0 464.639 4.148 50 0 JIAARN CC[C@@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)c1ccccc1 ZINC000018153659 556295245 /nfs/dbraw/zinc/29/52/45/556295245.db2.gz DOLFGEPXFQIXNF-SFHVURJKSA-N 0 0 466.559 4.182 50 0 JIAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(Cn3ncn(-c4ccccc4C)c3=S)CC2)cc1 ZINC000013097975 556296034 /nfs/dbraw/zinc/29/60/34/556296034.db2.gz ALJYAOBCDIFLOE-LJQANCHMSA-N 0 0 485.679 4.189 50 0 JIAARN COc1cc(CNC(=O)CN2C(=S)N=NC2c2cccs2)ccc1OCc1ccccc1 ZINC000018161145 556296619 /nfs/dbraw/zinc/29/66/19/556296619.db2.gz ZNROVLYSPUOJIE-UHFFFAOYSA-N 0 0 466.588 4.199 50 0 JIAARN COc1ccc(CN(C(=O)Nc2ccc(OC)cc2)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000018181109 556299437 /nfs/dbraw/zinc/29/94/37/556299437.db2.gz JQUJAFFDVYKGQT-XMMPIXPASA-N 0 0 489.528 4.079 50 0 JIAARN COc1ccc(-c2csc(NC(=O)CN3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2)cc1OC ZINC000027573823 556299556 /nfs/dbraw/zinc/29/95/56/556299556.db2.gz QRGUFIRRPWOHAY-GOSISDBHSA-N 0 0 480.590 4.117 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000013101094 556301069 /nfs/dbraw/zinc/30/10/69/556301069.db2.gz SSRMVZQECXSSFR-UHFFFAOYSA-N 0 0 471.863 4.161 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(CSc1nc3ccccc3c(=O)n1-c1c(C)cccc1C)[nH]c2=O ZINC000013101577 556302026 /nfs/dbraw/zinc/30/20/26/556302026.db2.gz WLMIOCYSOMVVFU-UHFFFAOYSA-N 0 0 498.564 4.318 50 0 JIAARN O=C(COc1ccc(Br)cc1)N(Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000027662981 556302421 /nfs/dbraw/zinc/30/24/21/556302421.db2.gz CSXFKXNQRGMOMY-FQEVSTJZSA-N 0 0 488.403 4.197 50 0 JIAARN COc1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3Cl)s2)cc1Cl ZINC000027748828 556305636 /nfs/dbraw/zinc/30/56/36/556305636.db2.gz SVGOFLNKUPXFFT-UHFFFAOYSA-N 0 0 458.348 4.080 50 0 JIAARN Cc1ccc(C(O)=C2[C@H](c3ccc(-c4ccc(F)cc4)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000027749804 556305671 /nfs/dbraw/zinc/30/56/71/556305671.db2.gz ZHCQVLVRZGUEJE-IPJJNNNSSA-N 0 0 462.399 4.498 50 0 JIAARN Cc1oc(NC(=O)COC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c2c1c(C)n[nH]c2=O ZINC000013108732 556306658 /nfs/dbraw/zinc/30/66/58/556306658.db2.gz WFEMLGOJJGMGLF-UHFFFAOYSA-N 0 0 475.379 4.207 50 0 JIAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 ZINC000027793860 556307606 /nfs/dbraw/zinc/30/76/06/556307606.db2.gz DIJLEQHRWYKDAI-SFHVURJKSA-N 0 0 453.539 4.497 50 0 JIAARN Cc1nonc1COc1ccc(C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1 ZINC000027795558 556308281 /nfs/dbraw/zinc/30/82/81/556308281.db2.gz PPNLDKZIJXUVAA-UHFFFAOYSA-N 0 0 467.532 4.036 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000013110059 556310739 /nfs/dbraw/zinc/31/07/39/556310739.db2.gz IZAOWFKAKNSZMU-UHFFFAOYSA-N 0 0 487.622 4.242 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)N(Cc3ccccc3F)C3CC3)c2)cc1 ZINC000018213858 556311650 /nfs/dbraw/zinc/31/16/50/556311650.db2.gz UHLKLMVGWPVDDF-UHFFFAOYSA-N 0 0 454.523 4.440 50 0 JIAARN COc1ccccc1-n1c(CNc2ccccc2C)nnc1SCC(=O)NC1CCCC1 ZINC000028047589 556313580 /nfs/dbraw/zinc/31/35/80/556313580.db2.gz KOMSLFWJRBNDEJ-UHFFFAOYSA-N 0 0 451.596 4.347 50 0 JIAARN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@@H]3C)cc2)CC1=O ZINC000013112796 556315223 /nfs/dbraw/zinc/31/52/23/556315223.db2.gz WOIRNTVXBCWIOJ-ZVDOUQERSA-N 0 0 483.634 4.192 50 0 JIAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000028192579 556317009 /nfs/dbraw/zinc/31/70/09/556317009.db2.gz GBYNHMWHTMKGAH-OAHLLOKOSA-N 0 0 456.346 4.361 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)CC2)cc1 ZINC000013113223 556317132 /nfs/dbraw/zinc/31/71/32/556317132.db2.gz KMBIJRTZUFCGEX-UHFFFAOYSA-N 0 0 456.564 4.076 50 0 JIAARN CCCn1c(SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 ZINC000013113242 556317169 /nfs/dbraw/zinc/31/71/69/556317169.db2.gz RJFLNQWWVJQMCX-UHFFFAOYSA-N 0 0 475.977 4.337 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O[C@@H](C)c3nc4ccccc4c(=O)[nH]3)cc2)cc1 ZINC000018268827 556317979 /nfs/dbraw/zinc/31/79/79/556317979.db2.gz GRJLZZUUZODPAF-INIZCTEOSA-N 0 0 493.541 4.041 50 0 JIAARN O=C(Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)Nc1ccc2c(c1)OCCO2 ZINC000013114362 556319209 /nfs/dbraw/zinc/31/92/09/556319209.db2.gz RSZBHGDXNZYMDQ-UHFFFAOYSA-N 0 0 498.358 4.297 50 0 JIAARN C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000018599758 556322743 /nfs/dbraw/zinc/32/27/43/556322743.db2.gz URRPKXDNOURZCG-CQSZACIVSA-N 0 0 479.027 4.110 50 0 JIAARN CCOc1cc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000013115923 556323442 /nfs/dbraw/zinc/32/34/42/556323442.db2.gz VWFNWEBWULDYCG-UHFFFAOYSA-N 0 0 481.574 4.007 50 0 JIAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CN(C)Cc3ccc(Cl)s3)C2=O)cc1 ZINC000018898513 556324869 /nfs/dbraw/zinc/32/48/69/556324869.db2.gz DOXFRKHTQFHLOR-UHFFFAOYSA-N 0 0 485.993 4.304 50 0 JIAARN C[C@@H](NC(=O)COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cc2ccccc2o1 ZINC000018972388 556326216 /nfs/dbraw/zinc/32/62/16/556326216.db2.gz GIWFDOMZRCNTGV-MRXNPFEDSA-N 0 0 468.937 4.359 50 0 JIAARN Cc1ccc(-c2csc3ncn(CC(=O)N[C@@H](C)c4ccc5c(c4)OCCO5)c(=O)c23)cc1 ZINC000013117420 556327142 /nfs/dbraw/zinc/32/71/42/556327142.db2.gz YNIMFVPTDWXLKD-INIZCTEOSA-N 0 0 461.543 4.082 50 0 JIAARN CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)cc(=O)c2c1 ZINC000028291613 556328548 /nfs/dbraw/zinc/32/85/48/556328548.db2.gz XLDMUFDNYCJBLG-QHCPKHFHSA-N 0 0 462.590 4.456 50 0 JIAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COc2ccc3c(c2)OCO3)cc1OC ZINC000013117977 556330200 /nfs/dbraw/zinc/33/02/00/556330200.db2.gz GREDRCADPFXGPD-SFHVURJKSA-N 0 0 466.515 4.251 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1 ZINC000013119619 556331527 /nfs/dbraw/zinc/33/15/27/556331527.db2.gz PBYCJWCLEHUGQB-UHFFFAOYSA-N 0 0 476.558 4.129 50 0 JIAARN Cc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(=O)n1Cc1ccccc1 ZINC000019144446 556332125 /nfs/dbraw/zinc/33/21/25/556332125.db2.gz KVCMLKWRKKJRFK-UHFFFAOYSA-N 0 0 476.602 4.051 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cccc4c3CCCC4)c12 ZINC000019166971 556332402 /nfs/dbraw/zinc/33/24/02/556332402.db2.gz HZTQZCXQZUXUJN-SFHVURJKSA-N 0 0 464.591 4.108 50 0 JIAARN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)N4CCCN4[C@]3(c3ccccc3)C2=O)cc1 ZINC000019171240 556332902 /nfs/dbraw/zinc/33/29/02/556332902.db2.gz ZGUXVWXGNUPKJY-OARDWFSCSA-N 0 0 453.542 4.148 50 0 JIAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000028437354 556333366 /nfs/dbraw/zinc/33/33/66/556333366.db2.gz POFSBQXOTNFASQ-OAQYLSRUSA-N 0 0 454.530 4.139 50 0 JIAARN C[C@H](NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000013120655 556333492 /nfs/dbraw/zinc/33/34/92/556333492.db2.gz VMCRQLWAMHKYAP-KRWDZBQOSA-N 0 0 473.558 4.087 50 0 JIAARN O=C(CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)NCCc1c[nH]c2ccccc12 ZINC000013120775 556334079 /nfs/dbraw/zinc/33/40/79/556334079.db2.gz UQKPWCICSCMPRG-GOSISDBHSA-N 0 0 497.020 4.161 50 0 JIAARN COc1cc(CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1OC ZINC000028493767 556334585 /nfs/dbraw/zinc/33/45/85/556334585.db2.gz BVZMTNTXIZTUKL-UHFFFAOYSA-N 0 0 452.473 4.013 50 0 JIAARN Cc1sc2ncn(CC(=O)N(Cc3cccs3)c3ccc4c(c3)OCCO4)c(=O)c2c1C ZINC000013120881 556334805 /nfs/dbraw/zinc/33/48/05/556334805.db2.gz LCTHBIPYVROUCH-UHFFFAOYSA-N 0 0 467.572 4.141 50 0 JIAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)n2)cc1 ZINC000028847345 556342914 /nfs/dbraw/zinc/34/29/14/556342914.db2.gz NGBMBCWQWZLCMF-UHFFFAOYSA-N 0 0 457.559 4.373 50 0 JIAARN Cc1ccc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000019356784 556344708 /nfs/dbraw/zinc/34/47/08/556344708.db2.gz QMDMDQPDBNKWJY-HSZRJFAPSA-N 0 0 482.533 4.112 50 0 JIAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)c12 ZINC000029005369 556345121 /nfs/dbraw/zinc/34/51/21/556345121.db2.gz MHAUMBXIVONNAG-UHFFFAOYSA-N 0 0 489.601 4.273 50 0 JIAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCC[C@H]1c1cccn1C ZINC000013128039 556345850 /nfs/dbraw/zinc/34/58/50/556345850.db2.gz AEORYXJJKLEERQ-QFIPXVFZSA-N 0 0 462.550 4.070 50 0 JIAARN CCOc1cc2c(cc1NC(=O)c1ccc(C)c(S(=O)(=O)NCc3ccccc3)c1)O[C@H](C)C2 ZINC000029129393 556347291 /nfs/dbraw/zinc/34/72/91/556347291.db2.gz ZRISLTHWVWJGEV-GOSISDBHSA-N 0 0 480.586 4.448 50 0 JIAARN COc1ccc([C@H](NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)c2nccn2C)cc1 ZINC000029133082 556347772 /nfs/dbraw/zinc/34/77/72/556347772.db2.gz KWCXTWSECYWVNT-NVQXNPDNSA-N 0 0 482.584 4.340 50 0 JIAARN O=C(c1ccc(F)cc1)c1ccc(OCc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000013129587 556353109 /nfs/dbraw/zinc/35/31/09/556353109.db2.gz WZVZGNARCVDVEQ-UHFFFAOYSA-N 0 0 453.267 4.406 50 0 JIAARN CCCCN(C(=O)CCN1c2ccccc2Sc2ccccc21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000013129647 556353642 /nfs/dbraw/zinc/35/36/42/556353642.db2.gz NQCIGXBMYJUJHT-UHFFFAOYSA-N 0 0 493.633 4.355 50 0 JIAARN O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 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O=C(CSc1ncnc2ccccc21)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000008696078 562954675 /nfs/dbraw/zinc/95/46/75/562954675.db2.gz QPMJBKGAZCBRPF-UHFFFAOYSA-N 0 0 477.011 4.189 50 0 aggregator JIAARN CCN1c2cc(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc2[S@@](=O)c2ccccc2C1=O ZINC000013795556 562993055 /nfs/dbraw/zinc/99/30/55/562993055.db2.gz YBXJXYAGIYZEGP-NFVVUBBGSA-N 0 0 487.625 4.493 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc2ncc(C(=O)NC3CCCCCC3)c(O)c2c1 ZINC000006296470 569588800 /nfs/dbraw/zinc/58/88/00/569588800.db2.gz OGVDEAPJBRGQIE-UHFFFAOYSA-N 0 0 467.591 4.196 50 0 JIAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000008440654 569590054 /nfs/dbraw/zinc/59/00/54/569590054.db2.gz RYBZVXDARMQBBN-GFCCVEGCSA-N 0 0 487.430 4.103 50 0 JIAARN Cc1ccc(I)cc1NC(=O)CSc1nnc(-c2ccc(O)cc2)o1 ZINC000008445901 569590628 /nfs/dbraw/zinc/59/06/28/569590628.db2.gz OSMVQAPHDIMOEB-UHFFFAOYSA-N 0 0 467.288 4.086 50 0 JIAARN COC(=O)c1ccc(CN(C)Cc2nnc(SCc3cccnc3)n2-c2cccc(OC)c2)cc1 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COc1cc(OC)cc(-c2noc(C[C@@H](c3ccccc3)N3C(=O)c4ccccc4C3=O)n2)c1 ZINC000057354836 569599162 /nfs/dbraw/zinc/59/91/62/569599162.db2.gz WUPSWHIKPRPODM-QFIPXVFZSA-N 0 0 455.470 4.334 50 0 JIAARN CC[C@H](NC(=O)CSc1nncn1-c1ccccc1OC)c1ccc(Br)cc1 ZINC000008726497 569600751 /nfs/dbraw/zinc/60/07/51/569600751.db2.gz BUGJQQOIBQXWQS-INIZCTEOSA-N 0 0 461.385 4.398 50 0 JIAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000008729146 569601547 /nfs/dbraw/zinc/60/15/47/569601547.db2.gz UCKWUXHUBJWOSL-HXUWFJFHSA-N 0 0 455.514 4.460 50 0 JIAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)Nc2ccccc2F)cc1 ZINC000057425943 569601595 /nfs/dbraw/zinc/60/15/95/569601595.db2.gz IZZAJCVXTHKTKM-UHFFFAOYSA-N 0 0 455.536 4.385 50 0 JIAARN CCOc1cc(Br)c(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1OCC ZINC000008735496 569601966 /nfs/dbraw/zinc/60/19/66/569601966.db2.gz AWAHJRAZGKLHBB-QFIPXVFZSA-N 0 0 459.340 4.140 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccccc1SCC(=O)NCc1ccco1 ZINC000008735950 569602134 /nfs/dbraw/zinc/60/21/34/569602134.db2.gz LKZDHXQTNPFXAW-UHFFFAOYSA-N 0 0 474.586 4.421 50 0 JIAARN COc1cccc(Sc2ccc(N3CCC[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)nn2)c1 ZINC000032974838 569605845 /nfs/dbraw/zinc/60/58/45/569605845.db2.gz ONEWXRYBZMSIRT-NRFANRHFSA-N 0 0 489.645 4.202 50 0 JIAARN COCCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000032977684 569606412 /nfs/dbraw/zinc/60/64/12/569606412.db2.gz BWVQASOYWTXPQK-DEOSSOPVSA-N 0 0 459.525 4.372 50 0 JIAARN Cc1ccc(N2CCN(C(=O)c3cc(=O)c(OCc4cccc(Cl)c4)c[nH]3)CC2)c(C)c1 ZINC000061717689 569609059 /nfs/dbraw/zinc/60/90/59/569609059.db2.gz XPXBCZIGLLHMKK-UHFFFAOYSA-N 0 0 451.954 4.187 50 0 JIAARN COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000061943428 569609473 /nfs/dbraw/zinc/60/94/73/569609473.db2.gz LEXYOQZXOPAJAO-UHFFFAOYSA-N 0 0 461.349 4.022 50 0 JIAARN CCCSc1ncc(Cl)c(C(=O)N[C@@H](CCSC)C(=O)Nc2cccc(OC)c2)n1 ZINC000061997040 569609779 /nfs/dbraw/zinc/60/97/79/569609779.db2.gz YRGRJSSYXJANTL-INIZCTEOSA-N 0 0 469.032 4.131 50 0 JIAARN Cc1cccc(N2CCN(C(=O)CCCc3nnc(C(=O)Nc4ccccc4)s3)C[C@H]2C)c1 ZINC000032995270 569610131 /nfs/dbraw/zinc/61/01/31/569610131.db2.gz QUFXHSIOJIADPC-LJQANCHMSA-N 0 0 463.607 4.159 50 0 JIAARN COc1cc(NC(=O)CC/C(C)=C/Cc2c(O)c3c(c(C)c2OC)COC3=O)cc(OC)c1OC ZINC000062001452 569610205 /nfs/dbraw/zinc/61/02/05/569610205.db2.gz SOQFTAWEOYERIN-VGOFMYFVSA-N 0 0 485.533 4.313 50 0 biogenic JIAARN COc1ccc(Br)cc1CNC(=O)CCCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000032995325 569610225 /nfs/dbraw/zinc/61/02/25/569610225.db2.gz GKAPAARYPOZIMI-UHFFFAOYSA-N 0 0 489.395 4.201 50 0 JIAARN c1nn2cc(-c3ccc(OCCN4CCOCC4)cc3)cnc2c1-c1ccnc2ccccc21 ZINC000062260294 569610412 /nfs/dbraw/zinc/61/04/12/569610412.db2.gz DXLXRNZCYAYUED-UHFFFAOYSA-N 0 0 451.530 4.323 50 0 in-vitro JIAARN Cc1cccc(-c2nn3c(nc(N4CCN(C(=O)c5ccc(C(C)(C)C)cc5)CC4)cc3=O)s2)c1 ZINC000032996248 569610693 /nfs/dbraw/zinc/61/06/93/569610693.db2.gz MROLJZAWDHQDQF-UHFFFAOYSA-N 0 0 487.629 4.386 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)ccc1Cl ZINC000062577349 569611539 /nfs/dbraw/zinc/61/15/39/569611539.db2.gz BGACETJFXXMKFQ-OAHLLOKOSA-N 0 0 485.075 4.311 50 0 JIAARN COC(=O)c1c(NC(=O)Cn2c(=O)scc2-c2ccc(F)cc2)sc2c1CC[C@H](C)C2 ZINC000062580757 569611741 /nfs/dbraw/zinc/61/17/41/569611741.db2.gz XTQYFOCHURXSER-LBPRGKRZSA-N 0 0 460.552 4.328 50 0 JIAARN COc1ccccc1-n1c(=O)c2ccc(Cl)cc2nc1SCC(=O)NCC(=O)c1ccccc1 ZINC000062613818 569613135 /nfs/dbraw/zinc/61/31/35/569613135.db2.gz IKSLAHKOSOVQAE-UHFFFAOYSA-N 0 0 493.972 4.139 50 0 JIAARN Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)c2cc1C ZINC000033006027 569614578 /nfs/dbraw/zinc/61/45/78/569614578.db2.gz SGJVXBSRJVPBIB-UHFFFAOYSA-N 0 0 484.575 4.472 50 0 JIAARN Cc1cccc(N2CCN(CCNC(=O)[C@H](C)N3c4ccccc4SC(C)(C)CC3=O)CC2)c1C ZINC000063502576 569615283 /nfs/dbraw/zinc/61/52/83/569615283.db2.gz BKSDOIVOOUQAEF-QFIPXVFZSA-N 0 0 494.705 4.238 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCC([NH+]4CCCCC4)CC3)cc2C(=O)[O-])cc1 ZINC000033007386 569615392 /nfs/dbraw/zinc/61/53/92/569615392.db2.gz PMIATTPKFGTRMS-UHFFFAOYSA-N 0 0 487.622 4.039 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC([NH+]4CCCCC4)CC3)cc2C(=O)[O-])c(C)c1 ZINC000033007261 569615454 /nfs/dbraw/zinc/61/54/54/569615454.db2.gz NESAYFLNOQPLBA-UHFFFAOYSA-N 0 0 471.623 4.257 50 0 JIAARN CCOC(=O)C[C@H](NC(=O)Nc1cc2sc(NC(=O)CC)nc2c(OC)c1)c1ccccc1 ZINC000033008457 569615899 /nfs/dbraw/zinc/61/58/99/569615899.db2.gz UZIASORDZJZWBT-INIZCTEOSA-N 0 0 470.551 4.469 50 0 JIAARN COc1ccccc1NC(=O)Cn1cnc2sc(-c3nc(-c4ccc(F)cc4)no3)c(C)c2c1=O ZINC000064439214 569616818 /nfs/dbraw/zinc/61/68/18/569616818.db2.gz OESNWHIBPUAKEN-UHFFFAOYSA-N 0 0 491.504 4.270 50 0 JIAARN Cc1c(-c2nc(-c3ccncc3)no2)sc2ncn(CC(=O)Nc3cccc(C)c3C)c(=O)c12 ZINC000064439255 569616836 /nfs/dbraw/zinc/61/68/36/569616836.db2.gz LMRKUOAXGIZVRQ-UHFFFAOYSA-N 0 0 472.530 4.134 50 0 JIAARN CCCc1nnc(C(=O)Nc2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2)s1 ZINC000033011129 569616927 /nfs/dbraw/zinc/61/69/27/569616927.db2.gz DAUUROFCEHDYID-UHFFFAOYSA-N 0 0 469.998 4.359 50 0 JIAARN O=C(c1ccccc1OCc1nc(-c2ccccc2)no1)N1CCN(Cc2ccccc2)CC1 ZINC000033012858 569617519 /nfs/dbraw/zinc/61/75/19/569617519.db2.gz GNTGACNUHPMKAH-UHFFFAOYSA-N 0 0 454.530 4.274 50 0 JIAARN CC[C@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C)c4C)CC3)ccc21 ZINC000033023129 569619355 /nfs/dbraw/zinc/61/93/55/569619355.db2.gz PPEDNTJMAWDTTO-KRWDZBQOSA-N 0 0 469.611 4.059 50 0 JIAARN Cn1nc(-c2nnc(-c3ccccc3)o2)c2c1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC000064566702 569619630 /nfs/dbraw/zinc/61/96/30/569619630.db2.gz LJQCJISVSLTBNQ-UHFFFAOYSA-N 0 0 477.590 4.182 50 0 JIAARN COc1ccc(-c2noc(-c3ccc(NC(=O)[C@@H]4CC(=O)N(c5ccc(OC)cc5)C4)cc3)n2)cc1 ZINC000064580034 569620356 /nfs/dbraw/zinc/62/03/56/569620356.db2.gz YWCFLUSCPJKFSN-LJQANCHMSA-N 0 0 484.512 4.412 50 0 JIAARN CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000064579539 569620486 /nfs/dbraw/zinc/62/04/86/569620486.db2.gz MSHODHCSMDOSMU-UHFFFAOYSA-N 0 0 497.599 4.275 50 0 JIAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)CC1)NCc1ccccc1 ZINC000033025032 569620534 /nfs/dbraw/zinc/62/05/34/569620534.db2.gz IEKPYWSJXADMGQ-UHFFFAOYSA-N 0 0 498.008 4.003 50 0 JIAARN Cn1c2cc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)c(SC3CCCCC3)cc2n(C)c1=O ZINC000064580856 569620733 /nfs/dbraw/zinc/62/07/33/569620733.db2.gz SCOGPYIHJYMZOW-KRWDZBQOSA-N 0 0 478.618 4.293 50 0 JIAARN O=C(CSc1nnc2n1c1ccsc1c(=O)n2Cc1ccco1)Nc1ccc(Cl)cc1F ZINC000064590708 569621683 /nfs/dbraw/zinc/62/16/83/569621683.db2.gz FJOMNMDXIFSJFM-UHFFFAOYSA-N 0 0 489.941 4.270 50 0 JIAARN CCc1ccccc1NC(=O)Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2ccc(C)nc21 ZINC000064591182 569621810 /nfs/dbraw/zinc/62/18/10/569621810.db2.gz PRUJRDKSZGTOKH-UHFFFAOYSA-N 0 0 495.988 4.392 50 0 JIAARN CCC(=O)Nc1nc2cc(NC(=O)CN3C(=O)COc4ccc(C(C)(C)C)cc43)ccc2s1 ZINC000033261492 569621913 /nfs/dbraw/zinc/62/19/13/569621913.db2.gz CUGQOHAUQYNYLG-UHFFFAOYSA-N 0 0 466.563 4.306 50 0 JIAARN Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)cc(NC(=O)c3ccccc3)c2=O)cc1C ZINC000064605132 569622544 /nfs/dbraw/zinc/62/25/44/569622544.db2.gz OTAMBVUSFKDZCB-UHFFFAOYSA-N 0 0 452.514 4.418 50 0 JIAARN Cc1ccc(-c2cc(NC(=O)c3ccccc3)c(=O)n(CC(=O)Nc3c(F)cccc3F)n2)cc1 ZINC000064605145 569622575 /nfs/dbraw/zinc/62/25/75/569622575.db2.gz UYLBIOHGELWOGX-UHFFFAOYSA-N 0 0 474.467 4.388 50 0 JIAARN CCOc1ccc(-c2ccc(=O)n(CCc3nc(-c4cccc(Br)c4)no3)n2)cc1 ZINC000033309836 569622656 /nfs/dbraw/zinc/62/26/56/569622656.db2.gz NMJNCGNGZILZHO-UHFFFAOYSA-N 0 0 467.323 4.364 50 0 JIAARN COc1ccccc1N1CCN(c2ccnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2)CC1 ZINC000033309886 569622660 /nfs/dbraw/zinc/62/26/60/569622660.db2.gz NMWWCVMJNWYPOT-UHFFFAOYSA-N 0 0 477.634 4.468 50 0 JIAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3ccc(Br)cc3)n2)cc1 ZINC000064605303 569622679 /nfs/dbraw/zinc/62/26/79/569622679.db2.gz IFZWOJQGOISFKR-UHFFFAOYSA-N 0 0 483.366 4.214 50 0 JIAARN COc1ccc(OC)c(-c2ccc(=O)n(CCc3nc(-c4ccc(OC(C)C)cc4)no3)n2)c1 ZINC000033309841 569622699 /nfs/dbraw/zinc/62/26/99/569622699.db2.gz VKBIOGJRWHQZCM-UHFFFAOYSA-N 0 0 462.506 4.007 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccc(C)cc2)cc(NC(=O)C(C)C)c1=O ZINC000064605324 569622708 /nfs/dbraw/zinc/62/27/08/569622708.db2.gz QSKGMKSZDXXTMV-UHFFFAOYSA-N 0 0 468.941 4.114 50 0 JIAARN CCN(CCCNC(=O)CCc1nnc2ccc(-c3ccc(C)c(C)c3)nn21)c1ccccc1 ZINC000033309604 569622724 /nfs/dbraw/zinc/62/27/24/569622724.db2.gz DEWMYIIEMLASJS-UHFFFAOYSA-N 0 0 456.594 4.374 50 0 JIAARN COc1cccc(-c2ccc(=O)n(CCc3nc(-c4ccc(F)c(Br)c4)no3)n2)c1 ZINC000033309821 569622756 /nfs/dbraw/zinc/62/27/56/569622756.db2.gz ZBHUZJUMQJHBCG-UHFFFAOYSA-N 0 0 471.286 4.113 50 0 JIAARN Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)N4CCN(c5ccc(F)cc5)CC4)c3)n2)cc1 ZINC000064610917 569622932 /nfs/dbraw/zinc/62/29/32/569622932.db2.gz VZNPMXHJCXHIOA-UHFFFAOYSA-N 0 0 478.549 4.362 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)cc1 ZINC000033318471 569623130 /nfs/dbraw/zinc/62/31/30/569623130.db2.gz HNOYXACWUCKTNY-UHFFFAOYSA-N 0 0 453.568 4.328 50 0 JIAARN Cc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1ccccc1F)n2C ZINC000033321024 569623543 /nfs/dbraw/zinc/62/35/43/569623543.db2.gz AHOCIWZQMMSHQB-UHFFFAOYSA-N 0 0 460.509 4.011 50 0 JIAARN CC(C)Cn1c(SCC(=O)NCc2ccc(F)cc2)nc2c3cccnc3sc2c1=O ZINC000064699861 569624042 /nfs/dbraw/zinc/62/40/42/569624042.db2.gz JBKXMIBUSGIZOM-UHFFFAOYSA-N 0 0 456.568 4.210 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CSc1nnc2c3ccccc3nc(-c3ccco3)n12 ZINC000033328834 569624096 /nfs/dbraw/zinc/62/40/96/569624096.db2.gz GYJMTZUGMDBCJL-UHFFFAOYSA-N 0 0 459.487 4.055 50 0 JIAARN COc1ccccc1CN1CCc2nc(SCC(=O)Nc3ccccc3Cl)[nH]c(=O)c2C1 ZINC000033331774 569624359 /nfs/dbraw/zinc/62/43/59/569624359.db2.gz OOXIFKMFGRXTFQ-UHFFFAOYSA-N 0 0 470.982 4.133 50 0 JIAARN Cc1ccc(-c2nc3sc(N(C)CC(=O)NCc4ccco4)nn3c2NC(C)(C)C)cc1 ZINC000064704007 569624639 /nfs/dbraw/zinc/62/46/39/569624639.db2.gz XIGDVKQOABOWSH-UHFFFAOYSA-N 0 0 452.584 4.322 50 0 JIAARN Cc1noc(C)c1CCNC(=O)CN(C)c1nn2c(nc(-c3ccc(C)cc3)c2NC(C)(C)C)s1 ZINC000064704114 569624770 /nfs/dbraw/zinc/62/47/70/569624770.db2.gz GUQHJIYLHNEAEO-UHFFFAOYSA-N 0 0 495.653 4.377 50 0 JIAARN COC(=O)c1ccccc1NC(=O)Cn1cnc2c(sc3nc(C)cc(-c4ccccc4)c32)c1=O ZINC000064734250 569625258 /nfs/dbraw/zinc/62/52/58/569625258.db2.gz KZWMUDOOXGLQCU-UHFFFAOYSA-N 0 0 484.537 4.407 50 0 JIAARN COc1ccc(OC)c(NC(=O)Cn2cnc3c4ccc(-c5ccccc5)nc4sc3c2=O)c1 ZINC000064746938 569625863 /nfs/dbraw/zinc/62/58/63/569625863.db2.gz JTPPSWHUMUXMPV-UHFFFAOYSA-N 0 0 472.526 4.329 50 0 JIAARN COc1cc(CNS(=O)(=O)c2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)cc(OC)c1OC ZINC000064747805 569626156 /nfs/dbraw/zinc/62/61/56/569626156.db2.gz VCPKLBBGNYPHGT-UHFFFAOYSA-N 0 0 495.557 4.216 50 0 JIAARN O=C(c1ccc(Br)o1)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1 ZINC000064761590 569626178 /nfs/dbraw/zinc/62/61/78/569626178.db2.gz QHLMZYGETJOHHF-UHFFFAOYSA-N 0 0 485.382 4.336 50 0 JIAARN CC1CCN(C(=O)c2cnn3ccc(C4CCN(C(=O)Cc5cccs5)CC4)cc23)CC1 ZINC000064761611 569626190 /nfs/dbraw/zinc/62/61/90/569626190.db2.gz ALURCXKXXOHNPI-UHFFFAOYSA-N 0 0 450.608 4.217 50 0 JIAARN COc1cc(CCC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc(OC)c1OC ZINC000064775785 569627715 /nfs/dbraw/zinc/62/77/15/569627715.db2.gz NZLPMUKPBAZDLW-UHFFFAOYSA-N 0 0 474.557 4.164 50 0 JIAARN COc1cccc(-c2csc3ncc(C(=O)Nc4ccccc4Br)c(=O)n23)c1 ZINC000064787931 569628107 /nfs/dbraw/zinc/62/81/07/569628107.db2.gz UJSRFCKCBQQGSE-UHFFFAOYSA-N 0 0 456.321 4.446 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000064789652 569628479 /nfs/dbraw/zinc/62/84/79/569628479.db2.gz AKLCOMMVPALIJJ-UHFFFAOYSA-N 0 0 487.581 4.445 50 0 JIAARN CC(=O)N(Cc1ccc(C)cc1)c1nc2ccccc2n(CC(=O)Nc2c(F)cccc2F)c1=O ZINC000064791332 569628840 /nfs/dbraw/zinc/62/88/40/569628840.db2.gz UKIWRTNNLOEYSA-UHFFFAOYSA-N 0 0 476.483 4.175 50 0 JIAARN CC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O ZINC000064791402 569628937 /nfs/dbraw/zinc/62/89/37/569628937.db2.gz ASORTAGLZIUULU-UHFFFAOYSA-N 0 0 478.911 4.381 50 0 JIAARN Cc1cc(Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791469 569629048 /nfs/dbraw/zinc/62/90/48/569629048.db2.gz GRUPYUOMZWCRHT-UHFFFAOYSA-N 0 0 490.571 4.201 50 0 JIAARN Cc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)NCc2ccc(F)cc2)cc1 ZINC000064793364 569629496 /nfs/dbraw/zinc/62/94/96/569629496.db2.gz UUURRZFUWVBHBO-VWLOTQADSA-N 0 0 468.536 4.196 50 0 JIAARN Cc1ccc([C@@H]2C=C(c3ccccc3)N(CC(=O)Nc3ccc(F)c(F)c3)c3nnnn32)cc1 ZINC000064793224 569629502 /nfs/dbraw/zinc/62/95/02/569629502.db2.gz MHIJAFLLJAJFOM-QHCPKHFHSA-N 0 0 458.472 4.349 50 0 JIAARN COc1ccc(NC(=O)CN2c3nnnn3[C@@H](c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 ZINC000064793624 569629617 /nfs/dbraw/zinc/62/96/17/569629617.db2.gz NRXDHHAMEWAVRU-HSZRJFAPSA-N 0 0 472.936 4.424 50 0 JIAARN COc1ccc(CNC(=O)CN2c3nnnn3[C@@H](c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 ZINC000064793646 569629699 /nfs/dbraw/zinc/62/96/99/569629699.db2.gz OXSMQTUMSYYWEM-XMMPIXPASA-N 0 0 486.963 4.102 50 0 JIAARN COc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c(OC)c1OC ZINC000064797891 569630514 /nfs/dbraw/zinc/63/05/14/569630514.db2.gz RUWURGCCFIDYTB-HNNXBMFYSA-N 0 0 459.545 4.081 50 0 JIAARN Cc1ccc(Nc2nc(C)cc(N3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)CC3)n2)cc1 ZINC000064800622 569631393 /nfs/dbraw/zinc/63/13/93/569631393.db2.gz AHODGKWZYIZGQR-UHFFFAOYSA-N 0 0 491.539 4.367 50 0 JIAARN COc1ccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCC2)c(OC)c1 ZINC000064815813 569632855 /nfs/dbraw/zinc/63/28/55/569632855.db2.gz BRYIXXJFMNHABF-AREMUKBSSA-N 0 0 494.617 4.102 50 0 JIAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4ccco4)cc3C(=O)N2c2cccc(F)c2)cc1 ZINC000064815993 569632912 /nfs/dbraw/zinc/63/29/12/569632912.db2.gz BSPCDXXVTJPMEN-AREMUKBSSA-N 0 0 474.492 4.026 50 0 JIAARN COc1ccc(CN2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000064816125 569633163 /nfs/dbraw/zinc/63/31/63/569633163.db2.gz CIJXHNVVXZFQBP-MHZLTWQESA-N 0 0 488.519 4.022 50 0 JIAARN COc1ccccc1N1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064816146 569633237 /nfs/dbraw/zinc/63/32/37/569633237.db2.gz QXTBGDRJLDPGKY-AREMUKBSSA-N 0 0 474.492 4.026 50 0 JIAARN Cc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4ccco4)cc3C(=O)N2Cc2ccccc2)cc1 ZINC000064816155 569633244 /nfs/dbraw/zinc/63/32/44/569633244.db2.gz NJENPHYANUWGIP-HHHXNRCGSA-N 0 0 454.530 4.183 50 0 JIAARN Cc1ccccc1CNC(=O)[C@]1(C)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccccc1C ZINC000064816378 569633454 /nfs/dbraw/zinc/63/34/54/569633454.db2.gz AQXJVSONFMJEIW-NDEPHWFRSA-N 0 0 468.557 4.491 50 0 JIAARN Cc1ccccc1CNC(=O)[C@@]1(C)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1cccc(F)c1 ZINC000064816381 569633497 /nfs/dbraw/zinc/63/34/97/569633497.db2.gz GCFFPHYTILWQQI-HHHXNRCGSA-N 0 0 472.520 4.322 50 0 JIAARN 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Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 ZINC000071768672 569697659 /nfs/dbraw/zinc/69/76/59/569697659.db2.gz KFYMRHLYYFTIMZ-UHFFFAOYSA-N 0 0 468.439 4.452 50 0 JIAARN CC(=O)OCCC[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)[C@@]4(O)C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000071770816 569697807 /nfs/dbraw/zinc/69/78/07/569697807.db2.gz IXVIMBALVFGAKY-QZTXSJJBSA-N 0 0 464.643 4.396 50 0 JIAARN COCC1CCN(c2c3cc(F)ccc3ncc2S(=O)(=O)c2cc(F)cc(F)c2)CC1 ZINC000071775279 569698172 /nfs/dbraw/zinc/69/81/72/569698172.db2.gz CIASWMBSEXLWGZ-UHFFFAOYSA-N 0 0 450.482 4.348 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c(C)c1 ZINC000035512039 569698534 /nfs/dbraw/zinc/69/85/34/569698534.db2.gz YMJQEBNGXYEKBT-MRXNPFEDSA-N 0 0 474.583 4.115 50 0 JIAARN Cc1ccc(-c2noc([C@H]3CCCN3C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1 ZINC000035527796 569699440 /nfs/dbraw/zinc/69/94/40/569699440.db2.gz MZUSWOZNBYRKTI-FXAWDEMLSA-N 0 0 450.926 4.415 50 0 JIAARN COc1cc(OC)c(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)ccc32)cc1Cl ZINC000035528243 569699637 /nfs/dbraw/zinc/69/96/37/569699637.db2.gz SCADVJZDINONCY-UHFFFAOYSA-N 0 0 491.931 4.245 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)N1CCC(C)(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000035530491 569700343 /nfs/dbraw/zinc/70/03/43/569700343.db2.gz CPYQVVNZVLAVOP-UHFFFAOYSA-N 0 0 459.930 4.028 50 0 JIAARN CC(C)c1ccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3C[C@@H]2CCCO2)cc1 ZINC000035532415 569700837 /nfs/dbraw/zinc/70/08/37/569700837.db2.gz BIOJMMZNPWTTPT-KRWDZBQOSA-N 0 0 483.619 4.139 50 0 JIAARN Cc1ccccc1-c1cc(NC(=O)Cc2csc(N3CCNC3=O)n2)n(Cc2ccccc2)n1 ZINC000072230560 569700981 /nfs/dbraw/zinc/70/09/81/569700981.db2.gz DEKKJDQMDFXUIC-UHFFFAOYSA-N 0 0 472.574 4.074 50 0 JIAARN O=C(CN1CCC(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CC1)Nc1ccccc1 ZINC000072271140 569701192 /nfs/dbraw/zinc/70/11/92/569701192.db2.gz NRKJMRHZGIIQMF-UHFFFAOYSA-N 0 0 477.590 4.225 50 0 JIAARN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)c2)c1 ZINC000072272844 569701476 /nfs/dbraw/zinc/70/14/76/569701476.db2.gz XLAYVHWMKPSZQL-UHFFFAOYSA-N 0 0 478.574 4.010 50 0 JIAARN COc1ccc2c(c1)n(CC(=O)Nc1ccc(Br)cc1)cc(C(=O)c1ccncc1)c2=O ZINC000035535246 569701738 /nfs/dbraw/zinc/70/17/38/569701738.db2.gz OBHIXQWMFGTCEJ-UHFFFAOYSA-N 0 0 492.329 4.037 50 0 JIAARN COc1cccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Br)ccc32)c1 ZINC000035535332 569701816 /nfs/dbraw/zinc/70/18/16/569701816.db2.gz XXPGRYPBCGOJSK-UHFFFAOYSA-N 0 0 492.329 4.037 50 0 JIAARN CC(=O)Nc1cc(C(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)ccc1C ZINC000035553067 569702388 /nfs/dbraw/zinc/70/23/88/569702388.db2.gz LJSHPJQKEXMIII-UHFFFAOYSA-N 0 0 459.550 4.233 50 0 JIAARN CC(=O)c1ccc(N2CCN(c3c(C(=O)N4CCSCC4)cnc4ccc(F)cc43)CC2)cc1 ZINC000072328425 569702445 /nfs/dbraw/zinc/70/24/45/569702445.db2.gz PSKMRNVURDWAIF-UHFFFAOYSA-N 0 0 478.593 4.092 50 0 JIAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000035554105 569702680 /nfs/dbraw/zinc/70/26/80/569702680.db2.gz 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JIAARN CC1CCN(C(=O)C[C@@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000035559649 569703937 /nfs/dbraw/zinc/70/39/37/569703937.db2.gz ANEPVAFXVRBWQK-JOCHJYFZSA-N 0 0 491.451 4.386 50 0 JIAARN CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCc3ccc(F)cc3)n2Cc2ccccc2)c1 ZINC000035561381 569704408 /nfs/dbraw/zinc/70/44/08/569704408.db2.gz QRAKEWFOMMGPRA-UHFFFAOYSA-N 0 0 465.550 4.009 50 0 JIAARN NC(=O)CCSc1ccccc1NC(=O)c1ccc(Cl)cc1I ZINC000078449163 569706091 /nfs/dbraw/zinc/70/60/91/569706091.db2.gz NIJMZSFUGAKHCA-UHFFFAOYSA-N 0 0 460.724 4.164 50 0 JIAARN COCCOc1ccc(NC(=O)N(Cc2ccccc2)[C@@H](C)CN2CCOCC2)cc1Cl ZINC000078747755 569706588 /nfs/dbraw/zinc/70/65/88/569706588.db2.gz MIQISOWRALMDMW-IBGZPJMESA-N 0 0 461.990 4.120 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(F)cc2)cc1 ZINC000035681205 569706656 /nfs/dbraw/zinc/70/66/56/569706656.db2.gz SNHLIUXZWSSJAM-SXGWCWSVSA-N 0 0 469.563 4.177 50 0 JIAARN CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccc(OC)c3)C2)cc1 ZINC000079112475 569706847 /nfs/dbraw/zinc/70/68/47/569706847.db2.gz DGMOOKXHTNMENA-NRFANRHFSA-N 0 0 453.520 4.041 50 0 JIAARN CCS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2ccc(Br)o2)[C@@H](c2ccco2)C1 ZINC000079112144 569706868 /nfs/dbraw/zinc/70/68/68/569706868.db2.gz YITJGVLVLWZCPU-MRXNPFEDSA-N 0 0 492.351 4.388 50 0 JIAARN CCc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000035729492 569709077 /nfs/dbraw/zinc/70/90/77/569709077.db2.gz KXZDIIQDDCBWGV-QGZVFWFLSA-N 0 0 465.535 4.131 50 0 JIAARN COc1ccc(CCN(Cc2ccco2)C(=O)CN(C(=O)c2ccccc2OC)C(C)C)cc1OC ZINC000035764789 569709754 /nfs/dbraw/zinc/70/97/54/569709754.db2.gz MLNZTADFCCQHDV-UHFFFAOYSA-N 0 0 494.588 4.428 50 0 JIAARN Cc1ccccc1C(=O)N(CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1 ZINC000035767352 569709939 /nfs/dbraw/zinc/70/99/39/569709939.db2.gz UQCASJHICMFCAD-QHCPKHFHSA-N 0 0 490.556 4.167 50 0 JIAARN CCOCCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CC(C)(C)C)cc2)n1 ZINC000035806590 569711379 /nfs/dbraw/zinc/71/13/79/569711379.db2.gz LUZSYSRUAZHODF-UHFFFAOYSA-N 0 0 466.538 4.453 50 0 JIAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCCC4)cs3)CC2)cc1 ZINC000085641820 569711557 /nfs/dbraw/zinc/71/15/57/569711557.db2.gz AMVOEZJLDCIFRQ-UHFFFAOYSA-N 0 0 489.663 4.112 50 0 JIAARN CCOc1ccc(-c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)no2)cc1OCC ZINC000085642026 569711573 /nfs/dbraw/zinc/71/15/73/569711573.db2.gz DYGOBPOTFKHRNY-UHFFFAOYSA-N 0 0 457.552 4.376 50 0 JIAARN Cc1nc(C)c(Cc2ccc(Cl)cc2)c(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000035807022 569711652 /nfs/dbraw/zinc/71/16/52/569711652.db2.gz IATVLKRJOWTFLK-UHFFFAOYSA-N 0 0 464.953 4.029 50 0 JIAARN COCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)c1ccco1 ZINC000035808126 569711874 /nfs/dbraw/zinc/71/18/74/569711874.db2.gz PHOXCMGNQCMHEX-UHFFFAOYSA-N 0 0 484.574 4.086 50 0 JIAARN COc1ccc(-c2noc(-c3ccc(CS(=O)(=O)Cc4ccccc4F)o3)n2)cc1OC ZINC000085644239 569712018 /nfs/dbraw/zinc/71/20/18/569712018.db2.gz TVOALKREOYJZPY-UHFFFAOYSA-N 0 0 458.467 4.268 50 0 JIAARN COc1ccc(-c2noc(-c3ccc(CS(=O)(=O)Cc4ccccc4C)o3)n2)cc1OC ZINC000085644182 569712035 /nfs/dbraw/zinc/71/20/35/569712035.db2.gz LTXOLJHOYHDCKU-UHFFFAOYSA-N 0 0 454.504 4.437 50 0 JIAARN COCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)CC(C)C ZINC000035829201 569712902 /nfs/dbraw/zinc/71/29/02/569712902.db2.gz POCGJJRNRWZKNQ-UHFFFAOYSA-N 0 0 496.579 4.372 50 0 JIAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCc2c(sc3nc(-c4ccc(Cl)cc4)nn23)C1 ZINC000085651429 569713168 /nfs/dbraw/zinc/71/31/68/569713168.db2.gz YHEXFJLJIAIRTF-UHFFFAOYSA-N 0 0 467.938 4.473 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)Cn1c(=O)sc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000085651948 569713577 /nfs/dbraw/zinc/71/35/77/569713577.db2.gz RPYNAWHQMKEAOF-UHFFFAOYSA-N 0 0 494.038 4.228 50 0 JIAARN Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c2)ccc1=O ZINC000085652057 569713862 /nfs/dbraw/zinc/71/38/62/569713862.db2.gz MWINIXYSMFQMTH-UHFFFAOYSA-N 0 0 488.928 4.406 50 0 JIAARN Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)N(Cc3ccccc3)C(C)C)c2)ccc1=O ZINC000085652036 569713908 /nfs/dbraw/zinc/71/39/08/569713908.db2.gz AAUDTUPVYDGLTA-UHFFFAOYSA-N 0 0 492.601 4.412 50 0 JIAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc3[nH]2)cc1 ZINC000085653688 569714305 /nfs/dbraw/zinc/71/43/05/569714305.db2.gz PEJFTBLTHPHKIV-UHFFFAOYSA-N 0 0 470.529 4.355 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c1C ZINC000085712613 569715288 /nfs/dbraw/zinc/71/52/88/569715288.db2.gz OVCSTGIOXOGNBW-UHFFFAOYSA-N 0 0 456.564 4.208 50 0 JIAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cc3ccccc3[nH]c2=O)cc1 ZINC000085876098 569715881 /nfs/dbraw/zinc/71/58/81/569715881.db2.gz NSMDEPLXDLOJRR-KRWDZBQOSA-N 0 0 481.460 4.457 50 0 biogenic JIAARN COc1cccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000035848195 569716142 /nfs/dbraw/zinc/71/61/42/569716142.db2.gz NTSGWDVOSCHMQR-DAMQTCOWSA-N 0 0 482.511 4.397 50 0 JIAARN COC(=O)c1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(OC)cc5)coc-4c32)cc1 ZINC000085879794 569716467 /nfs/dbraw/zinc/71/64/67/569716467.db2.gz DRGAGIFQHMGHEJ-GOSISDBHSA-N 0 0 472.449 4.402 50 0 biogenic JIAARN Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(CC(=O)N3CCC[C@@H](C)C3)c(=O)c12 ZINC000085942089 569716669 /nfs/dbraw/zinc/71/66/69/569716669.db2.gz NJFUGZKJSBRORL-CYBMUJFWSA-N 0 0 483.981 4.395 50 0 JIAARN O=C1C[C@@H](c2ccc(F)c(Br)c2)c2c(=O)[nH]c(SCc3ccccc3)nc2N1 ZINC000086056957 569716955 /nfs/dbraw/zinc/71/69/55/569716955.db2.gz ZHMKMMBRSWGQFO-ZDUSSCGKSA-N 0 0 460.328 4.438 50 0 JIAARN CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)ccc1OC ZINC000086057795 569717598 /nfs/dbraw/zinc/71/75/98/569717598.db2.gz XMWGAHWSHLZTEH-MRXNPFEDSA-N 0 0 455.511 4.083 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CCOC)C(=O)c2cccc3ccccc32)c1C ZINC000035869114 569717927 /nfs/dbraw/zinc/71/79/27/569717927.db2.gz LIEQDBQHTLOIQW-SFHVURJKSA-N 0 0 450.535 4.321 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CCOC)C(=O)c2cccc3ccccc32)c1C ZINC000035869113 569717929 /nfs/dbraw/zinc/71/79/29/569717929.db2.gz LIEQDBQHTLOIQW-GOSISDBHSA-N 0 0 450.535 4.321 50 0 JIAARN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2cccc(-n3cc(Br)cn3)c2)C1 ZINC000089457720 569718429 /nfs/dbraw/zinc/71/84/29/569718429.db2.gz DUVDHKVQGFOFPN-KRWDZBQOSA-N 0 0 475.774 4.306 50 0 JIAARN CCn1cc([C@H](CC(=O)NCCCN2CCOCC2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000035872346 569719319 /nfs/dbraw/zinc/71/93/19/569719319.db2.gz KFUQODBLNIPWRZ-RUZDIDTESA-N 0 0 479.621 4.039 50 0 JIAARN O=S(=O)(CCSc1nnc(C2CC2)n1Cc1ccco1)c1ccc(Br)cc1 ZINC000089797892 569719845 /nfs/dbraw/zinc/71/98/45/569719845.db2.gz UUYAXIXZRQBTIU-UHFFFAOYSA-N 0 0 468.398 4.125 50 0 JIAARN COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)CN(Cc2ccc(F)cc2)C(=O)[C@H](C)O3)c1 ZINC000035884119 569720166 /nfs/dbraw/zinc/72/01/66/569720166.db2.gz PLVJHMVKSSZANO-INIZCTEOSA-N 0 0 464.493 4.405 50 0 JIAARN CCCSc1nc2ccccc2n1CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000089960408 569720568 /nfs/dbraw/zinc/72/05/68/569720568.db2.gz BIVHAFDBMPSFMV-UHFFFAOYSA-N 0 0 458.653 4.119 50 0 JIAARN COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)c(=O)oc21 ZINC000095470712 569723306 /nfs/dbraw/zinc/72/33/06/569723306.db2.gz PNUSQSFAOJCMAT-UHFFFAOYSA-N 0 0 464.499 4.163 50 0 JIAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CCCOc2ccccc2Cl)CC1 ZINC000035900094 569723344 /nfs/dbraw/zinc/72/33/44/569723344.db2.gz FDPPFJIHYZNGCE-UHFFFAOYSA-N 0 0 463.814 4.422 50 0 JIAARN CN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000095474075 569724080 /nfs/dbraw/zinc/72/40/80/569724080.db2.gz RQBJLHJFLJLWAV-PWAXXQIMSA-N 0 0 465.597 4.455 50 0 JIAARN COc1ccc2cc([C@@H]3SC(C)=Nc4c3c(=O)[nH]n4[C@@H]3CCOC(C)(C)C3)c(=O)[nH]c2c1 ZINC000095474470 569724099 /nfs/dbraw/zinc/72/40/99/569724099.db2.gz BKEHFQLCTYRNQS-KUHUBIRLSA-N 0 0 454.552 4.043 50 0 JIAARN COc1ccc(CN2CCN(C(=O)c3cn(C(C)C)c4ccccc34)CC2)c(OC)c1OC ZINC000095476027 569724374 /nfs/dbraw/zinc/72/43/74/569724374.db2.gz VDRLXHRGRUWXOT-UHFFFAOYSA-N 0 0 451.567 4.206 50 0 JIAARN COc1ccc(CC(=O)Nc2ccc3c(c2)CN(Cc2cccc(OC)c2OC)C(=O)[C@@H](C)O3)cc1 ZINC000035909747 569724940 /nfs/dbraw/zinc/72/49/40/569724940.db2.gz UTEJMZDHYMBLET-GOSISDBHSA-N 0 0 490.556 4.203 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(CCc2ccc(F)cc2)C(=O)[C@H](C)O3)cc1F ZINC000035910012 569725242 /nfs/dbraw/zinc/72/52/42/569725242.db2.gz RRXDXDSENKCLSC-KRWDZBQOSA-N 0 0 486.540 4.426 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccccn4)n3c2=O)nn1-c1ccc(C)cc1C ZINC000035911741 569726827 /nfs/dbraw/zinc/72/68/27/569726827.db2.gz RKVBDKPJYLRIAO-UHFFFAOYSA-N 0 0 498.612 4.096 50 0 JIAARN CC[C@@H](C)NC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccc(C)cc4C)n3)c(=O)n12 ZINC000035911723 569726829 /nfs/dbraw/zinc/72/68/29/569726829.db2.gz KNROCJJBTRRTKT-MRXNPFEDSA-N 0 0 463.607 4.300 50 0 JIAARN CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cccc(Cl)c4)n3)c(=O)n12 ZINC000035911695 569726896 /nfs/dbraw/zinc/72/68/96/569726896.db2.gz SJCXZQVNFRLJCD-UHFFFAOYSA-N 0 0 469.998 4.338 50 0 JIAARN O=C(CN(CCc1ccccc1)C(=O)C1CCC1)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000095551396 569727659 /nfs/dbraw/zinc/72/76/59/569727659.db2.gz DKTBOGYXJGMELK-UHFFFAOYSA-N 0 0 497.643 4.054 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCN(C(=O)c4ccc(F)cc4)CC3)c12 ZINC000035912628 569727666 /nfs/dbraw/zinc/72/76/66/569727666.db2.gz YYHPFLRFQWKJNI-UHFFFAOYSA-N 0 0 472.568 4.424 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCN(C(=O)C4CC4)CC3)c12 ZINC000035912839 569727917 /nfs/dbraw/zinc/72/79/17/569727917.db2.gz DVOIGFYITMYSEJ-UHFFFAOYSA-N 0 0 466.589 4.082 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCN(C(=O)C4CCC4)CC3)c12 ZINC000035912849 569727933 /nfs/dbraw/zinc/72/79/33/569727933.db2.gz PNAWESCJXQYURZ-UHFFFAOYSA-N 0 0 480.616 4.472 50 0 JIAARN CCC[C@@H](Oc1cccn2c(=O)c(-c3cc(C)n(-c4cccc(F)c4)n3)c(C)nc12)C(=O)OCC ZINC000035924632 569728045 /nfs/dbraw/zinc/72/80/45/569728045.db2.gz MWGRWMCZVQRTLK-JOCHJYFZSA-N 0 0 478.524 4.414 50 0 JIAARN Cc1ccc(Nc2cc(-c3cccc(N4C(=O)c5ccccc5C4=O)c3)ncn2)cc1NS(C)(=O)=O ZINC000095641936 569728345 /nfs/dbraw/zinc/72/83/45/569728345.db2.gz CKUFOBCNTCLXJP-UHFFFAOYSA-N 0 0 499.552 4.368 50 0 JIAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3ccccc3OC)CC2)n1 ZINC000035925583 569728933 /nfs/dbraw/zinc/72/89/33/569728933.db2.gz MENRONXBYHXEHW-UHFFFAOYSA-N 0 0 470.577 4.129 50 0 JIAARN COC(=O)CN[C@H](c1ccc(Cl)cc1)c1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000095946340 569731061 /nfs/dbraw/zinc/73/10/61/569731061.db2.gz KBISMPZVZGTHBW-XMMPIXPASA-N 0 0 498.963 4.470 50 0 JIAARN COCCN(Cc1nn(-c2ccc(F)cc2)c2c1CN(Cc1ccc(F)cc1)CC2)C(=O)C1CCC1 ZINC000035928911 569731274 /nfs/dbraw/zinc/73/12/74/569731274.db2.gz DKXVKQYYOMTZJI-UHFFFAOYSA-N 0 0 494.586 4.484 50 0 JIAARN Cn1nc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc(-c3ccc(F)cc3)c2c1N ZINC000035930176 569731506 /nfs/dbraw/zinc/73/15/06/569731506.db2.gz RAIJUNSZSOSVRG-UHFFFAOYSA-N 0 0 471.462 4.097 50 0 JIAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000035945050 569732386 /nfs/dbraw/zinc/73/23/86/569732386.db2.gz YJSKGYQKSMZHNI-JOCHJYFZSA-N 0 0 491.629 4.246 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1F)C(=O)C1CC1 ZINC000035945840 569733005 /nfs/dbraw/zinc/73/30/05/569733005.db2.gz VDKSTBAHBVELEO-QFIPXVFZSA-N 0 0 457.933 4.042 50 0 JIAARN COc1ccc2cc([C@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(O)cc6)coc-5c43)c(=O)[nH]c2c1 ZINC000096113915 569733035 /nfs/dbraw/zinc/73/30/35/569733035.db2.gz RETMXRSRBQAOML-QGZVFWFLSA-N 0 0 497.459 4.162 50 0 biogenic JIAARN COc1ccc2cc([C@@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(O)cc6)coc-5c43)c(=O)[nH]c2c1 ZINC000096113914 569733108 /nfs/dbraw/zinc/73/31/08/569733108.db2.gz RETMXRSRBQAOML-KRWDZBQOSA-N 0 0 497.459 4.162 50 0 biogenic JIAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(C)cc1 ZINC000035945944 569733101 /nfs/dbraw/zinc/73/31/01/569733101.db2.gz PVEXGUDVLAEQSY-JOCHJYFZSA-N 0 0 456.974 4.004 50 0 JIAARN COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc2c1OCO2 ZINC000096114700 569733842 /nfs/dbraw/zinc/73/38/42/569733842.db2.gz LSUIFTBMFOTOST-HYBUGGRVSA-N 0 0 457.438 4.062 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)cc1)C(=O)CC(C)(C)C ZINC000035946665 569733959 /nfs/dbraw/zinc/73/39/59/569733959.db2.gz QNSADNBFXUGPNH-OAQYLSRUSA-N 0 0 471.623 4.346 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1F)C(=O)C1CCCC1 ZINC000035946751 569733961 /nfs/dbraw/zinc/73/39/61/569733961.db2.gz XQYHRJKNWKRAAU-NRFANRHFSA-N 0 0 457.571 4.230 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(C)C(=O)C2CCCC2)cc1OC ZINC000035947061 569734229 /nfs/dbraw/zinc/73/42/29/569734229.db2.gz QAPGLYPFQPWMAR-QFIPXVFZSA-N 0 0 467.541 4.169 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1OC)C(=O)C1CCCC1 ZINC000035947085 569734257 /nfs/dbraw/zinc/73/42/57/569734257.db2.gz LKVBLXCOTKLKPZ-XMMPIXPASA-N 0 0 481.568 4.177 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(F)cc1)C(=O)C(C)C ZINC000035947497 569734462 /nfs/dbraw/zinc/73/44/62/569734462.db2.gz DXYJXGADYJSHPS-JOCHJYFZSA-N 0 0 459.949 4.288 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000035947808 569734756 /nfs/dbraw/zinc/73/47/56/569734756.db2.gz NCNQCFYQIMMKIE-RUZDIDTESA-N 0 0 499.567 4.491 50 0 JIAARN COc1cc(OC)c([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc1OC ZINC000096115860 569734892 /nfs/dbraw/zinc/73/48/92/569734892.db2.gz WMDRWROYIONUMG-WIOPSUGQSA-N 0 0 473.481 4.350 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccc(OC)cc1 ZINC000035948349 569735189 /nfs/dbraw/zinc/73/51/89/569735189.db2.gz YHUMZICWCDDLDT-QHCPKHFHSA-N 0 0 495.576 4.362 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1)C(=O)NC(C)C ZINC000035948893 569735740 /nfs/dbraw/zinc/73/57/40/569735740.db2.gz PKDJLDBTNZKIKQ-LJQANCHMSA-N 0 0 463.003 4.146 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN(C)C(=O)NC(C)(C)C)[C@H](c3ccc4c(c3)OCO4)C2)cc1C ZINC000035949142 569735903 /nfs/dbraw/zinc/73/59/03/569735903.db2.gz KLERSCPOQFAFQZ-NRFANRHFSA-N 0 0 464.566 4.150 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1OC)C(=O)CC(C)(C)C ZINC000035961047 569736773 /nfs/dbraw/zinc/73/67/73/569736773.db2.gz XTVXBMIAQIVVCL-HSZRJFAPSA-N 0 0 483.584 4.423 50 0 JIAARN COc1ccc([C@@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN(C)C(=O)c2cccs2)cc1 ZINC000035961971 569737346 /nfs/dbraw/zinc/73/73/46/569737346.db2.gz SWMIBEHMWIRTGJ-QFIPXVFZSA-N 0 0 463.559 4.215 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1Cl)C(=O)C(C)C ZINC000035962047 569737499 /nfs/dbraw/zinc/73/74/99/569737499.db2.gz YLKFZTRCQQNPPF-QHCPKHFHSA-N 0 0 471.985 4.157 50 0 JIAARN Cn1c2ccccc2cc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)c1=O ZINC000096222927 569739830 /nfs/dbraw/zinc/73/98/30/569739830.db2.gz LSOWDMBICCCUDK-IBGZPJMESA-N 0 0 465.461 4.459 50 0 biogenic JIAARN COCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H]1CCCO1 ZINC000035976354 569740476 /nfs/dbraw/zinc/74/04/76/569740476.db2.gz HPAKYARTMMTFIN-FQEVSTJZSA-N 0 0 471.504 4.405 50 0 JIAARN O=C(Oc1cccc(-c2cnc3ccccc3n2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000096564595 569741314 /nfs/dbraw/zinc/74/13/14/569741314.db2.gz BWBPLCCMQXFQPG-UHFFFAOYSA-N 0 0 459.527 4.301 50 0 JIAARN Cc1ccc(C(=O)N(CCN2CCOCC2)Cc2nccn2Cc2c(C)cc(C)cc2C)cc1 ZINC000035979759 569741618 /nfs/dbraw/zinc/74/16/18/569741618.db2.gz QSADKSLNILNFIY-UHFFFAOYSA-N 0 0 460.622 4.140 50 0 JIAARN O=C(Nc1ccc2c(c1)OCO2)c1cnn2c1nc(-c1ccc3c(c1)OCCO3)cc2C(F)(F)F ZINC000096581215 569741797 /nfs/dbraw/zinc/74/17/97/569741797.db2.gz IQJUOVFIGREUML-UHFFFAOYSA-N 0 0 484.390 4.167 50 0 JIAARN COCCCn1c(-c2ccc(Br)cc2)cs/c1=N/S(=O)(=O)c1ccccc1 ZINC000096609289 569742816 /nfs/dbraw/zinc/74/28/16/569742816.db2.gz MNFCBXUHURINHU-XUTLUUPISA-N 0 0 467.410 4.305 50 0 JIAARN O=C(Nc1ccc(Br)cc1F)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000096820688 569743294 /nfs/dbraw/zinc/74/32/94/569743294.db2.gz LETVUOTZHACGPZ-LDADJPATSA-N 0 0 454.259 4.472 50 0 JIAARN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1sc2ncccc2c1-n1cccc1 ZINC000096839808 569743338 /nfs/dbraw/zinc/74/33/38/569743338.db2.gz DEGUTDBXVMKCJW-UHFFFAOYSA-N 0 0 466.010 4.292 50 0 JIAARN CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccccc1C ZINC000035987582 569743439 /nfs/dbraw/zinc/74/34/39/569743439.db2.gz FZGYGYVGVPFNDV-XXBNENTESA-N 0 0 498.023 4.037 50 0 JIAARN Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccco3)=NN2C(=O)CN2CCOCC2)c1 ZINC000097104896 569744165 /nfs/dbraw/zinc/74/41/65/569744165.db2.gz OHHPFMPIDWLPJP-SANMLTNESA-N 0 0 495.583 4.451 50 0 JIAARN Cc1nc2c(cnn2-c2ccccc2Cl)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000035990654 569744211 /nfs/dbraw/zinc/74/42/11/569744211.db2.gz FJGNCHBTTHAWAA-UHFFFAOYSA-N 0 0 467.360 4.393 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)CN(Cc2cccnc2)C(=O)c2ccc(Cl)cc2)c(C)n1C ZINC000036000269 569745543 /nfs/dbraw/zinc/74/55/43/569745543.db2.gz 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Cc1cccc(C([C@H]2C(=O)c3ccccc3N(C)C2=O)[C@H]2C(=O)c3ccccc3N(C)C2=O)c1 ZINC000012749098 195104324 /nfs/dbraw/zinc/10/43/24/195104324.db2.gz HEIZCMBTZRCECF-ZEQRLZLVSA-N 0 0 452.510 4.030 50 0 JIAARN CCCCN1C(=O)c2ccc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cc2C1=O ZINC000012750828 195105857 /nfs/dbraw/zinc/10/58/57/195105857.db2.gz NIARHNHWYWXGRB-UHFFFAOYSA-N 0 0 462.333 4.100 50 0 JIAARN COC(=O)CCSc1nc2sc3c(c2c(=O)n1CCc1ccc(OC)c(OC)c1)CCCC3 ZINC000012756101 195108621 /nfs/dbraw/zinc/10/86/21/195108621.db2.gz MEXXSZQCPBWFQX-UHFFFAOYSA-N 0 0 488.631 4.252 50 0 JIAARN O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012762337 195111332 /nfs/dbraw/zinc/11/13/32/195111332.db2.gz IYGVHHZFUCQEPD-UHFFFAOYSA-N 0 0 486.590 4.014 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012762219 195111442 /nfs/dbraw/zinc/11/14/42/195111442.db2.gz FCLUTMBSPPOOBS-UHFFFAOYSA-N 0 0 484.906 4.076 50 0 JIAARN CNS(=O)(=O)c1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)ccc1Cl ZINC000012764692 195112786 /nfs/dbraw/zinc/11/27/86/195112786.db2.gz NJKMATMJOHYIOU-UHFFFAOYSA-N 0 0 461.952 4.048 50 0 JIAARN O=C(CCCn1c(=O)oc2ccccc21)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000012764365 195112818 /nfs/dbraw/zinc/11/28/18/195112818.db2.gz AKDBAMYBOXFWQU-UHFFFAOYSA-N 0 0 452.898 4.269 50 0 JIAARN Cc1cc(C)cc(-n2c(-c3ccccc3)cnc2S[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000012764907 195113051 /nfs/dbraw/zinc/11/30/51/195113051.db2.gz IZSBTHIRTCSMQH-FPOVZHCZSA-N 0 0 483.659 4.282 50 0 JIAARN COc1ccc(NC(=O)NC(=O)CSc2nc3ccccc3c(=O)n2[C@@H](C)c2ccccc2)cc1 ZINC000012766304 195113869 /nfs/dbraw/zinc/11/38/69/195113869.db2.gz KQLYWPURXUDBJZ-KRWDZBQOSA-N 0 0 488.569 4.455 50 0 JIAARN CCc1cccc(-n2c(SCC(=O)N(C)Cc3ccc(C)cc3C)nnc2N2CCOCC2)c1 ZINC000012767173 195114644 /nfs/dbraw/zinc/11/46/44/195114644.db2.gz JCSNBXGEDHHAGY-UHFFFAOYSA-N 0 0 479.650 4.034 50 0 JIAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)c2oc3ccccc3c2CSC)CC1 ZINC000012767376 195114878 /nfs/dbraw/zinc/11/48/78/195114878.db2.gz XDRACHADWVIZMW-UHFFFAOYSA-N 0 0 451.592 4.255 50 0 JIAARN CCOc1ccc([C@H](CNC(=O)c2ccccc2OCc2ccccc2)N2CCOCC2)cc1OC ZINC000012767651 195115121 /nfs/dbraw/zinc/11/51/21/195115121.db2.gz ZSABACMAWHQWAH-VWLOTQADSA-N 0 0 490.600 4.476 50 0 JIAARN CCCN(C(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c21)[C@@H]1CCS(=O)(=O)C1 ZINC000012768695 195115835 /nfs/dbraw/zinc/11/58/35/195115835.db2.gz MBMTUNVRRAKLPE-MRXNPFEDSA-N 0 0 479.624 4.015 50 0 JIAARN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCc1cccc(Cl)c1 ZINC000012770134 195116901 /nfs/dbraw/zinc/11/69/01/195116901.db2.gz UMNBMKCIWOIFCZ-UHFFFAOYSA-N 0 0 499.054 4.020 50 0 JIAARN O=S1(=O)CC[C@H](N2CCN(c3nc(-c4cccs4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000012774162 195119592 /nfs/dbraw/zinc/11/95/92/195119592.db2.gz JBDRVJSKRSHVKD-SFHVURJKSA-N 0 0 496.683 4.396 50 0 JIAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012774367 195119628 /nfs/dbraw/zinc/11/96/28/195119628.db2.gz ZZPOWOZTRQPQDL-UHFFFAOYSA-N 0 0 494.400 4.114 50 0 JIAARN Cc1cc(-c2cc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000012779990 195123744 /nfs/dbraw/zinc/12/37/44/195123744.db2.gz IIHZPMKUICALMN-UHFFFAOYSA-N 0 0 470.533 4.398 50 0 JIAARN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012780464 195124303 /nfs/dbraw/zinc/12/43/03/195124303.db2.gz KTEZCIFOIXVSNW-UHFFFAOYSA-N 0 0 498.933 4.466 50 0 JIAARN CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C ZINC000012784315 195126411 /nfs/dbraw/zinc/12/64/11/195126411.db2.gz VYLRPMSJIUTRDK-QGZVFWFLSA-N 0 0 491.727 4.160 50 0 JIAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccc(Br)cc1 ZINC000012785700 195127651 /nfs/dbraw/zinc/12/76/51/195127651.db2.gz CSXCFXGURLRYLS-UHFFFAOYSA-N 0 0 464.747 4.157 50 0 JIAARN COc1cc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3F)o2)cc(OC)c1OC ZINC000012787130 195129014 /nfs/dbraw/zinc/12/90/14/195129014.db2.gz XQYYSWJSEHSYSV-GFCCVEGCSA-N 0 0 463.487 4.105 50 0 JIAARN Cc1cccc(CN2CCN(C(=O)CSc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)c1 ZINC000012790733 195131583 /nfs/dbraw/zinc/13/15/83/195131583.db2.gz YRDHWULGHIUHME-UHFFFAOYSA-N 0 0 484.625 4.131 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)/C=C/c2cc(OC)cc(OC)c2)ccc1Cl ZINC000012790774 195131678 /nfs/dbraw/zinc/13/16/78/195131678.db2.gz PZIVABFWZDTPJF-JXMROGBWSA-N 0 0 452.960 4.040 50 0 JIAARN COc1cc(/C=C/C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)ccc1OCC(N)=O ZINC000012793476 195134021 /nfs/dbraw/zinc/13/40/21/195134021.db2.gz JJLPGDLTDVXLLL-JQIJEIRASA-N 0 0 496.567 4.084 50 0 JIAARN O=C(Nc1ccc(OC(F)F)cc1)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000012793928 195134228 /nfs/dbraw/zinc/13/42/28/195134228.db2.gz YVORVDOKSUUFDR-AREMUKBSSA-N 0 0 477.467 4.406 50 0 JIAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)C1=O ZINC000012794912 195134942 /nfs/dbraw/zinc/13/49/42/195134942.db2.gz RGTOJOXPGIEXMY-FQRUVTKNSA-N 0 0 476.602 4.293 50 0 JIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000012797657 195137219 /nfs/dbraw/zinc/13/72/19/195137219.db2.gz LDFPPTLSZYMDPJ-AWEZNQCLSA-N 0 0 470.784 4.197 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2n[nH]c(-c3ccc(Br)cc3)n2)cc1 ZINC000012797968 195137513 /nfs/dbraw/zinc/13/75/13/195137513.db2.gz AFNNHESPUZWBSV-LLVKDONJSA-N 0 0 460.357 4.312 50 0 JIAARN CCOc1c(Br)cc(/C=C2\N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc1OC ZINC000012805148 195141022 /nfs/dbraw/zinc/14/10/22/195141022.db2.gz TWPVJDOBYVZTFL-PDGQHHTCSA-N 0 0 485.334 4.328 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCc2ccc(F)cc2Cl)C(C)C)c1 ZINC000012810121 195143722 /nfs/dbraw/zinc/14/37/22/195143722.db2.gz RBZMVYZOELUGEY-NRFANRHFSA-N 0 0 499.004 4.007 50 0 JIAARN NC(=O)[C@@H]1CC(C(=O)Nc2ncc(Cc3cc(Cl)cc(Cl)c3)s2)=NN1c1ccccc1 ZINC000012810188 195143765 /nfs/dbraw/zinc/14/37/65/195143765.db2.gz GFAMWLCJNXYEIQ-SFHVURJKSA-N 0 0 474.373 4.099 50 0 JIAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000012814713 195146354 /nfs/dbraw/zinc/14/63/54/195146354.db2.gz NDXWVKLIYQMNBP-OAQYLSRUSA-N 0 0 481.597 4.301 50 0 JIAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000012819534 195148646 /nfs/dbraw/zinc/14/86/46/195148646.db2.gz RPUAMWVRDDTYOQ-HSZRJFAPSA-N 0 0 481.556 4.470 50 0 JIAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000012820957 195149271 /nfs/dbraw/zinc/14/92/71/195149271.db2.gz DZGOKXOSBUBJBO-MSOLQXFVSA-N 0 0 465.619 4.452 50 0 JIAARN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)c2cc(C)nc3c2c(C)nn3C)nc1C ZINC000012821124 195149407 /nfs/dbraw/zinc/14/94/07/195149407.db2.gz JQWQDUGOWRHMPN-UHFFFAOYSA-N 0 0 463.563 4.374 50 0 JIAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1Br ZINC000012821539 195149618 /nfs/dbraw/zinc/14/96/18/195149618.db2.gz QSZZXEOELPAKFI-MAUBAPBLSA-N 0 0 477.424 4.339 50 0 JIAARN O=C(NCc1nc2ccccc2s1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000012845641 195152091 /nfs/dbraw/zinc/15/20/91/195152091.db2.gz TUTFCJQORSHBGA-UHFFFAOYSA-N 0 0 464.012 4.444 50 0 JIAARN Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)nc(C(C)C)n1 ZINC000012846836 195152671 /nfs/dbraw/zinc/15/26/71/195152671.db2.gz SEOUCKFAGSNXIF-UHFFFAOYSA-N 0 0 462.925 4.092 50 0 JIAARN COc1ccccc1[C@@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NCc3ccc4c(c3)OCO4)c2N1 ZINC000012847577 195152963 /nfs/dbraw/zinc/15/29/63/195152963.db2.gz NRRJKKBSUSMFBT-JXFKEZNVSA-N 0 0 474.439 4.211 50 0 JIAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)NCC1(N2CCOCC2)CCCCC1 ZINC000012850330 195154549 /nfs/dbraw/zinc/15/45/49/195154549.db2.gz IGLJROZFVNKSPM-UHFFFAOYSA-N 0 0 468.978 4.002 50 0 JIAARN CN(CC(=O)Nc1ccccc1Br)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000012853182 195155689 /nfs/dbraw/zinc/15/56/89/195155689.db2.gz DDJSXUSKGKEXLC-UHFFFAOYSA-N 0 0 478.293 4.412 50 0 JIAARN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2cc3ccccc3o2)CC1 ZINC000012855185 195156988 /nfs/dbraw/zinc/15/69/88/195156988.db2.gz VLAKDOBVZMKRGG-UHFFFAOYSA-N 0 0 470.982 4.272 50 0 JIAARN CN(C)[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1Cl ZINC000012867459 195161926 /nfs/dbraw/zinc/16/19/26/195161926.db2.gz BYDRVKFBRWJJTO-IBGZPJMESA-N 0 0 454.924 4.389 50 0 JIAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000012868182 195162528 /nfs/dbraw/zinc/16/25/28/195162528.db2.gz OSBDFAGEMAVHLS-UHFFFAOYSA-N 0 0 456.955 4.128 50 0 JIAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012870514 195163066 /nfs/dbraw/zinc/16/30/66/195163066.db2.gz MHUGTIRYQHRRJG-JOCHJYFZSA-N 0 0 476.570 4.333 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3cccs3)c3ccc(C)cc3)CC2)cc1 ZINC000012870475 195163176 /nfs/dbraw/zinc/16/31/76/195163176.db2.gz OKQIPICFHQKKES-DEOSSOPVSA-N 0 0 484.643 4.372 50 0 JIAARN CCCN1CC(=O)N2C[C@H](c3ccc(Br)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012874998 195165420 /nfs/dbraw/zinc/16/54/20/195165420.db2.gz RCMAMXXFJKHDEP-KOSHJBKYSA-N 0 0 466.379 4.372 50 0 biogenic JIAARN CC(C)(C)c1ccc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000012874689 195165482 /nfs/dbraw/zinc/16/54/82/195165482.db2.gz GTANYQVQVWYLLC-UHFFFAOYSA-N 0 0 481.412 4.020 50 0 JIAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000012881175 195168618 /nfs/dbraw/zinc/16/86/18/195168618.db2.gz NHUAPCQDDYGCKT-FQEVSTJZSA-N 0 0 450.366 4.438 50 0 JIAARN COc1cc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c(OC)cc1Cl ZINC000012886969 195170952 /nfs/dbraw/zinc/17/09/52/195170952.db2.gz HXJIBJWTSSGKHH-UHFFFAOYSA-N 0 0 461.952 4.496 50 0 JIAARN COc1ccc(CNC(=O)COc2cc3c(c4oc(=O)c(C)c(C)c24)CCC(C)(C)O3)cc1OC ZINC000012887944 195171473 /nfs/dbraw/zinc/17/14/73/195171473.db2.gz NPQBHQAOMXZVTP-UHFFFAOYSA-N 0 0 481.545 4.226 50 0 biogenic JIAARN COc1cc(C(=O)NC[C@H](C(C)C)N2CCOCC2)cc(Br)c1OCc1ccccc1 ZINC000012888994 195171907 /nfs/dbraw/zinc/17/19/07/195171907.db2.gz AVVZIPRYGLTZPO-OAQYLSRUSA-N 0 0 491.426 4.123 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000012889208 195172097 /nfs/dbraw/zinc/17/20/97/195172097.db2.gz ZJRGHJODZZEUSA-UHFFFAOYSA-N 0 0 451.514 4.312 50 0 JIAARN Cc1oc2cc3oc(=O)c(CCC(=O)N4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c(C)c3cc2c1C ZINC000012890473 195172502 /nfs/dbraw/zinc/17/25/02/195172502.db2.gz GLJOAUXGSXNZQQ-MOPGFXCFSA-N 0 0 472.541 4.205 50 0 biogenic JIAARN O=C(CN1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1)Nc1ccccc1Cl ZINC000012900737 195177382 /nfs/dbraw/zinc/17/73/82/195177382.db2.gz DYKWNALBJNSGNU-UHFFFAOYSA-N 0 0 487.387 4.364 50 0 JIAARN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012892647 195173833 /nfs/dbraw/zinc/17/38/33/195173833.db2.gz MNDVQNBXHNRWIB-NRFANRHFSA-N 0 0 468.953 4.286 50 0 JIAARN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012892641 195173878 /nfs/dbraw/zinc/17/38/78/195173878.db2.gz MRXDBJRIGKZUHN-OAQYLSRUSA-N 0 0 450.963 4.147 50 0 JIAARN CCOc1ccccc1NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000012897875 195176059 /nfs/dbraw/zinc/17/60/59/195176059.db2.gz AQYAEVPGTASBFM-MHZLTWQESA-N 0 0 455.514 4.203 50 0 JIAARN O=C(COc1ccc(Cl)cc1Br)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012900669 195177322 /nfs/dbraw/zinc/17/73/22/195177322.db2.gz DBLYRECEZDVYAH-CQSZACIVSA-N 0 0 451.748 4.359 50 0 JIAARN O=C(c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000012862484 195159987 /nfs/dbraw/zinc/15/99/87/195159987.db2.gz SJVHKYAWASCZQQ-UHFFFAOYSA-N 0 0 471.948 4.186 50 0 JIAARN CCOC(CCn1c(SCC(=O)Nc2ccc(CC)cc2)nc2ccccc2c1=O)OCC ZINC000020644136 195194323 /nfs/dbraw/zinc/19/43/23/195194323.db2.gz XCMHNNOSVRKEFY-UHFFFAOYSA-N 0 0 469.607 4.479 50 0 JIAARN COCCn1c(=O)c2cc(Br)ccc2nc1SCCC(=O)N[C@@H](C)c1ccccc1 ZINC000012902097 195177793 /nfs/dbraw/zinc/17/77/93/195177793.db2.gz JWJKOUIQJAVTIX-HNNXBMFYSA-N 0 0 490.423 4.165 50 0 JIAARN COC(=O)c1ccc(NC(=O)Cc2c(C)c3c(OC)cc4c(c3oc2=O)CCC(C)(C)O4)cc1 ZINC000012903011 195178278 /nfs/dbraw/zinc/17/82/78/195178278.db2.gz YMOUPTICHKJLOT-UHFFFAOYSA-N 0 0 465.502 4.181 50 0 biogenic JIAARN O=C(COc1ccc(Br)cc1Br)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012906165 195179881 /nfs/dbraw/zinc/17/98/81/195179881.db2.gz BQXPTSKTVNRWHP-AWEZNQCLSA-N 0 0 496.199 4.468 50 0 JIAARN C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000012906481 195180127 /nfs/dbraw/zinc/18/01/27/195180127.db2.gz QWRWXGRICOLAOK-FZKQIMNGSA-N 0 0 471.804 4.133 50 0 JIAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1Br ZINC000012906761 195180143 /nfs/dbraw/zinc/18/01/43/195180143.db2.gz OWQCLRPMXWGUBM-INIZCTEOSA-N 0 0 491.451 4.216 50 0 JIAARN CC[C@H](C(=O)Nc1nn(Cc2cnn(CC)c2)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607645 195181795 /nfs/dbraw/zinc/18/17/95/195181795.db2.gz XVYCTRCLUNVMSV-OAHLLOKOSA-N 0 0 469.899 4.095 50 0 JIAARN CCOc1ccc(/N=c2\scc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)n2CCCO)cc1 ZINC000020608630 195182183 /nfs/dbraw/zinc/18/21/83/195182183.db2.gz YDQGRTHBTVWHJX-IZHYLOQSSA-N 0 0 489.663 4.261 50 0 JIAARN Cc1ccc(-n2c([O-])c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)n(-c3ccc(C)cc3)c2=O)cc1 ZINC000020610637 195183797 /nfs/dbraw/zinc/18/37/97/195183797.db2.gz ITQJVFHIDFFYEW-AREMUKBSSA-N 0 0 478.552 4.027 50 0 biogenic JIAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc12 ZINC000020616422 195188179 /nfs/dbraw/zinc/18/81/79/195188179.db2.gz PLMAHJATJPWBPZ-UHFFFAOYSA-N 0 0 487.625 4.453 50 0 JIAARN Cn1nc(C(F)(F)F)c2cc(C(=O)NCCCn3nc4c(c3C(F)(F)F)CCC4)sc21 ZINC000020617069 195188689 /nfs/dbraw/zinc/18/86/89/195188689.db2.gz QBHFFOIEFVREBR-UHFFFAOYSA-N 0 0 465.423 4.178 50 0 JIAARN Cn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000020677425 195202333 /nfs/dbraw/zinc/20/23/33/195202333.db2.gz NDPKFNJAZHYVNE-UHFFFAOYSA-N 0 0 477.952 4.030 50 0 JIAARN COC(CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O)OC ZINC000020735784 195212767 /nfs/dbraw/zinc/21/27/67/195212767.db2.gz NNRKANQZRNCGED-UUWRZZSWSA-N 0 0 498.988 4.016 50 0 JIAARN O=C(C1=C(c2ccccc2)SCCO1)N(Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000020720355 195206304 /nfs/dbraw/zinc/20/63/04/195206304.db2.gz ANWBYDCHSHBVEQ-QFIPXVFZSA-N 0 0 479.623 4.488 50 0 JIAARN C[C@@H](NC(=O)CN1c2ccccc2O/C(=C/c2ccccc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000020733077 195211248 /nfs/dbraw/zinc/21/12/48/195211248.db2.gz YLDGQIYOCXQWAO-BFTFCADCSA-N 0 0 456.498 4.102 50 0 JIAARN Cc1ccc(CNC(=O)C[C@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020850950 195231166 /nfs/dbraw/zinc/23/11/66/195231166.db2.gz LGRGXEIBPNTEHD-DEOSSOPVSA-N 0 0 452.551 4.129 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nc3nnc(C)c-3c(N)n2-c2ccc(CC)cc2)cc1 ZINC000020758913 195216985 /nfs/dbraw/zinc/21/69/85/195216985.db2.gz DWFLBCCMZZTSRE-UHFFFAOYSA-N 0 0 462.579 4.228 50 0 JIAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000020899286 195240913 /nfs/dbraw/zinc/24/09/13/195240913.db2.gz FMTXUUWSJDWJJK-UHFFFAOYSA-N 0 0 478.574 4.355 50 0 JIAARN CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000020914638 195246343 /nfs/dbraw/zinc/24/63/43/195246343.db2.gz PASQWJBVSAROBS-FQEVSTJZSA-N 0 0 461.488 4.075 50 0 JIAARN CCc1nn(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)c2cc3sc(C)cc3n21 ZINC000020862586 195233868 /nfs/dbraw/zinc/23/38/68/195233868.db2.gz JZZQXGNEXVWSMA-SIGOSDGXSA-N 0 0 452.624 4.303 50 0 JIAARN CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000020866338 195234470 /nfs/dbraw/zinc/23/44/70/195234470.db2.gz UODDUKAKCLRQLM-UHFFFAOYSA-N 0 0 473.525 4.283 50 0 JIAARN COc1ccc(NC(=O)CCCn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)c(OC)c1 ZINC000020866762 195234474 /nfs/dbraw/zinc/23/44/74/195234474.db2.gz YRPLVICHHRPHPK-UHFFFAOYSA-N 0 0 460.534 4.240 50 0 JIAARN CCCCN(C)C(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000020867598 195234850 /nfs/dbraw/zinc/23/48/50/195234850.db2.gz HCQXWEUXXXMDAM-STZFKDTASA-N 0 0 479.577 4.234 50 0 JIAARN COc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc(OC)c1O ZINC000020891399 195237584 /nfs/dbraw/zinc/23/75/84/195237584.db2.gz CPMUBEPZDPYQMM-HXUWFJFHSA-N 0 0 468.560 4.288 50 0 JIAARN COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCCc2cccs2)cc1 ZINC000020939032 195254262 /nfs/dbraw/zinc/25/42/62/195254262.db2.gz DICLVYOAUCIQME-DEOSSOPVSA-N 0 0 459.571 4.153 50 0 JIAARN COc1ccc(NC(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)cc1OC ZINC000020939592 195254822 /nfs/dbraw/zinc/25/48/22/195254822.db2.gz PJJLWRBVWYAXBU-UHFFFAOYSA-N 0 0 464.547 4.424 50 0 JIAARN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000020932044 195251438 /nfs/dbraw/zinc/25/14/38/195251438.db2.gz ZNCBUJCXGZWYPP-JOCHJYFZSA-N 0 0 454.567 4.318 50 0 JIAARN COc1cc(-n2c(C)nc3cccnc32)c(Cl)cc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000020934494 195252060 /nfs/dbraw/zinc/25/20/60/195252060.db2.gz GYLQDHURILRGNQ-UHFFFAOYSA-N 0 0 450.882 4.050 50 0 JIAARN COc1ccc([C@@H](CC(=O)N2CCc3ccccc3C2)N2Cc3ccccc3C2=O)cc1OC ZINC000020936104 195252780 /nfs/dbraw/zinc/25/27/80/195252780.db2.gz FCNJDAJUZLUZDJ-XMMPIXPASA-N 0 0 456.542 4.376 50 0 JIAARN Cc1cccc(C)c1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21 ZINC000020995008 195263637 /nfs/dbraw/zinc/26/36/37/195263637.db2.gz HBXUOIUDLTXLDC-QFIPXVFZSA-N 0 0 459.571 4.380 50 0 JIAARN COc1ccc(C)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21 ZINC000020995128 195263894 /nfs/dbraw/zinc/26/38/94/195263894.db2.gz MPRQVYWTDMWPRG-JOCHJYFZSA-N 0 0 475.570 4.080 50 0 JIAARN Fc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2ccc(Br)s2)C3)CC1 ZINC000021040169 195270679 /nfs/dbraw/zinc/27/06/79/195270679.db2.gz ZCUCGBLUAMDZOR-UHFFFAOYSA-N 0 0 488.430 4.325 50 0 JIAARN COc1ccc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000021029423 195269343 /nfs/dbraw/zinc/26/93/43/195269343.db2.gz VXQBHUBWSZLLDO-UHFFFAOYSA-N 0 0 499.372 4.433 50 0 JIAARN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)ccc21 ZINC000021053834 195273442 /nfs/dbraw/zinc/27/34/42/195273442.db2.gz GXYPRYPNSDTFHV-DEOSSOPVSA-N 0 0 465.619 4.256 50 0 JIAARN CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)cc1 ZINC000021093459 195275096 /nfs/dbraw/zinc/27/50/96/195275096.db2.gz QARZQEAKMTVUKC-UHFFFAOYSA-N 0 0 468.395 4.298 50 0 JIAARN CCn1c(SCC(=O)c2c(C)n(C)c3ccccc32)nc(=O)c2c(C(=O)OC)cc(C3CC3)nc21 ZINC000021098539 195276040 /nfs/dbraw/zinc/27/60/40/195276040.db2.gz ILOSZZXUYPIEPR-UHFFFAOYSA-N 0 0 490.585 4.251 50 0 JIAARN COc1ccc(N(C(=O)c2ccc(C)cc2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1 ZINC000021100594 195276277 /nfs/dbraw/zinc/27/62/77/195276277.db2.gz QWVNWCTYYPLZOZ-UHFFFAOYSA-N 0 0 499.611 4.348 50 0 JIAARN CC(=O)N1CCC(C(=O)NCc2ccccc2)(N(Cc2ccccc2)C(=O)c2ccc(C)cc2)CC1 ZINC000021100599 195276313 /nfs/dbraw/zinc/27/63/13/195276313.db2.gz KKQRMYHLWGEQIN-UHFFFAOYSA-N 0 0 483.612 4.335 50 0 JIAARN COc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)cc1OC ZINC000021100525 195276371 /nfs/dbraw/zinc/27/63/71/195276371.db2.gz IDAJHLSSICLSPJ-UHFFFAOYSA-N 0 0 460.490 4.243 50 0 JIAARN Cc1c(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c(=O)n(-c2ccccc2)n1C ZINC000021150962 195282643 /nfs/dbraw/zinc/28/26/43/195282643.db2.gz GMJPCVMXSRGRFF-UHFFFAOYSA-N 0 0 481.512 4.366 50 0 JIAARN COc1ccccc1C(=O)c1cn(CC(=O)Nc2cc(C)cc(C)c2)c2nc(C)ccc2c1=O ZINC000021151528 195283023 /nfs/dbraw/zinc/28/30/23/195283023.db2.gz WZJMQTNFJWAKSV-UHFFFAOYSA-N 0 0 455.514 4.200 50 0 JIAARN COc1ccccc1C(=O)c1cn(CC(=O)Nc2cccc(SC)c2)c2nc(C)ccc2c1=O ZINC000021151571 195283054 /nfs/dbraw/zinc/28/30/54/195283054.db2.gz ADVSVPAYZFIMOI-UHFFFAOYSA-N 0 0 473.554 4.305 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC(CC(=O)NCc3ccc(OC(C)C)cc3)CC2)c1C ZINC000021153908 195284254 /nfs/dbraw/zinc/28/42/54/195284254.db2.gz JCSBTBILKLOXAX-UHFFFAOYSA-N 0 0 483.609 4.154 50 0 JIAARN COc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1OC ZINC000021156809 195284994 /nfs/dbraw/zinc/28/49/94/195284994.db2.gz QAQRISGJBXBDSA-UHFFFAOYSA-N 0 0 460.490 4.243 50 0 JIAARN Cc1ccc(C)c(Cn2c3ccccc3nc2N2CCC(C(=O)NCCCN3CCCC3=O)CC2)c1 ZINC000021159651 195286521 /nfs/dbraw/zinc/28/65/21/195286521.db2.gz VCDIGOHUHAVODP-UHFFFAOYSA-N 0 0 487.648 4.047 50 0 JIAARN COc1ccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2ccc(Cl)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000021176393 195290049 /nfs/dbraw/zinc/29/00/49/195290049.db2.gz BLXPEKLEAZCWLZ-HSZRJFAPSA-N 0 0 479.964 4.222 50 0 JIAARN CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3cc(-c4ccco4)nc4ccccc43)ccc21 ZINC000021183020 195290997 /nfs/dbraw/zinc/29/09/97/195290997.db2.gz WLDOONVKCHYVQX-UHFFFAOYSA-N 0 0 490.537 4.247 50 0 JIAARN Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)o1 ZINC000021333299 195294750 /nfs/dbraw/zinc/29/47/50/195294750.db2.gz VFMFNCMHZKWLPU-UHFFFAOYSA-N 0 0 489.513 4.083 50 0 JIAARN O=C(COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000021338835 195295028 /nfs/dbraw/zinc/29/50/28/195295028.db2.gz WNSNUBDJLUBBIE-UHFFFAOYSA-N 0 0 498.938 4.451 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2cc(Cl)ccc2OC)c2ncnn2[C@H]1c1ccc(C)cc1 ZINC000021350584 195296269 /nfs/dbraw/zinc/29/62/69/195296269.db2.gz MTSQWHKKRWSVGF-QHCPKHFHSA-N 0 0 495.967 4.134 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000021350768 195296336 /nfs/dbraw/zinc/29/63/36/195296336.db2.gz BBLZXCNUBXKMNR-HSZRJFAPSA-N 0 0 479.968 4.434 50 0 JIAARN COc1ccccc1OCCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C(C)(C)C)C3 ZINC000021352658 195296772 /nfs/dbraw/zinc/29/67/72/195296772.db2.gz CRUJSZDUWOAVMX-INIZCTEOSA-N 0 0 483.634 4.272 50 0 JIAARN COc1ccc(OC)c(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)c1 ZINC000021352631 195296806 /nfs/dbraw/zinc/29/68/06/195296806.db2.gz RDINMXZRHPTNMF-INIZCTEOSA-N 0 0 483.634 4.402 50 0 JIAARN Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCCCC3)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000021374163 195300386 /nfs/dbraw/zinc/30/03/86/195300386.db2.gz VQQLMFSDRLIUCG-GOSISDBHSA-N 0 0 463.621 4.225 50 0 JIAARN Cc1cc(NC(=O)COC(=O)c2csc(NCc3ccccc3)n2)n(-c2ccc(C)cc2)n1 ZINC000021399120 195300927 /nfs/dbraw/zinc/30/09/27/195300927.db2.gz PEEOIMDBWHAOJI-UHFFFAOYSA-N 0 0 461.547 4.353 50 0 JIAARN CCn1c(C)cc(C(=O)COC(=O)c2cccc(C(=O)OCC(=O)c3cc(C)n(CC)c3C)n2)c1C ZINC000021461891 195302011 /nfs/dbraw/zinc/30/20/11/195302011.db2.gz YXRTZPQDTVDSBT-UHFFFAOYSA-N 0 0 493.560 4.037 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)CSc2nc(C)cc(C)n2)cc1 ZINC000021465100 195302034 /nfs/dbraw/zinc/30/20/34/195302034.db2.gz UPYGUTYYKOLUOK-QHCPKHFHSA-N 0 0 490.585 4.115 50 0 JIAARN CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000021467581 195302358 /nfs/dbraw/zinc/30/23/58/195302358.db2.gz XHNGZJHHISGVEO-UHFFFAOYSA-N 0 0 454.596 4.168 50 0 JIAARN COc1ccc(CCN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NCCC(C)C)cc1OC ZINC000021527925 195306294 /nfs/dbraw/zinc/30/62/94/195306294.db2.gz ROXYSDWRGBUGLF-MUUNZHRXSA-N 0 0 493.604 4.385 50 0 JIAARN COc1ccc(CNC(=O)c2ccc(CN3c4cc(-c5ccccc5)nn4CCC3=O)cc2)cc1 ZINC000021531115 195309510 /nfs/dbraw/zinc/30/95/10/195309510.db2.gz OATUJIAQWJFHNN-UHFFFAOYSA-N 0 0 466.541 4.426 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)cc1 ZINC000021794847 195322026 /nfs/dbraw/zinc/32/20/26/195322026.db2.gz NXOCPDVGZWYMRO-UHFFFAOYSA-N 0 0 453.568 4.328 50 0 JIAARN COc1cccc(NC(=O)Nc2cc(Cl)ccc2OCc2cc(=O)n3c(ncn3C(C)C)n2)c1 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O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)N1CCN(c2ccccc2F)CC1 ZINC000057486743 195344555 /nfs/dbraw/zinc/34/45/55/195344555.db2.gz OCDCYFOYMPIQQT-UHFFFAOYSA-N 0 0 465.916 4.346 50 0 JIAARN O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCc1ccc(F)c(Cl)c1 ZINC000057487114 195344719 /nfs/dbraw/zinc/34/47/19/195344719.db2.gz VACABBMSDVXSCB-UHFFFAOYSA-N 0 0 454.845 4.043 50 0 JIAARN COc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2)cc1 ZINC000057487451 195344985 /nfs/dbraw/zinc/34/49/85/195344985.db2.gz DPBWHMDOTYWJIO-UHFFFAOYSA-N 0 0 451.573 4.173 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2F)cc1F ZINC000057487577 195345266 /nfs/dbraw/zinc/34/52/66/195345266.db2.gz KJFGHXIFGCOTEK-UHFFFAOYSA-N 0 0 459.499 4.465 50 0 JIAARN Cc1cc(F)ccc1-n1c(=O)c2sccc2nc1SCC(=O)NCc1ccc(F)cc1 ZINC000057488872 195346289 /nfs/dbraw/zinc/34/62/89/195346289.db2.gz OZHMCXHMHSZKML-UHFFFAOYSA-N 0 0 457.527 4.442 50 0 JIAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)c(Cl)c3)c2=O)c1 ZINC000057492090 195347627 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195374809 /nfs/dbraw/zinc/37/48/09/195374809.db2.gz VJUSSTDVHXEKLY-UHFFFAOYSA-N 0 0 452.312 4.200 50 0 JIAARN CC(C)[C@@H](NC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1)c1ccc2c(c1)OCCCO2 ZINC000058267316 195375605 /nfs/dbraw/zinc/37/56/05/195375605.db2.gz RWLHISORSYEBGC-HSZRJFAPSA-N 0 0 474.623 4.193 50 0 JIAARN CC(=O)c1ccc(-n2c(C)cn(C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)c2=O)cc1 ZINC000058268205 195375749 /nfs/dbraw/zinc/37/57/49/195375749.db2.gz QGPDZDBJLQIJEM-HSZRJFAPSA-N 0 0 458.514 4.382 50 0 JIAARN CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(Cc4ccc(C)cc4)C3)n2)cc1 ZINC000058310947 195376912 /nfs/dbraw/zinc/37/69/12/195376912.db2.gz CPUBPVOSTLIRTD-JTSKRJEESA-N 0 0 476.602 4.303 50 0 JIAARN CCOC(=O)C1=C(COC(=O)c2ccc(-c3ccccc3)cc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000021548949 195314757 /nfs/dbraw/zinc/31/47/57/195314757.db2.gz PGHTWAFAXBRGRK-XMMPIXPASA-N 0 0 456.498 4.382 50 0 JIAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](Cc3ccccc3)C(=O)N21)Nc1ccc(F)cc1 ZINC000021643977 195319326 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459.521 4.468 50 0 JIAARN CCCNC(=O)N1CCN(c2nn3c(nc(-c4ccc(CC)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064450902 195437294 /nfs/dbraw/zinc/43/72/94/195437294.db2.gz YGYNSXXAIUJNKC-UHFFFAOYSA-N 0 0 469.659 4.472 50 0 JIAARN Cc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(C)C)ccc2C)CC1 ZINC000095945996 129944672 /nfs/dbraw/zinc/94/46/72/129944672.db2.gz KDNQAEXWONOEEJ-UHFFFAOYSA-N 0 0 478.680 4.245 50 0 JIAARN CS(=O)(=O)c1ccc(-c2nc(COC(=O)CSc3ccc(C(F)(F)F)cn3)cs2)cc1 ZINC000095947491 129946266 /nfs/dbraw/zinc/94/62/66/129946266.db2.gz VXSYFKBWXJBPPJ-UHFFFAOYSA-N 0 0 488.534 4.463 50 0 JIAARN Cc1sc2nc(C(F)(F)F)nc(N3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)c2c1C ZINC000095949012 129947612 /nfs/dbraw/zinc/94/76/12/129947612.db2.gz KNAQWXHKAUAASB-UHFFFAOYSA-N 0 0 488.532 4.413 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000096114960 129966010 /nfs/dbraw/zinc/96/60/10/129966010.db2.gz KCOOFAKNTJALDQ-RCZVLFRGSA-N 0 0 473.481 4.350 50 0 biogenic JIAARN COc1cccc(C(=O)N2CCC(c3nc(C)ccc3C(=O)NCc3ccccc3OC)CC2)c1 ZINC000096281648 130028177 /nfs/dbraw/zinc/02/81/77/130028177.db2.gz CXIRRMQMNALNHY-UHFFFAOYSA-N 0 0 473.573 4.357 50 0 JIAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(CC(C)C)C(=O)NC(C)C)c2)cc1F ZINC000096289238 130035072 /nfs/dbraw/zinc/03/50/72/130035072.db2.gz VDGCXKUNZOJFKO-UHFFFAOYSA-N 0 0 452.548 4.178 50 0 JIAARN COc1ccc(S(=O)(=O)Oc2cc(CN(CC3CC3)C(=O)c3ccco3)ccc2OC)cc1 ZINC000096290604 130040418 /nfs/dbraw/zinc/04/04/18/130040418.db2.gz PIUPNWUGMZLQGJ-UHFFFAOYSA-N 0 0 471.531 4.117 50 0 JIAARN CC[C@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)COC ZINC000096290824 130041176 /nfs/dbraw/zinc/04/11/76/130041176.db2.gz SGFKKMPHFIROOA-HNNXBMFYSA-N 0 0 489.512 4.255 50 0 JIAARN COCCNC(=O)c1ccc(CSc2nnc(-c3ccccc3Cl)n2[C@H](C)COC)cc1 ZINC000096290885 130041431 /nfs/dbraw/zinc/04/14/31/130041431.db2.gz NNDGNNLXMDGGJW-MRXNPFEDSA-N 0 0 475.014 4.474 50 0 JIAARN COc1cc(-c2noc(CCN(CCc3ccccc3)C(=O)c3ccco3)n2)cc(OC)c1OC ZINC000096293979 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CCCCCCOc1ccc(/C=c2\sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1 ZINC000016742077 520105500 /nfs/dbraw/zinc/10/55/00/520105500.db2.gz VEOOLKMVKFQBSC-FLVGQNKLSA-N 0 0 463.559 4.170 50 0 JIAARN CCN(CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000036447010 520320234 /nfs/dbraw/zinc/32/02/34/520320234.db2.gz ZXIILPBGQUBJSK-QHCPKHFHSA-N 0 0 469.545 4.024 50 0 JIAARN CCCOc1ccc(CN(C(=O)c2cc(-c3ccc(C)cc3)on2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000021785987 520344954 /nfs/dbraw/zinc/34/49/54/520344954.db2.gz IKCNADGVSZMVEE-OAQYLSRUSA-N 0 0 468.575 4.268 50 0 JIAARN CCCOc1ccc(CN(C(=O)c2nc(SC(C)C)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008613816 520345510 /nfs/dbraw/zinc/34/55/10/520345510.db2.gz ZHJCVVNPJLYNSV-KRWDZBQOSA-N 0 0 498.070 4.249 50 0 JIAARN CCCOc1ccc(CNC(=O)CCCn2ncn3c4cc(CC)sc4cc3c2=O)cc1 ZINC000008605130 520354977 /nfs/dbraw/zinc/35/49/77/520354977.db2.gz UJZKXAOLPUPRIX-UHFFFAOYSA-N 0 0 452.580 4.159 50 0 JIAARN CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(OC)cc1)C(=O)NC(C)(C)C 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CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCCN4CCCC4=O)c3)C2)cc1 ZINC000033035149 521083791 /nfs/dbraw/zinc/08/37/91/521083791.db2.gz KJCGOZSJLXSCMY-HSZRJFAPSA-N 0 0 492.620 4.239 50 0 JIAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(OC)c(OC)c1)CC1CC1 ZINC000036049353 521087126 /nfs/dbraw/zinc/08/71/26/521087126.db2.gz LUOTVFFPDSHHDQ-UHFFFAOYSA-N 0 0 462.550 4.144 50 0 JIAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(c3nc4cccnc4n(Cc4ccc(C)cc4)c3=O)C2)cc1 ZINC000033259672 521105472 /nfs/dbraw/zinc/10/54/72/521105472.db2.gz FWNLRWKWMJZYEG-JOCHJYFZSA-N 0 0 497.599 4.402 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(CN(Cc3ccccc3)Cc3ccc(F)cc3)n2)C1 ZINC000036072319 521110808 /nfs/dbraw/zinc/11/08/08/521110808.db2.gz HPOILDMHWJYUEA-JOCHJYFZSA-N 0 0 479.552 4.431 50 0 JIAARN CCOc1ccc(NC(=O)c2ccnc(N3CCC(C(=O)NCc4ccc(C)o4)CC3)c2)cc1 ZINC000033073734 521118936 /nfs/dbraw/zinc/11/89/36/521118936.db2.gz UAIUDYMEXCNQSN-UHFFFAOYSA-N 0 0 462.550 4.167 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(c2c3cc(OC)ccc3ncc2S(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000022573844 521120508 /nfs/dbraw/zinc/12/05/08/521120508.db2.gz CJAUPBMMZFUOFS-LJQANCHMSA-N 0 0 482.602 4.473 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)cc1Br ZINC000016641419 521133153 /nfs/dbraw/zinc/13/31/53/521133153.db2.gz VFGVQBPPMLROQB-UHFFFAOYSA-N 0 0 482.381 4.357 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)NC4CCC(C)CC4)c(O)c3c2)cc1 ZINC000006181513 521134280 /nfs/dbraw/zinc/13/42/80/521134280.db2.gz FOSXEBKCJNSUNN-UHFFFAOYSA-N 0 0 483.590 4.036 50 0 JIAARN CCC(=O)N1CCc2ccc(O[C@H](CC)C(=O)N3CCSCC3)cc2[C@H]1c1cccc(F)c1 ZINC000037603204 521160094 /nfs/dbraw/zinc/16/00/94/521160094.db2.gz WLXZTZRNSSODDO-ILBGXUMGSA-N 0 0 470.610 4.443 50 0 JIAARN CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H]2CC=CCC2)cc1 ZINC000014818928 521183621 /nfs/dbraw/zinc/18/36/21/521183621.db2.gz CPUDDMQTPKLXAT-IBGZPJMESA-N 0 0 486.590 4.193 50 0 JIAARN CCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCc2ccccc2C)CC1 ZINC000033069371 521193554 /nfs/dbraw/zinc/19/35/54/521193554.db2.gz WGWCOBJYBAZMNC-UHFFFAOYSA-N 0 0 459.594 4.370 50 0 JIAARN CCC(=O)Nc1cc(-c2ccc(C)cc2)nn([C@@H](C)C(=O)Nc2cc(Cl)c(OC)cc2OC)c1=O ZINC000020095983 521195353 /nfs/dbraw/zinc/19/53/53/521195353.db2.gz DLVRFTPPCVFOMD-HNNXBMFYSA-N 0 0 498.967 4.438 50 0 JIAARN CCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000065003040 521204589 /nfs/dbraw/zinc/20/45/89/521204589.db2.gz HECHHHJLHMXTTA-UHFFFAOYSA-N 0 0 450.560 4.075 50 0 JIAARN CCOC(=O)[C@H](C)Sc1nc2ccc(I)cc2c(=O)n1-c1ccccc1C ZINC000002362417 521219063 /nfs/dbraw/zinc/21/90/63/521219063.db2.gz FUKQRVFYIGUWGU-ZDUSSCGKSA-N 0 0 494.354 4.342 50 0 JIAARN CCC(=O)c1ccc(OC(=O)C=Cc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000033477417 521242884 /nfs/dbraw/zinc/24/28/84/521242884.db2.gz WEOMSBVMVHUNAI-ZSOIEALJSA-N 0 0 457.548 4.081 50 0 JIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CN3C(=O)COc4ccc(C(C)(C)C)cc43)c2)C1 ZINC000033630033 521294945 /nfs/dbraw/zinc/29/49/45/521294945.db2.gz DMKTXCIZLLNCHW-NRFANRHFSA-N 0 0 478.589 4.325 50 0 JIAARN CCOC(=O)[C@H]1CCCN(c2c3cc(OCC)ccc3ncc2S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000020381760 521303639 /nfs/dbraw/zinc/30/36/39/521303639.db2.gz JQGMBNWBNPIHEV-SFHVURJKSA-N 0 0 498.601 4.254 50 0 JIAARN CCC[C@]1(C2CCN(C(=O)c3cc4ccccc4o3)CC2)NC(=O)N(CCc2ccccn2)C1=O ZINC000012246002 521313836 /nfs/dbraw/zinc/31/38/36/521313836.db2.gz FMCBPHIFCQECCG-HHHXNRCGSA-N 0 0 474.561 4.013 50 0 JIAARN CCN(Cc1cccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1)C(=O)OC(C)(C)C ZINC000040088387 521351677 /nfs/dbraw/zinc/35/16/77/521351677.db2.gz TVUINJOGBMCJQS-UHFFFAOYSA-N 0 0 465.550 4.345 50 0 JIAARN CCC(C)(C)NS(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCC(C)CC3)s2)n(C)c1C ZINC000065036227 521353016 /nfs/dbraw/zinc/35/30/16/521353016.db2.gz WAVPYQQTTCUZOC-UHFFFAOYSA-N 0 0 466.673 4.104 50 0 JIAARN CCOc1cccc(CNC(=O)[C@@H]2CCCN(c3ncnc4nn(-c5ccc(C)cc5)cc43)C2)c1 ZINC000033273813 521356059 /nfs/dbraw/zinc/35/60/59/521356059.db2.gz 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CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000016741653 521419055 /nfs/dbraw/zinc/41/90/55/521419055.db2.gz ZROYOZCACPAHDT-RUZDIDTESA-N 0 0 476.573 4.076 50 0 JIAARN CCOc1ccccc1C(=O)N1CCN(c2nc3c(s2)c(C)nn3-c2ccc(C)cc2)CC1 ZINC000065297084 521454465 /nfs/dbraw/zinc/45/44/65/521454465.db2.gz SYVNYVBIGCLBJV-UHFFFAOYSA-N 0 0 461.591 4.460 50 0 JIAARN CCOc1ccccc1CN1C(=O)c2cc(C(C)(C)C)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021862724 521477473 /nfs/dbraw/zinc/47/74/73/521477473.db2.gz UMXISMJEKBALJY-NDEPHWFRSA-N 0 0 474.605 4.310 50 0 JIAARN CCOc1ccccc1CN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021862395 521480786 /nfs/dbraw/zinc/48/07/86/521480786.db2.gz HXZWMFZSZZLCRY-MUUNZHRXSA-N 0 0 468.557 4.166 50 0 JIAARN CCOc1ccccc1CN1C(=O)c2cc(C(C)(C)C)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021862728 521481211 /nfs/dbraw/zinc/48/12/11/521481211.db2.gz UMXISMJEKBALJY-MUUNZHRXSA-N 0 0 474.605 4.310 50 0 JIAARN CCOc1ccccc1CNC(=O)C1CCN(c2c(NC(=O)CC)c(C)nn2-c2ccccc2)CC1 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CCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000044838492 521515694 /nfs/dbraw/zinc/51/56/94/521515694.db2.gz SOINQKAFWFVTBG-UHFFFAOYSA-N 0 0 455.356 4.200 50 0 JIAARN CCOc1ccccc1NC(=O)CSc1nnc2ccc(C(=O)Nc3cccc(C)c3)cn21 ZINC000033284352 521532331 /nfs/dbraw/zinc/53/23/31/521532331.db2.gz KDNWTPAEEKGINI-UHFFFAOYSA-N 0 0 461.547 4.420 50 0 JIAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)COC ZINC000036116928 521534364 /nfs/dbraw/zinc/53/43/64/521534364.db2.gz PFCATEWWRYBHOY-QFIPXVFZSA-N 0 0 458.624 4.261 50 0 JIAARN CCN1C(=S)N[C@H](c2ccc(NC(=O)COc3ccccc3)cc2)C(C(=O)OC(C)C)=C1C ZINC000016609271 521539913 /nfs/dbraw/zinc/53/99/13/521539913.db2.gz BCHOUOYUSFDWRR-HSZRJFAPSA-N 0 0 467.591 4.181 50 0 JIAARN CCCN(CC(=O)NC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000016627679 521542056 /nfs/dbraw/zinc/54/20/56/521542056.db2.gz SSTRZCVHWYQCQW-UHFFFAOYSA-N 0 0 467.353 4.001 50 0 JIAARN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021847598 521547058 /nfs/dbraw/zinc/54/70/58/521547058.db2.gz YRQDINOBHFCPMS-HHHXNRCGSA-N 0 0 473.573 4.312 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1F ZINC000067216188 521551582 /nfs/dbraw/zinc/55/15/82/521551582.db2.gz YXJFWOPINUELOR-UHFFFAOYSA-N 0 0 483.546 4.494 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2O1 ZINC000064985995 521555416 /nfs/dbraw/zinc/55/54/16/521555416.db2.gz XIWYDYDRFNBVFP-XMMPIXPASA-N 0 0 494.569 4.075 50 0 JIAARN CCCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3ccc(OCC)cc3)cc2=O)s1 ZINC000008606003 521557599 /nfs/dbraw/zinc/55/75/99/521557599.db2.gz KSXOWDUAQCOMED-UHFFFAOYSA-N 0 0 492.557 4.112 50 0 JIAARN CCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C(F)(F)F)nn32)c1N ZINC000021790452 521577048 /nfs/dbraw/zinc/57/70/48/521577048.db2.gz HFGAJIRVJDAKBQ-UHFFFAOYSA-N 0 0 464.835 4.322 50 0 JIAARN CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CN[C@@H]1CCCc2ccccc21 ZINC000014964336 521577645 /nfs/dbraw/zinc/57/76/45/521577645.db2.gz MHLQJEKZTIWZED-JOCHJYFZSA-N 0 0 456.546 4.068 50 0 JIAARN CCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC[C@H](O)COCc3ccccc3)cc2)n1 ZINC000036145670 521601408 /nfs/dbraw/zinc/60/14/08/521601408.db2.gz IRHCHVQSPYLKJS-QHCPKHFHSA-N 0 0 488.544 4.051 50 0 JIAARN CCCn1c(=O)c(N2CCC(NC(=O)Nc3ccc(F)c(Cl)c3)CC2)nc2ccccc21 ZINC000033290647 521616049 /nfs/dbraw/zinc/61/60/49/521616049.db2.gz PACXMRSYFGLXJU-UHFFFAOYSA-N 0 0 457.937 4.390 50 0 JIAARN CCOC(CCn1c(=O)c2ccccc2nc1SCC(=O)NCc1ccccc1Cl)OCC ZINC000016266382 521630422 /nfs/dbraw/zinc/63/04/22/521630422.db2.gz ZUSSYUQYMFNGIP-UHFFFAOYSA-N 0 0 490.025 4.248 50 0 JIAARN CCCn1c2ccccc2nc(N2CCC(NC(=O)Nc3cccc(SC)c3)CC2)c1=O ZINC000033169740 521639644 /nfs/dbraw/zinc/63/96/44/521639644.db2.gz HWIJRZVGZNWWBF-UHFFFAOYSA-N 0 0 451.596 4.319 50 0 JIAARN CCS(=O)(=O)c1ccc(CC(=O)N(CCn2cccn2)c2nc3c(cccc3Cl)s2)cc1 ZINC000023144786 521688365 /nfs/dbraw/zinc/68/83/65/521688365.db2.gz ZUOIGVJEUDLKQZ-UHFFFAOYSA-N 0 0 489.022 4.216 50 0 JIAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccc(OC)cc2)s1 ZINC000008912456 521694851 /nfs/dbraw/zinc/69/48/51/521694851.db2.gz VRUPUZHCCZYLSF-UHFFFAOYSA-N 0 0 487.024 4.044 50 0 JIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H]1CCCO1 ZINC000036122568 521739267 /nfs/dbraw/zinc/73/92/67/521739267.db2.gz TXAZCXZOXYPVFT-RBBKRZOGSA-N 0 0 485.650 4.080 50 0 JIAARN CCNC(=O)[C@@H]1[C@H](c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccc(F)cc1 ZINC000036218108 521744950 /nfs/dbraw/zinc/74/49/50/521744950.db2.gz VJAJCZDNSCGGAJ-GOTSBHOMSA-N 0 0 461.493 4.276 50 0 JIAARN CCNC(=O)[C@@H]1[C@@H](c2cccc(NC(=O)Cc3ccccc3)c2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036219309 521744997 /nfs/dbraw/zinc/74/49/97/521744997.db2.gz IYMUAIQJXPHMMO-IZZNHLLZSA-N 0 0 471.557 4.374 50 0 JIAARN CCNC(=O)[C@H]1[C@H](c2cccc(NC(=O)c3ccc(OC)cc3)c2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036218903 521747082 /nfs/dbraw/zinc/74/70/82/521747082.db2.gz BPUWJERFTHJLGB-RPBOFIJWSA-N 0 0 487.556 4.454 50 0 JIAARN CCNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccc(F)c(C)c4)ccc3n2C)cc1 ZINC000033276963 521747342 /nfs/dbraw/zinc/74/73/42/521747342.db2.gz UNPXSEZNZPCABM-UHFFFAOYSA-N 0 0 466.538 4.238 50 0 JIAARN COCCOc1nc(-c2cccc(F)c2)n(-c2cccc(NC(=O)c3ccccc3F)c2)n1 ZINC000037385266 521751769 /nfs/dbraw/zinc/75/17/69/521751769.db2.gz PZGSDCIOVPZRLD-UHFFFAOYSA-N 0 0 450.445 4.490 50 0 JIAARN COC(=O)c1c(C)c(C(C)=O)sc1N[C@@H](NC(=O)c1cccs1)C(=O)c1ccccc1 ZINC000012372276 521753124 /nfs/dbraw/zinc/75/31/24/521753124.db2.gz QFUPODQMKKKRNK-LJQANCHMSA-N 0 0 456.545 4.158 50 0 JIAARN CCc1cccc(NC(=O)Cn2c3c4cc(C)ccc4n(C)c3c(=O)n(-c3ccccc3C)c2=O)c1 ZINC000008591709 521756836 /nfs/dbraw/zinc/75/68/36/521756836.db2.gz PMEYECAVWUWXFF-UHFFFAOYSA-N 0 0 480.568 4.462 50 0 JIAARN CCc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)c1 ZINC000033263350 521763587 /nfs/dbraw/zinc/76/35/87/521763587.db2.gz VFHPNKZJXTVCCV-MRXNPFEDSA-N 0 0 498.008 4.497 50 0 JIAARN COc1c(Br)cc(Br)cc1C=Cc1cc(C(F)(F)F)nc(=O)[nH]1 ZINC000012417989 521777181 /nfs/dbraw/zinc/77/71/81/521777181.db2.gz JYYDJAIPWHSVFK-NSCUHMNNSA-N 0 0 454.040 4.493 50 0 JIAARN CCc1ccccc1N(C(C)=O)c1nc(COC(=O)CCN2C(=O)c3ccccc3C2=O)cs1 ZINC000008647645 521847477 /nfs/dbraw/zinc/84/74/77/521847477.db2.gz CLTLYURMYXJXFH-UHFFFAOYSA-N 0 0 477.542 4.120 50 0 JIAARN CNC(=O)c1ccc(Nc2c(Oc3cccc(OC)c3)cnn(-c3ccc(OC)cc3)c2=O)cc1 ZINC000036070599 521851788 /nfs/dbraw/zinc/85/17/88/521851788.db2.gz FBIVREIPOKCHBB-UHFFFAOYSA-N 0 0 472.501 4.145 50 0 JIAARN CC[C@@H](C(=O)Nc1cc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)ccc1C)c1ccccc1 ZINC000041089581 521865288 /nfs/dbraw/zinc/86/52/88/521865288.db2.gz ZFNGOGDROBZQGE-OAQYLSRUSA-N 0 0 459.502 4.394 50 0 JIAARN CCc1ccccc1NC(=O)CSc1nc2c3cc(OC)ccc3n(C)c2c(=O)n1CC ZINC000033287491 521876655 /nfs/dbraw/zinc/87/66/55/521876655.db2.gz NJSOQMZUVUSADI-UHFFFAOYSA-N 0 0 450.564 4.210 50 0 JIAARN CCc1ccccc1NC(=O)Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O ZINC000049008846 521883752 /nfs/dbraw/zinc/88/37/52/521883752.db2.gz 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COc1ccc(C(=O)N2CCCN(c3nc4c(s3)c(C)nn4-c3ccc(C)cc3)CC2)cc1 ZINC000065300220 523633370 /nfs/dbraw/zinc/63/33/70/523633370.db2.gz PFFNSNNZRPEOQJ-UHFFFAOYSA-N 0 0 461.591 4.460 50 0 JIAARN COc1ccc(C(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)cc1 ZINC000046122783 523642662 /nfs/dbraw/zinc/64/26/62/523642662.db2.gz NCLNWPXZAXKKBX-HNNXBMFYSA-N 0 0 456.955 4.472 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)c1ccc(C)cc1 ZINC000036119352 523649263 /nfs/dbraw/zinc/64/92/63/523649263.db2.gz NSQPEGRZFSWBAW-XMMPIXPASA-N 0 0 478.614 4.350 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)c1ccccc1C ZINC000036120786 523649550 /nfs/dbraw/zinc/64/95/50/523649550.db2.gz UILOWWSSLZOIHE-XMMPIXPASA-N 0 0 496.604 4.489 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)c1cccs1 ZINC000036119334 523649799 /nfs/dbraw/zinc/64/97/99/523649799.db2.gz RJPCWVDWERGBBN-HXUWFJFHSA-N 0 0 470.616 4.103 50 0 JIAARN COc1ccc(C(=O)N2CCN([C@H](C(=O)Nc3ccc(Cl)cc3)C3CCCC3)CC2)cc1 ZINC000036311234 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CCc1ccc(-n2c(CN3CCN(C(=O)Nc4cccc(F)c4)CC3)nc3cccnc32)cc1 ZINC000065075357 523867160 /nfs/dbraw/zinc/86/71/60/523867160.db2.gz BZZJPHUMJBHSEV-UHFFFAOYSA-N 0 0 458.541 4.472 50 0 JIAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)NCc4ccccc4C)cc3)S2(=O)=O)cc1 ZINC000008603185 523871472 /nfs/dbraw/zinc/87/14/72/523871472.db2.gz FOUQMGFRIYWAAU-UHFFFAOYSA-N 0 0 490.581 4.037 50 0 aggregator JIAARN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(=O)COC ZINC000036120162 523873200 /nfs/dbraw/zinc/87/32/00/523873200.db2.gz JPRURJAPWADJTQ-AVRDEDQJSA-N 0 0 458.624 4.082 50 0 JIAARN CCc1ccc(C(=O)N2CCC(c3nc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)no3)CC2)cc1 ZINC000008613415 523881960 /nfs/dbraw/zinc/88/19/60/523881960.db2.gz FVQGITNRFWBSMH-UHFFFAOYSA-N 0 0 494.617 4.103 50 0 JIAARN COc1ccc(CC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)cc1 ZINC000046122743 523892256 /nfs/dbraw/zinc/89/22/56/523892256.db2.gz QZNXLAHLFZUOHK-MRXNPFEDSA-N 0 0 470.982 4.401 50 0 JIAARN COc1ccc(CC(=O)N2CCC[C@@H](c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)cc1Cl ZINC000033289699 523892439 /nfs/dbraw/zinc/89/24/39/523892439.db2.gz UTGCDBIBZFQJEQ-GOSISDBHSA-N 0 0 468.941 4.306 50 0 JIAARN CCc1ccc(C(=O)N[C@H](C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)s2)[C@@H](C)CC)cc1 ZINC000016608152 523894074 /nfs/dbraw/zinc/89/40/74/523894074.db2.gz WKENYYXSLOKTTR-XOBRGWDASA-N 0 0 466.563 4.279 50 0 JIAARN COc1ccc(CC(=O)NC2CCN(c3nc4c(s3)c(C)nn4-c3cccc(C)c3)CC2)cc1 ZINC000065299912 523898728 /nfs/dbraw/zinc/89/87/28/523898728.db2.gz BSQGXVIQBNBXGL-UHFFFAOYSA-N 0 0 475.618 4.435 50 0 JIAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000046086458 523910207 /nfs/dbraw/zinc/91/02/07/523910207.db2.gz NPRORWLVQOCGTA-PKTZIBPZSA-N 0 0 452.595 4.029 50 0 JIAARN COc1ccc(CCC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000064929901 523918184 /nfs/dbraw/zinc/91/81/84/523918184.db2.gz AFFJMROTRSLGDT-IBGZPJMESA-N 0 0 454.527 4.234 50 0 JIAARN CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1ccc(F)cc1 ZINC000036069508 523925421 /nfs/dbraw/zinc/92/54/21/523925421.db2.gz CICYRZYTKGSGRK-NRFANRHFSA-N 0 0 489.595 4.181 50 0 JIAARN COCCNC(=O)c1coc(CN(Cc2cccc(F)c2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000036065455 523929880 /nfs/dbraw/zinc/92/98/80/523929880.db2.gz BLNFXVABPCRCQQ-UHFFFAOYSA-N 0 0 465.447 4.411 50 0 JIAARN COCCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000036072325 523930529 /nfs/dbraw/zinc/93/05/29/523930529.db2.gz NRDZHBLVKOQTJH-UHFFFAOYSA-N 0 0 465.447 4.411 50 0 JIAARN COc1ccc(CCN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)c(OC)c1 ZINC000021858717 523946164 /nfs/dbraw/zinc/94/61/64/523946164.db2.gz BGLXXGIHKZCDCI-MUUNZHRXSA-N 0 0 477.605 4.278 50 0 JIAARN CCc1ccc(NC(=O)CCc2c(C)n(C)c3cc(-c4ccc(OC)c(OC)c4)nn3c2=O)cc1 ZINC000064977722 523970542 /nfs/dbraw/zinc/97/05/42/523970542.db2.gz JUPMKJYHNLNKKP-UHFFFAOYSA-N 0 0 474.561 4.159 50 0 JIAARN COc1ccc(CCn2c(N)c(S(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000002426294 523986436 /nfs/dbraw/zinc/98/64/36/523986436.db2.gz TUVRMCWYBSJHIH-UHFFFAOYSA-N 0 0 476.533 4.390 50 0 JIAARN COc1ccc(CN(C(=O)COC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C2CC2)cc1 ZINC000019353454 523988498 /nfs/dbraw/zinc/98/84/98/523988498.db2.gz AXMFVQYWRDPGES-UHFFFAOYSA-N 0 0 484.350 4.196 50 0 JIAARN CCc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000085643659 523993225 /nfs/dbraw/zinc/99/32/25/523993225.db2.gz VELULBDEEXGSNR-UHFFFAOYSA-N 0 0 473.595 4.213 50 0 JIAARN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027745828 524002266 /nfs/dbraw/zinc/00/22/66/524002266.db2.gz IIHRWSLGVIVJSH-SFHVURJKSA-N 0 0 456.391 4.151 50 0 JIAARN CC[C@H](C)NC(=O)c1nn(-c2ccc(C(C)C)cc2)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000036088093 524002400 /nfs/dbraw/zinc/00/24/00/524002400.db2.gz SMYPALFNDWVWEV-INIZCTEOSA-N 0 0 488.510 4.113 50 0 JIAARN CCc1ccc(OCC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000041155261 524004511 /nfs/dbraw/zinc/00/45/11/524004511.db2.gz PAFPPZUFLOSVKE-LJQANCHMSA-N 0 0 473.982 4.143 50 0 JIAARN CCc1ccc(OCC(=O)Nc2ccc(Cl)cc2OCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000035378638 524005167 /nfs/dbraw/zinc/00/51/67/524005167.db2.gz CXHCUHQVJNGHBM-UHFFFAOYSA-N 0 0 467.909 4.408 50 0 JIAARN COc1ccc(CN(Cc2cccnc2)C(=O)Cc2ccc(F)cc2)cc1OC[C@H]1CCOC1 ZINC000014880392 524014665 /nfs/dbraw/zinc/01/46/65/524014665.db2.gz IHBLPGXKSDKYCE-QHCPKHFHSA-N 0 0 464.537 4.416 50 0 JIAARN COc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cccc(F)c2)cc1OC[C@@H]1CCOC1 ZINC000012218007 524014844 /nfs/dbraw/zinc/01/48/44/524014844.db2.gz SSVDLVWKGLEHIS-OAQYLSRUSA-N 0 0 486.565 4.036 50 0 JIAARN COc1ccc(CN(Cc2cccnc2)C(=O)Cc2ccc(F)cc2)cc1OC[C@@H]1CCOC1 ZINC000014880390 524014849 /nfs/dbraw/zinc/01/48/49/524014849.db2.gz IHBLPGXKSDKYCE-HSZRJFAPSA-N 0 0 464.537 4.416 50 0 JIAARN COc1ccc(CN(Cc2nc(-c3ccc(OC)cc3)no2)S(=O)(=O)c2ccccc2)cc1 ZINC000033428904 524015885 /nfs/dbraw/zinc/01/58/85/524015885.db2.gz JOMPAUDWNPEGNH-UHFFFAOYSA-N 0 0 465.531 4.145 50 0 JIAARN COc1ccc(CN2C(=O)c3c(NC(C)=O)c4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021866839 524021401 /nfs/dbraw/zinc/02/14/01/524021401.db2.gz MPURLQVQAWOKGG-NDEPHWFRSA-N 0 0 488.588 4.082 50 0 JIAARN CO[C@H]1[C@H](NC(=O)c2ccccn2)c2ccccc2C12CCN(C(=O)CC1=CCCCC1)CC2 ZINC000014986431 524022954 /nfs/dbraw/zinc/02/29/54/524022954.db2.gz APDUYESAGZUCJR-FTJBHMTQSA-N 0 0 459.590 4.332 50 0 JIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCn1c(=O)oc2cc(Cl)ccc21 ZINC000019201539 524043291 /nfs/dbraw/zinc/04/32/91/524043291.db2.gz ULBWQMCLMZFEIG-UHFFFAOYSA-N 0 0 458.820 4.321 50 0 JIAARN COc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)cc1OC ZINC000067673674 524053251 /nfs/dbraw/zinc/05/32/51/524053251.db2.gz VAQCZXQDKKAEIF-UHFFFAOYSA-N 0 0 495.626 4.490 50 0 JIAARN COc1ccc(CNC(=O)CSc2nccn2-c2cccc(C(=O)NCc3ccccc3)c2)cc1 ZINC000033264929 524053730 /nfs/dbraw/zinc/05/37/30/524053730.db2.gz VURGYUABMNQICC-UHFFFAOYSA-N 0 0 486.597 4.219 50 0 JIAARN COc1ccc(CNC(=O)CSc2nnc3c4ccccc4nc(-c4ccccc4)n23)cc1 ZINC000021726966 524053963 /nfs/dbraw/zinc/05/39/63/524053963.db2.gz TXXRNVVYVWIWQV-UHFFFAOYSA-N 0 0 455.543 4.362 50 0 JIAARN COc1ccc(CNC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1Cl ZINC000020405435 524057698 /nfs/dbraw/zinc/05/76/98/524057698.db2.gz SCEUEOHLFMHNLT-UHFFFAOYSA-N 0 0 463.287 4.448 50 0 JIAARN COc1ccc(CNC(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1OC ZINC000022510084 524061736 /nfs/dbraw/zinc/06/17/36/524061736.db2.gz MPSNSSXKLMAMBR-UHFFFAOYSA-N 0 0 455.555 4.433 50 0 JIAARN CCc1cccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1 ZINC000064951120 524061970 /nfs/dbraw/zinc/06/19/70/524061970.db2.gz MQROQXRQFDZBOK-UHFFFAOYSA-N 0 0 466.925 4.059 50 0 JIAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(C)c(C)c4)nn3)C2)cc1OC ZINC000048990678 524062736 /nfs/dbraw/zinc/06/27/36/524062736.db2.gz MIOURDKBYGEIGH-JOCHJYFZSA-N 0 0 460.578 4.310 50 0 JIAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc(C)c4c(C)n(-c5ccc(C)cc5)nc43)C2)cc1 ZINC000008594526 524062869 /nfs/dbraw/zinc/06/28/69/524062869.db2.gz KLUKIVLYGMJPQX-JOCHJYFZSA-N 0 0 484.604 4.282 50 0 JIAARN CCc1cccc(C)c1NC(=O)Cn1c2ccccc2c2ncn(Cc3nc(C4CC4)no3)c(=O)c21 ZINC000033281076 524064066 /nfs/dbraw/zinc/06/40/66/524064066.db2.gz IRXKXAMEWCTCOH-UHFFFAOYSA-N 0 0 482.544 4.169 50 0 JIAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Br)cc1)N(c1nncs1)C3=O ZINC000002242468 524099151 /nfs/dbraw/zinc/09/91/51/524099151.db2.gz QCAZUORMXFPIMV-MRXNPFEDSA-N 0 0 454.305 4.465 50 0 JIAARN Cc1ccc(C)c(Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCc4ccco4)cc3)c2=O)c1 ZINC000045899741 524111154 /nfs/dbraw/zinc/11/11/54/524111154.db2.gz SROSCNDMIQVFHE-UHFFFAOYSA-N 0 0 493.563 4.269 50 0 JIAARN COc1ccc(COc2ccc(=O)n(-c3ccc(C(=O)Nc4ccc(OC)c(OC)c4)cc3)n2)cc1 ZINC000035481275 524118781 /nfs/dbraw/zinc/11/87/81/524118781.db2.gz BECJZYLLPQBYDM-UHFFFAOYSA-N 0 0 487.512 4.090 50 0 JIAARN COc1ccc(CO[C@H]2[C@@H]([C@H]3COC4(CCCCC4)O3)O[C@@H]3OC4(CCCCC4)O[C@@H]32)cc1 ZINC000008833988 524119438 /nfs/dbraw/zinc/11/94/38/524119438.db2.gz HPCBVOSHAUBAEC-GNADVCDUSA-N 0 0 460.567 4.457 50 0 biogenic JIAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000036060254 524121376 /nfs/dbraw/zinc/12/13/76/524121376.db2.gz GZXAWWCVYKZALO-XZOQPEGZSA-N 0 0 492.959 4.250 50 0 JIAARN COc1cccc([C@@H]2CN(C(=O)c3ccccc3)C[C@@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054398 524122005 /nfs/dbraw/zinc/12/20/05/524122005.db2.gz UMEGTPASOKHJLM-GOTSBHOMSA-N 0 0 462.521 4.015 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCN(c4nccnc4Oc4ccccc4)C3)CC2)c1 ZINC000033169000 524124101 /nfs/dbraw/zinc/12/41/01/524124101.db2.gz HMBGZHQRMIUDOF-QHCPKHFHSA-N 0 0 471.605 4.451 50 0 JIAARN Cc1cccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)C5CCCC5)[C@@H](C)C4)n23)c1 ZINC000034707058 524128346 /nfs/dbraw/zinc/12/83/46/524128346.db2.gz LINVLLGLDDPBCZ-IBGZPJMESA-N 0 0 454.578 4.480 50 0 JIAARN Cc1ccc(C)c(NC(=O)CN2c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3CCCC2=O)c1 ZINC000065078754 524137567 /nfs/dbraw/zinc/13/75/67/524137567.db2.gz ZRELWBPAZUIVMN-UHFFFAOYSA-N 0 0 483.634 4.032 50 0 JIAARN COc1ccc(C[C@]2(CCC(=O)NC[C@]3(c4ccccc4)CC3(C)C)CCC(=O)N2)c(F)c1 ZINC000014884144 524158900 /nfs/dbraw/zinc/15/89/00/524158900.db2.gz PECPQJATQLIDJV-SVBPBHIXSA-N 0 0 452.570 4.290 50 0 JIAARN Cc1cccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)n2)c1 ZINC000033273505 524163291 /nfs/dbraw/zinc/16/32/91/524163291.db2.gz IEINQMMTKWTSQI-UHFFFAOYSA-N 0 0 498.539 4.018 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)c1 ZINC000046124044 524187903 /nfs/dbraw/zinc/18/79/03/524187903.db2.gz MUNFROIKDLFFEH-GOSISDBHSA-N 0 0 470.620 4.284 50 0 JIAARN COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000021770433 524198917 /nfs/dbraw/zinc/19/89/17/524198917.db2.gz YUTZNVVGSVKTOK-UHFFFAOYSA-N 0 0 451.957 4.120 50 0 JIAARN C[C@@H](C(=O)NCc1ccc(F)cc1)N1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21 ZINC000037512217 524207141 /nfs/dbraw/zinc/20/71/41/524207141.db2.gz BSBYYEISDXOGFP-INIZCTEOSA-N 0 0 496.922 4.171 50 0 JIAARN Cc1cccc(C(=O)Nc2cccc([C@H]3OC(=O)N(Cc4ccccc4)[C@@H]3C(=O)N3CCOCC3)c2)c1 ZINC000036218756 524219741 /nfs/dbraw/zinc/21/97/41/524219741.db2.gz WPZBNYDTCFGURC-IZZNHLLZSA-N 0 0 499.567 4.168 50 0 JIAARN Cc1cccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4nc(C(C)C)sc4n3)c2)c1 ZINC000008607229 524220325 /nfs/dbraw/zinc/22/03/25/524220325.db2.gz ZTZZPOPIMNXQRN-UHFFFAOYSA-N 0 0 462.531 4.192 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21 ZINC000067318169 524229108 /nfs/dbraw/zinc/22/91/08/524229108.db2.gz ZPWRADDXTASZNK-UHFFFAOYSA-N 0 0 487.903 4.414 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)N1CCCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000033037548 524233627 /nfs/dbraw/zinc/23/36/27/524233627.db2.gz NRKKLCUDVRVFOT-UHFFFAOYSA-N 0 0 488.375 4.292 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)N1CCc2c(c(CN(C(C)=O)c3ccccc3)nn2C)C1 ZINC000033287105 524234143 /nfs/dbraw/zinc/23/41/43/524234143.db2.gz JTAYTCJWHBWRIZ-UHFFFAOYSA-N 0 0 467.957 4.225 50 0 JIAARN COc1ccc(Cn2c(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)nc3cccnc32)cc1 ZINC000047146261 524258292 /nfs/dbraw/zinc/25/82/92/524258292.db2.gz RFFKLAAMKMMWDF-UHFFFAOYSA-N 0 0 464.591 4.264 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000022799264 524274818 /nfs/dbraw/zinc/27/48/18/524274818.db2.gz DVRXVWHNBIAADF-NRFANRHFSA-N 0 0 450.627 4.184 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)CC1 ZINC000022806289 524275480 /nfs/dbraw/zinc/27/54/80/524275480.db2.gz WBLZCCXFXNBRFS-SANMLTNESA-N 0 0 498.627 4.026 50 0 JIAARN COc1ccccc1-c1nn(CN2CCN(Cc3c(F)cccc3Cl)CC2)c(=S)n1C ZINC000023256853 524285090 /nfs/dbraw/zinc/28/50/90/524285090.db2.gz AKMJQJPRTTYJEF-UHFFFAOYSA-N 0 0 461.994 4.194 50 0 JIAARN COc1ccccc1-n1c(=O)n(Cc2nc(-c3cc(C)ccc3C)oc2C)c(=O)c2cccnc21 ZINC000033271087 524299555 /nfs/dbraw/zinc/29/95/55/524299555.db2.gz QNLNVZZOQRYHAP-UHFFFAOYSA-N 0 0 468.513 4.185 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4cccc(F)c4)s3)CC2)c(C)c1 ZINC000033114140 524316844 /nfs/dbraw/zinc/31/68/44/524316844.db2.gz ZNHGDRXPQZOVQF-UHFFFAOYSA-N 0 0 488.610 4.423 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c(C)c1 ZINC000035483452 524317258 /nfs/dbraw/zinc/31/72/58/524317258.db2.gz SRJXOQRHJMVPFX-GOSISDBHSA-N 0 0 474.583 4.381 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Oc3ccccc3)CC2)c(C)c1 ZINC000089568859 524318471 /nfs/dbraw/zinc/31/84/71/524318471.db2.gz RCSKFYXTFYVBTK-UHFFFAOYSA-N 0 0 493.629 4.349 50 0 JIAARN COc1ccccc1/C=C1\SC(=O)N(CCN2C(=O)S/C(=C\c3ccccc3)C2=O)C1=O ZINC000033286194 524322671 /nfs/dbraw/zinc/32/26/71/524322671.db2.gz NRTRABMQPLHKGG-SXQSXHJWSA-N 0 0 466.540 4.468 50 0 JIAARN Cc1cc(C)cc(-c2cc3nc(C)cc(N4CCC(C(=O)NCc5ccccn5)CC4)n3n2)c1 ZINC000033275109 524354079 /nfs/dbraw/zinc/35/40/79/524354079.db2.gz NGQYHTJWQFDMAB-UHFFFAOYSA-N 0 0 454.578 4.249 50 0 JIAARN COc1ccccc1C(=O)Nn1c(=O)c2ccccc2nc1-c1ccc(Br)cc1 ZINC000027527371 524359904 /nfs/dbraw/zinc/35/99/04/524359904.db2.gz 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Cc1ccc(CN(Cc2nc(C(=O)NCc3cccnc3)co2)Cc2ccc3c(c2)OCO3)cc1 ZINC000036065728 524422763 /nfs/dbraw/zinc/42/27/63/524422763.db2.gz HAMRINMANOJBDD-UHFFFAOYSA-N 0 0 470.529 4.239 50 0 JIAARN COc1ccccc1CCn1c(C)cc(=O)c(C(=O)N2CCN(c3ccc(C)cc3C)CC2)c1C ZINC000014994131 524424070 /nfs/dbraw/zinc/42/40/70/524424070.db2.gz DEXZHBWHWNNCNC-UHFFFAOYSA-N 0 0 473.617 4.296 50 0 JIAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)c1 ZINC000033259262 524431619 /nfs/dbraw/zinc/43/16/19/524431619.db2.gz BYTLWDYWIHDBED-JOCHJYFZSA-N 0 0 467.573 4.312 50 0 JIAARN C[C@H]1CCc2c(sc3nc(CN(Cc4ccccc4)C[C@H](O)COC(C)(C)C)[nH]c(=O)c23)C1 ZINC000036205023 524437055 /nfs/dbraw/zinc/43/70/55/524437055.db2.gz UMFFWYIILJIDFW-HKUYNNGSSA-N 0 0 469.651 4.288 50 0 JIAARN C[C@H]1CCc2c(sc3nc(SCC(=O)N4CCC(C(=O)Nc5ccccc5)CC4)nc(N)c23)C1 ZINC000029356061 524437380 /nfs/dbraw/zinc/43/73/80/524437380.db2.gz VGIMZGVBSDLWQN-HNNXBMFYSA-N 0 0 495.674 4.368 50 0 JIAARN COc1ccccc1CN1C(=O)c2cc(C3CC3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 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525243440 /nfs/dbraw/zinc/24/34/40/525243440.db2.gz MCBWVRAYBKNFMP-UHFFFAOYSA-N 0 0 458.923 4.473 50 0 aggregator JIAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3S(=O)(=O)c3ccc(C)cc3C)s2)cc1 ZINC000064940931 525264863 /nfs/dbraw/zinc/26/48/63/525264863.db2.gz AKQTXHYFVQTSPI-GOSISDBHSA-N 0 0 456.593 4.241 50 0 JIAARN COc1ccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4F)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000021659244 525269388 /nfs/dbraw/zinc/26/93/88/525269388.db2.gz MTFBRBPLEKCMTL-QHCPKHFHSA-N 0 0 482.515 4.358 50 0 JIAARN COc1ccc([C@@H]2[C@H](C(=O)NCc3ccc(F)cc3)CCC(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000004759734 525274664 /nfs/dbraw/zinc/27/46/64/525274664.db2.gz OOVMJKHWTVMCNE-ATIYNZHBSA-N 0 0 476.504 4.364 50 0 JIAARN COc1ccc([C@H](C)N(C)C(=O)C[C@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)cc1 ZINC000012245095 525297199 /nfs/dbraw/zinc/29/71/99/525297199.db2.gz XEZHQCUPFYVVQM-IVCQMTBJSA-N 0 0 488.506 4.483 50 0 JIAARN Cc1ccccc1OC[C@@H](O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000033320880 525310150 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UBVLGPBTXZXSPU-FQEVSTJZSA-N 0 0 451.516 4.045 50 0 JIAARN Cc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 ZINC000016903190 525432218 /nfs/dbraw/zinc/43/22/18/525432218.db2.gz DFUYMMRINFXVJU-UGKGYDQZSA-N 0 0 459.521 4.444 50 0 JIAARN COc1ccc([C@H]2[C@H](C(=O)Nc3nnc(C(C)(C)C)s3)c3ccccc3C(=O)N2C)cc1OC ZINC000040285371 525435922 /nfs/dbraw/zinc/43/59/22/525435922.db2.gz MUWMHFMXVAHEQH-UXHICEINSA-N 0 0 480.590 4.402 50 0 JIAARN Cc1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 ZINC000016903196 525439457 /nfs/dbraw/zinc/43/94/57/525439457.db2.gz DFUYMMRINFXVJU-DENIHFKCSA-N 0 0 459.521 4.444 50 0 JIAARN Cc1cccn2c(=O)c3cc(C(=O)NCCC(c4ccccc4)c4ccccc4)n(C)c3nc12 ZINC000002917350 525458560 /nfs/dbraw/zinc/45/85/60/525458560.db2.gz HKOWLNRMCAQLSW-UHFFFAOYSA-N 0 0 450.542 4.447 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c2cc(C)cc(C)c2)cc1 ZINC000006038810 525505280 /nfs/dbraw/zinc/50/52/80/525505280.db2.gz VNQFXKILOOTCRV-UHFFFAOYSA-N 0 0 469.632 4.111 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000006163325 525507115 /nfs/dbraw/zinc/50/71/15/525507115.db2.gz VLRXFQJHGUCNCV-UHFFFAOYSA-N 0 0 478.401 4.204 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3nc(-c4ccccc4C)no3)CC2)cc1 ZINC000065320313 525517574 /nfs/dbraw/zinc/51/75/74/525517574.db2.gz QXKOFOIUBPMYPX-HSZRJFAPSA-N 0 0 494.617 4.118 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3csc(-c4cccs4)n3)CC2)c(C)c1 ZINC000033140294 525517681 /nfs/dbraw/zinc/51/76/81/525517681.db2.gz PKAKHQWIBIUTMB-UHFFFAOYSA-N 0 0 489.688 4.248 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3F)s2)cc1C ZINC000064941544 525533418 /nfs/dbraw/zinc/53/34/18/525533418.db2.gz OGSOPNMCFQGBGB-GOSISDBHSA-N 0 0 478.546 4.211 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3F)s2)cc1C ZINC000064941548 525537097 /nfs/dbraw/zinc/53/70/97/525537097.db2.gz OGSOPNMCFQGBGB-SFHVURJKSA-N 0 0 478.546 4.211 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ncoc4-c4cccc(C)c4)sc3C2)cc1 ZINC000021654655 525553916 /nfs/dbraw/zinc/55/39/16/525553916.db2.gz CCAMEXGZDCVPGS-UHFFFAOYSA-N 0 0 494.598 4.414 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3cccc(F)c3)Oc3ccc(Cl)cc32)cc1 ZINC000064986169 525556350 /nfs/dbraw/zinc/55/63/50/525556350.db2.gz HJTYKRULTYCSMB-NRFANRHFSA-N 0 0 460.914 4.383 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC(C(C)C)C(C)C)Oc3ccc(Cl)cc32)cc1 ZINC000064986156 525557239 /nfs/dbraw/zinc/55/72/39/525557239.db2.gz WBHXULPSDVCBJZ-OAQYLSRUSA-N 0 0 465.015 4.402 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3cccc(F)c3)Oc3ccc(Cl)cc32)cc1 ZINC000064986168 525557948 /nfs/dbraw/zinc/55/79/48/525557948.db2.gz HJTYKRULTYCSMB-OAQYLSRUSA-N 0 0 460.914 4.383 50 0 JIAARN Cc1c(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000030619341 525578061 /nfs/dbraw/zinc/57/80/61/525578061.db2.gz NDLBFHHWKFNIKY-GOSISDBHSA-N 0 0 458.440 4.343 50 0 JIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccc(F)cc1)C(=O)N2Cc1cccc(OC)c1 ZINC000036166387 525582926 /nfs/dbraw/zinc/58/29/26/525582926.db2.gz WGALPRRUNBBBJF-AREMUKBSSA-N 0 0 478.545 4.432 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(c3noc(-c4cccc(C)c4)n3)CC2)C(C)C)cc1 ZINC000033139575 525586693 /nfs/dbraw/zinc/58/66/93/525586693.db2.gz ORTWIIBKPMHJCJ-QHCPKHFHSA-N 0 0 496.633 4.063 50 0 JIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1cccc(OC)c1)C(=O)N2Cc1ccccc1F ZINC000036165940 525595275 /nfs/dbraw/zinc/59/52/75/525595275.db2.gz IEHVDQFTQXLKAT-SANMLTNESA-N 0 0 478.545 4.432 50 0 JIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1cccc(OC)c1)C(=O)N2Cc1cccc(OC)c1 ZINC000036166457 525595697 /nfs/dbraw/zinc/59/56/97/525595697.db2.gz SKGRCMLYNOARNG-MHZLTWQESA-N 0 0 490.581 4.301 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H](C(=O)NC4CCCCCC4)C3)cc2)cc1 ZINC000021706610 525598190 /nfs/dbraw/zinc/59/81/90/525598190.db2.gz PMPYRMRYAPRMPX-JOCHJYFZSA-N 0 0 497.661 4.487 50 0 JIAARN COc1ccc2c(c1)c(NC(C)=O)c1n2C[C@@](C)(C(=O)NC2CCCC2)N(C2CCCCC2)C1=O ZINC000021865963 525602744 /nfs/dbraw/zinc/60/27/44/525602744.db2.gz WVJWRZOOMPKGJB-MHZLTWQESA-N 0 0 480.609 4.214 50 0 JIAARN COc1ccc2c(c1)c1nc(SCC(=O)Nc3cc(C)c(Cl)cc3OC)n(C)c(=O)c1n2C ZINC000033287681 525604384 /nfs/dbraw/zinc/60/43/84/525604384.db2.gz LZFIWWJKTROHSZ-UHFFFAOYSA-N 0 0 486.981 4.135 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC[C@H](C[NH+]4CCCC4)C3)c(C(=O)[O-])c2)cc1C ZINC000033253740 525606632 /nfs/dbraw/zinc/60/66/32/525606632.db2.gz QAMIVBJSXALQBK-HXUWFJFHSA-N 0 0 471.623 4.115 50 0 JIAARN Cc1c(C(=O)NCCOC23CC4CC(CC(C4)C2)C3)sc2nc3n(c(=O)c12)CCCCC3 ZINC000020489124 525615121 /nfs/dbraw/zinc/61/51/21/525615121.db2.gz FZBKIOOQRRKSBV-UHFFFAOYSA-N 0 0 455.624 4.208 50 0 JIAARN Cc1c(C(=O)NC[C@@H]2CCCO2)sc2ncnc(NCC3(c4ccccc4)CCOCC3)c12 ZINC000014992464 525622105 /nfs/dbraw/zinc/62/21/05/525622105.db2.gz MIKGKUHPSJSMAH-IBGZPJMESA-N 0 0 466.607 4.069 50 0 JIAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cn2)cc1C ZINC000064942603 525631562 /nfs/dbraw/zinc/63/15/62/525631562.db2.gz GRIMKWKGEUBHEF-UHFFFAOYSA-N 0 0 469.994 4.147 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000044974781 525634201 /nfs/dbraw/zinc/63/42/01/525634201.db2.gz RJNMMKFYMCQIPH-UHFFFAOYSA-N 0 0 483.571 4.100 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCCC1)N(Cc1cccnc1)C3=O ZINC000021857892 525646758 /nfs/dbraw/zinc/64/67/58/525646758.db2.gz HQULLDXCVGROLX-HHHXNRCGSA-N 0 0 460.578 4.299 50 0 JIAARN Cc1c(C(=O)Nc2cccc(-n3cnnn3)c2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000012273980 525658723 /nfs/dbraw/zinc/65/87/23/525658723.db2.gz XBQZEBRJIQTDBE-UHFFFAOYSA-N 0 0 497.906 4.265 50 0 JIAARN Cc1cc2nc(CSc3nnc(NC(=O)Nc4ccc(C)c(Cl)c4)s3)cc(=O)n2o1 ZINC000035429585 525675314 /nfs/dbraw/zinc/67/53/14/525675314.db2.gz QBMAMHWOBLGPHC-UHFFFAOYSA-N 0 0 462.944 4.346 50 0 JIAARN C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000027521303 525695622 /nfs/dbraw/zinc/69/56/22/525695622.db2.gz ADWPGAKZHIOYKZ-STOISNSZSA-N 0 0 474.354 4.381 50 0 JIAARN Cc1cc2occ(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)c2c(C)c1 ZINC000016738357 525699223 /nfs/dbraw/zinc/69/92/23/525699223.db2.gz RDVANZRTHMMHMD-HDICACEKSA-N 0 0 456.564 4.029 50 0 JIAARN COc1cccc(-c2cc(N3CCN(C(=O)Nc4ccc(Br)cc4F)CC3)ncn2)c1 ZINC000065007709 525705171 /nfs/dbraw/zinc/70/51/71/525705171.db2.gz XSEGLNGOGAEYHB-UHFFFAOYSA-N 0 0 486.345 4.408 50 0 JIAARN COc1cccc(-c2cc3c(N4CCC[C@H](C(=O)NCc5ccc(F)cc5F)C4)nccn3n2)c1 ZINC000033266460 525708812 /nfs/dbraw/zinc/70/88/12/525708812.db2.gz CURJINPTMIEAIH-IBGZPJMESA-N 0 0 477.515 4.216 50 0 JIAARN COc1cccc(-c2cc3c(N4CCC(C(=O)NCCc5cccs5)CC4)nccn3n2)c1 ZINC000033266719 525709417 /nfs/dbraw/zinc/70/94/17/525709417.db2.gz UOZFPSNZAKNGBA-UHFFFAOYSA-N 0 0 461.591 4.042 50 0 JIAARN COc1cccc(-c2nn(C)c3sc(C(=O)NCCc4ccc(OC)c(OC)c4)cc23)c1 ZINC000020233376 525730705 /nfs/dbraw/zinc/73/07/05/525730705.db2.gz AZESUPKFDQTCRK-UHFFFAOYSA-N 0 0 451.548 4.300 50 0 biogenic JIAARN COc1cccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccco3)n2)c1OC ZINC000012415727 525737059 /nfs/dbraw/zinc/73/70/59/525737059.db2.gz HZPZWQGJNWUYNG-UHFFFAOYSA-N 0 0 476.514 4.397 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)NCc3ccccc3C)CC2)c1 ZINC000033302370 525744139 /nfs/dbraw/zinc/74/41/39/525744139.db2.gz SGTRXUICHDPMEG-UHFFFAOYSA-N 0 0 488.613 4.297 50 0 JIAARN Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(F)cc3F)n2)cc1NC(=O)C(C)C ZINC000016625709 525745533 /nfs/dbraw/zinc/74/55/33/525745533.db2.gz NDDSCCJZBWVUDR-OAHLLOKOSA-N 0 0 454.477 4.291 50 0 JIAARN Cc1ccc(-c2ccc(N3CCN(c4ccccc4)CC3)nn2)cc1S(=O)(=O)N1CCCCCC1 ZINC000065009520 525754526 /nfs/dbraw/zinc/75/45/26/525754526.db2.gz SJTCYYBPYLVRQS-UHFFFAOYSA-N 0 0 491.661 4.343 50 0 JIAARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1 ZINC000033129746 525778307 /nfs/dbraw/zinc/77/83/07/525778307.db2.gz XYDYQZAPAPMPMZ-UHFFFAOYSA-N 0 0 462.015 4.169 50 0 JIAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000046123748 525783780 /nfs/dbraw/zinc/78/37/80/525783780.db2.gz SBEDDARXLIMWOV-AWEZNQCLSA-N 0 0 495.001 4.460 50 0 JIAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(N2CCC[C@@H](C[NH+]3CCCC3)C2)c(C(=O)[O-])c1 ZINC000033253769 525784301 /nfs/dbraw/zinc/78/43/01/525784301.db2.gz ORVQCZMCDKILLE-SFHVURJKSA-N 0 0 492.041 4.460 50 0 JIAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1CCCc1ccccc1 ZINC000021811923 525792339 /nfs/dbraw/zinc/79/23/39/525792339.db2.gz GBLCFXHHVFJDAR-MHZLTWQESA-N 0 0 460.578 4.439 50 0 JIAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1CCc1ccccc1 ZINC000021851626 525796486 /nfs/dbraw/zinc/79/64/86/525796486.db2.gz KRJMOHJWKMOMOC-MHZLTWQESA-N 0 0 460.578 4.439 50 0 JIAARN COc1cccc(C(=O)NC2CCC(NC(=O)c3csc(COc4ccccc4OC)n3)CC2)c1 ZINC000034905722 525811964 /nfs/dbraw/zinc/81/19/64/525811964.db2.gz MSYCWJRJEISXGC-UHFFFAOYSA-N 0 0 495.601 4.210 50 0 JIAARN COc1cccc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2csc(COc3ccccc3)n2)c1 ZINC000034905154 525830156 /nfs/dbraw/zinc/83/01/56/525830156.db2.gz AFANOSOUWJYUEW-SFTDATJTSA-N 0 0 465.575 4.202 50 0 JIAARN COc1cccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)c1OC ZINC000016960749 525833313 /nfs/dbraw/zinc/83/33/13/525833313.db2.gz LIPSGRCPLGNYEF-UHFFFAOYSA-N 0 0 470.522 4.237 50 0 JIAARN COc1cccc(C(=O)Nc2ccccc2C(=O)OCc2cc(=O)n3c(n2)sc2c3CCCC2)c1 ZINC000008607823 525836343 /nfs/dbraw/zinc/83/63/43/525836343.db2.gz NZWPYVMKYKDNIK-UHFFFAOYSA-N 0 0 489.553 4.253 50 0 JIAARN Cc1c(NC(=O)CSc2nc(-c3ccc(Br)cc3)c[nH]2)c(=O)n(-c2ccccc2)n1C ZINC000009223460 525836358 /nfs/dbraw/zinc/83/63/58/525836358.db2.gz YSYVOBKCWLVOLA-UHFFFAOYSA-N 0 0 498.406 4.368 50 0 JIAARN Cc1c(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000012466034 525864822 /nfs/dbraw/zinc/86/48/22/525864822.db2.gz JSYHRMXAPHMNKJ-FUHWJXTLSA-N 0 0 486.454 4.187 50 0 JIAARN COc1cccc(CC(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(Br)cc2)c1 ZINC000027527439 525876613 /nfs/dbraw/zinc/87/66/13/525876613.db2.gz LPCHDCBGBTYPRU-UHFFFAOYSA-N 0 0 464.319 4.147 50 0 JIAARN C[C@H](OC(=O)CN1CCCCCC1=O)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000016044011 525882116 /nfs/dbraw/zinc/88/21/16/525882116.db2.gz IPPPDOAVKADFKR-KRWDZBQOSA-N 0 0 465.575 4.160 50 0 JIAARN Cc1c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000065008837 525886046 /nfs/dbraw/zinc/88/60/46/525886046.db2.gz UELQIXKGKTTWHJ-UHFFFAOYSA-N 0 0 485.562 4.470 50 0 JIAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)N[C@@H](C)c3cccnc3)C2)cc1 ZINC000033302535 525895423 /nfs/dbraw/zinc/89/54/23/525895423.db2.gz NUYSMUTVHXZKKQ-AZUAARDMSA-N 0 0 473.602 4.244 50 0 JIAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000033175390 525895923 /nfs/dbraw/zinc/89/59/23/525895923.db2.gz JHCTWBRQJJOBFM-UHFFFAOYSA-N 0 0 478.643 4.392 50 0 JIAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCc3ccccc3F)C2)cc1 ZINC000033302509 525896071 /nfs/dbraw/zinc/89/60/71/525896071.db2.gz MFCAETJFBQHYQG-IBGZPJMESA-N 0 0 476.577 4.428 50 0 JIAARN Cc1ccc(-n2c3nc(-c4ccc(F)cc4F)nc(C(N)=O)c3n(Cc3ccccc3)c2=O)cc1C ZINC000064966050 525903908 /nfs/dbraw/zinc/90/39/08/525903908.db2.gz VGSOMXHEXQPHNM-UHFFFAOYSA-N 0 0 485.494 4.291 50 0 JIAARN Cc1ccc(-n2cc3c(c(C(=O)NCCN4CCc5ccccc5C4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000436 525910801 /nfs/dbraw/zinc/91/08/01/525910801.db2.gz QRTOVCYDDVAEFU-UHFFFAOYSA-N 0 0 483.612 4.089 50 0 JIAARN Cc1ccc(-n2nc(N3CCC[C@H](C(=O)Nc4ccc(F)c(F)c4)C3)ccc2=O)cc1Cl ZINC000064928719 525930126 /nfs/dbraw/zinc/93/01/26/525930126.db2.gz XSMSPROTLBMDCB-HNNXBMFYSA-N 0 0 458.896 4.328 50 0 JIAARN COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)c1OC ZINC000021860801 525930477 /nfs/dbraw/zinc/93/04/77/525930477.db2.gz GQNWYEPEBMVLDC-HASBYKLKSA-N 0 0 490.604 4.163 50 0 JIAARN Cc1cn2c(nc(COc3ccc(C)cc3NC(=O)COc3ccccc3F)cc2=O)s1 ZINC000064976852 525941996 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482.924 4.358 50 0 JIAARN O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCC1(c3ccccc3)CCCC1)C2)c1ccncc1 ZINC000014951228 527509733 /nfs/dbraw/zinc/50/97/33/527509733.db2.gz CZYDWGOXOWNYPA-SFHVURJKSA-N 0 0 474.586 4.164 50 0 JIAARN O=C(NC1CCCCCC1)[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C1 ZINC000021706595 527519414 /nfs/dbraw/zinc/51/94/14/527519414.db2.gz QHWUZNHYJVMQAD-NRFANRHFSA-N 0 0 483.634 4.179 50 0 JIAARN Cc1nn(-c2ccc(C)cc2)c2ccn(CC(=O)NCc3cccc(C(F)(F)F)c3)c(=O)c12 ZINC000033173144 527523321 /nfs/dbraw/zinc/52/33/21/527523321.db2.gz RSJZCULBFUTERR-UHFFFAOYSA-N 0 0 454.452 4.139 50 0 JIAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1cccc(OCc3cccc(F)c3)c1)CC(=O)N2 ZINC000021726657 527532638 /nfs/dbraw/zinc/53/26/38/527532638.db2.gz MQAXQROMKDVROW-NRFANRHFSA-N 0 0 483.507 4.119 50 0 JIAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccc(OCCc3ccccc3)cc1)CC(=O)N2 ZINC000021726456 527532702 /nfs/dbraw/zinc/53/27/02/527532702.db2.gz SSKQMYHBENIRJM-QFIPXVFZSA-N 0 0 479.544 4.022 50 0 JIAARN Cc1nn(-c2ccc3nncn3n2)c2c1[C@@H](c1ccccc1OCc1cccc(Cl)c1)CC(=O)N2 ZINC000046016757 527533999 /nfs/dbraw/zinc/53/39/99/527533999.db2.gz UQZIMAZINBKMMJ-LJQANCHMSA-N 0 0 485.935 4.325 50 0 JIAARN O=C(Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2)c1sc2ccccc2c1Cl ZINC000016734972 527541545 /nfs/dbraw/zinc/54/15/45/527541545.db2.gz OOHNRMWZAWRWQT-NSHDSACASA-N 0 0 495.047 4.274 50 0 JIAARN O=C(NCCC(=O)N1CCO[C@H](COCc2c(Cl)cccc2Cl)C1)OCc1ccccc1 ZINC000022630959 527616107 /nfs/dbraw/zinc/61/61/07/527616107.db2.gz LMAFXUUWUXRXIA-SFHVURJKSA-N 0 0 481.376 4.054 50 0 JIAARN Cn1nnnc1-c1cccc(NC(=O)c2c3ccccc3nc3c2CN(Cc2ccccc2)CC3)c1 ZINC000021560333 527654916 /nfs/dbraw/zinc/65/49/16/527654916.db2.gz LFPLHKTZOVTLMW-UHFFFAOYSA-N 0 0 475.556 4.236 50 0 JIAARN Cc1nn(C)cc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1-c1ccc(Cl)cc1 ZINC000002749297 527688325 /nfs/dbraw/zinc/68/83/25/527688325.db2.gz TUFSWZKVVGZALC-UHFFFAOYSA-N 0 0 482.953 4.089 50 0 JIAARN Cc1nn(C)cc1/C=C1\N=C(SCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)N(C2CC2)C1=O ZINC000002800017 527689130 /nfs/dbraw/zinc/68/91/30/527689130.db2.gz AFFXENUIOOHTOY-APSNUPSMSA-N 0 0 495.939 4.057 50 0 JIAARN CCCCNC(=O)N1C[C@H](C(=O)NCCc2ccccc2OC)CC[C@@H]1c1ccc(F)cc1 ZINC000096281807 535288640 /nfs/dbraw/zinc/28/86/40/535288640.db2.gz CFBGPHWKISLWMA-FYYLOGMGSA-N 0 0 455.574 4.456 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000096279499 536691698 /nfs/dbraw/zinc/69/16/98/536691698.db2.gz KFZJDJMGCGCSRA-OAQYLSRUSA-N 0 0 451.523 4.346 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCC1 ZINC000096279558 536814572 /nfs/dbraw/zinc/81/45/72/536814572.db2.gz ISVMQODNIDJNHG-HSZRJFAPSA-N 0 0 471.960 4.432 50 0 JIAARN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2Cl)CC1 ZINC000000623978 553712834 /nfs/dbraw/zinc/71/28/34/553712834.db2.gz YILXUEBYGWVMTD-UHFFFAOYSA-N 0 0 454.752 4.252 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)c1cccc(NS(=O)(=O)c3cccc(Cl)c3)c1)CC2 ZINC000000631519 553718251 /nfs/dbraw/zinc/71/82/51/553718251.db2.gz KFRNYPDHJRWWFO-UHFFFAOYSA-N 0 0 486.977 4.357 50 0 JIAARN Cc1cccc2nc(C3CCCCC3)nc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c12 ZINC000000633250 553719326 /nfs/dbraw/zinc/71/93/26/553719326.db2.gz PJZHHOSOQOULIL-UHFFFAOYSA-N 0 0 450.608 4.497 50 0 JIAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3OC)nnc2-c2cccnc2)cc1 ZINC000000650933 553732099 /nfs/dbraw/zinc/73/20/99/553732099.db2.gz GLOLIAACRNTZND-UHFFFAOYSA-N 0 0 477.546 4.086 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)n2C)c1 ZINC000000650937 553732134 /nfs/dbraw/zinc/73/21/34/553732134.db2.gz SUFOXNIMTXYSDY-UHFFFAOYSA-N 0 0 464.547 4.295 50 0 JIAARN CCn1cc(CNC(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)cn1 ZINC000000653749 553734198 /nfs/dbraw/zinc/73/41/98/553734198.db2.gz RXCCWSQXSOSDGP-UHFFFAOYSA-N 0 0 454.865 4.276 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccc(Br)cc2)cc1 ZINC000000654627 553735322 /nfs/dbraw/zinc/73/53/22/553735322.db2.gz IYQONYDBNYUFQG-UHFFFAOYSA-N 0 0 451.386 4.012 50 0 JIAARN O=C(c1ccc(COc2ccc(Br)cc2)o1)N1NC(C(F)F)=C[C@]1(O)C(F)F ZINC000000655448 553735870 /nfs/dbraw/zinc/73/58/70/553735870.db2.gz QDVNZAVAXSQBKM-KRWDZBQOSA-N 0 0 465.197 4.042 50 0 JIAARN O=C(CCn1cnc2ccccc2c1=O)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000000665961 553742290 /nfs/dbraw/zinc/74/22/90/553742290.db2.gz QCBXQBJDHAGHAG-UHFFFAOYSA-N 0 0 457.968 4.223 50 0 JIAARN O=C(COc1ccc2ccccc2c1Br)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000671162 553745337 /nfs/dbraw/zinc/74/53/37/553745337.db2.gz YICYWDDZNCPYJC-UHFFFAOYSA-N 0 0 489.391 4.404 50 0 JIAARN Cc1nn(C)cc1CNC(=O)c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000000672165 553745922 /nfs/dbraw/zinc/74/59/22/553745922.db2.gz QTMCSVDWEYVTDM-UHFFFAOYSA-N 0 0 493.287 4.150 50 0 JIAARN Cc1sc(NC(=O)COc2c(C)cc(Br)cc2Br)c(C(N)=O)c1C ZINC000000674425 553748120 /nfs/dbraw/zinc/74/81/20/553748120.db2.gz RDRNDNBQPLDTOR-UHFFFAOYSA-N 0 0 476.190 4.315 50 0 JIAARN O=C(Cc1cccc2ccccc21)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000675550 553749267 /nfs/dbraw/zinc/74/92/67/553749267.db2.gz ZIBIHBMQBJICMZ-UHFFFAOYSA-N 0 0 467.616 4.070 50 0 JIAARN CCC(=O)Oc1ccc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)cc1 ZINC000000684295 553755476 /nfs/dbraw/zinc/75/54/76/553755476.db2.gz NWUVBDQMPNOIFP-QFIPXVFZSA-N 0 0 450.520 4.410 50 0 JIAARN CCC(=O)Oc1cccc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)c1 ZINC000000684332 553755495 /nfs/dbraw/zinc/75/54/95/553755495.db2.gz INXSLIVYDFMDPK-QFIPXVFZSA-N 0 0 450.520 4.410 50 0 JIAARN CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000687405 553757412 /nfs/dbraw/zinc/75/74/12/553757412.db2.gz JTSVAFGOHNUEDK-UHFFFAOYSA-N 0 0 477.512 4.286 50 0 JIAARN COc1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3Cl)C(C)C)n2C)c1 ZINC000000687486 553757550 /nfs/dbraw/zinc/75/75/50/553757550.db2.gz DCLQHMKPLOWHFD-FQEVSTJZSA-N 0 0 488.013 4.335 50 0 JIAARN CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)c4ccc(C)cc4)cc3C2=O)cc1 ZINC000000688641 553758364 /nfs/dbraw/zinc/75/83/64/553758364.db2.gz ZTJGIZVXKAOXDY-QGZVFWFLSA-N 0 0 455.466 4.426 50 0 JIAARN CCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)n1 ZINC000000697034 553760537 /nfs/dbraw/zinc/76/05/37/553760537.db2.gz QKGSLVRISSWQCZ-UHFFFAOYSA-N 0 0 472.501 4.252 50 0 JIAARN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc3ccccc3c2)C1)c1ccc(Br)cc1 ZINC000000712383 553767240 /nfs/dbraw/zinc/76/72/40/553767240.db2.gz RAFAFTUNQIFJPX-GOSISDBHSA-N 0 0 452.304 4.381 50 0 JIAARN CCCS(=O)(=O)c1c(C(=O)c2ccc(F)cc2)n2cc(C)cc(C)c2c1S(=O)(=O)CCC ZINC000000714518 553767701 /nfs/dbraw/zinc/76/77/01/553767701.db2.gz VFXSTBKGXPUREM-UHFFFAOYSA-N 0 0 479.595 4.294 50 0 JIAARN CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccn2)ccc1OCc1ccccc1 ZINC000000723984 553773262 /nfs/dbraw/zinc/77/32/62/553773262.db2.gz ZTVVFWZHCRISPC-XMMPIXPASA-N 0 0 474.586 4.491 50 0 JIAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)CC)cc2)cc1Br ZINC000000724686 553773752 /nfs/dbraw/zinc/77/37/52/553773752.db2.gz UCYNVFHDWJABHY-UHFFFAOYSA-N 0 0 450.358 4.323 50 0 JIAARN CCOC(=O)c1c(NC(=O)[C@H](CC)N2C(=O)c3ccccc3C2=O)sc2c1CCCCC2 ZINC000000728967 553775161 /nfs/dbraw/zinc/77/51/61/553775161.db2.gz KCCZHDPROVSPGN-KRWDZBQOSA-N 0 0 454.548 4.207 50 0 JIAARN Cc1cc(C)cc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000000778654 553778511 /nfs/dbraw/zinc/77/85/11/553778511.db2.gz BVIZPLOVGXPIKF-UHFFFAOYSA-N 0 0 470.522 4.048 50 0 JIAARN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2Cc2ccco2)cc1 ZINC000000780173 553778718 /nfs/dbraw/zinc/77/87/18/553778718.db2.gz LPOKFBQPZOCLMH-UHFFFAOYSA-N 0 0 492.557 4.309 50 0 JIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2I)cc1 ZINC000000821206 553786409 /nfs/dbraw/zinc/78/64/09/553786409.db2.gz KSTQWHBLQPNCQU-CQSZACIVSA-N 0 0 484.359 4.107 50 0 JIAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2I)cc1 ZINC000000821205 553786433 /nfs/dbraw/zinc/78/64/33/553786433.db2.gz KSTQWHBLQPNCQU-AWEZNQCLSA-N 0 0 484.359 4.107 50 0 JIAARN CC(=O)Oc1c(Br)cc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000000822145 553786738 /nfs/dbraw/zinc/78/67/38/553786738.db2.gz MTHDJZLMERZSHH-UHFFFAOYSA-N 0 0 462.321 4.269 50 0 JIAARN COc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1c(C)cc(C)cc1C ZINC000000822424 553786935 /nfs/dbraw/zinc/78/69/35/553786935.db2.gz NIAFANJGTBOICW-JOCHJYFZSA-N 0 0 493.585 4.165 50 0 JIAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 ZINC000000825776 553788129 /nfs/dbraw/zinc/78/81/29/553788129.db2.gz TXUMECRCGLIMCR-SIAIGSQXSA-N 0 0 453.538 4.473 50 0 JIAARN O=C(Nc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1)N1CCN(c2ccccc2)CC1 ZINC000000827384 553788891 /nfs/dbraw/zinc/78/88/91/553788891.db2.gz LHPDDBGADQDQLZ-UHFFFAOYSA-N 0 0 484.604 4.395 50 0 aggregator JIAARN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(I)cc4)cc3n2)cc1 ZINC000000828072 553789502 /nfs/dbraw/zinc/78/95/02/553789502.db2.gz MHTQMCMSWCKVDH-UHFFFAOYSA-N 0 0 470.270 4.286 50 0 JIAARN COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000000875713 553812675 /nfs/dbraw/zinc/81/26/75/553812675.db2.gz BLQYBTWPTRIHOS-UHFFFAOYSA-N 0 0 460.939 4.191 50 0 JIAARN COc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000000883043 553819726 /nfs/dbraw/zinc/81/97/26/553819726.db2.gz DOSNRXWWCWDIDP-UHFFFAOYSA-N 0 0 489.391 4.287 50 0 JIAARN COc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)N2CCCCC2)cc1 ZINC000000907089 553839354 /nfs/dbraw/zinc/83/93/54/553839354.db2.gz KKXQHYHFNVFJGN-UHFFFAOYSA-N 0 0 484.651 4.080 50 0 JIAARN NC(=O)c1c2c(sc1NC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N3)CCCC2 ZINC000000919727 553851359 /nfs/dbraw/zinc/85/13/59/553851359.db2.gz USYUAOFZCZJSKC-IAQYHMDHSA-N 0 0 479.484 4.428 50 0 JIAARN CCn1cc(CNC(=O)CSc2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n2)c(C)n1 ZINC000000920005 553852239 /nfs/dbraw/zinc/85/22/39/553852239.db2.gz WUAZRDCRKQYQNN-UHFFFAOYSA-N 0 0 495.527 4.113 50 0 JIAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000000921530 553854761 /nfs/dbraw/zinc/85/47/61/553854761.db2.gz IBPMTRCBQBQCMH-UHFFFAOYSA-N 0 0 450.944 4.031 50 0 JIAARN Cn1cnnc1S[C@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000921813 553855046 /nfs/dbraw/zinc/85/50/46/553855046.db2.gz REKTYARKPPJXLR-PMACEKPBSA-N 0 0 456.980 4.488 50 0 JIAARN CCOc1ccc(NC(=S)N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000000939600 553875828 /nfs/dbraw/zinc/87/58/28/553875828.db2.gz PZUINKUJNDVCSO-KRWDZBQOSA-N 0 0 460.814 4.427 50 0 JIAARN C[C@H]1CCc2c(sc3ncn(CCn4cnc5sc6c(c5c4=O)CC[C@H](C)C6)c(=O)c23)C1 ZINC000000952595 553882158 /nfs/dbraw/zinc/88/21/58/553882158.db2.gz SUSMDNMMGSRBPP-KBPBESRZSA-N 0 0 466.632 4.179 50 0 JIAARN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000000953344 553882390 /nfs/dbraw/zinc/88/23/90/553882390.db2.gz MMAHGJAHXLBVRQ-OAQYLSRUSA-N 0 0 450.560 4.305 50 0 JIAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2ncn(CC(=O)OCc3ccccc3)c(=O)c12 ZINC000000958419 553884845 /nfs/dbraw/zinc/88/48/45/553884845.db2.gz HRIWKLJQKSJCHP-UHFFFAOYSA-N 0 0 461.543 4.379 50 0 JIAARN O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1CNc1ccc(I)cc1 ZINC000001027860 553900798 /nfs/dbraw/zinc/90/07/98/553900798.db2.gz OJYAWQPDGMGKHG-DHDCSXOGSA-N 0 0 468.341 4.268 50 0 JIAARN C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCC1=O ZINC000001057642 553902106 /nfs/dbraw/zinc/90/21/06/553902106.db2.gz IKCGJSFJAPRKDV-NSHDSACASA-N 0 0 453.709 4.424 50 0 JIAARN O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1cccc(Br)c1 ZINC000001154478 553917873 /nfs/dbraw/zinc/91/78/73/553917873.db2.gz PYPYIQZGPCUTEC-XMMPIXPASA-N 0 0 450.332 4.499 50 0 JIAARN COc1ccc(C)cc1NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001161048 553920057 /nfs/dbraw/zinc/92/00/57/553920057.db2.gz GNODRWHQPQQKCN-UHFFFAOYSA-N 0 0 452.576 4.450 50 0 JIAARN O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc(Br)c1 ZINC000001169802 553921931 /nfs/dbraw/zinc/92/19/31/553921931.db2.gz YSBTUCKOPFTURX-UHFFFAOYSA-N 0 0 454.777 4.066 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000001175206 553925679 /nfs/dbraw/zinc/92/56/79/553925679.db2.gz JZRDYJASFRXWBM-ULJHMMPZSA-N 0 0 471.513 4.231 50 0 JIAARN O=c1[nH]c(=O)n(CCc2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(Cc1ccccc1)N2 ZINC000001264234 553938125 /nfs/dbraw/zinc/93/81/25/553938125.db2.gz MMMYCHBETMGDHW-UHFFFAOYSA-N 0 0 496.411 4.166 50 0 JIAARN O=C(OC[C@H]1[C@H](COC(=O)c2ccc(Cl)nc2)C1(Cl)Cl)c1ccc(Cl)nc1 ZINC000001462502 553975878 /nfs/dbraw/zinc/97/58/78/553975878.db2.gz KNVUQSHDCWNWFW-RYUDHWBXSA-N 0 0 450.105 4.217 50 0 JIAARN O=C(COc1ccc(Cl)cc1Cl)NCCC(=O)OCC(=O)c1ccc(Br)cc1 ZINC000002052608 554011971 /nfs/dbraw/zinc/01/19/71/554011971.db2.gz KOMHIKXNOVSYBC-UHFFFAOYSA-N 0 0 489.149 4.067 50 0 JIAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000002059938 554016427 /nfs/dbraw/zinc/01/64/27/554016427.db2.gz ZRZRBVJMNRGQIT-PZHBDVNGSA-N 0 0 481.017 4.359 50 0 JIAARN CCc1nnc(NC(=O)CSc2nnc(COc3ccc(OC)cc3)n2-c2ccc(C)cc2)s1 ZINC000002074251 554023968 /nfs/dbraw/zinc/02/39/68/554023968.db2.gz UBVGBJYHRKQASI-UHFFFAOYSA-N 0 0 496.618 4.308 50 0 JIAARN COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)cc1 ZINC000002078147 554025084 /nfs/dbraw/zinc/02/50/84/554025084.db2.gz DKOVIQGHZJNUQZ-LMGFAJPXSA-N 0 0 488.337 4.376 50 0 JIAARN O=C1NC(=S)SC1=Cc1ccccc1OCOc1ccccc1C=C1SC(=S)NC1=O ZINC000002092628 554036238 /nfs/dbraw/zinc/03/62/38/554036238.db2.gz XSKOUVCDGQTWBO-CZCYGEDCSA-N 0 0 486.621 4.080 50 0 JIAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1C ZINC000002094267 554038231 /nfs/dbraw/zinc/03/82/31/554038231.db2.gz SYLFMCPPXNXABU-IVZQSRNASA-N 0 0 457.548 4.017 50 0 JIAARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000002094798 554038943 /nfs/dbraw/zinc/03/89/43/554038943.db2.gz KNZVLUOZEKTOIU-HJPURHCSSA-N 0 0 483.586 4.197 50 0 JIAARN CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1 ZINC000002096188 554040589 /nfs/dbraw/zinc/04/05/89/554040589.db2.gz WPDPLFIXFNZROR-NRFANRHFSA-N 0 0 457.548 4.161 50 0 biogenic JIAARN COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3cccc(OC)c3)C2=O)cc1 ZINC000002103046 554043592 /nfs/dbraw/zinc/04/35/92/554043592.db2.gz HKBBTNWEDFDEJZ-WNJJXGMVSA-N 0 0 495.579 4.113 50 0 biogenic JIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(F)cc4)CC(=O)N32)c1 ZINC000002103383 554043786 /nfs/dbraw/zinc/04/37/86/554043786.db2.gz WILNTMVDALUTTQ-IGKIAQTJSA-N 0 0 469.516 4.201 50 0 biogenic JIAARN COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3ccc(C)cc3)C2=O)cc1 ZINC000002103568 554044148 /nfs/dbraw/zinc/04/41/48/554044148.db2.gz MWAAKLWQNZISNC-WNJJXGMVSA-N 0 0 479.580 4.413 50 0 biogenic JIAARN CC(=O)Oc1ccc2c(-c3cc4cc(Br)ccc4oc3=O)cc(=O)oc2c1OC(C)=O ZINC000002108541 554048464 /nfs/dbraw/zinc/04/84/64/554048464.db2.gz VPSYLUXAIZXMNN-UHFFFAOYSA-N 0 0 485.242 4.180 50 0 biogenic JIAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccccc3OC)CC(=O)N12 ZINC000002111145 554049914 /nfs/dbraw/zinc/04/99/14/554049914.db2.gz DKITYROPXBTOHL-PWUYWRBVSA-N 0 0 495.579 4.460 50 0 biogenic JIAARN COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)cc1 ZINC000002148096 554067555 /nfs/dbraw/zinc/06/75/55/554067555.db2.gz WHDUCNLAEBSWIC-ZCYQVOJMSA-N 0 0 465.509 4.433 50 0 biogenic JIAARN CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)cc(CC)c12 ZINC000002149286 554068372 /nfs/dbraw/zinc/06/83/72/554068372.db2.gz SQUCESULCYBBJP-LJQANCHMSA-N 0 0 457.548 4.025 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Oc2ccc3c(C)cc(=O)oc3c2C)cc1 ZINC000002150091 554069053 /nfs/dbraw/zinc/06/90/53/554069053.db2.gz NMRYRZLNGBYACO-FQEVSTJZSA-N 0 0 457.548 4.017 50 0 biogenic JIAARN O=C1[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C(=O)N1c1ccc2c(c1)OCCO2 ZINC000002149945 554069059 /nfs/dbraw/zinc/06/90/59/554069059.db2.gz DJIUMEBBLFJGPB-SQJMNOBHSA-N 0 0 451.482 4.422 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2ccc3c(C)cc(=O)oc3c2C)cc1 ZINC000002152142 554070451 /nfs/dbraw/zinc/07/04/51/554070451.db2.gz WYIKKVDJBCPRDK-QHCPKHFHSA-N 0 0 491.565 4.213 50 0 biogenic JIAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N23)c1OC ZINC000002152404 554070721 /nfs/dbraw/zinc/07/07/21/554070721.db2.gz QEVQWBWRVGQWPH-WNCULLNHSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN CCOC(=O)C1=NN(c2cccc(C(F)(F)F)c2)C2=NC(C)=C(C(=O)OC)[C@H](c3cccs3)N12 ZINC000002181133 554079910 /nfs/dbraw/zinc/07/99/10/554079910.db2.gz OWTNLFRHOWWAHW-KRWDZBQOSA-N 0 0 492.479 4.323 50 0 JIAARN COC(=O)[C@](NC(=O)c1ccccc1OC)(Nc1ccc(OC(F)(F)Cl)cc1)C(F)(F)F ZINC000002192080 554087169 /nfs/dbraw/zinc/08/71/69/554087169.db2.gz YPXCBQIVYREUMA-QGZVFWFLSA-N 0 0 482.789 4.137 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H]2c3cccc4cccc(c34)[C@H]2Sc2nnc(N)s2)cc1 ZINC000002214734 554097283 /nfs/dbraw/zinc/09/72/83/554097283.db2.gz BXNNOWWWMMFQCK-RBUKOAKNSA-N 0 0 454.602 4.449 50 0 JIAARN Cc1cc(C)c2oc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)cc(=O)c2c1 ZINC000002226675 554103469 /nfs/dbraw/zinc/10/34/69/554103469.db2.gz BYXZFFGZRPCQTA-OAHLLOKOSA-N 0 0 466.559 4.121 50 0 JIAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 ZINC000002261503 554122364 /nfs/dbraw/zinc/12/23/64/554122364.db2.gz GHOZDYWCKGQGKZ-UHFFFAOYSA-N 0 0 488.569 4.392 50 0 JIAARN COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000002263535 554123565 /nfs/dbraw/zinc/12/35/65/554123565.db2.gz UHRMRVSTEXBGRQ-UHFFFAOYSA-N 0 0 465.579 4.215 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2cccc(OC(C)C)c2)n1N ZINC000002264054 554123740 /nfs/dbraw/zinc/12/37/40/554123740.db2.gz YOAKZAZQIJWVNR-UHFFFAOYSA-N 0 0 476.400 4.248 50 0 JIAARN COc1ccc(Cn2c(N)c(S(=O)(=O)c3ccc(C)cc3)c3nc4ccccc4nc32)cc1OC ZINC000002268287 554125899 /nfs/dbraw/zinc/12/58/99/554125899.db2.gz DUVLSENMYJHNBC-UHFFFAOYSA-N 0 0 488.569 4.373 50 0 JIAARN O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 ZINC000002273547 554127961 /nfs/dbraw/zinc/12/79/61/554127961.db2.gz WMBQUHXELVGIMM-UHFFFAOYSA-N 0 0 452.422 4.404 50 0 biogenic JIAARN COc1ccc(OC)c(-n2c(N)c(C(=O)NCCc3ccccc3OC)c3nc4ccccc4nc32)c1 ZINC000002290206 554134601 /nfs/dbraw/zinc/13/46/01/554134601.db2.gz JQLCTCIFCCBUPK-UHFFFAOYSA-N 0 0 497.555 4.154 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3sc(C)c(C)c3c(=O)n1C)CCC2 ZINC000002311700 554143765 /nfs/dbraw/zinc/14/37/65/554143765.db2.gz DGUOHOWWRIZUPJ-UHFFFAOYSA-N 0 0 477.633 4.070 50 0 JIAARN CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)C[C@H](C(C)C)OC3 ZINC000002315451 554145488 /nfs/dbraw/zinc/14/54/88/554145488.db2.gz SDJXLEGTYOSPQQ-QGZVFWFLSA-N 0 0 498.630 4.156 50 0 JIAARN COc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1cc(OC)cc(OC)c1 ZINC000002334507 554153119 /nfs/dbraw/zinc/15/31/19/554153119.db2.gz SNBBRFUVMTZGCV-RUZDIDTESA-N 0 0 466.559 4.187 50 0 JIAARN COc1ccccc1CNC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002350141 554160997 /nfs/dbraw/zinc/16/09/97/554160997.db2.gz JZASRBLNJRCRBI-UHFFFAOYSA-N 0 0 483.528 4.112 50 0 JIAARN COc1ccc(CCn2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)cc1OC ZINC000002352686 554162481 /nfs/dbraw/zinc/16/24/81/554162481.db2.gz RDDPKXFJMRONNE-UHFFFAOYSA-N 0 0 473.577 4.489 50 0 JIAARN COc1cccc([C@H]2C3=C(N=c4s/c(=C\c5cccs5)c(=O)n42)c2ccccc2CC3)c1 ZINC000002373788 554172219 /nfs/dbraw/zinc/17/22/19/554172219.db2.gz ZTGNLOVLYZJQPL-FCKOQQNDSA-N 0 0 456.592 4.389 50 0 JIAARN O=c1/c(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)sc2nc(-c3ccc(F)cc3)nn12 ZINC000002374114 554172521 /nfs/dbraw/zinc/17/25/21/554172521.db2.gz JBHIYQMBNUZOMU-MRCUWXFGSA-N 0 0 488.931 4.075 50 0 JIAARN COC(=O)c1c(N[C@@](NC(=O)Cc2ccccc2)(C(=O)OC)C(F)(F)F)sc2c1CCCCC2 ZINC000002374056 554172576 /nfs/dbraw/zinc/17/25/76/554172576.db2.gz NBUFFNIRFBQALV-QFIPXVFZSA-N 0 0 498.523 4.006 50 0 JIAARN COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c1O ZINC000002377592 554174496 /nfs/dbraw/zinc/17/44/96/554174496.db2.gz DTYLLGHDKLUTBW-QKSFETHESA-N 0 0 466.562 4.033 50 0 JIAARN CCOC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 ZINC000002389047 554178768 /nfs/dbraw/zinc/17/87/68/554178768.db2.gz GKJFFUHXHNHRJG-OAHLLOKOSA-N 0 0 454.807 4.008 50 0 JIAARN Cc1ccccc1C(=O)OCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000002393116 554180150 /nfs/dbraw/zinc/18/01/50/554180150.db2.gz VDPMXZIVGBPTDW-UHFFFAOYSA-N 0 0 486.553 4.165 50 0 JIAARN COc1cc(-c2nc3s/c(=C\c4ccc(-c5cccc(Cl)c5)o4)c(=O)n3n2)cc(OC)c1OC ZINC000002396066 554182845 /nfs/dbraw/zinc/18/28/45/554182845.db2.gz ZZLUUZCXNSPSHH-NDENLUEZSA-N 0 0 495.944 4.305 50 0 JIAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c(C)c1 ZINC000002397082 554183310 /nfs/dbraw/zinc/18/33/10/554183310.db2.gz YXXIHDPWNICLEU-UHFFFAOYSA-N 0 0 478.643 4.454 50 0 JIAARN CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3 ZINC000002399458 554185002 /nfs/dbraw/zinc/18/50/02/554185002.db2.gz HPWPTGYTHUXBDZ-QFIPXVFZSA-N 0 0 483.586 4.341 50 0 JIAARN CCOC(=O)c1ccc(Oc2c(=O)c3ccc(OS(C)(=O)=O)cc3oc2C(F)(F)F)cc1 ZINC000002400945 554185834 /nfs/dbraw/zinc/18/58/34/554185834.db2.gz GJQMDESNCRSPSW-UHFFFAOYSA-N 0 0 472.393 4.119 50 0 JIAARN Nc1c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc2n1CCc1ccc(F)cc1 ZINC000002404214 554187434 /nfs/dbraw/zinc/18/74/34/554187434.db2.gz MZLCMTHLCMOZIT-UHFFFAOYSA-N 0 0 483.503 4.207 50 0 JIAARN O=c1/c(=C/c2cccc(O)c2)sc2n1[C@H](c1cccc(F)c1)C1=C(N=2)c2ccccc2CC1 ZINC000002405725 554188323 /nfs/dbraw/zinc/18/83/23/554188323.db2.gz LHBNDXFCQYNWTC-CBYYHRJHSA-N 0 0 454.526 4.163 50 0 JIAARN O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3)Nc1ccc2c(c1)OCO2 ZINC000002409416 554190931 /nfs/dbraw/zinc/19/09/31/554190931.db2.gz CDGZCLPYRGJINJ-UHFFFAOYSA-N 0 0 495.582 4.438 50 0 JIAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cccc(OC)c2OC)s1 ZINC000002410902 554191694 /nfs/dbraw/zinc/19/16/94/554191694.db2.gz DYMABKFBZMWXIQ-IBGZPJMESA-N 0 0 463.515 4.282 50 0 JIAARN C[C@@H]1CCC[C@H](N2C(=O)N[C@@](NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2=O)[C@@H]1C ZINC000002417210 554195948 /nfs/dbraw/zinc/19/59/48/554195948.db2.gz AFJQEJOCFVFBRV-CWLSSQECSA-N 0 0 465.394 4.070 50 0 JIAARN COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc(OC)c1OC ZINC000002426719 554201944 /nfs/dbraw/zinc/20/19/44/554201944.db2.gz XTNAPEZHWYXKMD-BTYIYWSLSA-N 0 0 485.920 4.196 50 0 JIAARN COc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000002439747 554209188 /nfs/dbraw/zinc/20/91/88/554209188.db2.gz ICSHLXOIOCNYGL-UHFFFAOYSA-N 0 0 494.598 4.430 50 0 JIAARN O=C(NCCCn1ccnc1)c1nn2c(nc3c(c2C(F)(F)F)CCc2ccccc2-3)c1Cl ZINC000002440705 554209574 /nfs/dbraw/zinc/20/95/74/554209574.db2.gz BKXJIHFSBJDCHT-UHFFFAOYSA-N 0 0 474.874 4.184 50 0 JIAARN COCCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccc(F)cc1 ZINC000002441575 554210054 /nfs/dbraw/zinc/21/00/54/554210054.db2.gz LFUHPNDMDSDNHW-HXUWFJFHSA-N 0 0 454.527 4.188 50 0 JIAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(OC)c(OC)c3)nnc2-c2ccccn2)cc1 ZINC000002441666 554210085 /nfs/dbraw/zinc/21/00/85/554210085.db2.gz JRCWFHUEQLNRBU-UHFFFAOYSA-N 0 0 477.546 4.086 50 0 JIAARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000002446591 554213959 /nfs/dbraw/zinc/21/39/59/554213959.db2.gz USLXYLBZAWHKFL-XITLKHQFSA-N 0 0 490.774 4.386 50 0 JIAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3OC)nnc2-c2ccco2)cc1 ZINC000002449487 554216699 /nfs/dbraw/zinc/21/66/99/554216699.db2.gz RCPBHNGXTARQIQ-UHFFFAOYSA-N 0 0 466.519 4.284 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(OC)cc2)cc1 ZINC000002453625 554220620 /nfs/dbraw/zinc/22/06/20/554220620.db2.gz CLECQJKLUIGMCH-UHFFFAOYSA-N 0 0 464.503 4.053 50 0 JIAARN O=C([C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12)N1CCN(c2ccc(F)cc2)CC1 ZINC000002466645 554224184 /nfs/dbraw/zinc/22/41/84/554224184.db2.gz VMHSNSXFSWSPNX-IZZNHLLZSA-N 0 0 455.533 4.011 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CSC3)cc1 ZINC000002476126 554225465 /nfs/dbraw/zinc/22/54/65/554225465.db2.gz CUEYVSOGKBSQDW-UHFFFAOYSA-N 0 0 470.620 4.210 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000002494214 554227882 /nfs/dbraw/zinc/22/78/82/554227882.db2.gz XSKDFNVFIHBGSJ-UHFFFAOYSA-N 0 0 482.949 4.463 50 0 JIAARN O=C(NC1CCCCCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000002498876 554229373 /nfs/dbraw/zinc/22/93/73/554229373.db2.gz ZHNZFXKVKGGPAV-QGZVFWFLSA-N 0 0 485.469 4.239 50 0 JIAARN NC(=O)c1c(N[C@@H](NC(=O)COc2ccccc2)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000002507767 554230963 /nfs/dbraw/zinc/23/09/63/554230963.db2.gz PFOCISYMKJQBBA-GOSISDBHSA-N 0 0 476.813 4.029 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000002571695 554236730 /nfs/dbraw/zinc/23/67/30/554236730.db2.gz HIAZNDOOINJJCF-ITCVXPJASA-N 0 0 482.964 4.256 50 0 JIAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000002619418 554244140 /nfs/dbraw/zinc/24/41/40/554244140.db2.gz SYTUXJZWJGQJSE-UHFFFAOYSA-N 0 0 462.886 4.285 50 0 JIAARN COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)n2)c1 ZINC000002623568 554247727 /nfs/dbraw/zinc/24/77/27/554247727.db2.gz DQZGCXIKYYLXOM-UHFFFAOYSA-N 0 0 487.603 4.254 50 0 JIAARN COc1ccccc1N(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002628439 554251560 /nfs/dbraw/zinc/25/15/60/554251560.db2.gz CZZVZMSIUFYAFV-UHFFFAOYSA-N 0 0 456.951 4.133 50 0 JIAARN O=C(Nc1nnc(Cc2ccccc2)s1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000002632095 554253796 /nfs/dbraw/zinc/25/37/96/554253796.db2.gz KRZDKMMRBZYVMA-UHFFFAOYSA-N 0 0 453.527 4.139 50 0 JIAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000002633763 554254691 /nfs/dbraw/zinc/25/46/91/554254691.db2.gz AWHGGRQAZZTDTA-UHFFFAOYSA-N 0 0 453.420 4.140 50 0 JIAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)O[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)cc12 ZINC000002633980 554255007 /nfs/dbraw/zinc/25/50/07/554255007.db2.gz INASXXKNUQQGNJ-AWEZNQCLSA-N 0 0 481.505 4.125 50 0 JIAARN CCCc1nc2ccccc2c(C(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)c1CC ZINC000002640250 554259719 /nfs/dbraw/zinc/25/97/19/554259719.db2.gz WQAOSEQTOIUTSX-UHFFFAOYSA-N 0 0 470.472 4.465 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)c1C ZINC000002640972 554260327 /nfs/dbraw/zinc/26/03/27/554260327.db2.gz SKZRVYBBHDIKAB-IBGZPJMESA-N 0 0 494.544 4.106 50 0 JIAARN COc1ccc(OC)c(-n2c(SCC(=O)c3ccc(OC)c(OC)c3)nc3ccccc3c2=O)c1 ZINC000002645842 554263566 /nfs/dbraw/zinc/26/35/66/554263566.db2.gz XEMVPXRCOISWBV-UHFFFAOYSA-N 0 0 492.553 4.395 50 0 JIAARN CC[C@@H](c1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)n1Cc1ccccc1)N(C)C ZINC000002649787 554265855 /nfs/dbraw/zinc/26/58/55/554265855.db2.gz AHNYPWSPSXXGBU-NRFANRHFSA-N 0 0 451.596 4.273 50 0 JIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(C)n1-c1ccccc1 ZINC000002656516 554271776 /nfs/dbraw/zinc/27/17/76/554271776.db2.gz BJSKNVJPSABWEW-UHFFFAOYSA-N 0 0 458.565 4.056 50 0 JIAARN COc1ccc(-n2c(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)nnc2-c2cccnc2)cc1 ZINC000002656939 554271982 /nfs/dbraw/zinc/27/19/82/554271982.db2.gz SLFTUEQEUWMQOD-UHFFFAOYSA-N 0 0 461.547 4.460 50 0 JIAARN COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(OC)cc3OC)c3ccc(F)cc3c2=O)cc1 ZINC000002689851 554285174 /nfs/dbraw/zinc/28/51/74/554285174.db2.gz MCLZEKDVWUAQEW-UHFFFAOYSA-N 0 0 490.487 4.036 50 0 JIAARN CCc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3ccccc32)cc1 ZINC000002691424 554287010 /nfs/dbraw/zinc/28/70/10/554287010.db2.gz DCVAALZCIQOSQF-UHFFFAOYSA-N 0 0 464.518 4.175 50 0 JIAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(C)cc1 ZINC000002691416 554287136 /nfs/dbraw/zinc/28/71/36/554287136.db2.gz NZHGBVCJSOTZCR-UHFFFAOYSA-N 0 0 494.544 4.319 50 0 JIAARN COc1ccc(CNc2nc3c(S(=O)(=O)c4cc(C)ccc4C)nnn3c3ccccc32)cc1 ZINC000002691543 554287414 /nfs/dbraw/zinc/28/74/14/554287414.db2.gz DGEKVHMSBRUFBQ-UHFFFAOYSA-N 0 0 473.558 4.348 50 0 JIAARN Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c(C)c1 ZINC000002691735 554287654 /nfs/dbraw/zinc/28/76/54/554287654.db2.gz KFVWZAITOBHKRV-UHFFFAOYSA-N 0 0 482.508 4.368 50 0 JIAARN COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCN(Cc4ccccc4)CC3)c2c1 ZINC000002694053 554291594 /nfs/dbraw/zinc/29/15/94/554291594.db2.gz NNCRHLSPNKLMRE-UHFFFAOYSA-N 0 0 473.598 4.398 50 0 JIAARN COc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3cc(OC)c(OC)cc32)cc1 ZINC000002715781 554301073 /nfs/dbraw/zinc/30/10/73/554301073.db2.gz WFAFZBGUQPKVQO-UHFFFAOYSA-N 0 0 463.511 4.324 50 0 JIAARN O=C(COc1cccc2c1CCN(Cc1ccc(Cl)cc1)C2=O)Nc1ccc2c(c1)OCO2 ZINC000002716467 554301899 /nfs/dbraw/zinc/30/18/99/554301899.db2.gz QDPZCTMDDPAISR-UHFFFAOYSA-N 0 0 464.905 4.285 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(Cl)cc2)SCC3)cc1 ZINC000002719984 554305122 /nfs/dbraw/zinc/30/51/22/554305122.db2.gz BQCZUWBHNCKYAN-UHFFFAOYSA-N 0 0 459.980 4.274 50 0 JIAARN COc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3c4ccccc4[nH]c3c2=O)cc1 ZINC000002720787 554306362 /nfs/dbraw/zinc/30/63/62/554306362.db2.gz HAOZJZCPTIIYSM-UHFFFAOYSA-N 0 0 484.581 4.327 50 0 JIAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2C2CC2)cc1 ZINC000002729320 554313780 /nfs/dbraw/zinc/31/37/80/554313780.db2.gz 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ZINC000008824799 554712119 /nfs/dbraw/zinc/71/21/19/554712119.db2.gz VXNWKHFKXIODBN-AREJXAQWSA-N 0 0 498.626 4.433 50 0 JIAARN O=C(CSc1ncnc2c3ccccc3oc21)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000008825692 554714340 /nfs/dbraw/zinc/71/43/40/554714340.db2.gz XRZHFFAKEXAXQW-UHFFFAOYSA-N 0 0 470.308 4.039 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)nc1 ZINC000008826455 554716299 /nfs/dbraw/zinc/71/62/99/554716299.db2.gz NBEYPBAZSORJRY-HXUWFJFHSA-N 0 0 485.656 4.304 50 0 JIAARN Cc1ccc(-c2nnc(NC3CCCCC3)c3ccccc32)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000008829116 554719465 /nfs/dbraw/zinc/71/94/65/554719465.db2.gz NKZYFXVHBPRNDO-UHFFFAOYSA-N 0 0 479.650 4.286 50 0 JIAARN O=C(/C=C/c1ccccc1)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000008833994 554731480 /nfs/dbraw/zinc/73/14/80/554731480.db2.gz LYTBZGAJDUHEJQ-LEJURUINSA-N 0 0 457.526 4.452 50 0 biogenic JIAARN COc1cc(Br)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc1OC ZINC000008843641 554741005 /nfs/dbraw/zinc/74/10/05/554741005.db2.gz XAZWZFBYOBICFG-HXUWFJFHSA-N 0 0 474.355 4.350 50 0 JIAARN COCCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1ccc(O)c(OC)c1 ZINC000008845401 554742616 /nfs/dbraw/zinc/74/26/16/554742616.db2.gz VXWQEDLKARNINE-JOCHJYFZSA-N 0 0 457.914 4.040 50 0 JIAARN Cc1c(NC(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n32)c(=O)n(-c2ccccc2)n1C ZINC000008845899 554744170 /nfs/dbraw/zinc/74/41/70/554744170.db2.gz STUSYTIHDVMDOM-UHFFFAOYSA-N 0 0 486.601 4.336 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 ZINC000008848812 554746401 /nfs/dbraw/zinc/74/64/01/554746401.db2.gz HYSWXKQZJAPJQS-QGZVFWFLSA-N 0 0 485.606 4.392 50 0 JIAARN CCCCn1nc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c2ccccc2c1=O ZINC000008850751 554747938 /nfs/dbraw/zinc/74/79/38/554747938.db2.gz AOLNETFGFRODAD-UHFFFAOYSA-N 0 0 482.606 4.014 50 0 JIAARN COc1ccc(CCNC(=O)Cc2csc(SCC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000008852838 554749135 /nfs/dbraw/zinc/74/91/35/554749135.db2.gz RTLUABGGGJILLZ-UHFFFAOYSA-N 0 0 455.605 4.092 50 0 JIAARN C[C@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc2c(c1)CCCC2 ZINC000008855990 554751879 /nfs/dbraw/zinc/75/18/79/554751879.db2.gz ABVWSMOUJZKLRR-INIZCTEOSA-N 0 0 459.575 4.369 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)c2cccc(Cl)c2)cc1 ZINC000008857539 554754125 /nfs/dbraw/zinc/75/41/25/554754125.db2.gz RLUGQRUVTCXWLD-UHFFFAOYSA-N 0 0 484.021 4.193 50 0 JIAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCCc2ccc(OC)c(OC)c2)c1C ZINC000008860365 554757025 /nfs/dbraw/zinc/75/70/25/554757025.db2.gz RPRWICKBXCYPBA-UHFFFAOYSA-N 0 0 464.562 4.406 50 0 JIAARN COc1ccc2[nH]c(SCC(=O)Nc3nc(-c4cc(OC)ccc4OC)cs3)nc2c1 ZINC000008860820 554757318 /nfs/dbraw/zinc/75/73/18/554757318.db2.gz SYNSHKSMJCRFNK-UHFFFAOYSA-N 0 0 456.549 4.443 50 0 JIAARN CCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)nnc1-c1ccco1 ZINC000008862007 554759494 /nfs/dbraw/zinc/75/94/94/554759494.db2.gz DVYSKHBPSMYKMJ-UHFFFAOYSA-N 0 0 497.602 4.114 50 0 JIAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000008862028 554759501 /nfs/dbraw/zinc/75/95/01/554759501.db2.gz ZGZWJTQMOSGVOS-XMMPIXPASA-N 0 0 486.494 4.028 50 0 JIAARN CC[C@@H](N1C(=O)N[C@](NC(=O)c2ccc(OC)cc2)(C(F)(F)F)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000008868517 554762148 /nfs/dbraw/zinc/76/21/48/554762148.db2.gz FCNWCWMJZWPSSC-VZMLBKMISA-N 0 0 493.526 4.230 50 0 JIAARN CCOc1c(Cl)cc(C(=O)N(Cc2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000008869240 554763013 /nfs/dbraw/zinc/76/30/13/554763013.db2.gz XVGLEWCVFBVHTR-MRXNPFEDSA-N 0 0 472.390 4.230 50 0 JIAARN Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000008869702 554763557 /nfs/dbraw/zinc/76/35/57/554763557.db2.gz NWQSRXHMIVMHHG-OAQYLSRUSA-N 0 0 457.979 4.396 50 0 JIAARN Cc1nc(-c2cccnc2)sc1-c1ccc(SCC(=O)Nc2ccc3c(c2)OCCO3)nn1 ZINC000008875957 554771272 /nfs/dbraw/zinc/77/12/72/554771272.db2.gz ZBVYVPSFOFRAGX-UHFFFAOYSA-N 0 0 477.571 4.473 50 0 JIAARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000008879291 554774950 /nfs/dbraw/zinc/77/49/50/554774950.db2.gz QFPIHMYLMUULPP-GFCCVEGCSA-N 0 0 460.280 4.267 50 0 JIAARN CC(C)[C@@H](NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000008881151 554776209 /nfs/dbraw/zinc/77/62/09/554776209.db2.gz GLYDACRMUKQJMM-AREMUKBSSA-N 0 0 465.594 4.012 50 0 JIAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)c4cc(C)n(-c5cc(C)on5)c4C)C3=O)ccc2c1 ZINC000008891180 554780182 /nfs/dbraw/zinc/78/01/82/554780182.db2.gz UGLAJXMSHSZPJY-HHHXNRCGSA-N 0 0 486.528 4.202 50 0 JIAARN Cc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)n1 ZINC000008899747 554791029 /nfs/dbraw/zinc/79/10/29/554791029.db2.gz LNBUPUCSMXJTSM-SFHVURJKSA-N 0 0 492.584 4.375 50 0 JIAARN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(Br)cc2)CC1 ZINC000008904467 554798695 /nfs/dbraw/zinc/79/86/95/554798695.db2.gz DHZVEUJRRHTCKG-UHFFFAOYSA-N 0 0 494.817 4.425 50 0 JIAARN O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008911537 554800551 /nfs/dbraw/zinc/80/05/51/554800551.db2.gz OFMFSQLILIOSSN-UHFFFAOYSA-N 0 0 487.991 4.485 50 0 JIAARN COc1ccc(OC)c(CCNC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)c1 ZINC000008912203 554802084 /nfs/dbraw/zinc/80/20/84/554802084.db2.gz LQEWHBLSPRJRLO-UHFFFAOYSA-N 0 0 476.602 4.272 50 0 JIAARN COc1ccc(CCN(C(=S)Nc2ccccc2)[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000008916082 554810257 /nfs/dbraw/zinc/81/02/57/554810257.db2.gz BNYXENHHFNFCBR-QFIPXVFZSA-N 0 0 489.597 4.277 50 0 JIAARN CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)cc(=O)c2c1 ZINC000008917630 554813019 /nfs/dbraw/zinc/81/30/19/554813019.db2.gz DGFIOTBVXZFFBA-UHFFFAOYSA-N 0 0 476.554 4.428 50 0 JIAARN Cc1sc2ncn(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)c(=O)c2c1-c1ccccc1 ZINC000008919999 554816650 /nfs/dbraw/zinc/81/66/50/554816650.db2.gz MTECKBZANHIRCC-UHFFFAOYSA-N 0 0 478.599 4.111 50 0 JIAARN CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(F)cc3)o2)cc1 ZINC000008921994 554818915 /nfs/dbraw/zinc/81/89/15/554818915.db2.gz ACDFIDRNGQHKJG-UHFFFAOYSA-N 0 0 486.569 4.395 50 0 JIAARN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)cc2)cc1 ZINC000008924041 554821347 /nfs/dbraw/zinc/82/13/47/554821347.db2.gz YWOOIKVUZQCTPU-NRFANRHFSA-N 0 0 463.530 4.121 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CN1c2ccccc2S(=O)(=O)[C@H](c2ccccc2)CC1=O ZINC000008931864 554826067 /nfs/dbraw/zinc/82/60/67/554826067.db2.gz HKNXSZZILIBGSB-QFIPXVFZSA-N 0 0 484.961 4.239 50 0 JIAARN CN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)C1CCCCC1 ZINC000008935755 554830030 /nfs/dbraw/zinc/83/00/30/554830030.db2.gz FWQSIXWPRZJXSH-KRWDZBQOSA-N 0 0 475.680 4.399 50 0 JIAARN CSc1nc2c(cnn2CCNC(=O)c2c(C)onc2-c2ccccc2Cl)c(NC(C)C)n1 ZINC000008941905 554832018 /nfs/dbraw/zinc/83/20/18/554832018.db2.gz XNAUKWWZOGHFQD-UHFFFAOYSA-N 0 0 486.001 4.415 50 0 JIAARN CN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl ZINC000008945335 554833196 /nfs/dbraw/zinc/83/31/96/554833196.db2.gz OQFPYKOIPQOLSP-UHFFFAOYSA-N 0 0 459.376 4.399 50 0 JIAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)N[C@@H](C)CCc3ccccc3)C(C)(C)S[C@@H]21 ZINC000008952583 554836220 /nfs/dbraw/zinc/83/62/20/554836220.db2.gz ISSRXLYHJKAISM-HXKVFGNASA-N 0 0 454.592 4.190 50 0 biogenic JIAARN CC(=O)Nc1ccc(Nc2nc3c(S(=O)(=O)c4cc(C)ccc4C)nnn3c3ccccc23)cc1 ZINC000008954815 554836568 /nfs/dbraw/zinc/83/65/68/554836568.db2.gz JPGDQXRFIADXEE-UHFFFAOYSA-N 0 0 486.557 4.429 50 0 JIAARN COc1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)c3sc(C)nc3c2=O)cc1OC ZINC000008955238 554836797 /nfs/dbraw/zinc/83/67/97/554836797.db2.gz AFGMDIGQIFLTQA-UHFFFAOYSA-N 0 0 470.938 4.138 50 0 JIAARN CC(C)OC(=S)SCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000008964559 554838565 /nfs/dbraw/zinc/83/85/65/554838565.db2.gz YRFRIBDYZIIIDT-SUUHJWNJSA-N 0 0 480.692 4.232 50 0 biogenic JIAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000008965321 554839715 /nfs/dbraw/zinc/83/97/15/554839715.db2.gz MDATXWIBOJFBOB-UHFFFAOYSA-N 0 0 487.579 4.072 50 0 JIAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)C1=O ZINC000008965574 554840339 /nfs/dbraw/zinc/84/03/39/554840339.db2.gz UHEQXBQJWPGOKI-AJTFRIOCSA-N 0 0 473.504 4.150 50 0 JIAARN Cc1cccn2c(=O)cc(CSc3nnc(COc4ccccc4Cl)n3C3CC3)nc12 ZINC000008966048 554841647 /nfs/dbraw/zinc/84/16/47/554841647.db2.gz OJUWKNRWHJJOJQ-UHFFFAOYSA-N 0 0 453.955 4.454 50 0 JIAARN COCCCn1c(SCC(=O)N[C@H](Cc2ccccc2)C(C)=O)nnc1-c1ccccc1Cl ZINC000008989467 554851127 /nfs/dbraw/zinc/85/11/27/554851127.db2.gz LLTUPSXCHMPHMF-OAQYLSRUSA-N 0 0 487.025 4.044 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000009054546 554873886 /nfs/dbraw/zinc/87/38/86/554873886.db2.gz QXAHSMIDRDSYOC-GOSISDBHSA-N 0 0 485.610 4.307 50 0 JIAARN COc1cccc([C@]2(C)NC(=O)N(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)C2=O)c1 ZINC000009056437 554874729 /nfs/dbraw/zinc/87/47/29/554874729.db2.gz GSYFORFVPKOZRA-OFVILXPXSA-N 0 0 461.543 4.027 50 0 JIAARN COc1cccc([C@]2(C)NC(=O)N(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)C2=O)c1 ZINC000009056434 554874736 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O=C(Nc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000009434307 555205387 /nfs/dbraw/zinc/20/53/87/555205387.db2.gz UBVRQUPJQNRAGX-UHFFFAOYSA-N 0 0 491.947 4.381 50 0 JIAARN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccccc2OC(F)F)NC(=S)N1 ZINC000009441134 555211852 /nfs/dbraw/zinc/21/18/52/555211852.db2.gz CTJZFJHSQSNSDM-INIZCTEOSA-N 0 0 468.323 4.482 50 0 JIAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cn3)cc2C1=O ZINC000009441847 555212801 /nfs/dbraw/zinc/21/28/01/555212801.db2.gz DFHMOMHBMZSDPB-CQSZACIVSA-N 0 0 463.877 4.028 50 0 JIAARN Cn1c(S[C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)nnc1-c1ccccc1 ZINC000009442009 555213296 /nfs/dbraw/zinc/21/32/96/555213296.db2.gz PPJYMFDGDVDOIH-NRFANRHFSA-N 0 0 450.589 4.294 50 0 JIAARN O=C(CCC(=O)OCC(=O)c1ccc(F)cc1)Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 ZINC000009445880 555218642 /nfs/dbraw/zinc/21/86/42/555218642.db2.gz WNNDCSJRYJZHOQ-UHFFFAOYSA-N 0 0 491.471 4.010 50 0 JIAARN C[C@H](NC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000009446845 555220076 /nfs/dbraw/zinc/22/00/76/555220076.db2.gz SZNVOZSCUARRRU-CPJSRVTESA-N 0 0 491.632 4.464 50 0 JIAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000009447127 555220104 /nfs/dbraw/zinc/22/01/04/555220104.db2.gz PXYGYHDFWJJMDG-DEOSSOPVSA-N 0 0 468.557 4.055 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSCCOc2c(C)cccc2C)cc1 ZINC000009449472 555222380 /nfs/dbraw/zinc/22/23/80/555222380.db2.gz IQYFRECJDVCCKC-UHFFFAOYSA-N 0 0 450.626 4.085 50 0 JIAARN Cc1cc(-c2nnc(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)n2N)n[nH]1 ZINC000009450814 555223235 /nfs/dbraw/zinc/22/32/35/555223235.db2.gz JBHOXCKGNKUYMT-UHFFFAOYSA-N 0 0 469.983 4.265 50 0 JIAARN COCCCn1c(C)cc(C(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ccc(Cl)cc32)c1C ZINC000009451171 555223652 /nfs/dbraw/zinc/22/36/52/555223652.db2.gz MRAGBUFRYKEBCV-UHFFFAOYSA-N 0 0 493.991 4.203 50 0 JIAARN CSCC[C@H](NC(=O)c1ccccc1C)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000009451420 555223867 /nfs/dbraw/zinc/22/38/67/555223867.db2.gz MAFFTVKJNPGOHO-VXKWHMMOSA-N 0 0 468.619 4.372 50 0 JIAARN O=C(C1CCC(Cn2cnc3ccccc3c2=O)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009452116 555224334 /nfs/dbraw/zinc/22/43/34/555224334.db2.gz YLOMWRCQPLJGGS-UHFFFAOYSA-N 0 0 464.997 4.205 50 0 JIAARN CCCn1nc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3OC)n2)c2ccccc2c1=O ZINC000009452096 555224397 /nfs/dbraw/zinc/22/43/97/555224397.db2.gz COKCDBCWVLTPDY-UHFFFAOYSA-N 0 0 492.557 4.313 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000009455061 555225708 /nfs/dbraw/zinc/22/57/08/555225708.db2.gz CBRHZEKTPMELAZ-OAHLLOKOSA-N 0 0 451.386 4.033 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(=O)Nc3ccc(C(C)C)cc3)C(C)C)CC2)cc1 ZINC000009457814 555226675 /nfs/dbraw/zinc/22/66/75/555226675.db2.gz WVEXSYLTFABTOY-VWLOTQADSA-N 0 0 499.677 4.299 50 0 JIAARN CC(=O)N/C(=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)Nc1ccc(C)cc1 ZINC000009462352 555231193 /nfs/dbraw/zinc/23/11/93/555231193.db2.gz ZNVNAEWSLSQAHJ-LFVJCYFKSA-N 0 0 464.543 4.187 50 0 JIAARN COc1ccc(OCCCOc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)cc1 ZINC000009463297 555233394 /nfs/dbraw/zinc/23/33/94/555233394.db2.gz DCTVNWDGDOXFRD-ULJHMMPZSA-N 0 0 458.539 4.313 50 0 JIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)CCOc1cc(C)ccc1C ZINC000009463931 555234990 /nfs/dbraw/zinc/23/49/90/555234990.db2.gz LYNZZFANCOGPEP-UHFFFAOYSA-N 0 0 461.536 4.003 50 0 JIAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000009464908 555238190 /nfs/dbraw/zinc/23/81/90/555238190.db2.gz OSZICTFIEGXYMK-UHFFFAOYSA-N 0 0 470.541 4.020 50 0 JIAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1=O ZINC000009466248 555242002 /nfs/dbraw/zinc/24/20/02/555242002.db2.gz RDPPUAUFHWXYGH-HHHXNRCGSA-N 0 0 465.569 4.430 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000009467527 555244786 /nfs/dbraw/zinc/24/47/86/555244786.db2.gz UDULSQYZZKVQKU-UHFFFAOYSA-N 0 0 457.379 4.358 50 0 JIAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009467589 555244957 /nfs/dbraw/zinc/24/49/57/555244957.db2.gz ONBBXZVBYOTDFV-HNNXBMFYSA-N 0 0 488.949 4.318 50 0 JIAARN Cc1nc2cc(C(=O)OCc3cc(=O)n4cc(Br)ccc4n3)ccc2n1-c1ccccc1 ZINC000009467979 555246505 /nfs/dbraw/zinc/24/65/05/555246505.db2.gz NZDFGBXMYHQHSQ-UHFFFAOYSA-N 0 0 489.329 4.461 50 0 JIAARN COc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000009467990 555246581 /nfs/dbraw/zinc/24/65/81/555246581.db2.gz MBFXVVITIMABIP-UHFFFAOYSA-N 0 0 493.629 4.153 50 0 JIAARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000009468083 555246987 /nfs/dbraw/zinc/24/69/87/555246987.db2.gz REYWQMAGGQJILG-QHCPKHFHSA-N 0 0 457.530 4.486 50 0 JIAARN Cc1ccn2c(c1)nc(-c1cccs1)c2NC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000009468564 555248449 /nfs/dbraw/zinc/24/84/49/555248449.db2.gz IRXJNYGSDPMDBP-SANMLTNESA-N 0 0 487.585 4.253 50 0 JIAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)Nc4ccc(N5CCCCC5)cc4)C3=O)ccc2c1 ZINC000009469193 555250740 /nfs/dbraw/zinc/25/07/40/555250740.db2.gz NOCFWGAGDDUAAO-MUUNZHRXSA-N 0 0 486.572 4.244 50 0 JIAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 ZINC000009469434 555251648 /nfs/dbraw/zinc/25/16/48/555251648.db2.gz KHKOSVXZRMBVOW-UHFFFAOYSA-N 0 0 476.533 4.499 50 0 JIAARN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1)c1cc2ccccc2o1 ZINC000009469663 555252237 /nfs/dbraw/zinc/25/22/37/555252237.db2.gz NQKXEQJUZNNFNB-HNNXBMFYSA-N 0 0 469.950 4.451 50 0 JIAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000009469862 555253128 /nfs/dbraw/zinc/25/31/28/555253128.db2.gz OIGORTFRYFRDJJ-UHFFFAOYSA-N 0 0 470.554 4.472 50 0 JIAARN CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC[C@H]3C)c2)cc1 ZINC000009469875 555253188 /nfs/dbraw/zinc/25/31/88/555253188.db2.gz HYMJEGSOCPOBDZ-GOSISDBHSA-N 0 0 459.612 4.357 50 0 JIAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1COc2ccccc2O1 ZINC000009472862 555255696 /nfs/dbraw/zinc/25/56/96/555255696.db2.gz BAJIUDZUEBZCRS-MOPGFXCFSA-N 0 0 479.602 4.120 50 0 JIAARN CCCCn1c(SCC(=O)N(CC)Cc2ccccc2)nc2ccc(N3CCOCC3)cc2c1=O ZINC000009473749 555256357 /nfs/dbraw/zinc/25/63/57/555256357.db2.gz GKRSOMQOQZMVFX-UHFFFAOYSA-N 0 0 494.661 4.174 50 0 JIAARN CC[C@H](Sc1nc2ccsc2c(=O)n1Cc1ccccn1)C(=O)Nc1cccc(OC)c1 ZINC000009474814 555256761 /nfs/dbraw/zinc/25/67/61/555256761.db2.gz UMNUDLNNLKKKKV-IBGZPJMESA-N 0 0 466.588 4.419 50 0 JIAARN CCOC(=O)c1sc2nc3n(c(=O)c2c1C)N=C(c1cc2cc(Cl)ccc2oc1=O)CS3 ZINC000009475150 555257486 /nfs/dbraw/zinc/25/74/86/555257486.db2.gz YFURGCVDRQWVQP-UHFFFAOYSA-N 0 0 487.946 4.061 50 0 JIAARN O=S(=O)(c1nc(-c2ccco2)oc1NCCCn1ccnc1)c1ccc(Br)cc1 ZINC000009480691 555260861 /nfs/dbraw/zinc/26/08/61/555260861.db2.gz LVXXDDCUAXRJAK-UHFFFAOYSA-N 0 0 477.340 4.229 50 0 JIAARN CN(c1ccc(OCC(=O)Nc2cccc3ncccc32)cc1)S(=O)(=O)c1cccs1 ZINC000009481736 555261314 /nfs/dbraw/zinc/26/13/14/555261314.db2.gz VVNIXSAHLWLQLN-UHFFFAOYSA-N 0 0 453.545 4.139 50 0 JIAARN C[C@H](NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 ZINC000009489327 555264115 /nfs/dbraw/zinc/26/41/15/555264115.db2.gz GSKYMICLYAXHFL-ROUUACIJSA-N 0 0 483.565 4.110 50 0 JIAARN O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)C[S@]2=O ZINC000009490464 555266046 /nfs/dbraw/zinc/26/60/46/555266046.db2.gz BDABHHDVAOWEGR-HKBQPEDESA-N 0 0 456.926 4.064 50 0 JIAARN COc1ccc(C2=NN(C(=O)COc3ncnc4c3cnn4-c3ccccc3)[C@@H](c3ccco3)C2)cc1 ZINC000009490912 555267060 /nfs/dbraw/zinc/26/70/60/555267060.db2.gz UWWCFVLSECULPT-HSZRJFAPSA-N 0 0 494.511 4.174 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2cc(C)ccc2OC)c1 ZINC000009491450 555268911 /nfs/dbraw/zinc/26/89/11/555268911.db2.gz ZYSHAUUZUVZWTJ-UHFFFAOYSA-N 0 0 459.612 4.277 50 0 JIAARN COc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1 ZINC000009492808 555273454 /nfs/dbraw/zinc/27/34/54/555273454.db2.gz OWXUTMZQNJCJIS-UHFFFAOYSA-N 0 0 455.580 4.313 50 0 JIAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)O[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000009493258 555274750 /nfs/dbraw/zinc/27/47/50/555274750.db2.gz KGARETHMOCJZCQ-SFHVURJKSA-N 0 0 498.535 4.016 50 0 JIAARN CCOc1ccc(-c2nc(COC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)cs2)cc1 ZINC000009493439 555275480 /nfs/dbraw/zinc/27/54/80/555275480.db2.gz MSMUDDACWKITHI-UHFFFAOYSA-N 0 0 480.995 4.226 50 0 JIAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Br)c(Cl)c1)c1ccccc1Br ZINC000009493460 555275484 /nfs/dbraw/zinc/27/54/84/555275484.db2.gz GUVPMRQIPXUZCI-UHFFFAOYSA-N 0 0 496.608 4.270 50 0 JIAARN C[C@@H]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c2C(N)=O)C1 ZINC000009495074 555279593 /nfs/dbraw/zinc/27/95/93/555279593.db2.gz IIDZYKMEKDSANX-OAHLLOKOSA-N 0 0 483.615 4.049 50 0 JIAARN COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1cc(Cl)c(O)c(OC)c1 ZINC000009498071 555282540 /nfs/dbraw/zinc/28/25/40/555282540.db2.gz NNWVFEXVTSEVNY-UHFFFAOYSA-N 0 0 478.328 4.421 50 0 JIAARN COc1ccc(CCNC(=O)c2sc3nc(C)nc(N4CCCCC4)c3c2C)cc1OC ZINC000009499576 555284302 /nfs/dbraw/zinc/28/43/02/555284302.db2.gz OQURFDCUILMAIQ-UHFFFAOYSA-N 0 0 454.596 4.288 50 0 JIAARN Cc1sc2nc(CSc3ccccc3)nc(N3CCN(C(=O)N4CCOCC4)CC3)c2c1C ZINC000009503904 555289118 /nfs/dbraw/zinc/28/91/18/555289118.db2.gz MSLAFMKKULOYCO-UHFFFAOYSA-N 0 0 483.663 4.175 50 0 JIAARN CSc1nc2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2s1 ZINC000009504731 555289603 /nfs/dbraw/zinc/28/96/03/555289603.db2.gz GKKLOSDVFRHCPB-UHFFFAOYSA-N 0 0 453.636 4.119 50 0 JIAARN O=C(COc1ccccc1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F ZINC000009507408 555291763 /nfs/dbraw/zinc/29/17/63/555291763.db2.gz YXPABQFXYGIYMG-UHFFFAOYSA-N 0 0 486.512 4.210 50 0 JIAARN CCOc1ccc(CN(C)C(=O)CSc2nc3ccc(Br)cc3c(=O)n2CC)cc1 ZINC000009507464 555292063 /nfs/dbraw/zinc/29/20/63/555292063.db2.gz CLKINNMMFUZXDC-UHFFFAOYSA-N 0 0 490.423 4.328 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000009509190 555296498 /nfs/dbraw/zinc/29/64/98/555296498.db2.gz NTVRGWRNVJGJCP-UHFFFAOYSA-N 0 0 456.467 4.014 50 0 JIAARN CN(C)S(=O)(=O)c1cccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 ZINC000009509725 555297889 /nfs/dbraw/zinc/29/78/89/555297889.db2.gz NPCDJNLZOQEBNH-QFIPXVFZSA-N 0 0 485.993 4.090 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000009511926 555301095 /nfs/dbraw/zinc/30/10/95/555301095.db2.gz XAMDZFAYRPXNTH-UHFFFAOYSA-N 0 0 460.577 4.222 50 0 JIAARN Cc1cc(C)n2nc(SCC(=O)N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccco3)nc2n1 ZINC000009511253 555301115 /nfs/dbraw/zinc/30/11/15/555301115.db2.gz WAWOKBAQBVYYRI-GOSISDBHSA-N 0 0 466.954 4.458 50 0 JIAARN O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000009514317 555304842 /nfs/dbraw/zinc/30/48/42/555304842.db2.gz PXEGDZAHEGDVKD-NOZRDPDXSA-N 0 0 486.959 4.190 50 0 JIAARN CC[C@@H](C)N(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009515718 555307013 /nfs/dbraw/zinc/30/70/13/555307013.db2.gz CEGQBRZYVJKYIE-HXUWFJFHSA-N 0 0 486.634 4.076 50 0 JIAARN CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000009516758 555308804 /nfs/dbraw/zinc/30/88/04/555308804.db2.gz KAHDDAMWGNHIIU-OAHLLOKOSA-N 0 0 490.676 4.103 50 0 JIAARN CCOc1ccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccco2)cc1 ZINC000009517128 555309321 /nfs/dbraw/zinc/30/93/21/555309321.db2.gz DEBBYKOWHJJVBI-OAQYLSRUSA-N 0 0 453.520 4.041 50 0 JIAARN CCOc1ccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccco2)cc1 ZINC000009517127 555309369 /nfs/dbraw/zinc/30/93/69/555309369.db2.gz DEBBYKOWHJJVBI-NRFANRHFSA-N 0 0 453.520 4.041 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 ZINC000009517718 555310675 /nfs/dbraw/zinc/31/06/75/555310675.db2.gz UXUNAXDLHZYCOE-UHFFFAOYSA-N 0 0 452.927 4.158 50 0 JIAARN CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O ZINC000009519086 555315551 /nfs/dbraw/zinc/31/55/51/555315551.db2.gz HTHMQVWVZZZKNR-SFHVURJKSA-N 0 0 459.550 4.277 50 0 JIAARN Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4c3cc(Cl)ccc3C)n(C)c2=O)c1 ZINC000009519268 555315843 /nfs/dbraw/zinc/31/58/43/555315843.db2.gz RABSHRZNNPFPDX-INIZCTEOSA-N 0 0 463.969 4.003 50 0 JIAARN Cc1cccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCCCC3)c3ccccc23)c1C ZINC000009519792 555317986 /nfs/dbraw/zinc/31/79/86/555317986.db2.gz MVRDXHVDFMDDMO-UHFFFAOYSA-N 0 0 481.618 4.073 50 0 JIAARN CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)ccc2C)c1 ZINC000009526022 555319913 /nfs/dbraw/zinc/31/99/13/555319913.db2.gz SMWFBUTZPHFAAW-UHFFFAOYSA-N 0 0 454.523 4.161 50 0 JIAARN CNC(=O)[C@H]1CN(C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)c2ccccc2O1 ZINC000009533977 555328557 /nfs/dbraw/zinc/32/85/57/555328557.db2.gz LNGGAWMABCGEPB-LJQANCHMSA-N 0 0 466.950 4.203 50 0 JIAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000009534898 555328925 /nfs/dbraw/zinc/32/89/25/555328925.db2.gz ZDTXEKVRFMTXDL-KRWDZBQOSA-N 0 0 492.630 4.175 50 0 JIAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000009535287 555329223 /nfs/dbraw/zinc/32/92/23/555329223.db2.gz KHDMNZQIIMUGQR-INIZCTEOSA-N 0 0 456.593 4.122 50 0 JIAARN O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000009536611 555330042 /nfs/dbraw/zinc/33/00/42/555330042.db2.gz FFHDOLCIILEKKF-WIOPSUGQSA-N 0 0 479.989 4.391 50 0 JIAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(Br)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000009539923 555332125 /nfs/dbraw/zinc/33/21/25/555332125.db2.gz OIAQFGOIHYUZSJ-CYBMUJFWSA-N 0 0 492.757 4.084 50 0 JIAARN COC(=O)c1ccc(COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)Nc3ccccc3)cc2)cc1 ZINC000009540122 555332657 /nfs/dbraw/zinc/33/26/57/555332657.db2.gz HCCGVVCEYNEVIG-DEOSSOPVSA-N 0 0 471.513 4.319 50 0 JIAARN O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)NCc1ccc(Cl)cc1Cl ZINC000009540445 555333214 /nfs/dbraw/zinc/33/32/14/555333214.db2.gz HGVXHTSEQZMCKT-INIZCTEOSA-N 0 0 452.319 4.297 50 0 JIAARN CCOc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3ccccc3c2=O)cc1 ZINC000009540535 555333436 /nfs/dbraw/zinc/33/34/36/555333436.db2.gz PBSALEUQQFJWRS-UHFFFAOYSA-N 0 0 459.571 4.235 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccc(Cl)cc1C ZINC000009632854 555334770 /nfs/dbraw/zinc/33/47/70/555334770.db2.gz HCPXJSRXRNCSCQ-UHFFFAOYSA-N 0 0 466.987 4.239 50 0 JIAARN Cc1cc(C(=O)CCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(C)s1 ZINC000009544461 555335505 /nfs/dbraw/zinc/33/55/05/555335505.db2.gz NNTCEMWRJDUGQJ-UHFFFAOYSA-N 0 0 455.001 4.404 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCc1c[nH]c2ccccc12 ZINC000009633616 555337391 /nfs/dbraw/zinc/33/73/91/555337391.db2.gz BHPPZSBOUSALTP-UHFFFAOYSA-N 0 0 455.580 4.313 50 0 JIAARN O=C(CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1)N1CCc2ccccc21 ZINC000009634612 555339950 /nfs/dbraw/zinc/33/99/50/555339950.db2.gz FAEMLWNIRIPJHH-UHFFFAOYSA-N 0 0 496.386 4.482 50 0 JIAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C ZINC000013145357 555341897 /nfs/dbraw/zinc/34/18/97/555341897.db2.gz ITEKWXOPDAMYLG-HXUWFJFHSA-N 0 0 483.634 4.395 50 0 JIAARN CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000009546643 555342582 /nfs/dbraw/zinc/34/25/82/555342582.db2.gz GSYAETDHKCDCNH-GOSISDBHSA-N 0 0 465.623 4.323 50 0 JIAARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000013145766 555343535 /nfs/dbraw/zinc/34/35/35/555343535.db2.gz GABAPLQINSBMKJ-UHFFFAOYSA-N 0 0 464.971 4.252 50 0 JIAARN O=C(Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1)c1ccco1 ZINC000009548546 555345115 /nfs/dbraw/zinc/34/51/15/555345115.db2.gz UOJGXZBERLYUFG-UHFFFAOYSA-N 0 0 467.547 4.349 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)cc2)cc1 ZINC000009549592 555347529 /nfs/dbraw/zinc/34/75/29/555347529.db2.gz DHKCBPMMRDLUBA-GOSISDBHSA-N 0 0 488.569 4.367 50 0 JIAARN COc1cccc(NC(=O)COc2ccc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)cc2)c1 ZINC000009549662 555347864 /nfs/dbraw/zinc/34/78/64/555347864.db2.gz ZNKVKXWKSKPLTE-IBGZPJMESA-N 0 0 470.529 4.389 50 0 JIAARN COCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(C)c(Cl)cc1Cl ZINC000009549841 555348064 /nfs/dbraw/zinc/34/80/64/555348064.db2.gz CDKUQZHZDSTMAE-UHFFFAOYSA-N 0 0 466.394 4.256 50 0 JIAARN O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000013148272 555348672 /nfs/dbraw/zinc/34/86/72/555348672.db2.gz NKFDIPUZKCPZAZ-CRICUBBOSA-N 0 0 451.450 4.118 50 0 JIAARN O=C(CCc1ccc(F)cc1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009550376 555348652 /nfs/dbraw/zinc/34/86/52/555348652.db2.gz XJQBYKHVASZEDD-UHFFFAOYSA-N 0 0 470.522 4.359 50 0 JIAARN COc1ccccc1-c1nnc(C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)o1 ZINC000009639859 555349307 /nfs/dbraw/zinc/34/93/07/555349307.db2.gz YABWGSRSAOSAEC-UHFFFAOYSA-N 0 0 484.397 4.138 50 0 JIAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c1)CS2 ZINC000013148515 555349649 /nfs/dbraw/zinc/34/96/49/555349649.db2.gz RDQPKOOHFNVMKA-UWJYYQICSA-N 0 0 463.481 4.350 50 0 JIAARN Cc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1C ZINC000009640774 555351024 /nfs/dbraw/zinc/35/10/24/555351024.db2.gz SXLXMJFSJSJNFS-UHFFFAOYSA-N 0 0 458.547 4.262 50 0 JIAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)NCc1cccc(Cl)c1 ZINC000013149670 555353590 /nfs/dbraw/zinc/35/35/90/555353590.db2.gz YBJGPRDRHDWENM-UHFFFAOYSA-N 0 0 499.416 4.031 50 0 JIAARN C=C1C(N2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000009642166 555354085 /nfs/dbraw/zinc/35/40/85/555354085.db2.gz WHFLCBYUFPLJNF-UHFFFAOYSA-N 0 0 488.009 4.481 50 0 JIAARN C=C1C(N2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000009642090 555354087 /nfs/dbraw/zinc/35/40/87/555354087.db2.gz UNSWEARKJJUGRT-KRWDZBQOSA-N 0 0 486.037 4.445 50 0 JIAARN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2nnc(-c3ccccc3)o2)CC1 ZINC000013150142 555355068 /nfs/dbraw/zinc/35/50/68/555355068.db2.gz QBLUVMKERADOEZ-UHFFFAOYSA-N 0 0 482.606 4.382 50 0 JIAARN COc1cccc(NC(=O)N2CCN(c3nnc(C)c4c(C)n(-c5ccc(C)cc5)nc43)CC2)c1 ZINC000009642495 555355349 /nfs/dbraw/zinc/35/53/49/555355349.db2.gz WLXYGCLTURBZQI-UHFFFAOYSA-N 0 0 471.565 4.103 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cc3ccccc3)c2)C[C@@H](C)O1 ZINC000009643299 555356221 /nfs/dbraw/zinc/35/62/21/555356221.db2.gz KMXZZLGUMKWMOB-WOJBJXKFSA-N 0 0 464.587 4.328 50 0 JIAARN Cc1cc(C)cc(-n2c(=O)c3c(nc2SCC(=O)Nc2ccc4c(c2)OCCO4)C[C@H](C)S3)c1 ZINC000009560163 555356283 /nfs/dbraw/zinc/35/62/83/555356283.db2.gz GSRGCLGGNZSQNA-INIZCTEOSA-N 0 0 495.626 4.388 50 0 JIAARN COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1 ZINC000009645824 555358538 /nfs/dbraw/zinc/35/85/38/555358538.db2.gz XCLYQTSMQUTGEG-UHFFFAOYSA-N 0 0 470.616 4.329 50 0 JIAARN CCOc1ccc(CNC(=O)c2cccc(Nc3nc4ccccc4n4cnnc34)c2)cc1OC ZINC000009561342 555359211 /nfs/dbraw/zinc/35/92/11/555359211.db2.gz ZXAFOQVTZLHDJG-UHFFFAOYSA-N 0 0 468.517 4.358 50 0 JIAARN COc1ccccc1-c1nnc(Sc2nc(CN3CCOCC3)nc3sc(C)c(C)c32)o1 ZINC000013163678 555362269 /nfs/dbraw/zinc/36/22/69/555362269.db2.gz AMUVOYLVAMYDFR-UHFFFAOYSA-N 0 0 469.592 4.350 50 0 JIAARN COc1ccc(-c2csc3nc(C)nc(Sc4nnnn4C[C@H]4CCCO4)c23)cc1OC ZINC000013163793 555362726 /nfs/dbraw/zinc/36/27/26/555362726.db2.gz ITVRCILTZKZATQ-CQSZACIVSA-N 0 0 470.580 4.001 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(N4CCCC4=O)cc3)ccc2C)cc1 ZINC000009562670 555363897 /nfs/dbraw/zinc/36/38/97/555363897.db2.gz IMRUSOIMOLSJAW-UHFFFAOYSA-N 0 0 479.558 4.184 50 0 JIAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)COc1ccc(-c2nnco2)cc1 ZINC000013164354 555364490 /nfs/dbraw/zinc/36/44/90/555364490.db2.gz LABRRLZMOFMYHY-UHFFFAOYSA-N 0 0 474.473 4.024 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Oc3ccccc3-c3ccccc3)c2)C[C@H](C)O1 ZINC000013164431 555364821 /nfs/dbraw/zinc/36/48/21/555364821.db2.gz MZEWSTMTYVWGCM-KDURUIRLSA-N 0 0 451.544 4.371 50 0 JIAARN COc1ccccc1CNC(=O)c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009661633 555365707 /nfs/dbraw/zinc/36/57/07/555365707.db2.gz PHGCYABVCMWBTP-UHFFFAOYSA-N 0 0 464.525 4.126 50 0 JIAARN Cc1sc2ncn(CC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c(=O)c2c1-c1ccccc1 ZINC000013164755 555366456 /nfs/dbraw/zinc/36/64/56/555366456.db2.gz DVIMSOQMGHDVSL-OAHLLOKOSA-N 0 0 461.543 4.082 50 0 JIAARN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)ccc1F ZINC000009569517 555367952 /nfs/dbraw/zinc/36/79/52/555367952.db2.gz VUVXYDQTJOHFGF-UHFFFAOYSA-N 0 0 478.542 4.216 50 0 JIAARN O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1)Nc1cccc(Cl)c1 ZINC000009573656 555370398 /nfs/dbraw/zinc/37/03/98/555370398.db2.gz WWKCQLCTAMWYLV-UHFFFAOYSA-N 0 0 455.971 4.332 50 0 JIAARN O=C(CSc1nnc2n1CCN2c1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000009573952 555370945 /nfs/dbraw/zinc/37/09/45/555370945.db2.gz QJOZPBMPCWFNND-UHFFFAOYSA-N 0 0 451.571 4.142 50 0 JIAARN Nc1nc(CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)nc(Nc2ccc(F)cc2)n1 ZINC000009664480 555373637 /nfs/dbraw/zinc/37/36/37/555373637.db2.gz MBHUAGHDRBFBDM-GOSISDBHSA-N 0 0 496.547 4.205 50 0 JIAARN COc1cc(OC)cc(C(=O)OC[C@H]2[C@@H](COC(=O)c3cc(OC)cc(OC)c3)C2(Cl)Cl)c1 ZINC000013305637 555374890 /nfs/dbraw/zinc/37/48/90/555374890.db2.gz IBBHAHPKMAYZHM-BGYRXZFFSA-N 0 0 499.343 4.155 50 0 JIAARN Cc1cccc(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1C ZINC000009665942 555377273 /nfs/dbraw/zinc/37/72/73/555377273.db2.gz XQRRMFLOKVYBCN-UHFFFAOYSA-N 0 0 478.998 4.317 50 0 JIAARN COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)c4cccc5cccc(c54)C3=O)cc2)cc1 ZINC000009666218 555378129 /nfs/dbraw/zinc/37/81/29/555378129.db2.gz QOWZHDWOICRUTG-UHFFFAOYSA-N 0 0 480.476 4.445 50 0 JIAARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)cc1 ZINC000009666311 555378616 /nfs/dbraw/zinc/37/86/16/555378616.db2.gz FMTSNTODVRGFGC-UHFFFAOYSA-N 0 0 497.594 4.057 50 0 JIAARN COc1cc(Cl)c(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)cc3)n2)c(OC)c1 ZINC000013350237 555380269 /nfs/dbraw/zinc/38/02/69/555380269.db2.gz NIGINKDWNLTVKI-AWEZNQCLSA-N 0 0 459.955 4.331 50 0 JIAARN COc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCc4ccccc4)CCC3)cc2)c1 ZINC000013351019 555380302 /nfs/dbraw/zinc/38/03/02/555380302.db2.gz IHKQRRWVPVJYQU-UHFFFAOYSA-N 0 0 450.560 4.234 50 0 JIAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[nH]c(CSc3nnnn3C(C)(C)C)nc(=O)c12 ZINC000009578674 555380733 /nfs/dbraw/zinc/38/07/33/555380733.db2.gz CVXPWTGVDMILBQ-UHFFFAOYSA-N 0 0 483.623 4.196 50 0 JIAARN COc1ccc(-c2noc(CN(C)C(=O)c3cc(Br)ccc3Cl)n2)cc1OC ZINC000009667395 555380730 /nfs/dbraw/zinc/38/07/30/555380730.db2.gz TUXAHSHCTJNKCH-UHFFFAOYSA-N 0 0 466.719 4.442 50 0 JIAARN O=C(NC1CCCCCC1)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000013352722 555381210 /nfs/dbraw/zinc/38/12/10/555381210.db2.gz NAMFHQXGOAQMGD-UHFFFAOYSA-N 0 0 483.634 4.179 50 0 JIAARN COc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000009667906 555381361 /nfs/dbraw/zinc/38/13/61/555381361.db2.gz RXWYUUHJAUNXQH-NRFANRHFSA-N 0 0 458.967 4.185 50 0 JIAARN Clc1cccc(-c2noc(CSc3nnc(N4CCOCC4)n3Cc3ccccc3)n2)c1 ZINC000009578994 555381815 /nfs/dbraw/zinc/38/18/15/555381815.db2.gz VMMVFJCIXCRCRW-UHFFFAOYSA-N 0 0 468.970 4.159 50 0 JIAARN O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000009669509 555383880 /nfs/dbraw/zinc/38/38/80/555383880.db2.gz 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ZINC000011363646 555775203 /nfs/dbraw/zinc/77/52/03/555775203.db2.gz QKVJXLCRYYGHRH-FQEVSTJZSA-N 0 0 465.619 4.495 50 0 JIAARN Cc1c(NC(=O)[C@H](C)Oc2ccc(Br)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000011399386 555777318 /nfs/dbraw/zinc/77/73/18/555777318.db2.gz KNGFWCWZJJYFGZ-ZDUSSCGKSA-N 0 0 464.747 4.306 50 0 JIAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011451891 555781824 /nfs/dbraw/zinc/78/18/24/555781824.db2.gz NTUDATNIAIFEGW-UHFFFAOYSA-N 0 0 482.052 4.417 50 0 JIAARN C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)Nc1cccc2ccccc21 ZINC000011469739 555782965 /nfs/dbraw/zinc/78/29/65/555782965.db2.gz AXDBTVMENFNTHC-INIZCTEOSA-N 0 0 486.977 4.462 50 0 JIAARN Cc1oc(-c2ccccc2Cl)nc1CS(=O)(=O)CC(=O)NCc1ccccc1Cl ZINC000020355495 555783564 /nfs/dbraw/zinc/78/35/64/555783564.db2.gz JRCJVDBMWJFUSV-UHFFFAOYSA-N 0 0 453.347 4.188 50 0 JIAARN C[C@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000011484265 555783817 /nfs/dbraw/zinc/78/38/17/555783817.db2.gz WXHKPBDPTSQMCI-ROUUACIJSA-N 0 0 451.596 4.368 50 0 JIAARN Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000011514406 555785104 /nfs/dbraw/zinc/78/51/04/555785104.db2.gz ZATWZEDUNIQSFD-UHFFFAOYSA-N 0 0 463.925 4.462 50 0 JIAARN COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1O ZINC000011553685 555787240 /nfs/dbraw/zinc/78/72/40/555787240.db2.gz QWRXSGUAJVBEKW-JOCHJYFZSA-N 0 0 464.547 4.354 50 0 JIAARN COc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000020386554 555787540 /nfs/dbraw/zinc/78/75/40/555787540.db2.gz VUVNSUMJMLJMSK-ZSQFBXSQSA-N 0 0 454.567 4.019 50 0 biogenic JIAARN COc1ccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000020386547 555787560 /nfs/dbraw/zinc/78/75/60/555787560.db2.gz VUVNSUMJMLJMSK-RZFJZAQRSA-N 0 0 454.567 4.019 50 0 biogenic JIAARN COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000011612422 555790092 /nfs/dbraw/zinc/79/00/92/555790092.db2.gz CZQBNPMXPWPRNF-UHFFFAOYSA-N 0 0 450.560 4.273 50 0 JIAARN C/C=C/c1ccc(OC[C@@H](O)Cn2c(CS(=O)(=O)c3ccccc3)nc3ccccc32)c(OC)c1 ZINC000014290049 555791628 /nfs/dbraw/zinc/79/16/28/555791628.db2.gz VWELICCEUXUWCN-XFHFFWBUSA-N 0 0 492.597 4.492 50 0 JIAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000014347524 555795730 /nfs/dbraw/zinc/79/57/30/555795730.db2.gz WDJLNOVWQIDWQQ-IBGZPJMESA-N 0 0 473.529 4.486 50 0 JIAARN O=C(Cn1cc(S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c2ccccc21)N1CCCC1 ZINC000020530069 555796341 /nfs/dbraw/zinc/79/63/41/555796341.db2.gz MIONULUYCUKJSG-UHFFFAOYSA-N 0 0 450.482 4.256 50 0 JIAARN CCOC(=O)C1=C(CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)NC(=O)N[C@@H]1C ZINC000014356875 555796356 /nfs/dbraw/zinc/79/63/56/555796356.db2.gz HPIAQMAXFNHUOC-QGZVFWFLSA-N 0 0 477.590 4.162 50 0 JIAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)ccc1OC(F)(F)[C@@H](F)C(F)(F)F ZINC000011667039 555797567 /nfs/dbraw/zinc/79/75/67/555797567.db2.gz BLUVZMJOEROUSZ-RDJZCZTQSA-N 0 0 484.393 4.394 50 0 JIAARN Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c(C)n1CCC(C)C ZINC000014358899 555797783 /nfs/dbraw/zinc/79/77/83/555797783.db2.gz BFCQGOVSGDDSRB-UHFFFAOYSA-N 0 0 483.030 4.087 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C)c2)c(N[C@H](C)C(=O)N2CCCC2)c1 ZINC000014359104 555798148 /nfs/dbraw/zinc/79/81/48/555798148.db2.gz KCGOAMBYXDNSKA-LJQANCHMSA-N 0 0 459.612 4.241 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)NC3CCCCCC3)c12 ZINC000011696109 555803288 /nfs/dbraw/zinc/80/32/88/555803288.db2.gz WGYDZXGPPDOGDL-HXUWFJFHSA-N 0 0 466.607 4.219 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)N[C@@H](C)c3ccccc3)c12 ZINC000011696228 555804145 /nfs/dbraw/zinc/80/41/45/555804145.db2.gz BOOXXUQFMQJTBT-MAUKXSAKSA-N 0 0 480.615 4.319 50 0 JIAARN CCn1c2ccc(F)cc2s/c1=N/C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000011726394 555806499 /nfs/dbraw/zinc/80/64/99/555806499.db2.gz KREKZNZLFRKDJZ-PMHRRUBPSA-N 0 0 475.611 4.270 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)S[C@@H](C)C3)c1 ZINC000011726631 555807592 /nfs/dbraw/zinc/80/75/92/555807592.db2.gz YYYSZLKPATVKDO-HNNXBMFYSA-N 0 0 483.615 4.076 50 0 JIAARN Cc1ccc2nc(NC(=O)CSc3nnc(CNC(=O)c4c(F)cccc4Cl)o3)sc2c1 ZINC000011726723 555807967 /nfs/dbraw/zinc/80/79/67/555807967.db2.gz GPSMRINXMWCMSF-UHFFFAOYSA-N 0 0 491.957 4.441 50 0 JIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000020556937 555808496 /nfs/dbraw/zinc/80/84/96/555808496.db2.gz BVGVLJPROSSWLI-HNNXBMFYSA-N 0 0 458.488 4.427 50 0 JIAARN COc1ccc(-c2nc3scc(CCNC(=O)c4ccc(Br)cc4)n3n2)cc1 ZINC000020556812 555808553 /nfs/dbraw/zinc/80/85/53/555808553.db2.gz HPQBARFXCQEEGD-UHFFFAOYSA-N 0 0 457.353 4.201 50 0 JIAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000020559212 555810121 /nfs/dbraw/zinc/81/01/21/555810121.db2.gz LFMIXBVRCIJNMT-QFIPXVFZSA-N 0 0 465.456 4.340 50 0 JIAARN CCc1cc2c(nc(SCC(=O)N(C)C3CCC(C)CC3)n(CCCOC)c2=O)s1 ZINC000011774173 555812069 /nfs/dbraw/zinc/81/20/69/555812069.db2.gz JJJQMRUYRSVPKB-UHFFFAOYSA-N 0 0 451.658 4.186 50 0 JIAARN CCc1c(C)sc2nc(S[C@H](C)C(=O)N3CCC(C)CC3)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000011771561 555812091 /nfs/dbraw/zinc/81/20/91/555812091.db2.gz NIUSSFVNXUWKIJ-SJORKVTESA-N 0 0 463.669 4.247 50 0 JIAARN COc1ccccc1CNC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000020561649 555812650 /nfs/dbraw/zinc/81/26/50/555812650.db2.gz BOUUESYSEXIPFM-JOCHJYFZSA-N 0 0 490.556 4.125 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3cn(CC(C)C)cc(C(=O)N4CCCCCC4)c3=O)CC2)c1C ZINC000011783152 555814010 /nfs/dbraw/zinc/81/40/10/555814010.db2.gz XGUCCRPOJSXOGA-UHFFFAOYSA-N 0 0 492.664 4.100 50 0 JIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@@H](C)C(=O)NCCc1ccc(Cl)cc1)nc2C ZINC000020563651 555815406 /nfs/dbraw/zinc/81/54/06/555815406.db2.gz QVDSVZUJPUEZBY-SFHVURJKSA-N 0 0 463.969 4.081 50 0 JIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NCc1ccc(OC(C)C)cc1)nc2C ZINC000020563880 555816052 /nfs/dbraw/zinc/81/60/52/555816052.db2.gz ICDNJUUWEMVMGI-UHFFFAOYSA-N 0 0 487.604 4.391 50 0 JIAARN COCC1CCN(C(=O)c2cc(NC(=O)C(C)C)cc3nc(C)n(Cc4ccccc4)c32)CC1 ZINC000011784679 555816187 /nfs/dbraw/zinc/81/61/87/555816187.db2.gz QUPVQMUBFWRYBZ-UHFFFAOYSA-N 0 0 462.594 4.486 50 0 JIAARN COc1ccc(-n2nc3c(c2C)c(C)nnc3N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000020564540 555818198 /nfs/dbraw/zinc/81/81/98/555818198.db2.gz IQLPBJPUVOCXOA-FQEVSTJZSA-N 0 0 488.567 4.113 50 0 JIAARN COc1ccc(-n2nc3c(c2C)c(C)nnc3N2CCC[C@H](C(=O)NCc3cccs3)C2)cc1 ZINC000020564549 555818288 /nfs/dbraw/zinc/81/82/88/555818288.db2.gz PDBRBOATOTZFCU-SFHVURJKSA-N 0 0 476.606 4.035 50 0 JIAARN CC(C)CN1C[C@@H](OCc2cccnc2)CN(C(=O)c2cc(C3CC3)nc3ccccc32)CC1=O ZINC000014532508 555820259 /nfs/dbraw/zinc/82/02/59/555820259.db2.gz NLYXGDLYVKOGAO-JOCHJYFZSA-N 0 0 472.589 4.033 50 0 JIAARN Cn1c([C@@H]2CCCO2)nc2cc(NC(=O)CC3CCCC3)cc(C(=O)NCc3ccncc3)c21 ZINC000011789416 555824220 /nfs/dbraw/zinc/82/42/20/555824220.db2.gz KYYNIEPDAVCLHD-QFIPXVFZSA-N 0 0 461.566 4.269 50 0 JIAARN COC(=O)c1c(NC(=O)c2ccco2)c2cc(N[C@@H](C)Cc3ccccc3OC)cnc2n1C ZINC000014536636 555825650 /nfs/dbraw/zinc/82/56/50/555825650.db2.gz YBJHDHQYDDPAQV-HNNXBMFYSA-N 0 0 462.506 4.257 50 0 JIAARN Cc1cccc(N2C(=O)CS[C@@]23c2ccccc2N(CC(=O)Nc2ccccc2C)C3=O)c1 ZINC000020573899 555826162 /nfs/dbraw/zinc/82/61/62/555826162.db2.gz SMQMMFHXIZLDIC-AREMUKBSSA-N 0 0 457.555 4.222 50 0 JIAARN CCc1ccc(NC(=O)CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(C)cc3)C2=O)cc1 ZINC000020573919 555826189 /nfs/dbraw/zinc/82/61/89/555826189.db2.gz NPSHZCQDHMKZHE-MHZLTWQESA-N 0 0 471.582 4.476 50 0 JIAARN Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccc(F)cc3)C2=O)cc1C ZINC000020574048 555827101 /nfs/dbraw/zinc/82/71/01/555827101.db2.gz KXYZMIHCHAHNRR-AREMUKBSSA-N 0 0 475.545 4.361 50 0 JIAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CC(=O)Nc2ccccc2)C3=O)cc1C ZINC000020574165 555827851 /nfs/dbraw/zinc/82/78/51/555827851.db2.gz FIBKOHLZAINNBL-AREMUKBSSA-N 0 0 457.555 4.222 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c43)C2)c1 ZINC000020575301 555830425 /nfs/dbraw/zinc/83/04/25/555830425.db2.gz FFZVAPNPWPWWEF-GOSISDBHSA-N 0 0 489.507 4.456 50 0 JIAARN O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)N1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000011840532 555833168 /nfs/dbraw/zinc/83/31/68/555833168.db2.gz FSDJDRVWVYIAOH-SHQCIBLASA-N 0 0 469.025 4.154 50 0 JIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020580410 555834557 /nfs/dbraw/zinc/83/45/57/555834557.db2.gz FZRFFDYWGQCGNB-UHFFFAOYSA-N 0 0 481.496 4.188 50 0 JIAARN Cc1nn2c(nc(CSc3ccccc3NC(=O)CSc3ccccc3)cc2=O)s1 ZINC000020582797 555835718 /nfs/dbraw/zinc/83/57/18/555835718.db2.gz PZBCQMZCPRAJTC-UHFFFAOYSA-N 0 0 454.602 4.483 50 0 JIAARN COCCCn1c(-c2ccc(Br)cc2)cs/c1=N\S(=O)(=O)c1ccccc1 ZINC000011859590 555838882 /nfs/dbraw/zinc/83/88/82/555838882.db2.gz MNFCBXUHURINHU-VZCXRCSSSA-N 0 0 467.410 4.305 50 0 JIAARN CCn1c(SCC(=O)N2NC(C)=C[C@]2(O)C(F)(F)F)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000020602334 555843175 /nfs/dbraw/zinc/84/31/75/555843175.db2.gz BJMOYXGMSRESBW-VCBZYWHSSA-N 0 0 487.935 4.174 50 0 JIAARN Cc1c2ccc(OCc3ccccc3)cc2oc(=O)c1CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000011867106 555843956 /nfs/dbraw/zinc/84/39/56/555843956.db2.gz RSBLEVQCACWQDW-PIKZIKFNSA-N 0 0 461.558 4.377 50 0 biogenic JIAARN COCC[C@H]1CCCCN1C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O ZINC000011871840 555847124 /nfs/dbraw/zinc/84/71/24/555847124.db2.gz BVEVYSOZDSSWEI-GIGWZHCTSA-N 0 0 474.601 4.320 50 0 JIAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC2(CC[C@H](CNC(=O)c3ccccc3F)O2)CC1 ZINC000011880292 555848310 /nfs/dbraw/zinc/84/83/10/555848310.db2.gz BIMPLPNDNVGRGI-YLJYHZDGSA-N 0 0 474.960 4.217 50 0 JIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(OCCOc3ccc(C)c(C)c3)c(Cl)c2)S1 ZINC000020895911 555848502 /nfs/dbraw/zinc/84/85/02/555848502.db2.gz ARMDHZGEPKCYTD-OAQYLSRUSA-N 0 0 461.971 4.416 50 0 JIAARN Cc1cc(C)n(C[C@H](C)NC(=O)c2ccc(-n3cc(NC(=O)c4ccc(C)cc4C)cn3)cc2)n1 ZINC000011880500 555848601 /nfs/dbraw/zinc/84/86/01/555848601.db2.gz QIMXWCYQXYJCFB-FQEVSTJZSA-N 0 0 470.577 4.373 50 0 JIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc(Br)ccc2OCc2ccc(F)cc2)S1 ZINC000020896138 555848848 /nfs/dbraw/zinc/84/88/48/555848848.db2.gz CHBXMBFWAYYDEU-GOSISDBHSA-N 0 0 466.332 4.168 50 0 JIAARN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccc(F)cc3)c(N3CCOCC3)nc2c1 ZINC000015005781 555850598 /nfs/dbraw/zinc/85/05/98/555850598.db2.gz GTDWBNDMXNIILG-XMMPIXPASA-N 0 0 479.552 4.041 50 0 JIAARN COc1cc([C@@H]2CC(=O)N(CC(=O)N3CCCCC3)c3ccccc3S2)cc(OC)c1OC ZINC000011882909 555851266 /nfs/dbraw/zinc/85/12/66/555851266.db2.gz OJNTTXSWVFABGU-QFIPXVFZSA-N 0 0 470.591 4.295 50 0 JIAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000021587661 555852965 /nfs/dbraw/zinc/85/29/65/555852965.db2.gz SHVQEXRYPDJAJO-LLVKDONJSA-N 0 0 452.907 4.460 50 0 JIAARN Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)CCCC2)cc1C ZINC000021598032 555854991 /nfs/dbraw/zinc/85/49/91/555854991.db2.gz MOAPLDBGPZRHGY-UHFFFAOYSA-N 0 0 454.592 4.464 50 0 JIAARN COc1ccc(CN(C(=O)c2cccc(N3CCNC3=O)c2)C2CC2)cc1OCc1ccncc1 ZINC000011908842 555855509 /nfs/dbraw/zinc/85/55/09/555855509.db2.gz SMEYSEBGWNPXRR-UHFFFAOYSA-N 0 0 472.545 4.004 50 0 JIAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)N1CCc2sccc2C1 ZINC000021958428 555857619 /nfs/dbraw/zinc/85/76/19/555857619.db2.gz FMYAXOBRRRJENE-GOSISDBHSA-N 0 0 458.584 4.002 50 0 JIAARN C[C@@H](c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1C)N1C(=O)COc2ccccc21 ZINC000015019023 555859886 /nfs/dbraw/zinc/85/98/86/555859886.db2.gz SCBMDQPULFOITF-ZDUSSCGKSA-N 0 0 491.495 4.051 50 0 JIAARN Cc1cc(=O)c(C(=O)N[C@@H]2CCOC(C)(C)C2)c(CCc2ccccc2)n1Cc1ccncc1 ZINC000011912950 555862307 /nfs/dbraw/zinc/86/23/07/555862307.db2.gz POGWDRJROHWRSD-HSZRJFAPSA-N 0 0 459.590 4.073 50 0 JIAARN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015020386 555863364 /nfs/dbraw/zinc/86/33/64/555863364.db2.gz MYARMSDWGUYRGM-CALCHBBNSA-N 0 0 486.569 4.399 50 0 JIAARN CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)ccc1Cl ZINC000015033523 555865322 /nfs/dbraw/zinc/86/53/22/555865322.db2.gz GUPUDQALXKWXSL-HSZRJFAPSA-N 0 0 490.050 4.238 50 0 JIAARN COc1cccc(C(=O)N(Cc2ccc(-c3cccc(Cl)c3)o2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000011914961 555865545 /nfs/dbraw/zinc/86/55/45/555865545.db2.gz ULUMTIQACWGDOX-LJQANCHMSA-N 0 0 459.951 4.438 50 0 JIAARN COCCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc4c(c3)C[C@@H](C)O4)on1)CCCC2 ZINC000011914764 555865573 /nfs/dbraw/zinc/86/55/73/555865573.db2.gz DOTLLPYHQMCKNQ-CQSZACIVSA-N 0 0 481.574 4.234 50 0 JIAARN COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)no2)cc1 ZINC000011915054 555865845 /nfs/dbraw/zinc/86/58/45/555865845.db2.gz MOLHJIFKHHWFPU-UHFFFAOYSA-N 0 0 455.536 4.167 50 0 JIAARN O=C(COc1ccc(Br)cc1Br)Nc1cccc(N2CCCC2=O)c1 ZINC000011916380 555867533 /nfs/dbraw/zinc/86/75/33/555867533.db2.gz ANEAATBVXLSJTJ-UHFFFAOYSA-N 0 0 468.145 4.356 50 0 JIAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3Cl)[C@@H]3CCS(=O)(=O)C3)no2)cc1F ZINC000011917052 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O=C(c1ccc[n+]([O-])c1)N1CCOc2ccc([C@H](O)C(c3ccccc3)c3ccccc3)cc2C1 ZINC000012164648 555932489 /nfs/dbraw/zinc/93/24/89/555932489.db2.gz FVCBPHPOMBUZBI-NDEPHWFRSA-N 0 0 466.537 4.220 50 0 JIAARN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1noc2c1CSc1ccccc1-2 ZINC000015673983 555932949 /nfs/dbraw/zinc/93/29/49/555932949.db2.gz ZZWAXLSTFYUNKK-UHFFFAOYSA-N 0 0 454.983 4.153 50 0 JIAARN CCCSc1ncccc1C(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(F)cc3)co2)CC1 ZINC000022664249 555941141 /nfs/dbraw/zinc/94/11/41/555941141.db2.gz AMHMDYDKKLUUMP-UHFFFAOYSA-N 0 0 497.592 4.213 50 0 JIAARN COc1cc(CC(=O)N2CCC(n3c4ccccc4nc3[C@H]3CCCO3)CC2)cc(OC)c1OC ZINC000012240516 555945168 /nfs/dbraw/zinc/94/51/68/555945168.db2.gz OVAMTTSLAURKSQ-JOCHJYFZSA-N 0 0 479.577 4.320 50 0 JIAARN COCC(=O)Nc1cc2nc(C3CCC3)n(C)c2c(C(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)c1 ZINC000012241143 555945202 /nfs/dbraw/zinc/94/52/02/555945202.db2.gz ARKRUXZIDKJFGV-FQEVSTJZSA-N 0 0 488.588 4.161 50 0 JIAARN O=C(c1cccc(N2CCNC2=O)c1)N1CCC(n2c(CCc3ccccc3)nc3cccnc32)CC1 ZINC000012241328 555945298 /nfs/dbraw/zinc/94/52/98/555945298.db2.gz FRSIWXSOPBJAED-UHFFFAOYSA-N 0 0 494.599 4.223 50 0 JIAARN O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000015680741 555949217 /nfs/dbraw/zinc/94/92/17/555949217.db2.gz FKXPPMTWVBPGHW-UHFFFAOYSA-N 0 0 473.758 4.091 50 0 JIAARN COc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)cc1OC ZINC000015680813 555949273 /nfs/dbraw/zinc/94/92/73/555949273.db2.gz OBRGJHSWGAZLCR-UHFFFAOYSA-N 0 0 464.543 4.271 50 0 JIAARN O=C(COc1ccc2ccccc2c1Br)Nc1ccccc1C(=O)N1CCOCC1 ZINC000012293866 555949558 /nfs/dbraw/zinc/94/95/58/555949558.db2.gz JGCZZNQTZCAVLQ-UHFFFAOYSA-N 0 0 469.335 4.092 50 0 JIAARN C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)NCc5ccncc5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000012296256 555949656 /nfs/dbraw/zinc/94/96/56/555949656.db2.gz IMDXPIWXMDFASW-FPVQWOKUSA-N 0 0 451.611 4.394 50 0 biogenic JIAARN Cc1ccc(CCNC(=O)[C@H]2CCCN(C(=O)c3cnn(-c4ccc(F)cc4)c3-n3cccc3)C2)cc1 ZINC000015681579 555950472 /nfs/dbraw/zinc/95/04/72/555950472.db2.gz NGADBPJOKOWLDU-QHCPKHFHSA-N 0 0 499.590 4.322 50 0 JIAARN COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCc1cccc(Br)c1)n2C ZINC000015681799 555951110 /nfs/dbraw/zinc/95/11/10/555951110.db2.gz YMJWNIFQFQQJOK-UHFFFAOYSA-N 0 0 456.340 4.006 50 0 JIAARN O=C(Cn1c2sc3c(c2c2nc(-c4cccs4)nn2c1=O)CCCC3)NCc1ccccc1 ZINC000012322687 555952423 /nfs/dbraw/zinc/95/24/23/555952423.db2.gz ZXKILSKTOOAXPP-UHFFFAOYSA-N 0 0 475.599 4.029 50 0 JIAARN O=C(C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000015721107 555955146 /nfs/dbraw/zinc/95/51/46/555955146.db2.gz XFTFNBLTMOFJSV-RUZDIDTESA-N 0 0 461.512 4.401 50 0 JIAARN CCn1c2ccc3ccccc3c2s/c1=N/C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1 ZINC000012346232 555956624 /nfs/dbraw/zinc/95/66/24/555956624.db2.gz FWRFZIJDSWZEMK-VQAHOFKPSA-N 0 0 495.626 4.165 50 0 JIAARN Cc1ccc(CNC(=O)CCn2ccc3cc(S(=O)(=O)N4CCCCCC4)ccc32)cc1 ZINC000015722335 555957128 /nfs/dbraw/zinc/95/71/28/555957128.db2.gz MAIHGCQHINVJBJ-UHFFFAOYSA-N 0 0 453.608 4.221 50 0 JIAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)OCc1ccccc1 ZINC000022851334 555957254 /nfs/dbraw/zinc/95/72/54/555957254.db2.gz MIRJHQYNJRROIZ-DEOSSOPVSA-N 0 0 459.546 4.205 50 0 JIAARN Cc1ccccc1CCNC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000015722420 555957462 /nfs/dbraw/zinc/95/74/62/555957462.db2.gz KCDDCJJCCFZGPM-UHFFFAOYSA-N 0 0 467.635 4.263 50 0 JIAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)NC1CCCCC1 ZINC000022851568 555957932 /nfs/dbraw/zinc/95/79/32/555957932.db2.gz YHQZOJJEXFRBBM-QHCPKHFHSA-N 0 0 468.573 4.050 50 0 JIAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCCC1)N(c1ccc(CC)cc1)C2=O ZINC000015723981 555959290 /nfs/dbraw/zinc/95/92/90/555959290.db2.gz NAYZWASHNGZCFK-HHHXNRCGSA-N 0 0 480.609 4.270 50 0 JIAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCCC1)N(c1ccc(C)c(C)c1)C2=O ZINC000015724032 555959584 /nfs/dbraw/zinc/95/95/84/555959584.db2.gz LCUZTVQTNBYQFR-HHHXNRCGSA-N 0 0 480.609 4.325 50 0 JIAARN COc1ccc(-c2noc(CN3CCC[C@H](C(=O)Nc4cc(C)ccc4C)C3)n2)cc1OC ZINC000015726267 555963944 /nfs/dbraw/zinc/96/39/44/555963944.db2.gz IFILOZGWQFSEGO-IBGZPJMESA-N 0 0 450.539 4.221 50 0 JIAARN CCc1ccccc1N(C)C(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000015726347 555964333 /nfs/dbraw/zinc/96/43/33/555964333.db2.gz ITFLMDZTGCLIHZ-UHFFFAOYSA-N 0 0 464.566 4.191 50 0 JIAARN COc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccc(-c5ccno5)cc4)CC3)n2)cc1OC ZINC000015726509 555965147 /nfs/dbraw/zinc/96/51/47/555965147.db2.gz AEHCIGQDTVSLCE-UHFFFAOYSA-N 0 0 489.532 4.260 50 0 JIAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000022908273 555965693 /nfs/dbraw/zinc/96/56/93/555965693.db2.gz LWBJWYIECNFYED-HXUWFJFHSA-N 0 0 457.958 4.395 50 0 JIAARN Cc1cccc(CN2c3ccccc3[C@]3(C2=O)N(c2ccc(C)c(Cl)c2)C(=O)CS3(=O)=O)c1 ZINC000015728280 555968271 /nfs/dbraw/zinc/96/82/71/555968271.db2.gz PQPMMYBJJFBNGY-VWLOTQADSA-N 0 0 480.973 4.118 50 0 JIAARN Cc1c(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)c(=O)n(-c2ccccc2)n1C ZINC000015729206 555969618 /nfs/dbraw/zinc/96/96/18/555969618.db2.gz LPPZXGRCDVVBTI-UHFFFAOYSA-N 0 0 451.486 4.454 50 0 JIAARN COc1cc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)c([C@H](C)O)cc1OC ZINC000012383658 555971944 /nfs/dbraw/zinc/97/19/44/555971944.db2.gz CZLMPEJSMDXNLE-SZEPBZDZSA-N 0 0 480.443 4.459 50 0 JIAARN COc1ccc(S(=O)(=O)N(Cc2cc(CN3CCOCC3)cs2)c2ccc(F)cc2)cc1 ZINC000015730240 555972218 /nfs/dbraw/zinc/97/22/18/555972218.db2.gz FIKQCDMJUFPUOR-UHFFFAOYSA-N 0 0 476.595 4.124 50 0 JIAARN CCN1c2ccccc2-c2nc(SCC(=O)Nc3cc(Cl)ccc3OC)ncc2S1(=O)=O ZINC000015731765 555974986 /nfs/dbraw/zinc/97/49/86/555974986.db2.gz PDYVBTAGMZKFCC-UHFFFAOYSA-N 0 0 490.994 4.065 50 0 JIAARN O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000012393126 555975048 /nfs/dbraw/zinc/97/50/48/555975048.db2.gz NCKRRASZYWJFRG-UHFFFAOYSA-N 0 0 477.502 4.041 50 0 JIAARN C[C@H](c1ccccc1)N1C(=O)N[C@@](NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C1=O ZINC000012401893 555976057 /nfs/dbraw/zinc/97/60/57/555976057.db2.gz MVIPKBONDNRANB-MLCYQJTMSA-N 0 0 460.239 4.295 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)ccc1C ZINC000022924550 555977104 /nfs/dbraw/zinc/97/71/04/555977104.db2.gz FGCCFCBIQOPBMI-UHFFFAOYSA-N 0 0 473.576 4.130 50 0 JIAARN C=C1C(N2CCC(C(=O)NC3CCCCC3)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000015732973 555977633 /nfs/dbraw/zinc/97/76/33/555977633.db2.gz XVTAXUREKPKEHY-UHFFFAOYSA-N 0 0 457.640 4.444 50 0 JIAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000012428250 555979584 /nfs/dbraw/zinc/97/95/84/555979584.db2.gz YBOCEQDRZVSJOR-UHFFFAOYSA-N 0 0 457.423 4.380 50 0 JIAARN CCn1c2cc(NC(=O)Nc3cc(OC)ccc3OC)c(N3CCCCC3)cc2n(CC)c1=O ZINC000015734358 555979681 /nfs/dbraw/zinc/97/96/81/555979681.db2.gz FGZOAQARBDFMFM-UHFFFAOYSA-N 0 0 467.570 4.494 50 0 JIAARN CCn1c2cc(NC(=O)Nc3cc(OC)ccc3OC)c(N3CCCC3)cc2n(CC)c1=O ZINC000015734362 555979781 /nfs/dbraw/zinc/97/97/81/555979781.db2.gz KIOARRMUJBQEQA-UHFFFAOYSA-N 0 0 453.543 4.104 50 0 JIAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000012436813 555979881 /nfs/dbraw/zinc/97/98/81/555979881.db2.gz PYBNARQJBYUMLN-VXKWHMMOSA-N 0 0 468.594 4.192 50 0 JIAARN CCOC(=O)C1CCN(Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)c2ccccc2)CC1 ZINC000012453537 555981104 /nfs/dbraw/zinc/98/11/04/555981104.db2.gz UPXQUUBPBWONFM-UHFFFAOYSA-N 0 0 481.574 4.110 50 0 JIAARN O=C(NCc1cccc(F)c1F)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 ZINC000012455828 555981217 /nfs/dbraw/zinc/98/12/17/555981217.db2.gz OOTZGQKXBKFTAM-UHFFFAOYSA-N 0 0 475.455 4.144 50 0 JIAARN O=C(CN1c2ccccc2Sc2ncccc2C1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015736046 555983048 /nfs/dbraw/zinc/98/30/48/555983048.db2.gz XEKYVSPYFJDICN-UHFFFAOYSA-N 0 0 464.978 4.195 50 0 JIAARN CCOc1ccc(CN2CCN(Cc3nc(=O)c4c(-c5ccccc5)csc4[nH]3)CC2)cc1 ZINC000022930144 555983502 /nfs/dbraw/zinc/98/35/02/555983502.db2.gz CFZYUSNULZKYKC-UHFFFAOYSA-N 0 0 460.603 4.368 50 0 JIAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)ccc1C ZINC000015754405 555985286 /nfs/dbraw/zinc/98/52/86/555985286.db2.gz RRSMPERECWUGJZ-SFHVURJKSA-N 0 0 461.591 4.472 50 0 JIAARN O=C(CN1CCCCC1)Nc1cc(C(F)(F)F)cc(NC(=O)CN2CCCCC2)c1Cl ZINC000015768426 555986879 /nfs/dbraw/zinc/98/68/79/555986879.db2.gz UYVIUZBGDVGTLC-UHFFFAOYSA-N 0 0 460.928 4.208 50 0 JIAARN CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccco3)C2)cc1 ZINC000015768577 555986989 /nfs/dbraw/zinc/98/69/89/555986989.db2.gz CFYOUDBVSUVBRN-HYSAVQALSA-N 0 0 469.563 4.348 50 0 JIAARN CC(C)Cc1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3cccc(F)c3)cc2=O)s1 ZINC000015771862 555990768 /nfs/dbraw/zinc/99/07/68/555990768.db2.gz RRRBXMTUWGNIQB-UHFFFAOYSA-N 0 0 480.521 4.098 50 0 JIAARN CCCCc1nn2c(nc(COC(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)cc2=O)s1 ZINC000015771870 555990856 /nfs/dbraw/zinc/99/08/56/555990856.db2.gz WJWSXVOSIQLHOB-UHFFFAOYSA-N 0 0 480.521 4.242 50 0 JIAARN CCCCc1nn2c(nc(COC(=O)c3cccc(NC(=O)c4ccccc4OC)c3)cc2=O)s1 ZINC000015771926 555991035 /nfs/dbraw/zinc/99/10/35/555991035.db2.gz PXEVJAFFQKMONT-UHFFFAOYSA-N 0 0 492.557 4.112 50 0 JIAARN CCCCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3ccccc3)cc2=O)s1 ZINC000015771936 555991078 /nfs/dbraw/zinc/99/10/78/555991078.db2.gz XHLCRRUEIUIYPX-UHFFFAOYSA-N 0 0 462.531 4.103 50 0 JIAARN CCCCc1nn2c(nc(COC(=O)c3ccc(NC(=O)c4cccc(F)c4)cc3)cc2=O)s1 ZINC000015771894 555991117 /nfs/dbraw/zinc/99/11/17/555991117.db2.gz WDDVVBDZWRGHEY-UHFFFAOYSA-N 0 0 480.521 4.242 50 0 JIAARN CC(C)(C)C(=O)Nc1cccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1 ZINC000022958148 555993780 /nfs/dbraw/zinc/99/37/80/555993780.db2.gz REDKTNSSHDGIGF-UHFFFAOYSA-N 0 0 460.460 4.321 50 0 JIAARN Cc1ccc2sc(N(Cc3ccccc3)C(=O)C3CCN(c4ccc5nnnn5n4)CC3)nc2c1C ZINC000022963376 555993806 /nfs/dbraw/zinc/99/38/06/555993806.db2.gz YNAXFHGSTKMIGI-UHFFFAOYSA-N 0 0 498.616 4.196 50 0 JIAARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(-n4cccn4)cc3)cc2Cl)c1 ZINC000022974930 555994826 /nfs/dbraw/zinc/99/48/26/555994826.db2.gz AXMPIAXVTXFTHZ-UHFFFAOYSA-N 0 0 494.960 4.434 50 0 JIAARN Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2CCCN2CCOCC2)c1 ZINC000022987655 555995388 /nfs/dbraw/zinc/99/53/88/555995388.db2.gz AODGGDSOXWPYTI-HXUWFJFHSA-N 0 0 465.619 4.099 50 0 JIAARN Cc1c(C[NH2+]CCCN2CCN(c3ccccc3)CC2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000015776800 555996472 /nfs/dbraw/zinc/99/64/72/555996472.db2.gz MZLWBGGHIWYTJJ-UHFFFAOYSA-N 0 0 474.649 4.462 50 0 JIAARN Cc1ccc(Cl)c2sc(N(CCCN3CCOCC3)C(=O)[C@H]3COc4ccccc4O3)nc21 ZINC000022997916 555997611 /nfs/dbraw/zinc/99/76/11/555997611.db2.gz YXVFSBCWLOGRTD-HXUWFJFHSA-N 0 0 488.009 4.153 50 0 JIAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NC(=O)NC45CC6CC(CC(C6)C4)C5)cc3c2C1 ZINC000012529050 555998140 /nfs/dbraw/zinc/99/81/40/555998140.db2.gz MQTJNOYYFMQNQC-AEBPFMNOSA-N 0 0 463.578 4.244 50 0 JIAARN CCOc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(Br)s3)sc2c1 ZINC000022998472 555998599 /nfs/dbraw/zinc/99/85/99/555998599.db2.gz KNNSWEXZLWHLKZ-UHFFFAOYSA-N 0 0 496.452 4.498 50 0 JIAARN CCCCOc1ccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015781226 556000083 /nfs/dbraw/zinc/00/00/83/556000083.db2.gz MIXCRKHLBOXNSP-QHCPKHFHSA-N 0 0 457.548 4.412 50 0 JIAARN COc1ccc(-c2cc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)ccc2OC(F)F)cc1 ZINC000023015800 556000180 /nfs/dbraw/zinc/00/01/80/556000180.db2.gz XZXZZHAHGVYPAM-UHFFFAOYSA-N 0 0 476.457 4.209 50 0 JIAARN O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccc(Cl)cc1 ZINC000015781336 556000504 /nfs/dbraw/zinc/00/05/04/556000504.db2.gz FSLHWOGXZGIRJN-UHFFFAOYSA-N 0 0 480.970 4.421 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(C)cc2)CCC3)cc1 ZINC000015781328 556000534 /nfs/dbraw/zinc/00/05/34/556000534.db2.gz VRUNXIWTJNALFE-UHFFFAOYSA-N 0 0 486.615 4.336 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCCCCC2)c1 ZINC000012533077 556004481 /nfs/dbraw/zinc/00/44/81/556004481.db2.gz YQEQJRNNQFCMKC-UHFFFAOYSA-N 0 0 450.004 4.370 50 0 JIAARN CC(=O)N1N=C(c2ccccc2OCc2ccc(Br)cc2)O[C@@H]1Cn1nc(C)cc1C ZINC000015785745 556004786 /nfs/dbraw/zinc/00/47/86/556004786.db2.gz ZFUBVAZQRIWZDM-JOCHJYFZSA-N 0 0 483.366 4.408 50 0 JIAARN Cc1ccccc1OCc1nnc(SCC(=O)NC(=O)c2ccccc2)n1-c1ccccc1 ZINC000012533998 556006101 /nfs/dbraw/zinc/00/61/01/556006101.db2.gz LVPRURBXRAJNCH-UHFFFAOYSA-N 0 0 458.543 4.203 50 0 JIAARN COc1ccc(OCCOc2ccc(Br)cc2C=C2SC(=O)NC2=O)cc1 ZINC000015800563 556008692 /nfs/dbraw/zinc/00/86/92/556008692.db2.gz YYLOSAJVDKTXQK-BOPFTXTBSA-N 0 0 450.310 4.239 50 0 JIAARN CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCCOc1ccc(Br)cc1 ZINC000015800338 556008722 /nfs/dbraw/zinc/00/87/22/556008722.db2.gz USZLJUWOVLKBIE-PDGQHHTCSA-N 0 0 463.353 4.444 50 0 JIAARN Cc1cccc(C)c1NC(=O)Cn1nc(-c2ccccc2)c2sc(N3CCCC3)nc2c1=O ZINC000023108776 556009583 /nfs/dbraw/zinc/00/95/83/556009583.db2.gz YHEUWEXQEKWZOD-UHFFFAOYSA-N 0 0 459.575 4.376 50 0 JIAARN CCOc1ccc(CCNC(=O)C2CCN(c3nc(-c4ccc(OC)cc4)no3)CC2)cc1OCC ZINC000015821357 556009887 /nfs/dbraw/zinc/00/98/87/556009887.db2.gz CRPCUKYHFONVSK-UHFFFAOYSA-N 0 0 494.592 4.118 50 0 JIAARN O=C(Cn1nc(-c2ccco2)c2sc(N3CCCC3)nc2c1=O)Nc1cccc(Cl)c1 ZINC000023109050 556010039 /nfs/dbraw/zinc/01/00/39/556010039.db2.gz DJEPKBNTMBRLNC-UHFFFAOYSA-N 0 0 455.927 4.005 50 0 JIAARN COc1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1Cl ZINC000015823155 556011392 /nfs/dbraw/zinc/01/13/92/556011392.db2.gz LEFLUWVJAYYKEI-UHFFFAOYSA-N 0 0 464.927 4.123 50 0 JIAARN CC(=O)c1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)cc1 ZINC000015825245 556013525 /nfs/dbraw/zinc/01/35/25/556013525.db2.gz JPTQKFXJCCMIPR-UHFFFAOYSA-N 0 0 453.911 4.108 50 0 JIAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000015825255 556013560 /nfs/dbraw/zinc/01/35/60/556013560.db2.gz IARFLGGQGMPEIP-QGZVFWFLSA-N 0 0 457.621 4.233 50 0 JIAARN CNc1nn(CC(=O)Nc2cc(C)ccc2C)c(N)c1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000023125512 556013745 /nfs/dbraw/zinc/01/37/45/556013745.db2.gz VUTXTZLCOJKQKD-UHFFFAOYSA-N 0 0 451.918 4.133 50 0 JIAARN COc1ccc(NC(=O)Cn2nc(NC(C)C)c(-c3nc(-c4ccc(Cl)cc4)no3)c2N)cc1 ZINC000023125521 556013748 /nfs/dbraw/zinc/01/37/48/556013748.db2.gz MLTNMIZJKFUDHF-UHFFFAOYSA-N 0 0 481.944 4.303 50 0 JIAARN COc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2nc3ccccc3n2C)c1 ZINC000012540236 556013913 /nfs/dbraw/zinc/01/39/13/556013913.db2.gz VVTWIHPVPTYPED-UHFFFAOYSA-N 0 0 460.559 4.243 50 0 JIAARN CCc1ccc(N2C(=O)N(CC(=O)NCc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000015827299 556014450 /nfs/dbraw/zinc/01/44/50/556014450.db2.gz UTVPKLLMPSVKKZ-UHFFFAOYSA-N 0 0 483.977 4.354 50 0 JIAARN O=c1c2ccccc2n(Cc2nc(-c3cccc(Cl)c3)no2)c(=O)n1CCc1ccccc1 ZINC000023126851 556016328 /nfs/dbraw/zinc/01/63/28/556016328.db2.gz QHRALCKQKNZTSG-UHFFFAOYSA-N 0 0 458.905 4.158 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccccc1N1CCOCC1)CC2 ZINC000012542046 556017127 /nfs/dbraw/zinc/01/71/27/556017127.db2.gz IJOBYIGMIOPNKV-LJAQVGFWSA-N 0 0 487.600 4.127 50 0 JIAARN COc1cc(CN(C[C@@H]2CCCO2)C(=O)c2cc(-c3ccccc3)on2)cc(OC)c1OC ZINC000015833050 556018416 /nfs/dbraw/zinc/01/84/16/556018416.db2.gz JOVINWFVIJRSTI-IBGZPJMESA-N 0 0 452.507 4.189 50 0 JIAARN CCN(Cc1ccccc1)C(=O)COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1C ZINC000012544791 556021079 /nfs/dbraw/zinc/02/10/79/556021079.db2.gz FIRUEZNBLWMAQT-UHFFFAOYSA-N 0 0 480.586 4.310 50 0 JIAARN CCCN(Cn1nc(Nc2cccc(Br)c2)sc1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012545227 556021384 /nfs/dbraw/zinc/02/13/84/556021384.db2.gz OLQGCGYXEZIVJM-AWEZNQCLSA-N 0 0 477.475 4.037 50 0 JIAARN C[C@H]1CCc2c(sc3nc(SC[C@H]4CSc5nnc(-c6cccnc6)n54)nc(N)c23)C1 ZINC000012545473 556021385 /nfs/dbraw/zinc/02/13/85/556021385.db2.gz KMZDCTQTHICJQE-AAEUAGOBSA-N 0 0 467.649 4.491 50 0 JIAARN CCc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000015838095 556021675 /nfs/dbraw/zinc/02/16/75/556021675.db2.gz DVEKPNOSGLZTST-QHCPKHFHSA-N 0 0 466.965 4.276 50 0 JIAARN Cc1nc2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2c(=O)n1-c1ccccc1 ZINC000023143938 556022617 /nfs/dbraw/zinc/02/26/17/556022617.db2.gz AWJJLYUWHDOEQG-UHFFFAOYSA-N 0 0 475.448 4.394 50 0 JIAARN COc1ccc(CCN(C)C(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1OC ZINC000015846557 556023683 /nfs/dbraw/zinc/02/36/83/556023683.db2.gz KBOFTJKVPHBHQE-UHFFFAOYSA-N 0 0 494.613 4.160 50 0 JIAARN COC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153729 556024568 /nfs/dbraw/zinc/02/45/68/556024568.db2.gz AVXUVFWLRJFCCJ-UHFFFAOYSA-N 0 0 466.559 4.363 50 0 JIAARN COc1ccc([C@@H]2Oc3ccccc3-n3c(-c4ccc(C)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000015858914 556027179 /nfs/dbraw/zinc/02/71/79/556027179.db2.gz QJNNIPIBXIXODC-MHZLTWQESA-N 0 0 479.536 4.494 50 0 JIAARN C[C@H](NS(=O)(=O)c1ccc(F)cc1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023182063 556028356 /nfs/dbraw/zinc/02/83/56/556028356.db2.gz RXFCMQJTXFBQNH-GAJHUEQPSA-N 0 0 477.602 4.257 50 0 JIAARN C[C@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000023230177 556032750 /nfs/dbraw/zinc/03/27/50/556032750.db2.gz IBJFDOGBTWPZQG-IRXDYDNUSA-N 0 0 453.539 4.405 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCc1ccccc1Cl ZINC000012551407 556033358 /nfs/dbraw/zinc/03/33/58/556033358.db2.gz OVRMBCLPHMUXPL-UHFFFAOYSA-N 0 0 450.988 4.485 50 0 JIAARN Cc1cccc(N2CCN(C(=O)CCC(=O)c3ccc(I)cc3)CC2)c1C ZINC000012551739 556033948 /nfs/dbraw/zinc/03/39/48/556033948.db2.gz MRCPIDMDLHRYSY-UHFFFAOYSA-N 0 0 476.358 4.220 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCc3c(C)noc3C)ccc2N2CCCC2)cc1 ZINC000012552294 556035329 /nfs/dbraw/zinc/03/53/29/556035329.db2.gz AFFHFNDOFLWMRG-UHFFFAOYSA-N 0 0 498.605 4.272 50 0 JIAARN Cn1c2ccccc2c(C(=O)CSc2nnc(CCC(N)=O)n2Cc2ccco2)c1-c1ccccc1 ZINC000012553690 556037501 /nfs/dbraw/zinc/03/75/01/556037501.db2.gz RFVLXWQFOKFYIA-UHFFFAOYSA-N 0 0 499.596 4.471 50 0 JIAARN CCc1nn2c(nc(CSc3nnc(-c4ccoc4C)n3-c3ccccc3)cc2=O)s1 ZINC000023275239 556037707 /nfs/dbraw/zinc/03/77/07/556037707.db2.gz JPJHOCCERPWGMH-UHFFFAOYSA-N 0 0 450.549 4.155 50 0 JIAARN CCN(CCNC(=O)c1ccc2[nH]c(Cc3ccc(NC(C)=O)cc3)nc2c1)c1ccccc1 ZINC000015863829 556038122 /nfs/dbraw/zinc/03/81/22/556038122.db2.gz CJKMOXLVFPLFIG-UHFFFAOYSA-N 0 0 455.562 4.368 50 0 JIAARN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccc(CCc2nc3ccccc3[nH]2)c1 ZINC000015863650 556038218 /nfs/dbraw/zinc/03/82/18/556038218.db2.gz PDXMQOBGGFTWDE-UHFFFAOYSA-N 0 0 452.514 4.363 50 0 JIAARN COc1ccc(-c2ccc(CCC(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)o2)cc1 ZINC000012554673 556039258 /nfs/dbraw/zinc/03/92/58/556039258.db2.gz QCRYJGPEPMIDMV-UHFFFAOYSA-N 0 0 491.588 4.200 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)COC(=O)C=C(C)C)ccc1Cl ZINC000012555831 556041673 /nfs/dbraw/zinc/04/16/73/556041673.db2.gz MCITWZWFRLHNAV-UHFFFAOYSA-N 0 0 450.944 4.003 50 0 JIAARN COc1ccc([C@H](NC(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)c2nccn2C)cc1 ZINC000012556834 556043547 /nfs/dbraw/zinc/04/35/47/556043547.db2.gz WATLUALVMQREOB-DEOSSOPVSA-N 0 0 460.582 4.210 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ncccc4o3)cc2)c(C)c1 ZINC000015867775 556043897 /nfs/dbraw/zinc/04/38/97/556043897.db2.gz OLCQPRAQXQBDHR-UHFFFAOYSA-N 0 0 468.560 4.371 50 0 JIAARN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=S)N[C@@H]1c1ccc(O)c(OC)c1 ZINC000012557378 556045243 /nfs/dbraw/zinc/04/52/43/556045243.db2.gz PZUJTCMMPGVJAW-GOSISDBHSA-N 0 0 452.454 4.302 50 0 JIAARN C[C@H](Oc1ccccc1)C(=O)N1CCN(c2nccc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000023335639 556045262 /nfs/dbraw/zinc/04/52/62/556045262.db2.gz WLXVWVUCJGNMGQ-KRWDZBQOSA-N 0 0 456.468 4.279 50 0 JIAARN COc1ccc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1OC ZINC000023386015 556050939 /nfs/dbraw/zinc/05/09/39/556050939.db2.gz XSVJDYWXMCJYDY-FUHWJXTLSA-N 0 0 458.942 4.082 50 0 JIAARN CC(C)(CNC(=O)Cc1sc(Nc2ccccc2)nc1-c1ccccc1)N1CCOCC1 ZINC000023425905 556053638 /nfs/dbraw/zinc/05/36/38/556053638.db2.gz RRQGBGFRXHRCOS-UHFFFAOYSA-N 0 0 450.608 4.323 50 0 JIAARN CCOC(=O)c1nn(-c2ccc(C(=O)NCc3cc(F)cc(F)c3)cc2)c(C)c1Br ZINC000023429250 556055207 /nfs/dbraw/zinc/05/52/07/556055207.db2.gz LIPZLZSNYNXYGY-UHFFFAOYSA-N 0 0 478.293 4.328 50 0 JIAARN CC[C@@H](C(=O)N1CCN(c2nccc(-c3cc(OC)c(OC)c(OC)c3)n2)CC1)c1ccccc1 ZINC000023441696 556060596 /nfs/dbraw/zinc/06/05/96/556060596.db2.gz MDQPWXUHQFJJDG-OAQYLSRUSA-N 0 0 476.577 4.012 50 0 JIAARN O=C(Cn1nc(C(=O)Nc2ccccc2)ccc1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000015884296 556060788 /nfs/dbraw/zinc/06/07/88/556060788.db2.gz LIAOEOIEPNOGJH-UHFFFAOYSA-N 0 0 484.356 4.172 50 0 JIAARN O=C(Cc1ccsc1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000012565202 556061738 /nfs/dbraw/zinc/06/17/38/556061738.db2.gz FALDYTTZZCGHHL-UHFFFAOYSA-N 0 0 492.022 4.220 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(S(=O)(=O)c3ccccc3C)CC2)n1 ZINC000023448084 556063806 /nfs/dbraw/zinc/06/38/06/556063806.db2.gz UHVCQHXRZHBHGW-UHFFFAOYSA-N 0 0 471.554 4.200 50 0 JIAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000015919032 556066438 /nfs/dbraw/zinc/06/64/38/556066438.db2.gz SVSAIWPGVMJTGK-UHFFFAOYSA-N 0 0 494.285 4.042 50 0 JIAARN COc1cccc(CSc2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2C[C@H]2CCCO2)c1 ZINC000023454799 556067732 /nfs/dbraw/zinc/06/77/32/556067732.db2.gz GLXZUHHIBOQJIW-HXUWFJFHSA-N 0 0 487.647 4.301 50 0 JIAARN COc1ccccc1/N=c1\scc(-c2ccc(I)cc2)n1CCCO ZINC000015931583 556070387 /nfs/dbraw/zinc/07/03/87/556070387.db2.gz CEDWPPPEJSTXCV-VZCXRCSSSA-N 0 0 466.344 4.445 50 0 JIAARN Cc1ccc(NC(=O)CSCC(=O)O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)c(C)c1 ZINC000012569242 556071421 /nfs/dbraw/zinc/07/14/21/556071421.db2.gz OFGBQDYTJNLWCX-AVRDEDQJSA-N 0 0 454.592 4.101 50 0 JIAARN CCOC(=O)c1ccc2c(c1)nc(SCC(=O)NCc1ccccn1)n2Cc1ccccc1 ZINC000023460608 556071701 /nfs/dbraw/zinc/07/17/01/556071701.db2.gz MPZLESCSZVQWCZ-UHFFFAOYSA-N 0 0 460.559 4.065 50 0 JIAARN Cc1sc2nc(CN3CCOCC3)nc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)c2c1C ZINC000023466503 556073100 /nfs/dbraw/zinc/07/31/00/556073100.db2.gz PGKAOORCFCSUIJ-UHFFFAOYSA-N 0 0 467.639 4.141 50 0 JIAARN COc1ccc(OC)c(CN2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)CC2)c1 ZINC000023470700 556073983 /nfs/dbraw/zinc/07/39/83/556073983.db2.gz KFHJTHJHSYMXTA-HNNXBMFYSA-N 0 0 452.382 4.155 50 0 JIAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2cccc(OC)c2)S3)CC1 ZINC000015936815 556074479 /nfs/dbraw/zinc/07/44/79/556074479.db2.gz SUFQLPPNZWGQKW-HAHDFKILSA-N 0 0 495.601 4.156 50 0 JIAARN O=C(Nc1ccc(Br)cc1Br)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000015940656 556075975 /nfs/dbraw/zinc/07/59/75/556075975.db2.gz COJPVALZWYTQTF-ZDUSSCGKSA-N 0 0 452.146 4.199 50 0 JIAARN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)C(=O)CCNC(=O)Nc1ccc(OC)cc1 ZINC000023507122 556076074 /nfs/dbraw/zinc/07/60/74/556076074.db2.gz HOJGATLXCBABKK-NRFANRHFSA-N 0 0 461.946 4.013 50 0 JIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NC[C@@H](C)c1ccccc1)nc2C ZINC000015942955 556078298 /nfs/dbraw/zinc/07/82/98/556078298.db2.gz HZNKNJCWLQLQMJ-LJQANCHMSA-N 0 0 457.578 4.208 50 0 JIAARN CCn1c(CN[C@H](c2cccs2)c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012579903 556078454 /nfs/dbraw/zinc/07/84/54/556078454.db2.gz KKFYZWBKHZVSFP-VWLOTQADSA-N 0 0 496.658 4.018 50 0 JIAARN CCC[C@@H](NC(=O)[C@@H](C)Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)c1ccccc1 ZINC000023562841 556078862 /nfs/dbraw/zinc/07/88/62/556078862.db2.gz ZVUNXELOIKHKSY-RDTXWAMCSA-N 0 0 479.606 4.243 50 0 JIAARN COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3cccc4cc(C)cnc43)CC2)cc1 ZINC000023698676 556083959 /nfs/dbraw/zinc/08/39/59/556083959.db2.gz YIXBNMSLHBLVPP-DEOSSOPVSA-N 0 0 493.629 4.316 50 0 JIAARN Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)C(=O)N1 ZINC000015951913 556086748 /nfs/dbraw/zinc/08/67/48/556086748.db2.gz BNUPADFFDNFTRH-QDPGVEIFSA-N 0 0 483.572 4.122 50 0 JIAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1csc(Nc3ccccc3)n1)C2=O ZINC000023845328 556091444 /nfs/dbraw/zinc/09/14/44/556091444.db2.gz MXCPYUWKXWQQKM-IQMFZBJNSA-N 0 0 456.568 4.067 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2coc3cc(OC)ccc23)c1 ZINC000015962056 556093167 /nfs/dbraw/zinc/09/31/67/556093167.db2.gz KYNBSXMGOZWCFZ-UHFFFAOYSA-N 0 0 485.606 4.253 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC1CCCCC1 ZINC000015971416 556096648 /nfs/dbraw/zinc/09/66/48/556096648.db2.gz WBSYZTWNFIGSSA-OKFIXCSWSA-N 0 0 457.640 4.015 50 0 JIAARN CCC1CCC2(CC1)NC(=O)N(CN1CCc3cc(OC)c(OC)cc3[C@@H]1c1ccccc1)C2=O ZINC000023882130 556098586 /nfs/dbraw/zinc/09/85/86/556098586.db2.gz YYOCHNCJWRZXKN-GPYVYJEHSA-N 0 0 477.605 4.500 50 0 JIAARN CCN(CC)C(=S)SCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C ZINC000012657180 556099417 /nfs/dbraw/zinc/09/94/17/556099417.db2.gz WEZGTTICSWUZNC-QIQNXJQHSA-N 0 0 493.735 4.149 50 0 biogenic JIAARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000023908351 556100004 /nfs/dbraw/zinc/10/00/04/556100004.db2.gz SHXKIIYMOLQAQU-HXUWFJFHSA-N 0 0 461.635 4.029 50 0 JIAARN O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023968153 556108131 /nfs/dbraw/zinc/10/81/31/556108131.db2.gz XAIPJEVHUHNONU-UHFFFAOYSA-N 0 0 489.641 4.019 50 0 JIAARN COc1ccc(CN2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)cc1OC ZINC000023968194 556108229 /nfs/dbraw/zinc/10/82/29/556108229.db2.gz GOTOJJGFSONDLP-UHFFFAOYSA-N 0 0 456.546 4.001 50 0 JIAARN O=C(N[C@H]1CCCc2ccccc21)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000023968538 556109332 /nfs/dbraw/zinc/10/93/32/556109332.db2.gz JIESAOBYPVLUEQ-FCHUYYIVSA-N 0 0 452.601 4.058 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccc(CN2CCOCC2)cc1 ZINC000023983197 556111122 /nfs/dbraw/zinc/11/11/22/556111122.db2.gz CSHMBSWGFIAEFY-UHFFFAOYSA-N 0 0 489.601 4.149 50 0 JIAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000023983422 556111369 /nfs/dbraw/zinc/11/13/69/556111369.db2.gz MTEHICHLPRSOJY-AREMUKBSSA-N 0 0 456.521 4.239 50 0 JIAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2nc3ccccc3s2)CC1)c1cccs1 ZINC000023983581 556111826 /nfs/dbraw/zinc/11/18/26/556111826.db2.gz GVPHKHUDCLQQQJ-NRFANRHFSA-N 0 0 490.654 4.043 50 0 JIAARN NC(=O)c1ccc(Oc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)cc1 ZINC000023989419 556113163 /nfs/dbraw/zinc/11/31/63/556113163.db2.gz MJOVLBXOGQMRBI-UHFFFAOYSA-N 0 0 452.561 4.143 50 0 JIAARN COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4N=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000016038152 556120628 /nfs/dbraw/zinc/12/06/28/556120628.db2.gz UUBOYYYPLWFROF-KEZOAJOQSA-N 0 0 485.927 4.110 50 0 JIAARN COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccccc2)cc(OC)c1OC ZINC000016043012 556122548 /nfs/dbraw/zinc/12/25/48/556122548.db2.gz UCEGJTAQUBKYER-UGIARPQZSA-N 0 0 454.567 4.019 50 0 biogenic JIAARN NC(=O)[C@@H]1CCCN(C(=O)CSc2ncc(-c3ccccc3)n2-c2cccc(Cl)c2)C1 ZINC000024172209 556124736 /nfs/dbraw/zinc/12/47/36/556124736.db2.gz GJLBISFTVVCEOA-QGZVFWFLSA-N 0 0 454.983 4.009 50 0 JIAARN CN(C)[C@@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1c(F)cccc1Cl ZINC000012908129 556127168 /nfs/dbraw/zinc/12/71/68/556127168.db2.gz IOSJUQHBGZJFOJ-NRFANRHFSA-N 0 0 464.928 4.211 50 0 JIAARN CCOc1cc2c(cc1CNC(=O)c1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)O[C@H](C)C2 ZINC000024317619 556129330 /nfs/dbraw/zinc/12/93/30/556129330.db2.gz CCOPUVIANZOTNT-MRXNPFEDSA-N 0 0 493.025 4.167 50 0 JIAARN COc1cccc([C@H](CNC(=O)Cc2cn3ccccc3n2)c2c[nH]c3ccccc32)c1OC ZINC000024441751 556131156 /nfs/dbraw/zinc/13/11/56/556131156.db2.gz QKNHALKDHAOZMP-QFIPXVFZSA-N 0 0 454.530 4.324 50 0 JIAARN O=S(=O)(c1ccc(N2CCN(Cc3ccsc3)CC2)nc1)N1CCC(Cc2ccccc2)CC1 ZINC000012912884 556132133 /nfs/dbraw/zinc/13/21/33/556132133.db2.gz KTSGNTWKCREHSL-UHFFFAOYSA-N 0 0 496.702 4.109 50 0 JIAARN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000024528017 556134332 /nfs/dbraw/zinc/13/43/32/556134332.db2.gz ZYQMNGSTLXTNIV-KRWDZBQOSA-N 0 0 487.931 4.005 50 0 JIAARN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N(C)[C@@H](C)c3cccs3)c2c1C ZINC000024528309 556134606 /nfs/dbraw/zinc/13/46/06/556134606.db2.gz PEFKVMXLMAASLH-HNNXBMFYSA-N 0 0 460.625 4.268 50 0 JIAARN O=C(Nc1ccc(F)cc1F)N1CCN(Cc2nc(=O)c3c(-c4cccs4)csc3[nH]2)CC1 ZINC000024573998 556136846 /nfs/dbraw/zinc/13/68/46/556136846.db2.gz TWWHTYQTKFVNFH-UHFFFAOYSA-N 0 0 487.557 4.341 50 0 JIAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000024607871 556139307 /nfs/dbraw/zinc/13/93/07/556139307.db2.gz QTAOMZBFJDSACB-MRXNPFEDSA-N 0 0 481.549 4.168 50 0 JIAARN Cc1ccc(CSCCNC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000024607902 556139325 /nfs/dbraw/zinc/13/93/25/556139325.db2.gz MAUYXXZUGYUZHW-UHFFFAOYSA-N 0 0 470.591 4.359 50 0 JIAARN CCN(CC)C(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608782 556139881 /nfs/dbraw/zinc/13/98/81/556139881.db2.gz BCJDGVSTXISTIG-UHFFFAOYSA-N 0 0 492.041 4.003 50 0 JIAARN O=C(NC(c1ccccc1)c1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000024609762 556140225 /nfs/dbraw/zinc/14/02/25/556140225.db2.gz FIPADZSLEYAQHG-UHFFFAOYSA-N 0 0 466.578 4.273 50 0 JIAARN Cc1cc(-c2csc(NC(=O)c3ccc(CN4CCOCC4)cc3)n2)c(C)n1C[C@@H]1CCCO1 ZINC000012922261 556140815 /nfs/dbraw/zinc/14/08/15/556140815.db2.gz JNJVMLSLLFZADH-QFIPXVFZSA-N 0 0 480.634 4.492 50 0 JIAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610833 556140921 /nfs/dbraw/zinc/14/09/21/556140921.db2.gz XMNOIXUSDGTFCQ-QGZVFWFLSA-N 0 0 492.041 4.049 50 0 JIAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000024611014 556140939 /nfs/dbraw/zinc/14/09/39/556140939.db2.gz IPHLCFZVTVRGNR-UHFFFAOYSA-N 0 0 454.636 4.018 50 0 JIAARN COC(=O)[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3cc(Cl)ccc3nc2C)CC1 ZINC000012922558 556141328 /nfs/dbraw/zinc/14/13/28/556141328.db2.gz ZUSLYALVEWYMJB-QFIPXVFZSA-N 0 0 455.917 4.008 50 0 JIAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000024647913 556143686 /nfs/dbraw/zinc/14/36/86/556143686.db2.gz GZLULSPJOPSZJP-UHFFFAOYSA-N 0 0 451.889 4.166 50 0 JIAARN CCCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C1=C([n+]2cc(C)cc(C)c2)C(=O)N(C(C)C)C1=O ZINC000016571163 556143984 /nfs/dbraw/zinc/14/39/84/556143984.db2.gz HBNBFUHYYFZHLR-UHFFFAOYSA-O 0 0 479.988 4.234 50 0 JIAARN Cc1csc(=O)n1CC(=O)OCc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2 ZINC000012926498 556144571 /nfs/dbraw/zinc/14/45/71/556144571.db2.gz DXUXOTULFFCBSY-HXUWFJFHSA-N 0 0 476.348 4.332 50 0 JIAARN O=C(NCCCn1ccc2ccccc21)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000024705217 556146248 /nfs/dbraw/zinc/14/62/48/556146248.db2.gz JFOSLIJOQGQPLH-UHFFFAOYSA-N 0 0 491.569 4.033 50 0 JIAARN CN(c1ccc(OCC(=O)Nc2cccc(F)c2)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000024777940 556155185 /nfs/dbraw/zinc/15/51/85/556155185.db2.gz NNOMCTGULBTXID-UHFFFAOYSA-N 0 0 493.354 4.431 50 0 JIAARN C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)Cc2csc(-c3ccsc3)n2)CC1 ZINC000024821842 556156594 /nfs/dbraw/zinc/15/65/94/556156594.db2.gz RZCPCGIKEDNZLS-MRXNPFEDSA-N 0 0 465.604 4.370 50 0 JIAARN CCOC(=O)c1c(NC(=O)CN2CCC3(CC2)OCCO3)sc(Cl)c1-c1ccccc1 ZINC000024829849 556157805 /nfs/dbraw/zinc/15/78/05/556157805.db2.gz LEDDLVAOBOFCCL-UHFFFAOYSA-N 0 0 464.971 4.023 50 0 JIAARN CCOc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000012948086 556158593 /nfs/dbraw/zinc/15/85/93/556158593.db2.gz DISLINCDDZTYPR-GOSISDBHSA-N 0 0 496.427 4.213 50 0 JIAARN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(C(=O)CCc2nnc(-c3ccsc3)o2)CC1 ZINC000024868928 556161526 /nfs/dbraw/zinc/16/15/26/556161526.db2.gz FSKPBEQWKPGKFM-HNNXBMFYSA-N 0 0 498.996 4.340 50 0 JIAARN COc1ccc(NC(=O)Cn2c3ccc(C)cc3c3ncn(Cc4ccccc4)c(=O)c32)cc1OC ZINC000016841801 556163256 /nfs/dbraw/zinc/16/32/56/556163256.db2.gz QRCTWHJSTMDIRI-UHFFFAOYSA-N 0 0 482.540 4.364 50 0 JIAARN Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Br)cc5)no4)ccn3n2)cc1 ZINC000016841966 556163604 /nfs/dbraw/zinc/16/36/04/556163604.db2.gz VKWAHSKZTWQAGC-UHFFFAOYSA-N 0 0 462.307 4.332 50 0 JIAARN CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2ccccc2[S@@](=O)CC)sc2c1CCCC2 ZINC000024941814 556164692 /nfs/dbraw/zinc/16/46/92/556164692.db2.gz FFRJPPQCEOXRMD-ORCIVFGKSA-N 0 0 477.604 4.115 50 0 JIAARN O=c1[nH]nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)n2nc(-c3ccco3)cc12 ZINC000016844182 556165943 /nfs/dbraw/zinc/16/59/43/556165943.db2.gz FFVPCCLAJQHOHO-UHFFFAOYSA-N 0 0 460.397 4.039 50 0 JIAARN COc1ccc(Cn2cnc3c4cc(F)ccc4n(CC(=O)Nc4ccc(F)cc4)c3c2=O)cc1 ZINC000016845273 556167014 /nfs/dbraw/zinc/16/70/14/556167014.db2.gz GOJRRFQTXFNENO-UHFFFAOYSA-N 0 0 474.467 4.325 50 0 JIAARN CCc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000016845564 556167607 /nfs/dbraw/zinc/16/76/07/556167607.db2.gz ZIXNKTZGADJBFG-UHFFFAOYSA-N 0 0 497.686 4.368 50 0 JIAARN COc1ccc(-c2ccc(=O)n(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)n2)cc1OC ZINC000016845656 556167613 /nfs/dbraw/zinc/16/76/13/556167613.db2.gz KEGQFDLHPZLACW-UHFFFAOYSA-N 0 0 458.396 4.045 50 0 JIAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(-n4cncn4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000024979395 556167741 /nfs/dbraw/zinc/16/77/41/556167741.db2.gz VEZMLOCVKLILPK-SQHAQQRYSA-N 0 0 497.555 4.408 50 0 JIAARN CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000024979239 556167764 /nfs/dbraw/zinc/16/77/64/556167764.db2.gz CVMGQJFZAKOMHA-GOSISDBHSA-N 0 0 472.607 4.039 50 0 JIAARN COc1ccccc1CNC(=O)CSc1nc2c(-c3ccc(C)cc3)csc2c(=O)n1C ZINC000016846018 556167847 /nfs/dbraw/zinc/16/78/47/556167847.db2.gz OGCUMQFQPRUKSD-UHFFFAOYSA-N 0 0 465.600 4.388 50 0 JIAARN NC(=O)CCN(Cc1ccccc1)C(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000024986895 556169914 /nfs/dbraw/zinc/16/99/14/556169914.db2.gz QNYWOVQRQVGXRS-UHFFFAOYSA-N 0 0 480.590 4.494 50 0 JIAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012979655 556172689 /nfs/dbraw/zinc/17/26/89/556172689.db2.gz GVIOQAFFTPXLAW-UHFFFAOYSA-N 0 0 481.603 4.132 50 0 JIAARN Cc1noc(C)c1COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000012979932 556173031 /nfs/dbraw/zinc/17/30/31/556173031.db2.gz AYODELFFMRYBJR-UHFFFAOYSA-N 0 0 497.617 4.141 50 0 JIAARN O[C@@H](c1ccccc1)C1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000012980050 556173075 /nfs/dbraw/zinc/17/30/75/556173075.db2.gz DXCDEBWGBFALFT-VWLOTQADSA-N 0 0 478.662 4.352 50 0 JIAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2C[C@@H](O)COc2ccc(C)cc2)CC1=O ZINC000016902661 556173828 /nfs/dbraw/zinc/17/38/28/556173828.db2.gz HVXKQOFRFGUVEJ-NHCUHLMSSA-N 0 0 471.557 4.314 50 0 JIAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2C[C@@H](O)COc2ccc(C)cc2)CC1=O ZINC000016902658 556173833 /nfs/dbraw/zinc/17/38/33/556173833.db2.gz HVXKQOFRFGUVEJ-LEWJYISDSA-N 0 0 471.557 4.314 50 0 JIAARN COc1cc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc(OC)c1Br ZINC000012981475 556174555 /nfs/dbraw/zinc/17/45/55/556174555.db2.gz PDLNUDNNHVONIV-UHFFFAOYSA-N 0 0 454.390 4.407 50 0 JIAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N(Cc1ccccc1)C1CC1 ZINC000025050650 556174567 /nfs/dbraw/zinc/17/45/67/556174567.db2.gz RBPHRAXMNFRIMI-GOSISDBHSA-N 0 0 477.424 4.041 50 0 JIAARN COc1ccccc1OC[C@@H](O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000016903049 556175370 /nfs/dbraw/zinc/17/53/70/556175370.db2.gz CQIRJEFNESPONS-UNMCSNQZSA-N 0 0 471.557 4.314 50 0 JIAARN COc1ccccc1OC[C@@H](O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000016903055 556175374 /nfs/dbraw/zinc/17/53/74/556175374.db2.gz CQIRJEFNESPONS-IRLDBZIGSA-N 0 0 471.557 4.314 50 0 JIAARN Cc1cccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000016903251 556175699 /nfs/dbraw/zinc/17/56/99/556175699.db2.gz MLVBQNHKCAOAMJ-KNQAVFIVSA-N 0 0 459.521 4.444 50 0 JIAARN O=C(CN1CCc2sccc2[C@@H]1C1CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000025061558 556177460 /nfs/dbraw/zinc/17/74/60/556177460.db2.gz CBYBOOKTTGSTII-QFIPXVFZSA-N 0 0 480.055 4.134 50 0 JIAARN Cc1cc(S(=O)(=O)N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)ccc1Br ZINC000012984815 556178240 /nfs/dbraw/zinc/17/82/40/556178240.db2.gz JEJAXBWRGMQPCT-UHFFFAOYSA-N 0 0 494.386 4.058 50 0 JIAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4ccco4)nc4ccccc43)CC2)nc1 ZINC000025087576 556179103 /nfs/dbraw/zinc/17/91/03/556179103.db2.gz LUIORDQNNWHWRY-UHFFFAOYSA-N 0 0 456.502 4.029 50 0 JIAARN Cc1sc2nc(COC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)[nH]c(=O)c2c1C ZINC000012985734 556179295 /nfs/dbraw/zinc/17/92/95/556179295.db2.gz HTEXANPPPSFTNL-IBGZPJMESA-N 0 0 460.511 4.413 50 0 JIAARN CSCC[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000025106816 556179446 /nfs/dbraw/zinc/17/94/46/556179446.db2.gz POYRIGWRVMCGIK-MRXNPFEDSA-N 0 0 450.923 4.357 50 0 JIAARN O=C(NCCc1c[nH]c2ccccc12)[C@@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000025108018 556179716 /nfs/dbraw/zinc/17/97/16/556179716.db2.gz RRPPNDTZAUTCBW-XMMPIXPASA-N 0 0 481.556 4.256 50 0 JIAARN Cc1sc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)nc1-c1ccc(F)c(F)c1 ZINC000012986341 556180200 /nfs/dbraw/zinc/18/02/00/556180200.db2.gz BKEJNZUWHDZRQM-LLVKDONJSA-N 0 0 463.531 4.360 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C2CC2)c1 ZINC000016944345 556182185 /nfs/dbraw/zinc/18/21/85/556182185.db2.gz KANTWYQWFHBHFN-UHFFFAOYSA-N 0 0 476.558 4.475 50 0 JIAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000025144058 556182856 /nfs/dbraw/zinc/18/28/56/556182856.db2.gz YBFFEOAUBVIHLU-UHFFFAOYSA-N 0 0 454.456 4.145 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3ccnn3C3CCCCC3)ccc2Cl)C[C@@H](C)O1 ZINC000012989053 556183179 /nfs/dbraw/zinc/18/31/79/556183179.db2.gz WTGOZGNPODVVTL-HZPDHXFCSA-N 0 0 481.018 4.092 50 0 JIAARN CCCCN1C(=O)C[C@H](C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)[C@@H]1c1ccc(OC)cc1 ZINC000012991036 556183828 /nfs/dbraw/zinc/18/38/28/556183828.db2.gz YKEBBJKIFJEVIE-AVRDEDQJSA-N 0 0 478.998 4.081 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)CCc4ccccc4)ccc32)cc1 ZINC000016954414 556185412 /nfs/dbraw/zinc/18/54/12/556185412.db2.gz XSGNEJYDTGXMIK-UHFFFAOYSA-N 0 0 450.560 4.408 50 0 JIAARN Cc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Br)ccc1F ZINC000012994900 556187068 /nfs/dbraw/zinc/18/70/68/556187068.db2.gz TZOGWXNZFJIMHW-UHFFFAOYSA-N 0 0 469.376 4.001 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCSc2ccccc21 ZINC000012995081 556187475 /nfs/dbraw/zinc/18/74/75/556187475.db2.gz YTAXOWZBVKDARZ-UHFFFAOYSA-N 0 0 451.013 4.270 50 0 JIAARN O=C(c1cccc(Cl)c1)N1CCN(c2nc3nccc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 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COc1cc(NC(=O)c2cccc(OCc3csc(C)n3)c2)c(C(=O)N(C)C)cc1OC ZINC000025219426 556205379 /nfs/dbraw/zinc/20/53/79/556205379.db2.gz XXHDGARSSQJMOT-UHFFFAOYSA-N 0 0 455.536 4.002 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c1 ZINC000017026582 556206509 /nfs/dbraw/zinc/20/65/09/556206509.db2.gz AVQODNIKWZSKNS-UHFFFAOYSA-N 0 0 456.589 4.246 50 0 JIAARN Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)c2cc1C ZINC000025286217 556207555 /nfs/dbraw/zinc/20/75/55/556207555.db2.gz UMTIXPCKDYKOIU-UHFFFAOYSA-N 0 0 468.619 4.150 50 0 JIAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cc(Br)ccc1OC(F)F ZINC000025328971 556208962 /nfs/dbraw/zinc/20/89/62/556208962.db2.gz SWXIHMMGENMSBW-INIZCTEOSA-N 0 0 460.271 4.021 50 0 JIAARN COc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000017050698 556211390 /nfs/dbraw/zinc/21/13/90/556211390.db2.gz WYDJLBBPRCNHIB-UHFFFAOYSA-N 0 0 480.586 4.335 50 0 JIAARN COc1cccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(C)cc2)c1OC ZINC000017050743 556211778 /nfs/dbraw/zinc/21/17/78/556211778.db2.gz MKRYEUJLKVAPIJ-UHFFFAOYSA-N 0 0 466.559 4.406 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(C)cc3)cc(C(=O)NCc3ccc(F)cc3)c12 ZINC000017051398 556212676 /nfs/dbraw/zinc/21/26/76/556212676.db2.gz ZPSRBXMCMCOFLS-NRFANRHFSA-N 0 0 492.576 4.144 50 0 JIAARN Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccccc3)CC2)cc1C ZINC000017052573 556213303 /nfs/dbraw/zinc/21/33/03/556213303.db2.gz WQCLUXKAKROBNK-VWLOTQADSA-N 0 0 457.574 4.325 50 0 JIAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000025467145 556217291 /nfs/dbraw/zinc/21/72/91/556217291.db2.gz KMZJZDVJIKULTN-AWEZNQCLSA-N 0 0 453.593 4.262 50 0 JIAARN Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3cc(C(C)C)ccc3C)CC2)n1 ZINC000017121368 556219496 /nfs/dbraw/zinc/21/94/96/556219496.db2.gz CABLUGCFXWLKEL-UHFFFAOYSA-N 0 0 465.623 4.471 50 0 JIAARN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)n1Cc1ccccc1 ZINC000017130094 556220862 /nfs/dbraw/zinc/22/08/62/556220862.db2.gz 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O=C(NCc1c(-c2ccccc2)nc2n1CCS2)c1ccc(I)cc1 ZINC000017191484 556236956 /nfs/dbraw/zinc/23/69/56/556236956.db2.gz KIXAFAYLPAOASK-UHFFFAOYSA-N 0 0 461.328 4.190 50 0 JIAARN CS(=O)(=O)N1CCCc2cc(C(=O)N3CCc4sccc4[C@@H]3c3ccccc3)ccc21 ZINC000025899324 556238271 /nfs/dbraw/zinc/23/82/71/556238271.db2.gz QETREUAICWYMAH-QHCPKHFHSA-N 0 0 452.601 4.248 50 0 JIAARN CS(=O)(=O)N1CCCc2cc(C(=O)N3CCc4sccc4[C@H]3c3ccccc3)ccc21 ZINC000025899329 556238292 /nfs/dbraw/zinc/23/82/92/556238292.db2.gz QETREUAICWYMAH-HSZRJFAPSA-N 0 0 452.601 4.248 50 0 JIAARN O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000017200606 556239510 /nfs/dbraw/zinc/23/95/10/556239510.db2.gz WLTFMJHZDKBMDR-UHFFFAOYSA-N 0 0 476.583 4.204 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)s1 ZINC000026055693 556240585 /nfs/dbraw/zinc/24/05/85/556240585.db2.gz XBDBEBIYEUXTAD-UHFFFAOYSA-N 0 0 469.563 4.283 50 0 JIAARN COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)sc2c1 ZINC000017244904 556245540 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CKRZJGZZIUZXAA-CYBMUJFWSA-N 0 0 461.315 4.407 50 0 JIAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000017306050 556253628 /nfs/dbraw/zinc/25/36/28/556253628.db2.gz MAKUJGOMZSLTNY-LJQANCHMSA-N 0 0 454.534 4.151 50 0 JIAARN C[C@@H](OC(=O)c1cccc(OC[C@H]2CCCO2)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000026443917 556253775 /nfs/dbraw/zinc/25/37/75/556253775.db2.gz WBWZUSBVJJOURI-NTKDMRAZSA-N 0 0 452.551 4.419 50 0 JIAARN CCOC(=O)c1c(NC(=O)CN(C)Cc2ccc(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 ZINC000013058587 556254214 /nfs/dbraw/zinc/25/42/14/556254214.db2.gz PEOSSJYYSSILSF-OAHLLOKOSA-N 0 0 460.596 4.137 50 0 JIAARN CCOc1ccc(NC(=O)Cn2c3ccccc3c3ncn(Cc4ccccc4)c(=O)c32)cc1 ZINC000017307920 556255706 /nfs/dbraw/zinc/25/57/06/556255706.db2.gz CETIVUFJFSLPOX-UHFFFAOYSA-N 0 0 452.514 4.437 50 0 JIAARN Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SCC(=O)NCc2ccco2)c1 ZINC000013062220 556257494 /nfs/dbraw/zinc/25/74/94/556257494.db2.gz RWRVLWYXDXTYGS-QGZVFWFLSA-N 0 0 452.532 4.181 50 0 JIAARN CCOc1ccc(CCNC(=O)Cn2cnc3c(sc4cccc(Cl)c43)c2=O)cc1OCC ZINC000017315580 556257681 /nfs/dbraw/zinc/25/76/81/556257681.db2.gz GIIUNVIXBSJYAH-UHFFFAOYSA-N 0 0 485.993 4.421 50 0 JIAARN CCc1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc([C@H](C)CC)cc3)CC2)cc1 ZINC000013062887 556258428 /nfs/dbraw/zinc/25/84/28/556258428.db2.gz VOCPKUBBWCIHON-WOJBJXKFSA-N 0 0 457.640 4.096 50 0 JIAARN Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)o2)c1 ZINC000017529436 556261736 /nfs/dbraw/zinc/26/17/36/556261736.db2.gz KMNLDGBTCCQEIK-GOSISDBHSA-N 0 0 469.563 4.446 50 0 JIAARN O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000017529455 556261784 /nfs/dbraw/zinc/26/17/84/556261784.db2.gz WFXLQVKPZSVLLF-CQSZACIVSA-N 0 0 490.430 4.323 50 0 JIAARN COCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000017674100 556263797 /nfs/dbraw/zinc/26/37/97/556263797.db2.gz PRIRYPDWSRSZFZ-HXUWFJFHSA-N 0 0 457.983 4.152 50 0 JIAARN CCCCCCOc1ccc(/C=c2/sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)cc1OC ZINC000026896326 556265512 /nfs/dbraw/zinc/26/55/12/556265512.db2.gz WBSKDDGXOHHQTJ-WWOVWOHCSA-N 0 0 493.585 4.179 50 0 JIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013069793 556266809 /nfs/dbraw/zinc/26/68/09/556266809.db2.gz ZOSNJJJCGXUPSP-MRXNPFEDSA-N 0 0 490.585 4.287 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)CC(=O)Nc3cccc(C)c3C)cc2)cc1 ZINC000013072703 556271502 /nfs/dbraw/zinc/27/15/02/556271502.db2.gz GZAYFJFCUJLFHF-UHFFFAOYSA-N 0 0 465.575 4.123 50 0 JIAARN CCn1c(-c2cccs2)nn(CN2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1=S ZINC000013073621 556273734 /nfs/dbraw/zinc/27/37/34/556273734.db2.gz HAKYVYDLYIUIEG-UHFFFAOYSA-N 0 0 491.708 4.052 50 0 JIAARN CN(C)C(=O)c1cccc(NC(=O)CN(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000027205515 556275061 /nfs/dbraw/zinc/27/50/61/556275061.db2.gz DABQEVVXOXRJNY-UHFFFAOYSA-N 0 0 467.573 4.312 50 0 JIAARN CN(Cc1ccc(F)cc1)C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc21 ZINC000018009755 556276143 /nfs/dbraw/zinc/27/61/43/556276143.db2.gz JOILKZSHTACNBK-UHFFFAOYSA-N 0 0 483.496 4.292 50 0 JIAARN CCOc1ccc(OCCOC(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 ZINC000013075100 556276421 /nfs/dbraw/zinc/27/64/21/556276421.db2.gz DLBCBZLJEKMTJC-UHFFFAOYSA-N 0 0 483.492 4.486 50 0 JIAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000018011807 556276527 /nfs/dbraw/zinc/27/65/27/556276527.db2.gz CAWPHLXWZQCABD-UHFFFAOYSA-N 0 0 466.847 4.443 50 0 JIAARN COc1ccc(-c2nc(C)c(C(=O)N(C)CC(=O)Nc3cccc(C)c3C)s2)cc1OC ZINC000018041939 556279149 /nfs/dbraw/zinc/27/91/49/556279149.db2.gz VFZYCGVAWATTMP-UHFFFAOYSA-N 0 0 453.564 4.463 50 0 JIAARN O=C(CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1)N1CCOCC1 ZINC000027489024 556280075 /nfs/dbraw/zinc/28/00/75/556280075.db2.gz LHLHQSABQJCCRE-HHHXNRCGSA-N 0 0 451.526 4.239 50 0 JIAARN COc1cc(OC)cc(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(Br)cc2)c1 ZINC000027527457 556288143 /nfs/dbraw/zinc/28/81/43/556288143.db2.gz LCWUYOVDKPZDLQ-UHFFFAOYSA-N 0 0 480.318 4.227 50 0 JIAARN CCOC(=O)C1=C(COC(=O)c2c(C)onc2-c2ccccc2Cl)NC(=O)N[C@@H]1c1ccccc1 ZINC000013096000 556289341 /nfs/dbraw/zinc/28/93/41/556289341.db2.gz ZQNRNWBGOKVJHF-OAQYLSRUSA-N 0 0 495.919 4.332 50 0 JIAARN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)cc1C ZINC000013096263 556290206 /nfs/dbraw/zinc/29/02/06/556290206.db2.gz VUSPLJJZDUQZIE-DEOSSOPVSA-N 0 0 488.556 4.479 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000013096392 556290562 /nfs/dbraw/zinc/29/05/62/556290562.db2.gz MWVQWPGYOGADKY-UHFFFAOYSA-N 0 0 473.602 4.326 50 0 JIAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1nn(CC(C)C)c(=O)c2ccccc21 ZINC000013096875 556292063 /nfs/dbraw/zinc/29/20/63/556292063.db2.gz MVALNFOWZZESBX-UHFFFAOYSA-N 0 0 474.483 4.172 50 0 JIAARN CCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccc(OC)cc3)C(=O)c3cccc(F)c3)C2=O)cc1 ZINC000018143609 556293695 /nfs/dbraw/zinc/29/36/95/556293695.db2.gz SANUZPPRZBCSJZ-RUZDIDTESA-N 0 0 490.531 4.250 50 0 JIAARN CCOC(=O)C1C(C)=Nc2nc(C)nn2[C@H]1c1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000013097497 556294223 /nfs/dbraw/zinc/29/42/23/556294223.db2.gz YAFIJPLXASUNMS-QFIPXVFZSA-N 0 0 452.486 4.165 50 0 JIAARN O=[N+]([O-])C(=CNc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000018153498 556294698 /nfs/dbraw/zinc/29/46/98/556294698.db2.gz VMEREVLFAMYVCC-NTEUORMPSA-N 0 0 467.219 4.309 50 0 JIAARN Cc1ccc(-c2cc(NC(=O)COC(=O)c3ccc(NC(N)=O)cc3)n(-c3ccccc3)n2)cc1 ZINC000013098066 556296502 /nfs/dbraw/zinc/29/65/02/556296502.db2.gz UMWHTSFHOWMQBN-UHFFFAOYSA-N 0 0 469.501 4.134 50 0 JIAARN COc1cc(CNC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)ccc1OCc1ccccc1 ZINC000018161074 556296617 /nfs/dbraw/zinc/29/66/17/556296617.db2.gz NMAOARJUDONNKK-QHCPKHFHSA-N 0 0 452.576 4.407 50 0 JIAARN COc1cc(C(=O)N[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C(C)C)cc(OC)c1OC ZINC000013098827 556298574 /nfs/dbraw/zinc/29/85/74/556298574.db2.gz LQSQWFAKNGFMHL-GOSISDBHSA-N 0 0 454.445 4.124 50 0 JIAARN COc1ccc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2C)c(OC)c1 ZINC000018179665 556298975 /nfs/dbraw/zinc/29/89/75/556298975.db2.gz TUNZUIDDKABGKM-SDHSZQHLSA-N 0 0 458.514 4.372 50 0 JIAARN CC(=O)NCc1ccc(-c2csc(NC(=O)COc3cccc4c3OC(C)(C)C4)n2)s1 ZINC000013102102 556303034 /nfs/dbraw/zinc/30/30/34/556303034.db2.gz NKLYOBIEEDXPQG-UHFFFAOYSA-N 0 0 457.577 4.239 50 0 JIAARN O=C(COc1ccccc1Cl)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000027664049 556303271 /nfs/dbraw/zinc/30/32/71/556303271.db2.gz NXWNCCACDYORJT-SFHVURJKSA-N 0 0 477.941 4.334 50 0 JIAARN COc1ccc2cc([C@@H](C)C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)ccc2c1 ZINC000013108490 556305780 /nfs/dbraw/zinc/30/57/80/556305780.db2.gz DCOKLQBBOIMIOD-OAHLLOKOSA-N 0 0 479.023 4.200 50 0 JIAARN CCCc1noc([C@@H](C)Sc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2CC)n1 ZINC000027779831 556306568 /nfs/dbraw/zinc/30/65/68/556306568.db2.gz WATLRFUHDSPFAF-CQSZACIVSA-N 0 0 451.618 4.276 50 0 JIAARN O=C(C1=C2C(O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000018203117 556309229 /nfs/dbraw/zinc/30/92/29/556309229.db2.gz YYCWKDXPSYAECO-AFXVXQJMSA-N 0 0 455.901 4.102 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C ZINC000018202627 556309322 /nfs/dbraw/zinc/30/93/22/556309322.db2.gz IHJVQRQPSUBVCP-IBGZPJMESA-N 0 0 480.634 4.291 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)CC1 ZINC000018209630 556310423 /nfs/dbraw/zinc/31/04/23/556310423.db2.gz HIBQPYNGDLRURH-QRWLVFNGSA-N 0 0 475.471 4.107 50 0 JIAARN COc1ccc([C@@H](CNS(=O)(=O)c2cc(OC)c(OC)cc2F)c2c[nH]c3ccccc32)cc1 ZINC000027945606 556310602 /nfs/dbraw/zinc/31/06/02/556310602.db2.gz DHAZAGUBLLCPLV-LJQANCHMSA-N 0 0 484.549 4.443 50 0 JIAARN CCCCNC(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000013110094 556311011 /nfs/dbraw/zinc/31/10/11/556311011.db2.gz XSNPPMPBTVQFNU-WYMLVPIESA-N 0 0 463.534 4.029 50 0 JIAARN O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2cccs2)cc1 ZINC000013110185 556311420 /nfs/dbraw/zinc/31/14/20/556311420.db2.gz GCCNPRXZVGWSSD-UHFFFAOYSA-N 0 0 482.549 4.474 50 0 JIAARN Cc1cc(C(=O)CSc2nc(C)cc(-c3ccccc3)n2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000028031667 556312796 /nfs/dbraw/zinc/31/27/96/556312796.db2.gz PRIRFRRIUAOTCM-LJQANCHMSA-N 0 0 455.605 4.205 50 0 JIAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)COC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000018226841 556313182 /nfs/dbraw/zinc/31/31/82/556313182.db2.gz CMOLVULEQSKJEH-UHFFFAOYSA-N 0 0 474.872 4.377 50 0 JIAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)NCc3cccc(Cl)c3)C2=O)cc1C ZINC000013112394 556313377 /nfs/dbraw/zinc/31/33/77/556313377.db2.gz ZWPYVSOUUSZEDK-SANMLTNESA-N 0 0 461.949 4.069 50 0 JIAARN O=C(CCCOc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013112714 556314741 /nfs/dbraw/zinc/31/47/41/556314741.db2.gz CAZPQWLAOZRWLG-UHFFFAOYSA-N 0 0 467.385 4.031 50 0 JIAARN COC(=O)c1c2c(sc1NC(=O)COC(=O)c1nc(Cl)ccc1Cl)CCCCC2 ZINC000013114215 556318523 /nfs/dbraw/zinc/31/85/23/556318523.db2.gz JHFWDCLXFOEOMB-UHFFFAOYSA-N 0 0 457.335 4.301 50 0 JIAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000013114298 556318860 /nfs/dbraw/zinc/31/88/60/556318860.db2.gz ZUKCXBPVCCECKD-CQSZACIVSA-N 0 0 451.527 4.275 50 0 JIAARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000018435867 556321168 /nfs/dbraw/zinc/32/11/68/556321168.db2.gz IOWYQQPKKPAEHG-DOGKRZLPSA-N 0 0 470.356 4.041 50 0 JIAARN COC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)c1C ZINC000013115857 556323353 /nfs/dbraw/zinc/32/33/53/556323353.db2.gz IJVWPXKKWBCWMF-UHFFFAOYSA-N 0 0 475.570 4.460 50 0 JIAARN CCn1c(SCC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccco2)nnc1-c1ccncc1 ZINC000013116887 556324580 /nfs/dbraw/zinc/32/45/80/556324580.db2.gz ZJTYGLKIOSEPLQ-NRFANRHFSA-N 0 0 488.573 4.432 50 0 JIAARN O=C(CNc1ccc(Br)cc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000018936789 556325202 /nfs/dbraw/zinc/32/52/02/556325202.db2.gz NUANFCUXUSKCQX-UHFFFAOYSA-N 0 0 468.307 4.481 50 0 JIAARN CC(C)CCC[C@H](C)NC(=O)CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1 ZINC000018956689 556325809 /nfs/dbraw/zinc/32/58/09/556325809.db2.gz HBDUAEGTSIIHOQ-KRWDZBQOSA-N 0 0 467.657 4.426 50 0 JIAARN O=C(c1ccccc1Br)N(Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000028228549 556326032 /nfs/dbraw/zinc/32/60/32/556326032.db2.gz GJFOZMBIUPPJEG-SFHVURJKSA-N 0 0 458.377 4.432 50 0 JIAARN O=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1ccn(COc2ccc(Br)cc2)n1 ZINC000028229902 556326375 /nfs/dbraw/zinc/32/63/75/556326375.db2.gz NYIBURXVQRMEHN-UHFFFAOYSA-N 0 0 470.302 4.318 50 0 JIAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)C1=O ZINC000013117532 556327852 /nfs/dbraw/zinc/32/78/52/556327852.db2.gz DNMBFMMILKPJIW-VWLOTQADSA-N 0 0 471.542 4.103 50 0 JIAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)C1=O ZINC000013117533 556327920 /nfs/dbraw/zinc/32/79/20/556327920.db2.gz DNMBFMMILKPJIW-RUZDIDTESA-N 0 0 471.542 4.103 50 0 JIAARN COc1cc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(OC(F)(F)Cl)cc32)c(OC)cc1C ZINC000028295919 556330159 /nfs/dbraw/zinc/33/01/59/556330159.db2.gz DXQCNZZUJDZKOV-UHFFFAOYSA-N 0 0 488.940 4.491 50 0 JIAARN CCn1c(SCC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)nnc1C1CC1 ZINC000019197634 556333555 /nfs/dbraw/zinc/33/35/55/556333555.db2.gz OWMDYFXTCVKLDO-UHFFFAOYSA-N 0 0 481.578 4.176 50 0 JIAARN CCOC(=O)c1sc2nc(C)nc(N[C@H](c3nccn3C)c3ccc(OC)cc3)c2c1C ZINC000028620526 556337508 /nfs/dbraw/zinc/33/75/08/556337508.db2.gz JFSNARCOEYTCCX-SFHVURJKSA-N 0 0 451.552 4.428 50 0 JIAARN CCCCn1nnnc1COC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000019296626 556338118 /nfs/dbraw/zinc/33/81/18/556338118.db2.gz USAXMJKBWRBYLU-UHFFFAOYSA-N 0 0 483.638 4.007 50 0 JIAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccccc1 ZINC000013121567 556338207 /nfs/dbraw/zinc/33/82/07/556338207.db2.gz FBAOQBAENMGAHK-QFIPXVFZSA-N 0 0 468.022 4.087 50 0 JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccc(N(C)C)cc3)nn2[C@H]1c1ccncc1 ZINC000013123760 556339883 /nfs/dbraw/zinc/33/98/83/556339883.db2.gz UWMGMAVKZCJNBI-DEOSSOPVSA-N 0 0 481.560 4.342 50 0 JIAARN 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COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C(=O)NCc3ccccc3Cl)c1)c2=O ZINC000032959314 556576109 /nfs/dbraw/zinc/57/61/09/556576109.db2.gz CBJOUXSLANBISR-UHFFFAOYSA-N 0 0 479.945 4.044 50 0 JIAARN COc1ccc(Br)cc1CNC(=O)[C@@H]1CCCN(c2nc(C)nc3oc(C)c(C)c32)C1 ZINC000032960395 556576969 /nfs/dbraw/zinc/57/69/69/556576969.db2.gz YHYBBMXPWKIIPA-MRXNPFEDSA-N 0 0 487.398 4.452 50 0 JIAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)N3CCN(c4cc(C)ccc4C)CC3)CC2)c2ccccc2O1 ZINC000008588477 562941482 /nfs/dbraw/zinc/94/14/82/562941482.db2.gz OTIBKJZBCHOKKW-XMMPIXPASA-N 0 0 490.648 4.462 50 0 JIAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCc3cccc(OC)c3OC)CC2)c2cc(C)ccc2O1 ZINC000008588570 562941499 /nfs/dbraw/zinc/94/14/99/562941499.db2.gz QBCABFJAUGSDKX-NRFANRHFSA-N 0 0 481.593 4.138 50 0 JIAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCc3ccc(OC)cc3OC)CC2)c2cc(C)ccc2O1 ZINC000008588591 562941502 /nfs/dbraw/zinc/94/15/02/562941502.db2.gz AVXBNRDVZADMCP-NRFANRHFSA-N 0 0 481.593 4.138 50 0 JIAARN CCOCCCNC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1cccs1)C(=O)c1ccccc1O ZINC000008591198 562942801 /nfs/dbraw/zinc/94/28/01/562942801.db2.gz GAJPKFGHINILBM-XMMPIXPASA-N 0 0 482.602 4.389 50 0 JIAARN COc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3C)c2=O)CCCC4)c(OC)c1 ZINC000008591999 562943065 /nfs/dbraw/zinc/94/30/65/562943065.db2.gz QNPAYGKSVZRZRW-UHFFFAOYSA-N 0 0 462.571 4.467 50 0 JIAARN Cc1cccc(NC(=O)Cn2c3c4ccccc4sc3c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000008592347 562943122 /nfs/dbraw/zinc/94/31/22/562943122.db2.gz XSEHESLMEDLNFD-UHFFFAOYSA-N 0 0 455.539 4.373 50 0 JIAARN O=C(CN1c2ccccc2[C@]2(SCC(=O)N2c2ccc(F)c(F)c2)C1=O)Nc1ccccc1F ZINC000008595658 562943967 /nfs/dbraw/zinc/94/39/67/562943967.db2.gz DCJWWRCCVAIZQJ-DEOSSOPVSA-N 0 0 483.471 4.022 50 0 JIAARN Cc1cccc(S(=O)(=O)c2cn(Cc3ccccc3)c3cc(N4CCOCC4)c(F)cc3c2=O)c1 ZINC000008596334 562944405 /nfs/dbraw/zinc/94/44/05/562944405.db2.gz HYWOHELXDYVKTO-UHFFFAOYSA-N 0 0 492.572 4.167 50 0 JIAARN CCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21 ZINC000008596743 562944577 /nfs/dbraw/zinc/94/45/77/562944577.db2.gz HWEGTAOMQMXFQF-UHFFFAOYSA-N 0 0 458.555 4.238 50 0 JIAARN CC(C)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000008599406 562945298 /nfs/dbraw/zinc/94/52/98/562945298.db2.gz QQBJRZIIJZFEDY-RUZDIDTESA-N 0 0 491.613 4.223 50 0 JIAARN CCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc3c2=O)cc1 ZINC000008603705 562946065 /nfs/dbraw/zinc/94/60/65/562946065.db2.gz ZWXAWLDYHAMMAU-UHFFFAOYSA-N 0 0 460.555 4.344 50 0 aggregator JIAARN COc1cccc(-n2c(=O)c3sc4ccccc4c3n(CC(=O)Nc3ccc(F)cc3F)c2=O)c1 ZINC000008604024 562946192 /nfs/dbraw/zinc/94/61/92/562946192.db2.gz OICJSYPYPXQXBM-UHFFFAOYSA-N 0 0 493.491 4.293 50 0 JIAARN COc1ccc(C(=O)CN2c3ccccc3S(=O)(=O)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000008608361 562947064 /nfs/dbraw/zinc/94/70/64/562947064.db2.gz KXQYWLZZNUWQJZ-UHFFFAOYSA-N 0 0 450.516 4.330 50 0 aggregator JIAARN Cc1cc2oc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)cc(=O)c2cc1C ZINC000008612210 562947909 /nfs/dbraw/zinc/94/79/09/562947909.db2.gz VXRNEXRQFQIFGP-OAHLLOKOSA-N 0 0 466.559 4.121 50 0 JIAARN Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)oc2c1C ZINC000008612382 562947922 /nfs/dbraw/zinc/94/79/22/562947922.db2.gz PONULDQWLPAWAF-UHFFFAOYSA-N 0 0 454.548 4.083 50 0 JIAARN COc1cccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCN(c3ccccc3)CC2)c1 ZINC000008617151 562948205 /nfs/dbraw/zinc/94/82/05/562948205.db2.gz QIDKEOUPLOOIRV-MUUNZHRXSA-N 0 0 485.584 4.424 50 0 aggregator JIAARN CCOc1cc(CNC(=O)CSc2n[nH]c(-c3ccccc3)n2)cc(OCC)c1OCC ZINC000008619558 562948385 /nfs/dbraw/zinc/94/83/85/562948385.db2.gz YRUZERLXBADZMM-UHFFFAOYSA-N 0 0 456.568 4.076 50 0 JIAARN CC(C)(C)OC(=O)CN1c2ccccc2CC[C@@H](Sc2n[nH]c(-c3ccccc3)n2)C1=O ZINC000008672344 562949914 /nfs/dbraw/zinc/94/99/14/562949914.db2.gz NOKIPECZFDXWDV-LJQANCHMSA-N 0 0 450.564 4.254 50 0 JIAARN COc1ccccc1N1CCN(c2nc(CNC(=O)c3ccccc3F)nc3ccccc32)CC1 ZINC000012029930 562958760 /nfs/dbraw/zinc/95/87/60/562958760.db2.gz CEOZOBNIEBPURE-UHFFFAOYSA-N 0 0 471.536 4.034 50 0 JIAARN COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000033023428 563110448 /nfs/dbraw/zinc/11/04/48/563110448.db2.gz ZEFCQXUMZPCNOZ-UHFFFAOYSA-N 0 0 485.650 4.415 50 0 JIAARN C[C@H](NS(=O)(=O)c1ccccc1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000036370278 563127286 /nfs/dbraw/zinc/12/72/86/563127286.db2.gz QCOYPPMEIZENAO-FDDCHVKYSA-N 0 0 459.612 4.118 50 0 JIAARN COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036386764 563128897 /nfs/dbraw/zinc/12/88/97/563128897.db2.gz AUKQXFDZQMHOGU-UHFFFAOYSA-N 0 0 493.629 4.199 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CNCc2ccccc2OC)c1 ZINC000061879168 563209618 /nfs/dbraw/zinc/20/96/18/563209618.db2.gz KLWZXEWBRVYILZ-UHFFFAOYSA-N 0 0 488.009 4.292 50 0 JIAARN Cc1ccc(Nc2nc(N)nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1C ZINC000054147132 569589280 /nfs/dbraw/zinc/58/92/80/569589280.db2.gz DDNVINLYAPMHTF-UHFFFAOYSA-N 0 0 457.504 4.155 50 0 JIAARN COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(Cl)c1 ZINC000008433342 569589587 /nfs/dbraw/zinc/58/95/87/569589587.db2.gz CNUPLXXIAHJYQI-QHCPKHFHSA-N 0 0 496.951 4.019 50 0 JIAARN O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000054254126 569589654 /nfs/dbraw/zinc/58/96/54/569589654.db2.gz UMDABCNEYHGIPN-UHFFFAOYSA-N 0 0 451.929 4.471 50 0 JIAARN CN(Cc1ccsc1)Cc1ccc(C(=O)NCc2nc(-c3ccccc3)cs2)c(=O)[nH]1 ZINC000055042355 569590454 /nfs/dbraw/zinc/59/04/54/569590454.db2.gz ZGWXLDRDPSOJLR-UHFFFAOYSA-N 0 0 450.589 4.122 50 0 JIAARN COc1cc(-c2nnc3sc(COc4ccc(Br)cc4)nn32)cc(OC)c1OC ZINC000008453208 569591317 /nfs/dbraw/zinc/59/13/17/569591317.db2.gz PYROVTKIDGRMRO-UHFFFAOYSA-N 0 0 477.340 4.220 50 0 JIAARN CN(Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21)Cc1ccc2nccnc2c1 ZINC000055576060 569592238 /nfs/dbraw/zinc/59/22/38/569592238.db2.gz NNSGEABQIUXFSR-UHFFFAOYSA-N 0 0 450.546 4.182 50 0 JIAARN O=C(C1CCN(c2ccc(-c3ccccc3)nn2)CC1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000056903901 569592357 /nfs/dbraw/zinc/59/23/57/569592357.db2.gz WXWDRGCYPXEQDA-UHFFFAOYSA-N 0 0 496.537 4.123 50 0 JIAARN CCCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OC)c(Cl)c1 ZINC000008694513 569593128 /nfs/dbraw/zinc/59/31/28/569593128.db2.gz LSVNKSNNYYNAGT-RBUKOAKNSA-N 0 0 457.987 4.283 50 0 JIAARN COc1ccc(-n2c(SCC(=O)c3ccc(NC(C)=O)cc3)nnc2-c2ccncc2)cc1 ZINC000008705147 569593883 /nfs/dbraw/zinc/59/38/83/569593883.db2.gz MKNSEKXCDKIFJX-UHFFFAOYSA-N 0 0 459.531 4.271 50 0 JIAARN COc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000057015881 569593873 /nfs/dbraw/zinc/59/38/73/569593873.db2.gz JZSLTYFERHGGKP-CLOONOSVSA-N 0 0 465.619 4.447 50 0 JIAARN COc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3OC)CC2)cc1OC ZINC000057015891 569593898 /nfs/dbraw/zinc/59/38/98/569593898.db2.gz FFZVPUFSAAPHDX-AFMDSPMNSA-N 0 0 495.645 4.456 50 0 JIAARN COc1cc(Cl)ccc1NC(=O)COc1ccc([C@H]2Nc3ccccc3C(=O)N2)cc1OC ZINC000008705594 569594193 /nfs/dbraw/zinc/59/41/93/569594193.db2.gz OEZQRVQKLYZPSI-QHCPKHFHSA-N 0 0 467.909 4.229 50 0 JIAARN CC(C)Nc1nnc(SCC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000008707311 569594691 /nfs/dbraw/zinc/59/46/91/569594691.db2.gz ZWAHUPBRMHXLST-UHFFFAOYSA-N 0 0 471.564 4.070 50 0 JIAARN CCOc1cc(CN(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C2CC2)ccc1OC(F)F ZINC000008707470 569594776 /nfs/dbraw/zinc/59/47/76/569594776.db2.gz QVLAYJQBHSFUMZ-UHFFFAOYSA-N 0 0 461.509 4.098 50 0 JIAARN C[C@@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C(=O)NCc1ccc2c(c1)OCO2 ZINC000008708544 569595211 /nfs/dbraw/zinc/59/52/11/569595211.db2.gz JBBRSGOVGLGCRL-OAHLLOKOSA-N 0 0 485.997 4.047 50 0 JIAARN CCCCS(=O)(=O)Nc1ccc2c(c1)c(C(=O)OC(C)C)c(C)n2S(=O)(=O)CCCC ZINC000008715859 569596518 /nfs/dbraw/zinc/59/65/18/569596518.db2.gz GPUAOMBUFCIYDJ-UHFFFAOYSA-N 0 0 472.629 4.035 50 0 JIAARN Cc1c(N2C(=O)[C@@H](C)S[C@@H]2c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C ZINC000008716649 569596577 /nfs/dbraw/zinc/59/65/77/569596577.db2.gz IKJYSAAPNBHLPQ-SPLOXXLWSA-N 0 0 458.381 4.414 50 0 JIAARN COc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)c1 ZINC000008723854 569599458 /nfs/dbraw/zinc/59/94/58/569599458.db2.gz SNBVUJAQUALEMP-UHFFFAOYSA-N 0 0 475.364 4.189 50 0 JIAARN COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000057414909 569600465 /nfs/dbraw/zinc/60/04/65/569600465.db2.gz UMGXXEYZHWSUCA-QHCPKHFHSA-N 0 0 453.970 4.076 50 0 JIAARN COc1ccc(-c2nnc([C@H](C)Sc3nnc(N4CCOCC4)n3-c3ccc(C)cc3)o2)cc1 ZINC000008725959 569600625 /nfs/dbraw/zinc/60/06/25/569600625.db2.gz ANMSXTOQHXDMDW-KRWDZBQOSA-N 0 0 478.578 4.324 50 0 JIAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)NC(=O)NCc1ccccc1 ZINC000008725975 569600640 /nfs/dbraw/zinc/60/06/40/569600640.db2.gz KXEXKFKRUPOIRP-UHFFFAOYSA-N 0 0 478.965 4.101 50 0 JIAARN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000057415508 569600867 /nfs/dbraw/zinc/60/08/67/569600867.db2.gz OIHYORUFKWEQLO-VWLOTQADSA-N 0 0 461.562 4.046 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(C)n1CCc1ccccc1 ZINC000008727086 569600963 /nfs/dbraw/zinc/60/09/63/569600963.db2.gz VXCJWYWLHGEXCD-MUUNZHRXSA-N 0 0 457.574 4.474 50 0 JIAARN COc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)c1 ZINC000057416958 569601366 /nfs/dbraw/zinc/60/13/66/569601366.db2.gz XSQUCQQBTVITCD-UHFFFAOYSA-N 0 0 455.536 4.385 50 0 JIAARN CC[C@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1OC ZINC000057425607 569601479 /nfs/dbraw/zinc/60/14/79/569601479.db2.gz PACHGCYFCAUEPG-KRWDZBQOSA-N 0 0 457.621 4.398 50 0 JIAARN CCOc1ccc(NC(=O)CN(C)C(=O)/C=C/c2ccc(Br)s2)cc1OCC ZINC000032966689 569603245 /nfs/dbraw/zinc/60/32/45/569603245.db2.gz OFJMAZNSRGKQRV-DHZHZOJOSA-N 0 0 467.385 4.418 50 0 JIAARN O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2CSc2nc3ccccc3[nH]2)CC1 ZINC000032967084 569603430 /nfs/dbraw/zinc/60/34/30/569603430.db2.gz PIFAOGPMGRAQTF-UHFFFAOYSA-N 0 0 456.571 4.453 50 0 JIAARN CC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1 ZINC000032971499 569603838 /nfs/dbraw/zinc/60/38/38/569603838.db2.gz IHCFUYBHJBVVED-UHFFFAOYSA-N 0 0 458.518 4.308 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)cc1Cl ZINC000032975671 569606295 /nfs/dbraw/zinc/60/62/95/569606295.db2.gz QZCRKAHTXBQXAL-ROUUACIJSA-N 0 0 476.982 4.133 50 0 JIAARN CCOc1cccc([C@H]2c3cccn3-c3c(c(C)nn3-c3ccccc3)CN2C(=O)NCC(=O)OC)c1 ZINC000032977680 569606363 /nfs/dbraw/zinc/60/63/63/569606363.db2.gz ZWYDSVOQQBLHSK-SANMLTNESA-N 0 0 499.571 4.158 50 0 JIAARN CCc1ccc([C@@H]2c3cccn3-c3c(c(C)nn3-c3ccccc3)CN2C(=O)NCC(=O)OC)cc1 ZINC000032977702 569606391 /nfs/dbraw/zinc/60/63/91/569606391.db2.gz DXZWDRKYIAZCQR-AREMUKBSSA-N 0 0 483.572 4.321 50 0 JIAARN COc1ccccc1NC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21 ZINC000032978041 569606469 /nfs/dbraw/zinc/60/64/69/569606469.db2.gz BKWHZAWWIQZDQV-UHFFFAOYSA-N 0 0 457.530 4.429 50 0 JIAARN COc1ccccc1/C=C1/Oc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)cc2NC1=O ZINC000032983795 569606977 /nfs/dbraw/zinc/60/69/77/569606977.db2.gz FDQOMNHDIOJUDC-JZCUADNKSA-N 0 0 472.497 4.329 50 0 JIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)/C(=C/c2cccc(Cl)c2)O3)C1 ZINC000032983977 569607314 /nfs/dbraw/zinc/60/73/14/569607314.db2.gz ARQUAXNFIXXKGH-WCEBZYJUSA-N 0 0 454.910 4.127 50 0 JIAARN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)CCCCOc3cc(C)ccc3C)C2)cc1 ZINC000060359356 569608728 /nfs/dbraw/zinc/60/87/28/569608728.db2.gz CFKJPFMUMOUCJF-QHCPKHFHSA-N 0 0 472.651 4.378 50 0 JIAARN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCc3ccc(SC)cc3)s2)cc1 ZINC000032987823 569609663 /nfs/dbraw/zinc/60/96/63/569609663.db2.gz DEOUXPITPUXZLZ-UHFFFAOYSA-N 0 0 456.593 4.160 50 0 JIAARN COCCCNC(=O)COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2 ZINC000062001637 569610159 /nfs/dbraw/zinc/61/01/59/569610159.db2.gz NIKNNZYUDOGDHB-UHFFFAOYSA-N 0 0 451.519 4.095 50 0 biogenic JIAARN Cc1sc2nc(CSc3ccccc3)nc(N3CCN([C@@H](C)C(=O)NC4CC4)CC3)c2c1C ZINC000062275137 569610621 /nfs/dbraw/zinc/61/06/21/569610621.db2.gz NXHWIRVLQYHHDC-KRWDZBQOSA-N 0 0 481.691 4.390 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)ccc1Cl ZINC000062577347 569611575 /nfs/dbraw/zinc/61/15/75/569611575.db2.gz BGACETJFXXMKFQ-HNNXBMFYSA-N 0 0 485.075 4.311 50 0 JIAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000032998230 569612150 /nfs/dbraw/zinc/61/21/50/569612150.db2.gz CDTZXMGTSQMRII-UHFFFAOYSA-N 0 0 469.563 4.297 50 0 JIAARN O=c1ccc2ccc(OS(=O)(=O)c3c(Br)cc(F)cc3Br)cc2o1 ZINC000062588299 569612194 /nfs/dbraw/zinc/61/21/94/569612194.db2.gz GPZMPLPXGNLICJ-UHFFFAOYSA-N 0 0 478.089 4.225 50 0 JIAARN Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCCN(C(=O)Cc4ccccn4)CC3)c2c1C ZINC000062590022 569612347 /nfs/dbraw/zinc/61/23/47/569612347.db2.gz RBTNEMFEDPJWPK-UHFFFAOYSA-N 0 0 492.693 4.216 50 0 JIAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCC[C@@](O)(c3nccn3C)C(F)(F)F)cc2)o1 ZINC000062590012 569612386 /nfs/dbraw/zinc/61/23/86/569612386.db2.gz BKVHTWHIWNWAJQ-HSZRJFAPSA-N 0 0 485.466 4.016 50 0 JIAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3ccccc3CN3CCOCC3)cc2)cc1 ZINC000062591898 569612484 /nfs/dbraw/zinc/61/24/84/569612484.db2.gz ADCHDMYNUMKZPK-UHFFFAOYSA-N 0 0 488.588 4.220 50 0 JIAARN CCCN(C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000062602571 569612859 /nfs/dbraw/zinc/61/28/59/569612859.db2.gz DAGDCQQOLUZNAL-MRXNPFEDSA-N 0 0 491.419 4.248 50 0 JIAARN NC(=O)COc1ccc(NC(=O)CSc2csc(-c3ccc(Br)cc3)n2)cc1 ZINC000062606741 569613013 /nfs/dbraw/zinc/61/30/13/569613013.db2.gz MLNUDDSZQLHFPL-UHFFFAOYSA-N 0 0 478.393 4.168 50 0 JIAARN COc1cccc(CNC(=O)CCn2cnc3c(c(C)c(C)n3-c3cc(Cl)ccc3C)c2=O)c1 ZINC000032999291 569613554 /nfs/dbraw/zinc/61/35/54/569613554.db2.gz SEOYFZJCJXWPIP-UHFFFAOYSA-N 0 0 478.980 4.481 50 0 JIAARN O=C(CCCOc1cccc(Br)c1)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000062630629 569613881 /nfs/dbraw/zinc/61/38/81/569613881.db2.gz GYTKKFMJPRMDOS-UHFFFAOYSA-N 0 0 495.439 4.099 50 0 JIAARN Cc1cccc(-c2nnc([C@H](C)N3CCN(c4cnn(-c5ccccc5)c(=O)c4Cl)CC3)o2)c1 ZINC000062734754 569614752 /nfs/dbraw/zinc/61/47/52/569614752.db2.gz VKSLLMZUKIFQPZ-SFHVURJKSA-N 0 0 476.968 4.128 50 0 JIAARN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3nc4cccnc4n(Cc4ccc(C)cc4)c3=O)C2)c1 ZINC000033006447 569614788 /nfs/dbraw/zinc/61/47/88/569614788.db2.gz PEAJBXGUNATNJT-HSZRJFAPSA-N 0 0 495.583 4.206 50 0 JIAARN O=C([O-])c1cc(N2CC[NH+](C3CCCCC3)CC2)ccc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000033007100 569615189 /nfs/dbraw/zinc/61/51/89/569615189.db2.gz HUTQCUIOBSIRTI-UHFFFAOYSA-N 0 0 496.004 4.433 50 0 JIAARN O=C(CN1CCN(c2ccccc2)CC1)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1cccs1 ZINC000063598737 569615496 /nfs/dbraw/zinc/61/54/96/569615496.db2.gz BCDODJWKMCCMSB-WNCULLNHSA-N 0 0 456.615 4.420 50 0 JIAARN CCOc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000033011921 569617270 /nfs/dbraw/zinc/61/72/70/569617270.db2.gz SDLZGFOKGCDMJW-UHFFFAOYSA-N 0 0 462.984 4.251 50 0 JIAARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)N(Cc1noc(C3CCC3)n1)C(=O)CO2 ZINC000064450744 569617330 /nfs/dbraw/zinc/61/73/30/569617330.db2.gz KJHBTDIPECFBBW-UHFFFAOYSA-N 0 0 488.953 4.025 50 0 JIAARN CCOCC(=O)N1CCN(c2nn3c(nc(-c4ccc(CC)cc4)c3NC3CCCC3)s2)CC1 ZINC000064450779 569617345 /nfs/dbraw/zinc/61/73/45/569617345.db2.gz BRZGODDQGVZSPK-UHFFFAOYSA-N 0 0 482.654 4.060 50 0 JIAARN COc1cccc(CNC(=O)COC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)c1 ZINC000033014078 569617781 /nfs/dbraw/zinc/61/77/81/569617781.db2.gz WLMRBKURQDNXKA-UHFFFAOYSA-N 0 0 489.597 4.353 50 0 JIAARN COc1cc(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)nc(C)n3)CC2)cc(OC)c1OC ZINC000033014196 569617902 /nfs/dbraw/zinc/61/79/02/569617902.db2.gz TWTHDFMRSFLSJU-UHFFFAOYSA-N 0 0 492.580 4.217 50 0 JIAARN CCCOc1ccc(CNC(=O)c2cccc(Cn3c(=O)c4cccn4c4cccnc43)c2)cc1 ZINC000033018590 569618363 /nfs/dbraw/zinc/61/83/63/569618363.db2.gz HCQSBFNZESYEMM-UHFFFAOYSA-N 0 0 466.541 4.416 50 0 JIAARN COc1cccc(CN2C(=O)C(=O)C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)c1 ZINC000064558298 569618608 /nfs/dbraw/zinc/61/86/08/569618608.db2.gz UEKNOIOHIJNNRA-QFIPXVFZSA-N 0 0 467.518 4.470 50 0 JIAARN Cn1nc(COCc2ccc(F)cc2Cl)c2c1CCN(C(=O)NCCc1ccccc1)C2 ZINC000064565825 569619286 /nfs/dbraw/zinc/61/92/86/569619286.db2.gz ACRHSJZTZNGCNK-UHFFFAOYSA-N 0 0 456.949 4.240 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1 ZINC000064565920 569619412 /nfs/dbraw/zinc/61/94/12/569619412.db2.gz TUCSNHAKJKMRIC-UHFFFAOYSA-N 0 0 466.513 4.043 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000064567453 569619681 /nfs/dbraw/zinc/61/96/81/569619681.db2.gz YQWSSEFYUJMSIE-UHFFFAOYSA-N 0 0 488.979 4.156 50 0 JIAARN O=C(Nc1cccc(Cl)c1)NC1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000064579349 569620298 /nfs/dbraw/zinc/62/02/98/569620298.db2.gz AXSFFJQXVNMXTJ-UHFFFAOYSA-N 0 0 488.979 4.284 50 0 JIAARN COc1ccc(Sc2cc3c(cc2NS(=O)(=O)c2ccc4c(c2)CCC4)n(C)c(=O)n3C)cc1 ZINC000064580885 569620735 /nfs/dbraw/zinc/62/07/35/569620735.db2.gz QSELNHSNZRGPKA-UHFFFAOYSA-N 0 0 495.626 4.326 50 0 JIAARN Cc1cccn2c(=O)cc(CSc3ccccc3NS(=O)(=O)c3ccc(F)cc3)nc12 ZINC000033026272 569621131 /nfs/dbraw/zinc/62/11/31/569621131.db2.gz FAHUBAGLBBEMGX-UHFFFAOYSA-N 0 0 455.536 4.235 50 0 JIAARN CCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3C)c3nc(C)ccc3c2=O)cc1 ZINC000064591226 569621832 /nfs/dbraw/zinc/62/18/32/569621832.db2.gz DLHAJUWUWVJJNX-UHFFFAOYSA-N 0 0 489.597 4.356 50 0 JIAARN CCOc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4nn(-c5ccc(C)cc5)cc43)C2)cc1 ZINC000033273806 569621998 /nfs/dbraw/zinc/62/19/98/569621998.db2.gz CJPMFJYRENFCNU-NRFANRHFSA-N 0 0 470.577 4.055 50 0 JIAARN Cc1ccc(Cc2nc3nc4c(c(N5CCN(c6cc(C)ccc6C)CC5)n3n2)CCC4)cc1 ZINC000064592858 569622427 /nfs/dbraw/zinc/62/24/27/569622427.db2.gz LHGGWRODQIHWCA-UHFFFAOYSA-N 0 0 452.606 4.456 50 0 JIAARN CCn1nc(C)c2ccnc(N3CCC(C(=O)Nc4cc(Cl)c(OC)cc4OC)CC3)c21 ZINC000033299086 569622516 /nfs/dbraw/zinc/62/25/16/569622516.db2.gz BLBLRYDKBLCWIN-UHFFFAOYSA-N 0 0 457.962 4.285 50 0 JIAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3cccc(Cl)c3C)n2)cc1 ZINC000064605318 569622740 /nfs/dbraw/zinc/62/27/40/569622740.db2.gz VAPJWKYLMRKKTH-UHFFFAOYSA-N 0 0 452.942 4.414 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3cc(Sc4cccc(F)c4)ncn3)CC2)cc1 ZINC000033312133 569623124 /nfs/dbraw/zinc/62/31/24/569623124.db2.gz FWGPTLIYCCIYHH-UHFFFAOYSA-N 0 0 452.555 4.308 50 0 JIAARN Cc1ccccc1CNC(=O)Cn1c2nc(-c3ccccc3)nn2c(=O)c(Cc2ccccc2)c1C ZINC000033324741 569623573 /nfs/dbraw/zinc/62/35/73/569623573.db2.gz IMAYNOQBKMHRAB-UHFFFAOYSA-N 0 0 477.568 4.082 50 0 JIAARN CN(Cc1ccco1)C(=O)CN(C)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703951 569624592 /nfs/dbraw/zinc/62/45/92/569624592.db2.gz RRQPVZSMTROWCH-UHFFFAOYSA-N 0 0 470.574 4.495 50 0 JIAARN Cc1noc(C)c1CCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704427 569624839 /nfs/dbraw/zinc/62/48/39/569624839.db2.gz OIVIYNZPPFZTHJ-UHFFFAOYSA-N 0 0 481.626 4.068 50 0 JIAARN Cc1ccc(S(=O)(=O)c2ccc(N3CCC(C(=O)OCc4cc(C)ccc4C)CC3)nn2)cc1 ZINC000064775316 569627533 /nfs/dbraw/zinc/62/75/33/569627533.db2.gz IZWFBRFJIWTAIN-UHFFFAOYSA-N 0 0 479.602 4.194 50 0 JIAARN Cc1cccc(NC(=O)CSc2ccc(N3CCN(c4ccccc4Cl)CC3)nn2)c1 ZINC000064775447 569627612 /nfs/dbraw/zinc/62/76/12/569627612.db2.gz MSSUJRQTRPBBKB-UHFFFAOYSA-N 0 0 453.999 4.496 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)CC1 ZINC000064788019 569628079 /nfs/dbraw/zinc/62/80/79/569628079.db2.gz HCWPOLPRVXPKFS-UHFFFAOYSA-N 0 0 480.977 4.047 50 0 JIAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4cc(Cl)ccc4OC)c(=O)n23)c1 ZINC000064788074 569628174 /nfs/dbraw/zinc/62/81/74/569628174.db2.gz KEIXCUDXIJWAOF-UHFFFAOYSA-N 0 0 471.922 4.355 50 0 JIAARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@H](c2ccccc2F)OCC3(C)C)c(=O)n(C)c1=O ZINC000064788115 569628209 /nfs/dbraw/zinc/62/82/09/569628209.db2.gz FGUZWFKVNSDGGS-QFIPXVFZSA-N 0 0 467.928 4.353 50 0 JIAARN Cc1ccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000064789786 569628624 /nfs/dbraw/zinc/62/86/24/569628624.db2.gz ACVGKGLGGVVTDA-UHFFFAOYSA-N 0 0 491.569 4.347 50 0 JIAARN Cc1csc(-n2nc(C)c(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2C)n1 ZINC000064790265 569628755 /nfs/dbraw/zinc/62/87/55/569628755.db2.gz QCXDYAHDAPMJMG-UHFFFAOYSA-N 0 0 463.529 4.164 50 0 JIAARN CC(=O)c1ccc(NC(=O)Cn2c3ccccc3nc(N(Cc3ccccc3C)C(C)=O)c2=O)cc1 ZINC000064791300 569628846 /nfs/dbraw/zinc/62/88/46/569628846.db2.gz DRELFHKOBHOPKV-UHFFFAOYSA-N 0 0 482.540 4.099 50 0 JIAARN COc1ccccc1NC(=O)Cn1c2ccccc2nc(N(Cc2ccccc2Cl)C(C)=O)c1=O ZINC000064791456 569628913 /nfs/dbraw/zinc/62/89/13/569628913.db2.gz VAYHQPJQKUFIGU-UHFFFAOYSA-N 0 0 490.947 4.250 50 0 JIAARN COc1cccc(NC(=O)CN2c3nnnn3[C@H](c3ccc(C)cc3)C=C2c2ccc(C)cc2)c1 ZINC000064793335 569629480 /nfs/dbraw/zinc/62/94/80/569629480.db2.gz CREJTJJNBIWAGC-VWLOTQADSA-N 0 0 466.545 4.388 50 0 JIAARN Cc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000064793321 569629524 /nfs/dbraw/zinc/62/95/24/569629524.db2.gz LPSDLZOVWKMHFB-SANMLTNESA-N 0 0 479.588 4.445 50 0 JIAARN O=C(CN1c2nnnn2[C@@H](c2ccc(F)cc2)C=C1c1ccc(Cl)cc1)N1CCCCCC1 ZINC000064793491 569629607 /nfs/dbraw/zinc/62/96/07/569629607.db2.gz GZOLGLRGJGEXNJ-JOCHJYFZSA-N 0 0 466.948 4.319 50 0 JIAARN CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1sc2ncccc2c1N ZINC000064794160 569629824 /nfs/dbraw/zinc/62/98/24/569629824.db2.gz VOWXTRCXDXKNMR-UHFFFAOYSA-N 0 0 454.581 4.205 50 0 JIAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000064799027 569630930 /nfs/dbraw/zinc/63/09/30/569630930.db2.gz JEWLOUHRFIZUKX-MRXNPFEDSA-N 0 0 459.545 4.081 50 0 JIAARN COc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4cccc(C)c4)csc32)c(OC)c1OC ZINC000064799365 569631117 /nfs/dbraw/zinc/63/11/17/569631117.db2.gz BVZXAHRXKCUMLX-INIZCTEOSA-N 0 0 473.572 4.389 50 0 JIAARN Cc1ccc(Nc2nc(C)cc(N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)n2)cc1 ZINC000064800645 569631406 /nfs/dbraw/zinc/63/14/06/569631406.db2.gz SDVYCDNFNNBJOX-UHFFFAOYSA-N 0 0 465.623 4.273 50 0 JIAARN CCOc1ccc(NC(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NCCOC)c2)cc1 ZINC000033714341 569631458 /nfs/dbraw/zinc/63/14/58/569631458.db2.gz DNVHPGUJDHYMBU-UHFFFAOYSA-N 0 0 454.571 4.342 50 0 JIAARN Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)nc(N2CCOCC2)n1 ZINC000064801970 569631667 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/nfs/dbraw/zinc/67/69/60/569676960.db2.gz SAMGOJYBTACLAX-LJQANCHMSA-N 0 0 470.522 4.209 50 0 JIAARN COc1cccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1 ZINC000067207956 569678544 /nfs/dbraw/zinc/67/85/44/569678544.db2.gz SQAYVEBDGUKVHS-UHFFFAOYSA-N 0 0 472.423 4.429 50 0 JIAARN COc1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2F)cc1OC ZINC000067216171 569678771 /nfs/dbraw/zinc/67/87/71/569678771.db2.gz FEWKPOCDQNWVMB-UHFFFAOYSA-N 0 0 499.589 4.055 50 0 JIAARN COc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2OC)cc(OC)c1 ZINC000067216306 569678904 /nfs/dbraw/zinc/67/89/04/569678904.db2.gz USUYZQZUGAXYLD-UHFFFAOYSA-N 0 0 483.571 4.204 50 0 JIAARN COc1cccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)ccc2C)c1 ZINC000067217016 569679288 /nfs/dbraw/zinc/67/92/88/569679288.db2.gz ARWMKKSMIJJTPZ-UHFFFAOYSA-N 0 0 465.600 4.481 50 0 JIAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)NCc2ccc3c(c2)OCO3)c1C ZINC000067217261 569679382 /nfs/dbraw/zinc/67/93/82/569679382.db2.gz HPXQAIGEVVFQKF-UHFFFAOYSA-N 0 0 479.583 4.201 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(F)cc2C)cc1 ZINC000067217442 569679491 /nfs/dbraw/zinc/67/94/91/569679491.db2.gz MRDFZAPFXDINEZ-UHFFFAOYSA-N 0 0 483.546 4.412 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1CCc1cccs1 ZINC000067217508 569679588 /nfs/dbraw/zinc/67/95/88/569679588.db2.gz LXVLSTSHAMKDQP-UHFFFAOYSA-N 0 0 485.612 4.280 50 0 JIAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccc(Cl)cc2)c1=O)Nc1ccc(F)c(Cl)c1 ZINC000067218147 569680014 /nfs/dbraw/zinc/68/00/14/569680014.db2.gz IPNLEMRYENIUMD-UHFFFAOYSA-N 0 0 464.305 4.299 50 0 JIAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3c(C)cccc3Cl)c2=O)c1C ZINC000067218516 569680099 /nfs/dbraw/zinc/68/00/99/569680099.db2.gz GPCOGXVSQXXDSR-UHFFFAOYSA-N 0 0 453.951 4.431 50 0 JIAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C(F)(F)F)cc3)c2=O)c1C ZINC000067218533 569680103 /nfs/dbraw/zinc/68/01/03/569680103.db2.gz WMGDMCJNYQQXQE-UHFFFAOYSA-N 0 0 473.476 4.488 50 0 JIAARN Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3C(F)(F)F)c2=O)ccc1F ZINC000067218759 569680354 /nfs/dbraw/zinc/68/03/54/569680354.db2.gz UJNYEAPVFYXYTH-UHFFFAOYSA-N 0 0 477.439 4.319 50 0 JIAARN O=C(Cn1nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn2c1=O)Nc1cc(F)ccc1Cl ZINC000067219033 569680375 /nfs/dbraw/zinc/68/03/75/569680375.db2.gz OYBAHWXZSJQPSQ-UHFFFAOYSA-N 0 0 499.289 4.298 50 0 JIAARN CCCCc1ccc(NC(=O)Cn2nc3c(-c4nc(-c5cccc(F)c5)no4)cccn3c2=O)cc1 ZINC000067219309 569680600 /nfs/dbraw/zinc/68/06/00/569680600.db2.gz WAIURSVPZBMJGU-UHFFFAOYSA-N 0 0 486.507 4.333 50 0 JIAARN Cc1ccc(C)c(NC(=O)Cn2nc3c(-c4nc(-c5cccc(Cl)c5)no4)cccn3c2=O)c1 ZINC000067219415 569680733 /nfs/dbraw/zinc/68/07/33/569680733.db2.gz UJFAUSAKFBCEML-UHFFFAOYSA-N 0 0 474.908 4.122 50 0 JIAARN Cc1cccc(Cl)c1NC(=O)Cn1cnc2nc(N(C)Cc3ccccc3)sc2c1=O ZINC000067225822 569680868 /nfs/dbraw/zinc/68/08/68/569680868.db2.gz IEWVAQHMHZKYIT-UHFFFAOYSA-N 0 0 453.955 4.090 50 0 JIAARN Cc1cc(NC(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)ccc1Br ZINC000067225838 569681076 /nfs/dbraw/zinc/68/10/76/569681076.db2.gz ZDLYPJRZYNBLDS-UHFFFAOYSA-N 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CN1c2ccc(Cl)cc2-c2nc(SCc3ccc(N4CCCC4=O)cc3)ncc2S1(=O)=O ZINC000067260107 569682474 /nfs/dbraw/zinc/68/24/74/569682474.db2.gz AZNZNMYXDFJVAJ-UHFFFAOYSA-N 0 0 487.006 4.355 50 0 JIAARN CC(C)c1ccc(-c2cc3c4nn(Cc5ccc(N6CCCC6=O)cc5)c(=O)n4ccn3n2)cc1 ZINC000067260570 569682728 /nfs/dbraw/zinc/68/27/28/569682728.db2.gz KPRHNBHHLLHQER-UHFFFAOYSA-N 0 0 466.545 4.109 50 0 JIAARN Cc1n[nH]cc1CNC(=O)c1ccc(CN2c3cc(-c4cccc(Cl)c4)nn3CCC2=O)cc1 ZINC000035373790 569683791 /nfs/dbraw/zinc/68/37/91/569683791.db2.gz HUDQMRZRFFXWDN-UHFFFAOYSA-N 0 0 474.952 4.102 50 0 JIAARN CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3C)CC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286984 569684319 /nfs/dbraw/zinc/68/43/19/569684319.db2.gz CLSGAXMQXVCEQK-RUZDIDTESA-N 0 0 494.661 4.019 50 0 JIAARN O=C(c1cnc2ccc(Cl)cc2c1N1CCN(c2cccc(Cl)c2)CC1)N1CCOCC1 ZINC000067288090 569684730 /nfs/dbraw/zinc/68/47/30/569684730.db2.gz SJWQSJAJJMSJPO-UHFFFAOYSA-N 0 0 471.388 4.341 50 0 JIAARN Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4cccc(Br)c4)c3)n2)c1 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453.406 4.222 50 0 JIAARN Cc1ccc(NC(=O)CN2c3cc(C(=O)N4CCCCC4)ccc3N3CCCC[C@H]3C2=O)c(C)c1 ZINC000035446077 569695854 /nfs/dbraw/zinc/69/58/54/569695854.db2.gz BTHBDFXYXWEUDY-DEOSSOPVSA-N 0 0 474.605 4.274 50 0 JIAARN Cc1cc(C)cc(NC(=O)CN2c3cc(C(=O)N4CCCCC4)ccc3N3CCCC[C@H]3C2=O)c1 ZINC000035446103 569695866 /nfs/dbraw/zinc/69/58/66/569695866.db2.gz FFPNJMWXXIAVAA-DEOSSOPVSA-N 0 0 474.605 4.274 50 0 JIAARN CCOC(=O)C[C@@H](c1ccc(-c2cc(Cl)ccc2Cl)o1)c1oc(CO)cc(=O)c1O ZINC000071279375 569696097 /nfs/dbraw/zinc/69/60/97/569696097.db2.gz GGHWFYCEFRPNKV-AWEZNQCLSA-N 0 0 453.274 4.490 50 0 JIAARN COc1ccc2[nH]cc(C(=O)CSc3nnc4c(=O)n(-c5cc(Cl)ccc5C)ccn34)c2c1 ZINC000035447935 569696318 /nfs/dbraw/zinc/69/63/18/569696318.db2.gz NBBXUTXCCPFLGA-UHFFFAOYSA-N 0 0 479.949 4.307 50 0 JIAARN Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1CC(=O)NCCc1ccc(Cl)cc1 ZINC000071327441 569696528 /nfs/dbraw/zinc/69/65/28/569696528.db2.gz XXBKRIQCIPRZRO-UHFFFAOYSA-N 0 0 466.756 4.158 50 0 JIAARN Cc1c(C(=O)Nc2ccc(C)cc2Br)nnn1CC(=O)Nc1cc(C)ccc1C ZINC000071327324 569696548 /nfs/dbraw/zinc/69/65/48/569696548.db2.gz SRALSYVWJIJRFC-UHFFFAOYSA-N 0 0 456.344 4.165 50 0 JIAARN CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCc3ccccc3Cl)c3ccccc32)cc1 ZINC000035509559 569697849 /nfs/dbraw/zinc/69/78/49/569697849.db2.gz UJWFSZFTTBMEPW-UHFFFAOYSA-N 0 0 492.963 4.440 50 0 JIAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3nc(Cc4ccccc4)nn3c2=O)cc1 ZINC000035516257 569698691 /nfs/dbraw/zinc/69/86/91/569698691.db2.gz PXGGTLWSJBXRCW-JJIBRWJFSA-N 0 0 491.576 4.151 50 0 JIAARN O=C(N[C@H](Cc1ccccc1)C(=O)NCC1(c2cccc(F)c2)CCOCC1)c1cccs1 ZINC000071823529 569698744 /nfs/dbraw/zinc/69/87/44/569698744.db2.gz OXQKLVQYGAFUJI-JOCHJYFZSA-N 0 0 466.578 4.093 50 0 JIAARN CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000071853523 569699036 /nfs/dbraw/zinc/69/90/36/569699036.db2.gz OQDFNDMYDPUYSC-INIZCTEOSA-N 0 0 464.385 4.066 50 0 JIAARN CCOc1cccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccc(OC)cc2)c1 ZINC000035527347 569699197 /nfs/dbraw/zinc/69/91/97/569699197.db2.gz XYMDCFXCNVAQPV-NDEPHWFRSA-N 0 0 458.558 4.368 50 0 JIAARN O=C(Nc1ccc2c(c1)CCC2)N1CCN(Cc2nc3cccnc3n2-c2cccc(F)c2)CC1 ZINC000035527421 569699226 /nfs/dbraw/zinc/69/92/26/569699226.db2.gz XXNZOUPWKYXPCF-UHFFFAOYSA-N 0 0 470.552 4.398 50 0 JIAARN O=C(Nc1ccc(F)cc1F)N1CCN(Cc2nc3cccnc3n2-c2cccc(F)c2)CC1 ZINC000035527416 569699230 /nfs/dbraw/zinc/69/92/30/569699230.db2.gz XNPKSJUPSQLYCX-UHFFFAOYSA-N 0 0 466.467 4.188 50 0 JIAARN CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)c4cccc(NC(C)=O)c4C)CC3)n2)c1 ZINC000035527713 569699335 /nfs/dbraw/zinc/69/93/35/569699335.db2.gz ZBAMQDKYJIGZRF-UHFFFAOYSA-N 0 0 475.549 4.372 50 0 JIAARN CCCCn1c2nnc(SCC(=O)Nc3ccc(OC)c(Cl)c3)n2c2ccsc2c1=O ZINC000035532030 569700590 /nfs/dbraw/zinc/70/05/90/569700590.db2.gz SSCKTBVIBNVULD-UHFFFAOYSA-N 0 0 477.999 4.299 50 0 JIAARN CCCCn1c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2c2ccsc2c1=O ZINC000035531973 569700614 /nfs/dbraw/zinc/70/06/14/569700614.db2.gz GWXMRRYPCFUFPI-UHFFFAOYSA-N 0 0 465.963 4.429 50 0 JIAARN O=C(CSc1nnc2n1c1ccsc1c(=O)n2Cc1ccccc1)NCc1ccc(Cl)cc1 ZINC000035532152 569700730 /nfs/dbraw/zinc/70/07/30/569700730.db2.gz JFZCNOKBWUJJOE-UHFFFAOYSA-N 0 0 496.017 4.216 50 0 JIAARN COc1cc(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)cc(OC)c1 ZINC000035533232 569701021 /nfs/dbraw/zinc/70/10/21/569701021.db2.gz ULXWOYFYAYLEJP-UHFFFAOYSA-N 0 0 459.597 4.071 50 0 JIAARN Cc1cc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c2cnn(Cc3cccs3)c2n1 ZINC000072260215 569701203 /nfs/dbraw/zinc/70/12/03/569701203.db2.gz POMKPTYQMKJOMV-QGZVFWFLSA-N 0 0 475.574 4.011 50 0 JIAARN COc1ccc(NC(=O)CSc2ncnc3nc(N4CCc5ccccc5C4)sc32)cc1OC ZINC000035533822 569701238 /nfs/dbraw/zinc/70/12/38/569701238.db2.gz LZXLLVCYEJLIMR-UHFFFAOYSA-N 0 0 493.614 4.397 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2ncnc3nc(N(C)Cc4ccccc4)sc32)cc1 ZINC000035534050 569701327 /nfs/dbraw/zinc/70/13/27/569701327.db2.gz FGPBIQKNGKTQQX-UHFFFAOYSA-N 0 0 479.587 4.240 50 0 JIAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3ccc(OC)cc3OC)c2s1 ZINC000035533982 569701336 /nfs/dbraw/zinc/70/13/36/569701336.db2.gz UZDKNOOUVFZNHL-UHFFFAOYSA-N 0 0 461.613 4.461 50 0 JIAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)N[C@@H](C)CCc1ccccc1 ZINC000035535105 569701662 /nfs/dbraw/zinc/70/16/62/569701662.db2.gz WIWDCRNCERKDSV-FQEVSTJZSA-N 0 0 453.542 4.073 50 0 JIAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(C(C)C)cc1 ZINC000035535035 569701681 /nfs/dbraw/zinc/70/16/81/569701681.db2.gz PFIIVLSWVIFWCY-UHFFFAOYSA-N 0 0 455.514 4.398 50 0 JIAARN CN1C(=O)N(CC(=O)Nc2cc(-c3cccs3)nn2-c2ccccc2)C(=O)C12CCCCC2 ZINC000072296342 569701907 /nfs/dbraw/zinc/70/19/07/569701907.db2.gz YGRLLHNTPXSVPW-UHFFFAOYSA-N 0 0 463.563 4.136 50 0 JIAARN COc1cc2c(cc1Cl)n(CC(=O)Nc1cccc(C)c1)cc(C(=O)c1ccncc1)c2=O ZINC000035535364 569701939 /nfs/dbraw/zinc/70/19/39/569701939.db2.gz KQZXRDWKDURTMB-UHFFFAOYSA-N 0 0 461.905 4.237 50 0 JIAARN COc1ccc(C2(C(=O)NCCn3ccc4ccc(Br)cc43)CCOCC2)cc1 ZINC000072324949 569702256 /nfs/dbraw/zinc/70/22/56/569702256.db2.gz AMDVBJSEZSVVBO-UHFFFAOYSA-N 0 0 457.368 4.277 50 0 biogenic JIAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000035537746 569702299 /nfs/dbraw/zinc/70/22/99/569702299.db2.gz YBSNUXZOEXCAIX-FOIQADDNSA-N 0 0 475.567 4.137 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)cc1 ZINC000035553362 569702529 /nfs/dbraw/zinc/70/25/29/569702529.db2.gz LJSDIBHBFLWLTE-INIZCTEOSA-N 0 0 493.589 4.218 50 0 JIAARN Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000035554877 569702685 /nfs/dbraw/zinc/70/26/85/569702685.db2.gz WJFJNILFJVEFHB-QGZVFWFLSA-N 0 0 486.619 4.332 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(C)cc4Cl)C3)c(C)s2)no1 ZINC000035555394 569702832 /nfs/dbraw/zinc/70/28/32/569702832.db2.gz VEDSHXZRKPKMTC-HNNXBMFYSA-N 0 0 495.026 4.416 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cc(C)cc(C)c4)C3)c(C)s2)no1 ZINC000035555676 569703087 /nfs/dbraw/zinc/70/30/87/569703087.db2.gz JTVBACHDTBWCCG-QGZVFWFLSA-N 0 0 488.635 4.325 50 0 JIAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000035555947 569703198 /nfs/dbraw/zinc/70/31/98/569703198.db2.gz SSIDIAVYGVLLDA-KRWDZBQOSA-N 0 0 486.619 4.413 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCCC2=CCCCC2)cc1 ZINC000035559471 569703804 /nfs/dbraw/zinc/70/38/04/569703804.db2.gz YOSICLZWGLMSQI-AREMUKBSSA-N 0 0 495.645 4.330 50 0 JIAARN O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1)N1CCCCC1 ZINC000035559700 569703930 /nfs/dbraw/zinc/70/39/30/569703930.db2.gz MECCNFLZPVMSCS-NRFANRHFSA-N 0 0 477.424 4.140 50 0 JIAARN CCCCNC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000035559706 569703957 /nfs/dbraw/zinc/70/39/57/569703957.db2.gz BNWSONRYLNMIFS-FQEVSTJZSA-N 0 0 465.413 4.044 50 0 JIAARN Cc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2Cc2ccccc2)cc1 ZINC000035561349 569704290 /nfs/dbraw/zinc/70/42/90/569704290.db2.gz AHHZKHISEALDQU-UHFFFAOYSA-N 0 0 461.587 4.178 50 0 JIAARN CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCc3ccccc3F)n2Cc2ccccc2)c1 ZINC000035561410 569704467 /nfs/dbraw/zinc/70/44/67/569704467.db2.gz ZLXDDHWJXMGAGQ-UHFFFAOYSA-N 0 0 465.550 4.009 50 0 JIAARN CCOC(=O)[C@]1(CCc2ccccc2)CCCN(C(=O)CCc2nc3cc(F)ccc3[nH]2)C1 ZINC000076981650 569704707 /nfs/dbraw/zinc/70/47/07/569704707.db2.gz YLMIEHMONQMVMR-SANMLTNESA-N 0 0 451.542 4.439 50 0 JIAARN COc1cccc2cc(C(=O)OC3CN(c4nc5c(cccc5C(F)(F)F)s4)C3)c(=O)oc21 ZINC000077101452 569704998 /nfs/dbraw/zinc/70/49/98/569704998.db2.gz VYENPSUAYUJSTI-UHFFFAOYSA-N 0 0 476.432 4.476 50 0 JIAARN CCCN(C(=O)COc1cccc2c1OC(C)(C)C2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000078726049 569706540 /nfs/dbraw/zinc/70/65/40/569706540.db2.gz QXNZLAPJWJLAJG-UHFFFAOYSA-N 0 0 450.579 4.322 50 0 JIAARN O=C(COC(=O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc21)N1CCCC1 ZINC000035684338 569706765 /nfs/dbraw/zinc/70/67/65/569706765.db2.gz WQTFSQLDXJCWFY-UHFFFAOYSA-N 0 0 450.564 4.128 50 0 JIAARN CCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)CCC(=O)OCC ZINC000035691281 569706982 /nfs/dbraw/zinc/70/69/82/569706982.db2.gz GDOIKBUPPBDPDY-UHFFFAOYSA-N 0 0 480.540 4.199 50 0 JIAARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)C(C(=O)OC)=C1C ZINC000035710497 569707797 /nfs/dbraw/zinc/70/77/97/569707797.db2.gz PZDZMPVZEPYXFK-JOCHJYFZSA-N 0 0 471.941 4.281 50 0 JIAARN CCCN1C(=O)N[C@@H](c2ccc(NC(=O)NCC)cc2)C(C(=O)OCC)=C1c1ccccc1 ZINC000035711464 569707893 /nfs/dbraw/zinc/70/78/93/569707893.db2.gz VNWLUIKYDMYPLE-NRFANRHFSA-N 0 0 450.539 4.279 50 0 JIAARN CCCCN1C(=O)N[C@@H](c2cccc(NC(=O)COCc3ccccc3)c2)C(C(=O)OC)=C1C ZINC000035711299 569707906 /nfs/dbraw/zinc/70/79/06/569707906.db2.gz OMFNCKZEKSIPMQ-DEOSSOPVSA-N 0 0 465.550 4.155 50 0 JIAARN Cc1ncn(-c2cc(N3CCN(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)CC3)ncn2)c1C ZINC000082230393 569708074 /nfs/dbraw/zinc/70/80/74/569708074.db2.gz MSEJAZUUQIUENL-UHFFFAOYSA-N 0 0 479.894 4.305 50 0 JIAARN CN(CC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl)S(=O)(=O)c1ccccc1 ZINC000083858931 569708680 /nfs/dbraw/zinc/70/86/80/569708680.db2.gz WVGQYBLWHVBQLK-CQSZACIVSA-N 0 0 459.420 4.232 50 0 JIAARN COc1ccc(-c2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccc4ccccc43)s2)cc1 ZINC000035725507 569708752 /nfs/dbraw/zinc/70/87/52/569708752.db2.gz UISRTMIBMYWUMI-HXUWFJFHSA-N 0 0 494.598 4.159 50 0 JIAARN Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3c(C)cc(C)cc3C)s2)cc1 ZINC000035725485 569708771 /nfs/dbraw/zinc/70/87/71/569708771.db2.gz OUJJTKDNKOOEFK-IBGZPJMESA-N 0 0 470.620 4.231 50 0 JIAARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000035744604 569709381 /nfs/dbraw/zinc/70/93/81/569709381.db2.gz ACSVYZJHDKQULL-OVCLIPMQSA-N 0 0 462.550 4.476 50 0 JIAARN COc1ccc(-c2nnc(NC(=O)[C@@H](C)NC(=O)Nc3cccc(C(F)(F)F)c3)s2)cc1 ZINC000035752966 569709620 /nfs/dbraw/zinc/70/96/20/569709620.db2.gz NVCJOQYUMMYJSI-LLVKDONJSA-N 0 0 465.457 4.381 50 0 JIAARN COCCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1 ZINC000035767703 569710027 /nfs/dbraw/zinc/71/00/27/569710027.db2.gz QYSGKLGARQFGPN-UHFFFAOYSA-N 0 0 458.917 4.390 50 0 JIAARN COCCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)c1cccc(Cl)c1 ZINC000035767713 569710032 /nfs/dbraw/zinc/71/00/32/569710032.db2.gz WPGQALKTIFVFPH-UHFFFAOYSA-N 0 0 458.917 4.390 50 0 JIAARN CCCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000035767899 569710066 /nfs/dbraw/zinc/71/00/66/569710066.db2.gz MBWQMDINPMDCOH-UHFFFAOYSA-N 0 0 458.555 4.357 50 0 JIAARN COCCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000035767712 569710086 /nfs/dbraw/zinc/71/00/86/569710086.db2.gz OJRGESOLFDYGND-DQEYMECFSA-N 0 0 464.537 4.226 50 0 JIAARN COc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)Nc4ccc(Cl)cc4F)n3n2)cc1OC ZINC000085602412 569711091 /nfs/dbraw/zinc/71/10/91/569711091.db2.gz FSAQEOAJBICIEZ-UHFFFAOYSA-N 0 0 489.916 4.037 50 0 JIAARN COc1cc(OC)cc(-c2noc(-c3ccc(CS(=O)(=O)Cc4ccccc4F)o3)n2)c1 ZINC000085644258 569712001 /nfs/dbraw/zinc/71/20/01/569712001.db2.gz DAXNXDWNVMSTAB-UHFFFAOYSA-N 0 0 458.467 4.268 50 0 JIAARN CCOc1ccccc1N1CCN(C(=O)c2cccc(CN3C(=O)COc4cc(C)ccc43)c2)CC1 ZINC000035829224 569712846 /nfs/dbraw/zinc/71/28/46/569712846.db2.gz TUGSFJJWLBNRRB-UHFFFAOYSA-N 0 0 485.584 4.282 50 0 JIAARN CCOC(=O)C[C@@H](NC(=O)N1CCc2c(sc3nc(-c4ccccc4)nn32)C1)c1ccccc1 ZINC000085651490 569713312 /nfs/dbraw/zinc/71/33/12/569713312.db2.gz MSLKRDPXVLVSGG-LJQANCHMSA-N 0 0 475.574 4.220 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)S(=O)(=O)c2ccccc2Cl)c1C ZINC000085712536 569715204 /nfs/dbraw/zinc/71/52/04/569715204.db2.gz UXZUDBDNYXRQLE-UHFFFAOYSA-N 0 0 450.944 4.446 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)S(=O)(=O)c2cc(C)ccc2NC(C)=O)c1C ZINC000085712544 569715218 /nfs/dbraw/zinc/71/52/18/569715218.db2.gz VDPUJOOSXKSHNX-UHFFFAOYSA-N 0 0 487.578 4.059 50 0 JIAARN C[C@H](C(=O)NCCc1c[nH]c2ccccc12)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000085813195 569715492 /nfs/dbraw/zinc/71/54/92/569715492.db2.gz KBVMJVKVAKOUQX-HNNXBMFYSA-N 0 0 480.055 4.279 50 0 JIAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035851676 569716585 /nfs/dbraw/zinc/71/65/85/569716585.db2.gz KPDRMPVLXMQCKG-SAQZZPNQSA-N 0 0 490.774 4.386 50 0 JIAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035852045 569716722 /nfs/dbraw/zinc/71/67/22/569716722.db2.gz PHNKIEJBFCVDLE-UNNNGVNHSA-N 0 0 490.774 4.386 50 0 JIAARN CC(C)c1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccccc4)CC2)n1)CC[C@H](C)C3 ZINC000035867898 569717821 /nfs/dbraw/zinc/71/78/21/569717821.db2.gz UCVZTQHUGSAGMU-KRWDZBQOSA-N 0 0 470.664 4.450 50 0 JIAARN Cc1ccc(-n2c(SCCN3C(=O)c4ccccc4S3(=O)=O)nnc2-c2ccccc2)cc1C ZINC000089643332 569719391 /nfs/dbraw/zinc/71/93/91/569719391.db2.gz DGHZUGCHOSPQEI-UHFFFAOYSA-N 0 0 490.610 4.488 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(Cn3c4ccccc4nc3SCC(C)C)CC2)cc1C ZINC000089643277 569719441 /nfs/dbraw/zinc/71/94/41/569719441.db2.gz RSOKCLAUHNUSNW-UHFFFAOYSA-N 0 0 472.680 4.365 50 0 JIAARN Cc1ccc2c(CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)cc(=O)oc2c1C ZINC000089665830 569719585 /nfs/dbraw/zinc/71/95/85/569719585.db2.gz KHVQLZDFYDTDSX-UHFFFAOYSA-N 0 0 481.401 4.223 50 0 JIAARN O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000089825848 569719990 /nfs/dbraw/zinc/71/99/90/569719990.db2.gz YWLJOSLWSSVLGM-HSZRJFAPSA-N 0 0 487.984 4.165 50 0 JIAARN CC[C@@H]1Oc2ccc(NC(=O)Cc3cccc(OC)c3)cc2CN(Cc2ccc3c(c2)OCO3)C1=O ZINC000035883433 569720021 /nfs/dbraw/zinc/72/00/21/569720021.db2.gz SSXGSUOMUDDDMM-QHCPKHFHSA-N 0 0 488.540 4.305 50 0 JIAARN O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000089845823 569720110 /nfs/dbraw/zinc/72/01/10/569720110.db2.gz IHHVOFKACCQPDA-UHFFFAOYSA-N 0 0 462.980 4.341 50 0 JIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(CCc2ccccc2OC)C(=O)[C@@H](C)O3)cc1 ZINC000035884813 569720242 /nfs/dbraw/zinc/72/02/42/569720242.db2.gz APDBSNPMLDIXQA-GOSISDBHSA-N 0 0 460.530 4.308 50 0 JIAARN COc1cccc(CC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2OC)C(=O)[C@@H](C)O3)c1 ZINC000035885134 569720356 /nfs/dbraw/zinc/72/03/56/569720356.db2.gz WETVOXJSPVGVML-GOSISDBHSA-N 0 0 460.530 4.195 50 0 JIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000089955501 569720633 /nfs/dbraw/zinc/72/06/33/569720633.db2.gz ZWOXWHJEOSMLHP-UZLBHIALSA-N 0 0 486.663 4.158 50 0 JIAARN C[C@H]1Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035886996 569720643 /nfs/dbraw/zinc/72/06/43/569720643.db2.gz YMEMGXGUAMUMHM-OAHLLOKOSA-N 0 0 458.486 4.075 50 0 JIAARN CC[C@@H]1Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035886984 569720690 /nfs/dbraw/zinc/72/06/90/569720690.db2.gz VZCRMJUECGWLLK-QFIPXVFZSA-N 0 0 454.523 4.326 50 0 JIAARN COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CCN(c4ccccc4F)C[C@H]23)cc1 ZINC000035893652 569722793 /nfs/dbraw/zinc/72/27/93/569722793.db2.gz MPMXIJAZMOWCPS-YIXXDRMTSA-N 0 0 459.565 4.061 50 0 JIAARN O=C(Cc1ccccc1)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908265 569724004 /nfs/dbraw/zinc/72/40/04/569724004.db2.gz NWTMPGSKVDIULQ-UHFFFAOYSA-N 0 0 488.595 4.298 50 0 JIAARN CC(C)CC(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908302 569724019 /nfs/dbraw/zinc/72/40/19/569724019.db2.gz MRKQZTMYBIGYNV-UHFFFAOYSA-N 0 0 454.578 4.101 50 0 JIAARN CC(C)(C)CC(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908277 569724027 /nfs/dbraw/zinc/72/40/27/569724027.db2.gz GWHYPYPZXNVXHI-UHFFFAOYSA-N 0 0 468.605 4.491 50 0 JIAARN COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)CN(Cc1ccccc1F)C(=O)[C@H](C)O2 ZINC000035909094 569724516 /nfs/dbraw/zinc/72/45/16/569724516.db2.gz BPRSYVKRHUBAHM-INIZCTEOSA-N 0 0 464.493 4.405 50 0 JIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(CCc2ccc(F)cc2)C(=O)CO3)cc1OC ZINC000035909457 569724742 /nfs/dbraw/zinc/72/47/42/569724742.db2.gz CMBNXPHSFODOKW-UHFFFAOYSA-N 0 0 464.493 4.059 50 0 JIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(Cc2ccc(OC)cc2OC)C(=O)[C@@H](C)O3)cc1 ZINC000035909805 569724945 /nfs/dbraw/zinc/72/49/45/569724945.db2.gz RAPJMMFAIOUORU-QGZVFWFLSA-N 0 0 476.529 4.274 50 0 JIAARN COc1cccc(C(=O)Nc2ccc3c(c2)CN(Cc2cccc(OC)c2OC)C(=O)[C@H](C)O3)c1 ZINC000035909738 569724956 /nfs/dbraw/zinc/72/49/56/569724956.db2.gz MJMRKGXZYRDQJX-KRWDZBQOSA-N 0 0 476.529 4.274 50 0 JIAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@H](C)C(=O)Nc2ccccc2)cc1 ZINC000095482658 569724970 /nfs/dbraw/zinc/72/49/70/569724970.db2.gz DULLDUGQRBZRAU-WXTAPIANSA-N 0 0 489.572 4.397 50 0 biogenic JIAARN COCc1nc(C2CC2)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1cccc(Cl)c1 ZINC000095536454 569725797 /nfs/dbraw/zinc/72/57/97/569725797.db2.gz MRWJCHNNWQXNNH-UHFFFAOYSA-N 0 0 466.969 4.300 50 0 JIAARN COc1ccccc1Cn1cnc2c1c(=O)n(CCC(C)C)c(=O)n2-c1ccc(Cl)cc1 ZINC000095537417 569725880 /nfs/dbraw/zinc/72/58/80/569725880.db2.gz QIJWLZGDYYLPQO-UHFFFAOYSA-N 0 0 452.942 4.105 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccco4)n3c2=O)nn1-c1cccc(C)c1C ZINC000035911999 569727115 /nfs/dbraw/zinc/72/71/15/569727115.db2.gz MMYNYCDEVNLUMX-UHFFFAOYSA-N 0 0 487.585 4.294 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(C3CCOCC3)nc(N3CCN(C(=O)C4CCCCC4)CC3)c12 ZINC000035912603 569727693 /nfs/dbraw/zinc/72/76/93/569727693.db2.gz BNFZAHMVNXXONN-UHFFFAOYSA-N 0 0 488.636 4.247 50 0 JIAARN COc1cccc(C(=O)N2CCN(c3nc(CC(C)C)nc4c3c(C)nn4-c3ccccc3)CC2)c1 ZINC000035912667 569727705 /nfs/dbraw/zinc/72/77/05/569727705.db2.gz GYHXJOTXBJGYEA-UHFFFAOYSA-N 0 0 484.604 4.293 50 0 JIAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)COCc3ccccc3)CC2)n1 ZINC000035912771 569727814 /nfs/dbraw/zinc/72/78/14/569727814.db2.gz QNENXBOEAKYXQB-UHFFFAOYSA-N 0 0 498.631 4.332 50 0 JIAARN CCOC(=O)[C@@H](C)Oc1cccn2c(=O)c(-c3cc(C)n(-c4ccc(Cl)cc4)n3)c(C)nc12 ZINC000035924593 569728062 /nfs/dbraw/zinc/72/80/62/569728062.db2.gz INFOSHCALRSLSS-MRXNPFEDSA-N 0 0 466.925 4.148 50 0 JIAARN CCOC(=O)CCCOc1cccn2c(=O)c(-c3cc(C)n(-c4cccc(C)c4)n3)c(C)nc12 ZINC000035924637 569728210 /nfs/dbraw/zinc/72/82/10/569728210.db2.gz KZLJWCIZXIERPB-UHFFFAOYSA-N 0 0 460.534 4.195 50 0 JIAARN CCOc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(CCCc3ccccc3)c4=O)n2)cc1OC ZINC000095613886 569728230 /nfs/dbraw/zinc/72/82/30/569728230.db2.gz LQGWOCZHQPJOSI-UHFFFAOYSA-N 0 0 498.539 4.447 50 0 JIAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000035925536 569728817 /nfs/dbraw/zinc/72/88/17/569728817.db2.gz QVDAPHHPQXUIGO-UHFFFAOYSA-N 0 0 458.541 4.260 50 0 JIAARN CC(C)(C)C(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925491 569728901 /nfs/dbraw/zinc/72/89/01/569728901.db2.gz GDRKKAAKEMVIMB-UHFFFAOYSA-N 0 0 468.605 4.491 50 0 JIAARN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCN(C(=O)CC(C)C)CC3)n2)cc1 ZINC000035926081 569729356 /nfs/dbraw/zinc/72/93/56/569729356.db2.gz YFSNJBZURIWHOV-UHFFFAOYSA-N 0 0 468.605 4.409 50 0 JIAARN Cc1[nH]nc(-c2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c(C)s2)c1C ZINC000095924953 569729952 /nfs/dbraw/zinc/72/99/52/569729952.db2.gz ABTZNVODOQCIIV-UHFFFAOYSA-N 0 0 451.017 4.228 50 0 JIAARN Cc1s/c(=N\C(=O)c2cccc(Cl)c2)n(Cc2ccc(C(=O)N3CCOCC3)cc2)c1C ZINC000095927251 569730498 /nfs/dbraw/zinc/73/04/98/569730498.db2.gz AUDOSRAXXLCETQ-LCUIJRPUSA-N 0 0 469.994 4.082 50 0 JIAARN Cn1c2cc(-c3cccc(C(=O)N[C@@H]4CCCC[C@@H]4OCc4ccccc4)c3)cnc2[nH]c1=O ZINC000095945774 569730957 /nfs/dbraw/zinc/73/09/57/569730957.db2.gz HRPPVPLCXCFENS-VWNXMTODSA-N 0 0 456.546 4.186 50 0 JIAARN COc1cc(C(=O)NCC(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)cc(OC)c1OC ZINC000095957245 569731588 /nfs/dbraw/zinc/73/15/88/569731588.db2.gz QVIMXMITLHEOMH-HSZRJFAPSA-N 0 0 456.583 4.253 50 0 JIAARN CCCCOc1ccc(C(=O)NCC(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc1 ZINC000095954693 569731606 /nfs/dbraw/zinc/73/16/06/569731606.db2.gz QOPGCHJERCBECR-UHFFFAOYSA-N 0 0 462.594 4.365 50 0 JIAARN CN(CCCNC(=O)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000095989743 569731807 /nfs/dbraw/zinc/73/18/07/569731807.db2.gz UAVPGFGFRIYJPS-UHFFFAOYSA-N 0 0 492.614 4.315 50 0 JIAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(F)cc1 ZINC000035945047 569732404 /nfs/dbraw/zinc/73/24/04/569732404.db2.gz FEMGCVWYCAZDOB-QFIPXVFZSA-N 0 0 489.613 4.000 50 0 JIAARN C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(Cc2nc(=O)c3c(-c4cccs4)csc3[nH]2)CC1 ZINC000096102403 569732753 /nfs/dbraw/zinc/73/27/53/569732753.db2.gz QNKKNZINQWLZLG-NVXWUHKLSA-N 0 0 471.652 4.119 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1F)C(=O)C1CCC1 ZINC000035945833 569733050 /nfs/dbraw/zinc/73/30/50/569733050.db2.gz JTTGPSAOUADLOX-HSZRJFAPSA-N 0 0 471.960 4.432 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccco1)C(=O)c1cccc(F)c1 ZINC000035946807 569734117 /nfs/dbraw/zinc/73/41/17/569734117.db2.gz PCJKKQRFQWAACK-QFIPXVFZSA-N 0 0 467.472 4.024 50 0 JIAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(C)C(=O)C2CCCC2)cc1OC ZINC000035947062 569734205 /nfs/dbraw/zinc/73/42/05/569734205.db2.gz QAPGLYPFQPWMAR-JOCHJYFZSA-N 0 0 467.541 4.169 50 0 JIAARN COc1cccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OC)c(O)c2)c1 ZINC000096115276 569734348 /nfs/dbraw/zinc/73/43/48/569734348.db2.gz OHJGDHLKBLPERU-QPPBQGQZSA-N 0 0 459.454 4.047 50 0 biogenic JIAARN Cn1c2ccccc2cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c1=O ZINC000096115512 569734554 /nfs/dbraw/zinc/73/45/54/569734554.db2.gz SHZHWTSBTGZIOS-QGZVFWFLSA-N 0 0 465.461 4.459 50 0 biogenic JIAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1 ZINC000035948895 569735749 /nfs/dbraw/zinc/73/57/49/569735749.db2.gz KTHZZLGQSNBYGD-LJQANCHMSA-N 0 0 463.003 4.147 50 0 JIAARN COc1ccc2cc([C@@H]3SC(C)=Nc4c3c(=O)[nH]n4[C@@H]3CCOC(C)(C)C3)c(=O)n(C)c2c1 ZINC000096118042 569735911 /nfs/dbraw/zinc/73/59/11/569735911.db2.gz ABTCMWAOIZTGJI-QRWLVFNGSA-N 0 0 468.579 4.053 50 0 JIAARN COc1ccc2cc([C@@H]3SC(C)=Nc4c3c(=O)[nH]n4[C@H]3CCOC(C)(C)C3)c(=O)n(C)c2c1 ZINC000096118043 569735945 /nfs/dbraw/zinc/73/59/45/569735945.db2.gz ABTCMWAOIZTGJI-YWZLYKJASA-N 0 0 468.579 4.053 50 0 JIAARN COc1ccc2[nH]c(=O)c([C@@H]3SC(C)=Nc4c3c(=O)[nH]n4[C@@H]3CCOC(C)(C)C3)cc2c1 ZINC000096118330 569736117 /nfs/dbraw/zinc/73/61/17/569736117.db2.gz QFLQRGHXIAUVDU-KUHUBIRLSA-N 0 0 454.552 4.043 50 0 JIAARN 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ZINC000001195048 194067154 /nfs/dbraw/zinc/06/71/54/194067154.db2.gz VPAUGJPEIKAPBH-UHFFFAOYSA-N 0 0 453.383 4.303 50 0 JIAARN O=S(=O)(NCc1ccccc1)c1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000001196006 194067391 /nfs/dbraw/zinc/06/73/91/194067391.db2.gz GVVZXIFXTCYAIB-UHFFFAOYSA-N 0 0 456.372 4.305 50 0 JIAARN COc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000001172274 194060781 /nfs/dbraw/zinc/06/07/81/194060781.db2.gz XAXCIFBOPRYPNF-UHFFFAOYSA-N 0 0 450.988 4.111 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2C)Cc2ccccc2)cc1 ZINC000001193583 194066395 /nfs/dbraw/zinc/06/63/95/194066395.db2.gz CXTVBQRFYINUBS-UHFFFAOYSA-N 0 0 458.967 4.487 50 0 JIAARN CC(C)(C)c1cc(CCC(=O)NCCN2C(=O)c3ccccc3C2=O)cc(C(C)(C)C)c1O ZINC000001193709 194066402 /nfs/dbraw/zinc/06/64/02/194066402.db2.gz OXYLNGUMLLFLGC-UHFFFAOYSA-N 0 0 450.579 4.332 50 0 JIAARN COc1ccc(OC)c(/C=C2\N=C(c3cc(I)ccc3Cl)OC2=O)c1 ZINC000001193682 194066429 /nfs/dbraw/zinc/06/64/29/194066429.db2.gz UPDXFKDVWRQLMV-NVNXTCNLSA-N 0 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194083364 /nfs/dbraw/zinc/08/33/64/194083364.db2.gz LSAXUKYAFQSPTA-UHFFFAOYSA-N 0 0 477.542 4.142 50 0 JIAARN CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@H]2[C@@H](C1=O)C1(O)c3ccccc3C2c2ccccc21 ZINC000001400853 194115012 /nfs/dbraw/zinc/11/50/12/194115012.db2.gz UJBFAYBHZXUHBZ-ZUKXXSLGSA-N 0 0 499.876 4.101 50 0 JIAARN COc1ccc(COc2ccc([C@@H]3[C@@H](S(=O)(=O)c4ccccc4)CON3C)cc2OC)cc1 ZINC000001402985 194115235 /nfs/dbraw/zinc/11/52/35/194115235.db2.gz NELPYWVWMMZRHW-LOSJGSFVSA-N 0 0 469.559 4.043 50 0 JIAARN Cc1cc(C)nc(SCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000001407235 194116141 /nfs/dbraw/zinc/11/61/41/194116141.db2.gz RYZIYEFNWYEHPL-KRWDZBQOSA-N 0 0 496.564 4.109 50 0 JIAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc(Br)cc2)cc1OC ZINC000001438324 194120555 /nfs/dbraw/zinc/12/05/55/194120555.db2.gz CYRCPSHCZPMGTN-OAQYLSRUSA-N 0 0 482.334 4.378 50 0 JIAARN COc1ccc(NC(=O)[C@@]2(C)CSc3ccccc3C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000001418826 194117554 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470.525 4.490 50 0 JIAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@H]1c1cccs1 ZINC000001816404 194145592 /nfs/dbraw/zinc/14/55/92/194145592.db2.gz PVQOHDPDWGOCAQ-WNPPMXKSSA-N 0 0 490.581 4.136 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(CSc2nc3ccccc3s2)o1 ZINC000001820580 194146096 /nfs/dbraw/zinc/14/60/96/194146096.db2.gz SNBJHOQBPNKJMI-UHFFFAOYSA-N 0 0 472.573 4.489 50 0 JIAARN Cc1cc(=O)n2c(n1)sc(C(=O)Nc1cccc(C)c1C)c2C(=O)Nc1ccc(F)cc1 ZINC000001907007 194154843 /nfs/dbraw/zinc/15/48/43/194154843.db2.gz QBWJHENXEOLYJR-UHFFFAOYSA-N 0 0 450.495 4.325 50 0 JIAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccco3)CC(=O)N12 ZINC000002111242 194156964 /nfs/dbraw/zinc/15/69/64/194156964.db2.gz MMLZCFZOEPXQOE-BKMJKUGQSA-N 0 0 455.514 4.045 50 0 biogenic JIAARN Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1Cc1ccccc1Cl ZINC000002646643 194163196 /nfs/dbraw/zinc/16/31/96/194163196.db2.gz HVMKOHQVRXJQIX-UHFFFAOYSA-N 0 0 453.955 4.463 50 0 JIAARN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)c(OC)c1 ZINC000002846862 194166398 /nfs/dbraw/zinc/16/63/98/194166398.db2.gz SHOZXINXIKCWMQ-UHFFFAOYSA-N 0 0 471.560 4.153 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)CSc1ncnc3sc4c(c31)CCCC4)CC2 ZINC000002890762 194167717 /nfs/dbraw/zinc/16/77/17/194167717.db2.gz NGRZHQPQVGDZNZ-UHFFFAOYSA-N 0 0 455.605 4.264 50 0 JIAARN O=C(CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1Cl)NC[C@H]1CCCO1 ZINC000002909389 194168675 /nfs/dbraw/zinc/16/86/75/194168675.db2.gz DVEFGMXDUDZXHQ-LLVKDONJSA-N 0 0 470.403 4.141 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)c2ccc(Br)cc2)cc1 ZINC000002958279 194180557 /nfs/dbraw/zinc/18/05/57/194180557.db2.gz JIPUVALRBSKIQC-UHFFFAOYSA-N 0 0 487.419 4.312 50 0 JIAARN CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1)C(=O)NCc1ccco1 ZINC000002927018 194172089 /nfs/dbraw/zinc/17/20/89/194172089.db2.gz BSGRNEDMLSWRIT-KRWDZBQOSA-N 0 0 470.986 4.278 50 0 JIAARN COc1ccccc1NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(Cl)c(C)c1 ZINC000002927128 194172131 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CCCCc1ccc(NC(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1 ZINC000003304206 194274211 /nfs/dbraw/zinc/27/42/11/194274211.db2.gz XMJZWTUSEPGELL-UHFFFAOYSA-N 0 0 477.538 4.202 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)cc1 ZINC000003309620 194276259 /nfs/dbraw/zinc/27/62/59/194276259.db2.gz SMHKQXIBPKFVAX-FQEVSTJZSA-N 0 0 451.306 4.013 50 0 JIAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 ZINC000003311041 194276619 /nfs/dbraw/zinc/27/66/19/194276619.db2.gz NCNHZSACMPNLQL-UHFFFAOYSA-N 0 0 481.530 4.194 50 0 JIAARN CNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)c1 ZINC000003311292 194276892 /nfs/dbraw/zinc/27/68/92/194276892.db2.gz QSUXARUUKHYDMY-FQEVSTJZSA-N 0 0 493.368 4.438 50 0 JIAARN Cc1c(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000003312322 194277215 /nfs/dbraw/zinc/27/72/15/194277215.db2.gz AJNQFBCJTYQJQJ-UHFFFAOYSA-N 0 0 456.502 4.024 50 0 JIAARN O=C(COC(=O)c1c2c(nc3ccccc31)CCC2)Nc1ccc(I)cc1 ZINC000003312632 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CCN(CC)C(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000009238747 194625924 /nfs/dbraw/zinc/62/59/24/194625924.db2.gz QTVHIFGFOAJBHY-RTBURBONSA-N 0 0 457.987 4.235 50 0 JIAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCCC2)C1=O ZINC000009218006 194603552 /nfs/dbraw/zinc/60/35/52/194603552.db2.gz CITWXJSVKFARSI-MHZLTWQESA-N 0 0 456.546 4.236 50 0 JIAARN Cc1ccc([C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c2cccs2)cc1 ZINC000009219056 194604704 /nfs/dbraw/zinc/60/47/04/194604704.db2.gz AAQWRLURFNLTAY-JOCHJYFZSA-N 0 0 491.034 4.250 50 0 JIAARN C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000009257974 194641838 /nfs/dbraw/zinc/64/18/38/194641838.db2.gz BWPSCHVSMNWNDX-QLXKLKPCSA-N 0 0 459.571 4.376 50 0 JIAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@H]2c2ccccc2F)cc1 ZINC000009260328 194642303 /nfs/dbraw/zinc/64/23/03/194642303.db2.gz GPJAFJQCZXKDQS-QHCPKHFHSA-N 0 0 487.578 4.046 50 0 JIAARN 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/nfs/dbraw/zinc/75/76/64/194757664.db2.gz QILDFLSPSYZNRA-IAGOWNOFSA-N 0 0 485.414 4.040 50 0 JIAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(cc(F)cc4F)s3)cc2)C1 ZINC000009416973 194763036 /nfs/dbraw/zinc/76/30/36/194763036.db2.gz YDNRQUBTVMXQOA-GFCCVEGCSA-N 0 0 451.520 4.247 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Cl ZINC000009424486 194766184 /nfs/dbraw/zinc/76/61/84/194766184.db2.gz MCBBQLSRDTVFSS-UHFFFAOYSA-N 0 0 455.927 4.374 50 0 JIAARN COc1ccc(Cc2nc3c4cnn(-c5cc(Cl)ccc5Cl)c4ncn3n2)cc1OC ZINC000009431245 194775944 /nfs/dbraw/zinc/77/59/44/194775944.db2.gz YUXIRWSSHKCYCG-UHFFFAOYSA-N 0 0 455.305 4.378 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@@H]1c1cccs1 ZINC000009432550 194777518 /nfs/dbraw/zinc/77/75/18/194777518.db2.gz MTLAPDOWPNJSNW-GOTSBHOMSA-N 0 0 464.543 4.085 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccc(OC)c2)[C@H]1c1cccs1 ZINC000009432767 194778001 /nfs/dbraw/zinc/77/80/01/194778001.db2.gz GSKIPBJGMSUMOW-XZOQPEGZSA-N 0 0 450.560 4.000 50 0 JIAARN Cc1ccc(C)c(N2CCN([C@H]3CCCC[C@H]3NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000009408729 194751384 /nfs/dbraw/zinc/75/13/84/194751384.db2.gz DTNXXURHARMYBF-PKTZIBPZSA-N 0 0 462.059 4.369 50 0 JIAARN CC(C)c1ccc(-c2nnc(NC(=O)C3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)s2)cc1 ZINC000009591519 194789399 /nfs/dbraw/zinc/78/93/99/194789399.db2.gz KDCZGUHSWQXFAU-UHFFFAOYSA-N 0 0 495.630 4.128 50 0 JIAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O ZINC000009595565 194794512 /nfs/dbraw/zinc/79/45/12/194794512.db2.gz JHCIYRMAFFTAEB-PMERELPUSA-N 0 0 497.595 4.398 50 0 JIAARN COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)NCCc4ccccc4)c(C)n3n2)c1 ZINC000009609173 194811828 /nfs/dbraw/zinc/81/18/28/194811828.db2.gz ZKFFEASMHUXAKS-UHFFFAOYSA-N 0 0 458.562 4.322 50 0 JIAARN Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CC(=O)NCCc2ccc(F)cc2)cc1 ZINC000009613177 194819527 /nfs/dbraw/zinc/81/95/27/194819527.db2.gz DTUUNQKLLRYZJE-LJQANCHMSA-N 0 0 458.537 4.334 50 0 JIAARN CC[C@@H](C)NC(=O)Cn1c2sc3c(c2c(=O)n(-c2ccc(Cl)c(Cl)c2)c1=O)CCCC3 ZINC000009615754 194823647 /nfs/dbraw/zinc/82/36/47/194823647.db2.gz QJSQOYCLKZSWLX-GFCCVEGCSA-N 0 0 480.417 4.314 50 0 JIAARN Cc1ccc(Cn2c3ccccc3c(=O)n(CCCCC(=O)NCCc3ccccc3)c2=O)cc1 ZINC000009617120 194824995 /nfs/dbraw/zinc/82/49/95/194824995.db2.gz DRJBBMOGAVRFNP-UHFFFAOYSA-N 0 0 469.585 4.049 50 0 JIAARN COC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 ZINC000009629913 194826813 /nfs/dbraw/zinc/82/68/13/194826813.db2.gz ANLKOOYZFCOGHV-LBPRGKRZSA-N 0 0 455.985 4.115 50 0 JIAARN Cc1cc(Cl)ccc1OCCCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009640639 194844870 /nfs/dbraw/zinc/84/48/70/194844870.db2.gz YUGJCODKUCWDCT-UHFFFAOYSA-N 0 0 458.942 4.413 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(COc4ccccc4)o3)CC2)cc1 ZINC000009641708 194846408 /nfs/dbraw/zinc/84/64/08/194846408.db2.gz VMAATYSQHFZKAO-UHFFFAOYSA-N 0 0 468.575 4.129 50 0 JIAARN COc1ccc(NC(=O)N2CCN(c3nnc(C)c4c(C)n(-c5ccc(Cl)cc5)nc43)CC2)cc1 ZINC000009642461 194847705 /nfs/dbraw/zinc/84/77/05/194847705.db2.gz CELDFFJATFTFJG-UHFFFAOYSA-N 0 0 491.983 4.448 50 0 JIAARN CN(C)c1ccc([C@H](CNC(=O)Cc2ccc3c(c2)OCCO3)c2c[nH]c3ccccc32)cc1 ZINC000009672093 194876253 /nfs/dbraw/zinc/87/62/53/194876253.db2.gz DFDDYPKEIQXSJC-QHCPKHFHSA-N 0 0 455.558 4.496 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cc2)C[C@@H](C)O1 ZINC000009672121 194876278 /nfs/dbraw/zinc/87/62/78/194876278.db2.gz IVMUJWDYQLQXJZ-GGPKGHCWSA-N 0 0 499.658 4.114 50 0 JIAARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Cl)cc1)CCC2 ZINC000009662337 194858135 /nfs/dbraw/zinc/85/81/35/194858135.db2.gz GPYWTLPRHNSXJC-QGZVFWFLSA-N 0 0 461.996 4.108 50 0 JIAARN O=C([C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccccc1)N1CCOCC1 ZINC000009663956 194861398 /nfs/dbraw/zinc/86/13/98/194861398.db2.gz XVTWYWRKUKHLJX-HSZRJFAPSA-N 0 0 471.586 4.081 50 0 JIAARN COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)cc1Cl ZINC000009664737 194862741 /nfs/dbraw/zinc/86/27/41/194862741.db2.gz AJHQEQLGRJJKPR-UHFFFAOYSA-N 0 0 480.995 4.174 50 0 JIAARN CCc1ccccc1N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000009678747 194883689 /nfs/dbraw/zinc/88/36/89/194883689.db2.gz MMLHIOQBXDIKHX-UHFFFAOYSA-N 0 0 495.620 4.241 50 0 JIAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000009723299 194919268 /nfs/dbraw/zinc/91/92/68/194919268.db2.gz VRTYRXSEZOWZQK-SFHVURJKSA-N 0 0 487.672 4.409 50 0 JIAARN CN(CC(=O)N1CCC(c2nc3ccccc3s2)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000009712209 194906125 /nfs/dbraw/zinc/90/61/25/194906125.db2.gz VTQRYMDWFKULPY-UHFFFAOYSA-N 0 0 479.627 4.476 50 0 JIAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000009713896 194909631 /nfs/dbraw/zinc/90/96/31/194909631.db2.gz OAECYPYSZWMZCG-UHFFFAOYSA-N 0 0 450.848 4.352 50 0 JIAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)N1CCN(C(=O)c2ccco2)CC1 ZINC000009715175 194912865 /nfs/dbraw/zinc/91/28/65/194912865.db2.gz 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Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CCc3nc(C)ncc3C2)c1 ZINC000012798984 195138324 /nfs/dbraw/zinc/13/83/24/195138324.db2.gz UUJUBZWKXQTCFN-JOCHJYFZSA-N 0 0 492.645 4.479 50 0 JIAARN CC(C)n1ncc2cc(C(=O)N(Cc3ccccc3)Cc3nc4ccccc4c(=O)[nH]3)cnc21 ZINC000012801679 195139531 /nfs/dbraw/zinc/13/95/31/195139531.db2.gz VPMNRXAUAHRAMM-UHFFFAOYSA-N 0 0 452.518 4.091 50 0 JIAARN CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000012804761 195140915 /nfs/dbraw/zinc/14/09/15/195140915.db2.gz UOUJSUQFNJPFGM-BCNHQIDUSA-N 0 0 451.611 4.298 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCc2ccc(F)cc2Cl)C(C)C)c1 ZINC000012810127 195143852 /nfs/dbraw/zinc/14/38/52/195143852.db2.gz RBZMVYZOELUGEY-OAQYLSRUSA-N 0 0 499.004 4.007 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000012816742 195147303 /nfs/dbraw/zinc/14/73/03/195147303.db2.gz TYTJOPCQYDJHSS-UHFFFAOYSA-N 0 0 480.924 4.259 50 0 JIAARN CN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012818725 195148118 /nfs/dbraw/zinc/14/81/18/195148118.db2.gz KYXKLZAUPDIQHU-UHFFFAOYSA-N 0 0 466.460 4.477 50 0 JIAARN Cc1cc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c(C)n1Cc1cccs1 ZINC000012820774 195149157 /nfs/dbraw/zinc/14/91/57/195149157.db2.gz LHWTWNYAUOMSTL-UHFFFAOYSA-N 0 0 450.608 4.048 50 0 JIAARN CCS(=O)(=O)N1CCC(C(=O)N(c2nc3ccccc3s2)c2ccc(C)c(F)c2)CC1 ZINC000012821771 195149563 /nfs/dbraw/zinc/14/95/63/195149563.db2.gz MYUYCCPOMKXWKE-UHFFFAOYSA-N 0 0 461.584 4.470 50 0 JIAARN Cc1ccc([C@@H]2C[C@H](C(F)F)n3ncc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)c3N2)cc1 ZINC000012845024 195151882 /nfs/dbraw/zinc/15/18/82/195151882.db2.gz RHGLGVYKKHGCGU-FCHUYYIVSA-N 0 0 495.530 4.279 50 0 JIAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)on4)cc3N2)cc1OC ZINC000012847595 195152957 /nfs/dbraw/zinc/15/29/57/195152957.db2.gz SSDLHDGRGKBIEW-BLLLJJGKSA-N 0 0 451.405 4.109 50 0 JIAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4ccc5c(c4)OCO5)c3N2)cc1 ZINC000012847982 195153182 /nfs/dbraw/zinc/15/31/82/195153182.db2.gz UWDHJSNUBHQZBW-YLJYHZDGSA-N 0 0 474.439 4.211 50 0 JIAARN COc1ccc(/C=C/C(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000012854104 195156358 /nfs/dbraw/zinc/15/63/58/195156358.db2.gz SUVVVZUIMMBQOZ-BPLPYTOXSA-N 0 0 474.545 4.072 50 0 JIAARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)cc1 ZINC000012873460 195164665 /nfs/dbraw/zinc/16/46/65/195164665.db2.gz PINQMNLRQXYFPI-IBGZPJMESA-N 0 0 452.523 4.247 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000012885208 195170184 /nfs/dbraw/zinc/17/01/84/195170184.db2.gz KIZARPQHIGGLSE-UHFFFAOYSA-N 0 0 465.145 4.370 50 0 JIAARN COc1ccc(CNC(=O)COc2cc3c(c4oc(=O)c(C)c(C)c24)CCC(C)(C)O3)cc1 ZINC000012887186 195170992 /nfs/dbraw/zinc/17/09/92/195170992.db2.gz GUXMCTURTQXEDZ-UHFFFAOYSA-N 0 0 451.519 4.217 50 0 biogenic JIAARN Cc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000012890850 195172815 /nfs/dbraw/zinc/17/28/15/195172815.db2.gz MFPBWUZPNFNQIQ-UHFFFAOYSA-N 0 0 472.950 4.402 50 0 JIAARN COc1ccccc1OCCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 ZINC000012900376 195177133 /nfs/dbraw/zinc/17/71/33/195177133.db2.gz ACVBBZHXANDDGJ-UHFFFAOYSA-N 0 0 487.647 4.486 50 0 JIAARN O=S(=O)(c1ccccc1)N(C[C@H](O)COCc1ccccc1)c1nc2ccccc2s1 ZINC000012890766 195172904 /nfs/dbraw/zinc/17/29/04/195172904.db2.gz LJMQYKDASDTHFO-IBGZPJMESA-N 0 0 454.573 4.069 50 0 JIAARN COc1cc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)cc(OC)c1OC ZINC000012894451 195174644 /nfs/dbraw/zinc/17/46/44/195174644.db2.gz BSFHBBHTNDAUQM-UHFFFAOYSA-N 0 0 467.518 4.412 50 0 biogenic JIAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000012896156 195175391 /nfs/dbraw/zinc/17/53/91/195175391.db2.gz BBLMRAVQCZITPI-UHFFFAOYSA-N 0 0 468.575 4.316 50 0 JIAARN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000012897719 195176154 /nfs/dbraw/zinc/17/61/54/195176154.db2.gz 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O=S(=O)(c1ccccc1Cl)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000012901512 195177500 /nfs/dbraw/zinc/17/75/00/195177500.db2.gz MORUWIXBYNRKAV-UHFFFAOYSA-N 0 0 452.363 4.155 50 0 JIAARN COc1cc(NC(=O)Cc2c(C)c3c(OC)cc4c(c3oc2=O)CCC(C)(C)O4)cc(OC)c1 ZINC000012901891 195177776 /nfs/dbraw/zinc/17/77/76/195177776.db2.gz DZIQLYXCWKYFKI-UHFFFAOYSA-N 0 0 467.518 4.412 50 0 biogenic JIAARN C[C@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000012906401 195179844 /nfs/dbraw/zinc/17/98/44/195179844.db2.gz OQDNYRUILUGRJW-HNNXBMFYSA-N 0 0 457.548 4.349 50 0 JIAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(Br)ccc1I ZINC000012905986 195179863 /nfs/dbraw/zinc/17/98/63/195179863.db2.gz LTWCRAPWHCSYPS-UHFFFAOYSA-N 0 0 485.119 4.433 50 0 JIAARN O=C(Nc1ccc(F)cc1F)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000020615472 195187344 /nfs/dbraw/zinc/18/73/44/195187344.db2.gz YGWKOKROBVODSW-SXEONFLVSA-N 0 0 465.493 4.148 50 0 JIAARN Cn1c(CN2CCN(C(=O)C3CCCCC3)CC2)nc2cc(NC(=O)Nc3ccccc3)ccc21 ZINC000020621958 195190269 /nfs/dbraw/zinc/19/02/69/195190269.db2.gz DKNDUEUDSLVCAC-UHFFFAOYSA-N 0 0 474.609 4.442 50 0 JIAARN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(Cc4nc5ccccc5n4C)CC3)cc2)cc1 ZINC000020621963 195190286 /nfs/dbraw/zinc/19/02/86/195190286.db2.gz WMMWAOXXHOJAOC-UHFFFAOYSA-N 0 0 469.589 4.221 50 0 JIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCN(CCc2ccccn2)CC1)occ3C(C)(C)C ZINC000020650293 195195692 /nfs/dbraw/zinc/19/56/92/195195692.db2.gz QTIDTXHXQZXIPS-UHFFFAOYSA-N 0 0 487.600 4.470 50 0 JIAARN O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000020676113 195200822 /nfs/dbraw/zinc/20/08/22/195200822.db2.gz HCOZEZHQHLASNJ-SANMLTNESA-N 0 0 456.546 4.085 50 0 JIAARN COc1ccc(NC(=S)N(CCCN2CCOCC2)Cc2cn(C)c3ccccc23)cc1 ZINC000020676458 195201122 /nfs/dbraw/zinc/20/11/22/195201122.db2.gz PBXSCDGXPXQLPX-UHFFFAOYSA-N 0 0 452.624 4.108 50 0 JIAARN O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCN(CCc2ccccn2)CC1 ZINC000020677518 195202797 /nfs/dbraw/zinc/20/27/97/195202797.db2.gz YMYKUFNOSHGIES-MHZLTWQESA-N 0 0 470.573 4.128 50 0 JIAARN COc1cc(CN(C(=S)NCC(=O)N[C@H]2CCCC[C@@H]2C)C2CCCC2)cc(OC)c1OC ZINC000020679788 195203736 /nfs/dbraw/zinc/20/37/36/195203736.db2.gz PYQNBHORNAPDAW-PXNSSMCTSA-N 0 0 477.671 4.026 50 0 JIAARN Cc1cccc(CS(=O)(=O)C[C@H]2Nc3ccc(C(=O)NC4CCCCCCC4)cc3NC2=O)c1 ZINC000020680265 195203847 /nfs/dbraw/zinc/20/38/47/195203847.db2.gz GKTUYTQXSOADDT-XMMPIXPASA-N 0 0 483.634 4.185 50 0 JIAARN O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000020716101 195205997 /nfs/dbraw/zinc/20/59/97/195205997.db2.gz ZAVIGKVIKJNSIE-SANMLTNESA-N 0 0 456.546 4.085 50 0 JIAARN COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1F ZINC000020722054 195206729 /nfs/dbraw/zinc/20/67/29/195206729.db2.gz MBOANVOIPXVEON-IBGZPJMESA-N 0 0 473.302 4.278 50 0 JIAARN O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2 ZINC000020728800 195208806 /nfs/dbraw/zinc/20/88/06/195208806.db2.gz KPJJOZGEPDXLQV-UHFFFAOYSA-N 0 0 491.588 4.199 50 0 JIAARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3nnnc1NC1CCCCC1 ZINC000020814560 195229372 /nfs/dbraw/zinc/22/93/72/195229372.db2.gz YSWHNGJQHGXLKW-UHFFFAOYSA-N 0 0 454.600 4.067 50 0 JIAARN O=C(Nc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1)C1(c2ccccc2)CCOCC1 ZINC000020746084 195215200 /nfs/dbraw/zinc/21/52/00/195215200.db2.gz KZMFQKBKXJBQNY-UHFFFAOYSA-N 0 0 483.612 4.332 50 0 JIAARN Cc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2ncn(Cc3ccccc3Cl)c(=O)c12 ZINC000020755975 195216063 /nfs/dbraw/zinc/21/60/63/195216063.db2.gz XGBOORIILYKQLP-UHFFFAOYSA-N 0 0 453.907 4.449 50 0 JIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCCOc3ccc(C(C)(C)C)cc3)cc2)S1 ZINC000020895421 195239360 /nfs/dbraw/zinc/23/93/60/195239360.db2.gz HEFJOVOGPKKSLL-QFIPXVFZSA-N 0 0 455.580 4.443 50 0 JIAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCc1ccc(Br)cc1 ZINC000020895482 195239577 /nfs/dbraw/zinc/23/95/77/195239577.db2.gz DWRMIBJFZYHARF-LJQANCHMSA-N 0 0 478.368 4.038 50 0 JIAARN 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CCn1nc(Br)nc1Sc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000033036379 523610358 /nfs/dbraw/zinc/61/03/58/523610358.db2.gz PTMSUIUMVPRTQN-UHFFFAOYSA-N 0 0 493.383 4.490 50 0 JIAARN COc1ccc(C(=O)N2CCC([C@@H](NC(=O)c3ccccc3Cl)C(=O)N3CCCCC3)CC2)cc1 ZINC000036209773 523623683 /nfs/dbraw/zinc/62/36/83/523623683.db2.gz CJHKJTUCMCQLJK-XMMPIXPASA-N 0 0 498.023 4.012 50 0 JIAARN COc1ccc(C(=O)N2CCC(c3nnc(C(=O)Nc4ccc(F)cc4F)s3)CC2)cc1 ZINC000033272992 523625899 /nfs/dbraw/zinc/62/58/99/523625899.db2.gz NRLDCRJVRCIDKN-UHFFFAOYSA-N 0 0 458.490 4.097 50 0 JIAARN COc1ccc(C(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)c(OC)c1 ZINC000046122707 523642374 /nfs/dbraw/zinc/64/23/74/523642374.db2.gz LFNUJKQIVAOXRT-AWEZNQCLSA-N 0 0 486.981 4.481 50 0 JIAARN COc1ccc(C(=O)N2CCN([C@@H](C(=O)Nc3ccc(Cl)cc3)C3CCCC3)CC2)cc1 ZINC000036311236 523649231 /nfs/dbraw/zinc/64/92/31/523649231.db2.gz XUHSLJKAMYVURY-HSZRJFAPSA-N 0 0 455.986 4.304 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000008754785 523652261 /nfs/dbraw/zinc/65/22/61/523652261.db2.gz IHTZRXNYGRNXFI-HSZRJFAPSA-N 0 0 466.559 4.322 50 0 JIAARN COc1ccc(C(=O)N2c3cc(CNS(=O)(=O)c4cccc(Cl)c4)ccc3C[C@@H]2C)cc1 ZINC000065003417 523679486 /nfs/dbraw/zinc/67/94/86/523679486.db2.gz RLLUMFBQSGAMNY-INIZCTEOSA-N 0 0 470.978 4.419 50 0 JIAARN CCc1c(C)nc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(F)cc2)[nH]c1=O ZINC000012464446 523712298 /nfs/dbraw/zinc/71/22/98/523712298.db2.gz WZVONHYMBUOQSK-GOSISDBHSA-N 0 0 456.568 4.311 50 0 JIAARN CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(C/C(Cl)=C/c1ccccc1)CC2 ZINC000014748178 523715683 /nfs/dbraw/zinc/71/56/83/523715683.db2.gz PRDJCOGQHQFCCW-PYCFMQQDSA-N 0 0 452.986 4.023 50 0 JIAARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000012420397 523741123 /nfs/dbraw/zinc/74/11/23/523741123.db2.gz VBVBQLRBYLLPSI-RUZDIDTESA-N 0 0 481.474 4.215 50 0 biogenic JIAARN COCCN(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)Nc1ccccc1 ZINC000016498644 523750951 /nfs/dbraw/zinc/75/09/51/523750951.db2.gz SNVWSBHNGCIHSK-UHFFFAOYSA-N 0 0 458.511 4.274 50 0 JIAARN COCCN(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)c1cccc(F)c1 ZINC000016498044 523751723 /nfs/dbraw/zinc/75/17/23/523751723.db2.gz BSRRIUNMNLCSIV-UHFFFAOYSA-N 0 0 461.486 4.021 50 0 JIAARN COCCN(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)c1ccccc1F ZINC000016653577 523753638 /nfs/dbraw/zinc/75/36/38/523753638.db2.gz NCDXVSUXJCPOHE-UHFFFAOYSA-N 0 0 461.486 4.021 50 0 JIAARN COc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4c(n3)sc3c4CCCC3)c2)cc1OC ZINC000008603857 523756652 /nfs/dbraw/zinc/75/66/52/523756652.db2.gz YETFMUCXXRCLCB-UHFFFAOYSA-N 0 0 491.569 4.483 50 0 JIAARN COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(-c3ccc(F)cc3)c2)CN1Cc1cccc(OC)c1OC ZINC000014973869 523764437 /nfs/dbraw/zinc/76/44/37/523764437.db2.gz HCVJGEXRXAZLSZ-RPWUZVMVSA-N 0 0 492.547 4.056 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000018037016 523780108 /nfs/dbraw/zinc/78/01/08/523780108.db2.gz HGWFHCGNIPELKV-OJJQZRKESA-N 0 0 468.484 4.107 50 0 JIAARN COc1ccc(C)cc1-n1c(=O)c2c(C)c(C)sc2nc1SCC(=O)Nc1cc(C)on1 ZINC000002624358 523799333 /nfs/dbraw/zinc/79/93/33/523799333.db2.gz KIPFYOHMPKXOSE-UHFFFAOYSA-N 0 0 470.576 4.408 50 0 JIAARN COc1ccc(C)cc1NC(=O)Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Cl)ccc21 ZINC000035462456 523828247 /nfs/dbraw/zinc/82/82/47/523828247.db2.gz ZXHFFTQHOKDZCV-UHFFFAOYSA-N 0 0 461.905 4.237 50 0 JIAARN COc1ccc(C)cc1NC(=O)Cn1nc(SC)c(-c2nc(-c3cccc(C)c3)no2)c1N ZINC000046914676 523829677 /nfs/dbraw/zinc/82/96/77/523829677.db2.gz YWSQPWSKFSRWKT-UHFFFAOYSA-N 0 0 464.551 4.168 50 0 JIAARN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000016475066 523836536 /nfs/dbraw/zinc/83/65/36/523836536.db2.gz SCTWLRJFNYPCGU-CQSZACIVSA-N 0 0 457.379 4.350 50 0 JIAARN CCc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000064951355 523866208 /nfs/dbraw/zinc/86/62/08/523866208.db2.gz MDUQZNQLYSZETO-UHFFFAOYSA-N 0 0 450.926 4.359 50 0 JIAARN CC[C@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)c1cccs1 ZINC000036069303 523870874 /nfs/dbraw/zinc/87/08/74/523870874.db2.gz BKAKITQXERXEBF-FQEVSTJZSA-N 0 0 477.634 4.042 50 0 JIAARN COc1ccc(C2=NN(C(=O)CSC3=NCCS3)[C@@H](c3cccc(OC)c3OC)C2)cc1 ZINC000016953455 523876846 /nfs/dbraw/zinc/87/68/46/523876846.db2.gz GWHWDPHFBVSPIK-LJQANCHMSA-N 0 0 471.604 4.226 50 0 JIAARN COc1ccc(C2=NO[C@H](CN(Cc3ccccc3Cl)C[C@H](O)COCC(C)C)C2)cc1 ZINC000036145837 523881211 /nfs/dbraw/zinc/88/12/11/523881211.db2.gz PNNNBHLZMCUODT-GMAHTHKFSA-N 0 0 461.002 4.377 50 0 JIAARN CCc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)N4CCC5(CC4)OCCO5)c3)C2)cc1 ZINC000033034875 523885831 /nfs/dbraw/zinc/88/58/31/523885831.db2.gz XNZHFZCFRWNRKP-VWLOTQADSA-N 0 0 462.590 4.248 50 0 JIAARN COCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2n(C)c1-c1cccc(OC)c1 ZINC000013945678 523891949 /nfs/dbraw/zinc/89/19/49/523891949.db2.gz BTMGWMJVNNASJI-MUUNZHRXSA-N 0 0 483.568 4.162 50 0 JIAARN COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000046086857 523894652 /nfs/dbraw/zinc/89/46/52/523894652.db2.gz YSBDCWNNIBWMBU-PKTZIBPZSA-N 0 0 452.595 4.029 50 0 JIAARN CCc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(OC(F)(F)F)cc4)C3)o2)cc1 ZINC000033291201 523897782 /nfs/dbraw/zinc/89/77/82/523897782.db2.gz GTRSYVCOVCHOCW-OAHLLOKOSA-N 0 0 460.412 4.303 50 0 JIAARN CC[C@H](C)Cc1c(C)sc2[nH]c(S[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)nc(=O)c12 ZINC000008723922 523905643 /nfs/dbraw/zinc/90/56/43/523905643.db2.gz XYTVXESSYGLVNX-GXTWGEPZSA-N 0 0 473.620 4.407 50 0 JIAARN COCCNC(=O)[C@@H]1[C@@H](c2cccc(NC(=O)c3cccs3)c2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036218820 523914945 /nfs/dbraw/zinc/91/49/45/523914945.db2.gz RPOYRWYXSCXFMA-XZOQPEGZSA-N 0 0 493.585 4.134 50 0 JIAARN COCCNC(=O)c1ccc(Cn2c(SCc3ccccc3C)nc3ccccc3c2=O)cc1 ZINC000012414611 523923628 /nfs/dbraw/zinc/92/36/28/523923628.db2.gz ASTGESGKYHQULM-UHFFFAOYSA-N 0 0 473.598 4.422 50 0 JIAARN CC[C@H](C)N(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1ccco1 ZINC000036071201 523925583 /nfs/dbraw/zinc/92/55/83/523925583.db2.gz KQWSASCGQNLTPS-NRFANRHFSA-N 0 0 475.593 4.025 50 0 JIAARN COc1ccc(CCC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)s2)cc1 ZINC000013942587 523927072 /nfs/dbraw/zinc/92/70/72/523927072.db2.gz PQXZWOIEXUPBTC-GOSISDBHSA-N 0 0 450.564 4.255 50 0 JIAARN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COC(=O)c1cc(C)n(C2CC2)c1C ZINC000016694595 523929230 /nfs/dbraw/zinc/92/92/30/523929230.db2.gz MLMQARWOZFJGNA-KRWDZBQOSA-N 0 0 453.583 4.479 50 0 JIAARN COc1ccc(CCN(C)C(=O)CN2Cc3ccccc3O[C@H](c3ccccc3OC)C2)cc1OC ZINC000014995490 523939124 /nfs/dbraw/zinc/93/91/24/523939124.db2.gz JDINCPAVGJJPED-NDEPHWFRSA-N 0 0 490.600 4.349 50 0 JIAARN CCc1ccc(CNS(=O)(=O)c2cc(-c3cnn4c3nc(C)cc4C)ccc2OC)cc1 ZINC000033171441 523945087 /nfs/dbraw/zinc/94/50/87/523945087.db2.gz RIOBIURFOWPJAW-UHFFFAOYSA-N 0 0 450.564 4.063 50 0 JIAARN COc1ccc(CCN2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]2CC(=O)Nc2ccccc2)cc1 ZINC000008599946 523946841 /nfs/dbraw/zinc/94/68/41/523946841.db2.gz TVXOSWAUCKDDER-XMMPIXPASA-N 0 0 473.529 4.113 50 0 JIAARN COc1ccc(CCN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NC2CCCCC2)cc1OC ZINC000020387441 523947956 /nfs/dbraw/zinc/94/79/56/523947956.db2.gz NZAQCVFQXVVSAI-MHZLTWQESA-N 0 0 450.579 4.152 50 0 JIAARN CC[C@H](C)N1C(=O)c2c(NC(C)=O)c3cc(F)ccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021866612 523948315 /nfs/dbraw/zinc/94/83/15/523948315.db2.gz KCHHSAIRJFEBIC-MQNRADLISA-N 0 0 456.562 4.201 50 0 JIAARN COc1ccc(CCN2C(=S)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000006973460 523948695 /nfs/dbraw/zinc/94/86/95/523948695.db2.gz TXPNKHPJVNIROM-DEOSSOPVSA-N 0 0 489.597 4.277 50 0 JIAARN COc1ccc(CCNC(=O)CCc2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)cc1OC ZINC000033283379 523956344 /nfs/dbraw/zinc/95/63/44/523956344.db2.gz NVIQXANRVIJUTH-UHFFFAOYSA-N 0 0 478.593 4.282 50 0 JIAARN COc1ccc(CCNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)cc1OC ZINC000021882579 523956867 /nfs/dbraw/zinc/95/68/67/523956867.db2.gz VDOUDCUZUQKZDA-QGZVFWFLSA-N 0 0 497.661 4.444 50 0 JIAARN COc1ccc(CCNC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1OC ZINC000008609183 523960844 /nfs/dbraw/zinc/96/08/44/523960844.db2.gz MOPJQRAFYUWQAA-UHFFFAOYSA-N 0 0 495.938 4.232 50 0 JIAARN COCCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000016608835 523967753 /nfs/dbraw/zinc/96/77/53/523967753.db2.gz FYVVZIHSXDZYLM-DEOSSOPVSA-N 0 0 489.597 4.417 50 0 JIAARN COc1ccc(CCNC(=O)c2c(N)n(-c3ccc(OC)c(OC)c3)c3nc4ccccc4nc32)cc1 ZINC000006150516 523968495 /nfs/dbraw/zinc/96/84/95/523968495.db2.gz FQDXJSBGYIAUCQ-UHFFFAOYSA-N 0 0 497.555 4.154 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1OC ZINC000033170746 523969947 /nfs/dbraw/zinc/96/99/47/523969947.db2.gz CQUKKJFJJFCWJU-UHFFFAOYSA-N 0 0 462.550 4.249 50 0 biogenic JIAARN CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)CC2)cc1 ZINC000033086610 523970792 /nfs/dbraw/zinc/97/07/92/523970792.db2.gz RDFKPTFNZCHYFL-UHFFFAOYSA-N 0 0 488.997 4.300 50 0 JIAARN CCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)CC2)cc1 ZINC000008618985 523970797 /nfs/dbraw/zinc/97/07/97/523970797.db2.gz VFZYASUJPYBXST-OSFYOIPJSA-N 0 0 497.661 4.270 50 0 JIAARN CC[C@H](C)NC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Oc2ccccc21 ZINC000020180902 523971146 /nfs/dbraw/zinc/97/11/46/523971146.db2.gz LRHMUYFXSJWKAN-PVGUKEHMSA-N 0 0 459.340 4.139 50 0 JIAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)COC(=O)c2cc(C)sc2C)cc1 ZINC000026224584 523971625 /nfs/dbraw/zinc/97/16/25/523971625.db2.gz FRAPYPGFTQWKAA-UHFFFAOYSA-N 0 0 466.559 4.142 50 0 JIAARN COc1ccc(CCNC(=S)Nc2ncn(Cc3ccc(Cl)c(Cl)c3)n2)cc1OC ZINC000002859168 523973663 /nfs/dbraw/zinc/97/36/63/523973663.db2.gz YGZXCISXGKHTOX-UHFFFAOYSA-N 0 0 466.394 4.180 50 0 JIAARN CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)Nc3ccccc3)c2=O)cc1 ZINC000045898640 523977045 /nfs/dbraw/zinc/97/70/45/523977045.db2.gz NJKGOSLXEWEINQ-UHFFFAOYSA-N 0 0 498.583 4.173 50 0 JIAARN COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3cccnc3N3CCCC3)c2C)cc1 ZINC000014633112 523986267 /nfs/dbraw/zinc/98/62/67/523986267.db2.gz DQSBOUZYGDWUJX-UHFFFAOYSA-N 0 0 461.562 4.391 50 0 JIAARN COc1ccc(CN(C(=O)/C=C/c2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000002265316 523987933 /nfs/dbraw/zinc/98/79/33/523987933.db2.gz YUNZJMIUCDDQBQ-KRZKXXONSA-N 0 0 484.401 4.240 50 0 JIAARN COc1ccc(CN(C(=O)COC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)C2CC2)cc1 ZINC000014846457 523988902 /nfs/dbraw/zinc/98/89/02/523988902.db2.gz SYBQKXHTKAVOIY-UHFFFAOYSA-N 0 0 477.536 4.247 50 0 JIAARN COc1ccc(CN(C(=O)Cn2cnc3ccsc3c2=O)[C@@H](C)Cc2cccs2)cc1 ZINC000026020040 523989628 /nfs/dbraw/zinc/98/96/28/523989628.db2.gz GTQKGORRWXERSN-INIZCTEOSA-N 0 0 453.589 4.188 50 0 JIAARN COc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCc3ccccn3)cc2)cc1 ZINC000034675955 523990792 /nfs/dbraw/zinc/99/07/92/523990792.db2.gz FRQZKHZPGOUCGN-UHFFFAOYSA-N 0 0 455.514 4.389 50 0 JIAARN COc1ccc(CN(C(=O)c2ccc(Cl)cc2)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000018137436 523991069 /nfs/dbraw/zinc/99/10/69/523991069.db2.gz KYEDUPXJHYBACL-JOCHJYFZSA-N 0 0 466.896 4.462 50 0 JIAARN CCc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)c2)cc1 ZINC000064999862 523992490 /nfs/dbraw/zinc/99/24/90/523992490.db2.gz VNYJZBPQIDUBEZ-UHFFFAOYSA-N 0 0 456.589 4.251 50 0 JIAARN COc1ccc(CN(C)C(=O)COC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1 ZINC000089568285 523993918 /nfs/dbraw/zinc/99/39/18/523993918.db2.gz KGJBFXVGYFUJMI-UHFFFAOYSA-N 0 0 467.522 4.359 50 0 JIAARN CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)ccc2OC)cc1 ZINC000016599762 523996021 /nfs/dbraw/zinc/99/60/21/523996021.db2.gz QKDNLMMUFOFUGC-HSZRJFAPSA-N 0 0 481.618 4.091 50 0 JIAARN CCc1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)Nc4cccc(C(C)=O)c4)nc23)cc1 ZINC000035424898 524008843 /nfs/dbraw/zinc/00/88/43/524008843.db2.gz AASPWVBNWJYMDY-UHFFFAOYSA-N 0 0 481.512 4.240 50 0 JIAARN CN1c2cc(NC(=O)N3CCN(C(=O)c4ccco4)CC3)ccc2Sc2ccccc2C1=O ZINC000020465028 524031906 /nfs/dbraw/zinc/03/19/06/524031906.db2.gz PSWAAOFTAJJABR-UHFFFAOYSA-N 0 0 462.531 4.011 50 0 JIAARN CN1c2ccc(NC(=O)CNC(=O)Cc3ccc(Cl)cc3)cc2Sc2ccccc2C1=O ZINC000021653027 524032669 /nfs/dbraw/zinc/03/26/69/524032669.db2.gz RGFDXFCHLHBLQM-UHFFFAOYSA-N 0 0 465.962 4.379 50 0 JIAARN COc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000002850986 524043853 /nfs/dbraw/zinc/04/38/53/524043853.db2.gz PKLWQKKXJPENFC-VWLOTQADSA-N 0 0 451.906 4.365 50 0 JIAARN CCc1ccc([C@H](C)NC(=O)c2ccc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)cc1 ZINC000033028210 524045201 /nfs/dbraw/zinc/04/52/01/524045201.db2.gz KQKCDOPTCANZTB-SFHVURJKSA-N 0 0 479.602 4.177 50 0 JIAARN CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)cc(=O)c2c1 ZINC000008917631 524061549 /nfs/dbraw/zinc/06/15/49/524061549.db2.gz KOJACCKIJGHAIG-INIZCTEOSA-N 0 0 454.548 4.028 50 0 JIAARN CCc1cccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2ccc(Br)cc2F)c1 ZINC000064951142 524061799 /nfs/dbraw/zinc/06/17/99/524061799.db2.gz HAOCIJLVYDYFBS-UHFFFAOYSA-N 0 0 469.314 4.290 50 0 JIAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccccc3)C2)c(OC)c1 ZINC000033168868 524062818 /nfs/dbraw/zinc/06/28/18/524062818.db2.gz JJOCAHNJYXCXSF-LJQANCHMSA-N 0 0 464.591 4.178 50 0 JIAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccc(C)c(C)c4)nn3)C2)cc1OC ZINC000048990672 524064163 /nfs/dbraw/zinc/06/41/63/524064163.db2.gz MIOURDKBYGEIGH-QFIPXVFZSA-N 0 0 460.578 4.310 50 0 JIAARN COc1ccc(CNC(=O)c2cc3c(n(-c4ccc(C(F)(F)F)cc4)c2=O)CCCC3=O)cc1 ZINC000033126937 524065927 /nfs/dbraw/zinc/06/59/27/524065927.db2.gz ICVFSSLTWRXWGJ-UHFFFAOYSA-N 0 0 470.447 4.314 50 0 JIAARN COc1ccc(CNC(=O)c2ccc(OCc3nnc(C(=O)Nc4cccc(F)c4)s3)cc2)cc1 ZINC000033114262 524066610 /nfs/dbraw/zinc/06/66/10/524066610.db2.gz HDLSOHCSPJXVPP-UHFFFAOYSA-N 0 0 492.532 4.447 50 0 JIAARN COc1ccc(CNC(=O)c2ccc([C@@H]3Nc4cc(C(F)(F)F)ccc4S(=O)(=O)N3)cc2)cc1 ZINC000033063364 524066774 /nfs/dbraw/zinc/06/67/74/524066774.db2.gz OZOGZHSHZMEPMI-OAQYLSRUSA-N 0 0 491.491 4.047 50 0 JIAARN COc1ccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)cc1 ZINC000033130044 524067153 /nfs/dbraw/zinc/06/71/53/524067153.db2.gz MTXAJKRAKMOBOD-UHFFFAOYSA-N 0 0 464.587 4.467 50 0 biogenic JIAARN Cc1cccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(CC(C)C)cc4)CC3)ncn2)c1 ZINC000064929185 524105534 /nfs/dbraw/zinc/10/55/34/524105534.db2.gz SHBCNIWSAHKWRP-UHFFFAOYSA-N 0 0 450.608 4.161 50 0 JIAARN Cc1cccc(-c2c3c(c4n2-c2ccccc2N[C@@H]4c2ccc(O)cc2)n(C)c(=O)n(C)c3=O)c1 ZINC000021659039 524106742 /nfs/dbraw/zinc/10/67/42/524106742.db2.gz VXAQEWSAMTUREA-HSZRJFAPSA-N 0 0 464.525 4.224 50 0 JIAARN Cc1ccc(C)c(NC(=O)CCc2nc(CSc3n[nH]c(-c4cccc(F)c4)n3)no2)c1 ZINC000033270949 524135293 /nfs/dbraw/zinc/13/52/93/524135293.db2.gz PUUHQVMJPMTQFD-UHFFFAOYSA-N 0 0 452.515 4.474 50 0 JIAARN Cc1ccc(C)c(NC(=O)COC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1 ZINC000012426810 524136885 /nfs/dbraw/zinc/13/68/85/524136885.db2.gz XXXPFPLGPVVSCV-QGZVFWFLSA-N 0 0 452.454 4.307 50 0 JIAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(Br)cc3)c2=O)c1C ZINC000067218412 524138908 /nfs/dbraw/zinc/13/89/08/524138908.db2.gz QNPLMDWFNSYISO-UHFFFAOYSA-N 0 0 484.375 4.232 50 0 JIAARN Cc1cccc(-n2nc3c(c2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CS(=O)(=O)C3)c1 ZINC000008910459 524146628 /nfs/dbraw/zinc/14/66/28/524146628.db2.gz JVYPZYOYEATPIA-UHFFFAOYSA-N 0 0 459.955 4.059 50 0 JIAARN COc1cccc([C@H](C)NC(=O)c2ccc(CN3c4ccccc4C(=O)N4CCC[C@H]4C3=O)cc2)c1 ZINC000035458298 524151863 /nfs/dbraw/zinc/15/18/63/524151863.db2.gz DUHRXWJQSFNLSD-SIBVEZHUSA-N 0 0 483.568 4.338 50 0 JIAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(CCC(N)=O)n2CC(C)C)c2ccccc2)c1 ZINC000017274293 524156760 /nfs/dbraw/zinc/15/67/60/524156760.db2.gz JFGGBYAOWIOCJH-HSZRJFAPSA-N 0 0 465.623 4.441 50 0 JIAARN COc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000033686907 524162509 /nfs/dbraw/zinc/16/25/09/524162509.db2.gz AWMUJSVFSBPSSI-UHFFFAOYSA-N 0 0 450.970 4.309 50 0 JIAARN COc1ccc(Cl)c(-c2noc3ncn(CCC(=O)Nc4cccc(C)c4C)c(=O)c32)c1 ZINC000033250026 524172729 /nfs/dbraw/zinc/17/27/29/524172729.db2.gz KDVOUICAHSOKNJ-UHFFFAOYSA-N 0 0 452.898 4.359 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000064931057 524187803 /nfs/dbraw/zinc/18/78/03/524187803.db2.gz WRNIJDQPJGBKHI-KRWDZBQOSA-N 0 0 460.556 4.072 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCC[C@@H](C[NH+]4CCCC4)C3)c(C(=O)[O-])c2)c1 ZINC000033253733 524194325 /nfs/dbraw/zinc/19/43/25/524194325.db2.gz WADVFNVMUOPSMX-FQEVSTJZSA-N 0 0 471.623 4.115 50 0 JIAARN COc1ccc(Cl)cc1C1=N/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)C(=O)O1 ZINC000016212416 524200108 /nfs/dbraw/zinc/20/01/08/524200108.db2.gz BCOOQJNAPYXZML-UNOMPAQXSA-N 0 0 499.928 4.469 50 0 JIAARN COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 ZINC000013324462 524206830 /nfs/dbraw/zinc/20/68/30/524206830.db2.gz WNFDRWRLTFPBBQ-UHFFFAOYSA-N 0 0 454.354 4.369 50 0 JIAARN C[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccccc1Br)N1C(=O)c2ccccc2C1=O ZINC000002206263 524226317 /nfs/dbraw/zinc/22/63/17/524226317.db2.gz WHXIHKIRSHMIJD-BTYIYWSLSA-N 0 0 463.331 4.339 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CSc1nccc(N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000033309993 524227701 /nfs/dbraw/zinc/22/77/01/524227701.db2.gz GZLRTVHQQULANS-UHFFFAOYSA-N 0 0 487.988 4.335 50 0 JIAARN COc1cccc2cc(C(=O)Nc3ccccc3Cl)/c(=N/NS(=O)(=O)c3ccc(C)cc3)oc21 ZINC000012437585 524259008 /nfs/dbraw/zinc/25/90/08/524259008.db2.gz BVBDIQFEKMWKJX-PNHLSOANSA-N 0 0 497.960 4.450 50 0 JIAARN COc1ccc(Cn2nnnc2SCc2csc(-c3cccc(OC)c3OC)n2)cc1 ZINC000016369172 524267641 /nfs/dbraw/zinc/26/76/41/524267641.db2.gz UPXFHONNBLXUMR-UHFFFAOYSA-N 0 0 455.565 4.163 50 0 JIAARN Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)[C@@H]1CCC(=O)N1 ZINC000013892696 524297519 /nfs/dbraw/zinc/29/75/19/524297519.db2.gz VMNRQMZSYQMCOY-OZXSUGGESA-N 0 0 455.558 4.291 50 0 JIAARN COc1ccccc1/C=C(\NC(=O)c1ccc(OC)c(OC)c1)C(=O)Nc1cccc(F)c1 ZINC000027521750 524312518 /nfs/dbraw/zinc/31/25/18/524312518.db2.gz BOPINEPRQGMBMP-MOSHPQCFSA-N 0 0 450.466 4.261 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)c2nnn3c2nc(NCCCOC(C)C)c2ccccc23)c(C)c1 ZINC000020356009 524327115 /nfs/dbraw/zinc/32/71/15/524327115.db2.gz ZNVVRUIMCCZIRQ-UHFFFAOYSA-N 0 0 467.595 4.263 50 0 JIAARN COc1ccccc1C(=O)N(Cc1cccc(OC)c1OCc1nc(CO)cs1)C1CC1 ZINC000036094535 524339977 /nfs/dbraw/zinc/33/99/77/524339977.db2.gz RLJQKFYZVRSTEP-UHFFFAOYSA-N 0 0 454.548 4.036 50 0 JIAARN COc1ccccc1C(=O)N1CCC([C@H](NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)CC1 ZINC000036209820 524341051 /nfs/dbraw/zinc/34/10/51/524341051.db2.gz IKKOTWVRHLFJTG-DEOSSOPVSA-N 0 0 498.023 4.012 50 0 JIAARN COc1ccccc1CCC(=O)N1CCC2(C[C@@H]2C(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000014972146 524392306 /nfs/dbraw/zinc/39/23/06/524392306.db2.gz IAIAGYRGEXXTNO-RUZDIDTESA-N 0 0 490.644 4.121 50 0 JIAARN Cc1cccc(CN2c3cc(C(=O)OC[C@@H]4CCCO4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000008599483 524411311 /nfs/dbraw/zinc/41/13/11/524411311.db2.gz GTFIWYNXFAOYOV-NRFANRHFSA-N 0 0 491.565 4.324 50 0 JIAARN Cc1cc(C)cc(OCC(=O)Nc2ccccc2SCc2cc(=O)n3c(ncn3CC(C)C)n2)c1 ZINC000021797539 524440619 /nfs/dbraw/zinc/44/06/19/524440619.db2.gz VGUABRHSEWPWIN-UHFFFAOYSA-N 0 0 491.617 4.474 50 0 JIAARN COc1ccccc1CN1C(=O)C(=O)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000071328671 524445723 /nfs/dbraw/zinc/44/57/23/524445723.db2.gz VDYLTDLZPNUCGG-NRFANRHFSA-N 0 0 453.491 4.161 50 0 JIAARN Cc1cc(C)cc(OCc2nnc(C(=O)Nc3ccc(C(=O)NCc4cccnc4)cc3)s2)c1 ZINC000033031883 524455539 /nfs/dbraw/zinc/45/55/39/524455539.db2.gz OILBXYXLRVGOJX-UHFFFAOYSA-N 0 0 473.558 4.311 50 0 JIAARN Cc1cc(C)cc(S(=O)(=O)Nc2ccc(N3CCC([NH+]4CCCCC4)CC3)c(C(=O)[O-])c2)c1 ZINC000033253617 524456785 /nfs/dbraw/zinc/45/67/85/524456785.db2.gz YIKUSFPXXUNQCA-UHFFFAOYSA-N 0 0 471.623 4.257 50 0 JIAARN Cc1cc(C)cc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3F)s2)c1 ZINC000064941637 524456909 /nfs/dbraw/zinc/45/69/09/524456909.db2.gz BFPGYHYAXYLTAW-SFHVURJKSA-N 0 0 478.546 4.211 50 0 JIAARN Cc1cc(C)cc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c1 ZINC000046123770 524457693 /nfs/dbraw/zinc/45/76/93/524457693.db2.gz PLMFUVKRPXRCRL-MRXNPFEDSA-N 0 0 474.583 4.115 50 0 JIAARN Cc1cc(C)cc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000064940854 524457914 /nfs/dbraw/zinc/45/79/14/524457914.db2.gz BHECXOWWDWALNP-GOSISDBHSA-N 0 0 460.556 4.072 50 0 JIAARN Cc1ccc(CN2CCN(C3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)C2=O)cc1 ZINC000064950763 524458834 /nfs/dbraw/zinc/45/88/34/524458834.db2.gz DAAMRTBLHONMMF-UHFFFAOYSA-N 0 0 482.433 4.393 50 0 JIAARN COc1ccc(NC(=O)CCC(=O)N2CCN(c3nsc4ccccc43)CC2)cc1Cl ZINC000036357586 524476086 /nfs/dbraw/zinc/47/60/86/524476086.db2.gz OHYGKGNYHLSJQG-UHFFFAOYSA-N 0 0 458.971 4.026 50 0 JIAARN Cc1cc(C)n(-c2cccc(C(=O)NC[C@@H]3Cc4cc(-c5nc(C)cnc5C)ccc4O3)c2)n1 ZINC000014993449 524490436 /nfs/dbraw/zinc/49/04/36/524490436.db2.gz DTDKLQRZJYXNMD-DEOSSOPVSA-N 0 0 453.546 4.296 50 0 JIAARN Cc1cccc(Cn2c(=O)c(C(=O)N[C@H](C)c3ccccc3)nn(-c3ccc(C(C)C)cc3)c2=O)c1 ZINC000036087942 524491291 /nfs/dbraw/zinc/49/12/91/524491291.db2.gz IKQZOSFZWSXDPA-OAQYLSRUSA-N 0 0 482.584 4.365 50 0 JIAARN COc1ccc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1Cl ZINC000021763134 524500682 /nfs/dbraw/zinc/50/06/82/524500682.db2.gz KQZKDUZGEAJGEW-UHFFFAOYSA-N 0 0 471.863 4.161 50 0 JIAARN COc1ccc(NC(=O)COc2ccc(C)cc2)cc1CN1CCn2c(nc3ccccc32)C1 ZINC000021800269 524502737 /nfs/dbraw/zinc/50/27/37/524502737.db2.gz KRRSLNJUSWNETJ-UHFFFAOYSA-N 0 0 456.546 4.387 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)cc1OC ZINC000016846638 524509902 /nfs/dbraw/zinc/50/99/02/524509902.db2.gz NTMZEULXOWALFC-UHFFFAOYSA-N 0 0 467.572 4.410 50 0 JIAARN Cc1ccc(CNC(=O)CSc2nccnc2N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000021657103 524510441 /nfs/dbraw/zinc/51/04/41/524510441.db2.gz ANBRLSYSHADEHU-UHFFFAOYSA-N 0 0 461.635 4.137 50 0 JIAARN Cc1ccc(CNC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1 ZINC000033113048 524519987 /nfs/dbraw/zinc/51/99/87/524519987.db2.gz MVGFEBZTCPKEKH-KRWDZBQOSA-N 0 0 453.543 4.327 50 0 JIAARN 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JDKCDVKHHPQTLT-UHFFFAOYSA-N 0 0 490.604 4.487 50 0 JIAARN Cc1ccc(Cn2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)NCc3ccccc3F)C2)cc1 ZINC000033302692 524764769 /nfs/dbraw/zinc/76/47/69/524764769.db2.gz RMTWYNYRBWNJKY-OAQYLSRUSA-N 0 0 490.604 4.487 50 0 JIAARN Cc1ccc(Cn2c(SCC(=O)Nc3ccccc3C(F)(F)F)nc3nccnc3c2=O)cc1 ZINC000020486919 524765978 /nfs/dbraw/zinc/76/59/78/524765978.db2.gz XIHOPDAEXNRKGD-UHFFFAOYSA-N 0 0 485.491 4.293 50 0 JIAARN Cc1ccc(Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccccc3Cl)c2=O)cc1 ZINC000002687408 524769173 /nfs/dbraw/zinc/76/91/73/524769173.db2.gz UTXNYZHHFULMLS-UHFFFAOYSA-N 0 0 475.976 4.270 50 0 JIAARN Cc1cccc(OCc2nnc(SCc3cc(=O)n4cc(Br)ccc4n3)o2)c1 ZINC000002639842 524769664 /nfs/dbraw/zinc/76/96/64/524769664.db2.gz YRYXHWUKSFQKBT-UHFFFAOYSA-N 0 0 459.325 4.020 50 0 JIAARN Cc1cccc(Oc2cc(N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)ncn2)c1C ZINC000033312024 524786565 /nfs/dbraw/zinc/78/65/65/524786565.db2.gz QCDXAMRFIFDENZ-UHFFFAOYSA-N 0 0 460.534 4.147 50 0 JIAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)CSc2ncccn2)C3)c1 ZINC000012456922 524792185 /nfs/dbraw/zinc/79/21/85/524792185.db2.gz LTKYIHRTKQBUOH-KRWDZBQOSA-N 0 0 471.966 4.026 50 0 JIAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3ccccc3F)c3ccccc32)C[C@H](C)O1 ZINC000017246859 524800637 /nfs/dbraw/zinc/80/06/37/524800637.db2.gz ANDHNSDJKALRGN-CALCHBBNSA-N 0 0 455.555 4.147 50 0 JIAARN COc1ccc(OC)c(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Br)cc2)c1 ZINC000046056987 524808735 /nfs/dbraw/zinc/80/87/35/524808735.db2.gz OXJQUIRWWUKBOG-KRWDZBQOSA-N 0 0 470.323 4.269 50 0 JIAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3nccn4nc(-c5ccc(F)cc5)cc34)CC2)c1 ZINC000033266628 524830278 /nfs/dbraw/zinc/83/02/78/524830278.db2.gz BSHCVADXFYMJPY-UHFFFAOYSA-N 0 0 489.551 4.085 50 0 JIAARN COc1ccc(OC)c(CNC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000033048933 524832128 /nfs/dbraw/zinc/83/21/28/524832128.db2.gz FEMQJFWZUFMCIE-UHFFFAOYSA-N 0 0 463.921 4.051 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2nccnc2N2CCN(c3cc(C)ccc3C)CC2)c1 ZINC000033292841 524852495 /nfs/dbraw/zinc/85/24/95/524852495.db2.gz OTOBPLMBHFUKER-UHFFFAOYSA-N 0 0 493.633 4.168 50 0 JIAARN COc1ccc(OC)c(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)c1 ZINC000064930854 524857024 /nfs/dbraw/zinc/85/70/24/524857024.db2.gz SKNTWRXSKBKFSH-QGZVFWFLSA-N 0 0 489.504 4.455 50 0 JIAARN COc1ccc(OC)c(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(C)cc3)s2)c1 ZINC000064930583 524857210 /nfs/dbraw/zinc/85/72/10/524857210.db2.gz UXDCDYXIKCHUCW-GOSISDBHSA-N 0 0 467.551 4.485 50 0 JIAARN COc1ccc(OC)c(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]23)c1 ZINC000008661480 524863301 /nfs/dbraw/zinc/86/33/01/524863301.db2.gz DKNQOCNVGGDLIF-FTJBHMTQSA-N 0 0 488.540 4.197 50 0 JIAARN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCC([NH+]3CCCCC3)CC2)c(C(=O)[O-])c1 ZINC000033253609 524872022 /nfs/dbraw/zinc/87/20/22/524872022.db2.gz QVXYEJPGHUVHQH-UHFFFAOYSA-N 0 0 475.586 4.088 50 0 JIAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000012507905 524884630 /nfs/dbraw/zinc/88/46/30/524884630.db2.gz BUGDPVGDIOOHPC-OAHLLOKOSA-N 0 0 458.511 4.135 50 0 JIAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3cc4ccccc4o3)cc2)C1 ZINC000089920266 524886321 /nfs/dbraw/zinc/88/63/21/524886321.db2.gz AGJPICVRJZUGCY-IRXDYDNUSA-N 0 0 455.532 4.139 50 0 JIAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)cc2)C1 ZINC000017244852 524886537 /nfs/dbraw/zinc/88/65/37/524886537.db2.gz NUSZKZZCOSBINN-GJZGRUSLSA-N 0 0 475.636 4.217 50 0 JIAARN Cc1cc(Cl)ccc1NC(=O)CCC(=O)N1CCCN(c2nc3cccnc3s2)CC1 ZINC000065030706 524892293 /nfs/dbraw/zinc/89/22/93/524892293.db2.gz PELBLAGJJMUJKV-UHFFFAOYSA-N 0 0 457.987 4.111 50 0 JIAARN COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(F)cc4)CC(=O)N23)c1 ZINC000002157065 524900249 /nfs/dbraw/zinc/90/02/49/524900249.db2.gz LROAAUPURJQDKB-RBJSKKJNSA-N 0 0 499.542 4.209 50 0 biogenic JIAARN Cc1ccc(N2C(=O)[C@H]3[C@@H]4c5ccccc5C=NN4[C@@H](C(=O)Nc4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000009122237 524928498 /nfs/dbraw/zinc/92/84/98/524928498.db2.gz GRWNEPCWOQKFMU-WSOYEBOPSA-N 0 0 498.970 4.474 50 0 JIAARN Cc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccc(Cl)cc2)c4=O)cc1C ZINC000009191716 524985405 /nfs/dbraw/zinc/98/54/05/524985405.db2.gz DRDLCZOSMDXBNB-HNNXBMFYSA-N 0 0 463.969 4.003 50 0 JIAARN COc1ccc(O[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000002485377 524988789 /nfs/dbraw/zinc/98/87/89/524988789.db2.gz LDWPLYUHCYRMSJ-IZZNHLLZSA-N 0 0 477.513 4.015 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C)cc2)c2ccc(Cl)cc2)cc1OC ZINC000016448333 525010198 /nfs/dbraw/zinc/01/01/98/525010198.db2.gz ZZFSRSSNMVFQFK-UHFFFAOYSA-N 0 0 488.993 4.177 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)c2ccc(Cl)cc2)cc1OC ZINC000016227537 525011799 /nfs/dbraw/zinc/01/17/99/525011799.db2.gz VQBVAFCQKUIVLT-UHFFFAOYSA-N 0 0 496.919 4.469 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4cccc(OC)c4)ccc32)cc1 ZINC000016954459 525033009 /nfs/dbraw/zinc/03/30/09/525033009.db2.gz JEHLDUMKFCSGBV-UHFFFAOYSA-N 0 0 452.532 4.098 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc12 ZINC000012438366 525038435 /nfs/dbraw/zinc/03/84/35/525038435.db2.gz LCVBOWXXFAUJTB-UHFFFAOYSA-N 0 0 450.482 4.378 50 0 JIAARN Cc1ccc(NC(=O)CCc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)no2)cc1C ZINC000033276887 525039944 /nfs/dbraw/zinc/03/99/44/525039944.db2.gz MPDUMGFZSKUSRW-UHFFFAOYSA-N 0 0 468.579 4.099 50 0 JIAARN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3SC)Oc3ccccc32)cc1 ZINC000064986320 525050123 /nfs/dbraw/zinc/05/01/23/525050123.db2.gz ZYXKRAGAVCHASV-OAQYLSRUSA-N 0 0 470.572 4.012 50 0 JIAARN Cc1cc(N2CCC(C(=O)NCc3ccccn3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000033274938 525053970 /nfs/dbraw/zinc/05/39/70/525053970.db2.gz XDODIQSEUCYBKZ-UHFFFAOYSA-N 0 0 460.969 4.286 50 0 JIAARN Cc1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000024117740 525072190 /nfs/dbraw/zinc/07/21/90/525072190.db2.gz CIDFYFUTBDZSCX-UHFFFAOYSA-N 0 0 496.654 4.477 50 0 JIAARN Cc1ccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4ccc(F)cc4)nn32)c(Br)c1 ZINC000045925550 525075870 /nfs/dbraw/zinc/07/58/70/525075870.db2.gz PZVJOQNQQDXYPN-UHFFFAOYSA-N 0 0 488.342 4.025 50 0 JIAARN Cc1ccc(NC(=O)CSc2ccc(N3CCC(C(=O)N4CCCC4)CC3)nn2)cc1Cl ZINC000046146499 525076786 /nfs/dbraw/zinc/07/67/86/525076786.db2.gz RSFYKFPDQUHASI-UHFFFAOYSA-N 0 0 474.030 4.008 50 0 JIAARN Cc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)c(Br)c1 ZINC000016788586 525084653 /nfs/dbraw/zinc/08/46/53/525084653.db2.gz MMCBRYDUHQKOKV-UHFFFAOYSA-N 0 0 485.367 4.178 50 0 JIAARN Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2C)cc1Cl ZINC000002867122 525098589 /nfs/dbraw/zinc/09/85/89/525098589.db2.gz PPAYUXPEVUTTDD-UHFFFAOYSA-N 0 0 482.368 4.481 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3c4cccnc4sc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1F ZINC000064942422 525099580 /nfs/dbraw/zinc/09/95/80/525099580.db2.gz FIPTZKZDEIRAEZ-UHFFFAOYSA-N 0 0 492.507 4.047 50 0 JIAARN Cc1ccccc1CN1c2cc(C(=O)OC[C@@H]3CCCO3)ccc2S(=O)(=O)c2ccccc2C1=O ZINC000008599451 525145871 /nfs/dbraw/zinc/14/58/71/525145871.db2.gz KAUUPCFXSVUITB-NRFANRHFSA-N 0 0 491.565 4.324 50 0 JIAARN CS(=O)(=O)N(CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccc(Cl)c1 ZINC000009467080 525151739 /nfs/dbraw/zinc/15/17/39/525151739.db2.gz CNZBVPFZOTZKSI-UHFFFAOYSA-N 0 0 460.968 4.121 50 0 JIAARN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCSCc1ccccc1 ZINC000013615201 525158562 /nfs/dbraw/zinc/15/85/62/525158562.db2.gz TYUQHULPWMECQF-UHFFFAOYSA-N 0 0 454.617 4.316 50 0 JIAARN Cc1cc(NC(=O)Cn2c(=O)nc(N3CCC(C)CC3)c3ccccc32)ccc1Br ZINC000049004264 525165772 /nfs/dbraw/zinc/16/57/72/525165772.db2.gz FXOMORDCPNHEFY-UHFFFAOYSA-N 0 0 469.383 4.342 50 0 JIAARN COc1ccc([C@@H](C)Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)cc1OC ZINC000067261352 525166826 /nfs/dbraw/zinc/16/68/26/525166826.db2.gz YZMDCKCASQABEQ-MRXNPFEDSA-N 0 0 489.557 4.301 50 0 JIAARN Cc1ccccc1COC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000040051777 525170961 /nfs/dbraw/zinc/17/09/61/525170961.db2.gz MTOGVCVCPFXNGE-UHFFFAOYSA-N 0 0 457.470 4.038 50 0 JIAARN Cc1ccccc1C[C@H](C1CCN(C(=O)c2ccc(F)cc2F)CC1)N(C)C(=O)Cn1cccn1 ZINC000014878981 525198630 /nfs/dbraw/zinc/19/86/30/525198630.db2.gz QREMQPHXLXBPCV-RUZDIDTESA-N 0 0 480.559 4.092 50 0 JIAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000021862067 525200834 /nfs/dbraw/zinc/20/08/34/525200834.db2.gz RRQGGXKGHVATFW-HHHXNRCGSA-N 0 0 474.561 4.019 50 0 JIAARN COc1ccc([C@@H](NS(=O)(=O)c2ccccc2)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000012371245 525201772 /nfs/dbraw/zinc/20/17/72/525201772.db2.gz PTMSDQBSAJFCPX-RUZDIDTESA-N 0 0 494.569 4.337 50 0 JIAARN C[C@]1(C(=O)NCc2ccccc2)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccc(F)cc1 ZINC000021853744 525212461 /nfs/dbraw/zinc/21/24/61/525212461.db2.gz DOJLZOQDPBITDF-HHHXNRCGSA-N 0 0 454.505 4.425 50 0 JIAARN Cc1cc(NC(=O)[C@@H](OC(=O)[C@H](C)Oc2ccc(Br)cc2)c2ccccc2)no1 ZINC000016815594 525212835 /nfs/dbraw/zinc/21/28/35/525212835.db2.gz MKRVLKRUHFYSGG-LIRRHRJNSA-N 0 0 459.296 4.436 50 0 JIAARN Cc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002885160 525217007 /nfs/dbraw/zinc/21/70/07/525217007.db2.gz MBUGDIJPTZLADE-UHFFFAOYSA-N 0 0 472.950 4.254 50 0 JIAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc1 ZINC000033255595 525221273 /nfs/dbraw/zinc/22/12/73/525221273.db2.gz YBNPOXGVTVWHAX-NRFANRHFSA-N 0 0 478.618 4.183 50 0 JIAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)c1ccc2c(c1)OCCO2 ZINC000018109321 525231658 /nfs/dbraw/zinc/23/16/58/525231658.db2.gz YLUXVCWFOYKQCP-INIZCTEOSA-N 0 0 486.977 4.427 50 0 JIAARN C[C@H](NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 ZINC000014792631 525238315 /nfs/dbraw/zinc/23/83/15/525238315.db2.gz QNPNFFVLRPRHEU-REWPJTCUSA-N 0 0 455.558 4.207 50 0 JIAARN Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)n(-c2nc3ccccc3s2)n1 ZINC000021684487 525248457 /nfs/dbraw/zinc/24/84/57/525248457.db2.gz XYKTYKAPEAPJLV-INIZCTEOSA-N 0 0 495.630 4.463 50 0 JIAARN Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CC3)cc2)n(-c2nc3c(cc(C)cc3C)s2)n1 ZINC000021686926 525248558 /nfs/dbraw/zinc/24/85/58/525248558.db2.gz MESWNKWYSJOLFB-UHFFFAOYSA-N 0 0 495.630 4.442 50 0 JIAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000016045878 525249362 /nfs/dbraw/zinc/24/93/62/525249362.db2.gz SENORUJFEOIKKL-UHFFFAOYSA-N 0 0 471.962 4.129 50 0 JIAARN Cc1ccc(NC(=O)c2nnc(C3CCN(C(=O)NCc4ccc(F)cc4)CC3)s2)cc1 ZINC000033114058 525261900 /nfs/dbraw/zinc/26/19/00/525261900.db2.gz IQUPPPVSPAXKHM-UHFFFAOYSA-N 0 0 453.543 4.327 50 0 JIAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)COc4ccc(F)cc4)C3)s2)cc1 ZINC000046123128 525263432 /nfs/dbraw/zinc/26/34/32/525263432.db2.gz BXTAIMKMWFQFNK-INIZCTEOSA-N 0 0 454.527 4.023 50 0 JIAARN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(Nc3nc4ccccc4s3)c2)cc1 ZINC000040156330 525263707 /nfs/dbraw/zinc/26/37/07/525263707.db2.gz DKPJXSKDRZJYHZ-UHFFFAOYSA-N 0 0 459.574 4.244 50 0 JIAARN C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1cc2c(cc1Br)OCCO2 ZINC000040156025 525268473 /nfs/dbraw/zinc/26/84/73/525268473.db2.gz VALPILXZBMOAKK-ZIAGYGMSSA-N 0 0 479.396 4.011 50 0 JIAARN COc1ccc([C@@H]2[C@H](C(=O)NCc3ccccc3OC)CCC(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000004759707 525274407 /nfs/dbraw/zinc/27/44/07/525274407.db2.gz ZVOPTCCLQNVHKC-AJTFRIOCSA-N 0 0 488.540 4.233 50 0 JIAARN Cc1ccccc1OCC(=O)Nc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1 ZINC000041089495 525279689 /nfs/dbraw/zinc/27/96/89/525279689.db2.gz RCEOEBBHFNDFDB-UHFFFAOYSA-N 0 0 455.923 4.314 50 0 JIAARN Cc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)C(=O)NC(C)C ZINC000036124043 525314497 /nfs/dbraw/zinc/31/44/97/525314497.db2.gz FDJDNZNBBOMNQN-NRFANRHFSA-N 0 0 455.624 4.391 50 0 JIAARN Cc1cc(O)c([C@@H](c2ccncc2)N2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccccc1 ZINC000016993673 525324758 /nfs/dbraw/zinc/32/47/58/525324758.db2.gz NXLGLOFLNWIJEO-MUUNZHRXSA-N 0 0 484.575 4.356 50 0 JIAARN Cc1ccccc1SC1CCN(C(=O)Cn2cc(NC(=O)CCOc3ccccc3)cn2)CC1 ZINC000012511970 525335965 /nfs/dbraw/zinc/33/59/65/525335965.db2.gz VRGDLSJWZVIEGU-UHFFFAOYSA-N 0 0 478.618 4.382 50 0 JIAARN Cc1ccccc1[C@@]1(CC(=O)N(C)[C@@H](C)c2ccc3c(c2)OCCO3)CC(=O)N(C2CCCC2)C1=O ZINC000014996011 525395990 /nfs/dbraw/zinc/39/59/90/525395990.db2.gz APQWHEJXGDMIHI-AFJIDDCJSA-N 0 0 490.600 4.315 50 0 JIAARN Cc1ccc(OCC(=O)Nc2ccccc2SCc2cc(=O)n3c(ncn3CC(C)C)n2)cc1C ZINC000021797535 525398699 /nfs/dbraw/zinc/39/86/99/525398699.db2.gz LOJKQWLJZRHLLE-UHFFFAOYSA-N 0 0 491.617 4.474 50 0 JIAARN Cc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000033320884 525431935 /nfs/dbraw/zinc/43/19/35/525431935.db2.gz LMXLSMFITFSFMJ-PKTZIBPZSA-N 0 0 455.558 4.301 50 0 JIAARN Cc1cc(SCC(=O)Nc2c(F)cccc2F)nc2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000033087567 525432848 /nfs/dbraw/zinc/43/28/48/525432848.db2.gz VRFPOJPGPYSSQB-UHFFFAOYSA-N 0 0 477.558 4.337 50 0 JIAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3nc(C)c(C)s3)c3ccccc3C(=O)N2C)cc1OC ZINC000040288391 525434155 /nfs/dbraw/zinc/43/41/55/525434155.db2.gz RUJJITPMRWLFEM-SFTDATJTSA-N 0 0 451.548 4.326 50 0 JIAARN Cc1cc(SCC(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c(C)cc1Br ZINC000033698162 525435680 /nfs/dbraw/zinc/43/56/80/525435680.db2.gz UDBZOSGSMKRIRC-UHFFFAOYSA-N 0 0 466.353 4.111 50 0 JIAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)NC(C)C)cc1 ZINC000036122876 525443641 /nfs/dbraw/zinc/44/36/41/525443641.db2.gz RSKOUKFTUHNFPN-GGAORHGYSA-N 0 0 485.650 4.160 50 0 JIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(SCc3cc(=O)n4c(ncn4C(C)C)n3)cc2)cc1 ZINC000021797734 525459263 /nfs/dbraw/zinc/45/92/63/525459263.db2.gz MTTGRMJJUYEQNL-SFHVURJKSA-N 0 0 477.590 4.479 50 0 JIAARN Cc1ccc(Oc2nccnc2N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000033141934 525480420 /nfs/dbraw/zinc/48/04/20/525480420.db2.gz OJRIOAKZDLSFAU-UHFFFAOYSA-N 0 0 475.568 4.282 50 0 JIAARN Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccc(Cl)cc4C(F)(F)F)nc23)cc1 ZINC000033308947 525481177 /nfs/dbraw/zinc/48/11/77/525481177.db2.gz VIVOOUXCLCKVGN-UHFFFAOYSA-N 0 0 477.830 4.303 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1C ZINC000046123677 525536140 /nfs/dbraw/zinc/53/61/40/525536140.db2.gz NPTFITIYBJLVQD-INIZCTEOSA-N 0 0 474.583 4.115 50 0 JIAARN C[C@@H]1Cn2c3c(nc2N(c2cccc(Cl)c2)C1)n(C)c(=O)n(C/C=C/c1ccccc1)c3=O ZINC000009519239 525542035 /nfs/dbraw/zinc/54/20/35/525542035.db2.gz NRPJSAXMJQNAOH-JEJOPICUSA-N 0 0 461.953 4.051 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)Cc4ccc(Cl)cc4)sc3C2)cc1 ZINC000021654630 525554784 /nfs/dbraw/zinc/55/47/84/525554784.db2.gz KIEQGIHTYLJLOC-UHFFFAOYSA-N 0 0 461.996 4.033 50 0 JIAARN CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1 ZINC000002093749 525590200 /nfs/dbraw/zinc/59/02/00/525590200.db2.gz BAMVGNCNVWRTFG-FQEVSTJZSA-N 0 0 455.532 4.363 50 0 biogenic JIAARN Cc1cc2c(cc1-c1nnc(SCC(=O)NCc3ccccc3Cl)n1C)OCCCO2 ZINC000064987133 525591806 /nfs/dbraw/zinc/59/18/06/525591806.db2.gz YBVNYDCXAGKPEW-UHFFFAOYSA-N 0 0 458.971 4.014 50 0 JIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccc(F)cc1)C(=O)N2Cc1cccc(OC)c1 ZINC000036166389 525595343 /nfs/dbraw/zinc/59/53/43/525595343.db2.gz WGALPRRUNBBBJF-SANMLTNESA-N 0 0 478.545 4.432 50 0 JIAARN COc1ccc2c(c1)[nH]c(C(=O)NCCCN1CCOCC1)c2Sc1ccc(Cl)cc1 ZINC000020466830 525597726 /nfs/dbraw/zinc/59/77/26/525597726.db2.gz QLNXPBJODJECRD-UHFFFAOYSA-N 0 0 459.999 4.433 50 0 JIAARN Cc1ccn(CCC(=O)N2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)n1 ZINC000014989750 525600616 /nfs/dbraw/zinc/60/06/16/525600616.db2.gz DQJGGGGVVPLLMF-HSZRJFAPSA-N 0 0 464.635 4.265 50 0 JIAARN COc1ccc2c(c1)c(NC(C)=O)c1n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2ccco2)C1=O ZINC000021865976 525602980 /nfs/dbraw/zinc/60/29/80/525602980.db2.gz YOXJTNSMTLGVGY-HHHXNRCGSA-N 0 0 492.576 4.065 50 0 JIAARN COc1ccc2cc(C(=O)N3CCC[C@@H](c4nnc(C(=O)Nc5ccc(F)cc5)s4)C3)[nH]c2c1 ZINC000046122657 525620913 /nfs/dbraw/zinc/62/09/13/525620913.db2.gz DDSQEDMAARCFQJ-OAHLLOKOSA-N 0 0 479.537 4.439 50 0 JIAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000033088236 525657013 /nfs/dbraw/zinc/65/70/13/525657013.db2.gz YOKZCSBDUQVODQ-OAHLLOKOSA-N 0 0 480.546 4.299 50 0 JIAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(Br)cc4C)nc23)c(C)c1 ZINC000049009066 525674484 /nfs/dbraw/zinc/67/44/84/525674484.db2.gz JDZIXPKIHQRQLX-UHFFFAOYSA-N 0 0 498.406 4.369 50 0 JIAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1 ZINC000033168696 525674589 /nfs/dbraw/zinc/67/45/89/525674589.db2.gz ULPZGWUQPNMDFB-LJQANCHMSA-N 0 0 462.575 4.198 50 0 JIAARN Cc1cc2nn(CC(=O)N[C@H](C)CCc3ccccc3)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000067226468 525687669 /nfs/dbraw/zinc/68/76/69/525687669.db2.gz XZXKMYIJOBXOMI-MRXNPFEDSA-N 0 0 483.494 4.023 50 0 JIAARN COc1cccc(-c2cc3c(N4CCC(C(=O)NCc5ccc(F)cc5)CC4)nccn3n2)c1 ZINC000033266705 525708830 /nfs/dbraw/zinc/70/88/30/525708830.db2.gz KNNDYXLXVDJETQ-UHFFFAOYSA-N 0 0 459.525 4.077 50 0 JIAARN Cc1ccc(-c2c3c(c4n2-c2ccccc2N[C@H]4c2cccc(O)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000021658995 525709714 /nfs/dbraw/zinc/70/97/14/525709714.db2.gz IHFCSUZZTPDYDY-QHCPKHFHSA-N 0 0 464.525 4.224 50 0 JIAARN COc1cccc(-c2cc3c(N4CCC[C@@H](C(=O)NCc5ccc(C)cc5)C4)nccn3n2)c1 ZINC000033266437 525709814 /nfs/dbraw/zinc/70/98/14/525709814.db2.gz DNUSPHUWFWYKGX-JOCHJYFZSA-N 0 0 455.562 4.246 50 0 JIAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)cc1C ZINC000033280357 525715575 /nfs/dbraw/zinc/71/55/75/525715575.db2.gz UVDIPHRXDKMEGP-JOCHJYFZSA-N 0 0 499.659 4.322 50 0 JIAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3Cl)[C@H]3CCS(=O)(=O)C3)no2)cc1C ZINC000021786379 525719592 /nfs/dbraw/zinc/71/95/92/525719592.db2.gz QMDUIEDUMMOVLH-IBGZPJMESA-N 0 0 458.967 4.441 50 0 JIAARN COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)no2)c1 ZINC000065112163 525722572 /nfs/dbraw/zinc/72/25/72/525722572.db2.gz VWJMETYLMFUDGB-UHFFFAOYSA-N 0 0 484.397 4.138 50 0 JIAARN COc1cccc(-n2c(=O)c3ccc(C(=O)NCc4ccc(F)cc4F)cc3nc2N2CCCC2)c1 ZINC000033251233 525744094 /nfs/dbraw/zinc/74/40/94/525744094.db2.gz MHSZJHYSPQHPBX-UHFFFAOYSA-N 0 0 490.510 4.203 50 0 JIAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccco4)C(=O)CC(C)C)CC3)nn2)cc1 ZINC000036070032 525751837 /nfs/dbraw/zinc/75/18/37/525751837.db2.gz QTESNRCDKIROJO-UHFFFAOYSA-N 0 0 489.620 4.159 50 0 JIAARN Cc1ccc(-c2ccc(N3CCN(c4ccccc4)CC3)nn2)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000065009347 525754513 /nfs/dbraw/zinc/75/45/13/525754513.db2.gz XHCVLNLEQSQKNZ-UHFFFAOYSA-N 0 0 491.661 4.199 50 0 JIAARN Cc1ccc([C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c2cccs2)cc1 ZINC000030345993 525768441 /nfs/dbraw/zinc/76/84/41/525768441.db2.gz ILYKBDFMJRUZSF-BVAGGSTKSA-N 0 0 473.554 4.476 50 0 JIAARN Cc1ccc(-c2csc(NC(=O)c3c(-c4ccc(F)cc4)nc4n3CCS4(=O)=O)n2)cc1 ZINC000021798627 525783404 /nfs/dbraw/zinc/78/34/04/525783404.db2.gz FTWWZXAAYLZDJV-UHFFFAOYSA-N 0 0 468.535 4.161 50 0 JIAARN COc1cccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NC[C@H]3CCCO3)cc2)c1 ZINC000037279408 525791947 /nfs/dbraw/zinc/79/19/47/525791947.db2.gz QLEPHAJCXKDWRQ-AREMUKBSSA-N 0 0 458.558 4.380 50 0 JIAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccccc1F ZINC000021851046 525792033 /nfs/dbraw/zinc/79/20/33/525792033.db2.gz YJPXAPFQHQXSMI-VWLOTQADSA-N 0 0 450.514 4.146 50 0 JIAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccccc3c(-n3cccc3)c2C(=O)N1C[C@@H]1CCCO1 ZINC000033249527 525792552 /nfs/dbraw/zinc/79/25/52/525792552.db2.gz IGUCOXZYDQUOFS-KMRXNPHXSA-N 0 0 474.605 4.274 50 0 JIAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3ccc(C)cn3c(=O)n2)cc1 ZINC000016689490 525795531 /nfs/dbraw/zinc/79/55/31/525795531.db2.gz YLTORHUMGHSDHR-IBGZPJMESA-N 0 0 475.599 4.238 50 0 JIAARN COc1cccc(C(=O)N2C[C@@H](c3cc(OC)ccc3OC)[C@H](C(=O)N(C)Cc3ccccc3)C2)c1 ZINC000036059555 525808414 /nfs/dbraw/zinc/80/84/14/525808414.db2.gz GUWSWEZJYKFCCM-IZZNHLLZSA-N 0 0 488.584 4.227 50 0 JIAARN Cc1ccsc1C(=O)N(CCCN1CCCC1=O)Cc1cc2ccc(F)cc2nc1N(C)C ZINC000019839372 525816116 /nfs/dbraw/zinc/81/61/16/525816116.db2.gz YRCYQEPJDWSRFC-UHFFFAOYSA-N 0 0 468.598 4.465 50 0 JIAARN Cc1ccc(-c2nc3cccnc3n2CCN2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000033139740 525828440 /nfs/dbraw/zinc/82/84/40/525828440.db2.gz MGMDTCORBSUWPT-UHFFFAOYSA-N 0 0 458.541 4.396 50 0 JIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCNS(=O)(=O)Cc2ccccc2)c(C)c1 ZINC000069517827 525838568 /nfs/dbraw/zinc/83/85/68/525838568.db2.gz VNQKNJHUGHWTQK-UHFFFAOYSA-N 0 0 488.613 4.006 50 0 JIAARN Cc1ccc(-c2nn3c(nnc3C(C)C)c3ccccc32)cc1S(=O)(=O)NCc1cccnc1 ZINC000009487463 525842785 /nfs/dbraw/zinc/84/27/85/525842785.db2.gz XVNJSKXTIXZTNZ-UHFFFAOYSA-N 0 0 472.574 4.250 50 0 JIAARN Cc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4cccc(Br)c4)c3)n2)cc1 ZINC000033293116 525870133 /nfs/dbraw/zinc/87/01/33/525870133.db2.gz NDYKLMZZYJXGHK-UHFFFAOYSA-N 0 0 465.307 4.275 50 0 JIAARN Cc1ccc(-c2noc(-c3nn(CC(=O)NCc4ccc5c(c4)OCO5)c4ccccc43)n2)cc1 ZINC000065111276 525873186 /nfs/dbraw/zinc/87/31/86/525873186.db2.gz ZGNDQVKFNSIJAE-UHFFFAOYSA-N 0 0 467.485 4.107 50 0 JIAARN C[C@@H](OC(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000016574238 525883216 /nfs/dbraw/zinc/88/32/16/525883216.db2.gz CUHJXDXHWYSMRJ-GOZNNPOBSA-N 0 0 468.937 4.079 50 0 JIAARN Cc1c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000065008669 525885142 /nfs/dbraw/zinc/88/51/42/525885142.db2.gz DSSHOZDPCQVGCN-UHFFFAOYSA-N 0 0 467.572 4.331 50 0 JIAARN Cc1c(S(=O)(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cnn1-c1ccccc1 ZINC000019924939 525886100 /nfs/dbraw/zinc/88/61/00/525886100.db2.gz ASGRHDCEUSNETI-UHFFFAOYSA-N 0 0 470.598 4.257 50 0 JIAARN Cc1ccc(-c2noc3c2ncn(CCC(=O)Nc2cccc(Br)c2)c3=O)cc1 ZINC000033128583 525886834 /nfs/dbraw/zinc/88/68/34/525886834.db2.gz HXWGEAWFUSCQRC-UHFFFAOYSA-N 0 0 453.296 4.151 50 0 JIAARN Cc1ccc(-c2nsc3c2nc(SCC(=O)N2CCOc4ccc(C)cc42)n(C)c3=O)cc1 ZINC000033300275 525888575 /nfs/dbraw/zinc/88/85/75/525888575.db2.gz DSZPKUFNSJPQDT-UHFFFAOYSA-N 0 0 478.599 4.192 50 0 JIAARN Cc1ccc(-n2c(SCC(=O)NCc3ccc4c(c3)OCO4)nnc2-c2ccccc2)cc1 ZINC000033628277 525899369 /nfs/dbraw/zinc/89/93/69/525899369.db2.gz WFJCSZRDNBTZFG-UHFFFAOYSA-N 0 0 458.543 4.380 50 0 JIAARN Cc1ccc([C@H](C)NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)cc1 ZINC000064999699 525910414 /nfs/dbraw/zinc/91/04/14/525910414.db2.gz DVBUWDJYSBDMKE-SFHVURJKSA-N 0 0 470.616 4.235 50 0 JIAARN Cc1ccc(-n2ccn3c(SCC(=O)Nc4ccccc4C(F)(F)F)nnc3c2=O)cc1C ZINC000046047426 525915707 /nfs/dbraw/zinc/91/57/07/525915707.db2.gz WLAZZDQWTFNKDV-UHFFFAOYSA-N 0 0 473.480 4.247 50 0 JIAARN Cc1ccc(-n2ncc3c2nc(SCC(=O)N2CCC(Cc4ccccc4)CC2)[nH]c3=O)cc1C ZINC000002718055 525934161 /nfs/dbraw/zinc/93/41/61/525934161.db2.gz BROOSWBFJUMLCD-UHFFFAOYSA-N 0 0 487.629 4.299 50 0 JIAARN COc1cccc(CN2c3ccccc3[C@]3(SCCN3C(=O)c3cccc(OC)c3)C2=O)c1 ZINC000036164674 525961934 /nfs/dbraw/zinc/96/19/34/525961934.db2.gz PNSZLTVLPMDPCF-SANMLTNESA-N 0 0 460.555 4.293 50 0 JIAARN Cc1c2ccc(Br)cc2oc1C(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000016806609 525963684 /nfs/dbraw/zinc/96/36/84/525963684.db2.gz XYBQQBPRFAKYBI-MRXNPFEDSA-N 0 0 480.355 4.472 50 0 JIAARN Cc1c2cnn(CC(=O)N3CCC(Cc4ccccc4)CC3)c(=O)c2c(C)n1Cc1ccccc1 ZINC000020417064 525993146 /nfs/dbraw/zinc/99/31/46/525993146.db2.gz RBLRGFKAMYFZDP-UHFFFAOYSA-N 0 0 468.601 4.344 50 0 JIAARN COc1cccc(CNC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2ccc(F)cc2)c3=O)c1 ZINC000048990407 526007570 /nfs/dbraw/zinc/00/75/70/526007570.db2.gz DIJBUTIGTVNYEW-UHFFFAOYSA-N 0 0 472.520 4.064 50 0 JIAARN COc1cccc(CNS(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)no3)sc2C)c1 ZINC000046141395 526029987 /nfs/dbraw/zinc/02/99/87/526029987.db2.gz XAPYGROKMKFAPZ-UHFFFAOYSA-N 0 0 459.524 4.400 50 0 JIAARN Cc1ccc([C@H]2Cc3c(C(=O)N(C)C[C@H]4COCCO4)c(=O)cc(C)n3-c3ccccc3S2)s1 ZINC000014994776 526043369 /nfs/dbraw/zinc/04/33/69/526043369.db2.gz KBKOUQAOJSZGGJ-MHECFPHRSA-N 0 0 496.654 4.393 50 0 JIAARN Cc1cc(-c2csc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)n2)c(C)s1 ZINC000020015404 526048116 /nfs/dbraw/zinc/04/81/16/526048116.db2.gz QVGIPUGIHQSCAF-CQSZACIVSA-N 0 0 455.561 4.251 50 0 JIAARN COc1cccc(CO[C@@H]2CN(Cc3cc4ccccc4o3)CC(=O)N(Cc3ccccn3)C2)c1 ZINC000014541967 526056226 /nfs/dbraw/zinc/05/62/26/526056226.db2.gz KTYKTJNZSMMIRV-AREMUKBSSA-N 0 0 471.557 4.266 50 0 JIAARN Cc1ccc(C(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CCOCC2)C[C@H]2CCCO2)cc1 ZINC000036249290 526075088 /nfs/dbraw/zinc/07/50/88/526075088.db2.gz OXANWKDBDUAWCT-HSZRJFAPSA-N 0 0 479.552 4.447 50 0 JIAARN COc1cccc(C[C@H](C2CCN(C(=O)C3C(C)(C)C3(C)C)CC2)N(C)C(=O)c2ccn(C)n2)c1 ZINC000014880175 526077213 /nfs/dbraw/zinc/07/72/13/526077213.db2.gz VLAJOXSXRKCVFA-HSZRJFAPSA-N 0 0 480.653 4.033 50 0 JIAARN Cc1ccc(C(=O)N2CCC([C@H](NC(=O)c3ccccc3Cl)C(=O)NCC(C)C)CC2)cc1 ZINC000036209865 526087096 /nfs/dbraw/zinc/08/70/96/526087096.db2.gz LDZHXGJNDWAZRY-QHCPKHFHSA-N 0 0 470.013 4.071 50 0 JIAARN Cc1ccc(C(=O)N2CCC(Oc3cccc(CN4CCN(C(=O)c5ccco5)CC4)c3)CC2)cc1 ZINC000014985777 526087443 /nfs/dbraw/zinc/08/74/43/526087443.db2.gz CXRXIYCZMCXXQO-UHFFFAOYSA-N 0 0 487.600 4.230 50 0 JIAARN C[C@H](c1ccccc1)N(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)c1ccco1 ZINC000036069196 526092322 /nfs/dbraw/zinc/09/23/22/526092322.db2.gz YRNYFDAKNJAURM-JOCHJYFZSA-N 0 0 495.583 4.289 50 0 JIAARN COc1cccc(Cn2c(SCC(=O)Nc3ccc(N(C)C)cc3)nc3ccsc3c2=O)c1 ZINC000067205313 526108798 /nfs/dbraw/zinc/10/87/98/526108798.db2.gz BJNONQKATUYAMG-UHFFFAOYSA-N 0 0 480.615 4.312 50 0 JIAARN Cc1ccc2[nH]cc(CCNC(=O)CCCc3nnc(C(=O)Nc4cccc(F)c4)s3)c2c1 ZINC000033256952 526113752 /nfs/dbraw/zinc/11/37/52/526113752.db2.gz PTMCKLRREPLMQR-UHFFFAOYSA-N 0 0 465.554 4.401 50 0 JIAARN CSc1cccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CN(Cc2ccc(F)cc2)CC3)c1 ZINC000020467796 526114474 /nfs/dbraw/zinc/11/44/74/526114474.db2.gz OGKKWKKTDVDHRY-UHFFFAOYSA-N 0 0 470.595 4.332 50 0 JIAARN Cc1ccc2c(=O)cc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)oc2c1C ZINC000021782709 526118949 /nfs/dbraw/zinc/11/89/49/526118949.db2.gz FKJLPBMNXPMDBE-OAHLLOKOSA-N 0 0 466.559 4.121 50 0 JIAARN Cc1ccc2c(C)nc(Nc3nc(-c4cnc(N5CCC(C)CC5)nc4C)cc(=O)[nH]3)nc2c1 ZINC000039404000 526121020 /nfs/dbraw/zinc/12/10/20/526121020.db2.gz NOUJKQRIDXKFRJ-UHFFFAOYSA-N 0 0 456.554 4.075 50 0 JIAARN C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000036413010 526126984 /nfs/dbraw/zinc/12/69/84/526126984.db2.gz HBGFBKJLIMZMFE-UONOGXRCSA-N 0 0 463.365 4.016 50 0 JIAARN CSc1ccccc1C(=O)N1CCC([C@@H](Cc2ccccc2)N(C)C(=O)c2ccn(C)n2)CC1 ZINC000014960746 526147511 /nfs/dbraw/zinc/14/75/11/526147511.db2.gz GVHXCNPOVADVMU-XMMPIXPASA-N 0 0 476.646 4.378 50 0 JIAARN COc1cccc(N2CCN(C(=O)c3sc(-c4cc(OC)c(OC)c(OC)c4)nc3C)CC2)c1 ZINC000012324824 526151872 /nfs/dbraw/zinc/15/18/72/526151872.db2.gz KAQKHIJQFMYDDS-UHFFFAOYSA-N 0 0 483.590 4.115 50 0 JIAARN COc1cccc(N2CCN(c3cc(SCC(=O)Nc4ccc(C)cc4C)ncn3)CC2)c1 ZINC000033174780 526157638 /nfs/dbraw/zinc/15/76/38/526157638.db2.gz XHCOKCNNLURCIV-UHFFFAOYSA-N 0 0 463.607 4.159 50 0 JIAARN C[C@H](c1nc(C(C)(C)C)no1)N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000022931170 526170920 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Cc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000000801799 553784126 /nfs/dbraw/zinc/78/41/26/553784126.db2.gz VWNNVASBQAJEIG-UHFFFAOYSA-N 0 0 453.951 4.041 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc1Cl ZINC000000814070 553785362 /nfs/dbraw/zinc/78/53/62/553785362.db2.gz MMGNQKXUTNMFQS-UHFFFAOYSA-N 0 0 491.053 4.231 50 0 JIAARN COC(=O)c1c(N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)sc2c1CCC2 ZINC000000822205 553786709 /nfs/dbraw/zinc/78/67/09/553786709.db2.gz ZXIIQDQEGWWBGP-SFHVURJKSA-N 0 0 461.798 4.491 50 0 JIAARN CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000000823523 553787305 /nfs/dbraw/zinc/78/73/05/553787305.db2.gz UWMCYQYIWOUZEG-IBGZPJMESA-N 0 0 465.344 4.462 50 0 JIAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1 ZINC000000829719 553790092 /nfs/dbraw/zinc/79/00/92/553790092.db2.gz NIUGHOPDNRTWGK-UHFFFAOYSA-N 0 0 463.328 4.422 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)c2cc(Cl)ccc2OC)cc1OC ZINC000000835662 553791748 /nfs/dbraw/zinc/79/17/48/553791748.db2.gz NZQFVOUVKWIWJV-UHFFFAOYSA-N 0 0 497.013 4.010 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccc5c(c4)OCO5)c3n2)cc1 ZINC000000845037 553795421 /nfs/dbraw/zinc/79/54/21/553795421.db2.gz XQFLOSXOVOKVKL-UHFFFAOYSA-N 0 0 456.380 4.405 50 0 JIAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NC2CCCCC2)C(C)C)cc1 ZINC000000846198 553796136 /nfs/dbraw/zinc/79/61/36/553796136.db2.gz XIRNTDJCRGCRBQ-QHCPKHFHSA-N 0 0 451.567 4.151 50 0 JIAARN COc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000000857976 553801006 /nfs/dbraw/zinc/80/10/06/553801006.db2.gz VONSNZLWUCODLM-UHFFFAOYSA-N 0 0 454.548 4.155 50 0 JIAARN CCOC(=O)c1sc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c(C(=O)OCC)c1C ZINC000000869790 553808226 /nfs/dbraw/zinc/80/82/26/553808226.db2.gz FLSGDGACVWPLGE-UHFFFAOYSA-N 0 0 487.500 4.143 50 0 JIAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C(C)=O)cc3)nnc2-c2ccncc2)cc1 ZINC000000872667 553810474 /nfs/dbraw/zinc/81/04/74/553810474.db2.gz AQZOQSPIQILLGP-UHFFFAOYSA-N 0 0 459.531 4.271 50 0 JIAARN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1 ZINC000000885136 553823968 /nfs/dbraw/zinc/82/39/68/553823968.db2.gz XMQXLNMADZWBKU-UHFFFAOYSA-N 0 0 473.392 4.321 50 0 JIAARN COc1ccc(-n2nc3ccc(NC(=O)c4cccc(I)c4)cc3n2)cc1 ZINC000000885960 553824835 /nfs/dbraw/zinc/82/48/35/553824835.db2.gz NYHROHHOMSAHCG-UHFFFAOYSA-N 0 0 470.270 4.286 50 0 JIAARN COc1ccc(CCn2c(=O)c3ccccc3nc2SCC(=O)NC2CCCCC2)cc1OC ZINC000000903455 553836448 /nfs/dbraw/zinc/83/64/48/553836448.db2.gz FJRGHLQTRWMQEN-UHFFFAOYSA-N 0 0 481.618 4.197 50 0 JIAARN COc1ccc(OCc2nnc(SCC(=O)Nc3nc(C)cs3)n2-c2ccccc2)cc1 ZINC000000904934 553837535 /nfs/dbraw/zinc/83/75/35/553837535.db2.gz NWXWWOKGFBAMBK-UHFFFAOYSA-N 0 0 467.576 4.351 50 0 JIAARN O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)sc2nc(-c3ccncc3)nn12 ZINC000000937591 553874731 /nfs/dbraw/zinc/87/47/31/553874731.db2.gz NLVKWSUZVBSFBN-STZFKDTASA-N 0 0 482.956 4.267 50 0 JIAARN CC1=C(C(N)=O)[C@H](c2cccc(OCc3ccccc3)c2)N2NC(c3ccc(Cl)cc3)=NC2=N1 ZINC000000940676 553876351 /nfs/dbraw/zinc/87/63/51/553876351.db2.gz PLTFLUJVUQWLIL-QHCPKHFHSA-N 0 0 471.948 4.356 50 0 JIAARN Cc1ccc(NC(=S)NC(=O)COc2ccc(Br)cc2)c(Br)c1 ZINC000000940930 553876714 /nfs/dbraw/zinc/87/67/14/553876714.db2.gz REOJSKSASLFZTG-UHFFFAOYSA-N 0 0 458.175 4.412 50 0 JIAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)Nc1cccc2ccccc21 ZINC000000952551 553882098 /nfs/dbraw/zinc/88/20/98/553882098.db2.gz SSWHBOGMICTWFG-UHFFFAOYSA-N 0 0 478.504 4.474 50 0 JIAARN COc1ccccc1NC(=O)c1sc2ncn([C@H](C)C(=O)OCc3ccccc3)c(=O)c2c1C ZINC000000955606 553883466 /nfs/dbraw/zinc/88/34/66/553883466.db2.gz IXYRUAJDPWVPAD-MRXNPFEDSA-N 0 0 477.542 4.332 50 0 JIAARN COc1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)c(OC)c1 ZINC000000959936 553886088 /nfs/dbraw/zinc/88/60/88/553886088.db2.gz DNDZPJLBXTXMRL-UHFFFAOYSA-N 0 0 491.931 4.387 50 0 JIAARN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000972083 553887712 /nfs/dbraw/zinc/88/77/12/553887712.db2.gz OIPAMAJUXNHFHI-UHFFFAOYSA-N 0 0 454.548 4.155 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000001057774 553902115 /nfs/dbraw/zinc/90/21/15/553902115.db2.gz YNYGQRCLBWCADE-UHFFFAOYSA-N 0 0 496.585 4.241 50 0 JIAARN COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc(OC)c1OC ZINC000001112658 553909750 /nfs/dbraw/zinc/90/97/50/553909750.db2.gz AUGMSQKLSDMDAZ-UHFFFAOYSA-N 0 0 456.520 4.074 50 0 JIAARN COc1ccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000001160921 553919579 /nfs/dbraw/zinc/91/95/79/553919579.db2.gz IHYBZKXJRVHLFY-UHFFFAOYSA-N 0 0 458.967 4.487 50 0 JIAARN O=C(CS[C@H]1CC(=O)N(c2cccc(Br)c2)C1=O)Nc1ccc(Br)cc1 ZINC000001225449 553936036 /nfs/dbraw/zinc/93/60/36/553936036.db2.gz MEZOTDYHVSSYDO-HNNXBMFYSA-N 0 0 498.196 4.215 50 0 JIAARN CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 ZINC000002092152 554035639 /nfs/dbraw/zinc/03/56/39/554035639.db2.gz KTULRHGHHNYNRG-FQEVSTJZSA-N 0 0 471.575 4.469 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Oc2cc(C)cc3oc(=O)c(C)c(C)c23)cc1 ZINC000002092577 554036125 /nfs/dbraw/zinc/03/61/25/554036125.db2.gz DTBMEQQJDRPIRB-FQEVSTJZSA-N 0 0 471.575 4.325 50 0 biogenic JIAARN CCCc1cc(=O)oc2cc(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)[C@@H](C)CC)ccc12 ZINC000002093839 554037572 /nfs/dbraw/zinc/03/75/72/554037572.db2.gz WPAANRZIOHWEDO-BXKMTCNYSA-N 0 0 471.575 4.353 50 0 JIAARN COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000002095174 554039536 /nfs/dbraw/zinc/03/95/36/554039536.db2.gz DRKWHOMZRHSFNY-WNJJXGMVSA-N 0 0 495.579 4.113 50 0 biogenic JIAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)cc(C)c2cc1Cl ZINC000002095488 554039941 /nfs/dbraw/zinc/03/99/41/554039941.db2.gz PQOKSRYDVIMMFX-JLCFBVMHSA-N 0 0 477.966 4.362 50 0 JIAARN CCCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)cc2OC)C1=O ZINC000002098634 554041685 /nfs/dbraw/zinc/04/16/85/554041685.db2.gz NODIPXZRMXTNTH-HOFKKMOUSA-N 0 0 475.589 4.450 50 0 biogenic JIAARN COc1cc(/C=C2\N=C(c3ccc(I)cc3)OC2=O)ccc1OC(C)C ZINC000002100874 554042639 /nfs/dbraw/zinc/04/26/39/554042639.db2.gz VKMFNYFHTGQUKV-YBEGLDIGSA-N 0 0 463.271 4.432 50 0 JIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)CC(=O)N23)cc1OC ZINC000002103009 554043562 /nfs/dbraw/zinc/04/35/62/554043562.db2.gz FZCAYKAAJHLYPE-WXVAWEFUSA-N 0 0 473.573 4.203 50 0 biogenic JIAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)CC(=O)N32)cc1OC ZINC000002103007 554043600 /nfs/dbraw/zinc/04/36/00/554043600.db2.gz FZCAYKAAJHLYPE-CUNXSJBXSA-N 0 0 473.573 4.203 50 0 biogenic JIAARN CCOc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)ccc1O ZINC000002104616 554045222 /nfs/dbraw/zinc/04/52/22/554045222.db2.gz AEMFCFMXFWCPLU-BXGJXOGNSA-N 0 0 465.546 4.428 50 0 JIAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCc4ccccc4)CC(=O)N23)c1 ZINC000002108789 554048804 /nfs/dbraw/zinc/04/88/04/554048804.db2.gz OWGFMPNXCJNULH-LITSAYRRSA-N 0 0 479.580 4.494 50 0 biogenic JIAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccccc3)CC(=O)N12 ZINC000002109559 554049072 /nfs/dbraw/zinc/04/90/72/554049072.db2.gz HTWUHXVSTOYEBR-RBJSKKJNSA-N 0 0 465.553 4.452 50 0 biogenic JIAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N4CC[C@]5(O)CCCC[C@@H]5C4)ccc32)cc1 ZINC000002111693 554050480 /nfs/dbraw/zinc/05/04/80/554050480.db2.gz ZWZJBKQPQGHQFE-XHCCPWGMSA-N 0 0 463.530 4.001 50 0 biogenic JIAARN CCCCN1CC(=O)N2[C@H](c3cccc(Br)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002123758 554057381 /nfs/dbraw/zinc/05/73/81/554057381.db2.gz JLOHEGFSJCLYPD-NZQKXSOJSA-N 0 0 466.379 4.415 50 0 biogenic JIAARN O=S(=O)(CS(=O)(=O)Oc1ccc(Cl)c(Cl)c1)Oc1ccc(Cl)c(Cl)c1 ZINC000002157291 554073231 /nfs/dbraw/zinc/07/32/31/554073231.db2.gz PGZOAUXWXWQTOB-UHFFFAOYSA-N 0 0 466.147 4.375 50 0 JIAARN CCOC(=O)C1=NN(c2cccc(Cl)c2)C2=NC(C)=C(C(=O)OC)[C@H](c3ccc(C)cc3)N12 ZINC000002181286 554080345 /nfs/dbraw/zinc/08/03/45/554080345.db2.gz PIXDSRIWMXQRNU-FQEVSTJZSA-N 0 0 466.925 4.205 50 0 JIAARN Cn1cc(/C=C(\NC(=O)c2ccco2)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000002215022 554097342 /nfs/dbraw/zinc/09/73/42/554097342.db2.gz SXYSIKJJRKNJOJ-HAHDFKILSA-N 0 0 452.514 4.382 50 0 JIAARN CC1(C)Cc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c(=O)n3CC(=O)Nc2ccccc2)CO1 ZINC000002231044 554105343 /nfs/dbraw/zinc/10/53/43/554105343.db2.gz FTCMXKYRRGNBSL-UHFFFAOYSA-N 0 0 495.988 4.357 50 0 JIAARN COc1cc(OC)cc(-n2c(N)c(C(=O)NCc3cccs3)c3nc4ccccc4nc32)c1 ZINC000002234410 554106982 /nfs/dbraw/zinc/10/69/82/554106982.db2.gz UBCOFSAHWRVVKS-UHFFFAOYSA-N 0 0 459.531 4.165 50 0 JIAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Br)cc1)N(c1nncs1)C3=O ZINC000002242467 554110349 /nfs/dbraw/zinc/11/03/49/554110349.db2.gz QCAZUORMXFPIMV-INIZCTEOSA-N 0 0 454.305 4.465 50 0 JIAARN Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 ZINC000002265491 554124678 /nfs/dbraw/zinc/12/46/78/554124678.db2.gz YAWFPJDWBCMRTK-UHFFFAOYSA-N 0 0 483.586 4.343 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1-c1nc2c(C(C)(C)C)nn(C)c2c(=O)[nH]1 ZINC000002290264 554134651 /nfs/dbraw/zinc/13/46/51/554134651.db2.gz YELCFSVPJBIAQO-UHFFFAOYSA-N 0 0 495.605 4.129 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1Cl ZINC000002323107 554148183 /nfs/dbraw/zinc/14/81/83/554148183.db2.gz NGIQOJDPORMWQJ-UHFFFAOYSA-N 0 0 458.758 4.359 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000002351066 554161688 /nfs/dbraw/zinc/16/16/88/554161688.db2.gz LWSKXYXFEXYDEA-SQWSFHKJSA-N 0 0 473.381 4.105 50 0 JIAARN C[C@H](Cc1ccccc1)NC(=O)Cn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CCC3 ZINC000002387749 554178147 /nfs/dbraw/zinc/17/81/47/554178147.db2.gz WVGJWRBCXWQIBI-MRXNPFEDSA-N 0 0 494.016 4.103 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1N ZINC000002393415 554180448 /nfs/dbraw/zinc/18/04/48/554180448.db2.gz LFIDFIPIESWWAW-UHFFFAOYSA-N 0 0 452.765 4.114 50 0 JIAARN COC(=O)c1ccc(Oc2coc3cc(OCC(=O)OCc4ccccc4)ccc3c2=O)cc1 ZINC000002410898 554191633 /nfs/dbraw/zinc/19/16/33/554191633.db2.gz VYKDXIYWAYUWGL-UHFFFAOYSA-N 0 0 460.438 4.494 50 0 JIAARN Cc1ccc(S(=O)(=O)c2c(N)n(-c3ccc4c(c3)OCCO4)c3nc4ccccc4nc32)cc1C ZINC000002411066 554192002 /nfs/dbraw/zinc/19/20/02/554192002.db2.gz SUIVAJZWZOPWJN-UHFFFAOYSA-N 0 0 486.553 4.377 50 0 JIAARN Cc1cccc(CS(=O)(=O)c2nnc([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)o2)c1 ZINC000002412930 554193277 /nfs/dbraw/zinc/19/32/77/554193277.db2.gz PLKLULXRWFMWEX-IBGZPJMESA-N 0 0 457.552 4.160 50 0 aggregator JIAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Br)cc2)N1C[C@H]1CCCO1 ZINC000002416984 554195570 /nfs/dbraw/zinc/19/55/70/554195570.db2.gz PNIHWSKIHCQWLP-BEFAXECRSA-N 0 0 458.283 4.419 50 0 JIAARN CN1c2ccccc2[C@@]2(C1=O)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCc1ccccc1 ZINC000002419485 554197465 /nfs/dbraw/zinc/19/74/65/554197465.db2.gz DTQSPOQGEABYJV-MHZLTWQESA-N 0 0 470.912 4.365 50 0 JIAARN COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nnc(C)s2)cc(OC)c1OC ZINC000002420739 554198278 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COc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccc(F)cc5)CC4)sc3n2)cc1 ZINC000006531081 554549411 /nfs/dbraw/zinc/54/94/11/554549411.db2.gz VMLAJRDMUUJJPE-UHFFFAOYSA-N 0 0 450.539 4.481 50 0 JIAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCc2ccccc2Cl)cc1 ZINC000006577171 554552571 /nfs/dbraw/zinc/55/25/71/554552571.db2.gz JIYFJNODCDFJEO-UHFFFAOYSA-N 0 0 482.009 4.267 50 0 JIAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000006577535 554552954 /nfs/dbraw/zinc/55/29/54/554552954.db2.gz OOODTRAAHIDVPH-UHFFFAOYSA-N 0 0 469.517 4.214 50 0 JIAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000006577654 554553236 /nfs/dbraw/zinc/55/32/36/554553236.db2.gz NKUDRRDNSSGNQI-UHFFFAOYSA-N 0 0 475.574 4.139 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1 ZINC000006577795 554553396 /nfs/dbraw/zinc/55/33/96/554553396.db2.gz ZYMKDZRYEDXPDA-UHFFFAOYSA-N 0 0 451.527 4.075 50 0 JIAARN COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)o2)cc1 ZINC000006577998 554553897 /nfs/dbraw/zinc/55/38/97/554553897.db2.gz GLPBRMZVWRUIJT-UHFFFAOYSA-N 0 0 488.993 4.186 50 0 JIAARN CCOC(=O)c1ccccc1N[C@H]1c2ccccc2C(=O)N1C1CCN(C(=O)OCC)CC1 ZINC000006578160 554554113 /nfs/dbraw/zinc/55/41/13/554554113.db2.gz JDUMZQHRTULCPK-JOCHJYFZSA-N 0 0 451.523 4.051 50 0 JIAARN CCOc1ccc(OCC)c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2CCOC)c1 ZINC000006600676 554555439 /nfs/dbraw/zinc/55/54/39/554555439.db2.gz PDNGAJYPHNUFLT-UHFFFAOYSA-N 0 0 491.635 4.249 50 0 JIAARN COc1ccc(-c2cc(C(=O)Nc3cc(S(N)(=O)=O)ccc3C)c3ccccc3n2)cc1OC ZINC000008396754 554571718 /nfs/dbraw/zinc/57/17/18/554571718.db2.gz NGLWWWGKYIVQNW-UHFFFAOYSA-N 0 0 477.542 4.127 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000008397813 554572689 /nfs/dbraw/zinc/57/26/89/554572689.db2.gz UCNHHZDXZABKQZ-VOMPUTFMSA-N 0 0 473.381 4.105 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2O)C1=O ZINC000008400794 554576188 /nfs/dbraw/zinc/57/61/88/554576188.db2.gz JQFHQJGSGSZZKF-CXUHLZMHSA-N 0 0 461.337 4.447 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccc(OC)c2ccccc21 ZINC000008425539 554580398 /nfs/dbraw/zinc/58/03/98/554580398.db2.gz NBFLOXJVMAODSX-XOYGFPHKSA-N 0 0 490.606 4.022 50 0 JIAARN COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OC(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000008437116 554588207 /nfs/dbraw/zinc/58/82/07/554588207.db2.gz NIFZWSXERABNCS-BDTNDASRSA-N 0 0 466.440 4.348 50 0 JIAARN O=C(CCS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1cccnc1Cl ZINC000008442721 554592318 /nfs/dbraw/zinc/59/23/18/554592318.db2.gz RTNUBUZMOFMJSH-UHFFFAOYSA-N 0 0 470.860 4.013 50 0 JIAARN CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000008454231 554599575 /nfs/dbraw/zinc/59/95/75/554599575.db2.gz JRXCMAFXPDSWMH-UHFFFAOYSA-N 0 0 455.407 4.241 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(NCc4ccc5c(c4)OCO5)nc23)cc1C ZINC000008589318 554602209 /nfs/dbraw/zinc/60/22/09/554602209.db2.gz POEIRBWVSVWOHX-UHFFFAOYSA-N 0 0 493.570 4.129 50 0 JIAARN Cc1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccco2)cc1 ZINC000008601861 554603161 /nfs/dbraw/zinc/60/31/61/554603161.db2.gz KCEYRFXTWIRVGG-IBGZPJMESA-N 0 0 491.484 4.239 50 0 JIAARN COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000008737909 554639422 /nfs/dbraw/zinc/63/94/22/554639422.db2.gz UMWBOTVUSAMJQW-JOCHJYFZSA-N 0 0 466.925 4.010 50 0 JIAARN NC(=O)[C@@H]1CN(C(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)c2ccccc2O1 ZINC000008746456 554649547 /nfs/dbraw/zinc/64/95/47/554649547.db2.gz KUZLAYXTVLGOFU-QFIPXVFZSA-N 0 0 492.988 4.110 50 0 JIAARN O=C1C[C@H](c2ccccc2O)Cc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ncc21 ZINC000008758912 554660704 /nfs/dbraw/zinc/66/07/04/554660704.db2.gz DFNQEXZWUAIQLN-MRXNPFEDSA-N 0 0 468.479 4.440 50 0 JIAARN COc1ccccc1C(=O)N1CCN(c2nc(C)c3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)CC1 ZINC000008758902 554660742 /nfs/dbraw/zinc/66/07/42/554660742.db2.gz VQALWMHZDAIULX-LJQANCHMSA-N 0 0 490.991 4.322 50 0 JIAARN CCOC(=O)N[C@H]1Cc2ccccc2[C@H]1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000008762179 554661870 /nfs/dbraw/zinc/66/18/70/554661870.db2.gz RVIREDORLMXCKF-RBUKOAKNSA-N 0 0 468.907 4.288 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)N[C@@H](CCSC)C(=O)N1CCCC1)CC2 ZINC000008764214 554664649 /nfs/dbraw/zinc/66/46/49/554664649.db2.gz CFBSHOWNRDIYET-WIOPSUGQSA-N 0 0 497.661 4.105 50 0 biogenic JIAARN Cc1ccc(C(=O)N2CC3(C)CN(C(=O)c4ccc(C)cc4)CC(c4ccccc4)(C2)C3=O)cc1 ZINC000008768050 554668665 /nfs/dbraw/zinc/66/86/65/554668665.db2.gz KOTZPAOLJVZOJH-UHFFFAOYSA-N 0 0 466.581 4.429 50 0 JIAARN C[C@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000008770115 554670531 /nfs/dbraw/zinc/67/05/31/554670531.db2.gz SFWJVCDSEYLGFP-KRWDZBQOSA-N 0 0 471.030 4.480 50 0 JIAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000008772421 554672337 /nfs/dbraw/zinc/67/23/37/554672337.db2.gz YVAKPXFRFUJEOF-UHFFFAOYSA-N 0 0 483.590 4.226 50 0 JIAARN O=C1N(c2ccccc2)C(=O)C2(Cc3ccc(Cl)cc3N3CCOC[C@H]32)C(=O)N1c1ccccc1 ZINC000008773706 554672964 /nfs/dbraw/zinc/67/29/64/554672964.db2.gz LNLZHILTCZENHP-QHCPKHFHSA-N 0 0 487.943 4.288 50 0 JIAARN O=C(CCc1cccs1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000008778976 554675968 /nfs/dbraw/zinc/67/59/68/554675968.db2.gz CJFXBHORLASNFO-UHFFFAOYSA-N 0 0 458.561 4.282 50 0 JIAARN CCCCCN1CC(=O)N2C[C@@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789620 554682088 /nfs/dbraw/zinc/68/20/88/554682088.db2.gz HLHOFAJAVKWNMN-MMTVBGGISA-N 0 0 475.589 4.407 50 0 biogenic JIAARN COc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3cc(C)on3)c3ccccc32)cc1 ZINC000008795987 554686415 /nfs/dbraw/zinc/68/64/15/554686415.db2.gz RWIRJRPAIDNKLP-UHFFFAOYSA-N 0 0 464.547 4.107 50 0 JIAARN CCOC(=O)N1CCC(NC(=O)c2ccc(Sc3ccc(C)cc3)c(NC(C)=O)c2)CC1 ZINC000008811471 554692590 /nfs/dbraw/zinc/69/25/90/554692590.db2.gz OXKSAJJUBXHOKU-UHFFFAOYSA-N 0 0 455.580 4.455 50 0 JIAARN COc1ccc(NC(=O)CN2c3ccc(Cl)cc3C(c3ccccc3)=NCC2=O)c(OC)c1 ZINC000008813403 554695998 /nfs/dbraw/zinc/69/59/98/554695998.db2.gz VCXXTGWMEKHZDD-UHFFFAOYSA-N 0 0 463.921 4.180 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)NCCCN(C)c3ccccc3)CC2)c(C)c1 ZINC000008814198 554696304 /nfs/dbraw/zinc/69/63/04/554696304.db2.gz IEPSURKCZWCGDQ-UHFFFAOYSA-N 0 0 485.694 4.339 50 0 JIAARN O=C(CCc1ccco1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000008824379 554711510 /nfs/dbraw/zinc/71/15/10/554711510.db2.gz SKPCSTPOVDFEFJ-UHFFFAOYSA-N 0 0 489.981 4.142 50 0 JIAARN Cc1ccc(NC(=O)CSCC(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1 ZINC000008824791 554712109 /nfs/dbraw/zinc/71/21/09/554712109.db2.gz VUDPLKQJBWFODZ-UHFFFAOYSA-N 0 0 470.469 4.056 50 0 JIAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)cc12 ZINC000008824821 554712122 /nfs/dbraw/zinc/71/21/22/554712122.db2.gz YJQHZWLXYGMNEX-UHFFFAOYSA-N 0 0 495.944 4.479 50 0 JIAARN C[C@@H](OC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008826398 554716087 /nfs/dbraw/zinc/71/60/87/554716087.db2.gz LEVXIWLXXVGEIW-XUBOLADHSA-N 0 0 490.691 4.396 50 0 JIAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)N2CCN(c3ccccc3)CC2)cc1C ZINC000008826381 554716123 /nfs/dbraw/zinc/71/61/23/554716123.db2.gz TUUSNILBNNEHQQ-UHFFFAOYSA-N 0 0 484.625 4.443 50 0 JIAARN CSc1nsc(SC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(C)C ZINC000008829018 554719423 /nfs/dbraw/zinc/71/94/23/554719423.db2.gz QRKCGCNHZULPSK-QGZVFWFLSA-N 0 0 471.695 4.024 50 0 JIAARN COc1cccc(C(=O)Nc2nc(-c3nnn(-c4ccccc4C(F)(F)F)c3C)ns2)c1 ZINC000008831175 554721353 /nfs/dbraw/zinc/72/13/53/554721353.db2.gz XUDSCXNFRSWGJM-UHFFFAOYSA-N 0 0 460.441 4.374 50 0 JIAARN O=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000008842388 554740106 /nfs/dbraw/zinc/74/01/06/554740106.db2.gz MTFLCPIFAPIWAM-UHFFFAOYSA-N 0 0 452.558 4.473 50 0 JIAARN COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OCC(C)C)c(OC)c1 ZINC000008845319 554742105 /nfs/dbraw/zinc/74/21/05/554742105.db2.gz LAYIMGMCXKXJLM-VWLOTQADSA-N 0 0 465.550 4.407 50 0 JIAARN CCOc1cc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)ccc1O ZINC000008845722 554743737 /nfs/dbraw/zinc/74/37/37/554743737.db2.gz BVPCWGHWNIGWDR-RUZDIDTESA-N 0 0 456.502 4.335 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C(C)=O)cc3)cs2)c1 ZINC000008850148 554747311 /nfs/dbraw/zinc/74/73/11/554747311.db2.gz FJAIDKVJIXLVCI-UHFFFAOYSA-N 0 0 482.587 4.216 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c(C)n1CCc1cccs1 ZINC000008850125 554747317 /nfs/dbraw/zinc/74/73/17/554747317.db2.gz DRQAEDLTMADPIA-XMMPIXPASA-N 0 0 453.539 4.198 50 0 JIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3cc(C)ccc3OC)cs2)c1 ZINC000008851155 554748031 /nfs/dbraw/zinc/74/80/31/554748031.db2.gz DNVUOCXBIDGYDP-UHFFFAOYSA-N 0 0 457.577 4.381 50 0 JIAARN COc1ccccc1CNC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000008852358 554748907 /nfs/dbraw/zinc/74/89/07/554748907.db2.gz GPRXUYPRFUNPMA-UHFFFAOYSA-N 0 0 461.996 4.395 50 0 JIAARN CSc1ccccc1NC(=O)CN(C)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000008855770 554751678 /nfs/dbraw/zinc/75/16/78/554751678.db2.gz LBBMVGQVLISYLH-UHFFFAOYSA-N 0 0 457.559 4.367 50 0 JIAARN COc1ccc(S[C@@H]2CC(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C2=O)cc1 ZINC000008857011 554753222 /nfs/dbraw/zinc/75/32/22/554753222.db2.gz ASPVRCZWEUOXDB-OAHLLOKOSA-N 0 0 459.877 4.094 50 0 JIAARN Cc1ccccc1-n1cnnc1SCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000008862042 554759485 /nfs/dbraw/zinc/75/94/85/554759485.db2.gz SBZQRBKFCMFCSU-UHFFFAOYSA-N 0 0 493.614 4.132 50 0 JIAARN O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc2c(c1)NC(=O)CO2 ZINC000008862265 554759884 /nfs/dbraw/zinc/75/98/84/554759884.db2.gz DBABQEMVTKRZKQ-UHFFFAOYSA-N 0 0 470.938 4.151 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)c1 ZINC000008862437 554760415 /nfs/dbraw/zinc/76/04/15/554760415.db2.gz DMTDUEXSAXPOLS-UHFFFAOYSA-N 0 0 479.587 4.028 50 0 JIAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2CCc2ccc(F)cc2)cc1 ZINC000008869683 554763554 /nfs/dbraw/zinc/76/35/54/554763554.db2.gz AUGBHLDSOHQBDO-OAQYLSRUSA-N 0 0 457.571 4.003 50 0 JIAARN CC(C)(C)c1ccc(CN(C(=O)COc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008869955 554764116 /nfs/dbraw/zinc/76/41/16/554764116.db2.gz TVNSVULADABKMK-FQEVSTJZSA-N 0 0 450.000 4.232 50 0 JIAARN Cc1cc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(C(F)(F)F)cc2n1 ZINC000008870916 554765882 /nfs/dbraw/zinc/76/58/82/554765882.db2.gz YXXDJIXTAQOECR-UHFFFAOYSA-N 0 0 451.470 4.327 50 0 JIAARN COc1ccc(-c2nc(C)c(-c3ccc(SCC(=O)Nc4nnc(C)s4)nn3)s2)cc1 ZINC000008875803 554771127 /nfs/dbraw/zinc/77/11/27/554771127.db2.gz PNTDWADWSGUGEL-UHFFFAOYSA-N 0 0 470.605 4.475 50 0 JIAARN O=C(NCc1ccc(Cn2cccn2)cc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000008882018 554776875 /nfs/dbraw/zinc/77/68/75/554776875.db2.gz IOWOUMKOSBOHIM-UHFFFAOYSA-N 0 0 458.587 4.427 50 0 JIAARN O=C(CNC(=O)COC(=O)CSc1cccc2cccc(Cl)c21)Nc1ccc(F)c(F)c1F ZINC000008883627 554778235 /nfs/dbraw/zinc/77/82/35/554778235.db2.gz ANWYQNYDQKOALS-UHFFFAOYSA-N 0 0 496.894 4.301 50 0 JIAARN COCCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000008895341 554784961 /nfs/dbraw/zinc/78/49/61/554784961.db2.gz JJPFGJCTSXCDDV-HNNXBMFYSA-N 0 0 485.997 4.101 50 0 JIAARN Cc1cc2oc(C(=O)N(Cc3ccccc3Cl)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2cc1Cl ZINC000008915289 554808736 /nfs/dbraw/zinc/80/87/36/554808736.db2.gz WTMVAZJHAQPHBP-OAHLLOKOSA-N 0 0 480.369 4.238 50 0 JIAARN CCOc1ccc2nc(NC(=O)c3nc(S(=O)(=O)Cc4ccccc4)ncc3Cl)sc2c1 ZINC000008917178 554812082 /nfs/dbraw/zinc/81/20/82/554812082.db2.gz MGTPPHNMOZBPFP-UHFFFAOYSA-N 0 0 488.978 4.365 50 0 JIAARN CCN1C(=O)[C@](O)(CC(=O)c2ccc(Br)s2)c2cc(Br)ccc21 ZINC000008921830 554818898 /nfs/dbraw/zinc/81/88/98/554818898.db2.gz GKAZVTQVCZTOMG-INIZCTEOSA-N 0 0 459.159 4.100 50 0 JIAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(COc3ccc(C(C)(C)C)cc3)n2N)c1 ZINC000008923935 554821154 /nfs/dbraw/zinc/82/11/54/554821154.db2.gz ORRVBHIAQHQUKI-MRXNPFEDSA-N 0 0 467.595 4.190 50 0 JIAARN C[C@@H](NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)c1ccc2c(c1)OCCO2 ZINC000008933115 554826823 /nfs/dbraw/zinc/82/68/23/554826823.db2.gz PFUURQOBFVIZRY-LJQANCHMSA-N 0 0 494.551 4.048 50 0 JIAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)N1CCc2ccccc2C1 ZINC000008933324 554827368 /nfs/dbraw/zinc/82/73/68/554827368.db2.gz CGPIGMXOAQAUKZ-UHFFFAOYSA-N 0 0 466.516 4.124 50 0 JIAARN COc1ccccc1CNC(=O)Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O ZINC000008933557 554827780 /nfs/dbraw/zinc/82/77/80/554827780.db2.gz IJLROBXZCMNTTR-UHFFFAOYSA-N 0 0 486.959 4.378 50 0 JIAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC000008936686 554830519 /nfs/dbraw/zinc/83/05/19/554830519.db2.gz PSNLMBBTFCDMIM-UHFFFAOYSA-N 0 0 493.585 4.009 50 0 JIAARN O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000008943514 554832563 /nfs/dbraw/zinc/83/25/63/554832563.db2.gz QPSBLMZKOMIOGV-UHFFFAOYSA-N 0 0 471.922 4.078 50 0 JIAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)cc12 ZINC000008943885 554832753 /nfs/dbraw/zinc/83/27/53/554832753.db2.gz XIEXKFAIKPGLDE-OAHLLOKOSA-N 0 0 486.594 4.074 50 0 JIAARN COc1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)c3sc(C)nc3c2=O)c(OC)c1 ZINC000008955236 554836791 /nfs/dbraw/zinc/83/67/91/554836791.db2.gz IRKBXFPHGHXTIX-UHFFFAOYSA-N 0 0 470.938 4.138 50 0 JIAARN CC[C@@H](C(=O)Nc1cc(OC)cc(OC)c1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965255 554839431 /nfs/dbraw/zinc/83/94/31/554839431.db2.gz RYFCHAXORJHECM-QHCPKHFHSA-N 0 0 460.534 4.411 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Br)n1N ZINC000008966387 554842532 /nfs/dbraw/zinc/84/25/32/554842532.db2.gz VHXJFJHEKDJTSX-SNVBAGLBSA-N 0 0 482.791 4.203 50 0 JIAARN COc1cc(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000008971849 554844339 /nfs/dbraw/zinc/84/43/39/554844339.db2.gz UCDXYKHDGAPBHY-QFQXNSOFSA-N 0 0 492.915 4.447 50 0 JIAARN CCCCCCOc1cccc(-n2c(-c3ccccc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 ZINC000008972729 554844366 /nfs/dbraw/zinc/84/43/66/554844366.db2.gz LNTFQKIUWJKBJQ-UHFFFAOYSA-N 0 0 471.561 4.302 50 0 JIAARN COc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)cc1 ZINC000008985292 554848773 /nfs/dbraw/zinc/84/87/73/554848773.db2.gz SDXWEXOCVWFWHK-GHTZIAJQSA-N 0 0 457.530 4.496 50 0 JIAARN O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000008987455 554849956 /nfs/dbraw/zinc/84/99/56/554849956.db2.gz LNLAANMHKZRNOB-UHFFFAOYSA-N 0 0 480.552 4.301 50 0 JIAARN O=C(CN1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1)Nc1ccccc1 ZINC000008988179 554850583 /nfs/dbraw/zinc/85/05/83/554850583.db2.gz CQYWWJDTNZZBQR-UHFFFAOYSA-N 0 0 485.613 4.434 50 0 JIAARN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCc5ccccn5)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000008997555 554859139 /nfs/dbraw/zinc/85/91/39/554859139.db2.gz MFDCFYCYCXICHN-MROJNVNVSA-N 0 0 493.648 4.353 50 0 JIAARN O=c1/c(=C/c2cccnc2)sc2n1[C@@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 ZINC000009009936 554863504 /nfs/dbraw/zinc/86/35/04/554863504.db2.gz PAZFMCSORGMFAB-YMSBRDKKSA-N 0 0 455.970 4.367 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 ZINC000009010718 554864013 /nfs/dbraw/zinc/86/40/13/554864013.db2.gz FRNFZFQMURXSSU-OAHLLOKOSA-N 0 0 462.531 4.116 50 0 JIAARN CCOc1ccc(OCc2nnc(SCC(=O)N3CCCC3=O)n2-c2ccc(Cl)cc2)cc1 ZINC000009023657 554867229 /nfs/dbraw/zinc/86/72/29/554867229.db2.gz XTPFQHIJTGHDGP-UHFFFAOYSA-N 0 0 486.981 4.140 50 0 JIAARN CCCc1cc(=O)oc2c(C)c(OCC(=O)N3Cc4[nH]c5ccccc5c4C[C@H]3C(=O)OC)ccc12 ZINC000009033992 554868335 /nfs/dbraw/zinc/86/83/35/554868335.db2.gz GFLUJKDUGQQBPE-QHCPKHFHSA-N 0 0 488.540 4.041 50 0 biogenic JIAARN CN1C(=O)COc2ccc(C(=O)Cn3cnc4scc(-c5ccc(Cl)cc5)c4c3=O)cc21 ZINC000009043986 554869758 /nfs/dbraw/zinc/86/97/58/554869758.db2.gz IPJUAACFCIIDBY-UHFFFAOYSA-N 0 0 465.918 4.017 50 0 JIAARN Cc1c(NC(=O)c2cccc(NC(=O)Cc3ccccc3F)c2)c(=O)n(-c2ccccc2)n1C ZINC000009056566 554875259 /nfs/dbraw/zinc/87/52/59/554875259.db2.gz NNZMQKKNGWKNDP-UHFFFAOYSA-N 0 0 458.493 4.057 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3n2C)c1 ZINC000009056874 554875895 /nfs/dbraw/zinc/87/58/95/554875895.db2.gz JVLCUFJYWLGHPB-UHFFFAOYSA-N 0 0 466.588 4.129 50 0 JIAARN Cc1ccc(NC(=O)c2cncn2-c2ccccc2)cc1S(=O)(=O)Nc1ccccc1F ZINC000009058184 554877399 /nfs/dbraw/zinc/87/73/99/554877399.db2.gz DVTQYCZKNUAITI-UHFFFAOYSA-N 0 0 450.495 4.373 50 0 JIAARN COc1ccc(C)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000009094897 554892395 /nfs/dbraw/zinc/89/23/95/554892395.db2.gz SVMHAWOMXSMBEI-NRFANRHFSA-N 0 0 458.967 4.185 50 0 JIAARN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)NCc1ccccc1 ZINC000009094973 554892658 /nfs/dbraw/zinc/89/26/58/554892658.db2.gz LODPZYQYFHTWOP-UHFFFAOYSA-N 0 0 464.465 4.445 50 0 JIAARN CC[C@H](Sc1nnc(CCNC(=O)c2ccc(Cl)cc2)n1C)C(=O)Nc1ccccc1F ZINC000009095888 554894200 /nfs/dbraw/zinc/89/42/00/554894200.db2.gz WGGHYPPUZUUJHZ-SFHVURJKSA-N 0 0 475.977 4.090 50 0 JIAARN CC[C@@H](Sc1nnc(CCNC(=O)c2ccc(Cl)cc2)n1C)C(=O)Nc1ccc(F)cc1F ZINC000009095887 554894207 /nfs/dbraw/zinc/89/42/07/554894207.db2.gz 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COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCCc5ccccc5)C4)sc3n2)cc1 ZINC000009117446 554906835 /nfs/dbraw/zinc/90/68/35/554906835.db2.gz QGEKUSMSCPTZEB-FQEVSTJZSA-N 0 0 461.591 4.042 50 0 JIAARN COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCCc5ccccc5)C4)sc3n2)cc1 ZINC000009117448 554906879 /nfs/dbraw/zinc/90/68/79/554906879.db2.gz QGEKUSMSCPTZEB-HXUWFJFHSA-N 0 0 461.591 4.042 50 0 JIAARN COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCc5cccc(F)c5)C4)sc3n2)cc1 ZINC000009117479 554906997 /nfs/dbraw/zinc/90/69/97/554906997.db2.gz MOYHJDIJWWSPDW-GOSISDBHSA-N 0 0 465.554 4.138 50 0 JIAARN Cc1c(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)sc2nc3n(c(=O)c12)CCC3 ZINC000009119920 554911820 /nfs/dbraw/zinc/91/18/20/554911820.db2.gz UKFHUNIBKNBXIO-UHFFFAOYSA-N 0 0 487.581 4.098 50 0 JIAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)COC(=O)c1cc2ccccc2oc1=O ZINC000009120162 554912547 /nfs/dbraw/zinc/91/25/47/554912547.db2.gz QVYQIZAYUZLHNL-UHFFFAOYSA-N 0 0 491.327 4.134 50 0 JIAARN Cc1cc(C(=O)CSc2nnc(C(F)(F)F)n2C)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000009120318 554913086 /nfs/dbraw/zinc/91/30/86/554913086.db2.gz QNGTWVGRHJJYRB-AWEZNQCLSA-N 0 0 466.485 4.067 50 0 JIAARN COc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc(OC)c1OC ZINC000009123910 554914664 /nfs/dbraw/zinc/91/46/64/554914664.db2.gz CYDHIXAHGZFDKM-DEOSSOPVSA-N 0 0 481.549 4.168 50 0 JIAARN CC(C)c1ccc(-n2ccnc2SCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009125328 554917575 /nfs/dbraw/zinc/91/75/75/554917575.db2.gz YURZIKQYEJFZOS-HXUWFJFHSA-N 0 0 489.688 4.365 50 0 JIAARN O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccc(Br)cc1Br ZINC000009125427 554917735 /nfs/dbraw/zinc/91/77/35/554917735.db2.gz XPUKKVCTGGAWPH-UHFFFAOYSA-N 0 0 471.536 4.214 50 0 JIAARN Cc1ccc2nc(CSc3nnc(COc4ccccc4Cl)n3C3CC3)cc(=O)n2c1 ZINC000009126404 554919987 /nfs/dbraw/zinc/91/99/87/554919987.db2.gz RKASAEFGYGCZON-UHFFFAOYSA-N 0 0 453.955 4.454 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCCn1c(=O)oc2ccccc21 ZINC000009126519 554920514 /nfs/dbraw/zinc/92/05/14/554920514.db2.gz SCKROHWCWPHNCD-UHFFFAOYSA-N 0 0 469.847 4.144 50 0 JIAARN CC(=O)c1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)CC2)cc1 ZINC000009127073 554921841 /nfs/dbraw/zinc/92/18/41/554921841.db2.gz LKIIIAKIRBPEDF-UHFFFAOYSA-N 0 0 498.004 4.306 50 0 JIAARN Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)ccc2n1-c1ccccc1 ZINC000009127808 554923451 /nfs/dbraw/zinc/92/34/51/554923451.db2.gz UCBHMYRIYUQMCT-UHFFFAOYSA-N 0 0 460.559 4.371 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)Nc1ccccc1C(=O)NCc1ccc(F)cc1)CC2 ZINC000009134857 554932053 /nfs/dbraw/zinc/93/20/53/554932053.db2.gz PYMKKHFAFHPDMC-UHFFFAOYSA-N 0 0 463.509 4.363 50 0 JIAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000009138898 554934156 /nfs/dbraw/zinc/93/41/56/554934156.db2.gz OQTPWDLDJHZPRL-UHFFFAOYSA-N 0 0 465.999 4.067 50 0 JIAARN CCN(CCCNC(=O)CN1c2cc(C)ccc2Oc2ncccc2C1=O)c1cccc(C)c1 ZINC000009151469 554938756 /nfs/dbraw/zinc/93/87/56/554938756.db2.gz HNIUAOCTYAEGPH-UHFFFAOYSA-N 0 0 458.562 4.484 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009153009 554941768 /nfs/dbraw/zinc/94/17/68/554941768.db2.gz NYVSYFWYAVGELH-MRXNPFEDSA-N 0 0 468.989 4.378 50 0 JIAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3cccc(C)c3)c(=O)n1CC(=O)Nc1ccccc1F)n2C ZINC000009153596 554943427 /nfs/dbraw/zinc/94/34/27/554943427.db2.gz XBWQPKIFHPNIHP-UHFFFAOYSA-N 0 0 470.504 4.039 50 0 JIAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009155999 554946023 /nfs/dbraw/zinc/94/60/23/554946023.db2.gz VRNSCPBOMWKYRV-KDOFPFPSSA-N 0 0 470.526 4.111 50 0 JIAARN CCOc1ccc(-n2c(SCC(=O)N3CCCC3=O)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000009157626 554946985 /nfs/dbraw/zinc/94/69/85/554946985.db2.gz MNBJJKIHBGRMAD-UHFFFAOYSA-N 0 0 461.547 4.055 50 0 JIAARN COc1ccc(CN2C(=S)N(Cc3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000009167219 554951547 /nfs/dbraw/zinc/95/15/47/554951547.db2.gz DQOZJCJTYNNNQE-HSZRJFAPSA-N 0 0 477.561 4.361 50 0 JIAARN 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CCc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]23)cc1 ZINC000009559257 555353531 /nfs/dbraw/zinc/35/35/31/555353531.db2.gz KAFKUBQFFIICEN-SXOMAYOGSA-N 0 0 470.569 4.419 50 0 JIAARN CCOc1ccccc1CNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12 ZINC000009559236 555353539 /nfs/dbraw/zinc/35/35/39/555353539.db2.gz LRFVDQZEETYGQS-RRPNLBNLSA-N 0 0 486.568 4.256 50 0 JIAARN CCOc1ccc(OCC)c(-c2csc(NC(=O)c3nn(C)c(=O)c4ccccc43)n2)c1 ZINC000013149818 555353809 /nfs/dbraw/zinc/35/38/09/555353809.db2.gz SFYFHIDLLVQLCS-UHFFFAOYSA-N 0 0 450.520 4.107 50 0 JIAARN CCOc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]23)cc1 ZINC000009559302 555353843 /nfs/dbraw/zinc/35/38/43/555353843.db2.gz FNITUUWBRHAYLE-SXOMAYOGSA-N 0 0 486.568 4.256 50 0 JIAARN Cc1cccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)c1 ZINC000009559407 555354111 /nfs/dbraw/zinc/35/41/11/555354111.db2.gz FJQABPREPHYCKU-SFHVURJKSA-N 0 0 465.394 4.477 50 0 JIAARN Cn1c(SCC(=O)OCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1F 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MONRYIVNOQOXSK-UHFFFAOYSA-N 0 0 456.589 4.103 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)ccc1Cl ZINC000013163969 555363442 /nfs/dbraw/zinc/36/34/42/555363442.db2.gz SPRGPJMRUPSIRH-UHFFFAOYSA-N 0 0 477.966 4.451 50 0 JIAARN O=c1[nH]c(CSc2nnc(-c3ccco3)o2)nc2c(Br)cc(Br)cc12 ZINC000013164835 555366735 /nfs/dbraw/zinc/36/67/35/555366735.db2.gz XTITUAUSSCPVDQ-UHFFFAOYSA-N 0 0 484.129 4.383 50 0 JIAARN COc1ccc(CC(=O)Nc2cccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)cc1F ZINC000013164903 555367008 /nfs/dbraw/zinc/36/70/08/555367008.db2.gz PBCLGNAPLMAQCC-UHFFFAOYSA-N 0 0 488.519 4.066 50 0 JIAARN COC(=O)c1sc2nc(C)nc(S[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)c2c1C ZINC000009662458 555368367 /nfs/dbraw/zinc/36/83/67/555368367.db2.gz OCOVHWMMJVNAIM-CQSZACIVSA-N 0 0 486.619 4.051 50 0 JIAARN O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1)Nc1ccc(Cl)cc1 ZINC000009573645 555370414 /nfs/dbraw/zinc/37/04/14/555370414.db2.gz HYVPGERZQCZCCW-UHFFFAOYSA-N 0 0 455.971 4.332 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009664446 555373611 /nfs/dbraw/zinc/37/36/11/555373611.db2.gz AZVRUMDLLAQNEP-UHFFFAOYSA-N 0 0 464.971 4.009 50 0 JIAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1oc2ccccc2c1COc1ccccc1 ZINC000009664663 555374194 /nfs/dbraw/zinc/37/41/94/555374194.db2.gz NBVFPDKOYJESEL-UHFFFAOYSA-N 0 0 492.553 4.285 50 0 JIAARN Cc1ccc(-c2csc3c2ncn2c(=O)n(CC(=O)Nc4ccc(Br)cc4)nc32)cc1 ZINC000013349898 555379951 /nfs/dbraw/zinc/37/99/51/555379951.db2.gz GLPNUINLZODKAX-UHFFFAOYSA-N 0 0 494.374 4.482 50 0 JIAARN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000009667307 555380530 /nfs/dbraw/zinc/38/05/30/555380530.db2.gz KNVSXLQUNSDJMQ-HRFSGMKKSA-N 0 0 464.569 4.450 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN(C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000009579009 555381774 /nfs/dbraw/zinc/38/17/74/555381774.db2.gz PFBXYMYSHXRVGB-UHFFFAOYSA-N 0 0 469.545 4.204 50 0 JIAARN NC(=O)c1c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 ZINC000009668115 555381782 /nfs/dbraw/zinc/38/17/82/555381782.db2.gz NYUSUIDTTVCVLP-UHFFFAOYSA-N 0 0 465.600 4.432 50 0 JIAARN COc1ccc(CNC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1 ZINC000013355269 555382690 /nfs/dbraw/zinc/38/26/90/555382690.db2.gz DUYMYBZSMDAFNL-UHFFFAOYSA-N 0 0 450.560 4.077 50 0 biogenic JIAARN COc1cccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)C(C)C)c1 ZINC000013356204 555383265 /nfs/dbraw/zinc/38/32/65/555383265.db2.gz AUEHUIAKPCXJEX-QHCPKHFHSA-N 0 0 456.539 4.443 50 0 JIAARN CCCCNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)c2)CC1 ZINC000013357278 555383938 /nfs/dbraw/zinc/38/39/38/555383938.db2.gz RCGLQDNWGMDHGN-UHFFFAOYSA-N 0 0 497.661 4.135 50 0 JIAARN O=C(Nc1ccccc1)C1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000009669607 555384176 /nfs/dbraw/zinc/38/41/76/555384176.db2.gz IMSZPYDRZLDEJC-HXUWFJFHSA-N 0 0 453.970 4.070 50 0 JIAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)NCC2CCCCC2)cc1OC ZINC000009579965 555384582 /nfs/dbraw/zinc/38/45/82/555384582.db2.gz KZEJGEVUUDWCAQ-UHFFFAOYSA-N 0 0 467.591 4.192 50 0 JIAARN CCCCn1c(=O)c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009670241 555386579 /nfs/dbraw/zinc/38/65/79/555386579.db2.gz CFTVUUWEXJLVSQ-SFHVURJKSA-N 0 0 466.607 4.153 50 0 JIAARN COc1cc(C(=O)Nc2c(-c3ccc4c(c3)OCO4)c(=O)c3ccccc3n2C)cc(OC)c1OC ZINC000009580796 555386885 /nfs/dbraw/zinc/38/68/85/555386885.db2.gz VANVCDGZHFQILI-UHFFFAOYSA-N 0 0 488.496 4.212 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3cccnc3)cs2)c1 ZINC000009670276 555386983 /nfs/dbraw/zinc/38/69/83/555386983.db2.gz NFRZTDWLGYDOLK-UHFFFAOYSA-N 0 0 450.973 4.141 50 0 JIAARN Cc1ccc(NC(=O)CN2C(=O)C(c3cccs3)=NC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000013363108 555387944 /nfs/dbraw/zinc/38/79/44/555387944.db2.gz VPBDPOGBDHSFNY-UHFFFAOYSA-N 0 0 482.606 4.054 50 0 JIAARN CCOc1ccc(CCNC(=O)C[S@@](=O)Cc2nc(-c3cccs3)oc2C)cc1OCC ZINC000013366193 555389146 /nfs/dbraw/zinc/38/91/46/555389146.db2.gz KFXOWTYUCOBVEZ-JGCGQSQUSA-N 0 0 476.620 4.117 50 0 JIAARN CCN(CC(=O)NCc1cccs1)C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000009671020 555389351 /nfs/dbraw/zinc/38/93/51/555389351.db2.gz GCPTUKOHHACUMI-UHFFFAOYSA-N 0 0 478.437 4.342 50 0 JIAARN CCc1ccc(NC(=O)[C@@H]2CCCN(Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000013367192 555389467 /nfs/dbraw/zinc/38/94/67/555389467.db2.gz HDLHUOIVTONUNC-LJQANCHMSA-N 0 0 450.539 4.167 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cncn2-c2ccc(F)cc2)cc1 ZINC000009672212 555393425 /nfs/dbraw/zinc/39/34/25/555393425.db2.gz JQDMXERWXVZZLK-UHFFFAOYSA-N 0 0 464.522 4.084 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)Cc3cnn(-c4ccccc4)c3)[C@H](c3ccco3)C2)cc1 ZINC000009586008 555396262 /nfs/dbraw/zinc/39/62/62/555396262.db2.gz NPEXDEFYGRWPTA-VWLOTQADSA-N 0 0 469.545 4.284 50 0 JIAARN COc1ccccc1N1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000009673241 555396629 /nfs/dbraw/zinc/39/66/29/555396629.db2.gz OKMDCZNNAUPLQY-ZEQRLZLVSA-N 0 0 461.587 4.016 50 0 JIAARN COc1ccc(OC(C)=O)c([C@H]2OC(c3ccc(NC(=O)c4ccc(C)cc4)cc3)=NN2C(C)=O)c1 ZINC000009586404 555396836 /nfs/dbraw/zinc/39/68/36/555396836.db2.gz UEFCEKHPAUBUSJ-HHHXNRCGSA-N 0 0 487.512 4.420 50 0 JIAARN COc1ccccc1N1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000009673516 555397238 /nfs/dbraw/zinc/39/72/38/555397238.db2.gz OKMDCZNNAUPLQY-RPWUZVMVSA-N 0 0 461.587 4.016 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)Cc1ccc2ccccc2c1 ZINC000009590711 555403634 /nfs/dbraw/zinc/40/36/34/555403634.db2.gz WEAYYPDTWHKFAJ-UHFFFAOYSA-N 0 0 481.618 4.094 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nnnn1C1CCCC1)CC2 ZINC000009593552 555408716 /nfs/dbraw/zinc/40/87/16/555408716.db2.gz PSVYIFIAYKWGJB-DEOSSOPVSA-N 0 0 479.606 4.072 50 0 JIAARN Cc1ccc(-c2csc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2)cc1C ZINC000009593566 555409011 /nfs/dbraw/zinc/40/90/11/555409011.db2.gz DAQCKKDNPUMHLQ-UHFFFAOYSA-N 0 0 471.604 4.009 50 0 JIAARN CCc1ccc(CNC(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000009681912 555409961 /nfs/dbraw/zinc/40/99/61/555409961.db2.gz VLGZXTNVJKEZJE-UHFFFAOYSA-N 0 0 466.541 4.378 50 0 JIAARN Cc1nc2ccc(S(=O)(=O)N(CC(=O)Nc3ccccc3)Cc3ccccc3)cc2s1 ZINC000009683422 555411616 /nfs/dbraw/zinc/41/16/16/555411616.db2.gz WCSMTARTOLSHMP-UHFFFAOYSA-N 0 0 451.573 4.434 50 0 JIAARN CN(c1ccc(OCC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1)S(=O)(=O)c1cccs1 ZINC000009683480 555411847 /nfs/dbraw/zinc/41/18/47/555411847.db2.gz UGSLBHVKXLEDPX-LJQANCHMSA-N 0 0 492.619 4.444 50 0 JIAARN COc1ccc(CCNC(=O)CCCN2c3ccccc3Sc3ncccc3C2=O)cc1OC ZINC000009687742 555415460 /nfs/dbraw/zinc/41/54/60/555415460.db2.gz FNPUMTKMACFQEK-UHFFFAOYSA-N 0 0 477.586 4.349 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)Cn1c2ccsc2c(=O)n(-c2cc(C)cc(C)c2)c1=O ZINC000009598686 555417019 /nfs/dbraw/zinc/41/70/19/555417019.db2.gz IYKWLEGCKLVCOU-UHFFFAOYSA-N 0 0 469.950 4.131 50 0 JIAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)C1=O ZINC000009690145 555417269 /nfs/dbraw/zinc/41/72/69/555417269.db2.gz BQQLNYSEYAEFRQ-AMGIVPHBSA-N 0 0 470.529 4.123 50 0 JIAARN O=C(CCCCCn1c(=O)c2sccc2n(Cc2ccccc2F)c1=O)NCc1ccc(F)cc1 ZINC000009598929 555417859 /nfs/dbraw/zinc/41/78/59/555417859.db2.gz LEQBZRSRYPYYQN-UHFFFAOYSA-N 0 0 497.567 4.428 50 0 JIAARN CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2c1CCCCC2 ZINC000009599761 555420413 /nfs/dbraw/zinc/42/04/13/555420413.db2.gz USUNUWCXGQMVDT-MRXNPFEDSA-N 0 0 489.663 4.192 50 0 JIAARN Cc1ccccc1CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1 ZINC000009600066 555421715 /nfs/dbraw/zinc/42/17/15/555421715.db2.gz BRACZANWYHEVDL-UHFFFAOYSA-N 0 0 474.633 4.176 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009601436 555426383 /nfs/dbraw/zinc/42/63/83/555426383.db2.gz IVNLKKMFAJHCOE-QHCPKHFHSA-N 0 0 489.503 4.369 50 0 JIAARN CC(=O)Nc1ccc(SCC(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000009699682 555426746 /nfs/dbraw/zinc/42/67/46/555426746.db2.gz MAKNOPNGVWQANJ-UHFFFAOYSA-N 0 0 459.524 4.182 50 0 JIAARN Cc1cc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)no1 ZINC000009605473 555432148 /nfs/dbraw/zinc/43/21/48/555432148.db2.gz OHVRZKUMCWAUAL-HNNXBMFYSA-N 0 0 463.519 4.138 50 0 JIAARN O=C(Nc1ccccc1N1CCOCC1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl ZINC000009712058 555435387 /nfs/dbraw/zinc/43/53/87/555435387.db2.gz VVAFTANGIXGIMN-VWLOTQADSA-N 0 0 475.976 4.382 50 0 JIAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000009712113 555435772 /nfs/dbraw/zinc/43/57/72/555435772.db2.gz MGLNUEUUIOMNHQ-UHFFFAOYSA-N 0 0 450.520 4.282 50 0 JIAARN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000009712279 555436359 /nfs/dbraw/zinc/43/63/59/555436359.db2.gz ASOZGUQQHAMTFS-UHFFFAOYSA-N 0 0 463.559 4.281 50 0 JIAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000009712382 555436690 /nfs/dbraw/zinc/43/66/90/555436690.db2.gz HDZPBIVGLUBBLF-AREMUKBSSA-N 0 0 484.537 4.132 50 0 JIAARN COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)NCc4cccs4)c(C)n3n2)c1 ZINC000009609154 555437318 /nfs/dbraw/zinc/43/73/18/555437318.db2.gz OCIWFPFCMNFLBX-UHFFFAOYSA-N 0 0 450.564 4.341 50 0 JIAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N4CCS[C@@H]4c4ccccc4F)C3=O)ccc2c1 ZINC000009609982 555439413 /nfs/dbraw/zinc/43/94/13/555439413.db2.gz JYTHZMLMUREJEE-ZEQKJWHPSA-N 0 0 493.560 4.029 50 0 JIAARN COc1cccc(-n2c(SCC(=O)Nc3nnc(C)s3)nnc2-c2c[nH]c3ccccc32)c1 ZINC000009611030 555442287 /nfs/dbraw/zinc/44/22/87/555442287.db2.gz QXKDOYRSZTXSFB-UHFFFAOYSA-N 0 0 477.575 4.315 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000009611378 555443068 /nfs/dbraw/zinc/44/30/68/555443068.db2.gz VYEOLUIXLURWQC-HSZRJFAPSA-N 0 0 498.004 4.061 50 0 JIAARN Cn1cccc1Cc1nnc(SCC(=O)NCc2ccccc2Cl)n1-c1ccccc1 ZINC000009611571 555443664 /nfs/dbraw/zinc/44/36/64/555443664.db2.gz CUXPHMLLXLJTDY-UHFFFAOYSA-N 0 0 451.983 4.259 50 0 JIAARN NC(=O)c1c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)sc2c1CCCC2 ZINC000009714842 555445300 /nfs/dbraw/zinc/44/53/00/555445300.db2.gz CJOKODLZGVVXQN-UHFFFAOYSA-N 0 0 490.006 4.432 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nc4cc5c(cc4s3)OCO5)c2)cc1 ZINC000009714882 555445413 /nfs/dbraw/zinc/44/54/13/555445413.db2.gz QOYFXXYXIMVXMT-UHFFFAOYSA-N 0 0 483.527 4.087 50 0 JIAARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)sc2c1 ZINC000009714928 555445634 /nfs/dbraw/zinc/44/56/34/555445634.db2.gz CKUUIIMKFMNUJZ-UHFFFAOYSA-N 0 0 484.534 4.447 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)cc2)cc1 ZINC000009715000 555446103 /nfs/dbraw/zinc/44/61/03/555446103.db2.gz OZHSBUFZFNKTBI-UHFFFAOYSA-N 0 0 499.614 4.178 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)Cc1sc(CC(=O)Nc2ccc(C)cc2)nc1O ZINC000009612920 555447209 /nfs/dbraw/zinc/44/72/09/555447209.db2.gz SYKOQJCDOYHHSZ-GOSISDBHSA-N 0 0 459.955 4.363 50 0 JIAARN O=C1c2ccccc2C(=O)N1CCSc1nnc(COc2ccc(Cl)cc2Cl)o1 ZINC000009614804 555451776 /nfs/dbraw/zinc/45/17/76/555451776.db2.gz PVPRFXOTCOWPNP-UHFFFAOYSA-N 0 0 450.303 4.344 50 0 JIAARN O=C(CCCn1c(=O)c2ccccc2n(Cc2ccccc2Cl)c1=O)NCc1ccc(F)cc1 ZINC000009616189 555453346 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CCN(CCNC(=O)CN1c2ccccc2O/C(=C\c2ccc(OC)cc2)C1=O)c1ccccc1 ZINC000020180629 555687025 /nfs/dbraw/zinc/68/70/25/555687025.db2.gz WOOIPYFMGPNULJ-XHPQRKPJSA-N 0 0 471.557 4.104 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)cc1 ZINC000014109413 555689890 /nfs/dbraw/zinc/68/98/90/555689890.db2.gz JEVFJBOPGZLWPD-GAJHUEQPSA-N 0 0 459.612 4.237 50 0 JIAARN Cc1c(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3F)c2)c(=O)n(-c2ccccc2)n1C ZINC000014109554 555690118 /nfs/dbraw/zinc/69/01/18/555690118.db2.gz NGUXGDUXTRPTHW-UHFFFAOYSA-N 0 0 462.456 4.267 50 0 JIAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc(Cc3cccs3)n1C1CC1)CCCC2 ZINC000014112027 555690997 /nfs/dbraw/zinc/69/09/97/555690997.db2.gz OLXBGVPWQHMRPB-UHFFFAOYSA-N 0 0 473.649 4.035 50 0 JIAARN Cc1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)cc1 ZINC000010337406 555691770 /nfs/dbraw/zinc/69/17/70/555691770.db2.gz RRNIMHWDMNDBFM-UHFFFAOYSA-N 0 0 459.568 4.297 50 0 JIAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc5c(c4)CCN5S(C)(=O)=O)o3)cc2C1 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SBFBGBYMVPSMRV-HNNXBMFYSA-N 0 0 466.588 4.022 50 0 JIAARN Cc1sc2nc(CN3CCCC3)nc(N3CCN(Cc4ccc5c(c4)CCO5)CC3)c2c1C ZINC000014124037 555695602 /nfs/dbraw/zinc/69/56/02/555695602.db2.gz UUBNTEWQMZPIAF-UHFFFAOYSA-N 0 0 463.651 4.161 50 0 JIAARN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=S)N[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000010359277 555696401 /nfs/dbraw/zinc/69/64/01/555696401.db2.gz ACBJCCIPALOMGO-GOSISDBHSA-N 0 0 466.918 4.085 50 0 JIAARN COc1ccc(N(Cc2cccs2)C(=O)CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 ZINC000014129750 555699728 /nfs/dbraw/zinc/69/97/28/555699728.db2.gz RUCSEMLDSVSNBK-UHFFFAOYSA-N 0 0 479.650 4.334 50 0 JIAARN O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000010427461 555707259 /nfs/dbraw/zinc/70/72/59/555707259.db2.gz BJZTVQWQUZXZRL-UHFFFAOYSA-N 0 0 466.950 4.372 50 0 JIAARN Cc1ccc(NC(=O)[C@H](C)Sc2ccc3ccccc3c2)cc1S(=O)(=O)N1CCOCC1 ZINC000010439952 555710554 /nfs/dbraw/zinc/71/05/54/555710554.db2.gz VJQRKLSWGRUSIN-SFHVURJKSA-N 0 0 470.616 4.288 50 0 JIAARN CCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 ZINC000020215051 555711249 /nfs/dbraw/zinc/71/12/49/555711249.db2.gz MSGYXAQADLJWFW-UHFFFAOYSA-N 0 0 491.636 4.035 50 0 JIAARN COCCNc1nc2cc(Cl)ccc2n(CCNc2ncc(C(F)(F)F)cc2Cl)c1=O ZINC000020218964 555713014 /nfs/dbraw/zinc/71/30/14/555713014.db2.gz PFXBGOQKFDELOX-UHFFFAOYSA-N 0 0 476.286 4.288 50 0 JIAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000014159686 555715794 /nfs/dbraw/zinc/71/57/94/555715794.db2.gz NRBSFXNXYMWRLW-QFIPXVFZSA-N 0 0 482.537 4.262 50 0 JIAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCN(c2ccc(O)cc2)CC1 ZINC000020220744 555717437 /nfs/dbraw/zinc/71/74/37/555717437.db2.gz XMGYHJAEYAKLMW-UHFFFAOYSA-N 0 0 453.589 4.426 50 0 JIAARN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccc(Br)c3)cc2)CC1=O ZINC000010461952 555717950 /nfs/dbraw/zinc/71/79/50/555717950.db2.gz WRLJIMRGFBVSAF-INIZCTEOSA-N 0 0 458.356 4.289 50 0 JIAARN COc1cc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000014167619 555719627 /nfs/dbraw/zinc/71/96/27/555719627.db2.gz YSGMQJIHRBZNQD-IBGZPJMESA-N 0 0 487.556 4.110 50 0 JIAARN O=C(CSc1nnc(NC[C@H]2CCCO2)s1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014169781 555721537 /nfs/dbraw/zinc/72/15/37/555721537.db2.gz IEDLZBOQULZNMH-HUUCEWRRSA-N 0 0 475.665 4.237 50 0 JIAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000014170782 555722225 /nfs/dbraw/zinc/72/22/25/555722225.db2.gz CKHFBDLYVXNIOI-UHFFFAOYSA-N 0 0 493.566 4.270 50 0 JIAARN COc1cccc(NC(=O)[C@H](NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2)c1 ZINC000014184978 555726449 /nfs/dbraw/zinc/72/64/49/555726449.db2.gz RRTGTTFXQLBSOV-AREMUKBSSA-N 0 0 493.629 4.339 50 0 JIAARN COc1ccccc1CNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000014185973 555727219 /nfs/dbraw/zinc/72/72/19/555727219.db2.gz PMAFRWCGKVUILM-UHFFFAOYSA-N 0 0 472.994 4.477 50 0 JIAARN O=C(Nc1nc(CN2CCCCC2)cs1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000014189992 555728345 /nfs/dbraw/zinc/72/83/45/555728345.db2.gz PGICFSYOFPNTKR-UHFFFAOYSA-N 0 0 482.631 4.133 50 0 JIAARN NC(=O)CCCCCn1c(SCC(=O)c2ccc(Br)s2)nc2ccccc2c1=O ZINC000010606229 555728616 /nfs/dbraw/zinc/72/86/16/555728616.db2.gz ZUXSWEJFNARCCA-UHFFFAOYSA-N 0 0 494.436 4.241 50 0 JIAARN COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)CS(=O)(=O)Cc3ccccc3)nc21 ZINC000010619849 555729180 /nfs/dbraw/zinc/72/91/80/555729180.db2.gz BTWOXDKWPNQRNA-UHFFFAOYSA-N 0 0 481.599 4.157 50 0 JIAARN CCCn1c2ccccc2n(CCC(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1=O ZINC000010661528 555731030 /nfs/dbraw/zinc/73/10/30/555731030.db2.gz GQTSEFCGUILPTQ-UHFFFAOYSA-N 0 0 491.617 4.202 50 0 JIAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000014200436 555732028 /nfs/dbraw/zinc/73/20/28/555732028.db2.gz NPGXDIUAVIOGGI-UHFFFAOYSA-N 0 0 492.482 4.203 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(OC)c(Br)c2)ccc1Cl ZINC000014227758 555735467 /nfs/dbraw/zinc/73/54/67/555735467.db2.gz PWPQHJGZURUNRN-UHFFFAOYSA-N 0 0 475.792 4.394 50 0 JIAARN O=C(c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1)N1CCN(c2ccccc2)CC1 ZINC000020240628 555735817 /nfs/dbraw/zinc/73/58/17/555735817.db2.gz DZOPVROYKLLESJ-UHFFFAOYSA-N 0 0 478.492 4.235 50 0 JIAARN Cc1nc2ccc(NC(=O)c3ccc(NC(=O)Cc4sc(N5CCCC5)nc4O)cc3)cc2s1 ZINC000014228858 555736290 /nfs/dbraw/zinc/73/62/90/555736290.db2.gz WOLZJLJCAWQBHI-HXUWFJFHSA-N 0 0 493.614 4.279 50 0 JIAARN Cc1oc(-c2cccs2)nc1COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C ZINC000010721139 555736335 /nfs/dbraw/zinc/73/63/35/555736335.db2.gz JXAZPTGMYZTBCM-XMMPIXPASA-N 0 0 465.531 4.142 50 0 JIAARN COc1ccc([C@H](NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c2nccn2C)cc1 ZINC000010750256 555737998 /nfs/dbraw/zinc/73/79/98/555737998.db2.gz MDJZHJGCXFDJHA-SFHVURJKSA-N 0 0 454.379 4.420 50 0 JIAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCCSC3CCCCC3)c(C)o2)c1 ZINC000020242018 555738320 /nfs/dbraw/zinc/73/83/20/555738320.db2.gz HEZDWSAQIPBNEF-UHFFFAOYSA-N 0 0 480.652 4.146 50 0 JIAARN CCOc1ccccc1N1C(=O)C(=O)N(CN2CCc3sccc3[C@H]2c2ccccc2)C1=O ZINC000014234202 555738513 /nfs/dbraw/zinc/73/85/13/555738513.db2.gz HDCCZWNPOBWPLO-JOCHJYFZSA-N 0 0 461.543 4.047 50 0 JIAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000014237886 555740142 /nfs/dbraw/zinc/74/01/42/555740142.db2.gz XHBBYPGOHSBEHQ-KRWDZBQOSA-N 0 0 480.615 4.141 50 0 JIAARN COc1ccc(N(Cc2cccs2)C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000014238973 555740438 /nfs/dbraw/zinc/74/04/38/555740438.db2.gz KNQBTVIOVTVLQU-UHFFFAOYSA-N 0 0 456.589 4.388 50 0 JIAARN O=C(CCNC(=O)c1ccc(Cl)cc1)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 ZINC000010822312 555742432 /nfs/dbraw/zinc/74/24/32/555742432.db2.gz FUURJGYCUBJGPR-UHFFFAOYSA-N 0 0 454.954 4.085 50 0 JIAARN O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)N(Cc1ccco1)Cc1ccccc1 ZINC000010839006 555742804 /nfs/dbraw/zinc/74/28/04/555742804.db2.gz AODHOKITNRGYMM-UHFFFAOYSA-N 0 0 485.631 4.170 50 0 JIAARN O=C(CSc1nnnn1CCc1cccs1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000010858608 555743975 /nfs/dbraw/zinc/74/39/75/555743975.db2.gz PSJAGTWHPHFLKK-UHFFFAOYSA-N 0 0 459.984 4.299 50 0 JIAARN COc1ccc(CN2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1OC ZINC000020259088 555744771 /nfs/dbraw/zinc/74/47/71/555744771.db2.gz FIAPEIUWKAFKBA-NRFANRHFSA-N 0 0 477.492 4.209 50 0 JIAARN O=C(N[C@H]1CCSc2ccc(Cl)cc21)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000014242824 555744833 /nfs/dbraw/zinc/74/48/33/555744833.db2.gz FBAGHPUZCZWMKJ-INIZCTEOSA-N 0 0 457.042 4.156 50 0 JIAARN C[C@@H](NC(=O)COc1c(I)cc(Cl)c2cccnc21)c1ccco1 ZINC000014242730 555744849 /nfs/dbraw/zinc/74/48/49/555744849.db2.gz XXCUEZIVOMJWQX-SNVBAGLBSA-N 0 0 456.667 4.342 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3csc(-c4ccccc4)n3)CC2)c(C)c1 ZINC000010893632 555745755 /nfs/dbraw/zinc/74/57/55/555745755.db2.gz WWACONXVXRKQKG-UHFFFAOYSA-N 0 0 469.632 4.144 50 0 JIAARN O=C(CCC(=O)c1ccc(Cl)s1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000014246482 555749429 /nfs/dbraw/zinc/74/94/29/555749429.db2.gz OFXGDIQXFUODLD-UHFFFAOYSA-N 0 0 452.941 4.075 50 0 JIAARN Cc1noc(C)c1COc1cccc(C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c1 ZINC000014246465 555749445 /nfs/dbraw/zinc/74/94/45/555749445.db2.gz UPYFERAESGXOTL-RUZDIDTESA-N 0 0 475.545 4.291 50 0 JIAARN O=C(c1nn(-c2ccccc2)c(=O)c2ccccc21)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000010975484 555750705 /nfs/dbraw/zinc/75/07/05/555750705.db2.gz RQICNBXAEOJHJX-UHFFFAOYSA-N 0 0 472.976 4.387 50 0 JIAARN Cc1ccc(-c2noc([C@H](C)N3CCN(c4cnn(-c5ccccc5)c(=O)c4Cl)CC3)n2)cc1F ZINC000014247563 555751266 /nfs/dbraw/zinc/75/12/66/555751266.db2.gz SYTGOYGPPWCDBR-KRWDZBQOSA-N 0 0 494.958 4.267 50 0 JIAARN CC(=O)c1ccc(N2CCN(C(=O)COc3ccc4oc5c(c4c3)CCCC5)CC2)c(F)c1 ZINC000011006321 555752503 /nfs/dbraw/zinc/75/25/03/555752503.db2.gz YQVICPXKCBUJDX-UHFFFAOYSA-N 0 0 450.510 4.381 50 0 JIAARN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000014249680 555752863 /nfs/dbraw/zinc/75/28/63/555752863.db2.gz ACSWFFURSPCJCR-UHFFFAOYSA-N 0 0 481.543 4.143 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000011025977 555754580 /nfs/dbraw/zinc/75/45/80/555754580.db2.gz YXRQZWPFCNVMIQ-UHFFFAOYSA-N 0 0 476.480 4.085 50 0 JIAARN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCCc2ccccc21 ZINC000014253533 555755262 /nfs/dbraw/zinc/75/52/62/555755262.db2.gz FZKIAPMWUHJQNT-FHXLAVRWSA-N 0 0 464.606 4.105 50 0 JIAARN CCN(CC(=O)Nc1ccc(OC)cc1)Cn1nc(-c2cc(Cl)ccc2OC)[nH]c1=S ZINC000014253928 555755565 /nfs/dbraw/zinc/75/55/65/555755565.db2.gz KKNAUSXAFZSKLS-UHFFFAOYSA-N 0 0 461.975 4.196 50 0 JIAARN Cc1ccc(Nc2nn(CN(CC(C)C)[C@H]3CCS(=O)(=O)C3)c(=S)s2)cc1Cl ZINC000014264276 555757345 /nfs/dbraw/zinc/75/73/45/555757345.db2.gz RKPQPTYHGGMQRF-HNNXBMFYSA-N 0 0 461.078 4.482 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000011073056 555757582 /nfs/dbraw/zinc/75/75/82/555757582.db2.gz LKZSWISKKBKFOP-RUZDIDTESA-N 0 0 465.619 4.485 50 0 JIAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000011088150 555758796 /nfs/dbraw/zinc/75/87/96/555758796.db2.gz CLLUZBCBUYNVRF-KRWDZBQOSA-N 0 0 474.517 4.009 50 0 JIAARN Cc1c(Cl)ccc2c(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc(-c3ccccn3)nc12 ZINC000020295466 555763576 /nfs/dbraw/zinc/76/35/76/555763576.db2.gz OOKVNVGSGVCMNZ-UHFFFAOYSA-N 0 0 460.921 4.450 50 0 JIAARN CCCNC(=O)[C@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C ZINC000011149697 555763646 /nfs/dbraw/zinc/76/36/46/555763646.db2.gz YXICGJVNLIEUFP-ZDUSSCGKSA-N 0 0 472.442 4.031 50 0 JIAARN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(C(C)(C)C)cc2)N(CCCN2CCOCC2)C1=O ZINC000020308378 555764539 /nfs/dbraw/zinc/76/45/39/555764539.db2.gz CFIOJHRZJVSYTO-RUZDIDTESA-N 0 0 490.600 4.367 50 0 JIAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCOCC1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000011174599 555764897 /nfs/dbraw/zinc/76/48/97/555764897.db2.gz HWHFKJRZBNHKFC-UHFFFAOYSA-N 0 0 499.552 4.467 50 0 JIAARN CCOc1ccc(CCC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 ZINC000011197518 555765973 /nfs/dbraw/zinc/76/59/73/555765973.db2.gz UABLFUQNADHRHO-UHFFFAOYSA-N 0 0 470.635 4.355 50 0 JIAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(-c4cn5ccccc5n4)cc3)c2)C[C@H](C)O1 ZINC000011197833 555766479 /nfs/dbraw/zinc/76/64/79/555766479.db2.gz FYVRVCPLABWVJD-OALUTQOASA-N 0 0 490.585 4.052 50 0 JIAARN Cc1ccc(-c2nnc(SCCS(=O)(=O)c3ccc(Br)cc3)n2C)cc1 ZINC000011288873 555771320 /nfs/dbraw/zinc/77/13/20/555771320.db2.gz UVIQZTYQZKLEPU-UHFFFAOYSA-N 0 0 452.399 4.119 50 0 JIAARN COc1ccc(CCN2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2CC(=O)Nc2ccccc2)cc1OC ZINC000020324157 555772299 /nfs/dbraw/zinc/77/22/99/555772299.db2.gz VUXBPRRJJOUKRU-HSZRJFAPSA-N 0 0 487.556 4.421 50 0 JIAARN CCOC(=O)CSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1C1CCCCC1 ZINC000020330412 555775590 /nfs/dbraw/zinc/77/55/90/555775590.db2.gz UPJPHIBBBCNGIS-UHFFFAOYSA-N 0 0 460.644 4.271 50 0 JIAARN COc1cc(CCC(=O)OCC(=O)Nc2ccc(Br)cc2Cl)cc(OC)c1 ZINC000011386668 555776710 /nfs/dbraw/zinc/77/67/10/555776710.db2.gz OBVJBOAIDAZXFF-UHFFFAOYSA-N 0 0 456.720 4.234 50 0 JIAARN C[C@@H]1CCc2c(sc3nc(SCC(=O)N4CCO[C@H](C)C4)n(C4CCCC4)c(=O)c32)C1 ZINC000011394086 555777059 /nfs/dbraw/zinc/77/70/59/555777059.db2.gz DVZDZRQPZNJJSY-HUUCEWRRSA-N 0 0 461.653 4.037 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 ZINC000011417420 555779078 /nfs/dbraw/zinc/77/90/78/555779078.db2.gz HZKOJIWGAUFNMZ-FQEVSTJZSA-N 0 0 478.014 4.107 50 0 JIAARN CC(=O)Nc1ccc(C(=O)CSc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2Cc2ccco2)cc1 ZINC000011427183 555779614 /nfs/dbraw/zinc/77/96/14/555779614.db2.gz BBPMHKUIJIGVBZ-IAGOWNOFSA-N 0 0 467.595 4.335 50 0 JIAARN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000011452702 555782060 /nfs/dbraw/zinc/78/20/60/555782060.db2.gz GJAJRTDYZSAKSV-GOSISDBHSA-N 0 0 478.549 4.325 50 0 JIAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)CSc3ccc(NC(C)=O)cc3)n2)cc1 ZINC000011453931 555782130 /nfs/dbraw/zinc/78/21/30/555782130.db2.gz METYDKZPKKPBNR-UHFFFAOYSA-N 0 0 468.604 4.178 50 0 JIAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccc(COCC(F)(F)F)cc1 ZINC000011483285 555783843 /nfs/dbraw/zinc/78/38/43/555783843.db2.gz OIXTUFWRPPSWIU-UHFFFAOYSA-N 0 0 498.567 4.189 50 0 JIAARN COC(=O)c1ccccc1NC(=O)C[C@H]1C(=O)N(Cc2ccccc2)[C@@H](C)c2nc3ccccc3n21 ZINC000020355585 555783912 /nfs/dbraw/zinc/78/39/12/555783912.db2.gz YBTYIKRMHWGSMB-UUOWRZLLSA-N 0 0 482.540 4.496 50 0 JIAARN CC[C@H](C)N(C(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c21)[C@@H]1CCS(=O)(=O)C1 ZINC000011495503 555784112 /nfs/dbraw/zinc/78/41/12/555784112.db2.gz RFAUYYMRCMOPKP-WMLDXEAASA-N 0 0 493.651 4.404 50 0 JIAARN CC[C@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2)c(O)n1)C(=O)Nc1cc(C)ccc1OC ZINC000020355856 555784742 /nfs/dbraw/zinc/78/47/42/555784742.db2.gz DPYNGLNDPNFUAB-IBGZPJMESA-N 0 0 487.603 4.150 50 0 JIAARN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000011617394 555792585 /nfs/dbraw/zinc/79/25/85/555792585.db2.gz RXPJJLZAHQREID-UHFFFAOYSA-N 0 0 486.663 4.433 50 0 JIAARN COc1ccc(-c2csc3ncn(C[C@@H](O)COc4ccc(Br)cc4)c(=O)c23)cc1 ZINC000014303771 555794082 /nfs/dbraw/zinc/79/40/82/555794082.db2.gz RICSPXMDODQKIV-MRXNPFEDSA-N 0 0 487.375 4.336 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000014329259 555795025 /nfs/dbraw/zinc/79/50/25/555795025.db2.gz ALNYFDZTDYEFPO-INIZCTEOSA-N 0 0 472.969 4.350 50 0 JIAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)C2)c1 ZINC000020529950 555795838 /nfs/dbraw/zinc/79/58/38/555795838.db2.gz OSMUKAKTCQDGRC-TZIWHRDSSA-N 0 0 495.645 4.030 50 0 JIAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)ccc1OC(F)(F)[C@H](F)C(F)(F)F ZINC000011667043 555797519 /nfs/dbraw/zinc/79/75/19/555797519.db2.gz BLUVZMJOEROUSZ-NVXWUHKLSA-N 0 0 484.393 4.394 50 0 JIAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)ccc1OC(F)(F)[C@@H](F)C(F)(F)F ZINC000011667040 555797588 /nfs/dbraw/zinc/79/75/88/555797588.db2.gz BLUVZMJOEROUSZ-WBVHZDCISA-N 0 0 484.393 4.394 50 0 JIAARN CCCn1c(-c2ccc(-c3ccc(C(=O)OCC)cc3)o2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000014358566 555797639 /nfs/dbraw/zinc/79/76/39/555797639.db2.gz QUQIDALRERNKRJ-UHFFFAOYSA-N 0 0 498.539 4.448 50 0 JIAARN Nc1c(-c2nc(-c3ccc(Br)cc3)no2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000011691835 555800622 /nfs/dbraw/zinc/80/06/22/555800622.db2.gz FFRRGYVTRQQRJM-UHFFFAOYSA-N 0 0 451.206 4.348 50 0 JIAARN Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1Br ZINC000020532655 555803310 /nfs/dbraw/zinc/80/33/10/555803310.db2.gz XRHXDIWGDWUUGX-UHFFFAOYSA-N 0 0 490.423 4.377 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c12 ZINC000011696220 555803886 /nfs/dbraw/zinc/80/38/86/555803886.db2.gz AKJXTRFDYHQFRR-YXJHDRRASA-N 0 0 472.636 4.136 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)N[C@H]3CCCC[C@H]3C)c12 ZINC000011696217 555803927 /nfs/dbraw/zinc/80/39/27/555803927.db2.gz AKJXTRFDYHQFRR-KYJSFNMBSA-N 0 0 472.636 4.136 50 0 JIAARN O=S(=O)(c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1)N1CCCc2ccccc21 ZINC000020533686 555805298 /nfs/dbraw/zinc/80/52/98/555805298.db2.gz AIMHJSLUBABNJW-UHFFFAOYSA-N 0 0 467.572 4.366 50 0 JIAARN O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1cccc(Br)c1 ZINC000020533824 555805502 /nfs/dbraw/zinc/80/55/02/555805502.db2.gz WRXSDVDBUYBUBI-UHFFFAOYSA-N 0 0 468.351 4.029 50 0 JIAARN CCn1c2ccccc2s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000011726416 555806477 /nfs/dbraw/zinc/80/64/77/555806477.db2.gz CWHJZOYEXHNKTK-OCEACIFDSA-N 0 0 477.611 4.211 50 0 JIAARN CCOc1ccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccc(Cl)cc2)cc1 ZINC000011758552 555811192 /nfs/dbraw/zinc/81/11/92/555811192.db2.gz HVTNBSWVCIRQCB-UHFFFAOYSA-N 0 0 454.943 4.053 50 0 JIAARN COc1ccc([C@@H](CC(=O)Nc2ccc3c(c2)OCO3)N2Cc3ccccc3C2=O)cc1OC ZINC000020561229 555811923 /nfs/dbraw/zinc/81/19/23/555811923.db2.gz NLSTYXVTYBOZGH-HXUWFJFHSA-N 0 0 460.486 4.158 50 0 JIAARN Cc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(Br)c1 ZINC000011775376 555812359 /nfs/dbraw/zinc/81/23/59/555812359.db2.gz IZJFDBWHSOKTHF-UHFFFAOYSA-N 0 0 483.292 4.069 50 0 JIAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 ZINC000011779819 555812380 /nfs/dbraw/zinc/81/23/80/555812380.db2.gz QDKASPVFVSHDJF-SFHVURJKSA-N 0 0 451.596 4.226 50 0 JIAARN Cc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(C(=O)CCc1c[nH]c3ccccc13)C2 ZINC000011782254 555812505 /nfs/dbraw/zinc/81/25/05/555812505.db2.gz MXZTZPYARCFFGL-UHFFFAOYSA-N 0 0 472.614 4.309 50 0 JIAARN C[C@H](NC(=O)CCn1ccc2cc(S(=O)(=O)N3CCC(C)CC3)ccc21)c1ccccc1 ZINC000020562758 555814193 /nfs/dbraw/zinc/81/41/93/555814193.db2.gz GRULQAQVSVYXBQ-FQEVSTJZSA-N 0 0 453.608 4.329 50 0 JIAARN COc1ccccc1OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000014472441 555814444 /nfs/dbraw/zinc/81/44/44/555814444.db2.gz HIJQUPBXPNXOGA-UHFFFAOYSA-N 0 0 453.516 4.065 50 0 JIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCC(C(=O)NCc3ccccc3)CC1)nnc2C ZINC000020564254 555817465 /nfs/dbraw/zinc/81/74/65/555817465.db2.gz MNDRABQTUUKUQV-UHFFFAOYSA-N 0 0 454.578 4.274 50 0 JIAARN CCn1c2ncc(NC[C@H](C)c3ccccc3)cc2c(NC(=O)[C@H]2CCOC2)c1C(=O)OC ZINC000014531389 555818658 /nfs/dbraw/zinc/81/86/58/555818658.db2.gz PTRSJMQTFRMUEI-WMZOPIPTSA-N 0 0 450.539 4.033 50 0 JIAARN COc1cccc(-n2c(CNC(=O)[C@@H]3CCCO3)nnc2SCc2cccc(C(F)(F)F)c2)c1 ZINC000011785943 555818684 /nfs/dbraw/zinc/81/86/84/555818684.db2.gz AXESHXXVVIQJBS-IBGZPJMESA-N 0 0 492.523 4.382 50 0 JIAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC[C@@H](C(=O)NCc3ccc(C)cc3)C1)nnc2C ZINC000020564808 555818862 /nfs/dbraw/zinc/81/88/62/555818862.db2.gz UVASHMRWOIQIMR-JOCHJYFZSA-N 0 0 454.578 4.274 50 0 JIAARN O=C(Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1)N1CCN(c2ccccc2F)CC1 ZINC000020565288 555819923 /nfs/dbraw/zinc/81/99/23/555819923.db2.gz MSOODSWWSBMKCY-UHFFFAOYSA-N 0 0 491.592 4.256 50 0 JIAARN C[C@@H](NC(=O)Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1)c1ccc2c(c1)OCCO2 ZINC000020565274 555819928 /nfs/dbraw/zinc/81/99/28/555819928.db2.gz YSVFAEJJLIEGFN-QGZVFWFLSA-N 0 0 490.585 4.417 50 0 JIAARN COc1ccc(-n2c(CNC(=O)[C@@H](Cc3ccc(O)cc3)c3ccccc3)nnc2SC)cc1 ZINC000011786706 555820321 /nfs/dbraw/zinc/82/03/21/555820321.db2.gz PHSBHAOTNPPOPF-QHCPKHFHSA-N 0 0 474.586 4.346 50 0 JIAARN COCC(=O)Nc1cc2nc(-c3ccncc3)n(C)c2c(C(=O)N(C)[C@@H](C)c2cccs2)c1 ZINC000011787396 555821326 /nfs/dbraw/zinc/82/13/26/555821326.db2.gz NIGAYKKAVNSPAX-HNNXBMFYSA-N 0 0 463.563 4.115 50 0 JIAARN CCCc1c(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c(=O)cc(C)n1Cc1ccc2c(c1)OCO2 ZINC000011789347 555824150 /nfs/dbraw/zinc/82/41/50/555824150.db2.gz VYEDXHAKMKHTOU-QGZVFWFLSA-N 0 0 472.545 4.254 50 0 JIAARN CS(=O)(=O)Nc1cc2ncn(CCc3ccccc3)c2c(C(=O)NCCC2=CCCCC2)c1 ZINC000011789876 555825393 /nfs/dbraw/zinc/82/53/93/555825393.db2.gz IKOCUOWTQLRHEE-UHFFFAOYSA-N 0 0 466.607 4.271 50 0 JIAARN Cc1ccc(NC(=O)CN2c3ccccc3[C@]3(SCC(=O)N3c3ccccc3)C2=O)cc1C ZINC000020573839 555825620 /nfs/dbraw/zinc/82/56/20/555825620.db2.gz QIQNYSJXAYGBLW-SANMLTNESA-N 0 0 457.555 4.222 50 0 JIAARN COc1ccccc1N1CCN(c2nc(CNC(=O)c3cccc(F)c3)nc3ccccc32)CC1 ZINC000011790731 555826918 /nfs/dbraw/zinc/82/69/18/555826918.db2.gz HTARSALXSHMSNG-UHFFFAOYSA-N 0 0 471.536 4.034 50 0 JIAARN Cc1occc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)[C@H](C)Oc1cccc(Cl)c1)C2 ZINC000011790651 555826932 /nfs/dbraw/zinc/82/69/32/555826932.db2.gz BTBATPNALSIUBS-KRWDZBQOSA-N 0 0 467.953 4.227 50 0 JIAARN COc1ccc(NC(=O)CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(C)c(C)c3)C2=O)cc1 ZINC000020574154 555827866 /nfs/dbraw/zinc/82/78/66/555827866.db2.gz XXHTYNPVUNFEGQ-MHZLTWQESA-N 0 0 487.581 4.230 50 0 JIAARN COc1cccc(NC(=O)CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccc(C)c(C)c3)C2=O)c1 ZINC000020574267 555828766 /nfs/dbraw/zinc/82/87/66/555828766.db2.gz QXNMEMDVRJAUDN-HHHXNRCGSA-N 0 0 487.581 4.230 50 0 JIAARN C[C@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000020574806 555829832 /nfs/dbraw/zinc/82/98/32/555829832.db2.gz WDZLRQWANGNHQP-NEPJUHHUSA-N 0 0 488.509 4.066 50 0 JIAARN Cc1cc(=O)c(C(=O)N[C@H](C)c2nccs2)c(CCc2ccccc2)n1Cc1ccccn1 ZINC000011840311 555833151 /nfs/dbraw/zinc/83/31/51/555833151.db2.gz QRXBMTSODDNMIB-LJQANCHMSA-N 0 0 458.587 4.333 50 0 JIAARN COc1cccc(CN2CCc3c(c(C(=O)NCc4ccccn4)nn3CCc3ccccc3)C2)c1 ZINC000014542724 555833692 /nfs/dbraw/zinc/83/36/92/555833692.db2.gz ROTCYZUMJZEHIM-UHFFFAOYSA-N 0 0 481.600 4.018 50 0 JIAARN CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc2nc(C3CCC3)n(C)c2c(NC(=O)[C@@H]2CCCO2)c1 ZINC000011841256 555833816 /nfs/dbraw/zinc/83/38/16/555833816.db2.gz JUIUDZVDXRVPDR-QFIPXVFZSA-N 0 0 486.576 4.107 50 0 JIAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3c(F)ccc(F)c3F)C2)c(OC)c1 ZINC000011842193 555834884 /nfs/dbraw/zinc/83/48/84/555834884.db2.gz IZEMYNSIVQDGOW-MRXNPFEDSA-N 0 0 450.501 4.430 50 0 JIAARN CCc1nn2c(nc(CSc3ccccc3NC(=O)COc3ccc(C)cc3)cc2=O)s1 ZINC000020582882 555836042 /nfs/dbraw/zinc/83/60/42/555836042.db2.gz ZHQKCEUEFUXVKO-UHFFFAOYSA-N 0 0 466.588 4.332 50 0 JIAARN O=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCCC2)c1ccc(Br)o1 ZINC000011855997 555837450 /nfs/dbraw/zinc/83/74/50/555837450.db2.gz MGDSBGCQSKCMJA-UHFFFAOYSA-N 0 0 486.351 4.171 50 0 JIAARN COc1cccc(Cn2c(=O)c(-c3ccccc3)cc3c2CCN(C(=O)c2cncs2)C3)c1 ZINC000014751451 555839669 /nfs/dbraw/zinc/83/96/69/555839669.db2.gz ZRGZJHAUYZSLFS-UHFFFAOYSA-N 0 0 457.555 4.227 50 0 JIAARN O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000014809772 555839829 /nfs/dbraw/zinc/83/98/29/555839829.db2.gz XMEAZBIESICGJR-UHFFFAOYSA-N 0 0 470.407 4.289 50 0 JIAARN CCOc1cccc2cc(-c3cc(=O)oc4cc(OCC(=O)OC(C)C)ccc43)c(=O)oc21 ZINC000011866256 555841452 /nfs/dbraw/zinc/84/14/52/555841452.db2.gz MZRMKKLPOAFOLE-UHFFFAOYSA-N 0 0 450.443 4.296 50 0 biogenic JIAARN CCn1nccc1CN(CCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000020602181 555842832 /nfs/dbraw/zinc/84/28/32/555842832.db2.gz RYNUMQVVXVXPSC-UHFFFAOYSA-N 0 0 471.623 4.477 50 0 JIAARN CC(=O)Nc1cc(C(=O)N2CC[C@H](c3ccccc3F)C2)cc2ncn(CCc3ccccn3)c21 ZINC000014999003 555843317 /nfs/dbraw/zinc/84/33/17/555843317.db2.gz QMRXCVSBDVNLIL-IBGZPJMESA-N 0 0 471.536 4.401 50 0 JIAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c(C)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000020603382 555844027 /nfs/dbraw/zinc/84/40/27/555844027.db2.gz IWJMNDVTDXDHEM-UHFFFAOYSA-N 0 0 474.487 4.349 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)C(=O)NCCc1csc2nc(-c3ccccc3C)nn12 ZINC000020604307 555845195 /nfs/dbraw/zinc/84/51/95/555845195.db2.gz WSPIMCCCULKUAY-UHFFFAOYSA-N 0 0 453.955 4.025 50 0 JIAARN O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)NCCc1ccccc1F)C2)c1c(F)cccc1Cl ZINC000011870208 555846346 /nfs/dbraw/zinc/84/63/46/555846346.db2.gz SGUHWBMDNWQWMJ-CYBMUJFWSA-N 0 0 489.931 4.431 50 0 JIAARN COc1ccc(-c2cc(C(=O)N[C@@H]3CCCc4ccccc43)cc(-n3cnnn3)c2)cc1OC ZINC000011871577 555847201 /nfs/dbraw/zinc/84/72/01/555847201.db2.gz BDQVLDCXKQHQEV-HSZRJFAPSA-N 0 0 455.518 4.154 50 0 JIAARN COc1ccc(C[C@@]2(CCC(=O)NCc3cccc(C(F)(F)F)c3)CCC(=O)N2)cc1OC ZINC000011881821 555850258 /nfs/dbraw/zinc/85/02/58/555850258.db2.gz VJBWVIJRTFVCKY-HSZRJFAPSA-N 0 0 464.484 4.011 50 0 JIAARN O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC12CCN(C(=O)c1cnccn1)CC2 ZINC000015005889 555850543 /nfs/dbraw/zinc/85/05/43/555850543.db2.gz JEQJDDOKPSUMLI-XMMPIXPASA-N 0 0 454.574 4.057 50 0 JIAARN COc1ccc(CCNC(=O)CC[C@@]2(Cc3cccc4ccccc43)CCC(=O)N2)c(OC)c1 ZINC000011882435 555851270 /nfs/dbraw/zinc/85/12/70/555851270.db2.gz NLWJGNUOJNCHQF-NDEPHWFRSA-N 0 0 460.574 4.187 50 0 JIAARN Cc1cccn2cc(CN3CCN(C(=O)c4cccc(-c5cccc(F)c5)c4)CCC3=O)nc12 ZINC000015006852 555851580 /nfs/dbraw/zinc/85/15/80/555851580.db2.gz RUJHGUKPOGDYQD-UHFFFAOYSA-N 0 0 456.521 4.324 50 0 JIAARN O=C(Nc1cccc(Cl)c1Cl)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000015010889 555854368 /nfs/dbraw/zinc/85/43/68/555854368.db2.gz KNPSPVZVUOTXSM-UHFFFAOYSA-N 0 0 485.389 4.194 50 0 JIAARN CCc1nc2cc(C(=O)N(C)Cc3cnc4ccccn34)cc(NC(=O)c3ccccc3OC)c2n1C ZINC000011911820 555859975 /nfs/dbraw/zinc/85/99/75/555859975.db2.gz CLWYTSSCUGOQFF-UHFFFAOYSA-N 0 0 496.571 4.317 50 0 JIAARN CCOC(=O)c1oc2ccccc2c1COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000022050343 555866364 /nfs/dbraw/zinc/86/63/64/555866364.db2.gz UXTPEHCJSNWFMQ-UHFFFAOYSA-N 0 0 453.466 4.344 50 0 JIAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccc(Cl)cc3)[C@H]3CCS(=O)(=O)C3)no2)cc1F ZINC000011917086 555868334 /nfs/dbraw/zinc/86/83/34/555868334.db2.gz YELIDODTTBGSMU-SFHVURJKSA-N 0 0 462.930 4.272 50 0 JIAARN COCc1c(C(=O)NCCc2ccc(F)cc2)cnn1-c1nccc(-c2cc(C)sc2C)n1 ZINC000015068918 555868671 /nfs/dbraw/zinc/86/86/71/555868671.db2.gz VKJLPOWAYMZNDI-UHFFFAOYSA-N 0 0 465.554 4.266 50 0 JIAARN CCCC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N1CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]31)C2 ZINC000011964393 555871083 /nfs/dbraw/zinc/87/10/83/555871083.db2.gz AEWXPRXIBZGPIM-HXCFNDETSA-N 0 0 495.645 4.306 50 0 JIAARN COc1cccc(C(=O)N2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3ccccn3)CC2)c1OC ZINC000015072908 555871693 /nfs/dbraw/zinc/87/16/93/555871693.db2.gz HWBIRFGPFRWKQW-VWLOTQADSA-N 0 0 487.600 4.335 50 0 JIAARN O=C(CC1=CCCCC1)N1CCC2(C[C@@H]2C(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000011967164 555872667 /nfs/dbraw/zinc/87/26/67/555872667.db2.gz OJDLNJAXTYBERP-XMMPIXPASA-N 0 0 450.623 4.370 50 0 JIAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCC2(C[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000011969634 555873321 /nfs/dbraw/zinc/87/33/21/555873321.db2.gz NXVDSAIAFFWECJ-AREMUKBSSA-N 0 0 480.612 4.340 50 0 JIAARN CC1CCC2(CC1)NC(=O)N(CN(C)Cc1cn(-c3ccccc3)nc1-c1ccccc1)C2=O ZINC000022095770 555873564 /nfs/dbraw/zinc/87/35/64/555873564.db2.gz QBQZELFBKFIALE-UHFFFAOYSA-N 0 0 457.578 4.429 50 0 JIAARN O=c1/c(=C2\c3ccccc3N(Cc3cccc(C(F)(F)F)c3)C2=O)sc2nc3ccccc3n12 ZINC000015083546 555873860 /nfs/dbraw/zinc/87/38/60/555873860.db2.gz MVIRANKZXGDUKB-MRCUWXFGSA-N 0 0 477.467 4.393 50 0 JIAARN CCn1c(-c2cccnc2)nc2cc(NC(=O)COC)cc(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)c21 ZINC000011972712 555874474 /nfs/dbraw/zinc/87/44/74/555874474.db2.gz SEAJEWFVSAVTGM-ICSRJNTNSA-N 0 0 475.593 4.355 50 0 JIAARN Cc1nonc1CN(C)C(=O)c1cc(NC(=O)c2ccccc2)cc2ncn(C3CCCC3)c21 ZINC000011996379 555878448 /nfs/dbraw/zinc/87/84/48/555878448.db2.gz UEMPOOJCJCMSDW-UHFFFAOYSA-N 0 0 458.522 4.367 50 0 JIAARN C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000015128075 555879202 /nfs/dbraw/zinc/87/92/02/555879202.db2.gz XZVGYZDYCNNTED-OAHLLOKOSA-N 0 0 494.491 4.097 50 0 JIAARN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCCCn3cnc4ccccc43)cc2)ccc1F ZINC000015137399 555880032 /nfs/dbraw/zinc/88/00/32/555880032.db2.gz GJMWQOCYNGQFOL-UHFFFAOYSA-N 0 0 466.538 4.105 50 0 JIAARN CCCNC(=O)CSc1nnc(S[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)s1 ZINC000022132106 555880107 /nfs/dbraw/zinc/88/01/07/555880107.db2.gz KPCJIFOZQSCPQZ-NSHDSACASA-N 0 0 451.599 4.068 50 0 JIAARN Cc1nc2scc(-c3cccs3)c2c(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1 ZINC000015143804 555880449 /nfs/dbraw/zinc/88/04/49/555880449.db2.gz DDKPBEXDDBJULH-UHFFFAOYSA-N 0 0 480.644 4.120 50 0 JIAARN COc1ccc(C[C@]2(CCC(=O)N(C)C[C@H]3Cc4ccccc4O3)CCC(=O)N2)c2ccccc12 ZINC000011998053 555880630 /nfs/dbraw/zinc/88/06/30/555880630.db2.gz QMWNSCMNHYIVAN-KPURRNSFSA-N 0 0 472.585 4.282 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000022184967 555882539 /nfs/dbraw/zinc/88/25/39/555882539.db2.gz GPNMNAMTOHSTME-UHFFFAOYSA-N 0 0 470.522 4.145 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nc3nn(-c4ccccc4)c(=O)c-3c3n2CCCCC3)cc1 ZINC000015183853 555882698 /nfs/dbraw/zinc/88/26/98/555882698.db2.gz LRRCETHKBADDNR-UHFFFAOYSA-N 0 0 489.601 4.390 50 0 JIAARN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000022196256 555883897 /nfs/dbraw/zinc/88/38/97/555883897.db2.gz FKRSMDIYMSJHSR-CQSZACIVSA-N 0 0 492.475 4.397 50 0 JIAARN Cc1ccccc1OCC(=O)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000012009262 555884110 /nfs/dbraw/zinc/88/41/10/555884110.db2.gz JMKIVOJHDJDRLB-UHFFFAOYSA-N 0 0 467.485 4.209 50 0 JIAARN O=C(COc1ccccc1F)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000012009274 555884191 /nfs/dbraw/zinc/88/41/91/555884191.db2.gz ZBUKLTHBOKAJIF-UHFFFAOYSA-N 0 0 471.448 4.452 50 0 JIAARN c1cnn(-c2ccc(CNc3nc(CN4CCOCC4)nc4scc(-c5cccs5)c43)cn2)c1 ZINC000022227444 555886183 /nfs/dbraw/zinc/88/61/83/555886183.db2.gz SJMLVXFOHUFYAC-UHFFFAOYSA-N 0 0 489.630 4.445 50 0 JIAARN CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2scc4c2CCCC4)C3)no1 ZINC000012029112 555886297 /nfs/dbraw/zinc/88/62/97/555886297.db2.gz MHAGPBYGTLDTIG-UHFFFAOYSA-N 0 0 464.591 4.009 50 0 JIAARN COc1ccc(Cl)cc1N(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000015229994 555889243 /nfs/dbraw/zinc/88/92/43/555889243.db2.gz COWJBKXLAQMPKH-UHFFFAOYSA-N 0 0 472.994 4.211 50 0 JIAARN COc1ccc(CCNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000015231057 555889539 /nfs/dbraw/zinc/88/95/39/555889539.db2.gz YPZJCPDLTYCPRO-UHFFFAOYSA-N 0 0 496.629 4.183 50 0 JIAARN O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCC[C@H](C(=O)c2cccnc2)C1 ZINC000012038751 555891531 /nfs/dbraw/zinc/89/15/31/555891531.db2.gz IKCMRIOCRYOUBQ-PWUYWRBVSA-N 0 0 469.585 4.328 50 0 JIAARN CSc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000015279981 555893418 /nfs/dbraw/zinc/89/34/18/555893418.db2.gz SEEHWAXASHFECU-HNNXBMFYSA-N 0 0 497.038 4.421 50 0 JIAARN CCC(=O)c1ccc(OC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000015304286 555894355 /nfs/dbraw/zinc/89/43/55/555894355.db2.gz PICJWUZXJYPEKM-UHFFFAOYSA-N 0 0 469.481 4.304 50 0 JIAARN CN(C(=O)c1cn(C[C@@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O)C1CCCCC1 ZINC000012042591 555894972 /nfs/dbraw/zinc/89/49/72/555894972.db2.gz VMIYOFOGMQOBDT-QFIPXVFZSA-N 0 0 471.642 4.275 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSC(c1ccccc1)c1ccccc1 ZINC000015310093 555896095 /nfs/dbraw/zinc/89/60/95/555896095.db2.gz HFKBAKUUTXVSNB-UHFFFAOYSA-N 0 0 496.654 4.477 50 0 JIAARN COc1ccccc1C(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)c3cccc(C)n3)CC2)[C@H]1OC ZINC000012054176 555897609 /nfs/dbraw/zinc/89/76/09/555897609.db2.gz SXRBFUPFTHUVRY-FTJBHMTQSA-N 0 0 485.584 4.072 50 0 JIAARN O=C(NCCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1)[C@H](c1cccnc1)N1CCCC1 ZINC000012056130 555898537 /nfs/dbraw/zinc/89/85/37/555898537.db2.gz MTPQKHXSWZFGIZ-SXOMAYOGSA-N 0 0 474.580 4.110 50 0 JIAARN COc1cc(CN(C[C@H]2CCCO2)C(=O)c2ccccc2Br)cc(OC)c1OC ZINC000012062726 555900589 /nfs/dbraw/zinc/90/05/89/555900589.db2.gz RAEHSZXLMIAKAD-MRXNPFEDSA-N 0 0 464.356 4.296 50 0 JIAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000015357052 555900594 /nfs/dbraw/zinc/90/05/94/555900594.db2.gz DTONTGOHLDSIFM-UHFFFAOYSA-N 0 0 490.887 4.127 50 0 JIAARN O=C(NCCn1ncc2c1ncn(Cc1ccccc1F)c2=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000012071619 555901569 /nfs/dbraw/zinc/90/15/69/555901569.db2.gz OQHDHYYJIAULFI-UHFFFAOYSA-N 0 0 493.970 4.062 50 0 JIAARN O=C(CSc1nn2c(nc3c(c2=O)CN(Cc2ccccc2)CC3)s1)c1ccc(Cl)cc1 ZINC000015414228 555905666 /nfs/dbraw/zinc/90/56/66/555905666.db2.gz SZFYEXCNBYZBIH-UHFFFAOYSA-N 0 0 483.018 4.338 50 0 JIAARN C[C@@H]1CCN(C(=O)CSc2nnc(N3CCCCC3)n2C[C@H]2CCCO2)c2ccccc2S1 ZINC000012108191 555908124 /nfs/dbraw/zinc/90/81/24/555908124.db2.gz QJVSMEKTDKBYDK-RTBURBONSA-N 0 0 487.695 4.457 50 0 JIAARN CCOc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)ccc1OCCC(C)C ZINC000012111598 555908391 /nfs/dbraw/zinc/90/83/91/555908391.db2.gz TXIVHNRWTMBOCZ-XMMPIXPASA-N 0 0 465.546 4.463 50 0 JIAARN COc1ccc(CCC(=O)Nc2cc(C3CC3)nn2-c2nc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000012129053 555911088 /nfs/dbraw/zinc/91/10/88/555911088.db2.gz WIESXWZTWLOCOY-UHFFFAOYSA-N 0 0 455.518 4.080 50 0 JIAARN C[C@@H](SCc1nc(N)nc(Nc2ccccc2)n1)C(=O)Nc1cccc(Br)c1 ZINC000015495188 555911411 /nfs/dbraw/zinc/91/14/11/555911411.db2.gz PEUUQFVKNMIFRY-GFCCVEGCSA-N 0 0 459.373 4.220 50 0 JIAARN Cc1ccc(NC(=O)CSCc2nc(N)nc(Nc3ccc(F)cc3)n2)c(Br)c1 ZINC000015496521 555911432 /nfs/dbraw/zinc/91/14/32/555911432.db2.gz KKBLJBQBXMPKAR-UHFFFAOYSA-N 0 0 477.363 4.279 50 0 JIAARN CCN(C(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc2ccccc2s1 ZINC000015524214 555913108 /nfs/dbraw/zinc/91/31/08/555913108.db2.gz NHGWOJMZMWKRAF-UHFFFAOYSA-N 0 0 463.529 4.275 50 0 JIAARN C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000012135924 555913335 /nfs/dbraw/zinc/91/33/35/555913335.db2.gz RKUOPNOONLRSCJ-QFIPXVFZSA-N 0 0 490.677 4.083 50 0 JIAARN COc1ccc(C[C@@]2(CCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)CCC(=O)N2)c(F)c1 ZINC000012136053 555913738 /nfs/dbraw/zinc/91/37/38/555913738.db2.gz INEKPUBHCULPAA-SANMLTNESA-N 0 0 488.003 4.116 50 0 JIAARN CN(CCCNC(=O)CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1ccccc1 ZINC000012136159 555913853 /nfs/dbraw/zinc/91/38/53/555913853.db2.gz NZZDVVDJVXKSPS-UHFFFAOYSA-N 0 0 492.693 4.047 50 0 JIAARN O=C(CSc1nc2ccccc2nc1SCC(=O)NCc1ccccc1)NCc1ccccc1 ZINC000012138897 555915581 /nfs/dbraw/zinc/91/55/81/555915581.db2.gz RRPISMXZZBBCIH-UHFFFAOYSA-N 0 0 488.638 4.447 50 0 JIAARN COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000015566007 555916118 /nfs/dbraw/zinc/91/61/18/555916118.db2.gz PLCNANJUYDONHM-HXUWFJFHSA-N 0 0 471.529 4.069 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1occc1COc1ccccc1 ZINC000022282042 555917306 /nfs/dbraw/zinc/91/73/06/555917306.db2.gz RQPVVXDZKULWTR-UHFFFAOYSA-N 0 0 454.548 4.092 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)C3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1C ZINC000015601384 555918057 /nfs/dbraw/zinc/91/80/57/555918057.db2.gz VXCTXLAUFBKQKZ-UHFFFAOYSA-N 0 0 486.634 4.319 50 0 JIAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000015641372 555921546 /nfs/dbraw/zinc/92/15/46/555921546.db2.gz QKLSAAXTLXRVKZ-UHFFFAOYSA-N 0 0 455.923 4.404 50 0 JIAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(Br)cc3)n2)cc1 ZINC000015670235 555925454 /nfs/dbraw/zinc/92/54/54/555925454.db2.gz IXUKTSJUEDTUJN-SFHVURJKSA-N 0 0 491.349 4.278 50 0 JIAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(SC)cc3)n2)cc1 ZINC000015670216 555925508 /nfs/dbraw/zinc/92/55/08/555925508.db2.gz HDCZNTSJUWVGRN-LJQANCHMSA-N 0 0 458.547 4.237 50 0 JIAARN C[C@@H]1CCN(C(=O)CSc2nc(CN3CCOCC3)nc3ccccc32)c2ccccc2S1 ZINC000022358685 555925542 /nfs/dbraw/zinc/92/55/42/555925542.db2.gz OROQZPMNNPZFRZ-GOSISDBHSA-N 0 0 480.659 4.472 50 0 JIAARN COCC(=O)Nc1cc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)cc2nc(-c3ccccc3)n(C)c21 ZINC000012152222 555926065 /nfs/dbraw/zinc/92/60/65/555926065.db2.gz QFTKOLGKUMOPRK-QFIPXVFZSA-N 0 0 497.477 4.254 50 0 JIAARN Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@@H](c1cc(F)cc(F)c1)CC(=O)N2 ZINC000015670437 555926199 /nfs/dbraw/zinc/92/61/99/555926199.db2.gz HLEFBJOJCRPYKZ-QGZVFWFLSA-N 0 0 452.852 4.438 50 0 JIAARN Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@@H](c1ccc(F)cc1F)CC(=O)N2 ZINC000015670433 555926308 /nfs/dbraw/zinc/92/63/08/555926308.db2.gz GNRVNVFDKOHNDX-MRXNPFEDSA-N 0 0 452.852 4.438 50 0 JIAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(SC)cc3)n2)c1 ZINC000015670506 555926532 /nfs/dbraw/zinc/92/65/32/555926532.db2.gz NGKRQVCFGYKEDL-LJQANCHMSA-N 0 0 458.547 4.237 50 0 JIAARN O=C(C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000012152705 555927044 /nfs/dbraw/zinc/92/70/44/555927044.db2.gz PMPCQJZYTUVNLJ-CUBQBAPOSA-N 0 0 471.532 4.171 50 0 JIAARN 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50 0 JIAARN COc1ccc(-c2nc(COC(=O)c3ccc(CN4CCCC4=O)cc3)cs2)cc1OC ZINC000023064471 556004243 /nfs/dbraw/zinc/00/42/43/556004243.db2.gz UBIWLOYSSRDGFF-UHFFFAOYSA-N 0 0 452.532 4.307 50 0 JIAARN O=C(CNc1ccc(Br)c(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)cc1 ZINC000012534256 556006377 /nfs/dbraw/zinc/00/63/77/556006377.db2.gz NWJVBQVRXDNJIJ-UHFFFAOYSA-N 0 0 458.278 4.355 50 0 JIAARN O=C(NCCCN1CCOCC1)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 ZINC000023109655 556010366 /nfs/dbraw/zinc/01/03/66/556010366.db2.gz YKCYILQGWICNTE-UHFFFAOYSA-N 0 0 464.513 4.072 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000023110617 556010532 /nfs/dbraw/zinc/01/05/32/556010532.db2.gz CJXVVXWNDAAWSD-VEDPWSRISA-N 0 0 460.640 4.011 50 0 JIAARN CN(C(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1)C(c1ccccc1)c1ccccc1 ZINC000012537731 556010971 /nfs/dbraw/zinc/01/09/71/556010971.db2.gz OWPKEKHUYPONHV-UHFFFAOYSA-N 0 0 481.643 4.206 50 0 JIAARN COc1ccccc1N(CC(=O)NCCSCc1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000015823226 556011639 /nfs/dbraw/zinc/01/16/39/556011639.db2.gz GIFWPRXWUFMOIC-UHFFFAOYSA-N 0 0 484.643 4.249 50 0 JIAARN CCNc1nn(CC(=O)Nc2ccc3c(c2)CCC3)c(N)c1-c1nc(-c2ccccc2C)no1 ZINC000023125430 556013393 /nfs/dbraw/zinc/01/33/93/556013393.db2.gz LRVGUGJNVPXWFB-UHFFFAOYSA-N 0 0 457.538 4.050 50 0 JIAARN CCN(C(=O)CN1c2ccccc2S(=O)(=O)N(c2cc(F)ccc2F)C1=O)c1ccccc1 ZINC000015827215 556014466 /nfs/dbraw/zinc/01/44/66/556014466.db2.gz VJDROXKOIHTOPO-UHFFFAOYSA-N 0 0 471.485 4.153 50 0 JIAARN Cc1ccccc1N1C(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2ccccc2S1(=O)=O ZINC000015827350 556014492 /nfs/dbraw/zinc/01/44/92/556014492.db2.gz FTKYLDNCEVASGS-UHFFFAOYSA-N 0 0 469.950 4.100 50 0 JIAARN COc1ccccc1NC(=O)N1CCC(c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000015827905 556015205 /nfs/dbraw/zinc/01/52/05/556015205.db2.gz QASSGRNEXNKONZ-UHFFFAOYSA-N 0 0 455.515 4.350 50 0 JIAARN O=C(Cn1cccc(-c2nc(-c3ccc(Br)cc3)no2)c1=O)Nc1ccc(F)cc1 ZINC000023126315 556015531 /nfs/dbraw/zinc/01/55/31/556015531.db2.gz PTZQATOFXRUCDD-UHFFFAOYSA-N 0 0 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COC(=O)c1ccc(NC(=O)CSc2nnc(C(C)C)c3cnn(-c4ccccc4OC)c32)cc1 ZINC000023137897 556020677 /nfs/dbraw/zinc/02/06/77/556020677.db2.gz GYLZVETYNAZANU-UHFFFAOYSA-N 0 0 491.573 4.465 50 0 JIAARN CCOC(=O)CSc1nn(Cc2ccccc2)c2nc3c(c(=O)n12)[C@](C)(CC)Cc1ccccc1-3 ZINC000015839548 556023077 /nfs/dbraw/zinc/02/30/77/556023077.db2.gz MEDWQYLQBVZRIB-HHHXNRCGSA-N 0 0 488.613 4.485 50 0 JIAARN CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)C1=O ZINC000015843270 556023601 /nfs/dbraw/zinc/02/36/01/556023601.db2.gz MZTREVVVAWQMDI-UHFFFAOYSA-N 0 0 450.516 4.434 50 0 JIAARN CCCCn1c(CCC(=O)Nc2ccc(C(C)=O)cc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000012547593 556024489 /nfs/dbraw/zinc/02/44/89/556024489.db2.gz AYOLNTQOUZIYGJ-UHFFFAOYSA-N 0 0 496.633 4.395 50 0 JIAARN COc1ccc([C@H]2Oc3ccccc3-n3c(-c4ccccc4C)c4c(c32)n(C)c(=O)n(C)c4=O)cc1O ZINC000015858827 556026631 /nfs/dbraw/zinc/02/66/31/556026631.db2.gz RXDLMRSPFZGQEV-HHHXNRCGSA-N 0 0 495.535 4.199 50 0 JIAARN COc1ccc([C@@H]2Oc3ccccc3-n3c(-c4ccc(C)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1O ZINC000015858926 556027542 /nfs/dbraw/zinc/02/75/42/556027542.db2.gz RGEUWHIUKBTTFQ-MHZLTWQESA-N 0 0 495.535 4.199 50 0 JIAARN Cc1ccc(-c2c3c(c4n2-c2ccccc2O[C@H]4c2ccc4c(c2)OCO4)n(C)c(=O)n(C)c3=O)cc1 ZINC000015858930 556027592 /nfs/dbraw/zinc/02/75/92/556027592.db2.gz VIFYSPQERNYTSM-MHZLTWQESA-N 0 0 493.519 4.214 50 0 JIAARN O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000012549103 556028214 /nfs/dbraw/zinc/02/82/14/556028214.db2.gz UMWSCTVUUIGQFX-OALUTQOASA-N 0 0 452.498 4.052 50 0 JIAARN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023182069 556028377 /nfs/dbraw/zinc/02/83/77/556028377.db2.gz RXFCMQJTXFBQNH-HXOBKFHXSA-N 0 0 477.602 4.257 50 0 JIAARN O=C(c1ccc(-n2cnc3ccccc32)cc1)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000012549806 556029983 /nfs/dbraw/zinc/02/99/83/556029983.db2.gz RCPMUNNPJKYALR-SANMLTNESA-N 0 0 466.541 4.446 50 0 JIAARN Cn1cc(C(=O)Nc2cc3c(cc2Br)OCCO3)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000023193385 556030154 /nfs/dbraw/zinc/03/01/54/556030154.db2.gz PJVIUGHDILPGQI-UHFFFAOYSA-N 0 0 486.322 4.034 50 0 JIAARN CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCOCC2)cc1 ZINC000015859629 556031008 /nfs/dbraw/zinc/03/10/08/556031008.db2.gz KJGBGCMHFJGNBA-HSZRJFAPSA-N 0 0 491.588 4.214 50 0 JIAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1)c1cc2ccccc2o1 ZINC000012550595 556031800 /nfs/dbraw/zinc/03/18/00/556031800.db2.gz BZLNTPKUGXPBSW-UHFFFAOYSA-N 0 0 478.526 4.498 50 0 JIAARN Cn1ccnc1[C@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccc(Cl)cc1 ZINC000012551268 556032928 /nfs/dbraw/zinc/03/29/28/556032928.db2.gz DNEKLAUTXCUGMA-OAQYLSRUSA-N 0 0 482.009 4.020 50 0 JIAARN COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Nc4ccc(OC)cc4)cc3)cc2C1=O ZINC000012551270 556032991 /nfs/dbraw/zinc/03/29/91/556032991.db2.gz HRBFRTNFBYQIAS-UHFFFAOYSA-N 0 0 459.502 4.324 50 0 JIAARN O=C([C@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccccc1)N1CCOCC1 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/nfs/dbraw/zinc/04/46/44/556044644.db2.gz PWWVGWPSSHUNSL-VWLOTQADSA-N 0 0 483.012 4.106 50 0 JIAARN C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2nccc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000023335638 556045259 /nfs/dbraw/zinc/04/52/59/556045259.db2.gz WLXVWVUCJGNMGQ-QGZVFWFLSA-N 0 0 456.468 4.279 50 0 JIAARN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=S)N[C@H]1c1ccc(O)c(OC)c1 ZINC000012557382 556045279 /nfs/dbraw/zinc/04/52/79/556045279.db2.gz UGEDZVKYOMSSHA-SFHVURJKSA-N 0 0 463.353 4.046 50 0 JIAARN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000023387529 556050986 /nfs/dbraw/zinc/05/09/86/556050986.db2.gz NHDOMRRFTCTDKM-GJZGRUSLSA-N 0 0 470.469 4.067 50 0 JIAARN Cc1cc2nc(N(Cc3cccnc3)C(=O)CS(=O)(=O)c3ccccc3)sc2cc1C ZINC000015882541 556056972 /nfs/dbraw/zinc/05/69/72/556056972.db2.gz QYRBMBKFNQFWAG-UHFFFAOYSA-N 0 0 451.573 4.315 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)c1 ZINC000012563290 556058267 /nfs/dbraw/zinc/05/82/67/556058267.db2.gz 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CCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012567403 556066252 /nfs/dbraw/zinc/06/62/52/556066252.db2.gz DNXWLSSTAUFVEH-LJQANCHMSA-N 0 0 477.615 4.246 50 0 JIAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)c1cncc(Br)c1 ZINC000015919215 556066433 /nfs/dbraw/zinc/06/64/33/556066433.db2.gz FGDNPQGECCKYLW-UHFFFAOYSA-N 0 0 483.341 4.198 50 0 JIAARN CCOc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000015919271 556066662 /nfs/dbraw/zinc/06/66/62/556066662.db2.gz QLTZJXJFROXFTE-UHFFFAOYSA-N 0 0 492.594 4.062 50 0 JIAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000012567604 556067197 /nfs/dbraw/zinc/06/71/97/556067197.db2.gz FCSPJRDKKNPKSO-UHFFFAOYSA-N 0 0 487.581 4.376 50 0 JIAARN Cc1cc(Br)ccc1SCC(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012569927 556073110 /nfs/dbraw/zinc/07/31/10/556073110.db2.gz SUZYMNZBFGVFCO-UHFFFAOYSA-N 0 0 452.414 4.478 50 0 JIAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)cc1 ZINC000023483416 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Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2)cc1 ZINC000015964210 556093526 /nfs/dbraw/zinc/09/35/26/556093526.db2.gz SRUBUAWPNVMIBO-UHFFFAOYSA-N 0 0 477.630 4.399 50 0 JIAARN CCOc1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cn(C)c2ccccc12 ZINC000015974218 556097480 /nfs/dbraw/zinc/09/74/80/556097480.db2.gz RYCATPIUCIAASG-UHFFFAOYSA-N 0 0 466.651 4.498 50 0 JIAARN CN(C(=O)CSc1nc2ccccc2c(=O)n1CCCO)C(c1ccccc1)c1ccccc1 ZINC000023891374 556099328 /nfs/dbraw/zinc/09/93/28/556099328.db2.gz NGTMLTIECAPZBJ-UHFFFAOYSA-N 0 0 473.598 4.119 50 0 JIAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000015982559 556100765 /nfs/dbraw/zinc/10/07/65/556100765.db2.gz JGOCTISFIMEPAJ-UHFFFAOYSA-N 0 0 450.535 4.436 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1OC ZINC000015999158 556104187 /nfs/dbraw/zinc/10/41/87/556104187.db2.gz OVMJXVKKJLYODX-YAOOYPAMSA-N 0 0 494.547 4.411 50 0 JIAARN 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O=C(CSc1ncccc1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1)Nc1ccc2c(c1)OCO2 ZINC000012799274 556114246 /nfs/dbraw/zinc/11/42/46/556114246.db2.gz SOYITFJDJIABRY-DLBZAZTESA-N 0 0 453.564 4.193 50 0 JIAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000016022522 556114991 /nfs/dbraw/zinc/11/49/91/556114991.db2.gz QZGKFVBLFPWNLP-UHFFFAOYSA-N 0 0 454.592 4.219 50 0 JIAARN CCOc1ccc([C@H](c2c(O)cc(C)n(CC)c2=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000024022951 556116567 /nfs/dbraw/zinc/11/65/67/556116567.db2.gz NAMFDHCJPFVFMT-AREMUKBSSA-N 0 0 465.569 4.332 50 0 JIAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(Cc4ccc(F)cc4)CC(=O)N32)cc1 ZINC000016042313 556121869 /nfs/dbraw/zinc/12/18/69/556121869.db2.gz GUESBUKSRGKTOU-SQHAQQRYSA-N 0 0 469.516 4.201 50 0 JIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(Cc4ccccc4OC)CC(=O)N32)cc1 ZINC000016042728 556122130 /nfs/dbraw/zinc/12/21/30/556122130.db2.gz VWNCNWHDAWVMDF-UFHPHHKVSA-N 0 0 481.552 4.070 50 0 JIAARN C[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000024132357 556122698 /nfs/dbraw/zinc/12/26/98/556122698.db2.gz UNLNJHVJSJEONV-IBGZPJMESA-N 0 0 463.528 4.017 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000016043467 556122789 /nfs/dbraw/zinc/12/27/89/556122789.db2.gz UANICORDKWXXSC-UHFFFAOYSA-N 0 0 485.934 4.088 50 0 JIAARN CCCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000024148030 556124426 /nfs/dbraw/zinc/12/44/26/556124426.db2.gz OLWYVNNSBYTRDY-AREMUKBSSA-N 0 0 490.600 4.466 50 0 JIAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccccc1-c1ccccc1 ZINC000016044776 556125137 /nfs/dbraw/zinc/12/51/37/556125137.db2.gz VOQKKYQKNPZMGL-UHFFFAOYSA-N 0 0 491.613 4.227 50 0 JIAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000012908359 556127385 /nfs/dbraw/zinc/12/73/85/556127385.db2.gz ZIDUCJVUAWYXFS-UHFFFAOYSA-N 0 0 476.904 4.010 50 0 JIAARN 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/nfs/dbraw/zinc/13/92/21/556139221.db2.gz DLHOUIMAKLDBHF-UHFFFAOYSA-N 0 0 457.619 4.183 50 0 JIAARN CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000012921504 556140195 /nfs/dbraw/zinc/14/01/95/556140195.db2.gz KGWLIKPBTWCNFP-UHFFFAOYSA-N 0 0 454.777 4.168 50 0 JIAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCSCc3c(F)cccc3Cl)CC2)cc1 ZINC000024609245 556140213 /nfs/dbraw/zinc/14/02/13/556140213.db2.gz RJINGOWOPSLXGQ-UHFFFAOYSA-N 0 0 499.073 4.379 50 0 JIAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)CC1 ZINC000024611597 556141195 /nfs/dbraw/zinc/14/11/95/556141195.db2.gz YGIYAXLQMZIYJF-UHFFFAOYSA-N 0 0 497.661 4.192 50 0 JIAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C=C/c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000012923480 556141914 /nfs/dbraw/zinc/14/19/14/556141914.db2.gz ACKQWDPHTDKHHJ-OUKQBFOZSA-N 0 0 456.468 4.407 50 0 JIAARN CC(C)CN(C(=O)C1CCC(C(C)(C)C)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012923467 556141916 /nfs/dbraw/zinc/14/19/16/556141916.db2.gz OWDIEGMRILXQGN-UHFFFAOYSA-N 0 0 454.615 4.009 50 0 JIAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(Br)cc2Br)no1 ZINC000012923399 556141938 /nfs/dbraw/zinc/14/19/38/556141938.db2.gz ZZYYVUQJRQHUSK-SECBINFHSA-N 0 0 477.178 4.207 50 0 JIAARN CCCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C1=C([n+]2cccc(CC)c2)C(=O)N(CC(C)C)C1=O ZINC000016571107 556143794 /nfs/dbraw/zinc/14/37/94/556143794.db2.gz YJAGKPHBXVRLPD-UHFFFAOYSA-O 0 0 494.015 4.427 50 0 JIAARN CCCc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C1=C([n+]2cc(C)cc(C)c2)C(=O)N(CC(C)C)C1=O ZINC000016571155 556143803 /nfs/dbraw/zinc/14/38/03/556143803.db2.gz PPYZEHASCHLVDX-UHFFFAOYSA-O 0 0 494.015 4.481 50 0 JIAARN CCn1c2ccccc2n(CCC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c1=O ZINC000024691535 556145746 /nfs/dbraw/zinc/14/57/46/556145746.db2.gz RTWDENNTSOKDGN-QGZVFWFLSA-N 0 0 450.564 4.035 50 0 JIAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2)C1 ZINC000012928039 556145819 /nfs/dbraw/zinc/14/58/19/556145819.db2.gz NDDBZLGTXYFJBB-IAGOWNOFSA-N 0 0 470.620 4.048 50 0 JIAARN 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ZINC000016843473 556165688 /nfs/dbraw/zinc/16/56/88/556165688.db2.gz CBQIXPRBFZQLHA-UHFFFAOYSA-N 0 0 483.297 4.414 50 0 JIAARN COc1ccc2c(C)c(CCC(=O)Nc3cccc(I)c3)c(=O)oc2c1 ZINC000012975226 556167551 /nfs/dbraw/zinc/16/75/51/556167551.db2.gz UMLXAVZLVWBCDM-UHFFFAOYSA-N 0 0 463.271 4.286 50 0 JIAARN C[C@@H](CCc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000024986025 556169725 /nfs/dbraw/zinc/16/97/25/556169725.db2.gz JKVATVMXFNTOQO-AWEZNQCLSA-N 0 0 462.921 4.117 50 0 JIAARN C[C@@H](NCC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)c1ccc(S(C)(=O)=O)cc1 ZINC000024985068 556169804 /nfs/dbraw/zinc/16/98/04/556169804.db2.gz URPVCNAFVIIMRI-VGOFRKELSA-N 0 0 491.569 4.458 50 0 JIAARN COc1ccc(OCCSc2nc3nn(-c4ccccc4)c(=O)c-3c3n2CCCCC3)cc1 ZINC000012978697 556171142 /nfs/dbraw/zinc/17/11/42/556171142.db2.gz BJNUXAZIIAWEKD-UHFFFAOYSA-N 0 0 462.575 4.440 50 0 JIAARN CC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2CCc2ccccc2)SCC3)cc1 ZINC000016890718 556171738 /nfs/dbraw/zinc/17/17/38/556171738.db2.gz 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COc1ccc(-c2cc3ncn(CC(=O)N[C@@H]4CCSc5ccccc54)c(=O)c3s2)cc1 ZINC000025050008 556174605 /nfs/dbraw/zinc/17/46/05/556174605.db2.gz VZKFNSQODIRRBD-GOSISDBHSA-N 0 0 463.584 4.487 50 0 JIAARN COc1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000016903047 556175353 /nfs/dbraw/zinc/17/53/53/556175353.db2.gz BBOVCJAFAYZIMD-IFMALSPDSA-N 0 0 471.557 4.314 50 0 JIAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3C[C@@H](O)COc3cccc(C)c3)CC2=O)cc1 ZINC000016903213 556175703 /nfs/dbraw/zinc/17/57/03/556175703.db2.gz ZRWCLBPGWHJOKF-RBBKRZOGSA-N 0 0 471.557 4.314 50 0 JIAARN Cc1cccc(OC[C@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000016903253 556175768 /nfs/dbraw/zinc/17/57/68/556175768.db2.gz MLVBQNHKCAOAMJ-DENIHFKCSA-N 0 0 459.521 4.444 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1 ZINC000016915348 556179725 /nfs/dbraw/zinc/17/97/25/556179725.db2.gz YVRONYDIPUIRIL-UHFFFAOYSA-N 0 0 464.572 4.278 50 0 JIAARN O=C(NCCCc1ccccc1)[C@@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000025108106 556179766 /nfs/dbraw/zinc/17/97/66/556179766.db2.gz TZTSDKCPVMQJDX-HSZRJFAPSA-N 0 0 456.546 4.165 50 0 JIAARN CCC(CC)c1nnc(NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)s1 ZINC000025127390 556180154 /nfs/dbraw/zinc/18/01/54/556180154.db2.gz FFIPDBHZFKMSHV-UHFFFAOYSA-N 0 0 465.373 4.219 50 0 JIAARN Cc1sc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)nc1-c1ccc(F)c(F)c1 ZINC000012986343 556180205 /nfs/dbraw/zinc/18/02/05/556180205.db2.gz BKEJNZUWHDZRQM-NSHDSACASA-N 0 0 463.531 4.360 50 0 JIAARN Cc1ccc(-c2csc3[nH]c(SCC(=O)NCc4ccc5c(c4)OCO5)nc(=O)c23)cc1C ZINC000012986832 556180818 /nfs/dbraw/zinc/18/08/18/556180818.db2.gz LKGYSMINLUEYEA-UHFFFAOYSA-N 0 0 479.583 4.406 50 0 JIAARN COc1ccc(CNC(=O)c2cccnc2N2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000025142313 556181243 /nfs/dbraw/zinc/18/12/43/556181243.db2.gz QXYIYLOUFBHXRT-UHFFFAOYSA-N 0 0 480.568 4.136 50 0 JIAARN COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1 ZINC000012987367 556181773 /nfs/dbraw/zinc/18/17/73/556181773.db2.gz PHUNYMVSBFPXDJ-QFIPXVFZSA-N 0 0 480.989 4.252 50 0 JIAARN Cc1ccc(-c2nnc(Nc3ccc(F)cc3)c3ccccc32)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000016945834 556182904 /nfs/dbraw/zinc/18/29/04/556182904.db2.gz RUQNUXBKVFXEOL-UHFFFAOYSA-N 0 0 491.592 4.424 50 0 JIAARN C[C@]1(c2cc3ccccc3o2)NC(=O)N(Cc2nnc(-c3ccccc3Br)o2)C1=O ZINC000012991063 556184098 /nfs/dbraw/zinc/18/40/98/556184098.db2.gz LGZZRHGVPCRRRK-OAQYLSRUSA-N 0 0 467.279 4.213 50 0 JIAARN COc1ccc(-c2cc(=O)[nH]c(SCc3nc(-c4ccc(OC)c(OC)c4)no3)n2)cc1 ZINC000016954631 556185886 /nfs/dbraw/zinc/18/58/86/556185886.db2.gz XIEWPADBYQGQML-UHFFFAOYSA-N 0 0 452.492 4.217 50 0 JIAARN Cc1cc(C(=O)COC(=O)C[C@@](O)(c2ccccc2)C(F)(F)F)c(C)n1CC(F)(F)F ZINC000012995476 556188078 /nfs/dbraw/zinc/18/80/78/556188078.db2.gz NRFUTBNLZCEDPC-GOSISDBHSA-N 0 0 451.363 4.233 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cccc(N2CCCC2=O)c1 ZINC000012995598 556188100 /nfs/dbraw/zinc/18/81/00/556188100.db2.gz YSALZBCSAFIURY-UHFFFAOYSA-N 0 0 453.848 4.196 50 0 JIAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cc(C)nn3C)c2)n(-c2ccccc2OC)n1 ZINC000025148892 556188426 /nfs/dbraw/zinc/18/84/26/556188426.db2.gz GLXNGQSYEFAQLV-UHFFFAOYSA-N 0 0 459.506 4.019 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccccc4F)CC3)cc2)n(-c2ccccn2)n1 ZINC000025151844 556192742 /nfs/dbraw/zinc/19/27/42/556192742.db2.gz JCVHFMWRZFBCFG-UHFFFAOYSA-N 0 0 499.546 4.213 50 0 JIAARN CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)N(C)CC(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000013000239 556192880 /nfs/dbraw/zinc/19/28/80/556192880.db2.gz WTBGCJYVPQZDJI-UHFFFAOYSA-N 0 0 494.931 4.186 50 0 JIAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(Br)cc1F ZINC000013000827 556193457 /nfs/dbraw/zinc/19/34/57/556193457.db2.gz YVVWSNGUVXCGIN-UHFFFAOYSA-N 0 0 469.376 4.334 50 0 JIAARN CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1 ZINC000013001456 556194387 /nfs/dbraw/zinc/19/43/87/556194387.db2.gz SXTKKVUBJRDSLZ-WOJGMQOQSA-N 0 0 470.591 4.468 50 0 JIAARN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000013006538 556198072 /nfs/dbraw/zinc/19/80/72/556198072.db2.gz NREQDUNXINKGCS-IBGZPJMESA-N 0 0 453.587 4.300 50 0 JIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c1 ZINC000013007546 556199040 /nfs/dbraw/zinc/19/90/40/556199040.db2.gz QETLKPCTKRJFSH-SKCUWOTOSA-N 0 0 493.604 4.132 50 0 JIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c1 ZINC000013007542 556199105 /nfs/dbraw/zinc/19/91/05/556199105.db2.gz QETLKPCTKRJFSH-DFHRPNOPSA-N 0 0 493.604 4.132 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 ZINC000013008870 556200118 /nfs/dbraw/zinc/20/01/18/556200118.db2.gz CGSWNWSLJPZILV-LJQANCHMSA-N 0 0 492.041 4.170 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)cc1C ZINC000013010096 556201892 /nfs/dbraw/zinc/20/18/92/556201892.db2.gz WBGYTUAFCQJHAT-UHFFFAOYSA-N 0 0 478.578 4.449 50 0 JIAARN Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccc(I)cc3)CC2)n1 ZINC000017012352 556202451 /nfs/dbraw/zinc/20/24/51/556202451.db2.gz FJQYTAWZCBULNN-UHFFFAOYSA-N 0 0 499.356 4.096 50 0 JIAARN Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccccc3I)CC2)n1 ZINC000017012609 556202877 /nfs/dbraw/zinc/20/28/77/556202877.db2.gz ULNBFECVMBKGJB-UHFFFAOYSA-N 0 0 499.356 4.096 50 0 JIAARN COc1cc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)cc(OC)c1OC ZINC000017013204 556203119 /nfs/dbraw/zinc/20/31/19/556203119.db2.gz GOXFZNNNXSIEPC-UHFFFAOYSA-N 0 0 463.538 4.407 50 0 JIAARN O=C1C(=C(NCCc2c[nH]cn2)c2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 ZINC000025183238 556203638 /nfs/dbraw/zinc/20/36/38/556203638.db2.gz GDIMDHOLBDBKMP-UHFFFAOYSA-N 0 0 489.620 4.409 50 0 JIAARN Cc1c([C@@H](C)NC(=O)c2cccc(S(C)(=O)=O)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000013012177 556203878 /nfs/dbraw/zinc/20/38/78/556203878.db2.gz NGWSVODAURQUQF-CYBMUJFWSA-N 0 0 451.470 4.094 50 0 JIAARN CCOc1cc(/C=C/C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)ccc1OC(F)F ZINC000025295030 556207966 /nfs/dbraw/zinc/20/79/66/556207966.db2.gz JSCBVANQGAKIIS-RILDOFPPSA-N 0 0 471.464 4.130 50 0 JIAARN Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4ccc(Br)o4)CC3)n2)cc1 ZINC000017042601 556209129 /nfs/dbraw/zinc/20/91/29/556209129.db2.gz XPOWAADBWUSGFW-UHFFFAOYSA-N 0 0 456.344 4.155 50 0 JIAARN CCOc1ccc([C@@H](CNC(=O)c2cccc3c4c([nH]c32)CCCC4)N2CCOCC2)cc1OC ZINC000013020214 556211205 /nfs/dbraw/zinc/21/12/05/556211205.db2.gz CYAQXIJLYZMIFX-XMMPIXPASA-N 0 0 477.605 4.257 50 0 JIAARN COc1ccc(CCNc2nc3ccccc3nc2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000017051079 556211971 /nfs/dbraw/zinc/21/19/71/556211971.db2.gz RHGXUMSLEGQWJF-UHFFFAOYSA-N 0 0 463.559 4.443 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(C)c(C)c4)ccc32)cc1 ZINC000017053166 556213586 /nfs/dbraw/zinc/21/35/86/556213586.db2.gz XNFIMTQWYCVFHQ-UHFFFAOYSA-N 0 0 486.615 4.254 50 0 JIAARN COc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(CSc2nc(C)cc(C)n2)cc1=O ZINC000017120740 556219343 /nfs/dbraw/zinc/21/93/43/556219343.db2.gz RAXPCPBXSVTKHM-UHFFFAOYSA-N 0 0 458.971 4.157 50 0 JIAARN COC(=O)c1ccc(CSc2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)o1 ZINC000013027451 556220497 /nfs/dbraw/zinc/22/04/97/556220497.db2.gz ARFWMTORGCYGFS-UHFFFAOYSA-N 0 0 459.593 4.074 50 0 JIAARN COc1ccccc1C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1cccc(C)c1C ZINC000017135766 556223254 /nfs/dbraw/zinc/22/32/54/556223254.db2.gz GEVPVFAKRPUWFC-UHFFFAOYSA-N 0 0 453.506 4.187 50 0 JIAARN COc1cc(NC(=O)COC(=O)COc2ccc(C3SCCCS3)cc2)cc(OC)c1OC ZINC000013028930 556223296 /nfs/dbraw/zinc/22/32/96/556223296.db2.gz WELGZWMCDJWVBV-UHFFFAOYSA-N 0 0 493.603 4.142 50 0 JIAARN CCOC(=O)CCCCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000017143548 556225009 /nfs/dbraw/zinc/22/50/09/556225009.db2.gz VTXJSAJKFRUKNI-PGMHBOJBSA-N 0 0 487.394 4.460 50 0 JIAARN COc1ccc(-n2c(SCC(=O)Nc3nnc(C)s3)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000017144284 556225691 /nfs/dbraw/zinc/22/56/91/556225691.db2.gz OQVMOGOHRQYJDP-UHFFFAOYSA-N 0 0 477.575 4.315 50 0 JIAARN O=C(c1cccc(C(F)(F)F)c1)N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000017149885 556227397 /nfs/dbraw/zinc/22/73/97/556227397.db2.gz KAUCWZNVLITVPA-MRXNPFEDSA-N 0 0 460.271 4.425 50 0 JIAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nc(CN4CCOCC4)cs3)[C@@H]2c2cccs2)cc1 ZINC000025608723 556227466 /nfs/dbraw/zinc/22/74/66/556227466.db2.gz BHBCOPJOBMMTTG-NZQKXSOJSA-N 0 0 496.658 4.468 50 0 JIAARN CCCc1ccc(S(=O)(=O)N2CCN(c3ncnc4sc5c(c43)CC[C@H](C)C5)CC2)cc1 ZINC000013031533 556228283 /nfs/dbraw/zinc/22/82/83/556228283.db2.gz DOBZYKZTSABYNN-KRWDZBQOSA-N 0 0 470.664 4.280 50 0 JIAARN CS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000025639069 556228449 /nfs/dbraw/zinc/22/84/49/556228449.db2.gz XYAXDNLFKISJSU-UHFFFAOYSA-N 0 0 461.893 4.012 50 0 JIAARN COc1ccccc1-c1nc(CN2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cs1 ZINC000013031606 556228599 /nfs/dbraw/zinc/22/85/99/556228599.db2.gz AAZJNGFKBOKOHT-UHFFFAOYSA-N 0 0 497.564 4.344 50 0 JIAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000013032057 556230230 /nfs/dbraw/zinc/23/02/30/556230230.db2.gz IPOTYWSKFJQOHT-UHFFFAOYSA-N 0 0 450.564 4.184 50 0 JIAARN Cc1ccc(Nc2nc(CSc3nnc(NCCCN4CCOCC4)s3)cs2)cc1 ZINC000025764730 556232797 /nfs/dbraw/zinc/23/27/97/556232797.db2.gz DRXOUQZDAQDBFX-UHFFFAOYSA-N 0 0 462.670 4.473 50 0 JIAARN O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000013037778 556232808 /nfs/dbraw/zinc/23/28/08/556232808.db2.gz CXKWFHQRZDPAIL-UHFFFAOYSA-N 0 0 492.757 4.266 50 0 JIAARN CCOC(=O)CNS(=O)(=O)c1cc(-c2nnc(Nc3ccccc3)c3ccccc32)ccc1C ZINC000017179648 556234131 /nfs/dbraw/zinc/23/41/31/556234131.db2.gz GMVKTEPKOAZOFW-UHFFFAOYSA-N 0 0 476.558 4.190 50 0 JIAARN COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4cccc(Cl)c4Cl)CC3)c(C)nc2c1 ZINC000017188573 556235568 /nfs/dbraw/zinc/23/55/68/556235568.db2.gz KPKSSCULOYKYTO-UHFFFAOYSA-N 0 0 494.400 4.005 50 0 JIAARN Oc1ccccc1N1CCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)CC1 ZINC000013038393 556236129 /nfs/dbraw/zinc/23/61/29/556236129.db2.gz SGAGBSJIIHCXEL-UHFFFAOYSA-N 0 0 493.658 4.284 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CN1CCC[C@@H]1c1ccc3c(c1)OCCO3)CCCC2 ZINC000013038413 556236379 /nfs/dbraw/zinc/23/63/79/556236379.db2.gz UZAKWTVUZWFRMG-GOSISDBHSA-N 0 0 470.591 4.350 50 0 JIAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 ZINC000017191913 556237303 /nfs/dbraw/zinc/23/73/03/556237303.db2.gz LKJCVKOQQZFJEX-UHFFFAOYSA-N 0 0 468.600 4.069 50 0 JIAARN O=C(CSCc1cc(=O)n2ccsc2n1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000025904432 556238256 /nfs/dbraw/zinc/23/82/56/556238256.db2.gz VUDAMNZRHNFKIA-NRFANRHFSA-N 0 0 453.614 4.225 50 0 JIAARN Cc1cccc(NC(=O)CSCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000025965199 556239469 /nfs/dbraw/zinc/23/94/69/556239469.db2.gz BMXORCFNXHAPJK-UHFFFAOYSA-N 0 0 451.514 4.034 50 0 JIAARN O=C(Nc1ccc(Br)cc1)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000017200692 556239481 /nfs/dbraw/zinc/23/94/81/556239481.db2.gz AUUDYGROXWYABW-LJQANCHMSA-N 0 0 458.337 4.104 50 0 JIAARN COc1ccc(-c2nc3n(n2)[C@H](c2cc(OC)ccc2OC)C(C(=O)Nc2cccnc2)=C(C)N3)cc1 ZINC000017243579 556244700 /nfs/dbraw/zinc/24/47/00/556244700.db2.gz BQLDVUQDWMQAFC-XMMPIXPASA-N 0 0 498.543 4.294 50 0 JIAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)c3ccccc3Cl)C2=O)cc1 ZINC000013040829 556244796 /nfs/dbraw/zinc/24/47/96/556244796.db2.gz DESPQNNHHNDBGN-UHFFFAOYSA-N 0 0 464.905 4.036 50 0 JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccccc3OC)nn2[C@@H]1c1cccnc1 ZINC000017243756 556245011 /nfs/dbraw/zinc/24/50/11/556245011.db2.gz JIQYELYFKKNIPE-HSZRJFAPSA-N 0 0 468.517 4.285 50 0 JIAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3)c3cccc(C)c3)C2=O)cc1OC ZINC000013040885 556245102 /nfs/dbraw/zinc/24/51/02/556245102.db2.gz LJEAYGPQEVELGY-NDEPHWFRSA-N 0 0 487.556 4.013 50 0 JIAARN COc1ccccc1NC(=O)CSc1cn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc12 ZINC000017246869 556246924 /nfs/dbraw/zinc/24/69/24/556246924.db2.gz PAFUYAQALNVUMF-ROUUACIJSA-N 0 0 467.591 4.017 50 0 JIAARN CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)COc1cc(C)cc(C)c1 ZINC000013042410 556249262 /nfs/dbraw/zinc/24/92/62/556249262.db2.gz RHEBRIHZKWEJCM-UHFFFAOYSA-N 0 0 461.628 4.198 50 0 JIAARN CCCCOC(=O)c1ccc(NC(=O)c2cccn(OCc3cccc(Cl)c3)c2=O)cc1 ZINC000017270581 556249539 /nfs/dbraw/zinc/24/95/39/556249539.db2.gz KYYWIOJZKKUXHG-UHFFFAOYSA-N 0 0 454.910 4.340 50 0 JIAARN CCCCOc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)cc1 ZINC000017271017 556249766 /nfs/dbraw/zinc/24/97/66/556249766.db2.gz QOXHHWSCRWSNPN-UHFFFAOYSA-N 0 0 497.621 4.345 50 0 JIAARN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(F)cc3)cc2)c1C ZINC000013055705 556250155 /nfs/dbraw/zinc/25/01/55/556250155.db2.gz MLGMDGMCWGPZRE-QGZVFWFLSA-N 0 0 470.522 4.427 50 0 JIAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000017285894 556250567 /nfs/dbraw/zinc/25/05/67/556250567.db2.gz OCZZXUDCBGCGGX-FQEVSTJZSA-N 0 0 461.572 4.340 50 0 JIAARN CCOC(=O)c1oc2ccccc2c1CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013056465 556251292 /nfs/dbraw/zinc/25/12/92/556251292.db2.gz NTUUCPKBISNATH-UHFFFAOYSA-N 0 0 496.507 4.135 50 0 JIAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN([C@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000017288189 556251511 /nfs/dbraw/zinc/25/15/11/556251511.db2.gz SWKRMNPHFHUYJL-IAGOWNOFSA-N 0 0 460.625 4.379 50 0 JIAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000017297291 556252764 /nfs/dbraw/zinc/25/27/64/556252764.db2.gz DQMURGBZIZJOQD-UHFFFAOYSA-N 0 0 470.547 4.427 50 0 JIAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1 ZINC000026430549 556253438 /nfs/dbraw/zinc/25/34/38/556253438.db2.gz QNONXHSCTJUMFG-ZDUSSCGKSA-N 0 0 471.945 4.213 50 0 JIAARN O=C(Nc1nc2ccccc2[nH]1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000017303725 556253604 /nfs/dbraw/zinc/25/36/04/556253604.db2.gz UOXJSVWGPGMSLI-UHFFFAOYSA-N 0 0 486.903 4.275 50 0 JIAARN Cc1cccc(N2C[C@H](C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)CC2=O)c1C ZINC000013058533 556253911 /nfs/dbraw/zinc/25/39/11/556253911.db2.gz OIZJCJTXJWMWFK-HXUWFJFHSA-N 0 0 460.603 4.310 50 0 JIAARN CCCCCOc1ccc(/C=c2\sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)cc1OCC ZINC000026533597 556256175 /nfs/dbraw/zinc/25/61/75/556256175.db2.gz SPEBLRWNWQIYHE-IQDKPADRSA-N 0 0 493.585 4.179 50 0 JIAARN O=C(CN1CCN(c2ccccc2O)CC1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000013060965 556256312 /nfs/dbraw/zinc/25/63/12/556256312.db2.gz ZQQYEWYGAQNAJG-LJQANCHMSA-N 0 0 452.605 4.015 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2C)cc1 ZINC000013061691 556256918 /nfs/dbraw/zinc/25/69/18/556256918.db2.gz IZXVBABRTWZYRE-UHFFFAOYSA-N 0 0 467.566 4.206 50 0 JIAARN CCc1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc([C@@H](C)CC)cc3)CC2)cc1 ZINC000013062886 556258317 /nfs/dbraw/zinc/25/83/17/556258317.db2.gz VOCPKUBBWCIHON-PMACEKPBSA-N 0 0 457.640 4.096 50 0 JIAARN CCc1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc([C@H](C)CC)cc3)CC2)cc1 ZINC000013062885 556258410 /nfs/dbraw/zinc/25/84/10/556258410.db2.gz VOCPKUBBWCIHON-UXHICEINSA-N 0 0 457.640 4.096 50 0 JIAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)cs2)cc1 ZINC000017336673 556259115 /nfs/dbraw/zinc/25/91/15/556259115.db2.gz VVTLLFBMIUOVQL-UHFFFAOYSA-N 0 0 477.995 4.045 50 0 JIAARN C[C@H]1CCCC[C@@H]1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000013063278 556259565 /nfs/dbraw/zinc/25/95/65/556259565.db2.gz UARQTHNNIVDRFV-LIRRHRJNSA-N 0 0 459.395 4.472 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(S[C@@H](C)c1nnc(-c3cccs3)o1)n(C[C@H]1CCCO1)c2=O ZINC000017742842 556265523 /nfs/dbraw/zinc/26/55/23/556265523.db2.gz JPVAZQFNYYQVGB-DZGCQCFKSA-N 0 0 498.586 4.327 50 0 JIAARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000017750829 556265800 /nfs/dbraw/zinc/26/58/00/556265800.db2.gz HGXSYGKIRWSKDW-ZRBLBEILSA-N 0 0 464.905 4.414 50 0 JIAARN CC(=O)Nc1cccc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)c1 ZINC000013070678 556268105 /nfs/dbraw/zinc/26/81/05/556268105.db2.gz RWBJBIPIMZDYRN-STZFKDTASA-N 0 0 465.575 4.409 50 0 JIAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000018012284 556276472 /nfs/dbraw/zinc/27/64/72/556276472.db2.gz SVKIEYQEBGSKFK-UHFFFAOYSA-N 0 0 467.444 4.487 50 0 JIAARN COC[C@@H](C)n1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccccc1OC ZINC000013075482 556276771 /nfs/dbraw/zinc/27/67/71/556276771.db2.gz DNWAHNWHRCQJLD-HZPDHXFCSA-N 0 0 474.558 4.332 50 0 JIAARN CC(=O)Oc1cccc2c1N1C(C(=O)c3ccccc3)=C3C(O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@H]1C=C2 ZINC000018044213 556279534 /nfs/dbraw/zinc/27/95/34/556279534.db2.gz ABRSXJXOKZLPEM-AWTIUKJOSA-N 0 0 492.531 4.193 50 0 JIAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000018091057 556286322 /nfs/dbraw/zinc/28/63/22/556286322.db2.gz HZMSDVWXZCDTAM-KDURUIRLSA-N 0 0 486.634 4.274 50 0 JIAARN Cc1cccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)c1C ZINC000013095300 556287084 /nfs/dbraw/zinc/28/70/84/556287084.db2.gz WOSNLYDADHFVDR-UHFFFAOYSA-N 0 0 483.678 4.150 50 0 JIAARN CCCCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)nc2ccccc2c1=O ZINC000013095461 556287607 /nfs/dbraw/zinc/28/76/07/556287607.db2.gz BWNJEBUJDIGNJV-UHFFFAOYSA-N 0 0 471.604 4.264 50 0 JIAARN COC(=O)CNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000027528497 556290675 /nfs/dbraw/zinc/29/06/75/556290675.db2.gz KRJKSHVAHRTFRC-MRDQGFSESA-N 0 0 467.525 4.058 50 0 JIAARN CCOc1cc(C=C(Cl)c2nc(=O)c3c(C)c(C(=O)OCCOC)sc3[nH]2)ccc1OC ZINC000013097123 556292976 /nfs/dbraw/zinc/29/29/76/556292976.db2.gz HXHJWXMUOQOPOR-UVTDQMKNSA-N 0 0 478.954 4.240 50 0 JIAARN O=C(Nc1ccccc1)/C(=C\c1ccco1)NC(=O)c1ccccc1I ZINC000027533735 556293636 /nfs/dbraw/zinc/29/36/36/556293636.db2.gz UFOKMKAKUHCCTN-QGOAFFKASA-N 0 0 458.255 4.294 50 0 JIAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cn3nc(-c4ccccc4)oc3=S)CC2)cc1 ZINC000013097610 556294461 /nfs/dbraw/zinc/29/44/61/556294461.db2.gz HIOBSSIINUQOLW-UHFFFAOYSA-N 0 0 472.636 4.134 50 0 JIAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)NC(=O)NCc3ccccc3)c2c1 ZINC000013098855 556298633 /nfs/dbraw/zinc/29/86/33/556298633.db2.gz CUGNDIMYSWUKCU-UHFFFAOYSA-N 0 0 453.498 4.393 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C[C@H]2OC(=O)c3ccccc32)c1 ZINC000013100420 556299610 /nfs/dbraw/zinc/29/96/10/556299610.db2.gz SVWPYAYGQSZVNT-HSZRJFAPSA-N 0 0 480.542 4.151 50 0 JIAARN C[C@H](Sc1nnc(-c2ccc3c(c2)nc2n(c3=O)CCCCC2)o1)C(=O)Nc1ccc(F)cc1 ZINC000013100533 556299889 /nfs/dbraw/zinc/29/98/89/556299889.db2.gz WHPJHMKELRJXCJ-AWEZNQCLSA-N 0 0 479.537 4.431 50 0 JIAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)c3c4ccccc4[nH]c3-c3ccccc3)C2=O)cc1 ZINC000013100885 556300697 /nfs/dbraw/zinc/30/06/97/556300697.db2.gz NZEQAECFWODULV-MHZLTWQESA-N 0 0 453.498 4.493 50 0 JIAARN CCc1ccc(O)c(-c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)n[nH]2)c1 ZINC000027663703 556303035 /nfs/dbraw/zinc/30/30/35/556303035.db2.gz LWWXAFYCZCFLLF-HNNXBMFYSA-N 0 0 480.590 4.056 50 0 JIAARN CCCOc1ccc(CN(C(=O)c2cc(-c3ccc(C)c(F)c3)on2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027744883 556305060 /nfs/dbraw/zinc/30/50/60/556305060.db2.gz ZMDAGWLIDURABH-HXUWFJFHSA-N 0 0 486.565 4.407 50 0 JIAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1 ZINC000018198383 556305316 /nfs/dbraw/zinc/30/53/16/556305316.db2.gz IOVWEOJQFOKELT-UHFFFAOYSA-N 0 0 475.526 4.064 50 0 JIAARN O=C([C@H]1[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N[C@@]1(O)c1ccc(F)cc1)C(F)(F)F ZINC000027754432 556306057 /nfs/dbraw/zinc/30/60/57/556306057.db2.gz BGTDTPVDGYXASI-CKEIUWERSA-N 0 0 451.203 4.079 50 0 JIAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccccc2)c(C(=O)Nc2ccccc2F)n1 ZINC000027793127 556307558 /nfs/dbraw/zinc/30/75/58/556307558.db2.gz IZHIYCLKEYVVST-UHFFFAOYSA-N 0 0 494.548 4.461 50 0 JIAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000013109603 556308756 /nfs/dbraw/zinc/30/87/56/556308756.db2.gz YYJHQGJOIFJPEI-SANMLTNESA-N 0 0 470.548 4.482 50 0 JIAARN O=C([C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)c1ccccc1)N1CCOCC1 ZINC000013109607 556308805 /nfs/dbraw/zinc/30/88/05/556308805.db2.gz CIAIZSFXGFMWQI-DEOSSOPVSA-N 0 0 489.572 4.276 50 0 JIAARN 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CCOC(=O)C1=C(COC(=O)c2cc(-c3ccco3)nc3ccccc32)NC(=O)N[C@@H]1c1ccco1 ZINC000018225174 556313239 /nfs/dbraw/zinc/31/32/39/556313239.db2.gz LITQUTJTXMGNSW-HSZRJFAPSA-N 0 0 487.468 4.116 50 0 JIAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 ZINC000013112446 556313771 /nfs/dbraw/zinc/31/37/71/556313771.db2.gz YTCWUEFAVUQWAH-JMQGSBJISA-N 0 0 455.558 4.363 50 0 JIAARN CCCCSc1cc2c(cc1NC(=O)c1cc(OC)c(OC)c(OC)c1)n(C)c(=O)n2C ZINC000028049267 556314223 /nfs/dbraw/zinc/31/42/23/556314223.db2.gz GYWJNPBGCQROIL-UHFFFAOYSA-N 0 0 459.568 4.047 50 0 JIAARN CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(C)cc2)C2CC2)c(Br)c1 ZINC000028054500 556315281 /nfs/dbraw/zinc/31/52/81/556315281.db2.gz ZKJRIUQIGGYELY-UHFFFAOYSA-N 0 0 452.370 4.288 50 0 JIAARN Cc1ccc(N2C(=O)C[C@@H](C(=O)OCc3nc(N)c4ccccc4n3)[C@H]2c2cccs2)cc1 ZINC000018261735 556317193 /nfs/dbraw/zinc/31/71/93/556317193.db2.gz FZZPZUUITGXPEF-JPYJTQIMSA-N 0 0 458.543 4.420 50 0 JIAARN 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CCOc1ccccc1Nc1nnc(S[C@H](C(=O)N2CCOCC2)c2ccccc2)s1 ZINC000008720663 569598175 /nfs/dbraw/zinc/59/81/75/569598175.db2.gz ZTEBSSBGRAYDGW-IBGZPJMESA-N 0 0 456.593 4.373 50 0 JIAARN Cc1ccccc1CN(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1 ZINC000008723991 569599431 /nfs/dbraw/zinc/59/94/31/569599431.db2.gz KDUJGPUQDNIJMG-IBGZPJMESA-N 0 0 472.010 4.288 50 0 JIAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1nnc(Cc2ccccc2F)n1N ZINC000008724168 569599590 /nfs/dbraw/zinc/59/95/90/569599590.db2.gz XHKBUJDPJVGQIE-UHFFFAOYSA-N 0 0 485.972 4.386 50 0 JIAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000008724251 569599633 /nfs/dbraw/zinc/59/96/33/569599633.db2.gz KDRCHVSLLYWTNZ-UHFFFAOYSA-N 0 0 457.018 4.456 50 0 JIAARN COc1ccccc1-n1c(SCC(=O)N2CCCc3ccccc32)nnc1N1CCCCC1 ZINC000008725806 569600363 /nfs/dbraw/zinc/60/03/63/569600363.db2.gz DPRQHJMOSDMSDP-UHFFFAOYSA-N 0 0 463.607 4.338 50 0 JIAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)NC[C@H]1COc2ccccc2O1 ZINC000008725964 569600647 /nfs/dbraw/zinc/60/06/47/569600647.db2.gz MHQIHHVGLAUOAZ-IBGZPJMESA-N 0 0 493.976 4.031 50 0 JIAARN COc1cccc(CNC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)c1 ZINC000057417092 569601384 /nfs/dbraw/zinc/60/13/84/569601384.db2.gz XXMILIQOVWMFFR-UHFFFAOYSA-N 0 0 469.563 4.063 50 0 JIAARN COc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2OC)c1 ZINC000057425565 569601496 /nfs/dbraw/zinc/60/14/96/569601496.db2.gz NUNSTDKLXNRUFG-UHFFFAOYSA-N 0 0 467.572 4.254 50 0 JIAARN COc1ccc(-c2cc(CSc3nnc(N4CCOCC4)n3-c3ccc(C)cc3)on2)cc1 ZINC000008729332 569601492 /nfs/dbraw/zinc/60/14/92/569601492.db2.gz YAJRBUYMVLISCA-UHFFFAOYSA-N 0 0 463.563 4.368 50 0 JIAARN COc1ccc(Br)cc1CNC(=O)CC1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000032974222 569605320 /nfs/dbraw/zinc/60/53/20/569605320.db2.gz LBWYDXHNPVSXLE-UHFFFAOYSA-N 0 0 459.384 4.325 50 0 JIAARN CCc1nn(-c2ccccc2)c2c1CN(C(=O)NCCOC)[C@@H](c1cccc(OC)c1)c1cccn1-2 ZINC000032977744 569606457 /nfs/dbraw/zinc/60/64/57/569606457.db2.gz NSRMMCJOCUHRLQ-SANMLTNESA-N 0 0 485.588 4.495 50 0 JIAARN COc1ccc(Nc2ccccc2NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000032981910 569606540 /nfs/dbraw/zinc/60/65/40/569606540.db2.gz CSWHEFBTEQHGIZ-UHFFFAOYSA-N 0 0 451.548 4.476 50 0 JIAARN O=C(/C=C/c1cccc(F)c1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F ZINC000032981932 569606747 /nfs/dbraw/zinc/60/67/47/569606747.db2.gz DODCNQUXFMCENI-RMKNXTFCSA-N 0 0 472.460 4.203 50 0 JIAARN COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2OC)O3)c(OC)c1 ZINC000032983777 569607064 /nfs/dbraw/zinc/60/70/64/569607064.db2.gz GBVSFYTZUFDXPF-CFRMEGHHSA-N 0 0 460.486 4.014 50 0 JIAARN O=C(c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2)N1CCN(c2ccccn2)CC1 ZINC000032983860 569607155 /nfs/dbraw/zinc/60/71/55/569607155.db2.gz ZPRJQMFWDDUVCW-JWGURIENSA-N 0 0 460.921 4.069 50 0 JIAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000060084149 569608355 /nfs/dbraw/zinc/60/83/55/569608355.db2.gz JPTGOPISGMPNNC-AWEZNQCLSA-N 0 0 454.741 4.311 50 0 JIAARN CCOc1cc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc(OCC)c1OCC ZINC000060064270 569608384 /nfs/dbraw/zinc/60/83/84/569608384.db2.gz ISAAXTMVZRGWFP-UHFFFAOYSA-N 0 0 471.550 4.090 50 0 JIAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000060335466 569608840 /nfs/dbraw/zinc/60/88/40/569608840.db2.gz INMGVAFMYOHZNN-QGZVFWFLSA-N 0 0 475.998 4.036 50 0 JIAARN COc1ccc(NC(=O)c2nnc(CSCC(=O)NCc3ccc(Cl)cc3)s2)cc1 ZINC000032986980 569609156 /nfs/dbraw/zinc/60/91/56/569609156.db2.gz AWPRJKHOFPLOTR-UHFFFAOYSA-N 0 0 462.984 4.002 50 0 JIAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)N1CCN(c2cccc(C)c2C)CC1 ZINC000061872426 569609184 /nfs/dbraw/zinc/60/91/84/569609184.db2.gz GLTYHTDLBFDNEJ-QGZVFWFLSA-N 0 0 468.985 4.374 50 0 JIAARN CC1CCN(Cc2csc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)n2)CC1 ZINC000032988437 569609813 /nfs/dbraw/zinc/60/98/13/569609813.db2.gz JFNDNLPQLVWBID-UHFFFAOYSA-N 0 0 498.674 4.205 50 0 JIAARN COc1ccc(CCNC(=O)CC/C(C)=C/Cc2c(O)c3c(c(C)c2OC)COC3=O)cc1 ZINC000062001571 569610203 /nfs/dbraw/zinc/61/02/03/569610203.db2.gz JXVQEQXTSGFUFH-FZSIALSZSA-N 0 0 453.535 4.016 50 0 biogenic JIAARN COc1ccc(-c2nn3c(nc(CNC(=O)Nc4cccc(C(F)(F)F)c4)cc3=O)s2)cc1 ZINC000032996110 569610462 /nfs/dbraw/zinc/61/04/62/569610462.db2.gz YOLZSZAOLYCGOF-UHFFFAOYSA-N 0 0 475.452 4.167 50 0 JIAARN CCOc1ccc2nc(NC(=O)C3CCN(c4ccc(-n5nc(C)cc5C)nn4)CC3)sc2c1 ZINC000062163568 569610490 /nfs/dbraw/zinc/61/04/90/569610490.db2.gz CYVMZWBGDQPPIX-UHFFFAOYSA-N 0 0 477.594 4.143 50 0 JIAARN CCn1c(CNc2ccc3c(C)cc(=O)oc3c2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000062376456 569610775 /nfs/dbraw/zinc/61/07/75/569610775.db2.gz SISXRHTUJSMZCK-UHFFFAOYSA-N 0 0 480.590 4.258 50 0 JIAARN C[C@H](C(=O)Nc1ccc(Br)cc1F)S(=O)(=O)Cc1cc(Cl)cc2c1OCOC2 ZINC000062587330 569611973 /nfs/dbraw/zinc/61/19/73/569611973.db2.gz MMUTVLYHPRCSCY-SNVBAGLBSA-N 0 0 492.750 4.050 50 0 JIAARN COc1ccc([C@@H]2Oc3nc(SC)nnc3-c3cc(Cl)ccc3N2C(C)=O)c(OC)c1 ZINC000032998200 569612169 /nfs/dbraw/zinc/61/21/69/569612169.db2.gz XATPUJAXBIPANM-FQEVSTJZSA-N 0 0 458.927 4.375 50 0 JIAARN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000062588346 569612198 /nfs/dbraw/zinc/61/21/98/569612198.db2.gz RYTJXXDGBCDFPA-AWEZNQCLSA-N 0 0 471.432 4.343 50 0 JIAARN COc1ccc(C(=O)Nc2cc(NC(=O)Cc3ccc(OC)c(OC)c3)ccc2OC)cc1 ZINC000032998315 569612288 /nfs/dbraw/zinc/61/22/88/569612288.db2.gz JTQLIOULFNWGNT-UHFFFAOYSA-N 0 0 450.491 4.155 50 0 biogenic JIAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(-n2nc(Sc3ccc(F)cc3)ccc2=O)cc1 ZINC000032998819 569612992 /nfs/dbraw/zinc/61/29/92/569612992.db2.gz DBPSBVOAYDFJPD-UHFFFAOYSA-N 0 0 475.501 4.182 50 0 JIAARN O=C(COc1ccccc1)N1CCC(C(=O)N2CCCc3cc(Br)cc(F)c32)CC1 ZINC000062626206 569613595 /nfs/dbraw/zinc/61/35/95/569613595.db2.gz BJHILGUTXGBCPC-UHFFFAOYSA-N 0 0 475.358 4.185 50 0 JIAARN CC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000062626176 569613627 /nfs/dbraw/zinc/61/36/27/569613627.db2.gz UQJBPHCYZSJVCW-LBPRGKRZSA-N 0 0 495.171 4.162 50 0 JIAARN CCc1ccc(NC(=O)C2CCN(c3c(C)n(-c4ccccc4)c(=O)n(CC(C)C)c3=O)CC2)cc1 ZINC000032999365 569613692 /nfs/dbraw/zinc/61/36/92/569613692.db2.gz DFQZYOZNTCGICO-UHFFFAOYSA-N 0 0 488.632 4.381 50 0 JIAARN COCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccccc2)C[C@H]1c1ccc2nccnc2c1 ZINC000062637619 569613951 /nfs/dbraw/zinc/61/39/51/569613951.db2.gz XDAKEOASTRDCBS-VWLOTQADSA-N 0 0 489.535 4.462 50 0 JIAARN COc1cccc([C@H](CNC(=O)c2ccc(CS(C)(=O)=O)cc2)c2c[nH]c3ccccc32)c1OC ZINC000033000410 569614064 /nfs/dbraw/zinc/61/40/64/569614064.db2.gz JYCIZHXWBJXJGX-QHCPKHFHSA-N 0 0 492.597 4.292 50 0 JIAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(CC(=O)Nc5cccc(F)c5)CC4)cc3)o2)cc1 ZINC000062733104 569614681 /nfs/dbraw/zinc/61/46/81/569614681.db2.gz JEYLSTFKNCWFAU-UHFFFAOYSA-N 0 0 499.546 4.248 50 0 JIAARN CCOC(=O)C[C@@H](NC(=O)Nc1cc2sc(NC(=O)CC)nc2c(OC)c1)c1ccccc1 ZINC000033008455 569615962 /nfs/dbraw/zinc/61/59/62/569615962.db2.gz UZIASORDZJZWBT-MRXNPFEDSA-N 0 0 470.551 4.469 50 0 JIAARN O=C(NCc1cccs1)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 ZINC000033010079 569616568 /nfs/dbraw/zinc/61/65/68/569616568.db2.gz IJXMHFVIXVCSOY-UHFFFAOYSA-N 0 0 452.971 4.039 50 0 JIAARN Cc1c(-c2nc(-c3ccccc3)no2)sc2ncn(CC(=O)NCc3ccc(C)cc3)c(=O)c12 ZINC000064439124 569616688 /nfs/dbraw/zinc/61/66/88/569616688.db2.gz VLVLGFDRSATHCE-UHFFFAOYSA-N 0 0 471.542 4.108 50 0 JIAARN Cc1c(-c2nc(-c3ccc(F)cc3)no2)sc2ncn(CC(=O)Nc3ccccc3F)c(=O)c12 ZINC000064439217 569616779 /nfs/dbraw/zinc/61/67/79/569616779.db2.gz JTZHJDYKWNAGOW-UHFFFAOYSA-N 0 0 479.468 4.400 50 0 JIAARN CC[C@@H](C)NC(=O)Cn1cnc2sc(-c3nc(-c4ccc(Cl)cc4)no3)c(C)c2c1=O ZINC000064439284 569616900 /nfs/dbraw/zinc/61/69/00/569616900.db2.gz SSDHHIAERDIPKY-LLVKDONJSA-N 0 0 457.943 4.052 50 0 JIAARN CCOC(=O)C[C@@H](NC(=O)N1CCCN(c2nc3ccccc3n3cccc23)CC1)c1ccccc1 ZINC000064450082 569616933 /nfs/dbraw/zinc/61/69/33/569616933.db2.gz DYMLPYWOYWVMAA-HSZRJFAPSA-N 0 0 485.588 4.404 50 0 JIAARN O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1 ZINC000064450147 569617039 /nfs/dbraw/zinc/61/70/39/569617039.db2.gz GSCDYDPRGXRJPH-UHFFFAOYSA-N 0 0 494.349 4.333 50 0 JIAARN COc1ccc(-c2noc(-c3cccc(OCC(=O)N4CCN(c5ccccc5)CC4)c3)n2)cc1 ZINC000033012409 569617578 /nfs/dbraw/zinc/61/75/78/569617578.db2.gz YAWUSZUEVIAYHL-UHFFFAOYSA-N 0 0 470.529 4.140 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)n3)n2-c2ccccc2)cc1OC ZINC000033013630 569617637 /nfs/dbraw/zinc/61/76/37/569617637.db2.gz NNGWSFMRIZPTEB-UHFFFAOYSA-N 0 0 461.547 4.386 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)cc1 ZINC000064471533 569617833 /nfs/dbraw/zinc/61/78/33/569617833.db2.gz PSLKJBRGYLBEGH-UHFFFAOYSA-N 0 0 453.568 4.328 50 0 JIAARN COc1cccc(CN2C(=O)C(=O)C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)c1 ZINC000064558296 569618542 /nfs/dbraw/zinc/61/85/42/569618542.db2.gz UEKNOIOHIJNNRA-JOCHJYFZSA-N 0 0 467.518 4.470 50 0 JIAARN CCCc1nnc(C(=O)Nc2cccc(C(=O)NCc3cc(Br)ccc3OC)c2)s1 ZINC000033022800 569619371 /nfs/dbraw/zinc/61/93/71/569619371.db2.gz VSTUFEHKOOYKSI-UHFFFAOYSA-N 0 0 489.395 4.444 50 0 JIAARN CC[C@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4c(C)cccc4C)CC3)ccc21 ZINC000033023132 569619403 /nfs/dbraw/zinc/61/94/03/569619403.db2.gz HATWVHZXTKIUPV-SFHVURJKSA-N 0 0 469.611 4.059 50 0 JIAARN CC[C@@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C)cc4Cl)CC3)ccc21 ZINC000033023167 569619438 /nfs/dbraw/zinc/61/94/38/569619438.db2.gz IWCCYEFFBCCBPX-MRXNPFEDSA-N 0 0 490.029 4.404 50 0 JIAARN CCc1cccc(NC(=O)NC2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)c1 ZINC000064579326 569620261 /nfs/dbraw/zinc/62/02/61/569620261.db2.gz VHCSNZLXPCBOML-UHFFFAOYSA-N 0 0 482.588 4.193 50 0 JIAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1)NCc1ccc(Cl)cc1 ZINC000033024920 569620427 /nfs/dbraw/zinc/62/04/27/569620427.db2.gz KEXFUOIJPZMEEP-UHFFFAOYSA-N 0 0 498.008 4.003 50 0 JIAARN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CC[NH+](C3CCCCC3)CC2)c(C(=O)[O-])c1 ZINC000064580616 569620517 /nfs/dbraw/zinc/62/05/17/569620517.db2.gz WFEHCIOTSKHENR-UHFFFAOYSA-N 0 0 475.586 4.088 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C4CCCCC4)CC3)c(C(=O)[O-])c2)cc1 ZINC000064580615 569620600 /nfs/dbraw/zinc/62/06/00/569620600.db2.gz SRWWPAUJXBSGIL-UHFFFAOYSA-N 0 0 487.622 4.039 50 0 JIAARN COc1ccccc1C(=O)NCCc1nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1C ZINC000033025999 569620872 /nfs/dbraw/zinc/62/08/72/569620872.db2.gz ZFVJWLAYFGAQSM-UHFFFAOYSA-N 0 0 492.963 4.225 50 0 JIAARN Cc1ccc2nc(CSc3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc(=O)n2c1 ZINC000033026178 569620920 /nfs/dbraw/zinc/62/09/20/569620920.db2.gz MIOMCTCKQOPQAN-UHFFFAOYSA-N 0 0 455.536 4.235 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)cc1OC ZINC000033274767 569621992 /nfs/dbraw/zinc/62/19/92/569621992.db2.gz QITZQZDIRRSZNY-UHFFFAOYSA-N 0 0 472.607 4.233 50 0 JIAARN Cc1ccc(-n2cc3c(n2)ncnc3N2CCC[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)C2)cc1 ZINC000033273791 569622016 /nfs/dbraw/zinc/62/20/16/569622016.db2.gz IJXPCOKBTXMLDL-QUCCMNQESA-N 0 0 458.541 4.357 50 0 JIAARN CSc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4nn(-c5ccc(C)cc5)cc43)C2)cc1 ZINC000033273802 569622049 /nfs/dbraw/zinc/62/20/49/569622049.db2.gz VWUOWUZLQDJSCV-FQEVSTJZSA-N 0 0 472.618 4.379 50 0 JIAARN Cc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCc4ccccc4C3)c3ccccc32)cc1F ZINC000064605428 569622698 /nfs/dbraw/zinc/62/26/98/569622698.db2.gz LCTUAZRHYNVLIP-UHFFFAOYSA-N 0 0 469.516 4.286 50 0 JIAARN COc1ccccc1N1CCN(c2ccnc(SCC(=O)Nc3c(C)cccc3C)n2)CC1 ZINC000033309892 569622701 /nfs/dbraw/zinc/62/27/01/569622701.db2.gz WTAHMOODUVMHHH-UHFFFAOYSA-N 0 0 463.607 4.159 50 0 JIAARN O=S(=O)(c1cccc(-c2nc(-c3ccccc3)no2)c1)N1CCN(C2CCCCC2)CC1 ZINC000064610842 569622972 /nfs/dbraw/zinc/62/29/72/569622972.db2.gz RNKKKLVDPZBIDG-UHFFFAOYSA-N 0 0 452.580 4.043 50 0 JIAARN Cc1cccc(-c2csc3c2[nH]c(N2CCC(C(=O)N4CCC(C)CC4)CC2)nc3=O)c1 ZINC000064611841 569623020 /nfs/dbraw/zinc/62/30/20/569623020.db2.gz HDZQTZQBQMLHOQ-UHFFFAOYSA-N 0 0 450.608 4.435 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3cc(Sc4cccc(F)c4)ncn3)CC2)cc1OC ZINC000033312137 569623080 /nfs/dbraw/zinc/62/30/80/569623080.db2.gz 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/nfs/dbraw/zinc/73/72/37/569737237.db2.gz AZYVLDBXOXRICM-VWLOTQADSA-N 0 0 477.511 4.431 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@H](c3ccccc3OC)C2)c1 ZINC000035962544 569737655 /nfs/dbraw/zinc/73/76/55/569737655.db2.gz JMOLZUSOLVNLBW-DEOSSOPVSA-N 0 0 475.520 4.293 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)NC(C)(C)C)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000035963271 569737953 /nfs/dbraw/zinc/73/79/53/569737953.db2.gz YAOQEXPFKKDXNY-OAQYLSRUSA-N 0 0 456.974 4.466 50 0 JIAARN C[C@@H](CCc1ccccc1)N1C(=O)[C@@H](Cc2ccccc2)NC12CCN(C(=O)C1CCC1)CC2 ZINC000096210957 569738077 /nfs/dbraw/zinc/73/80/77/569738077.db2.gz DZPQOWGYTUOUPS-BKMJKUGQSA-N 0 0 459.634 4.170 50 0 JIAARN COc1cc2c(cc1OC)[C@H]([C@H](C)NS(=O)(=O)c1ccccc1)N(Cc1ccccc1)CC2 ZINC000096211365 569738374 /nfs/dbraw/zinc/73/83/74/569738374.db2.gz HBVYBPRSYCHQRJ-SIBVEZHUSA-N 0 0 466.603 4.170 50 0 JIAARN COCCN(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1cccc(OC)c1 ZINC000035972046 569739487 /nfs/dbraw/zinc/73/94/87/569739487.db2.gz 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CCOCCCN(CC(=O)c1c(C)c(C(=O)OCC)n(CC)c1C)C(=O)c1cccc(OC)c1 ZINC000036000722 569745790 /nfs/dbraw/zinc/74/57/90/569745790.db2.gz DZTGIAXVDAYRAW-UHFFFAOYSA-N 0 0 472.582 4.062 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036001109 569745819 /nfs/dbraw/zinc/74/58/19/569745819.db2.gz TUAQIRMBEABBEM-UHFFFAOYSA-N 0 0 480.584 4.009 50 0 JIAARN Cc1ccccc1N1CCN(c2nc(-c3ccc(F)cc3)ncc2C(=O)NCc2ccco2)CC1 ZINC000036003164 569746498 /nfs/dbraw/zinc/74/64/98/569746498.db2.gz GAXJIJCORHMBIV-UHFFFAOYSA-N 0 0 471.536 4.441 50 0 JIAARN Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)Nc5cccc(Cl)c5)CC4)c3CO2)cc1 ZINC000097943810 569746671 /nfs/dbraw/zinc/74/66/71/569746671.db2.gz ZIVUVSBNOLDXCW-JOCHJYFZSA-N 0 0 479.968 4.002 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CCc2ccccn2)C(=O)c2ccc(C)cc2)c1C ZINC000036004298 569746827 /nfs/dbraw/zinc/74/68/27/569746827.db2.gz SKPYGDAYMDSJFF-HXUWFJFHSA-N 0 0 461.562 4.468 50 0 JIAARN Cc1ccc(C(=O)N2CCCN(c3nc(C4CC4)nc4c3cnn4-c3ccccc3)CC2)cc1 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CC(C)OC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCCC1)Cc1ccc2c(c1)OCO2 ZINC000036312928 569760383 /nfs/dbraw/zinc/76/03/83/569760383.db2.gz QMEWYONXJVOTNQ-HSZRJFAPSA-N 0 0 493.604 4.459 50 0 JIAARN COc1ccccc1C(=O)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000036313321 569760789 /nfs/dbraw/zinc/76/07/89/569760789.db2.gz PQJQKQCQZCTULP-LJQANCHMSA-N 0 0 495.551 4.147 50 0 JIAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(C[C@@H]2CCCO2)C(=O)c2ccc(F)cc2)c1 ZINC000036314332 569761891 /nfs/dbraw/zinc/76/18/91/569761891.db2.gz ZUAJNLDWKGHWLM-QHCPKHFHSA-N 0 0 479.552 4.447 50 0 JIAARN O=C1[C@@H]2[C@H](c3cccnc3)N(c3ccc(Br)cc3)O[C@@H]2C(=O)N1C1CCCCC1 ZINC000100616660 569765586 /nfs/dbraw/zinc/76/55/86/569765586.db2.gz JNFUVUMHVIBJRM-AABGKKOBSA-N 0 0 456.340 4.023 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036342534 569765733 /nfs/dbraw/zinc/76/57/33/569765733.db2.gz RDNXXVZSIJVQPX-DEOSSOPVSA-N 0 0 467.997 4.473 50 0 JIAARN 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CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2OC)C1 ZINC000036345341 569767880 /nfs/dbraw/zinc/76/78/80/569767880.db2.gz QVJIFSXSVWTPLS-BWKNWUBXSA-N 0 0 477.605 4.265 50 0 JIAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2F)CC1 ZINC000036345478 569767972 /nfs/dbraw/zinc/76/79/72/569767972.db2.gz JBTCVFADJLCVHA-VWLOTQADSA-N 0 0 465.569 4.395 50 0 JIAARN COCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)C ZINC000036346564 569770025 /nfs/dbraw/zinc/77/00/25/569770025.db2.gz UDCXVAXJBNVTEJ-JOCHJYFZSA-N 0 0 489.563 4.486 50 0 JIAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000100799142 569770392 /nfs/dbraw/zinc/77/03/92/569770392.db2.gz QBDDFGGAIVCOHJ-ZLNRFVROSA-N 0 0 464.905 4.408 50 0 JIAARN COCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000036346620 569770458 /nfs/dbraw/zinc/77/04/58/569770458.db2.gz JACVJMZBKXEVHV-HSZRJFAPSA-N 0 0 489.563 4.486 50 0 JIAARN 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CCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)c1 ZINC000014827961 520819180 /nfs/dbraw/zinc/81/91/80/520819180.db2.gz BKHNWWMCFWEJSJ-ZHACJKMWSA-N 0 0 452.960 4.040 50 0 JIAARN CCOc1ccc(-c2nc(Cn3c(=O)c4c(C)cc(C)nc4n(Cc4ccco4)c3=O)c(C)o2)cc1 ZINC000012411983 520819475 /nfs/dbraw/zinc/81/94/75/520819475.db2.gz AUVKRLQZQCCQOM-UHFFFAOYSA-N 0 0 486.528 4.227 50 0 JIAARN CCOc1ccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4ccc(C)cc4)c3=O)n2)cc1OC ZINC000048986466 520829758 /nfs/dbraw/zinc/82/97/58/520829758.db2.gz CJVLBLBPPZQKMJ-UHFFFAOYSA-N 0 0 490.541 4.028 50 0 JIAARN C=C1C(N2CCC(C(=O)NCc3ccccc3Cl)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020389393 520842487 /nfs/dbraw/zinc/84/24/87/520842487.db2.gz GELLDLLKBBZRDK-UHFFFAOYSA-N 0 0 486.037 4.458 50 0 JIAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000016700114 520857722 /nfs/dbraw/zinc/85/77/22/520857722.db2.gz GANOSYNRHWABCE-GFCAVMEOSA-N 0 0 482.627 4.039 50 0 JIAARN CCCCOc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)o2)cc1 ZINC000035423433 520878091 /nfs/dbraw/zinc/87/80/91/520878091.db2.gz JZMJLWGDLNDRHF-UHFFFAOYSA-N 0 0 470.529 4.399 50 0 JIAARN CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CCN(c3ncccn3)C[C@@H]12 ZINC000033428978 520893171 /nfs/dbraw/zinc/89/31/71/520893171.db2.gz ALIZKMVZRMLMCZ-BVAGGSTKSA-N 0 0 472.980 4.099 50 0 biogenic JIAARN CCOC(=O)Cc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)cc1 ZINC000008619649 520906858 /nfs/dbraw/zinc/90/68/58/520906858.db2.gz YKFPEFXIQIRIKU-UHFFFAOYSA-N 0 0 486.528 4.332 50 0 JIAARN CCOC(=O)Cc1csc(NC(=O)NC2(C(F)(F)F)Oc3cc(Cl)c(Cl)cc3O2)n1 ZINC000095351606 520910316 /nfs/dbraw/zinc/91/03/16/520910316.db2.gz DBGLWWCIXGHCDG-UHFFFAOYSA-N 0 0 486.255 4.365 50 0 JIAARN CCOc1ccc(C(=O)c2cn(Cc3cccc(OC)c3)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000002693187 520924078 /nfs/dbraw/zinc/92/40/78/520924078.db2.gz DJZDGFRWGLPHIN-UHFFFAOYSA-N 0 0 457.482 4.417 50 0 JIAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)CCS3)CC1 ZINC000008653911 520929073 /nfs/dbraw/zinc/92/90/73/520929073.db2.gz BWDIIPBAILAAOX-UHFFFAOYSA-N 0 0 457.571 4.289 50 0 JIAARN CCOc1ccc(CC(=O)N2CCC[C@@H](c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)cc1OCC ZINC000033289732 520934459 /nfs/dbraw/zinc/93/44/59/520934459.db2.gz NBFRLGKABZCERW-OAQYLSRUSA-N 0 0 492.576 4.441 50 0 JIAARN CCOC(=O)N1CCN(C(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Cl)CC1 ZINC000002791646 520951408 /nfs/dbraw/zinc/95/14/08/520951408.db2.gz SOJFMDZNRBMYEX-UHFFFAOYSA-N 0 0 487.891 4.044 50 0 JIAARN CCOc1ccc(C[N@H+](CCOC)Cc2cc(=O)n3[n-]c(-c4ccc(Cl)cc4)cc3n2)cc1 ZINC000033126312 520965662 /nfs/dbraw/zinc/96/56/62/520965662.db2.gz RJRMQTAREUFPJG-UHFFFAOYSA-N 0 0 466.969 4.390 50 0 JIAARN CCOC(=O)N1CCc2c(nc(-c3ccc(C)cc3)n(CC(=O)Nc3ccc(C)c(Cl)c3)c2=O)C1 ZINC000035456720 520969350 /nfs/dbraw/zinc/96/93/50/520969350.db2.gz RMIYPRUGGPHJGU-UHFFFAOYSA-N 0 0 494.979 4.334 50 0 JIAARN CC1CCN(S(=O)(=O)c2cc3c(cc2N2CCSCC2)Oc2ccccc2NC3=O)CC1 ZINC000064986598 521027661 /nfs/dbraw/zinc/02/76/61/521027661.db2.gz DWQWUPSBJRSLCQ-UHFFFAOYSA-N 0 0 473.620 4.018 50 0 JIAARN CCOC(=O)[C@@H](C)Oc1ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc2c1C ZINC000002129267 521032541 /nfs/dbraw/zinc/03/25/41/521032541.db2.gz HIDBWLGDIIOFQN-CQSZACIVSA-N 0 0 450.443 4.214 50 0 biogenic JIAARN CC1CCN(c2ccc(C(=O)NC3CCCCC3)cc2S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000033053338 521038452 /nfs/dbraw/zinc/03/84/52/521038452.db2.gz UIIZLZOZVXKEIE-UHFFFAOYSA-N 0 0 461.672 4.406 50 0 JIAARN CC1CCN(c2ccc(C(=O)NCc3cccs3)cc2S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000033053316 521039184 /nfs/dbraw/zinc/03/91/84/521039184.db2.gz CTTQVPVYHQKGNF-UHFFFAOYSA-N 0 0 475.680 4.335 50 0 JIAARN CCOc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1S(=O)(=O)N1CCCC1 ZINC000014779399 521055662 /nfs/dbraw/zinc/05/56/62/521055662.db2.gz XPTZJVCVEMZZMO-UHFFFAOYSA-N 0 0 487.553 4.235 50 0 JIAARN CCOc1ccc(NC(=O)CCc2c(C)nc3nc(-c4cc(OC)cc(OC)c4)nn3c2C)cc1 ZINC000008598475 521055944 /nfs/dbraw/zinc/05/59/44/521055944.db2.gz PSMFSQUTBDNWKQ-UHFFFAOYSA-N 0 0 475.549 4.395 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nccnc2N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000021656983 521068166 /nfs/dbraw/zinc/06/81/66/521068166.db2.gz PYHGIZMODCPWQM-UHFFFAOYSA-N 0 0 467.570 4.072 50 0 JIAARN CCOc1ccc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)C[C@H](C(C)(C)C)CC5)cc1 ZINC000064945983 521077326 /nfs/dbraw/zinc/07/73/26/521077326.db2.gz BATWEICYRJSSOZ-OAHLLOKOSA-N 0 0 479.606 4.294 50 0 JIAARN CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)Nc3cccc(OC)c3)c3ccccc32)cc1 ZINC000064971613 521082753 /nfs/dbraw/zinc/08/27/53/521082753.db2.gz YSBYAEGVXLHWCW-UHFFFAOYSA-N 0 0 474.517 4.118 50 0 JIAARN CCC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1 ZINC000036115811 521086530 /nfs/dbraw/zinc/08/65/30/521086530.db2.gz MWLRFEJWHUTVQR-HXUWFJFHSA-N 0 0 465.015 4.181 50 0 JIAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(F)c1)C[C@H]1CCCO1 ZINC000036052149 521087451 /nfs/dbraw/zinc/08/74/51/521087451.db2.gz PEACCEBMRGOSSY-OAQYLSRUSA-N 0 0 464.541 4.343 50 0 JIAARN CCOc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000002876291 521114149 /nfs/dbraw/zinc/11/41/49/521114149.db2.gz HSKMDFHKXGSFHD-UHFFFAOYSA-N 0 0 470.547 4.180 50 0 JIAARN CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)ccc21 ZINC000033077415 521119301 /nfs/dbraw/zinc/11/93/01/521119301.db2.gz VNJQWAANFXWESH-UHFFFAOYSA-N 0 0 490.025 4.069 50 0 JIAARN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2Cl)CC1 ZINC000002880135 521124557 /nfs/dbraw/zinc/12/45/57/521124557.db2.gz NISAAMBEGRLRAN-UHFFFAOYSA-N 0 0 450.764 4.413 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3cccnc3)c(OC)c2)cc1 ZINC000003349469 521133815 /nfs/dbraw/zinc/13/38/15/521133815.db2.gz MLMCALTXEVBZHA-UHFFFAOYSA-N 0 0 458.565 4.099 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)N[C@H](C)c4ccccc4)c(O)c3c2)cc1 ZINC000006181520 521133971 /nfs/dbraw/zinc/13/39/71/521133971.db2.gz LQXSMLPWOZJQCY-QGZVFWFLSA-N 0 0 491.569 4.219 50 0 JIAARN CCOc1ccc(OCCSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)cc1 ZINC000002662786 521177180 /nfs/dbraw/zinc/17/71/80/521177180.db2.gz MNCSQNIMIVBZJN-UHFFFAOYSA-N 0 0 489.619 4.481 50 0 JIAARN CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)n2)ccc1C ZINC000016648057 521195094 /nfs/dbraw/zinc/19/50/94/521195094.db2.gz BCAHFXLTGYCWFK-UHFFFAOYSA-N 0 0 458.440 4.225 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000064931018 521195262 /nfs/dbraw/zinc/19/52/62/521195262.db2.gz MMFWJRRXCZPJCY-GOSISDBHSA-N 0 0 493.010 4.368 50 0 JIAARN CCC(=O)Nc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)cc1 ZINC000033106277 521197192 /nfs/dbraw/zinc/19/71/92/521197192.db2.gz QKEFQFQTZCUBQA-UHFFFAOYSA-N 0 0 466.545 4.003 50 0 JIAARN CCC(=O)Nc1nc2ccc(NC(=O)CN3C(=O)COc4ccc(C(C)(C)C)cc43)cc2s1 ZINC000021883047 521229523 /nfs/dbraw/zinc/22/95/23/521229523.db2.gz SSLPTISCEQHSAC-UHFFFAOYSA-N 0 0 466.563 4.306 50 0 JIAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3Br)co2)s1 ZINC000016047776 521232324 /nfs/dbraw/zinc/23/23/24/521232324.db2.gz GZHPZSYHYJTUJP-UHFFFAOYSA-N 0 0 496.364 4.114 50 0 JIAARN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc1OC ZINC000008843628 521245980 /nfs/dbraw/zinc/24/59/80/521245980.db2.gz NBIGMBDCEJMVQU-IBGZPJMESA-N 0 0 460.328 4.123 50 0 JIAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N32)cc1OC ZINC000002123585 521275022 /nfs/dbraw/zinc/27/50/22/521275022.db2.gz MNRHCCKAGSSPIQ-CUNXSJBXSA-N 0 0 485.540 4.053 50 0 biogenic JIAARN CCCCc1ccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 ZINC000045925571 521278839 /nfs/dbraw/zinc/27/88/39/521278839.db2.gz JMTFLWBUYYGDQL-UHFFFAOYSA-N 0 0 451.527 4.297 50 0 JIAARN CCCCc1ccc(NC(=O)CSc2ccc(N3CCC[C@H](C(=O)NCCC)C3)nn2)cc1 ZINC000065132233 521280089 /nfs/dbraw/zinc/28/00/89/521280089.db2.gz GVYVPCVKOOLCAV-FQEVSTJZSA-N 0 0 469.655 4.293 50 0 JIAARN CCOC(=O)[C@H]1CCCN(C(=O)Cc2cccc(N(Cc3ccc(C)cc3)C(=O)C3CC3)c2)C1 ZINC000037600963 521291078 /nfs/dbraw/zinc/29/10/78/521291078.db2.gz AOLSTHGSAMYOGG-DEOSSOPVSA-N 0 0 462.590 4.282 50 0 JIAARN CCOc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)sc2c1 ZINC000014826416 521302420 /nfs/dbraw/zinc/30/24/20/521302420.db2.gz CLYDQACRWWMZLX-UHFFFAOYSA-N 0 0 481.546 4.013 50 0 JIAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCc4ccc(OC)c(OC)c4)C3)sc2c1 ZINC000020383486 521302806 /nfs/dbraw/zinc/30/28/06/521302806.db2.gz YIMXDRMGHWYHLH-GOSISDBHSA-N 0 0 469.607 4.288 50 0 JIAARN CCOc1ccc2nc(NC(=O)c3c(-c4ccc(Cl)cc4)nc4n3CCS4(=O)=O)sc2c1 ZINC000086069217 521305625 /nfs/dbraw/zinc/30/56/25/521305625.db2.gz CWJODAXKAYDSGD-UHFFFAOYSA-N 0 0 488.978 4.252 50 0 JIAARN CCCCc1nn2c(nc(COC(=O)c3ccc(NC(=O)C(CC)CC)cc3)cc2=O)s1 ZINC000008607894 521313727 /nfs/dbraw/zinc/31/37/27/521313727.db2.gz HQZNCTIEBFETSH-UHFFFAOYSA-N 0 0 456.568 4.225 50 0 JIAARN CCOc1cccc(C(=O)Nc2cc(C(=O)OCc3cc(=O)n4oc(C)cc4n3)ccc2Cl)c1 ZINC000041077247 521326128 /nfs/dbraw/zinc/32/61/28/521326128.db2.gz PNJRKAPKRCMIDJ-UHFFFAOYSA-N 0 0 481.892 4.257 50 0 JIAARN CCCc1cc(=O)[nH]c(SCC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc(F)cc2)n1 ZINC000012464153 521343691 /nfs/dbraw/zinc/34/36/91/521343691.db2.gz INPBKESFIOEVMF-JOCHJYFZSA-N 0 0 480.565 4.340 50 0 JIAARN CCCc1cc(=O)[nH]c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(F)cc2)n1 ZINC000012464159 521343808 /nfs/dbraw/zinc/34/38/08/521343808.db2.gz KMFUGNYTCZXKLB-GOSISDBHSA-N 0 0 456.568 4.393 50 0 JIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000017297247 521392166 /nfs/dbraw/zinc/39/21/66/521392166.db2.gz BUAWZQJWTMPYKW-GASCZTMLSA-N 0 0 478.636 4.461 50 0 JIAARN CCCN(C(=O)CSc1cc(-c2ccccc2)c2ccc(OC)cc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000008687647 521420248 /nfs/dbraw/zinc/42/02/48/521420248.db2.gz IJFMSVGWGKOVOB-IBGZPJMESA-N 0 0 484.643 4.428 50 0 JIAARN CCOC(=O)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1N1CCOCC1 ZINC000016687761 521440518 /nfs/dbraw/zinc/44/05/18/521440518.db2.gz AFWYPSYMIMCCRJ-UHFFFAOYSA-N 0 0 453.322 4.268 50 0 JIAARN CCOc1ccccc1-c1noc(Cn2c3ccccc3c(=O)n(-c3cc(C)cc(C)c3)c2=O)n1 ZINC000064998885 521443122 /nfs/dbraw/zinc/44/31/22/521443122.db2.gz KHGXWYRPDMFAPL-UHFFFAOYSA-N 0 0 468.513 4.266 50 0 JIAARN CCOc1ccccc1C(=O)N1CCC(c2nnc(C(=O)Nc3ccc(OC)cc3)s2)CC1 ZINC000033272850 521451896 /nfs/dbraw/zinc/45/18/96/521451896.db2.gz ZOJCPEUCJQWZEJ-UHFFFAOYSA-N 0 0 466.563 4.218 50 0 JIAARN CCOc1ccccc1CN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021862391 521480723 /nfs/dbraw/zinc/48/07/23/521480723.db2.gz HXZWMFZSZZLCRY-NDEPHWFRSA-N 0 0 468.557 4.166 50 0 JIAARN CCOc1ccccc1CNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000020104992 521497994 /nfs/dbraw/zinc/49/79/94/521497994.db2.gz OUHCJYPXNZDCTK-SVBPBHIXSA-N 0 0 486.568 4.256 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc(Cl)c[nH]2)c1 ZINC000025194965 521499030 /nfs/dbraw/zinc/49/90/30/521499030.db2.gz WDADAJWOEFEYMC-UHFFFAOYSA-N 0 0 496.372 4.332 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)cc1 ZINC000033293204 521501986 /nfs/dbraw/zinc/50/19/86/521501986.db2.gz AOQJGDPUKCDQJX-UHFFFAOYSA-N 0 0 478.892 4.034 50 0 JIAARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(OC)cc3)co2)s1 ZINC000016047871 521503870 /nfs/dbraw/zinc/50/38/70/521503870.db2.gz OAGIIEZEZRQPBV-UHFFFAOYSA-N 0 0 489.575 4.386 50 0 JIAARN CCOc1ccccc1CNS(=O)(=O)c1cc(-c2cnn3c2nc(C)cc3C)ccc1C ZINC000033298078 521505726 /nfs/dbraw/zinc/50/57/26/521505726.db2.gz JWKORXFHTJTXNT-UHFFFAOYSA-N 0 0 450.564 4.199 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1 ZINC000033067886 521506495 /nfs/dbraw/zinc/50/64/95/521506495.db2.gz RKUXTILGELWPKK-UHFFFAOYSA-N 0 0 472.501 4.403 50 0 JIAARN CCOc1ccccc1N(C(=O)C1CCN(S(=O)(=O)CC)CC1)c1nc2ccccc2s1 ZINC000026767946 521508692 /nfs/dbraw/zinc/50/86/92/521508692.db2.gz QYQGVEPCNIHKCJ-UHFFFAOYSA-N 0 0 473.620 4.421 50 0 JIAARN CCOc1ccccc1NC(=O)CN1c2ccccc2[C@]2(SCC(=O)N2c2cccc(F)c2)C1=O ZINC000008595156 521529733 /nfs/dbraw/zinc/52/97/33/521529733.db2.gz SAADRJLKFYUBMF-SANMLTNESA-N 0 0 491.544 4.143 50 0 JIAARN CCCN(CC(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000036072752 521532597 /nfs/dbraw/zinc/53/25/97/521532597.db2.gz SZXMRPFFEBZUDH-UHFFFAOYSA-N 0 0 492.023 4.388 50 0 JIAARN CCOc1ccccc1NC(=O)Cc1csc(SCC(=O)Nc2cccc(NC(C)=O)c2)n1 ZINC000008850137 521533251 /nfs/dbraw/zinc/53/32/51/521533251.db2.gz MCOMJMATHFXHMN-UHFFFAOYSA-N 0 0 484.603 4.412 50 0 JIAARN CCCN(CC(=O)N(Cc1ccco1)Cc1ccccc1)C(=O)c1cc(OC)cc(OC)c1 ZINC000016650203 521533785 /nfs/dbraw/zinc/53/37/85/521533785.db2.gz AGTVJZVCQCFSGY-UHFFFAOYSA-N 0 0 450.535 4.378 50 0 JIAARN CCOc1ccccc1NC(=O)Cn1c2c3cc(C)ccc3n(C)c2c(=O)n(Cc2ccccc2)c1=O ZINC000008591914 521534302 /nfs/dbraw/zinc/53/43/02/521534302.db2.gz RZJZKKUWSYWSEK-UHFFFAOYSA-N 0 0 496.567 4.049 50 0 JIAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)NC(C)C ZINC000036122468 521537013 /nfs/dbraw/zinc/53/70/13/521537013.db2.gz BDPNSAFDINAGLM-IBGZPJMESA-N 0 0 459.612 4.092 50 0 JIAARN CCN1C(=S)N[C@H](c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)C(C(=O)OC(C)C)=C1C ZINC000016609279 521540254 /nfs/dbraw/zinc/54/02/54/521540254.db2.gz ZZPLVKUISSWLEG-XMMPIXPASA-N 0 0 481.618 4.353 50 0 JIAARN CCN1C(=S)N[C@@H](c2cccc(NC(=O)c3cc(OC)cc(OC)c3)c2)C(C(=O)OC(C)C)=C1C ZINC000016609915 521540386 /nfs/dbraw/zinc/54/03/86/521540386.db2.gz ORNRCQINGWCLLG-QHCPKHFHSA-N 0 0 497.617 4.433 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)Nc1ccc(OCc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000033068029 521555564 /nfs/dbraw/zinc/55/55/64/521555564.db2.gz UAZVJRIAIXQYBC-UHFFFAOYSA-N 0 0 472.501 4.403 50 0 JIAARN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000016246822 521578376 /nfs/dbraw/zinc/57/83/76/521578376.db2.gz WYZHVHSVHANQOQ-UHFFFAOYSA-N 0 0 467.522 4.497 50 0 JIAARN CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1CN1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000014968025 521578447 /nfs/dbraw/zinc/57/84/47/521578447.db2.gz ZVPSGGXOYLBHIT-UHFFFAOYSA-N 0 0 469.969 4.195 50 0 JIAARN CCCc1noc(Cn2cnc3c4cc(C)ccc4n(CC(=O)Nc4ccc(C)c(C)c4)c3c2=O)n1 ZINC000033281180 521591046 /nfs/dbraw/zinc/59/10/46/521591046.db2.gz 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CCc1ccc(Oc2cc(N3CCC(C(=O)NCc4ccc(OC)c(OC)c4)CC3)ncn2)cc1 ZINC000033311987 524008662 /nfs/dbraw/zinc/00/86/62/524008662.db2.gz AASFZXUPTLEJSA-UHFFFAOYSA-N 0 0 476.577 4.381 50 0 JIAARN CCc1ccc(S(=O)(=O)N2CCc3c(c(COCc4ccc(Cl)cc4)nn3C)C2)cc1 ZINC000033282764 524012318 /nfs/dbraw/zinc/01/23/18/524012318.db2.gz JZZMJCFTKBEMQS-UHFFFAOYSA-N 0 0 459.999 4.100 50 0 JIAARN COc1ccc(CN(Cc2cc3c(OC)ccc(OC)c3nc2N(C)C)C(=O)[C@H]2CCCO2)cc1 ZINC000014992811 524013428 /nfs/dbraw/zinc/01/34/28/524013428.db2.gz GUJWPIGVCWBZER-XMMPIXPASA-N 0 0 479.577 4.034 50 0 JIAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(Nc4cc(OC)cc(OC)c4)nc23)cc1 ZINC000067240993 524018307 /nfs/dbraw/zinc/01/83/07/524018307.db2.gz DKVGSOVWNDRYPY-UHFFFAOYSA-N 0 0 495.586 4.495 50 0 JIAARN COc1ccc(CN2C(=O)CN(C3CCCCCC3)C(=O)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004099231 524019091 /nfs/dbraw/zinc/01/90/91/524019091.db2.gz RXBJKXXNYLXIGA-AREMUKBSSA-N 0 0 466.578 4.347 50 0 JIAARN COc1ccc(CN2C(=O)c3cc4ccc(OC)cc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021857385 524021486 /nfs/dbraw/zinc/02/14/86/524021486.db2.gz OXSKHKWGBQCEHK-MHZLTWQESA-N 0 0 461.562 4.132 50 0 JIAARN COc1ccc(CN2CN(S(=O)(=O)c3cc(C)ccc3C)c3nc4ccccc4nc32)cc1 ZINC000002368111 524039887 /nfs/dbraw/zinc/03/98/87/524039887.db2.gz IHIDEZNFPCMGAU-UHFFFAOYSA-N 0 0 460.559 4.428 50 0 JIAARN COc1ccc(CN2C[C@@H](C(=O)Nc3cc(-c4nc5ccccc5o4)ccc3OC)CC2=O)cc1 ZINC000021884008 524040324 /nfs/dbraw/zinc/04/03/24/524040324.db2.gz GWJHMAFRGWGVRT-IBGZPJMESA-N 0 0 471.513 4.499 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3ncccc3-c3nc(-c4cccc(F)c4)no3)CC2)cc1 ZINC000049006519 524046641 /nfs/dbraw/zinc/04/66/41/524046641.db2.gz LHRWJURDKIAHFP-UHFFFAOYSA-N 0 0 487.535 4.479 50 0 JIAARN COc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(F)cc2C)cc1OC ZINC000067217451 524053275 /nfs/dbraw/zinc/05/32/75/524053275.db2.gz OXTMGGZECFCEGG-UHFFFAOYSA-N 0 0 499.589 4.320 50 0 JIAARN CCc1ccc2c(c1)cc(S(=O)(=O)c1ccccc1)c(=O)n2CC(=O)NCCC1=CCCCC1 ZINC000033170738 524060423 /nfs/dbraw/zinc/06/04/23/524060423.db2.gz HHJNWXJRPDLNSO-UHFFFAOYSA-N 0 0 478.614 4.403 50 0 JIAARN CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)cc(=O)c2c1 ZINC000008917632 524061302 /nfs/dbraw/zinc/06/13/02/524061302.db2.gz KOJACCKIJGHAIG-MRXNPFEDSA-N 0 0 454.548 4.028 50 0 JIAARN CCc1cccc(C)c1NC(=O)Cn1nc2ccc(SCc3ccc(Cl)cc3)nn2c1=O ZINC000045922687 524063920 /nfs/dbraw/zinc/06/39/20/524063920.db2.gz ZNIFYSMCSMACMP-UHFFFAOYSA-N 0 0 467.982 4.346 50 0 JIAARN COc1ccc(CNC(=O)c2cc(NCc3cccs3)cc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000014753931 524065706 /nfs/dbraw/zinc/06/57/06/524065706.db2.gz YERHRHZKHSRVIY-UHFFFAOYSA-N 0 0 485.631 4.083 50 0 JIAARN COc1ccc(CNC(=O)c2ccc(N3C(=O)N4CCc5c6ccccc6[nH]c5[C@@]4(C)C3=O)cc2)cc1 ZINC000008918443 524066500 /nfs/dbraw/zinc/06/65/00/524066500.db2.gz NJXLMXMOTVSIDO-LJAQVGFWSA-N 0 0 494.551 4.347 50 0 biogenic JIAARN COc1ccc(CNC(=O)c2ccc3[nH]c(CCc4ccc(NC(C)=O)cc4)nc3c2)c(OC)c1 ZINC000033264807 524067067 /nfs/dbraw/zinc/06/70/67/524067067.db2.gz VQBXYCMGKCDACC-UHFFFAOYSA-N 0 0 472.545 4.254 50 0 JIAARN Cc1cccc(-c2ccnc3nc(N4CCN(C(=O)c5ccc(C(C)(C)C)cc5)CC4)nn32)c1 ZINC000023460538 524111364 /nfs/dbraw/zinc/11/13/64/524111364.db2.gz ZEYPKGIHOKLPAS-UHFFFAOYSA-N 0 0 454.578 4.360 50 0 JIAARN Cc1ccc(C)c(N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000014185892 524116425 /nfs/dbraw/zinc/11/64/25/524116425.db2.gz XOCSHTRJSNTPID-UHFFFAOYSA-N 0 0 491.657 4.003 50 0 JIAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCN(C(=O)c4ccco4)CC3)o2)c1 ZINC000044974673 524120346 /nfs/dbraw/zinc/12/03/46/524120346.db2.gz RTJYXKUYXOSPNG-UHFFFAOYSA-N 0 0 495.532 4.177 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)CC2)c1 ZINC000021882443 524121841 /nfs/dbraw/zinc/12/18/41/524121841.db2.gz LEOANPFXRLVAMA-QGZVFWFLSA-N 0 0 464.635 4.008 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4ncnc5c6cccnc6sc54)CC3)CC2)c1 ZINC000016841410 524122178 /nfs/dbraw/zinc/12/21/78/524122178.db2.gz USQYTLSCSJLQKF-UHFFFAOYSA-N 0 0 486.645 4.422 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)c3cc4c(ccn(Cc5cccs5)c4=O)nc3C)CC2)c1 ZINC000008605681 524124363 /nfs/dbraw/zinc/12/43/63/524124363.db2.gz LOXPZHNULKAODC-UHFFFAOYSA-N 0 0 472.614 4.394 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)c4ccc(C)c(C)c4)nc3)CC2)c1 ZINC000035483527 524124699 /nfs/dbraw/zinc/12/46/99/524124699.db2.gz LIQUHHJTKNNVLT-UHFFFAOYSA-N 0 0 463.603 4.110 50 0 JIAARN Cc1cccc(-c2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)n2-c2ccccc2)c1 ZINC000002639592 524125814 /nfs/dbraw/zinc/12/58/14/524125814.db2.gz LOBXHSZMSIUKCL-UHFFFAOYSA-N 0 0 455.543 4.320 50 0 JIAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3ccccc3)CC2)c1 ZINC000064947061 524127143 /nfs/dbraw/zinc/12/71/43/524127143.db2.gz SOTNSHLVARRSFB-UHFFFAOYSA-N 0 0 455.605 4.128 50 0 JIAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000064947064 524128492 /nfs/dbraw/zinc/12/84/92/524128492.db2.gz IZRPUVUWDHIJQE-UHFFFAOYSA-N 0 0 473.595 4.267 50 0 JIAARN Cc1cccc(-c2noc(CSc3nc4cc5c(cc4c(=O)n3Cc3ccco3)OCO5)n2)c1 ZINC000033130607 524134535 /nfs/dbraw/zinc/13/45/35/524134535.db2.gz SWVGDXMRKJOYCE-UHFFFAOYSA-N 0 0 474.498 4.417 50 0 JIAARN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)Nc3ccccc3)c2=O)c1 ZINC000045898689 524138905 /nfs/dbraw/zinc/13/89/05/524138905.db2.gz UNSONKADZTUAJZ-UHFFFAOYSA-N 0 0 498.583 4.228 50 0 JIAARN Cc1cccc(-n2ccnc2SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1C ZINC000012525710 524144727 /nfs/dbraw/zinc/14/47/27/524144727.db2.gz YFUXJWPUJIGJIE-UHFFFAOYSA-N 0 0 470.620 4.004 50 0 JIAARN C[C@@H](C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)N1CCN(c2ccccn2)CC1 ZINC000024572625 524148934 /nfs/dbraw/zinc/14/89/34/524148934.db2.gz OUMTYQOAGYUPIG-PGRDOPGGSA-N 0 0 463.969 4.216 50 0 JIAARN COc1cccc([C@H](CNC(=O)CN2CCc3ccccc32)c2c[nH]c3ccccc32)c1OC ZINC000048290553 524158324 /nfs/dbraw/zinc/15/83/24/524158324.db2.gz DGCQHNGCDQZCIQ-QHCPKHFHSA-N 0 0 455.558 4.496 50 0 JIAARN COc1ccc(Cc2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)s2)cc1OC ZINC000009190912 524168366 /nfs/dbraw/zinc/16/83/66/524168366.db2.gz LJNUOBUBEUSELF-OAHLLOKOSA-N 0 0 486.981 4.100 50 0 JIAARN COc1cccc([C@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C(=O)NCc2ccccc2)c1OC ZINC000036054296 524179133 /nfs/dbraw/zinc/17/91/33/524179133.db2.gz CRWFCGVYKMELFH-RPWUZVMVSA-N 0 0 458.558 4.184 50 0 JIAARN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)NCc3cccc(Br)c3)CC2)s1 ZINC000008912663 524222272 /nfs/dbraw/zinc/22/22/72/524222272.db2.gz LBLAZMDCCXWIJC-UHFFFAOYSA-N 0 0 474.428 4.241 50 0 JIAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)cc2)C1 ZINC000017245496 524244318 /nfs/dbraw/zinc/24/43/18/524244318.db2.gz VWHDHBODTGSGDP-BGYRXZFFSA-N 0 0 492.663 4.320 50 0 JIAARN COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 ZINC000065003235 524248854 /nfs/dbraw/zinc/24/88/54/524248854.db2.gz FKOAWJRSMCLILJ-UHFFFAOYSA-N 0 0 456.951 4.030 50 0 JIAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064931071 524249697 /nfs/dbraw/zinc/24/96/97/524249697.db2.gz MQDPHWAXKHBTLD-HNNXBMFYSA-N 0 0 496.973 4.117 50 0 JIAARN COc1ccc(Cn2c(=O)c3sccc3n(Cc3nc(-c4ccccc4Cl)no3)c2=O)cc1 ZINC000065112739 524255713 /nfs/dbraw/zinc/25/57/13/524255713.db2.gz BJXZOAVHJSFIMP-UHFFFAOYSA-N 0 0 480.933 4.033 50 0 JIAARN COc1ccc(Cn2c(N)c(C(=O)NCCc3ccccc3)c3nc4ccccc4nc32)cc1OC ZINC000002403315 524257983 /nfs/dbraw/zinc/25/79/83/524257983.db2.gz ZTPQIEJPZXOSAP-UHFFFAOYSA-N 0 0 481.556 4.205 50 0 JIAARN COc1ccc(Cn2cnc3c4cc(F)ccc4n(CC(=O)Nc4ccccc4C)c3c2=O)cc1 ZINC000035399872 524264353 /nfs/dbraw/zinc/26/43/53/524264353.db2.gz SWFSWANTEIQOPP-UHFFFAOYSA-N 0 0 470.504 4.494 50 0 JIAARN COc1ccc(Cn2cnc3c4cc(F)ccc4n(CC(=O)NCc4ccc(C)cc4)c3c2=O)cc1 ZINC000035399842 524264470 /nfs/dbraw/zinc/26/44/70/524264470.db2.gz KPWCNZUOPFPKHW-UHFFFAOYSA-N 0 0 484.531 4.172 50 0 JIAARN COc1ccccc1-c1ccc(N2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)nn1 ZINC000022492963 524269658 /nfs/dbraw/zinc/26/96/58/524269658.db2.gz GSNMTYLJLOGAPU-UHFFFAOYSA-N 0 0 455.562 4.209 50 0 JIAARN COc1ccccc1-c1csc2[nH]c(CN(C[C@H](O)COc3ccccc3)C3CC3)nc(=O)c12 ZINC000036207144 524276321 /nfs/dbraw/zinc/27/63/21/524276321.db2.gz JMLOTPOYPGYBJV-SFHVURJKSA-N 0 0 477.586 4.065 50 0 JIAARN Cc1cccc(C)c1NC(=O)Cn1c2c3cccnc3sc2c(=O)n(CCc2ccccc2)c1=O ZINC000064942024 524283767 /nfs/dbraw/zinc/28/37/67/524283767.db2.gz NBIBUIUHVYIMQN-UHFFFAOYSA-N 0 0 484.581 4.271 50 0 JIAARN Cc1cccc(C)c1NC(=O)Cn1c(=O)c(CCO)c(C)nc1-c1ccc(C(F)(F)F)cc1 ZINC000067301268 524285013 /nfs/dbraw/zinc/28/50/13/524285013.db2.gz IMFPKVGPQFUDRD-UHFFFAOYSA-N 0 0 459.468 4.028 50 0 JIAARN Cc1cccc(C)c1NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC000020108319 524296556 /nfs/dbraw/zinc/29/65/56/524296556.db2.gz FGAZJQZDPDKVSU-RBBKRZOGSA-N 0 0 451.567 4.499 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1C ZINC000064940835 524318417 /nfs/dbraw/zinc/31/84/17/524318417.db2.gz USMDEWKJZJPNIH-SFHVURJKSA-N 0 0 474.583 4.381 50 0 JIAARN Cc1cccc(CC(=O)N2CCC(c3nnc(C(=O)Nc4ccc(F)cc4F)s3)CC2)c1 ZINC000033272988 524338432 /nfs/dbraw/zinc/33/84/32/524338432.db2.gz PUWUMISZWHJNCZ-UHFFFAOYSA-N 0 0 456.518 4.326 50 0 JIAARN COc1ccccc1C(=O)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C1CC1 ZINC000036313265 524340135 /nfs/dbraw/zinc/34/01/35/524340135.db2.gz OVSSQORUOCAKQN-UHFFFAOYSA-N 0 0 451.498 4.131 50 0 JIAARN COc1ccccc1C(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000046123454 524340962 /nfs/dbraw/zinc/34/09/62/524340962.db2.gz ZZZSYNMRNVNNNG-CQSZACIVSA-N 0 0 456.955 4.472 50 0 JIAARN Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)COc4ccc(Cl)cc4)s3)CC2=O)c1 ZINC000013944430 524412704 /nfs/dbraw/zinc/41/27/04/524412704.db2.gz LZFXPXSNMZTSOO-HNNXBMFYSA-N 0 0 456.955 4.346 50 0 JIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(C)C)S(=O)(=O)c2ccccc2)o1 ZINC000033664283 524413965 /nfs/dbraw/zinc/41/39/65/524413965.db2.gz QOPNZNMOQNVGFC-UHFFFAOYSA-N 0 0 454.592 4.259 50 0 JIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC2CC2)S(=O)(=O)c2ccccc2)o1 ZINC000033490727 524415888 /nfs/dbraw/zinc/41/58/88/524415888.db2.gz FKYZJJRWMOEYET-UHFFFAOYSA-N 0 0 466.603 4.260 50 0 JIAARN C[C@@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)Cn1cnc2onc(-c3cccc(F)c3)c2c1=O ZINC000033069111 524418898 /nfs/dbraw/zinc/41/88/98/524418898.db2.gz CTHMXVJIFRRHHB-HDOKVFJDSA-N 0 0 464.541 4.302 50 0 JIAARN Cc1cccc(CNC(=O)c2ccccc2CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)c1 ZINC000035459097 524430645 /nfs/dbraw/zinc/43/06/45/524430645.db2.gz PKWZPKDSYNDYRS-VWLOTQADSA-N 0 0 453.542 4.076 50 0 JIAARN C[C@H]1CCc2c(sc(NC(=O)CSc3nnc(Nc4ccccc4F)s3)c2C(N)=O)C1 ZINC000016097208 524437548 /nfs/dbraw/zinc/43/75/48/524437548.db2.gz KXBUYLIXCWQLEQ-JTQLQIEISA-N 0 0 477.612 4.437 50 0 JIAARN COc1ccc(N2C[C@H](C(=O)N3CCC(c4noc(-c5ccc(Cl)cc5)n4)CC3)CC2=O)cc1 ZINC000033139592 524445388 /nfs/dbraw/zinc/44/53/88/524445388.db2.gz ZUHAFJPXNCNSGS-GOSISDBHSA-N 0 0 480.952 4.158 50 0 JIAARN COc1ccccc1CN1CCc2nc(SCC(=O)Nc3ccc(C)c(C)c3)[nH]c(=O)c2C1 ZINC000020467759 524454272 /nfs/dbraw/zinc/45/42/72/524454272.db2.gz PAICWXUFULCYII-UHFFFAOYSA-N 0 0 464.591 4.097 50 0 JIAARN Cc1cc(C)cc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)c1 ZINC000046124488 524457254 /nfs/dbraw/zinc/45/72/54/524457254.db2.gz YZSWQLNOBIJGPW-MRXNPFEDSA-N 0 0 474.583 4.115 50 0 JIAARN Cc1ccc(CN2CCN(C3CCN(S(=O)(=O)c4ccc(CC(C)C)cc4)CC3)C2=O)cc1 ZINC000064950743 524459385 /nfs/dbraw/zinc/45/93/85/524459385.db2.gz CAUIECNATYZARR-UHFFFAOYSA-N 0 0 469.651 4.284 50 0 JIAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccccc1F ZINC000021854470 524480134 /nfs/dbraw/zinc/48/01/34/524480134.db2.gz HKSGOKVJKHGTSZ-LJAQVGFWSA-N 0 0 498.558 4.429 50 0 JIAARN COc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000016212578 524490471 /nfs/dbraw/zinc/49/04/71/524490471.db2.gz ZFOTUJSXKQTUNX-UHFFFAOYSA-N 0 0 466.987 4.319 50 0 JIAARN COc1ccc(NC(=O)CN2C(=O)COc3ccc(C(=O)COc4ccc(C)cc4Cl)cc32)cc1 ZINC000037512330 524492240 /nfs/dbraw/zinc/49/22/40/524492240.db2.gz JUKBQNILEIZCAC-UHFFFAOYSA-N 0 0 494.931 4.283 50 0 JIAARN Cc1cccc(Cn2nnc(-c3nnc(SCc4ccc(F)cc4)n3C[C@@H]3CCCO3)c2N)c1 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Cc1cccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3-c3ccccc3)CC2)c1C ZINC000022806716 524592260 /nfs/dbraw/zinc/59/22/60/524592260.db2.gz QFLWTZSIXVXQBH-UHFFFAOYSA-N 0 0 456.590 4.165 50 0 JIAARN COc1ccc(NC(=O)[C@H](C)n2c3ccccc3nc(-c3ccccc3NC(C)=O)c2=O)cc1OC ZINC000021789409 524609855 /nfs/dbraw/zinc/60/98/55/524609855.db2.gz RDFXNSVRMMMOJT-INIZCTEOSA-N 0 0 486.528 4.239 50 0 JIAARN COc1ccccc1NC(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3F)s2)CC1 ZINC000033273150 524609863 /nfs/dbraw/zinc/60/98/63/524609863.db2.gz NSJMJJZALBJEKU-UHFFFAOYSA-N 0 0 455.515 4.350 50 0 JIAARN COc1ccccc1NC(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033106811 524611157 /nfs/dbraw/zinc/61/11/57/524611157.db2.gz YNYBGUUZEUOQBQ-CQSZACIVSA-N 0 0 455.515 4.350 50 0 JIAARN COc1ccccc1NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000004759791 524621916 /nfs/dbraw/zinc/62/19/16/524621916.db2.gz LMHRLTPISQOUCR-FGZHOGPDSA-N 0 0 452.532 4.323 50 0 JIAARN COc1ccccc1NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 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COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCC(C)C)c2)cc1Br ZINC000012508209 524694581 /nfs/dbraw/zinc/69/45/81/524694581.db2.gz CSUHZTXHCMSALU-UHFFFAOYSA-N 0 0 455.374 4.034 50 0 JIAARN C[C@@H](CNC(=O)c1ccccc1C(F)(F)F)Oc1cccc(CN(C)Cc2cnn(C)c2)c1 ZINC000014994484 524724319 /nfs/dbraw/zinc/72/43/19/524724319.db2.gz HDOMTVGBTPNHJO-KRWDZBQOSA-N 0 0 460.500 4.268 50 0 JIAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)CC1 ZINC000008591017 524734417 /nfs/dbraw/zinc/73/44/17/524734417.db2.gz LIGXTZMZRBBPOP-GOSISDBHSA-N 0 0 488.053 4.237 50 0 JIAARN C[C@H]1COC[C@H](C)N1c1ncc(-c2nnnn2-c2ccccc2)c(-c2cccc(C(F)(F)F)c2)n1 ZINC000016609674 524736857 /nfs/dbraw/zinc/73/68/57/524736857.db2.gz XZRGLBCXRJAJDU-HOTGVXAUSA-N 0 0 481.482 4.419 50 0 JIAARN Cc1ccc(Cn2c(=O)c(C(=O)N[C@H](C)c3ccccc3)nn(-c3ccc(C(C)C)cc3)c2=O)cc1 ZINC000036087869 524762549 /nfs/dbraw/zinc/76/25/49/524762549.db2.gz QRZIWZCWNBFXGE-OAQYLSRUSA-N 0 0 482.584 4.365 50 0 JIAARN Cc1ccc(Cn2c(=O)c3sccc3nc2N2CCC(C(=O)NCc3cccs3)CC2)cc1 ZINC000033302456 524765233 /nfs/dbraw/zinc/76/52/33/524765233.db2.gz DFNQEJOFJDLLMY-UHFFFAOYSA-N 0 0 478.643 4.409 50 0 JIAARN Cc1cccc(OCc2nc(CN(CCN3CCOCC3)C(=O)c3ccccc3F)cs2)c1 ZINC000036106316 524768154 /nfs/dbraw/zinc/76/81/54/524768154.db2.gz UYEIKQHAFPQVCY-UHFFFAOYSA-N 0 0 469.582 4.144 50 0 JIAARN Cc1cccc(OCc2nc(CN(CCN3CCOCC3)C(=O)c3ccccc3F)cs2)c1C ZINC000036107139 524768257 /nfs/dbraw/zinc/76/82/57/524768257.db2.gz XQCSPEDRJJFAMG-UHFFFAOYSA-N 0 0 483.609 4.453 50 0 JIAARN Cc1ccc(Cn2c3cc(C)ccc3n3nc(C(=O)NCc4ccc(Cl)cc4)nc3c2=O)cc1 ZINC000033274282 524768659 /nfs/dbraw/zinc/76/86/59/524768659.db2.gz WNAAMDDIZBHOMU-UHFFFAOYSA-N 0 0 471.948 4.293 50 0 JIAARN Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)C2CCOCC2)c1 ZINC000023271449 524785732 /nfs/dbraw/zinc/78/57/32/524785732.db2.gz WHIRUZVJDHWPOE-UHFFFAOYSA-N 0 0 458.580 4.327 50 0 JIAARN Cc1cccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccccc2Cl)c1 ZINC000064972377 524798418 /nfs/dbraw/zinc/79/84/18/524798418.db2.gz GMEFNTXIYQWNPB-QHCPKHFHSA-N 0 0 454.979 4.080 50 0 JIAARN Cc1cccc(Sc2nccnc2N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)c1 ZINC000033288705 524811402 /nfs/dbraw/zinc/81/14/02/524811402.db2.gz FJKZKUGBBSAATL-IBGZPJMESA-N 0 0 462.575 4.198 50 0 JIAARN COc1ccc(OC)c(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000021858282 524824139 /nfs/dbraw/zinc/82/41/39/524824139.db2.gz ZVSSSJFQTZPPAA-LJAQVGFWSA-N 0 0 483.568 4.390 50 0 JIAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3nccnc3Oc3ccc(C)cc3)CC2)c1 ZINC000033141943 524831223 /nfs/dbraw/zinc/83/12/23/524831223.db2.gz RDIYXUHWHNEGRB-UHFFFAOYSA-N 0 0 462.550 4.127 50 0 JIAARN COc1ccc(OC)c(CNC(=O)c2c3c(cn(-c4ccc(C)cc4)c2=O)C(=O)CC(C)(C)C3)c1 ZINC000065000438 524833982 /nfs/dbraw/zinc/83/39/82/524833982.db2.gz QDJFEHSCUGXWTC-UHFFFAOYSA-N 0 0 474.557 4.248 50 0 JIAARN COc1ccc(OC)c(CNC(=O)c2ccc3[nH]c(CCc4ccc(NC(C)=O)cc4)nc3c2)c1 ZINC000033264808 524834683 /nfs/dbraw/zinc/83/46/83/524834683.db2.gz 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/nfs/dbraw/zinc/50/27/65/525502765.db2.gz APNWYYQZLZDWRS-UHFFFAOYSA-N 0 0 466.481 4.374 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c2cccc(Br)c2)cc1 ZINC000002982702 525507944 /nfs/dbraw/zinc/50/79/44/525507944.db2.gz WKEDETYMEKEZQR-CSODHUTKSA-N 0 0 477.424 4.258 50 0 JIAARN Cc1c(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)o2)nnn1-c1ccc(F)cc1 ZINC000008611599 525512096 /nfs/dbraw/zinc/51/20/96/525512096.db2.gz CJYYCCWPBPECCS-UHFFFAOYSA-N 0 0 489.330 4.258 50 0 JIAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1nnc(C34CC5CC(CC(C5)C3)C4)s1)C2=O ZINC000016695651 525514046 /nfs/dbraw/zinc/51/40/46/525514046.db2.gz BMENCYGIYOFQOW-RKHJSBOJSA-N 0 0 485.654 4.081 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3F)s2)c(C)c1 ZINC000064941537 525533572 /nfs/dbraw/zinc/53/35/72/525533572.db2.gz DOTSOHNQKWLGPV-QGZVFWFLSA-N 0 0 478.546 4.211 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(Cc2cccnc2)c2nc3ccccc3s2)cc1 ZINC000008842268 525534800 /nfs/dbraw/zinc/53/48/00/525534800.db2.gz DYZIVBVUYNQMPH-QFIPXVFZSA-N 0 0 492.626 4.386 50 0 JIAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1nnc(NC(=O)c2cccc3ccccc32)s1 ZINC000020486310 525536027 /nfs/dbraw/zinc/53/60/27/525536027.db2.gz FVCAWRNADXWWGR-CQSZACIVSA-N 0 0 450.545 4.084 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(F)cc3F)Oc3cc(C)ccc32)cc1 ZINC000064986051 525555522 /nfs/dbraw/zinc/55/55/22/525555522.db2.gz QSCRYCCLLKAPDM-QFIPXVFZSA-N 0 0 458.486 4.177 50 0 JIAARN CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000002147479 525589900 /nfs/dbraw/zinc/58/99/00/525589900.db2.gz YLPQKVUENIXIQH-NRFANRHFSA-N 0 0 467.543 4.235 50 0 biogenic JIAARN CSCC[C@H](NC(=O)c1ccc(OCc2csc(C)n2)cc1)c1nnc2ccccn21 ZINC000014250150 525591295 /nfs/dbraw/zinc/59/12/95/525591295.db2.gz VOWOPGXEKPXHIP-IBGZPJMESA-N 0 0 453.593 4.297 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC([NH+]3CCCCC3)CC2)cc1C ZINC000033254025 525594143 /nfs/dbraw/zinc/59/41/43/525594143.db2.gz LRKVFHZAPRQUJG-UHFFFAOYSA-N 0 0 471.623 4.257 50 0 JIAARN COc1ccc2c(c1)c(NC(C)=O)c1n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCC(C)C)C1=O ZINC000021865986 525601747 /nfs/dbraw/zinc/60/17/47/525601747.db2.gz AJJGURYKXJTORW-MHZLTWQESA-N 0 0 482.625 4.318 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC([NH+]4CCCCC4)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000033253600 525605606 /nfs/dbraw/zinc/60/56/06/525605606.db2.gz NPFYGOZOFXSFKZ-UHFFFAOYSA-N 0 0 471.623 4.257 50 0 JIAARN Cc1c(C(=O)NCCCN2CCCC2=O)sc2ncnc(N[C@H]3CCCc4ccccc43)c12 ZINC000012454295 525609317 /nfs/dbraw/zinc/60/93/17/525609317.db2.gz WLOVTRFYZXVITR-IBGZPJMESA-N 0 0 463.607 4.232 50 0 JIAARN C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)nc(CCc2ccccc2)n3C)C1=O ZINC000033261523 525614960 /nfs/dbraw/zinc/61/49/60/525614960.db2.gz HQUIIKWIOJGQGA-SFHVURJKSA-N 0 0 454.530 4.111 50 0 JIAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000040142591 525626018 /nfs/dbraw/zinc/62/60/18/525626018.db2.gz PCORKZRFSWTQTQ-JOCHJYFZSA-N 0 0 458.624 4.435 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2SCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000002601814 525634710 /nfs/dbraw/zinc/63/47/10/525634710.db2.gz JYSVNFISOUWIPY-SFHVURJKSA-N 0 0 490.578 4.009 50 0 aggregator JIAARN Cc1ccc(S(=O)(=O)n2nc(-c3ccco3)nc2NCc2cccc(Br)c2)cc1 ZINC000014611015 525637086 /nfs/dbraw/zinc/63/70/86/525637086.db2.gz INHLDKUAOQMLMY-UHFFFAOYSA-N 0 0 473.352 4.458 50 0 JIAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N(C)Cc4c(F)cccc4Cl)C3=O)ccc2c1 ZINC000016046206 525642112 /nfs/dbraw/zinc/64/21/12/525642112.db2.gz OQCMIVABBGURLG-VWLOTQADSA-N 0 0 483.927 4.067 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC[C@H]1CCCO1)N(Cc1cccc(Cl)c1)C3=O ZINC000021859763 525646348 /nfs/dbraw/zinc/64/63/48/525646348.db2.gz YEMMJQPLZSLRDS-QFQXNSOFSA-N 0 0 481.980 4.013 50 0 JIAARN COc1ccc2ccccc2c1CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NC2CC2)c1=O ZINC000014992449 525652995 /nfs/dbraw/zinc/65/29/95/525652995.db2.gz MJTONLZFZOMHHE-UHFFFAOYSA-N 0 0 473.573 4.338 50 0 JIAARN COc1ccc2nc(NC(=O)c3cc(S(=O)(=O)N(C)C(C)C)ccc3Cl)sc2c1 ZINC000029118435 525674883 /nfs/dbraw/zinc/67/48/83/525674883.db2.gz BZFNPBBQWNESRL-UHFFFAOYSA-N 0 0 453.973 4.240 50 0 JIAARN COc1ccc2nc(NC(=O)c3nc(S(=O)(=O)Cc4cccc(C)c4)ncc3Cl)sc2c1 ZINC000008613905 525675686 /nfs/dbraw/zinc/67/56/86/525675686.db2.gz OGJYXMBMNSHUKV-UHFFFAOYSA-N 0 0 488.978 4.283 50 0 JIAARN COc1cccc(-c2cc3c(N4CCC[C@@H](C(=O)NCc5ccc(F)cc5F)C4)nccn3n2)c1 ZINC000033266459 525709131 /nfs/dbraw/zinc/70/91/31/525709131.db2.gz CURJINPTMIEAIH-LJQANCHMSA-N 0 0 477.515 4.216 50 0 JIAARN COc1cccc(-c2cc3c(N4CCC[C@@H](C(=O)NCc5ccccc5F)C4)nccn3n2)c1 ZINC000033266455 525709981 /nfs/dbraw/zinc/70/99/81/525709981.db2.gz FDIKHCDSVOBBDW-HXUWFJFHSA-N 0 0 459.525 4.077 50 0 JIAARN Cc1c(CNC(=O)c2cnn3c2N[C@H](c2ccc(Br)cc2)C[C@@H]3C(F)(F)F)cnn1C ZINC000012468353 525722274 /nfs/dbraw/zinc/72/22/74/525722274.db2.gz FYPSNNHDWCJWJD-DLBZAZTESA-N 0 0 497.319 4.278 50 0 JIAARN COc1cccc(-c2nc(Cn3nnc(C(=O)Nc4cc(F)ccc4C)c3C)c(C)o2)c1OC ZINC000064967589 525726439 /nfs/dbraw/zinc/72/64/39/525726439.db2.gz KOJHFOAYBFOXKY-UHFFFAOYSA-N 0 0 465.485 4.315 50 0 JIAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000033173449 525731887 /nfs/dbraw/zinc/73/18/87/525731887.db2.gz MSHKTUYJTHEWBY-UHFFFAOYSA-N 0 0 469.460 4.319 50 0 JIAARN Cc1c(Cc2ccccc2)c(=O)nc2s/c(=C\c3cccc(Oc4ccccc4)c3)c(=O)n21 ZINC000027023115 525738778 /nfs/dbraw/zinc/73/87/78/525738778.db2.gz IOGITGKBXPUFFI-ULJHMMPZSA-N 0 0 452.535 4.355 50 0 JIAARN Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3c(F)cccc3F)n2)cc1NC(=O)C(C)C ZINC000016649269 525745746 /nfs/dbraw/zinc/74/57/46/525745746.db2.gz HFWJNWTUTYLHBK-OAHLLOKOSA-N 0 0 454.477 4.291 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)N1CCN(Cc2nc3cc(C(=O)N4CCCC4)ccc3n2C)CC1 ZINC000033275643 525771099 /nfs/dbraw/zinc/77/10/99/525771099.db2.gz VGOCVQHDYMZXIE-UHFFFAOYSA-N 0 0 495.027 4.121 50 0 JIAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](c2nnc(C(=O)Nc3cccc(F)c3)s2)C1 ZINC000046124470 525782450 /nfs/dbraw/zinc/78/24/50/525782450.db2.gz LVHBWYYPJAHDMX-AWEZNQCLSA-N 0 0 495.001 4.460 50 0 JIAARN Cc1ccc(-c2csc3c2nc(SCC(=O)Nc2ccc4c(c2)OCO4)n(C)c3=O)cc1 ZINC000016846105 525785278 /nfs/dbraw/zinc/78/52/78/525785278.db2.gz XFELLENXJXSEGW-UHFFFAOYSA-N 0 0 465.556 4.430 50 0 JIAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCCOc2cccc3c2OC(C)(C)C3)cc1 ZINC000040087431 525787124 /nfs/dbraw/zinc/78/71/24/525787124.db2.gz LRIRLRDINZPJOR-UHFFFAOYSA-N 0 0 452.580 4.215 50 0 JIAARN Cc1ccc(-c2csc3ncn(CC(=O)N4c5ccccc5NC(=O)C[C@H]4C)c(=O)c23)cc1 ZINC000008736187 525787730 /nfs/dbraw/zinc/78/77/30/525787730.db2.gz OLPOFHKERCMZTH-MRXNPFEDSA-N 0 0 458.543 4.197 50 0 JIAARN Cc1ccc(-c2nc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)[nH]c2-c2ccc(C)cc2)cc1 ZINC000008671316 525818444 /nfs/dbraw/zinc/81/84/44/525818444.db2.gz HHFSBZJZAZOLMF-FQEVSTJZSA-N 0 0 469.632 4.098 50 0 JIAARN Cc1ccc([C@@H]2Cc3c(C(=O)N(C)C[C@H]4COCCO4)c(=O)cc(C)n3-c3ccccc3S2)s1 ZINC000014994772 525860950 /nfs/dbraw/zinc/86/09/50/525860950.db2.gz KBKOUQAOJSZGGJ-UUOWRZLLSA-N 0 0 496.654 4.393 50 0 JIAARN Cc1ccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)c5c(F)cccc5F)CC4)n23)cc1 ZINC000034700653 525861929 /nfs/dbraw/zinc/86/19/29/525861929.db2.gz MQCNZHUHEASTMN-UHFFFAOYSA-N 0 0 484.510 4.494 50 0 JIAARN COc1cccc(CC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)c1 ZINC000046122983 525865495 /nfs/dbraw/zinc/86/54/95/525865495.db2.gz ZMTJDBNRPDABOD-GOSISDBHSA-N 0 0 450.564 4.056 50 0 JIAARN COc1cccc(CC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000064930175 525868677 /nfs/dbraw/zinc/86/86/77/525868677.db2.gz YKAQJTQDMLOMJQ-SFHVURJKSA-N 0 0 456.955 4.359 50 0 JIAARN COc1cccc(CC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)c1 ZINC000046123358 525868799 /nfs/dbraw/zinc/86/87/99/525868799.db2.gz ODBAYLATZPFQCJ-INIZCTEOSA-N 0 0 470.982 4.401 50 0 JIAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000033086745 525872395 /nfs/dbraw/zinc/87/23/95/525872395.db2.gz HXNPNJXJNMXWDA-UHFFFAOYSA-N 0 0 484.553 4.101 50 0 JIAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000033276243 525875188 /nfs/dbraw/zinc/87/51/88/525875188.db2.gz IVKDGONWQHHVNO-GFCCVEGCSA-N 0 0 478.933 4.020 50 0 JIAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O ZINC000002619822 525893726 /nfs/dbraw/zinc/89/37/26/525893726.db2.gz ALOKJGJIYYQXCS-VWLOTQADSA-N 0 0 492.373 4.122 50 0 JIAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)NCCc3cccs3)C2)cc1 ZINC000033175429 525895968 /nfs/dbraw/zinc/89/59/68/525895968.db2.gz YNHUZQGDNLWXRE-GOSISDBHSA-N 0 0 478.643 4.392 50 0 JIAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(Cc2cc3c(cc2Br)OCCO3)C1=O ZINC000008645000 525896212 /nfs/dbraw/zinc/89/62/12/525896212.db2.gz VWBDIXOXJWOMKD-QHCPKHFHSA-N 0 0 467.319 4.341 50 0 JIAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCCc3cccs3)C2)cc1 ZINC000033175431 525896443 /nfs/dbraw/zinc/89/64/43/525896443.db2.gz YNHUZQGDNLWXRE-SFHVURJKSA-N 0 0 478.643 4.392 50 0 JIAARN Cc1ccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc3cccnc32)cc1 ZINC000033280791 525896965 /nfs/dbraw/zinc/89/69/65/525896965.db2.gz RHFSVINBRHFIOD-UHFFFAOYSA-N 0 0 489.645 4.359 50 0 JIAARN Cc1ccc(-n2c3nc(SCC(=O)NC4CCCCC4)n(C)c(=O)c3sc2=S)cc1 ZINC000017052326 525903055 /nfs/dbraw/zinc/90/30/55/525903055.db2.gz KGSXPNPDINMZSB-UHFFFAOYSA-N 0 0 460.650 4.365 50 0 JIAARN Cc1ccc(-n2cc3c(n2)ncnc3N2CCC[C@@H](C(=O)NCc3ccc(F)cc3Cl)C2)cc1 ZINC000033273759 525909672 /nfs/dbraw/zinc/90/96/72/525909672.db2.gz SJRIXDNZNCKODI-GOSISDBHSA-N 0 0 478.959 4.449 50 0 JIAARN Cc1ccc(-n2cc3c(n2)ncnc3N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC000033273691 525909760 /nfs/dbraw/zinc/90/97/60/525909760.db2.gz HVJGKLDDTFDNLM-UHFFFAOYSA-N 0 0 460.969 4.310 50 0 JIAARN COc1cccc(CN2C(=O)c3cc(C4CC4)nn3C[C@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021852505 525928062 /nfs/dbraw/zinc/92/80/62/525928062.db2.gz WEIPIEYXIAHURL-AREMUKBSSA-N 0 0 450.583 4.023 50 0 JIAARN COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)c1OC ZINC000021860797 525930198 /nfs/dbraw/zinc/93/01/98/525930198.db2.gz GQNWYEPEBMVLDC-IISLOPLUSA-N 0 0 490.604 4.163 50 0 JIAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000012310224 525934192 /nfs/dbraw/zinc/93/41/92/525934192.db2.gz PNGSATSWDOWDJB-UHFFFAOYSA-N 0 0 489.583 4.077 50 0 JIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCC[C@@H](C(=O)NCCc3ccccc3)C1)nnc2C ZINC000008594534 525935056 /nfs/dbraw/zinc/93/50/56/525935056.db2.gz SZJZGOSNNAKQIA-HSZRJFAPSA-N 0 0 468.605 4.316 50 0 JIAARN C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000027745342 525936774 /nfs/dbraw/zinc/93/67/74/525936774.db2.gz CFOHFLYPTMWXJU-JXFKEZNVSA-N 0 0 475.513 4.208 50 0 JIAARN Cc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCc2ccccc2)=C(C)N=3)cc1 ZINC000002671601 525965708 /nfs/dbraw/zinc/96/57/08/525965708.db2.gz ZWTVUJRERMGXCL-WLGHQHAYSA-N 0 0 486.618 4.349 50 0 JIAARN COc1cccc(CNC(=O)CSc2nnc3c4ccccc4nc(-c4ccccc4)n23)c1 ZINC000021726968 525973848 /nfs/dbraw/zinc/97/38/48/525973848.db2.gz VMKSFLKLJARKOB-UHFFFAOYSA-N 0 0 455.543 4.362 50 0 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COc1cccc(NC(=O)[C@@H](C)n2c3ccccc3nc(-c3ccccc3NC(C)=O)c2=O)c1 ZINC000021789398 526196027 /nfs/dbraw/zinc/19/60/27/526196027.db2.gz LJOYRFMROKGYMH-MRXNPFEDSA-N 0 0 456.502 4.230 50 0 JIAARN COc1cccc(NC(=O)c2ccc([C@H]3Nc4cc(C(F)(F)F)ccc4S(=O)(=O)N3)cc2)c1 ZINC000033063370 526202533 /nfs/dbraw/zinc/20/25/33/526202533.db2.gz KCZYRLAVGYQPKW-FQEVSTJZSA-N 0 0 477.464 4.369 50 0 JIAARN COc1cccc(NC(=O)c2sc3[nH]c(-c4cc5ccccc5oc4=O)nc(=O)c3c2C)c1 ZINC000020489104 526206398 /nfs/dbraw/zinc/20/63/98/526206398.db2.gz YMVCYGHYPAZUTM-UHFFFAOYSA-N 0 0 459.483 4.327 50 0 JIAARN Cc1ccc2c(c1)c(-n1cccc1)c1n2C[C@](C)(C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C1=O ZINC000033249550 526215785 /nfs/dbraw/zinc/21/57/85/526215785.db2.gz CTZMHKSSLWAWPF-LYZGTLIUSA-N 0 0 474.605 4.193 50 0 JIAARN Cc1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)c1nc(C(=O)Nc3cccc(F)c3)nn12 ZINC000033274330 526218580 /nfs/dbraw/zinc/21/85/80/526218580.db2.gz TUSCVAHNBUHNGR-UHFFFAOYSA-N 0 0 461.884 4.446 50 0 JIAARN CSc1nn(CC(=O)Nc2ccc(C)c(F)c2)c(N)c1-c1nc(-c2ccc(C)cc2)no1 ZINC000046914442 526224616 /nfs/dbraw/zinc/22/46/16/526224616.db2.gz RTOCSPVMNBOORK-UHFFFAOYSA-N 0 0 452.515 4.299 50 0 JIAARN CSc1nn(CC(=O)Nc2ccc(C(C)C)cc2)c(N)c1S(=O)(=O)c1ccc(C)cc1 ZINC000045986780 526225323 /nfs/dbraw/zinc/22/53/23/526225323.db2.gz ZGTKPEXCTXLOEJ-UHFFFAOYSA-N 0 0 458.609 4.091 50 0 JIAARN CSc1nn(CC(=O)Nc2cccc(C(C)=O)c2)c(N)c1-c1nc(-c2cccc(C)c2)no1 ZINC000045895471 526225903 /nfs/dbraw/zinc/22/59/03/526225903.db2.gz AJAWPEYYUZGCKJ-UHFFFAOYSA-N 0 0 462.535 4.054 50 0 JIAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)C(C)C)c1 ZINC000036117473 526236502 /nfs/dbraw/zinc/23/65/02/526236502.db2.gz SRHDAPXGQOMHTA-QFIPXVFZSA-N 0 0 456.608 4.156 50 0 JIAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)C(C)C)c1 ZINC000036117145 526237039 /nfs/dbraw/zinc/23/70/39/526237039.db2.gz GLIJRRVQBFCPGN-QFIPXVFZSA-N 0 0 458.624 4.402 50 0 JIAARN COc1cccc(Oc2nccnc2N2CCC(C(=O)NCc3ccccc3Cl)CC2)c1 ZINC000033142079 526242729 /nfs/dbraw/zinc/24/27/29/526242729.db2.gz NFOHTNFDVOYRMN-UHFFFAOYSA-N 0 0 452.942 4.464 50 0 JIAARN O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)C1(c3ccc(Cl)cc3)CC1)CC2 ZINC000014888554 526280232 /nfs/dbraw/zinc/28/02/32/526280232.db2.gz WYXAGZGOUVIXLF-QFIPXVFZSA-N 0 0 451.998 4.144 50 0 JIAARN Cc1csc(-c2cc(S(=O)(=O)NCc3ccc(C)c(C)c3)cn2CC(=O)N2CCCCC2)n1 ZINC000033307808 526299033 /nfs/dbraw/zinc/29/90/33/526299033.db2.gz RUQXGHMEUPJOEB-UHFFFAOYSA-N 0 0 486.663 4.028 50 0 JIAARN Cc1nn(Cc2noc(C(=O)NCCC34CC5CC(CC(C5)C3)C4)n2)c(C)c1Br ZINC000012372208 526300392 /nfs/dbraw/zinc/30/03/92/526300392.db2.gz LHMYGNDMGWUCDP-UHFFFAOYSA-N 0 0 462.392 4.030 50 0 JIAARN Cc1nn([C@H](C)C(=O)Nc2ccc(F)cc2F)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033057878 526305710 /nfs/dbraw/zinc/30/57/10/526305710.db2.gz GOKZKYRPNQBXMG-MRXNPFEDSA-N 0 0 474.471 4.159 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(C)cc3)c12 ZINC000017042335 526308881 /nfs/dbraw/zinc/30/88/81/526308881.db2.gz DGEMHMMZQDITMD-KRWDZBQOSA-N 0 0 466.588 4.389 50 0 JIAARN O=C(NCCN1CCN(c2ccccc2F)CC1)c1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000033278934 526314058 /nfs/dbraw/zinc/31/40/58/526314058.db2.gz OOCAVYIWLAUZCE-UHFFFAOYSA-N 0 0 471.536 4.095 50 0 JIAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000012310183 526324605 /nfs/dbraw/zinc/32/46/05/526324605.db2.gz UDQSRPNOSKBPFU-UHFFFAOYSA-N 0 0 489.583 4.081 50 0 JIAARN Fc1ccc([C@H](CNC(=S)NCCSc2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000014637934 526364805 /nfs/dbraw/zinc/36/48/05/526364805.db2.gz CUHZNYHTXKBWND-FQEVSTJZSA-N 0 0 454.036 4.109 50 0 JIAARN Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccc(C)cc3)CC2)n1 ZINC000033058726 526383248 /nfs/dbraw/zinc/38/32/48/526383248.db2.gz KGBRISICXHWJBL-CMDGGOBGSA-N 0 0 486.619 4.266 50 0 JIAARN O=C(OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000025693613 526427375 /nfs/dbraw/zinc/42/73/75/526427375.db2.gz UNLFUNMHNNKFCF-IZZNHLLZSA-N 0 0 486.568 4.259 50 0 JIAARN 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536781970 /nfs/dbraw/zinc/78/19/70/536781970.db2.gz SJANZDIUTBZXRJ-OFVILXPXSA-N 0 0 462.889 4.438 50 0 JIAARN COc1cccc(-c2nc3sc4cc(C)ccc4n3c2CN2CCN(S(=O)(=O)C(C)C)CC2)c1 ZINC000096278344 537069589 /nfs/dbraw/zinc/06/95/89/537069589.db2.gz CRDVNBORDRUMJT-UHFFFAOYSA-N 0 0 498.674 4.389 50 0 JIAARN CCOC(=O)COc1c(Cl)cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc1OCC ZINC000000623297 553712249 /nfs/dbraw/zinc/71/22/49/553712249.db2.gz QNCUQBVLAVJARC-WQRHYEAKSA-N 0 0 459.882 4.034 50 0 JIAARN CCNc1nc2nc(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)nn2c(NCC)n1 ZINC000000629344 553716661 /nfs/dbraw/zinc/71/66/61/553716661.db2.gz PXYLOYDSCNAEPO-UHFFFAOYSA-N 0 0 475.793 4.074 50 0 JIAARN CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2cnc(-c3cc(OC)c(OC)c(OC)c3)cc12 ZINC000000633084 553719201 /nfs/dbraw/zinc/71/92/01/553719201.db2.gz RXHWPTVYLRMOEK-UHFFFAOYSA-N 0 0 490.512 4.443 50 0 JIAARN COC(=O)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000642137 553724193 /nfs/dbraw/zinc/72/41/93/553724193.db2.gz UKYVWCBMRKKYGX-UHFFFAOYSA-N 0 0 486.977 4.265 50 0 JIAARN CCc1cc(Br)ccc1NC(=O)c1ccccc1OC1=N[C@H](OC)CC(OC)=N1 ZINC000000642877 553724695 /nfs/dbraw/zinc/72/46/95/553724695.db2.gz CADUGRJZVFEJST-GOSISDBHSA-N 0 0 460.328 4.420 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)n2c3ccccc3n(S(=O)(=O)c3cc(C)c(C)cc3C)c2=O)cc1C ZINC000000645662 553727057 /nfs/dbraw/zinc/72/70/57/553727057.db2.gz CSWVXFIGVXUXTA-UHFFFAOYSA-N 0 0 498.626 4.128 50 0 JIAARN CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(I)cc2C)cc1OCC ZINC000000646915 553727690 /nfs/dbraw/zinc/72/76/90/553727690.db2.gz LFHSUZWYCIQECX-UHFFFAOYSA-N 0 0 497.329 4.121 50 0 JIAARN COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c(OC)c1 ZINC000000669589 553744430 /nfs/dbraw/zinc/74/44/30/553744430.db2.gz QPNSTJPGMNGASZ-AQIZGWBQSA-N 0 0 486.618 4.397 50 0 JIAARN COc1ccc(C(=O)NC[C@@]2(C)C[C@@H](NC(=O)c3ccc(OC)cc3OC)CC(C)(C)C2)c(OC)c1 ZINC000000669691 553744439 /nfs/dbraw/zinc/74/44/39/553744439.db2.gz WWKKNFDBVODOPM-JMQGSBJISA-N 0 0 498.620 4.466 50 0 JIAARN O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccccc1Br ZINC000000670650 553745085 /nfs/dbraw/zinc/74/50/85/553745085.db2.gz OCOHUINQAWRTQN-UHFFFAOYSA-N 0 0 457.349 4.453 50 0 JIAARN O=C(COc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000000674366 553747795 /nfs/dbraw/zinc/74/77/95/553747795.db2.gz GOZBKFJBOVNPIE-UHFFFAOYSA-N 0 0 479.327 4.407 50 0 JIAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1Br ZINC000000674481 553748073 /nfs/dbraw/zinc/74/80/73/553748073.db2.gz YMNFFHDLOUVFHJ-UHFFFAOYSA-N 0 0 451.386 4.430 50 0 JIAARN Cc1cc(Br)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000675000 553748656 /nfs/dbraw/zinc/74/86/56/553748656.db2.gz CBZPZGBPJSZAAA-UHFFFAOYSA-N 0 0 481.412 4.340 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 ZINC000000676962 553750407 /nfs/dbraw/zinc/75/04/07/553750407.db2.gz ASMNIMHIKFSILY-UHFFFAOYSA-N 0 0 457.552 4.168 50 0 JIAARN COc1ccc(OCC(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000000676709 553750514 /nfs/dbraw/zinc/75/05/14/553750514.db2.gz CIONBWXARYCCKM-UHFFFAOYSA-N 0 0 499.614 4.005 50 0 JIAARN COc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)ccc1OCc1ccc(Cl)cc1 ZINC000000678729 553751777 /nfs/dbraw/zinc/75/17/77/553751777.db2.gz QWSLHUOXMNDKRT-UHFFFAOYSA-N 0 0 450.878 4.406 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000000683416 553754963 /nfs/dbraw/zinc/75/49/63/553754963.db2.gz ZJMNKBMEFYHGDF-UHFFFAOYSA-N 0 0 458.967 4.487 50 0 JIAARN CCC(=O)Oc1cccc([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)c1 ZINC000000684333 553755464 /nfs/dbraw/zinc/75/54/64/553755464.db2.gz INXSLIVYDFMDPK-JOCHJYFZSA-N 0 0 450.520 4.410 50 0 JIAARN COc1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)c1 ZINC000000687493 553757533 /nfs/dbraw/zinc/75/75/33/553757533.db2.gz ZNNYEZWIPFJBMU-GFCCVEGCSA-N 0 0 494.404 4.352 50 0 JIAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1C ZINC000000702572 553761371 /nfs/dbraw/zinc/76/13/71/553761371.db2.gz MRHIRDGTGIVFTR-PXLXIMEGSA-N 0 0 460.559 4.159 50 0 JIAARN O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2 ZINC000000703967 553762956 /nfs/dbraw/zinc/76/29/56/553762956.db2.gz JYTVYKHADDASOT-UHFFFAOYSA-N 0 0 454.533 4.150 50 0 JIAARN COc1ccc(CCN2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1OC ZINC000000707126 553764145 /nfs/dbraw/zinc/76/41/45/553764145.db2.gz GIPFRWHEHPBODT-NSIFAMOJSA-N 0 0 453.538 4.313 50 0 JIAARN COc1ccc(CCNC(=O)CSc2ncnc3sc4c(c32)CC[C@@H](C)C4)cc1OC ZINC000000781898 553780252 /nfs/dbraw/zinc/78/02/52/553780252.db2.gz UHZQOVSRQCKZJA-CQSZACIVSA-N 0 0 457.621 4.284 50 0 JIAARN OC[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000000792879 553781781 /nfs/dbraw/zinc/78/17/81/553781781.db2.gz HGSUIPMLZQCBLF-SNVBAGLBSA-N 0 0 477.978 4.435 50 0 JIAARN Cc1ccc(-c2nn(CCC(=O)N3CCN(c4ccccc4)CC3)c(=O)c3ccccc32)cc1 ZINC000000801807 553784152 /nfs/dbraw/zinc/78/41/52/553784152.db2.gz CZAPMILSAIBQLA-UHFFFAOYSA-N 0 0 452.558 4.111 50 0 JIAARN COc1ccc(OC)c(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000000817062 553785621 /nfs/dbraw/zinc/78/56/21/553785621.db2.gz LJDRINJTIIHNBE-UHFFFAOYSA-N 0 0 454.548 4.155 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4cccnc4)c(Cl)c3n2)cc1OC ZINC000000848637 553797511 /nfs/dbraw/zinc/79/75/11/553797511.db2.gz BFMOESYCOQOSAN-UHFFFAOYSA-N 0 0 491.857 4.411 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2ccc(C)cc2)cc1OC ZINC000000854487 553799745 /nfs/dbraw/zinc/79/97/45/553799745.db2.gz JZJAZPHLYQFLLF-UHFFFAOYSA-N 0 0 454.548 4.155 50 0 JIAARN CC1(C)C[C@H](n2c(SCC(N)=O)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)CCO1 ZINC000000865031 553804123 /nfs/dbraw/zinc/80/41/23/553804123.db2.gz DIAFGBQMOMEFCJ-GOSISDBHSA-N 0 0 467.635 4.376 50 0 JIAARN COc1ccc(CNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(OC)c(OC)c2)N3)cc1 ZINC000000866016 553805431 /nfs/dbraw/zinc/80/54/31/553805431.db2.gz ASOITJRWCUIJLV-UTKZUKDTSA-N 0 0 490.482 4.499 50 0 JIAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1ccccc1Br ZINC000000873111 553810818 /nfs/dbraw/zinc/81/08/18/553810818.db2.gz SDLKPMJUJYKRRG-UHFFFAOYSA-N 0 0 470.352 4.475 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccc(Cl)cc2)cc1 ZINC000000881360 553818129 /nfs/dbraw/zinc/81/81/29/553818129.db2.gz ZMNQWMOXMNIYKT-UHFFFAOYSA-N 0 0 458.923 4.211 50 0 JIAARN COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccc5c(c4)OCO5)c3n2)c1 ZINC000000883745 553820519 /nfs/dbraw/zinc/82/05/19/553820519.db2.gz CVFAAQKJPIXEMP-UHFFFAOYSA-N 0 0 470.407 4.082 50 0 JIAARN NC(=O)c1c2c(sc1NC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N3)CCC2 ZINC000000919720 553850946 /nfs/dbraw/zinc/85/09/46/553850946.db2.gz NCNIWAPIKKFPGN-IINYFYTJSA-N 0 0 465.457 4.038 50 0 JIAARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)ccc1OCc1ccccc1F ZINC000000936915 553873959 /nfs/dbraw/zinc/87/39/59/553873959.db2.gz DRBIOCAFQNVJJZ-XMMPIXPASA-N 0 0 486.507 4.327 50 0 JIAARN COC(=O)c1ccccc1NC(=S)N[C@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl ZINC000000939597 553875780 /nfs/dbraw/zinc/87/57/80/553875780.db2.gz VDIAYXMVBDNUKA-KRWDZBQOSA-N 0 0 474.797 4.194 50 0 JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000000940617 553876415 /nfs/dbraw/zinc/87/64/15/553876415.db2.gz IHVVIYNLNGOAEE-RUZDIDTESA-N 0 0 498.543 4.197 50 0 JIAARN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1cccc2ccccc21 ZINC000000941716 553877337 /nfs/dbraw/zinc/87/73/37/553877337.db2.gz IBFMLFHLNODQMH-VWLOTQADSA-N 0 0 478.504 4.229 50 0 JIAARN O=C1C(Cl)=C(Nc2ccc(I)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000000949117 553880239 /nfs/dbraw/zinc/88/02/39/553880239.db2.gz VLNASSUOANWOGG-UHFFFAOYSA-N 0 0 459.070 4.380 50 0 JIAARN CCOc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1C)C2=O ZINC000000950561 553881302 /nfs/dbraw/zinc/88/13/02/553881302.db2.gz LTGKXEKMOVJJNB-UHFFFAOYSA-N 0 0 472.497 4.298 50 0 JIAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(F)cc1)c2C(=O)Nc1ccc(OC)cc1 ZINC000000959677 553885439 /nfs/dbraw/zinc/88/54/39/553885439.db2.gz QBASUAXYOLUUJE-UHFFFAOYSA-N 0 0 480.521 4.361 50 0 JIAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 ZINC000000982919 553891652 /nfs/dbraw/zinc/89/16/52/553891652.db2.gz PIKZCSKWJLTQEA-IBGZPJMESA-N 0 0 495.601 4.058 50 0 JIAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCCC4)cc(I)c1OC ZINC000000989531 553894280 /nfs/dbraw/zinc/89/42/80/553894280.db2.gz WCBPHIYAMBVQFV-INIZCTEOSA-N 0 0 470.332 4.103 50 0 JIAARN CCc1ccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000001112360 553909432 /nfs/dbraw/zinc/90/94/32/553909432.db2.gz KLJNARYBOFBBET-UHFFFAOYSA-N 0 0 454.548 4.100 50 0 JIAARN COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N[C@H](C)c1ccccc1 ZINC000001112428 553909507 /nfs/dbraw/zinc/90/95/07/553909507.db2.gz ZIUFWQDIQUVPGE-MRXNPFEDSA-N 0 0 473.558 4.301 50 0 JIAARN COc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(N(C)C)cc4)nc3c2)cc1Cl ZINC000001123824 553912536 /nfs/dbraw/zinc/91/25/36/553912536.db2.gz PKWOBTFHMSNZLB-UHFFFAOYSA-N 0 0 480.981 4.275 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)Cc2ccc(Cl)cc2Cl)cc1 ZINC000001160883 553919613 /nfs/dbraw/zinc/91/96/13/553919613.db2.gz AXLLELBMRGPJFX-UHFFFAOYSA-N 0 0 478.401 4.204 50 0 JIAARN O=C(COc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1)N1CCCCC1 ZINC000001462405 553975902 /nfs/dbraw/zinc/97/59/02/553975902.db2.gz HEYGNGPYMGBJMJ-HHHXNRCGSA-N 0 0 491.613 4.393 50 0 JIAARN COc1cccc(NC2=C(Sc3nc(C)cc(C)n3)C(=O)N(CCc3ccccc3)C2=O)c1 ZINC000001785646 553989517 /nfs/dbraw/zinc/98/95/17/553989517.db2.gz NTPFVSFTJXFNJX-UHFFFAOYSA-N 0 0 460.559 4.129 50 0 JIAARN COC(=O)c1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(C4CCCCC4)C3=O)c2)cc1 ZINC000001954078 554007416 /nfs/dbraw/zinc/00/74/16/554007416.db2.gz GLKGXTGCVBKKGN-UHFFFAOYSA-N 0 0 481.936 4.289 50 0 JIAARN COc1ccc(-c2oc3ccccc3c(=O)c2OS(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000002077417 554025055 /nfs/dbraw/zinc/02/50/55/554025055.db2.gz LIJYXKOHKGZHRE-UHFFFAOYSA-N 0 0 468.483 4.254 50 0 JIAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)CCNS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002092265 554035618 /nfs/dbraw/zinc/03/56/18/554035618.db2.gz NYOZQVQTLYEBCT-UHFFFAOYSA-N 0 0 457.548 4.026 50 0 biogenic JIAARN Cc1oc2cc(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc2c(=O)c1Oc1ccccc1 ZINC000002108746 554048795 /nfs/dbraw/zinc/04/87/95/554048795.db2.gz ZULAYDAUCPJFTB-XHCCPWGMSA-N 0 0 463.530 4.426 50 0 biogenic JIAARN Cc1c2ccc(OCc3ccccc3)cc2oc(=O)c1CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000002111631 554050452 /nfs/dbraw/zinc/05/04/52/554050452.db2.gz RSBLEVQCACWQDW-LYZGTLIUSA-N 0 0 461.558 4.377 50 0 biogenic JIAARN COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4)C(=O)N32)cc1 ZINC000002148145 554067611 /nfs/dbraw/zinc/06/76/11/554067611.db2.gz MKUYVFLNPYUMTG-LADGPHEKSA-N 0 0 451.482 4.437 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccco3)n1CC)CCCC2 ZINC000002179291 554078865 /nfs/dbraw/zinc/07/88/65/554078865.db2.gz LENLWPNCWHBJJQ-UHFFFAOYSA-N 0 0 460.581 4.406 50 0 JIAARN Cc1c2cc(Cl)c(OCC(=O)Nc3ccc(Br)cc3)cc2oc(=O)c1C[C@H](C)O ZINC000002194950 554088640 /nfs/dbraw/zinc/08/86/40/554088640.db2.gz HYVSQYGLIHVJAP-NSHDSACASA-N 0 0 480.742 4.458 50 0 JIAARN Cn1c(SCC(=O)NCc2ccco2)nnc1-c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000002200903 554091013 /nfs/dbraw/zinc/09/10/13/554091013.db2.gz NRPGPKUSRABSNG-UHFFFAOYSA-N 0 0 481.965 4.389 50 0 JIAARN COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3S[C@@H](C)C(=O)N32)ccc1OC(C)=O ZINC000002249033 554113231 /nfs/dbraw/zinc/11/32/31/554113231.db2.gz AAQUPCITWPKODD-OYHNWAKOSA-N 0 0 480.542 4.013 50 0 JIAARN COc1cccc(C(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000002249364 554113529 /nfs/dbraw/zinc/11/35/29/554113529.db2.gz USPLDQDAZOIAOQ-LJQANCHMSA-N 0 0 478.328 4.439 50 0 JIAARN COc1cc(OC)cc(-n2c(N)c(C(=O)NCc3ccc(C)cc3)c3nc4ccccc4nc32)c1 ZINC000002257110 554119603 /nfs/dbraw/zinc/11/96/03/554119603.db2.gz DBAAUBYUBGXMKB-UHFFFAOYSA-N 0 0 467.529 4.412 50 0 JIAARN COc1ccccc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)n2n1 ZINC000002263950 554123734 /nfs/dbraw/zinc/12/37/34/554123734.db2.gz SPUJPAMZTOIAGW-KQWNVCNZSA-N 0 0 477.549 4.227 50 0 JIAARN COC(=O)c1ccc(N[C@@H](c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccc(OC)cc2)cc1 ZINC000002278712 554129993 /nfs/dbraw/zinc/12/99/93/554129993.db2.gz BZALASWFACOSOZ-RUZDIDTESA-N 0 0 457.530 4.481 50 0 JIAARN Cn1c2nnc(SCC(=O)c3ccc(Cl)cc3)n2c2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000002286596 554133141 /nfs/dbraw/zinc/13/31/41/554133141.db2.gz KKQUQJWUIKCSGG-UHFFFAOYSA-N 0 0 474.995 4.122 50 0 JIAARN COc1ccc(CCNC(=O)c2c(N)n(-c3cccc(F)c3)c3nc4ccccc4nc32)cc1OC ZINC000002343420 554157251 /nfs/dbraw/zinc/15/72/51/554157251.db2.gz DXYQJXPVQBQOSO-UHFFFAOYSA-N 0 0 485.519 4.285 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002351069 554161678 /nfs/dbraw/zinc/16/16/78/554161678.db2.gz LWSKXYXFEXYDEA-JKALPCAWSA-N 0 0 473.381 4.105 50 0 JIAARN O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2cccs2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000002351939 554161787 /nfs/dbraw/zinc/16/17/87/554161787.db2.gz RBVFMXPXWXZHPK-MOSHPQCFSA-N 0 0 471.542 4.419 50 0 JIAARN COC[C@H](C)OC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 ZINC000002352570 554162179 /nfs/dbraw/zinc/16/21/79/554162179.db2.gz OSJFHTUJSGALPG-LBPRGKRZSA-N 0 0 455.312 4.110 50 0 JIAARN COc1ccc(Cn2c(N)c(C(=O)Nc3ccccc3OC)c3nc4ccccc4nc32)cc1 ZINC000002377531 554174093 /nfs/dbraw/zinc/17/40/93/554174093.db2.gz LMUWHYOPIZGVRM-UHFFFAOYSA-N 0 0 453.502 4.485 50 0 JIAARN COc1ccc(-c2nc3s/c(=C\c4ccc(-c5ccc(Cl)cc5)o4)c(=O)n3n2)cc1OC ZINC000002387597 554178208 /nfs/dbraw/zinc/17/82/08/554178208.db2.gz MARSDRVJOYFNPO-NDENLUEZSA-N 0 0 465.918 4.296 50 0 JIAARN Cc1cccc(-c2nc3s/c(=C4/c5ccccc5N(Cc5ccccc5Cl)C4=O)c(=O)n3n2)c1 ZINC000002389226 554178861 /nfs/dbraw/zinc/17/88/61/554178861.db2.gz HUPRQGUPEKHIJO-DQRAZIAOSA-N 0 0 484.968 4.245 50 0 JIAARN COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000002398852 554184354 /nfs/dbraw/zinc/18/43/54/554184354.db2.gz WFALGJSNNQEEKQ-RPWUZVMVSA-N 0 0 454.461 4.417 50 0 JIAARN COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000002398851 554184363 /nfs/dbraw/zinc/18/43/63/554184363.db2.gz WFALGJSNNQEEKQ-BJKOFHAPSA-N 0 0 454.461 4.417 50 0 JIAARN O=c1/c(=C/c2cccc(O)c2)sc2n1[C@@H](c1cccc(F)c1)C1=C(N=2)c2ccccc2CC1 ZINC000002405723 554188329 /nfs/dbraw/zinc/18/83/29/554188329.db2.gz LHBNDXFCQYNWTC-PNZYDNNZSA-N 0 0 454.526 4.163 50 0 JIAARN COc1ccccc1Cn1c(N)c(S(=O)(=O)c2cccc(C)c2)c2nc3ccccc3nc21 ZINC000002408503 554190441 /nfs/dbraw/zinc/19/04/41/554190441.db2.gz AZASMNPENCCSFG-UHFFFAOYSA-N 0 0 458.543 4.365 50 0 JIAARN CC(C)OCCCn1c(N)c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002416317 554195092 /nfs/dbraw/zinc/19/50/92/554195092.db2.gz RDLOTHDMGFWQSL-UHFFFAOYSA-N 0 0 458.971 4.468 50 0 JIAARN COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(F)c2)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000002416785 554195662 /nfs/dbraw/zinc/19/56/62/554195662.db2.gz LZGMNHGRTATRGH-FQKMCRJQSA-N 0 0 498.579 4.475 50 0 JIAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(F)c3)nnc2-c2ccccn2)cc1 ZINC000002431077 554204864 /nfs/dbraw/zinc/20/48/64/554204864.db2.gz DLKVPUNQXYFNFK-UHFFFAOYSA-N 0 0 453.474 4.347 50 0 JIAARN C[C@]1(O)N(CCCCCCN2C(=O)OC3(CCCCC3)[C@@]2(C)O)C(=O)OC12CCCCC2 ZINC000002491529 554227245 /nfs/dbraw/zinc/22/72/45/554227245.db2.gz CJNRTKUITDJABS-FGZHOGPDSA-N 0 0 452.592 4.274 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000002495103 554227963 /nfs/dbraw/zinc/22/79/63/554227963.db2.gz MZKSLSGNGWQUKR-ZDQFFALBSA-N 0 0 468.578 4.260 50 0 JIAARN COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc3c(c1)OCCO3)[C@H](c1cccs1)N(C)C2=O ZINC000002496551 554228256 /nfs/dbraw/zinc/22/82/56/554228256.db2.gz XHUGGFZSAAKPBA-GOTSBHOMSA-N 0 0 480.542 4.086 50 0 JIAARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SCCC(=O)N32)ccc1OC(C)=O ZINC000002508869 554231429 /nfs/dbraw/zinc/23/14/29/554231429.db2.gz KTBJQDZHLIYQOJ-DEOSSOPVSA-N 0 0 494.569 4.404 50 0 JIAARN O=S(=O)(c1ccccc1)n1cccc1-c1ccc(-c2cccn2S(=O)(=O)c2ccccc2)[nH]1 ZINC000002519485 554232054 /nfs/dbraw/zinc/23/20/54/554232054.db2.gz URYRDXLNPXKGSK-UHFFFAOYSA-N 0 0 477.567 4.426 50 0 JIAARN COC(=O)c1c2c(sc1NC(=O)COC(=O)c1c(C)nn(Cc3ccccc3)c1Cl)CCC2 ZINC000002617153 554242025 /nfs/dbraw/zinc/24/20/25/554242025.db2.gz FQSVGAKSWLOLEZ-UHFFFAOYSA-N 0 0 487.965 4.026 50 0 JIAARN COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1Cl ZINC000002618096 554242507 /nfs/dbraw/zinc/24/25/07/554242507.db2.gz NVRLHFOVUVMRFJ-UHFFFAOYSA-N 0 0 460.939 4.435 50 0 JIAARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccc(F)c(F)c1 ZINC000002619911 554244514 /nfs/dbraw/zinc/24/45/14/554244514.db2.gz HOAYXFXKUGBGOT-UHFFFAOYSA-N 0 0 479.530 4.164 50 0 JIAARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(OC(F)(F)F)cc3)C2=O)cc1 ZINC000002620882 554245680 /nfs/dbraw/zinc/24/56/80/554245680.db2.gz JACFIFYJXNSVGJ-JOCHJYFZSA-N 0 0 463.456 4.288 50 0 JIAARN COC[C@H](C)n1c(=O)c2ccccc2nc1S[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000002629325 554252039 /nfs/dbraw/zinc/25/20/39/554252039.db2.gz GZSGVNULAJWNLD-RYUDHWBXSA-N 0 0 467.378 4.425 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)NCCc1ccc(F)cc1 ZINC000002640396 554259733 /nfs/dbraw/zinc/25/97/33/554259733.db2.gz OWLASDGSFHZADE-UHFFFAOYSA-N 0 0 451.498 4.115 50 0 JIAARN CCOC(=O)Cc1csc(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)n1 ZINC000002640660 554260041 /nfs/dbraw/zinc/26/00/41/554260041.db2.gz OYNGZOSBCHJFLV-UHFFFAOYSA-N 0 0 468.622 4.097 50 0 JIAARN CN(C)c1ccc(NC(=O)NCc2cccc(CNC(=O)Nc3ccc(N(C)C)cc3)c2)cc1 ZINC000002644784 554262713 /nfs/dbraw/zinc/26/27/13/554262713.db2.gz YUFAUOANWHFMMV-UHFFFAOYSA-N 0 0 460.582 4.462 50 0 JIAARN C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000002646062 554263564 /nfs/dbraw/zinc/26/35/64/554263564.db2.gz PMGOERULIQHDBI-UGSOOPFHSA-N 0 0 466.953 4.454 50 0 JIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1n[nH]c(COc2ccc(C)cc2)n1 ZINC000002650425 554266411 /nfs/dbraw/zinc/26/64/11/554266411.db2.gz VDTNMUVKLAOHIK-UHFFFAOYSA-N 0 0 460.581 4.278 50 0 JIAARN O=c1c2ccccc2nc(SCc2ccccc2)n1-c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000002652899 554268841 /nfs/dbraw/zinc/26/88/41/554268841.db2.gz PCWPNJWRWAAOSF-UHFFFAOYSA-N 0 0 477.611 4.463 50 0 JIAARN CN(C)S(=O)(=O)c1cccc(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)c1 ZINC000002657273 554272391 /nfs/dbraw/zinc/27/23/91/554272391.db2.gz SCNABMPEGCBXGB-UHFFFAOYSA-N 0 0 465.600 4.436 50 0 JIAARN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(C)cc4)c(=O)n32)cc1 ZINC000002680753 554281751 /nfs/dbraw/zinc/28/17/51/554281751.db2.gz RNBPIVWVLPXNAO-YJADQXIJSA-N 0 0 478.639 4.217 50 0 JIAARN COc1ccc(CNc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccccc32)cc1 ZINC000002690471 554285629 /nfs/dbraw/zinc/28/56/29/554285629.db2.gz PYSQMHPBDLSGEF-UHFFFAOYSA-N 0 0 459.531 4.039 50 0 JIAARN O=C(Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000002690997 554286232 /nfs/dbraw/zinc/28/62/32/554286232.db2.gz HIOSUSFSBQAICG-UHFFFAOYSA-N 0 0 452.919 4.126 50 0 JIAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(NCc2ccc(OC)cc2)c2ccccc23)cc1 ZINC000002693693 554290829 /nfs/dbraw/zinc/29/08/29/554290829.db2.gz IKAIYZHAOCWDGD-UHFFFAOYSA-N 0 0 473.558 4.293 50 0 JIAARN Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2nc4ccccc4s2)[nH]c3=O)cc1C ZINC000002718077 554303104 /nfs/dbraw/zinc/30/31/04/554303104.db2.gz URDUIVYKLLCNJB-UHFFFAOYSA-N 0 0 462.560 4.478 50 0 JIAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)NCCc1ccccc1 ZINC000002720642 554305752 /nfs/dbraw/zinc/30/57/52/554305752.db2.gz RPVIKYPARQQSBF-UHFFFAOYSA-N 0 0 454.555 4.318 50 0 JIAARN CS(=O)(=O)c1ccc2nc(NC(=O)N[C@]3(C(F)(F)F)Oc4ccc(Cl)cc4O3)sc2c1 ZINC000002725374 554311845 /nfs/dbraw/zinc/31/18/45/554311845.db2.gz IQERQWORVFYPQB-QGZVFWFLSA-N 0 0 493.872 4.162 50 0 JIAARN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000002729820 554314006 /nfs/dbraw/zinc/31/40/06/554314006.db2.gz HUXKZPLVCPCZAU-UHFFFAOYSA-N 0 0 453.486 4.450 50 0 JIAARN O=C(Nc1ccn(Cc2ccccc2)n1)c1cncc(C(=O)Nc2ccn(Cc3ccccc3)n2)c1 ZINC000002735418 554318834 /nfs/dbraw/zinc/31/88/34/554318834.db2.gz WERUYJOGUMYGQZ-UHFFFAOYSA-N 0 0 477.528 4.076 50 0 JIAARN Cc1cc(Cl)ccc1OCC(=O)NCC(C)(C)CNC(=O)COc1ccc(Cl)cc1C ZINC000002749129 554325497 /nfs/dbraw/zinc/32/54/97/554325497.db2.gz YYHGLECXOKICEH-UHFFFAOYSA-N 0 0 467.393 4.327 50 0 JIAARN CNS(=O)(=O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000002763436 554332615 /nfs/dbraw/zinc/33/26/15/554332615.db2.gz WYQSXRQQFPUJCW-UHFFFAOYSA-N 0 0 455.319 4.326 50 0 JIAARN Cn1ncc(NC(=O)c2cccc(COc3ccc4c(c3)CCC4)c2)c1C(=O)NCc1ccco1 ZINC000002798671 554351898 /nfs/dbraw/zinc/35/18/98/554351898.db2.gz WSCWLYBNQOLQFR-UHFFFAOYSA-N 0 0 470.529 4.263 50 0 JIAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000002802161 554353716 /nfs/dbraw/zinc/35/37/16/554353716.db2.gz OPQUUCMOPKPGRK-LBPRGKRZSA-N 0 0 462.877 4.120 50 0 JIAARN Cn1ncc2c3nc(-c4cc5n(n4)[C@@H](C(F)(F)F)C[C@H](c4ccc(Cl)cc4)N5)nn3cnc21 ZINC000002802796 554354269 /nfs/dbraw/zinc/35/42/69/554354269.db2.gz PGTQSKDGQHXRPT-UKRRQHHQSA-N 0 0 473.850 4.188 50 0 JIAARN COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000002813090 554361198 /nfs/dbraw/zinc/36/11/98/554361198.db2.gz NRSXNPWWMDFMBN-UHFFFAOYSA-N 0 0 450.988 4.383 50 0 JIAARN O=C(Nc1ccc2nsnc2c1NC(=O)c1ccc2nsnc2c1)c1ccc2nsnc2c1 ZINC000002818032 554363231 /nfs/dbraw/zinc/36/32/31/554363231.db2.gz VZNQRPBMJZMHLU-UHFFFAOYSA-N 0 0 490.555 4.205 50 0 JIAARN CCCSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)OC)cc1)N(C(C)=O)c1ccccc1-2 ZINC000002821990 554364424 /nfs/dbraw/zinc/36/44/24/554364424.db2.gz LAXBFHKUSNVCTL-NRFANRHFSA-N 0 0 450.520 4.271 50 0 JIAARN COCCCN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)cc2C1=O ZINC000002825769 554365995 /nfs/dbraw/zinc/36/59/95/554365995.db2.gz VQEYFDPUJGCGME-UHFFFAOYSA-N 0 0 457.482 4.026 50 0 JIAARN COCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000002837176 554370894 /nfs/dbraw/zinc/37/08/94/554370894.db2.gz WISQQFQVSOKZEO-UHFFFAOYSA-N 0 0 450.486 4.265 50 0 JIAARN CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C)o2)nc1C ZINC000002843101 554374373 /nfs/dbraw/zinc/37/43/73/554374373.db2.gz JJHXXDOCOSNPFY-QGZVFWFLSA-N 0 0 450.472 4.386 50 0 JIAARN CCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000002851155 554379304 /nfs/dbraw/zinc/37/93/04/554379304.db2.gz MGGVXGMFNIKSLM-IBGZPJMESA-N 0 0 495.601 4.412 50 0 JIAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCC(=O)c3ccc(Br)cc3)cc2oc1=O ZINC000002852992 554380930 /nfs/dbraw/zinc/38/09/30/554380930.db2.gz RANHDEMTRRGXAR-UHFFFAOYSA-N 0 0 479.710 4.495 50 0 JIAARN COC(=O)c1sc2cc(NC(=S)NNC(=S)NC3CCCCC3)ccc2c1Cl ZINC000002858349 554384567 /nfs/dbraw/zinc/38/45/67/554384567.db2.gz SUAHJASXIPGYIY-UHFFFAOYSA-N 0 0 457.046 4.340 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3C)n2C)cc1 ZINC000002860653 554387099 /nfs/dbraw/zinc/38/70/99/554387099.db2.gz LTZKJYIRSNKFAV-UHFFFAOYSA-N 0 0 476.558 4.373 50 0 JIAARN COc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2C)cc1 ZINC000002861969 554388834 /nfs/dbraw/zinc/38/88/34/554388834.db2.gz KFTNWLIAVTWGHY-UHFFFAOYSA-N 0 0 452.458 4.152 50 0 JIAARN COC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OC)C1c1ccc(OC(C)C)c(OC)c1 ZINC000002868570 554393902 /nfs/dbraw/zinc/39/39/02/554393902.db2.gz ZFBVQNSLKJXMDK-UHFFFAOYSA-N 0 0 455.482 4.339 50 0 JIAARN Cc1ccc(N2C(=O)N[C@@](NC(=O)c3ccc(Cl)cc3Cl)(C(F)(F)F)C2=O)cc1C ZINC000002870386 554395335 /nfs/dbraw/zinc/39/53/35/554395335.db2.gz VEICDQHSNZVUQN-GOSISDBHSA-N 0 0 460.239 4.355 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1 ZINC000002875806 554398337 /nfs/dbraw/zinc/39/83/37/554398337.db2.gz VMKGCGUAJLGSPY-OAHLLOKOSA-N 0 0 485.389 4.210 50 0 JIAARN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000002880799 554402568 /nfs/dbraw/zinc/40/25/68/554402568.db2.gz VKERVZVMPJKNJQ-UHFFFAOYSA-N 0 0 459.911 4.329 50 0 JIAARN Cc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002881134 554402998 /nfs/dbraw/zinc/40/29/98/554402998.db2.gz KORUMOHQYVKGAZ-UHFFFAOYSA-N 0 0 472.950 4.254 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)cc1 ZINC000002885230 554406126 /nfs/dbraw/zinc/40/61/26/554406126.db2.gz PPYOMZDELCKASF-UHFFFAOYSA-N 0 0 463.357 4.080 50 0 JIAARN CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000002888671 554407639 /nfs/dbraw/zinc/40/76/39/554407639.db2.gz DMBUUIWPYMIXEP-NRFANRHFSA-N 0 0 485.585 4.304 50 0 JIAARN COc1ccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000002903175 554410296 /nfs/dbraw/zinc/41/02/96/554410296.db2.gz JQIOBWUSTVICLD-UHFFFAOYSA-N 0 0 491.034 4.452 50 0 JIAARN COc1ccccc1N(CC(=O)NCCSc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000002979389 554416905 /nfs/dbraw/zinc/41/69/05/554416905.db2.gz GUJRPELFYRFFBM-UHFFFAOYSA-N 0 0 491.034 4.452 50 0 JIAARN CCCCNC(=O)CSc1nnc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)n1C ZINC000002996808 554421945 /nfs/dbraw/zinc/42/19/45/554421945.db2.gz GUVAPTSVUIQTGO-UHFFFAOYSA-N 0 0 457.987 4.396 50 0 JIAARN COc1ccc(OC)c(NC(=S)N2CCn3cccc3[C@@H]2c2cc(OC)ccc2OC)c1 ZINC000003582657 554466701 /nfs/dbraw/zinc/46/67/01/554466701.db2.gz ZNVZIRBNKYZWGM-QHCPKHFHSA-N 0 0 453.564 4.325 50 0 JIAARN COc1ccc(OC)c(-n2c(=O)c3ccc(C(=O)NCCC4=CCCCC4)cc3[nH]c2=S)c1 ZINC000003630129 554467377 /nfs/dbraw/zinc/46/73/77/554467377.db2.gz MTRRRSBMQRXCGI-UHFFFAOYSA-N 0 0 465.575 4.312 50 0 JIAARN COc1ccc(-n2c(=O)c3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]c2=S)c(OC)c1 ZINC000003631354 554468050 /nfs/dbraw/zinc/46/80/50/554468050.db2.gz JSMSDIRPHCQOFR-UHFFFAOYSA-N 0 0 451.479 4.083 50 0 JIAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3[nH]c2=S)cc1OC ZINC000003632144 554468978 /nfs/dbraw/zinc/46/89/78/554468978.db2.gz QOMYWJYELAEFTD-UHFFFAOYSA-N 0 0 495.988 4.318 50 0 JIAARN CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(I)c2)cc1 ZINC000004089275 554472601 /nfs/dbraw/zinc/47/26/01/554472601.db2.gz QXURITDFRPSJCT-UHFFFAOYSA-N 0 0 453.349 4.264 50 0 JIAARN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000004125389 554475715 /nfs/dbraw/zinc/47/57/15/554475715.db2.gz VLFWYBJHRPMBNB-UHFFFAOYSA-N 0 0 495.432 4.187 50 0 JIAARN CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005706844 554492917 /nfs/dbraw/zinc/49/29/17/554492917.db2.gz YUEGQHAZMUWZEV-GOTSBHOMSA-N 0 0 452.551 4.206 50 0 JIAARN CCOC(=O)[C@@H]1C(=C(O)c2cccc(OC)c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000005947940 554497931 /nfs/dbraw/zinc/49/79/31/554497931.db2.gz IPSMGZVAFOXDFR-NHICWYPXSA-N 0 0 494.547 4.232 50 0 JIAARN CC(C)(CCCNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)C1OCCO1 ZINC000006133865 554505639 /nfs/dbraw/zinc/50/56/39/554505639.db2.gz OTQJGUQBLJAWHU-UHFFFAOYSA-N 0 0 495.041 4.215 50 0 JIAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 ZINC000006153495 554512454 /nfs/dbraw/zinc/51/24/54/554512454.db2.gz OUSJYBHRPHSLMV-DEOSSOPVSA-N 0 0 476.602 4.306 50 0 JIAARN Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)sc21 ZINC000006577772 554553384 /nfs/dbraw/zinc/55/33/84/554553384.db2.gz UQBMCALQLSXRMB-UHFFFAOYSA-N 0 0 454.939 4.146 50 0 aggregator JIAARN O=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[S@]2=O ZINC000006577879 554553632 /nfs/dbraw/zinc/55/36/32/554553632.db2.gz QFRJKQAEEMKJBF-PMERELPUSA-N 0 0 487.350 4.495 50 0 JIAARN Cc1ccccc1NC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1cccs1 ZINC000006973899 554562895 /nfs/dbraw/zinc/56/28/95/554562895.db2.gz BZQRUMLTWMFFSN-QFVBLGFASA-N 0 0 471.607 4.244 50 0 JIAARN CCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000008383852 554567022 /nfs/dbraw/zinc/56/70/22/554567022.db2.gz PXUSXHHTIDZJJC-CRAIPNDOSA-N 0 0 457.910 4.074 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3cccc(C)c3)n2CC)cc1 ZINC000008400775 554576203 /nfs/dbraw/zinc/57/62/03/554576203.db2.gz HGLFBMFFJZBYRY-KRWDZBQOSA-N 0 0 495.605 4.005 50 0 JIAARN COc1ccc(CCC(=O)NCc2ccc(CNC(=O)CCc3ccc(OC)cc3)cc2)cc1 ZINC000008432222 554585276 /nfs/dbraw/zinc/58/52/76/554585276.db2.gz LUQSWNGZLXRQAZ-UHFFFAOYSA-N 0 0 460.574 4.202 50 0 JIAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(F)c4)c(=O)n32)cc1 ZINC000008432520 554585879 /nfs/dbraw/zinc/58/58/79/554585879.db2.gz WVKXMFWEUXEKOH-OWXSRONMSA-N 0 0 499.567 4.022 50 0 JIAARN O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1)c1ccc(Cl)cc1Cl ZINC000008432852 554586480 /nfs/dbraw/zinc/58/64/80/554586480.db2.gz GCBVSFUWLHVUAY-RMLTVZGISA-N 0 0 478.372 4.309 50 0 JIAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3cccs3)sc2=N1 ZINC000008439086 554590463 /nfs/dbraw/zinc/59/04/63/554590463.db2.gz ILOCTIOJPWVUHC-FGGAIWKESA-N 0 0 475.570 4.075 50 0 JIAARN O=C(/C=C/c1ccc2c(c1)OCO2)NCCCCCCCNC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000008443782 554593327 /nfs/dbraw/zinc/59/33/27/554593327.db2.gz ZUFNEUXOUQENGO-QHKWOANTSA-N 0 0 478.545 4.054 50 0 JIAARN Cc1ccc(NC(=O)[C@@H](c2ccncc2)N(Cc2ccco2)C(=O)CNC(=O)c2ccccc2)cc1 ZINC000008445604 554595050 /nfs/dbraw/zinc/59/50/50/554595050.db2.gz VIZVRAYQHQCWTB-AREMUKBSSA-N 0 0 482.540 4.122 50 0 JIAARN COc1ccc(/C=C/C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CCN(C)C5)cc2)cc1 ZINC000008448834 554595850 /nfs/dbraw/zinc/59/58/50/554595850.db2.gz QPYSJNCGSXSBSN-ACSGXXPCSA-N 0 0 475.570 4.218 50 0 JIAARN C=CCOc1ccc(CN=Nc2nc(C)cc(COC)c2C#N)cc1I ZINC000008450469 554596413 /nfs/dbraw/zinc/59/64/13/554596413.db2.gz JWDVHRPBJZKKHE-UHFFFAOYSA-N 0 0 462.291 4.024 50 0 JIAARN O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000008601930 554603139 /nfs/dbraw/zinc/60/31/39/554603139.db2.gz YPWIJSAVHYFRKY-SFHVURJKSA-N 0 0 493.525 4.400 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(C)Cc2cc(Br)ccc2OC)cc1OCC ZINC000008748541 554651131 /nfs/dbraw/zinc/65/11/31/554651131.db2.gz CINUDRAZCCOSRS-UHFFFAOYSA-N 0 0 458.374 4.076 50 0 JIAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000008751790 554653687 /nfs/dbraw/zinc/65/36/87/554653687.db2.gz SACYIFBWQYRZGB-UHFFFAOYSA-N 0 0 488.382 4.312 50 0 JIAARN C[C@@H](Sc1nnc(COc2ccccc2F)n1N)C(=O)Nc1cccc(Cl)c1Cl ZINC000008763030 554662799 /nfs/dbraw/zinc/66/27/99/554662799.db2.gz YLYRMGJUICQELM-SNVBAGLBSA-N 0 0 456.330 4.136 50 0 JIAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000008763853 554664236 /nfs/dbraw/zinc/66/42/36/554664236.db2.gz GSKSEGXLQYMIAD-GFCCVEGCSA-N 0 0 486.409 4.118 50 0 JIAARN O=C(NCCc1c[nH]c2ccccc12)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000008764705 554665360 /nfs/dbraw/zinc/66/53/60/554665360.db2.gz RRPPNDTZAUTCBW-DEOSSOPVSA-N 0 0 481.556 4.256 50 0 biogenic JIAARN CC(=O)OC[C@@H](Cc1ccccc1)NC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O ZINC000008764977 554665637 /nfs/dbraw/zinc/66/56/37/554665637.db2.gz SBPSEDLZGKLDMV-HXUWFJFHSA-N 0 0 461.514 4.298 50 0 biogenic JIAARN Cc1sc2nc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)n(C(C)C)c(=O)c2c1C ZINC000008768760 554669385 /nfs/dbraw/zinc/66/93/85/554669385.db2.gz CEAXGFJHRQZVKY-IBGZPJMESA-N 0 0 457.621 4.348 50 0 JIAARN COc1ccc(NC(=O)CSc2ccccc2C(=O)NCc2cn3ccccc3n2)cc1OC ZINC000008778701 554675461 /nfs/dbraw/zinc/67/54/61/554675461.db2.gz BLNPGFGBRUVRGM-UHFFFAOYSA-N 0 0 476.558 4.012 50 0 JIAARN CCCCOCCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000008789156 554681388 /nfs/dbraw/zinc/68/13/88/554681388.db2.gz KSJJPXGQAOEUJK-QFIPXVFZSA-N 0 0 498.620 4.482 50 0 biogenic JIAARN COc1ccc(CCNC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H]3c4ccccc4C(=O)N32)cc1OC ZINC000008790836 554684030 /nfs/dbraw/zinc/68/40/30/554684030.db2.gz IVTJVYKVZBURTB-HOFKKMOUSA-N 0 0 481.552 4.014 50 0 biogenic JIAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@H](C)c1ccccc1 ZINC000008791817 554685149 /nfs/dbraw/zinc/68/51/49/554685149.db2.gz KYNCVQJNDCGRKD-YYYOEXEQSA-N 0 0 479.646 4.443 50 0 biogenic JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1cccs1 ZINC000008809337 554687941 /nfs/dbraw/zinc/68/79/41/554687941.db2.gz GDYLTXCABJRKHX-BXBHGGAKSA-N 0 0 479.410 4.167 50 0 JIAARN Cc1c(S(=O)(=O)CCNC(=O)NCc2ccccc2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000008808590 554687980 /nfs/dbraw/zinc/68/79/80/554687980.db2.gz ZMOOMFYVGBMRGW-UHFFFAOYSA-N 0 0 479.577 4.410 50 0 JIAARN O=c1[nH]c(=O)n(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(C1CCCCC1)N2 ZINC000008830061 554720115 /nfs/dbraw/zinc/72/01/15/554720115.db2.gz HQCQHLHBEFCPPN-UHFFFAOYSA-N 0 0 460.378 4.059 50 0 JIAARN O=C([C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N(Cc1cccnc1)c1nc2ccccc2s1 ZINC000008842323 554740066 /nfs/dbraw/zinc/74/00/66/554740066.db2.gz NPQCBVJGXPDXLS-OAQYLSRUSA-N 0 0 496.589 4.217 50 0 JIAARN O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@H](Cn2c3ccccc3c3ccccc32)O1 ZINC000008844672 554741602 /nfs/dbraw/zinc/74/16/02/554741602.db2.gz JRHVBZPVHXACOH-QGZVFWFLSA-N 0 0 454.935 4.064 50 0 JIAARN COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OCC(C)C)c(OC)c1 ZINC000008845316 554742079 /nfs/dbraw/zinc/74/20/79/554742079.db2.gz BOHDRXIPQDLTNC-XMMPIXPASA-N 0 0 451.523 4.017 50 0 JIAARN Cc1cc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)n[nH]2)cc1C ZINC000008845334 554742242 /nfs/dbraw/zinc/74/22/42/554742242.db2.gz SCSRTARMFMXSBW-UHFFFAOYSA-N 0 0 468.579 4.216 50 0 JIAARN COc1cccc(NC(=O)Cc2csc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2)c1 ZINC000008850130 554747360 /nfs/dbraw/zinc/74/73/60/554747360.db2.gz MHEDMBVRGMAURB-UHFFFAOYSA-N 0 0 470.576 4.022 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)cc1 ZINC000008850487 554747465 /nfs/dbraw/zinc/74/74/65/554747465.db2.gz WNFKEYBRPUQIEG-HNNXBMFYSA-N 0 0 468.604 4.252 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C)cc3)cs2)cc1 ZINC000008850547 554747676 /nfs/dbraw/zinc/74/76/76/554747676.db2.gz WMJMFGDSVPPSAX-UHFFFAOYSA-N 0 0 454.577 4.322 50 0 JIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)NCc3c(F)cccc3F)cs2)cc1 ZINC000008851638 554748506 /nfs/dbraw/zinc/74/85/06/554748506.db2.gz GMJBYWXYLXTZSK-UHFFFAOYSA-N 0 0 463.531 4.020 50 0 JIAARN O=S(=O)(c1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCCO)cc1)N1CCCC1 ZINC000008854554 554749989 /nfs/dbraw/zinc/74/99/89/554749989.db2.gz VYQCZPJCSMLJNX-GYHWCHFESA-N 0 0 478.039 4.269 50 0 JIAARN Cc1ccccc1-n1c(SCC(=O)N2CCC(C(N)=O)CC2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000008860831 554757322 /nfs/dbraw/zinc/75/73/22/554757322.db2.gz IBTHALBUYBZLMY-UHFFFAOYSA-N 0 0 491.661 4.356 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008861721 554758853 /nfs/dbraw/zinc/75/88/53/554758853.db2.gz ABTDCUPWCLPOFA-VWLOTQADSA-N 0 0 474.605 4.446 50 0 JIAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2CCc2ccc(F)cc2)cc1 ZINC000008869685 554763546 /nfs/dbraw/zinc/76/35/46/554763546.db2.gz AUGBHLDSOHQBDO-NRFANRHFSA-N 0 0 457.571 4.003 50 0 JIAARN CCOC(=O)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)OCC(F)(F)F)c1ccccc1Cl ZINC000008869857 554764090 /nfs/dbraw/zinc/76/40/90/554764090.db2.gz YETSFNAMGSRZAE-KEYYUXOJSA-N 0 0 463.880 4.362 50 0 JIAARN CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000008876177 554771224 /nfs/dbraw/zinc/77/12/24/554771224.db2.gz WYENAOCVRLHAJH-DDZQDEOBSA-N 0 0 493.673 4.313 50 0 biogenic JIAARN COC(=O)[C@@H]1CCCN1C(=O)c1cc2c3ccccc3[nH]c2c(-c2cc(OC)ccc2OC)n1 ZINC000008877721 554773105 /nfs/dbraw/zinc/77/31/05/554773105.db2.gz BBGLBMKCPJOHME-NRFANRHFSA-N 0 0 459.502 4.178 50 0 biogenic JIAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2cccs2)c2ccc(OC)cc2)C1=O ZINC000008879628 554775151 /nfs/dbraw/zinc/77/51/51/554775151.db2.gz DQJVRZRMIFHWPF-VWLOTQADSA-N 0 0 463.559 4.147 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)COC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000008883723 554778407 /nfs/dbraw/zinc/77/84/07/554778407.db2.gz VXOCQXJKSMDDCB-FQEVSTJZSA-N 0 0 467.349 4.247 50 0 JIAARN Cc1ccc(-n2c(CCC(=O)OCC(=O)N[C@H]3CCCc4ccccc43)nc3ccccc3c2=O)cc1 ZINC000008884563 554778819 /nfs/dbraw/zinc/77/88/19/554778819.db2.gz XLLKUYKRRUYJIO-VWLOTQADSA-N 0 0 495.579 4.364 50 0 JIAARN COC(=O)c1sccc1NC(=O)CSc1ccccc1NC(=O)COc1ccccc1 ZINC000008888329 554779470 /nfs/dbraw/zinc/77/94/70/554779470.db2.gz RKLLFBVQBABQKQ-UHFFFAOYSA-N 0 0 456.545 4.283 50 0 JIAARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)NCc3cccnc3)c2)cc1 ZINC000008897646 554787956 /nfs/dbraw/zinc/78/79/56/554787956.db2.gz QEXWJEIUWRGHGR-UHFFFAOYSA-N 0 0 487.581 4.416 50 0 JIAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)Nc1ccccc1C(=O)NC1CC1 ZINC000008901816 554795490 /nfs/dbraw/zinc/79/54/90/554795490.db2.gz SYYGQTNIQALRPG-UHFFFAOYSA-N 0 0 484.585 4.011 50 0 JIAARN C[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4cccs4)n3C3CC3)c2C(N)=O)C1 ZINC000008901893 554795699 /nfs/dbraw/zinc/79/56/99/554795699.db2.gz ZYTWRFYJVYANGO-LLVKDONJSA-N 0 0 473.649 4.358 50 0 JIAARN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1Cl)c1ccco1 ZINC000008904597 554798997 /nfs/dbraw/zinc/79/89/97/554798997.db2.gz FHHLXPSMBCPQDM-UHFFFAOYSA-N 0 0 457.895 4.083 50 0 JIAARN O=C(COC(=O)c1cc2cc(Br)cc(Br)c2oc1=O)c1ccccc1 ZINC000008911496 554800491 /nfs/dbraw/zinc/80/04/91/554800491.db2.gz CITMLWBBDFAISC-UHFFFAOYSA-N 0 0 466.081 4.358 50 0 JIAARN O=C(c1ccc(Cn2c3cnccc3nc2SCc2ccccc2F)cc1)N1CCOCC1 ZINC000008913650 554806552 /nfs/dbraw/zinc/80/65/52/554806552.db2.gz QTTBBSFYXXNHHK-UHFFFAOYSA-N 0 0 462.550 4.383 50 0 JIAARN CCc1ccc2oc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCCC4)cc(=O)c2c1 ZINC000008917623 554813036 /nfs/dbraw/zinc/81/30/36/554813036.db2.gz TTWVKVOZJUVSDJ-MRXNPFEDSA-N 0 0 480.586 4.457 50 0 JIAARN COc1ccc(-n2nc3c(c2NC(=O)C(c2ccccc2)c2ccccc2)C[S@](=O)C3)cc1 ZINC000008919722 554816495 /nfs/dbraw/zinc/81/64/95/554816495.db2.gz WEFKPRWLJUJUTF-MGBGTMOVSA-N 0 0 457.555 4.414 50 0 JIAARN Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccccc4)cc3)CC2=O)c1 ZINC000008927363 554824773 /nfs/dbraw/zinc/82/47/73/554824773.db2.gz NEBIFGYELWJETE-JOCHJYFZSA-N 0 0 471.509 4.302 50 0 JIAARN Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccccc4)cc3)CC2=O)c1 ZINC000008927365 554824792 /nfs/dbraw/zinc/82/47/92/554824792.db2.gz NEBIFGYELWJETE-QFIPXVFZSA-N 0 0 471.509 4.302 50 0 JIAARN Cc1ccc(C)c(Oc2nc3c(c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n3C)n2C)c1 ZINC000008934457 554829137 /nfs/dbraw/zinc/82/91/37/554829137.db2.gz YBARLEZADQVQAS-UHFFFAOYSA-N 0 0 459.333 4.198 50 0 JIAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008962971 554838203 /nfs/dbraw/zinc/83/82/03/554838203.db2.gz INBUHHLRKUBEJO-UHFFFAOYSA-N 0 0 486.494 4.063 50 0 JIAARN COc1cccc(C(O)=C2[C@@H](C(C)=O)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000008964538 554838403 /nfs/dbraw/zinc/83/84/03/554838403.db2.gz BUQFKQBAPTVJQY-YIPGRGJBSA-N 0 0 464.521 4.257 50 0 biogenic JIAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)C1=O ZINC000008965575 554840456 /nfs/dbraw/zinc/84/04/56/554840456.db2.gz UHEQXBQJWPGOKI-CUNXSJBXSA-N 0 0 473.504 4.150 50 0 JIAARN COCCCn1c(SCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)nnc1-c1ccccc1Cl ZINC000008989468 554851121 /nfs/dbraw/zinc/85/11/21/554851121.db2.gz LLTUPSXCHMPHMF-NRFANRHFSA-N 0 0 487.025 4.044 50 0 JIAARN COc1c(F)c(F)cc2c(=O)c(C(=O)N3CCN(c4cccc(C)c4C)CC3)cn(C3CC3)c21 ZINC000008992308 554852995 /nfs/dbraw/zinc/85/29/95/554852995.db2.gz VTPRFUNMLUXUIF-UHFFFAOYSA-N 0 0 467.516 4.202 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3sc(C)c(C)c3c(=O)[nH]1)CCCC2 ZINC000009008066 554862237 /nfs/dbraw/zinc/86/22/37/554862237.db2.gz VELWQIKEGSEDKN-UHFFFAOYSA-N 0 0 477.633 4.449 50 0 JIAARN O=C1Nc2ccc(Br)cc2/C1=C/c1nc2ccccc2c(=O)n1-c1ccc(O)cc1 ZINC000009008535 554862779 /nfs/dbraw/zinc/86/27/79/554862779.db2.gz JSXQQINPEAOTLW-PDGQHHTCSA-N 0 0 460.287 4.347 50 0 JIAARN COc1ccccc1-n1nnnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000009056131 554874016 /nfs/dbraw/zinc/87/40/16/554874016.db2.gz KGLMEYOIUHBNKU-MRXNPFEDSA-N 0 0 482.616 4.264 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nccn1Cc1ccccc1 ZINC000009056387 554874728 /nfs/dbraw/zinc/87/47/28/554874728.db2.gz OJYNEVDMIYYJDS-UHFFFAOYSA-N 0 0 484.647 4.145 50 0 JIAARN O=S1(=O)C[C@@H]2N=C(SCCCc3ccccc3)N(c3ccc(Br)cc3)[C@@H]2C1 ZINC000009061320 554879255 /nfs/dbraw/zinc/87/92/55/554879255.db2.gz ZSLLUHHUIBGTQS-RBUKOAKNSA-N 0 0 465.438 4.157 50 0 JIAARN COc1ccc(CN(C)C(=O)NCCCCCCNC(=O)N(C)Cc2ccc(OC)cc2)cc1 ZINC000009088307 554889933 /nfs/dbraw/zinc/88/99/33/554889933.db2.gz FNOMVHVGMMNHLV-UHFFFAOYSA-N 0 0 470.614 4.247 50 0 JIAARN CCOC(=O)C1CCN(C(=O)COC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)CC1 ZINC000009096926 554895575 /nfs/dbraw/zinc/89/55/75/554895575.db2.gz CXWGFRLSDYPCKK-UHFFFAOYSA-N 0 0 489.981 4.007 50 0 JIAARN O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)C1CCCC1 ZINC000009097321 554896340 /nfs/dbraw/zinc/89/63/40/554896340.db2.gz DZGYHJKDZUGTPV-UHFFFAOYSA-N 0 0 463.987 4.106 50 0 JIAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000009109059 554897527 /nfs/dbraw/zinc/89/75/27/554897527.db2.gz PPAQNPAUHBDQFS-CWTOASCOSA-N 0 0 492.531 4.319 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc(C[S@@](=O)c3ccc(Cl)cc3)o2)c(OC)c1OC ZINC000009115673 554902591 /nfs/dbraw/zinc/90/25/91/554902591.db2.gz WIFACEWXKIKYQG-YTTGMZPUSA-N 0 0 477.966 4.239 50 0 JIAARN O=S(=O)(c1nnn2c3ccsc3c(NCc3ccccc3Cl)nc12)c1ccccc1 ZINC000009116899 554905500 /nfs/dbraw/zinc/90/55/00/554905500.db2.gz INILNBAYVGPIMS-UHFFFAOYSA-N 0 0 455.952 4.437 50 0 JIAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nn4cc(-c5ccc(OC)cc5)nc4s3)C2)cc1 ZINC000009117432 554906832 /nfs/dbraw/zinc/90/68/32/554906832.db2.gz TUCXDOOUGUCJKS-IBGZPJMESA-N 0 0 477.590 4.008 50 0 JIAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1=O ZINC000009119596 554910926 /nfs/dbraw/zinc/91/09/26/554910926.db2.gz UZFOPRNRFYPQLJ-AREMUKBSSA-N 0 0 457.486 4.390 50 0 JIAARN COc1ccc(C(C)=O)cc1COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000009120529 554913754 /nfs/dbraw/zinc/91/37/54/554913754.db2.gz ZCPUZKHDHGRURG-UHFFFAOYSA-N 0 0 479.554 4.002 50 0 JIAARN COc1cc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2cccnc2)ccc1O ZINC000009123956 554914748 /nfs/dbraw/zinc/91/47/48/554914748.db2.gz SDFUACCIJIHVQN-DEOSSOPVSA-N 0 0 456.502 4.254 50 0 JIAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)Cn2c3ccccc3nc2C(F)(F)F)c1C ZINC000009126803 554921004 /nfs/dbraw/zinc/92/10/04/554921004.db2.gz WUXJMXVPQSWHGQ-GOSISDBHSA-N 0 0 488.510 4.318 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000009128135 554924374 /nfs/dbraw/zinc/92/43/74/554924374.db2.gz JXEQUUFORMQQQP-GOSISDBHSA-N 0 0 491.975 4.452 50 0 JIAARN C[C@@H](Sc1nnc(Cc2ccccc2F)n1N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000009128195 554924565 /nfs/dbraw/zinc/92/45/65/554924565.db2.gz KZVFZZPZRJPHMQ-VXGBXAGGSA-N 0 0 468.385 4.387 50 0 JIAARN C[C@@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009129380 554927560 /nfs/dbraw/zinc/92/75/60/554927560.db2.gz JDAQKFBLWFDQMB-HXUWFJFHSA-N 0 0 479.602 4.489 50 0 JIAARN CCCOc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)s1 ZINC000009129611 554928119 /nfs/dbraw/zinc/92/81/19/554928119.db2.gz QYCFGXDCVXFMIW-UHFFFAOYSA-N 0 0 451.957 4.207 50 0 JIAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000009130494 554930212 /nfs/dbraw/zinc/93/02/12/554930212.db2.gz VYNYYROSKLYCBQ-VBKZILBWSA-N 0 0 499.734 4.463 50 0 JIAARN Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)CC1 ZINC000009152575 554940941 /nfs/dbraw/zinc/94/09/41/554940941.db2.gz OLODMPHQVUKFCF-LJQANCHMSA-N 0 0 495.645 4.112 50 0 JIAARN COc1ccc2nc(NC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)sc2c1 ZINC000009152977 554941771 /nfs/dbraw/zinc/94/17/71/554941771.db2.gz NBLLQBQHQREGQS-OAHLLOKOSA-N 0 0 477.594 4.026 50 0 JIAARN COc1ccc2nc(NC(=O)[C@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)sc2c1 ZINC000009152978 554941779 /nfs/dbraw/zinc/94/17/79/554941779.db2.gz NBLLQBQHQREGQS-HNNXBMFYSA-N 0 0 477.594 4.026 50 0 JIAARN CCc1cccc(NC(=O)Cn2c3c4cc(OC)ccc4n(C)c3c(=O)n(-c3ccccc3C)c2=O)c1 ZINC000009153771 554944138 /nfs/dbraw/zinc/94/41/38/554944138.db2.gz CUNLBIRWPFCDKP-UHFFFAOYSA-N 0 0 496.567 4.162 50 0 JIAARN Cc1ccc(Nc2nc(Oc3ccc(OCCOc4ccc(C)cc4)nn3)nc(N(C)C)n2)cc1 ZINC000009185261 554957815 /nfs/dbraw/zinc/95/78/15/554957815.db2.gz UUENPKFNVQOQDN-UHFFFAOYSA-N 0 0 473.537 4.338 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(C)C)N(C(=O)CSc3nc4cc(C)ccc4[nH]3)[C@@H]2C)cc1 ZINC000009191566 554964004 /nfs/dbraw/zinc/96/40/04/554964004.db2.gz XSXQUSQWWHTEHA-GCJKJVERSA-N 0 0 486.663 4.176 50 0 JIAARN Cn1cc([C@@H]2c3ccccc3C(=O)N2CC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000009192398 554965311 /nfs/dbraw/zinc/96/53/11/554965311.db2.gz ZOYAUPCZDMLHEG-NDEPHWFRSA-N 0 0 464.569 4.072 50 0 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CN1C(=O)Cc2cc(C(=O)CSc3nnc(N4CCCC4)n3-c3cccc(Cl)c3)ccc21 ZINC000009207277 554976379 /nfs/dbraw/zinc/97/63/79/554976379.db2.gz BQJHQIPXYAKRNK-UHFFFAOYSA-N 0 0 467.982 4.015 50 0 JIAARN Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c4=O)cc1 ZINC000009210968 554980482 /nfs/dbraw/zinc/98/04/82/554980482.db2.gz ZJNABCGHJWTKST-UHFFFAOYSA-N 0 0 470.360 4.102 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211231 554980943 /nfs/dbraw/zinc/98/09/43/554980943.db2.gz QACXLOGHKJFBIP-UHFFFAOYSA-N 0 0 483.414 4.479 50 0 JIAARN CCCCN(Cc1ccco1)C(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211214 554980980 /nfs/dbraw/zinc/98/09/80/554980980.db2.gz QFPNRXRWXBHMPZ-LJQANCHMSA-N 0 0 450.587 4.191 50 0 JIAARN CCOc1ccccc1N(CC)C(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211326 554981207 /nfs/dbraw/zinc/98/12/07/554981207.db2.gz VOZIRPZPGMVQAC-UHFFFAOYSA-N 0 0 462.598 4.221 50 0 JIAARN COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@H](C(C)C)OC3 ZINC000009216434 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CNC(=O)c1cccc(NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)c1 ZINC000009463041 555232761 /nfs/dbraw/zinc/23/27/61/555232761.db2.gz YGWFAVBXNRNTOV-AHWVRZQESA-N 0 0 471.557 4.486 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CSc1n[nH]c(-c2ccccc2)n1 ZINC000009463180 555232956 /nfs/dbraw/zinc/23/29/56/555232956.db2.gz PAAGBHPWWDLDRB-UHFFFAOYSA-N 0 0 483.903 4.333 50 0 JIAARN CCOc1cc(Br)c(Cn2cnc3c(cnn3-c3ccccc3)c2=O)cc1OCC ZINC000009464300 555236089 /nfs/dbraw/zinc/23/60/89/555236089.db2.gz NBTCYXCDKGOOSJ-UHFFFAOYSA-N 0 0 469.339 4.190 50 0 JIAARN Cc1cccc(-c2nnc(SCC(=O)NCC(=O)Nc3cccc(C)c3C)n2Cc2ccco2)c1 ZINC000009464861 555237943 /nfs/dbraw/zinc/23/79/43/555237943.db2.gz BVOBCFBDSREHNI-UHFFFAOYSA-N 0 0 489.601 4.359 50 0 JIAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CC=C(c2ccccc2)CC1 ZINC000009464904 555238223 /nfs/dbraw/zinc/23/82/23/555238223.db2.gz NMXUGUKCKQIBJN-UHFFFAOYSA-N 0 0 465.594 4.048 50 0 JIAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000009465217 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/nfs/dbraw/zinc/41/39/78/555413978.db2.gz BSIFVVXMHPMQME-UHFFFAOYSA-N 0 0 461.628 4.385 50 0 JIAARN O=C(CCCn1c(=O)c2sccc2n(Cc2ccc(Cl)cc2)c1=O)NCc1ccccc1 ZINC000009598990 555417788 /nfs/dbraw/zinc/41/77/88/555417788.db2.gz YAHIREPJIJEMFS-UHFFFAOYSA-N 0 0 467.978 4.023 50 0 JIAARN Cc1cccc(Cn2c3ccsc3c(=O)n(CCCCCC(=O)NCc3ccccc3)c2=O)c1 ZINC000009598917 555417810 /nfs/dbraw/zinc/41/78/10/555417810.db2.gz XYLZMMCSPYSGAC-UHFFFAOYSA-N 0 0 475.614 4.458 50 0 JIAARN Cc1ccc(Cn2c3ccsc3c(=O)n(CCCCCC(=O)NCc3ccccc3)c2=O)cc1 ZINC000009598912 555417849 /nfs/dbraw/zinc/41/78/49/555417849.db2.gz QBQRNWUCFYPDPO-UHFFFAOYSA-N 0 0 475.614 4.458 50 0 JIAARN O=C(CSc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1)NCc1ccc(F)cc1 ZINC000009599920 555420993 /nfs/dbraw/zinc/42/09/93/555420993.db2.gz LDWGAWUSSFUORG-UHFFFAOYSA-N 0 0 470.473 4.357 50 0 JIAARN Cc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccco4)cc3n(Cc3ccccc3C)c2=O)cc1 ZINC000009692700 555421117 /nfs/dbraw/zinc/42/11/17/555421117.db2.gz VWWXGSQTZQJBNO-UHFFFAOYSA-N 0 0 479.536 4.341 50 0 JIAARN CCOCCCNC(=O)[C@H](c1ccccc1)N(Cc1cccs1)C(=O)c1ccc2c(c1)OCO2 ZINC000009601405 555426103 /nfs/dbraw/zinc/42/61/03/555426103.db2.gz AYOSJEYEZDKTKL-DEOSSOPVSA-N 0 0 480.586 4.403 50 0 JIAARN CC1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCC(=O)c2ccc(N(C)C)cc2)CC1 ZINC000009602059 555428231 /nfs/dbraw/zinc/42/82/31/555428231.db2.gz MPGGSBUQUAPNMW-HTIOENIKSA-N 0 0 450.579 4.032 50 0 JIAARN COc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nc3c(c2=O)SCC3)cc1OC ZINC000009603049 555429198 /nfs/dbraw/zinc/42/91/98/555429198.db2.gz RGGDYYGFPRHCPH-UHFFFAOYSA-N 0 0 483.615 4.246 50 0 JIAARN COc1ccc(NC(=O)/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)cc1 ZINC000009705097 555429859 /nfs/dbraw/zinc/42/98/59/555429859.db2.gz RLTGWGZUXCIQHQ-MOSHPQCFSA-N 0 0 461.499 4.005 50 0 JIAARN CCOc1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1S(=O)(=O)N1CCCC1 ZINC000009604001 555430531 /nfs/dbraw/zinc/43/05/31/555430531.db2.gz BOCGAGDLDLXHRY-UHFFFAOYSA-N 0 0 489.981 4.089 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N(Cc1ccc(F)cc1)C1CC1 ZINC000009605289 555431795 /nfs/dbraw/zinc/43/17/95/555431795.db2.gz TYQDPMQJTOIRCB-UHFFFAOYSA-N 0 0 484.515 4.436 50 0 JIAARN C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009711850 555434684 /nfs/dbraw/zinc/43/46/84/555434684.db2.gz RVKDUXDBWRUXNF-OAHLLOKOSA-N 0 0 455.609 4.297 50 0 JIAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1SCc1nnc(-c2ccco2)o1 ZINC000009608323 555435356 /nfs/dbraw/zinc/43/53/56/555435356.db2.gz XDKLJHDYQBKOFS-UHFFFAOYSA-N 0 0 473.580 4.166 50 0 JIAARN Nc1ncnc2sc3c(c21)CCN(C(=O)c1cc(-c2cccs2)nn1-c1ccccc1)C3 ZINC000009713034 555438446 /nfs/dbraw/zinc/43/84/46/555438446.db2.gz NCLHJOLDPTXQKY-UHFFFAOYSA-N 0 0 458.572 4.386 50 0 JIAARN COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)NC4CCCCCC4)c(C)n3n2)c1 ZINC000009610163 555440087 /nfs/dbraw/zinc/44/00/87/555440087.db2.gz XFBYUSOXLMSOPX-UHFFFAOYSA-N 0 0 451.571 4.197 50 0 JIAARN CCCCN(CCCC)C(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000009610548 555441055 /nfs/dbraw/zinc/44/10/55/555441055.db2.gz ZOXBOUSJMPDBBB-XMMPIXPASA-N 0 0 471.623 4.020 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000009610579 555441407 /nfs/dbraw/zinc/44/14/07/555441407.db2.gz UYIDAQXVKIMMAQ-QHCPKHFHSA-N 0 0 483.977 4.191 50 0 JIAARN CC1(C)Cc2nc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)sc2C(=O)C1 ZINC000009714925 555445641 /nfs/dbraw/zinc/44/56/41/555445641.db2.gz HTOKCLDQEMNACF-UHFFFAOYSA-N 0 0 473.551 4.490 50 0 JIAARN COC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCCCC1 ZINC000009613139 555447900 /nfs/dbraw/zinc/44/79/00/555447900.db2.gz OSXVJIDSPQIRSJ-UHFFFAOYSA-N 0 0 498.601 4.200 50 0 JIAARN CC1(C)Cc2cccc(OCC(=O)OCc3nc(=O)c4c(-c5ccccc5)csc4[nH]3)c2O1 ZINC000009613235 555448496 /nfs/dbraw/zinc/44/84/96/555448496.db2.gz AHPFQHXZSKCGOQ-UHFFFAOYSA-N 0 0 462.527 4.487 50 0 JIAARN C[C@@H](c1nnc(SCc2nc(=O)c3c4c(sc3[nH]2)CCC4)n1-c1ccc(F)cc1)N(C)C ZINC000009716496 555450009 /nfs/dbraw/zinc/45/00/09/555450009.db2.gz XQVWWEFHOVXWIJ-LBPRGKRZSA-N 0 0 470.599 4.108 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000009716847 555450714 /nfs/dbraw/zinc/45/07/14/555450714.db2.gz GVPYZBWASZCSEZ-UHFFFAOYSA-N 0 0 489.626 4.073 50 0 JIAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1=O ZINC000009614239 555450772 /nfs/dbraw/zinc/45/07/72/555450772.db2.gz OFZBCWKPJITLHB-RNWIMVQKSA-N 0 0 499.567 4.132 50 0 JIAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@@H](C)NC(=O)c1ccccc1OC ZINC000009615039 555452045 /nfs/dbraw/zinc/45/20/45/555452045.db2.gz HZFLAPDUNBCHFQ-OAHLLOKOSA-N 0 0 488.013 4.490 50 0 JIAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1ccccc1OC ZINC000009615033 555452051 /nfs/dbraw/zinc/45/20/51/555452051.db2.gz HLMPTHHKRTZIJK-AWEZNQCLSA-N 0 0 473.986 4.182 50 0 JIAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)NCCc1ccccc1 ZINC000009720566 555452246 /nfs/dbraw/zinc/45/22/46/555452246.db2.gz JIKOYCIJVGVJNG-UHFFFAOYSA-N 0 0 479.440 4.131 50 0 JIAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c2=O)CCCC4)cc1 ZINC000009615373 555452597 /nfs/dbraw/zinc/45/25/97/555452597.db2.gz OGBOVSAXOUTHRJ-ROUUACIJSA-N 0 0 479.646 4.160 50 0 JIAARN Cc1ccc(C)c(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc32)c1 ZINC000009721546 555453587 /nfs/dbraw/zinc/45/35/87/555453587.db2.gz RNHKNDOZLFDGMT-DEOSSOPVSA-N 0 0 473.598 4.058 50 0 JIAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2)C1 ZINC000009721619 555453603 /nfs/dbraw/zinc/45/36/03/555453603.db2.gz MAFKERUSPFDPAU-DXRVJIQQSA-N 0 0 455.536 4.094 50 0 JIAARN COc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000009722473 555454209 /nfs/dbraw/zinc/45/42/09/555454209.db2.gz RERKYMBVWQOCTH-FLIBITNWSA-N 0 0 499.564 4.341 50 0 JIAARN COc1cc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc(OC)c1 ZINC000009723219 555454681 /nfs/dbraw/zinc/45/46/81/555454681.db2.gz NMDRVWARRUJPMN-UHFFFAOYSA-N 0 0 486.594 4.001 50 0 JIAARN COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)OCC(=O)c2ccc(Cl)cc2)cc1OC ZINC000009724460 555456967 /nfs/dbraw/zinc/45/69/67/555456967.db2.gz OBSRLBUWXFSITG-OAQYLSRUSA-N 0 0 481.932 4.124 50 0 biogenic JIAARN O=C(c1c[nH]c2ccccc21)[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1ccccc1 ZINC000009726436 555459892 /nfs/dbraw/zinc/45/98/92/555459892.db2.gz UUCJGRMRLYLDQT-IVZQSRNASA-N 0 0 467.572 4.244 50 0 JIAARN CC[C@H](C)n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000009631195 555459901 /nfs/dbraw/zinc/45/99/01/555459901.db2.gz WUDYBVYGQQHGBP-ZDUSSCGKSA-N 0 0 470.620 4.138 50 0 JIAARN CCn1c(S[C@@H](C)C(=O)N2CCNC2=O)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000009727649 555461334 /nfs/dbraw/zinc/46/13/34/555461334.db2.gz XTWOWHNRVIZYTQ-INIZCTEOSA-N 0 0 472.574 4.213 50 0 JIAARN CCn1c(S[C@H](C)C(=O)N2CCNC2=O)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000009727650 555461367 /nfs/dbraw/zinc/46/13/67/555461367.db2.gz XTWOWHNRVIZYTQ-MRXNPFEDSA-N 0 0 472.574 4.213 50 0 JIAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)s2)c1C ZINC000009632054 555462427 /nfs/dbraw/zinc/46/24/27/555462427.db2.gz LBXUNMUKRPDOSV-UHFFFAOYSA-N 0 0 455.609 4.466 50 0 JIAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)=O)ccc1OC ZINC000009632418 555463636 /nfs/dbraw/zinc/46/36/36/555463636.db2.gz KXMWRPSQCLBKFN-UHFFFAOYSA-N 0 0 466.559 4.361 50 0 JIAARN COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)CC1 ZINC000009730045 555464874 /nfs/dbraw/zinc/46/48/74/555464874.db2.gz JKMKVYQWYWLILI-UHFFFAOYSA-N 0 0 489.601 4.285 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)C(=O)Nc4ccc(C)c(F)c4)cc32)cc1 ZINC000009739300 555470913 /nfs/dbraw/zinc/47/09/13/555470913.db2.gz HXYWJIRCPGNGGP-UHFFFAOYSA-N 0 0 481.549 4.161 50 0 JIAARN O=S(=O)(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009740758 555471910 /nfs/dbraw/zinc/47/19/10/555471910.db2.gz DPDMJLRITONJOA-SFHVURJKSA-N 0 0 460.360 4.080 50 0 JIAARN CCn1c(SCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)nnc1-c1ccco1 ZINC000009741059 555472436 /nfs/dbraw/zinc/47/24/36/555472436.db2.gz FLGYXUNRVBMYTJ-UHFFFAOYSA-N 0 0 463.567 4.274 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000009742351 555473922 /nfs/dbraw/zinc/47/39/22/555473922.db2.gz PJZHRYFOZDRAOR-QHCPKHFHSA-N 0 0 467.591 4.062 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(NC(=O)Nc3ccc(F)cc3)s2)c(OC)c1 ZINC000009743578 555475079 /nfs/dbraw/zinc/47/50/79/555475079.db2.gz VTMTXBVPTWOCNA-UHFFFAOYSA-N 0 0 463.516 4.069 50 0 JIAARN CCCCCCOc1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000013510677 555482774 /nfs/dbraw/zinc/48/27/74/555482774.db2.gz UZAGCMRMEXMEHQ-JOCHJYFZSA-N 0 0 489.634 4.492 50 0 JIAARN CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c(C)c(C)c2cc1Cl ZINC000013513548 555484550 /nfs/dbraw/zinc/48/45/50/555484550.db2.gz TYBZOAZCXDCTRB-GOSISDBHSA-N 0 0 463.939 4.034 50 0 JIAARN CCn1c(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)nnc1-c1ccncc1 ZINC000009754694 555484966 /nfs/dbraw/zinc/48/49/66/555484966.db2.gz MXROGHNROLMGAN-UHFFFAOYSA-N 0 0 464.620 4.468 50 0 JIAARN CC1(C)Cc2cccc(OCCCS(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2O1 ZINC000013521484 555486209 /nfs/dbraw/zinc/48/62/09/555486209.db2.gz VGCMTYFYYWMSRP-UHFFFAOYSA-N 0 0 498.567 4.340 50 0 JIAARN CCOC(=O)c1nn(-c2ccccc2Cl)c(=O)cc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000009761931 555487051 /nfs/dbraw/zinc/48/70/51/555487051.db2.gz JCHAVHAHIDOAEL-UHFFFAOYSA-N 0 0 476.316 4.042 50 0 JIAARN Cc1sc2ncnc(N3CCC(C(=O)Nc4cc(S(C)(=O)=O)ccc4Cl)CC3)c2c1C ZINC000009765709 555490981 /nfs/dbraw/zinc/49/09/81/555490981.db2.gz LXWGRTJIZBKHFP-UHFFFAOYSA-N 0 0 479.027 4.220 50 0 JIAARN CCCCn1nnnc1CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1F ZINC000009768099 555492140 /nfs/dbraw/zinc/49/21/40/555492140.db2.gz WPUHTIPIKVUQIJ-UHFFFAOYSA-N 0 0 499.572 4.178 50 0 JIAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCN(CCO)CC1)occ3-c1ccc(Cl)cc1 ZINC000013552401 555492509 /nfs/dbraw/zinc/49/25/09/555492509.db2.gz FYFVWKGIUDQPAO-UHFFFAOYSA-N 0 0 494.975 4.237 50 0 JIAARN CSc1nc2sc3c(c2c2nnc(SCC(=O)NCc4ccccc4)n21)CC(C)(C)OC3 ZINC000013554937 555493532 /nfs/dbraw/zinc/49/35/32/555493532.db2.gz 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COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(Cl)cc3)n2)c1OC ZINC000015670397 555925934 /nfs/dbraw/zinc/92/59/34/555925934.db2.gz FKTMJURERGGKOJ-QGZVFWFLSA-N 0 0 476.924 4.177 50 0 JIAARN CCOc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(Cl)cc3)n2)ccc1O ZINC000015670407 555926011 /nfs/dbraw/zinc/92/60/11/555926011.db2.gz RXUINMDPGKCCCF-QGZVFWFLSA-N 0 0 476.924 4.265 50 0 JIAARN CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2cccc(OC)c2)n1 ZINC000015670468 555926235 /nfs/dbraw/zinc/92/62/35/555926235.db2.gz RAFQOTBCQHKXFU-FQEVSTJZSA-N 0 0 470.533 4.304 50 0 JIAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(Br)c3)n2)c1 ZINC000015670523 555926529 /nfs/dbraw/zinc/92/65/29/555926529.db2.gz JKGQKBGPWXQAJO-SFHVURJKSA-N 0 0 491.349 4.278 50 0 JIAARN O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)c1cccc(-c3ccccc3F)c1)CC2 ZINC000012152810 555927019 /nfs/dbraw/zinc/92/70/19/555927019.db2.gz GRCPBQKHIZOFPC-DEOSSOPVSA-N 0 0 457.549 4.489 50 0 JIAARN CCOc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)ccc1OC ZINC000015670653 555927131 /nfs/dbraw/zinc/92/71/31/555927131.db2.gz LVQXMHADCCALCB-GOSISDBHSA-N 0 0 474.496 4.053 50 0 JIAARN O=C(C[C@@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000012161226 555931004 /nfs/dbraw/zinc/93/10/04/555931004.db2.gz DQURCDHZDQZVST-DYLHXGEVSA-N 0 0 450.604 4.374 50 0 JIAARN C[C@H](c1cccs1)N(C)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000012162827 555931580 /nfs/dbraw/zinc/93/15/80/555931580.db2.gz DZTVBVKTQUJYOB-DNOBIOAJSA-N 0 0 490.581 4.283 50 0 JIAARN COc1ccc(-c2cc(C)cc3c2O[C@@H](CNC(=O)[C@@H]2CCCc4c5ccccc5[nH]c42)C3)nn1 ZINC000012182531 555935398 /nfs/dbraw/zinc/93/53/98/555935398.db2.gz HBHQJMHSZDFYSB-WIYYLYMNSA-N 0 0 468.557 4.482 50 0 JIAARN COC(=O)c1cc(CNC(=O)c2ccccc2)cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000012185675 555936721 /nfs/dbraw/zinc/93/67/21/555936721.db2.gz PIVSLNGYEQHXMB-UHFFFAOYSA-N 0 0 492.475 4.223 50 0 JIAARN COc1ccccc1OC1CCN(C(=O)c2ccc(-n3cc(NC(=O)c4ccoc4)cn3)cc2)CC1 ZINC000012191015 555938221 /nfs/dbraw/zinc/93/82/21/555938221.db2.gz SWWFFJUGACSYGZ-UHFFFAOYSA-N 0 0 486.528 4.410 50 0 JIAARN O=C(CCc1ccccc1)N1CCN(Cc2cc(=O)c(OCc3ccccc3Cl)co2)CC1 ZINC000022631080 555940436 /nfs/dbraw/zinc/94/04/36/555940436.db2.gz KFFMXFQVUQOTFZ-UHFFFAOYSA-N 0 0 466.965 4.149 50 0 JIAARN COC(=O)CCCC(=O)N1CCN(C[C@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000022648729 555940805 /nfs/dbraw/zinc/94/08/05/555940805.db2.gz PKFRTHLPDOXYRH-DEOSSOPVSA-N 0 0 473.013 4.394 50 0 JIAARN Cc1cccc(N2CCN(C(=O)CN3c4cccnc4Sc4ccccc4C3=O)C[C@@H]2C)c1 ZINC000015677994 555942425 /nfs/dbraw/zinc/94/24/25/555942425.db2.gz VJWBTHUVZBPURS-IBGZPJMESA-N 0 0 458.587 4.239 50 0 JIAARN COc1cccc(N2CCN(C(=O)c3cc(C)nc4c3c(C)nn4-c3ccc(C)cc3)CC2)c1 ZINC000015678468 555943691 /nfs/dbraw/zinc/94/36/91/555943691.db2.gz QHVBNCBNQMAWSA-UHFFFAOYSA-N 0 0 455.562 4.317 50 0 JIAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)C2)c1OC ZINC000015679504 555945459 /nfs/dbraw/zinc/94/54/59/555945459.db2.gz SLSQOCOHHKBOJR-GOSISDBHSA-N 0 0 495.580 4.147 50 0 JIAARN CN(C)c1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3F)c3ccccc32)cc1 ZINC000015680834 555949392 /nfs/dbraw/zinc/94/93/92/555949392.db2.gz PXJNXTCDIOCRQL-UHFFFAOYSA-N 0 0 465.550 4.459 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2)c1 ZINC000012311510 555949917 /nfs/dbraw/zinc/94/99/17/555949917.db2.gz KGYMFOFQSHEEBX-UHFFFAOYSA-N 0 0 496.585 4.092 50 0 JIAARN CCC[C@H](NC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1)c1cccs1 ZINC000015681020 555949941 /nfs/dbraw/zinc/94/99/41/555949941.db2.gz ABICAISUOSSJDF-SFHVURJKSA-N 0 0 452.628 4.488 50 0 JIAARN O=C(CSC1=Nc2c(cnn2-c2ccccc2)C2=NCCCN12)Nc1ccc(Cl)cc1 ZINC000012321602 555951682 /nfs/dbraw/zinc/95/16/82/555951682.db2.gz WOWOLKMFWURFLB-UHFFFAOYSA-N 0 0 450.955 4.351 50 0 JIAARN CC1(C)C[C@H](n2c(=O)c3c4c(sc3n(CC(=O)c3ccccc3)c2=O)CCCC4)CCO1 ZINC000012322497 555952471 /nfs/dbraw/zinc/95/24/71/555952471.db2.gz KTWXXYHPMZDZHI-QGZVFWFLSA-N 0 0 452.576 4.117 50 0 JIAARN Cc1ccc(CCNC(=O)CCn2ccc3cc(S(=O)(=O)N4CCCCCC4)ccc32)cc1 ZINC000015722364 555957121 /nfs/dbraw/zinc/95/71/21/555957121.db2.gz BBAUICQCAPINCA-UHFFFAOYSA-N 0 0 467.635 4.263 50 0 JIAARN Cc1ccc(CNC(=O)CN2C(=O)[C@@]3(SCC(=O)N3c3ccc(F)cc3)c3cccc(C)c32)cc1 ZINC000012360983 555957519 /nfs/dbraw/zinc/95/75/19/555957519.db2.gz KQUXKYDVPGGICZ-MHZLTWQESA-N 0 0 489.572 4.038 50 0 JIAARN COc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1OC ZINC000012361702 555957977 /nfs/dbraw/zinc/95/79/77/555957977.db2.gz BOJQUQZJFJGTQN-OAQYLSRUSA-N 0 0 466.481 4.318 50 0 JIAARN CCOC(=O)C1CC[NH+]([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(C)c2)CC1 ZINC000022852328 555959592 /nfs/dbraw/zinc/95/95/92/555959592.db2.gz CABNULGHSNNNKO-IBGZPJMESA-N 0 0 466.563 4.429 50 0 JIAARN COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000015725601 555962679 /nfs/dbraw/zinc/96/26/79/555962679.db2.gz SCPRKDNLDSWYTJ-NDEPHWFRSA-N 0 0 494.595 4.081 50 0 JIAARN O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C1=O)c1ccc(F)cc1 ZINC000012376276 555963830 /nfs/dbraw/zinc/96/38/30/555963830.db2.gz FWGNKSYGGLJGHP-XMMPIXPASA-N 0 0 469.438 4.346 50 0 JIAARN O=C(Cn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21)Nc1cccc(Br)c1 ZINC000012376467 555964137 /nfs/dbraw/zinc/96/41/37/555964137.db2.gz DBKGVZPPZXJSBY-UHFFFAOYSA-N 0 0 490.357 4.333 50 0 biogenic,in-vitro JIAARN COc1ccccc1N1CCN(C(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000012381673 555970077 /nfs/dbraw/zinc/97/00/77/555970077.db2.gz UKRUTNWWHDVLLA-UHFFFAOYSA-N 0 0 463.622 4.194 50 0 JIAARN O=S(=O)(c1ccc(F)cc1)N(Cc1cc(CN2CCOCC2)cs1)c1ccc(F)cc1 ZINC000015730238 555972337 /nfs/dbraw/zinc/97/23/37/555972337.db2.gz GSRXILLSPXMWTI-UHFFFAOYSA-N 0 0 464.559 4.254 50 0 JIAARN CC1(C)Cc2c(sc3c2c(=O)n([C@@H]2CCOC(C)(C)C2)c(=O)n3Cc2ccccc2)CO1 ZINC000012389949 555972968 /nfs/dbraw/zinc/97/29/68/555972968.db2.gz YWZGLHOLOIZPCW-QGZVFWFLSA-N 0 0 454.592 4.254 50 0 JIAARN O=C(Nc1ccc(Br)cc1Cl)c1cc(Br)ccc1-n1cnnn1 ZINC000012390950 555974302 /nfs/dbraw/zinc/97/43/02/555974302.db2.gz LWMWTFTYTCFFBN-UHFFFAOYSA-N 0 0 457.513 4.093 50 0 JIAARN C[C@@H]1CSc2ccc(S(=O)(=O)N(Cc3ccc(F)cc3)Cc3cccnc3)cc2NC1=O ZINC000015731208 555974361 /nfs/dbraw/zinc/97/43/61/555974361.db2.gz QHEDEYMPFRWUAK-MRXNPFEDSA-N 0 0 471.579 4.292 50 0 JIAARN Cc1ccc(C)c(NC(=O)CSc2ncc3c(n2)-c2cc(Cl)ccc2N(C)S3(=O)=O)c1 ZINC000015731786 555975385 /nfs/dbraw/zinc/97/53/85/555975385.db2.gz AVOVMLBSUZAFFQ-UHFFFAOYSA-N 0 0 474.995 4.283 50 0 JIAARN COc1ccc(-c2nc(SCc3cc(=O)n4nc(C5CCCCC5)sc4n3)n[nH]2)cc1 ZINC000015731927 555975630 /nfs/dbraw/zinc/97/56/30/555975630.db2.gz YAWPEAUDAMGIRR-UHFFFAOYSA-N 0 0 454.581 4.285 50 0 JIAARN C[C@@H](NC(=O)CSc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)s1)c1ccccc1 ZINC000012401933 555976003 /nfs/dbraw/zinc/97/60/03/555976003.db2.gz KITPITBFJHESBB-IYBDPMFKSA-N 0 0 472.661 4.477 50 0 JIAARN CCOc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)Nc3ccc(C)cc3Cl)n2)cc1 ZINC000015732640 555977021 /nfs/dbraw/zinc/97/70/21/555977021.db2.gz NKUWCCPPJIUUMH-UHFFFAOYSA-N 0 0 469.954 4.176 50 0 JIAARN CC1=C(c2ccc(F)cc2)S(=O)(=O)N(Cc2ccc(C(=O)Nc3ccccc3F)cc2)C1=O ZINC000015732889 555977343 /nfs/dbraw/zinc/97/73/43/555977343.db2.gz RZEQMPALTNWFTE-UHFFFAOYSA-N 0 0 468.481 4.320 50 0 JIAARN CCc1cc2c(cc1S(=O)(=O)N1CCN(Cc3ccccc3)CC1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000015733830 555979406 /nfs/dbraw/zinc/97/94/06/555979406.db2.gz VWEBMCCSCPHYHL-UHFFFAOYSA-N 0 0 479.646 4.392 50 0 JIAARN CCOc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)ccc1OCCOc1ccccc1 ZINC000015736129 555982981 /nfs/dbraw/zinc/98/29/81/555982981.db2.gz CYUYGRHQQUGNOQ-UHFFFAOYSA-N 0 0 498.601 4.354 50 0 JIAARN O=C(CN1CCN(CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CC1)N1CCCCC1 ZINC000022930287 555983522 /nfs/dbraw/zinc/98/35/22/555983522.db2.gz UHIHKAKOGGEJPQ-UHFFFAOYSA-N 0 0 485.053 4.099 50 0 JIAARN O=C(CCN1CCN(Cc2ccc(Br)s2)CC1)Nc1ccc(Cl)cc1F ZINC000022932390 555985278 /nfs/dbraw/zinc/98/52/78/555985278.db2.gz XLQYJIRJEFEWLL-UHFFFAOYSA-N 0 0 460.800 4.450 50 0 JIAARN O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)[C@H]1CC=CCC1 ZINC000015766445 555985590 /nfs/dbraw/zinc/98/55/90/555985590.db2.gz UXOMCYCTAUOBGE-KRWDZBQOSA-N 0 0 475.998 4.272 50 0 JIAARN O=C(Cc1cn2ccsc2n1)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000015764542 555985597 /nfs/dbraw/zinc/98/55/97/555985597.db2.gz FMWZLVHXFXTRNJ-UHFFFAOYSA-N 0 0 494.642 4.220 50 0 JIAARN O=C(CN1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1)Nc1ccccc1C(F)(F)F ZINC000022933599 555986350 /nfs/dbraw/zinc/98/63/50/555986350.db2.gz YZIHXPSBQRASSD-UHFFFAOYSA-N 0 0 479.890 4.165 50 0 JIAARN CCOc1ccc(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000015768938 555987590 /nfs/dbraw/zinc/98/75/90/555987590.db2.gz UHRNHOFZUVJVSJ-UHFFFAOYSA-N 0 0 484.574 4.245 50 0 JIAARN CCOc1ccc(CCNC(=O)C2CCN(c3nc4cccnc4s3)CC2)cc1OCC ZINC000015770177 555988723 /nfs/dbraw/zinc/98/87/23/555988723.db2.gz CLABKEHNICVXJN-UHFFFAOYSA-N 0 0 454.596 4.064 50 0 JIAARN CCC(CC)C(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)cc1 ZINC000015771781 555990493 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ZINC000012915581 556134602 /nfs/dbraw/zinc/13/46/02/556134602.db2.gz FZWBJGMBPWGQSB-MRXNPFEDSA-N 0 0 457.349 4.327 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc4ccccc4c3)CC2)cc1 ZINC000012915504 556134705 /nfs/dbraw/zinc/13/47/05/556134705.db2.gz FOWLXHILVVJHLC-UHFFFAOYSA-N 0 0 464.587 4.102 50 0 JIAARN CC(=O)NCc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)s1 ZINC000012916645 556135854 /nfs/dbraw/zinc/13/58/54/556135854.db2.gz ZQLKLBOLYLTFQO-UHFFFAOYSA-N 0 0 470.620 4.174 50 0 JIAARN CCc1ccc(Nc2nnc(SCC(=O)Nc3ccc(CN4CCOCC4)cc3)s2)cc1 ZINC000024574335 556136837 /nfs/dbraw/zinc/13/68/37/556136837.db2.gz POQKQHLWKFCQDF-UHFFFAOYSA-N 0 0 469.636 4.407 50 0 JIAARN Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)nn1-c1ccccc1Cl ZINC000012918178 556137070 /nfs/dbraw/zinc/13/70/70/556137070.db2.gz SSDWJSDFLSWDPM-UHFFFAOYSA-N 0 0 464.997 4.276 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000024595355 556137715 /nfs/dbraw/zinc/13/77/15/556137715.db2.gz RQIXQLDQIAZKFX-JOCHJYFZSA-N 0 0 457.574 4.406 50 0 JIAARN Cc1ccc([C@@H](NCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2cccs2)cc1 ZINC000012920799 556139340 /nfs/dbraw/zinc/13/93/40/556139340.db2.gz PEZOMQQOILXIKJ-XMMPIXPASA-N 0 0 469.632 4.159 50 0 JIAARN CC(C)(C)NC(=O)c1ccccc1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000024607878 556139343 /nfs/dbraw/zinc/13/93/43/556139343.db2.gz QVKABLMCOSYKPW-UHFFFAOYSA-N 0 0 481.549 4.168 50 0 JIAARN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)N1CCC(Cc2ccccc2)CC1 ZINC000024608135 556139690 /nfs/dbraw/zinc/13/96/90/556139690.db2.gz GBRHCXJVQVKYPS-UHFFFAOYSA-N 0 0 464.562 4.483 50 0 JIAARN O=C(NCCSCc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000024609796 556140153 /nfs/dbraw/zinc/14/01/53/556140153.db2.gz JNXCZHIMHHWCRR-UHFFFAOYSA-N 0 0 485.046 4.071 50 0 JIAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc4ccccc4c3)CC2)c1 ZINC000012921894 556140545 /nfs/dbraw/zinc/14/05/45/556140545.db2.gz WWCASJCWDJBCCV-GOSISDBHSA-N 0 0 464.587 4.321 50 0 JIAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)c1 ZINC000024611805 556141265 /nfs/dbraw/zinc/14/12/65/556141265.db2.gz LNNULOAJVGEMTE-UHFFFAOYSA-N 0 0 454.636 4.018 50 0 JIAARN CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1 ZINC000024613581 556142005 /nfs/dbraw/zinc/14/20/05/556142005.db2.gz JOXSBLOVFDJVIA-UHFFFAOYSA-N 0 0 454.951 4.058 50 0 JIAARN CSc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613623 556142361 /nfs/dbraw/zinc/14/23/61/556142361.db2.gz IONKFIVUCGUCRN-UHFFFAOYSA-N 0 0 456.992 4.382 50 0 JIAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccccc1OCC(=O)Nc1ccccc1F ZINC000024643575 556143707 /nfs/dbraw/zinc/14/37/07/556143707.db2.gz QBHSOZHUXLNWLB-UHFFFAOYSA-N 0 0 469.900 4.207 50 0 JIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000012927085 556145208 /nfs/dbraw/zinc/14/52/08/556145208.db2.gz SKQZZYDAQCTOIJ-DEOSSOPVSA-N 0 0 467.591 4.154 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N(Cc1ccccc1F)C1CC1 ZINC000012928731 556146428 /nfs/dbraw/zinc/14/64/28/556146428.db2.gz TZZTYLGRWHRGMF-UHFFFAOYSA-N 0 0 450.963 4.071 50 0 JIAARN COc1ccc(NC(=O)Nc2cccc([C@H]3NC(=S)N(C)C(C)=C3C(=O)OC(C)C)c2)c(OC)c1 ZINC000016610975 556146986 /nfs/dbraw/zinc/14/69/86/556146986.db2.gz GLSJXVMPJLRYLC-JOCHJYFZSA-N 0 0 498.605 4.434 50 0 JIAARN CCN1C(=S)N[C@@H](c2cccc(NC(=O)Nc3ccccc3OC)c2)C(C(=O)OCCOC)=C1C ZINC000016611125 556147456 /nfs/dbraw/zinc/14/74/56/556147456.db2.gz JBLDLMISIONESO-QFIPXVFZSA-N 0 0 498.605 4.054 50 0 JIAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)c1 ZINC000012934966 556150494 /nfs/dbraw/zinc/15/04/94/556150494.db2.gz ZUTQZBNXYAQNEU-UHFFFAOYSA-N 0 0 462.516 4.339 50 0 JIAARN COc1ccc(C(=O)OCC(=O)N(CC(F)(F)F)[C@H](C)C2CC2)cc1OCc1ccccn1 ZINC000024761061 556151476 /nfs/dbraw/zinc/15/14/76/556151476.db2.gz XFAKAEIJIAPOJX-OAHLLOKOSA-N 0 0 466.456 4.015 50 0 JIAARN Cc1cccn2c(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)c(-c3ccccc3)nc12 ZINC000024769873 556153570 /nfs/dbraw/zinc/15/35/70/556153570.db2.gz JYTPVAXSUPAEHE-GOSISDBHSA-N 0 0 454.486 4.030 50 0 JIAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C ZINC000024769550 556153596 /nfs/dbraw/zinc/15/35/96/556153596.db2.gz PKCIGSCNVDJMIK-LJQANCHMSA-N 0 0 457.983 4.039 50 0 JIAARN CC(=O)Nc1nc(C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cs1 ZINC000024774193 556154183 /nfs/dbraw/zinc/15/41/83/556154183.db2.gz PPHNFQTZJUGUNZ-UHFFFAOYSA-N 0 0 461.012 4.441 50 0 JIAARN C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)Cc1ccccc1OC(F)(F)F ZINC000024774540 556154478 /nfs/dbraw/zinc/15/44/78/556154478.db2.gz NWMACDWUNVDVCK-LBPRGKRZSA-N 0 0 459.262 4.125 50 0 JIAARN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000012942433 556155571 /nfs/dbraw/zinc/15/55/71/556155571.db2.gz BFZAAHXXBRVAJX-OAHLLOKOSA-N 0 0 472.950 4.403 50 0 JIAARN Cc1oc(-c2cccs2)nc1CC(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000024819819 556156621 /nfs/dbraw/zinc/15/66/21/556156621.db2.gz MDINACGWQTZWEA-INIZCTEOSA-N 0 0 463.563 4.209 50 0 JIAARN CCOc1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1S(=O)(=O)N1CCCC1 ZINC000024830968 556158094 /nfs/dbraw/zinc/15/80/94/556158094.db2.gz BHYRSUOXQOPMND-UHFFFAOYSA-N 0 0 489.594 4.314 50 0 JIAARN O=C(COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000012948169 556158555 /nfs/dbraw/zinc/15/85/55/556158555.db2.gz PLTUUIJQOPWPIL-IZZNHLLZSA-N 0 0 496.563 4.264 50 0 JIAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000024836210 556159382 /nfs/dbraw/zinc/15/93/82/556159382.db2.gz GKTALORJIOOXIA-HXUWFJFHSA-N 0 0 470.522 4.437 50 0 JIAARN NC(=O)NC(=O)CCSc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1 ZINC000024893554 556162423 /nfs/dbraw/zinc/16/24/23/556162423.db2.gz PYOWZYAYLRTEEY-UHFFFAOYSA-N 0 0 470.521 4.091 50 0 JIAARN O=C(Nc1cccc(I)c1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012972430 556164058 /nfs/dbraw/zinc/16/40/58/556164058.db2.gz QFKOXHLOOUWWKJ-NAVXVDNBSA-N 0 0 478.374 4.437 50 0 JIAARN Cc1ncc2c(n1)CC[C@@H](NC(=O)c1nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n1)C2 ZINC000024976904 556167067 /nfs/dbraw/zinc/16/70/67/556167067.db2.gz QOXMBZCMTAGJEO-MRXNPFEDSA-N 0 0 484.507 4.400 50 0 JIAARN COc1ccc(CNC(=O)[C@@H](C)Sc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1OC ZINC000012975977 556168499 /nfs/dbraw/zinc/16/84/99/556168499.db2.gz HZCVXNYCUZETCC-MRXNPFEDSA-N 0 0 473.591 4.273 50 0 JIAARN CCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000024982271 556168688 /nfs/dbraw/zinc/16/86/88/556168688.db2.gz GICRQXBPBVEZBW-MUUNZHRXSA-N 0 0 469.541 4.298 50 0 JIAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000016846573 556168724 /nfs/dbraw/zinc/16/87/24/556168724.db2.gz CGWNHBLQUWLZQY-UHFFFAOYSA-N 0 0 459.480 4.158 50 0 JIAARN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCC4)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000024986326 556169778 /nfs/dbraw/zinc/16/97/78/556169778.db2.gz BEMUULOUDXARFN-UHFFFAOYSA-N 0 0 461.543 4.475 50 0 JIAARN C[C@@H]1CCc2c(sc3[nH]c(SCc4nc(N)nc(Nc5ccc(F)cc5)n4)nc(=O)c23)C1 ZINC000024988134 556170409 /nfs/dbraw/zinc/17/04/09/556170409.db2.gz GEOCERQZLDHZAF-SNVBAGLBSA-N 0 0 469.571 4.052 50 0 JIAARN Cc1ccccc1OC[C@H](O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000016902833 556174460 /nfs/dbraw/zinc/17/44/60/556174460.db2.gz OPCKSMXREBPHDQ-DENIHFKCSA-N 0 0 459.521 4.444 50 0 JIAARN COc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000016902966 556175073 /nfs/dbraw/zinc/17/50/73/556175073.db2.gz FHYKJZGZHFSWPR-CTNGQTDRSA-N 0 0 457.530 4.005 50 0 JIAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3C[C@@H](O)COc3cccc(C)c3)CC2=O)c1 ZINC000016903109 556175376 /nfs/dbraw/zinc/17/53/76/556175376.db2.gz BWUBOTLCAFNDSL-IFMALSPDSA-N 0 0 471.557 4.314 50 0 JIAARN CCOc1ccc(CN(C)C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)cc1OC ZINC000012982491 556175790 /nfs/dbraw/zinc/17/57/90/556175790.db2.gz LKSHOWCDBUQZOV-UHFFFAOYSA-N 0 0 457.530 4.124 50 0 JIAARN CSCC[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H]1CCCc2ccccc21 ZINC000025077313 556178817 /nfs/dbraw/zinc/17/88/17/556178817.db2.gz WSWQDKFWYCMBQA-AZUAARDMSA-N 0 0 452.580 4.120 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1Cl ZINC000012985667 556179228 /nfs/dbraw/zinc/17/92/28/556179228.db2.gz RXZSCYPWWXFYEM-LJQANCHMSA-N 0 0 478.998 4.119 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccnn3Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000012986308 556180190 /nfs/dbraw/zinc/18/01/90/556180190.db2.gz FVEOXHXRLZMJED-UHFFFAOYSA-N 0 0 487.025 4.241 50 0 JIAARN O=C(COC(=O)c1cccc(CN2CCCC2=O)c1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000025131507 556180382 /nfs/dbraw/zinc/18/03/82/556180382.db2.gz MQGPIFFKGSLGKI-DEOSSOPVSA-N 0 0 466.534 4.072 50 0 JIAARN COCCn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000016942754 556181270 /nfs/dbraw/zinc/18/12/70/556181270.db2.gz BITZVRAUELFZPU-UHFFFAOYSA-N 0 0 490.629 4.098 50 0 JIAARN CCOC(=O)c1ccc2c(c1)nc(SCC(=O)NCc1ccco1)n2CCc1ccc(OC)cc1 ZINC000025143296 556182443 /nfs/dbraw/zinc/18/24/43/556182443.db2.gz DWFWLMAOXPLYGL-UHFFFAOYSA-N 0 0 493.585 4.466 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnnn2C2CCCC2)cc1 ZINC000012988935 556182845 /nfs/dbraw/zinc/18/28/45/556182845.db2.gz DHWQJYDCALSYSA-QFIPXVFZSA-N 0 0 462.579 4.267 50 0 JIAARN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012989065 556183078 /nfs/dbraw/zinc/18/30/78/556183078.db2.gz TYDRDASRPYVLAY-QFIPXVFZSA-N 0 0 458.580 4.194 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000012991721 556184458 /nfs/dbraw/zinc/18/44/58/556184458.db2.gz AOPOTFIFDUORSZ-UHFFFAOYSA-N 0 0 478.774 4.248 50 0 JIAARN CN(c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1)S(=O)(=O)c1cccs1 ZINC000012991626 556184561 /nfs/dbraw/zinc/18/45/61/556184561.db2.gz MVTHATHPVHZWOD-UHFFFAOYSA-N 0 0 481.393 4.353 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nc(-c4ccccn4)cs3)c2)cc1 ZINC000016954586 556186037 /nfs/dbraw/zinc/18/60/37/556186037.db2.gz ZPJSORIDLBUEPK-UHFFFAOYSA-N 0 0 466.544 4.267 50 0 JIAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)c2ccccc12 ZINC000012995032 556187162 /nfs/dbraw/zinc/18/71/62/556187162.db2.gz IAHDCUCCDTXLQV-KRWDZBQOSA-N 0 0 478.545 4.365 50 0 JIAARN Cc1cc(I)ccc1NC(=O)CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000012995053 556187417 /nfs/dbraw/zinc/18/74/17/556187417.db2.gz PLIREQGIUPILKS-MRXNPFEDSA-N 0 0 470.376 4.281 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000012995070 556187486 /nfs/dbraw/zinc/18/74/86/556187486.db2.gz NZQZCYDYVOFKHA-UHFFFAOYSA-N 0 0 481.014 4.330 50 0 JIAARN Cc1nc(COc2cccc(C(=O)Nc3cc(S(=O)(=O)N(C)C)cc(C)c3C)c2)cs1 ZINC000012995237 556187779 /nfs/dbraw/zinc/18/77/79/556187779.db2.gz KYHQYWNXSJEJLW-UHFFFAOYSA-N 0 0 459.593 4.150 50 0 JIAARN COc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc5c(c4)CCCC5)C3)n2)cc1OC ZINC000016960086 556190376 /nfs/dbraw/zinc/19/03/76/556190376.db2.gz RVLAJIXBQVLBTP-HXUWFJFHSA-N 0 0 483.590 4.201 50 0 JIAARN COc1cccc(NC(=S)N2CCn3cccc3[C@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000016960495 556190928 /nfs/dbraw/zinc/19/09/28/556190928.db2.gz MXWWXXFQCLRKLY-JOCHJYFZSA-N 0 0 453.564 4.325 50 0 JIAARN CS(=O)(=O)c1ccccc1C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000012999118 556191847 /nfs/dbraw/zinc/19/18/47/556191847.db2.gz IZJNEMKWGPFWGB-UHFFFAOYSA-N 0 0 456.467 4.288 50 0 JIAARN CCOC(=O)Cc1nnc(SCC(=O)N(C(C)C)C2CCCCC2)n1Cc1ccccc1 ZINC000012999499 556192183 /nfs/dbraw/zinc/19/21/83/556192183.db2.gz ZUVRPGQXQLNKSY-UHFFFAOYSA-N 0 0 458.628 4.094 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)cc2)n(-c2ccccn2)n1 ZINC000025151493 556192353 /nfs/dbraw/zinc/19/23/53/556192353.db2.gz TXWJWDPHQUVGHE-UHFFFAOYSA-N 0 0 499.546 4.213 50 0 JIAARN O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000013000970 556193806 /nfs/dbraw/zinc/19/38/06/556193806.db2.gz MKYAWFYUJYKXSE-UHFFFAOYSA-N 0 0 490.463 4.225 50 0 JIAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2ccc(S(C)(=O)=O)nn2)cc1 ZINC000016992249 556195829 /nfs/dbraw/zinc/19/58/29/556195829.db2.gz VZAQDGTUAQXBDO-UHFFFAOYSA-N 0 0 450.545 4.231 50 0 JIAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)cc1 ZINC000016992865 556196670 /nfs/dbraw/zinc/19/66/70/556196670.db2.gz UEFAILDRKRTGBJ-LJQANCHMSA-N 0 0 476.558 4.027 50 0 JIAARN COc1ccc(Cn2c(C)cc(O)c([C@@H](c3cccnc3)N3CCN(c4ccccc4)CC3)c2=O)cc1 ZINC000016993486 556197599 /nfs/dbraw/zinc/19/75/99/556197599.db2.gz INLGWKYAOWJPJG-GDLZYMKVSA-N 0 0 496.611 4.226 50 0 JIAARN CC(C)Cc1ccc([C@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c2cccs2)cc1 ZINC000013006456 556198127 /nfs/dbraw/zinc/19/81/27/556198127.db2.gz PGMFOVGAVXLATM-QFIPXVFZSA-N 0 0 456.589 4.459 50 0 JIAARN Cc1cc(NC(=O)c2ccc(F)cc2F)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1 ZINC000017011908 556202036 /nfs/dbraw/zinc/20/20/36/556202036.db2.gz GCBDSAJEVKQACY-UHFFFAOYSA-N 0 0 465.851 4.494 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)cc1 ZINC000013010133 556202258 /nfs/dbraw/zinc/20/22/58/556202258.db2.gz VKQGJUBPMMYVBX-UHFFFAOYSA-N 0 0 464.551 4.222 50 0 JIAARN Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccc(I)cc3)cc2)n1 ZINC000017013356 556203520 /nfs/dbraw/zinc/20/35/20/556203520.db2.gz CADHISNNMLGYOM-UHFFFAOYSA-N 0 0 473.318 4.452 50 0 JIAARN CCN(CC(=O)NC(C)(C)C)C(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC000013013921 556204979 /nfs/dbraw/zinc/20/49/79/556204979.db2.gz YPSXUKQSYMHUJN-UHFFFAOYSA-N 0 0 461.672 4.385 50 0 JIAARN COc1cccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(C)cc2C)c1 ZINC000017026132 556205770 /nfs/dbraw/zinc/20/57/70/556205770.db2.gz XVRLMJQSQOBWTD-UHFFFAOYSA-N 0 0 453.506 4.187 50 0 JIAARN COc1ccc(C)cc1NC(=O)C(=O)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000017026236 556205801 /nfs/dbraw/zinc/20/58/01/556205801.db2.gz XPLKRDAHQWMNHJ-UHFFFAOYSA-N 0 0 463.481 4.443 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(C)cc2)CCC3)cc1F ZINC000017050675 556211318 /nfs/dbraw/zinc/21/13/18/556211318.db2.gz LSLCXDHNDCIAAB-UHFFFAOYSA-N 0 0 490.578 4.085 50 0 JIAARN Cc1ccc(-c2nc3n(c2CNC(=O)c2ccc(I)cc2)CCS3)cc1 ZINC000017051254 556212391 /nfs/dbraw/zinc/21/23/91/556212391.db2.gz WEPXRILQCIYCAR-UHFFFAOYSA-N 0 0 475.355 4.499 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(C)cc3)cc(C(=O)NCc3cccs3)c12 ZINC000017051421 556212595 /nfs/dbraw/zinc/21/25/95/556212595.db2.gz UZSHQHVADQMKMD-SFHVURJKSA-N 0 0 480.615 4.066 50 0 JIAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccccc1NC(=O)c1cccs1)CC3 ZINC000025455146 556216400 /nfs/dbraw/zinc/21/64/00/556216400.db2.gz SLKVEDAASHBBDQ-UHFFFAOYSA-N 0 0 459.527 4.467 50 0 JIAARN COc1ccc(-c2nn(CN3CCOCC3)c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000025460647 556216611 /nfs/dbraw/zinc/21/66/11/556216611.db2.gz IPFSYNVNMAGSKG-UHFFFAOYSA-N 0 0 450.486 4.387 50 0 JIAARN Cc1ccc(-n2cnnc2S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)cc1Cl ZINC000017105889 556216993 /nfs/dbraw/zinc/21/69/93/556216993.db2.gz DIOAMHOEXDNBPE-CQSZACIVSA-N 0 0 455.971 4.474 50 0 JIAARN CCCCCC(=O)N[C@H](NC(=S)Nc1ccc(NC(C)=O)cc1)C(Cl)(Cl)Cl ZINC000025559635 556220911 /nfs/dbraw/zinc/22/09/11/556220911.db2.gz UXAJWBBXFYIALM-OAHLLOKOSA-N 0 0 453.823 4.324 50 0 JIAARN Cc1cccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(Br)cc4)n3n2)c1 ZINC000017135553 556222006 /nfs/dbraw/zinc/22/20/06/556222006.db2.gz BAFKDDFEAXJVHA-UHFFFAOYSA-N 0 0 477.409 4.050 50 0 JIAARN Cc1c(O)ccc2c(COC(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3)cc(=O)oc12 ZINC000013030270 556225389 /nfs/dbraw/zinc/22/53/89/556225389.db2.gz YVSRTECOWNRLGL-IRXDYDNUSA-N 0 0 479.529 4.332 50 0 JIAARN Cc1c(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000025591600 556226838 /nfs/dbraw/zinc/22/68/38/556226838.db2.gz VXFSNUBYHFDVRC-ZDLGFXPLSA-N 0 0 469.538 4.084 50 0 JIAARN C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(SCc4cc(=O)n5ccsc5n4)c23)C1 ZINC000025605666 556227157 /nfs/dbraw/zinc/22/71/57/556227157.db2.gz FVALNJLOAHXNHG-CQSZACIVSA-N 0 0 499.687 4.010 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1OC ZINC000025607062 556227352 /nfs/dbraw/zinc/22/73/52/556227352.db2.gz FSKKXSSGBYPNKA-UHFFFAOYSA-N 0 0 480.586 4.410 50 0 JIAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CCOc3ccccc3)CC2)c1 ZINC000025607493 556227382 /nfs/dbraw/zinc/22/73/82/556227382.db2.gz HUVZQGVLDIHZEU-UHFFFAOYSA-N 0 0 482.584 4.385 50 0 JIAARN C[C@H](Sc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3)c1nc2ccccc2c(=O)[nH]1 ZINC000025607895 556227501 /nfs/dbraw/zinc/22/75/01/556227501.db2.gz YMDOHUWYGMYNIT-HNNXBMFYSA-N 0 0 493.658 4.492 50 0 JIAARN O=C(NCC1N=NC(=S)N1c1ccc(Br)cc1)c1ccccc1C(F)(F)F ZINC000017170839 556231701 /nfs/dbraw/zinc/23/17/01/556231701.db2.gz BSMMPWITIPBAFH-UHFFFAOYSA-N 0 0 457.275 4.267 50 0 JIAARN CC1=C2C(=NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2cccc(C)c2)N(c2ccc(C)cc2)N1 ZINC000013038495 556236817 /nfs/dbraw/zinc/23/68/17/556236817.db2.gz NOXPTFDQPJMQLD-LOSJGSFVSA-N 0 0 450.542 4.423 50 0 JIAARN O=S(=O)(NCCc1csc2nc(-c3ccccc3)nn12)c1ccc(F)c(C(F)(F)F)c1 ZINC000017192313 556237248 /nfs/dbraw/zinc/23/72/48/556237248.db2.gz LINFKAJNSBBGIR-UHFFFAOYSA-N 0 0 470.473 4.137 50 0 JIAARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000017200651 556239515 /nfs/dbraw/zinc/23/95/15/556239515.db2.gz DHLNBSLLVHQNSO-UHFFFAOYSA-N 0 0 453.520 4.439 50 0 JIAARN Cc1nc2scc(-c3cccs3)c2c(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000013039528 556240466 /nfs/dbraw/zinc/24/04/66/556240466.db2.gz ZQMZWMQELBDCMS-UHFFFAOYSA-N 0 0 456.618 4.239 50 0 JIAARN CCN(C(=O)[C@H](C)OC(=O)c1ccccc1SCC(=O)NCc1ccco1)c1ccccc1 ZINC000013039896 556241903 /nfs/dbraw/zinc/24/19/03/556241903.db2.gz IEKYHFSDIGEEME-SFHVURJKSA-N 0 0 466.559 4.287 50 0 JIAARN COc1cccc(-c2nc3n(n2)[C@H](c2ccccc2OC)C(C(=O)Nc2cccnc2)=C(C)N3)c1 ZINC000017243649 556244814 /nfs/dbraw/zinc/24/48/14/556244814.db2.gz CWYWAIBHNCUGNW-HSZRJFAPSA-N 0 0 468.517 4.285 50 0 JIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C1 ZINC000017244574 556245313 /nfs/dbraw/zinc/24/53/13/556245313.db2.gz VQOQCPJIEANXSR-GASCZTMLSA-N 0 0 451.386 4.368 50 0 JIAARN C[C@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(F)cc3)c3ccccc32)C[C@H](C)O1 ZINC000017246740 556246920 /nfs/dbraw/zinc/24/69/20/556246920.db2.gz ISRIPRWISIDGRW-IRXDYDNUSA-N 0 0 455.555 4.147 50 0 JIAARN O=C1N(c2cccc(C(F)(F)F)c2)[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 ZINC000013041546 556247120 /nfs/dbraw/zinc/24/71/20/556247120.db2.gz TUAOBQYHUONLPV-JKSUJKDBSA-N 0 0 475.286 4.080 50 0 JIAARN CCCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21 ZINC000026121460 556249496 /nfs/dbraw/zinc/24/94/96/556249496.db2.gz ODAOKPFZQMCVDZ-UHFFFAOYSA-N 0 0 456.974 4.258 50 0 JIAARN COCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)cc1 ZINC000013042534 556249572 /nfs/dbraw/zinc/24/95/72/556249572.db2.gz DKPPLJHKOBWWQQ-UHFFFAOYSA-N 0 0 456.608 4.027 50 0 JIAARN Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(CCC(N)=O)n2CC(C)C)c2ccccc2)c1 ZINC000017274368 556250190 /nfs/dbraw/zinc/25/01/90/556250190.db2.gz HVNPJRNHMDAPIE-HSZRJFAPSA-N 0 0 465.623 4.441 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 ZINC000013058946 556254592 /nfs/dbraw/zinc/25/45/92/556254592.db2.gz LRSSUKSSHBBQON-UHFFFAOYSA-N 0 0 457.911 4.244 50 0 JIAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000026466761 556254829 /nfs/dbraw/zinc/25/48/29/556254829.db2.gz LTVBRMRJKFBFDE-UHFFFAOYSA-N 0 0 455.463 4.228 50 0 JIAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000013061975 556257217 /nfs/dbraw/zinc/25/72/17/556257217.db2.gz QTNRFOMXPMTLSE-RTBURBONSA-N 0 0 464.562 4.139 50 0 JIAARN CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(OC)cc1 ZINC000017315871 556257963 /nfs/dbraw/zinc/25/79/63/556257963.db2.gz YOHXTKBGVBIGJP-UHFFFAOYSA-N 0 0 466.559 4.488 50 0 JIAARN Cc1cc(C(=O)COC(=O)c2csc(-c3cccc(Cl)c3)n2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000026681982 556259093 /nfs/dbraw/zinc/25/90/93/556259093.db2.gz GKNXVUQXVYKOSC-KRWDZBQOSA-N 0 0 493.006 4.281 50 0 JIAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000017366589 556260104 /nfs/dbraw/zinc/26/01/04/556260104.db2.gz BXHFXSMWANITRW-UHFFFAOYSA-N 0 0 462.575 4.058 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2sc(COc3ccc(C)cc3)nc2C)cc1 ZINC000017641878 556263111 /nfs/dbraw/zinc/26/31/11/556263111.db2.gz YEZZXTYQNUILKL-UHFFFAOYSA-N 0 0 487.647 4.299 50 0 JIAARN O=C(Cc1ccccc1)OCCCCN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000026955918 556266599 /nfs/dbraw/zinc/26/65/99/556266599.db2.gz RCLUEXVKYGMXSU-SALAOISXSA-N 0 0 465.549 4.445 50 0 JIAARN CCCc1cc(=O)[nH]c(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n1 ZINC000017837999 556268451 /nfs/dbraw/zinc/26/84/51/556268451.db2.gz QFMMVEPTDTUFHG-SFHVURJKSA-N 0 0 456.955 4.439 50 0 JIAARN CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2C1=O ZINC000013072244 556270947 /nfs/dbraw/zinc/27/09/47/556270947.db2.gz DHQLVQPNXXDAHW-UHFFFAOYSA-N 0 0 497.617 4.146 50 0 JIAARN Cc1c(Cc2ccccc2)c(=O)nc2s/c(=C\c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n21 ZINC000027022783 556271604 /nfs/dbraw/zinc/27/16/04/556271604.db2.gz QTXZJSYWDJBACB-HMAPJEAMSA-N 0 0 460.942 4.477 50 0 JIAARN CCn1c(COC(=O)c2csc(-c3ccc(C)cc3)n2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000017940011 556271699 /nfs/dbraw/zinc/27/16/99/556271699.db2.gz XTRQNPHOUSXSBP-UHFFFAOYSA-N 0 0 484.603 4.095 50 0 JIAARN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)c1ccc(Br)cc1 ZINC000017975660 556273821 /nfs/dbraw/zinc/27/38/21/556273821.db2.gz AZLPHLUVRBHQJG-RTBURBONSA-N 0 0 470.319 4.168 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)COc2ccc(C)cc2Br)cc1 ZINC000013074490 556275186 /nfs/dbraw/zinc/27/51/86/556275186.db2.gz YPZKSRPFFMTVFS-MRXNPFEDSA-N 0 0 483.428 4.044 50 0 JIAARN Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)no1 ZINC000027372268 556277305 /nfs/dbraw/zinc/27/73/05/556277305.db2.gz YPJUTUUHLHGOJY-NRFANRHFSA-N 0 0 459.472 4.289 50 0 JIAARN CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](C)c1ccccc1 ZINC000013075712 556277446 /nfs/dbraw/zinc/27/74/46/556277446.db2.gz MCURPGGLXBFJBO-IFXJQAMLSA-N 0 0 475.463 4.313 50 0 JIAARN C=CC(=O)Nc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000027439698 556278341 /nfs/dbraw/zinc/27/83/41/556278341.db2.gz OMZCMEYTWSXEPZ-UHFFFAOYSA-N 0 0 485.947 4.392 50 0 biogenic,investigational JIAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccccc2)cc1 ZINC000027522562 556286371 /nfs/dbraw/zinc/28/63/71/556286371.db2.gz HPDLKQIUGJFKCI-JOCHJYFZSA-N 0 0 473.554 4.004 50 0 JIAARN CC[C@H](C)c1ccc([C@@H](NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)C(C)C)cc1 ZINC000013096260 556290289 /nfs/dbraw/zinc/29/02/89/556290289.db2.gz ZEZCAMCTVRCVPZ-BVZFJXPGSA-N 0 0 473.639 4.340 50 0 JIAARN O=C(CN1CCN(C(=O)c2csc(-c3cccs3)n2)CC1)Nc1ccccc1C(F)(F)F ZINC000018125622 556291465 /nfs/dbraw/zinc/29/14/65/556291465.db2.gz GNQLRBKYIPESKT-UHFFFAOYSA-N 0 0 480.537 4.287 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)ccc1C ZINC000013096636 556291545 /nfs/dbraw/zinc/29/15/45/556291545.db2.gz KIMHJLORUIKMQY-UHFFFAOYSA-N 0 0 472.438 4.403 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000018132370 556292586 /nfs/dbraw/zinc/29/25/86/556292586.db2.gz OAUNNNWFCBKZJG-UHFFFAOYSA-N 0 0 494.661 4.255 50 0 JIAARN Cc1ccc(CN2C(=O)NC(=O)[C@]3(Cc4cc5cc(C)ccc5nc4N4CCCC[C@@H]43)C2=O)cc1 ZINC000018142509 556293356 /nfs/dbraw/zinc/29/33/56/556293356.db2.gz YZLAAQMHYIUORF-QDPGVEIFSA-N 0 0 468.557 4.032 50 0 JIAARN O=C(CN1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)CC1)Nc1ccccc1Cl ZINC000018148467 556294323 /nfs/dbraw/zinc/29/43/23/556294323.db2.gz UWWKKALVDJJRPL-UHFFFAOYSA-N 0 0 485.975 4.347 50 0 JIAARN CC(C)[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018156675 556295895 /nfs/dbraw/zinc/29/58/95/556295895.db2.gz KEFMKFLPGWKQFL-GYFFGYLLSA-N 0 0 493.559 4.329 50 0 JIAARN COC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)c1C ZINC000013098064 556296112 /nfs/dbraw/zinc/29/61/12/556296112.db2.gz QYKOANIVPQMRQF-KRWDZBQOSA-N 0 0 488.997 4.484 50 0 JIAARN COc1cccc(C2=NN(C(=O)COc3cc(C)ccc3C(C)C)[C@](O)(C(F)(F)F)C2)c1 ZINC000027570411 556298177 /nfs/dbraw/zinc/29/81/77/556298177.db2.gz BUPXKKJSWMKUKX-JOCHJYFZSA-N 0 0 450.457 4.393 50 0 JIAARN COc1cccc(-c2nnc(SCC(=O)NC(=O)NC3CCCC3)n2-c2ccc(C)cc2)c1 ZINC000013098794 556298269 /nfs/dbraw/zinc/29/82/69/556298269.db2.gz HJBJRMBOHLXUAM-UHFFFAOYSA-N 0 0 465.579 4.112 50 0 JIAARN COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3cc(=O)[nH]c4ccccc43)c2C)cc1 ZINC000013100623 556300094 /nfs/dbraw/zinc/30/00/94/556300094.db2.gz RJQYXCRJLCFLRR-UHFFFAOYSA-N 0 0 458.514 4.237 50 0 JIAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000013101446 556301808 /nfs/dbraw/zinc/30/18/08/556301808.db2.gz KHUNQDJQHJIEPA-XMMPIXPASA-N 0 0 458.587 4.404 50 0 JIAARN CC(=O)c1cc2c(cc1NC(=O)COC(=O)c1c3ccccc3nc3c1C[C@H](C)CC3)OCO2 ZINC000013102180 556303320 /nfs/dbraw/zinc/30/33/20/556303320.db2.gz AJBMNWRRCMJVTD-CQSZACIVSA-N 0 0 460.486 4.086 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000013102802 556304340 /nfs/dbraw/zinc/30/43/40/556304340.db2.gz SGFIENSXVAXHMU-SANMLTNESA-N 0 0 477.948 4.286 50 0 JIAARN CCSc1ncc(Br)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1 ZINC000027743760 556304756 /nfs/dbraw/zinc/30/47/56/556304756.db2.gz LNMUPRYKOXDWCK-UHFFFAOYSA-N 0 0 499.456 4.168 50 0 JIAARN CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)cc1OCC ZINC000027748436 556305293 /nfs/dbraw/zinc/30/52/93/556305293.db2.gz XFIUGKAHVXFUND-QHCPKHFHSA-N 0 0 451.519 4.217 50 0 JIAARN O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1 ZINC000018199928 556307310 /nfs/dbraw/zinc/30/73/10/556307310.db2.gz FSGXTPMHIPIHBP-UHFFFAOYSA-N 0 0 477.369 4.336 50 0 JIAARN O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000013109217 556307437 /nfs/dbraw/zinc/30/74/37/556307437.db2.gz GVUHLKLTHILTEG-UHFFFAOYSA-N 0 0 499.548 4.017 50 0 JIAARN COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000027925061 556310135 /nfs/dbraw/zinc/31/01/35/556310135.db2.gz ZRNXQWOBDZKCKU-ZDUSSCGKSA-N 0 0 458.312 4.340 50 0 JIAARN O=C(COc1ccc(-n2cnnn2)cc1)Nc1nnc(SCc2ccc(Cl)cc2Cl)s1 ZINC000027988744 556311423 /nfs/dbraw/zinc/31/14/23/556311423.db2.gz WOJBWBVAACWEEY-UHFFFAOYSA-N 0 0 494.389 4.130 50 0 JIAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1 ZINC000013110172 556311440 /nfs/dbraw/zinc/31/14/40/556311440.db2.gz GGGCYZYLQYFLCR-UHFFFAOYSA-N 0 0 474.026 4.160 50 0 JIAARN COc1ccc(-c2nc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)sc2C)cc1 ZINC000013112255 556312717 /nfs/dbraw/zinc/31/27/17/556312717.db2.gz FOZWBDOZKJEBMX-UHFFFAOYSA-N 0 0 465.984 4.283 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)NC3CCCCC3)n2-c2ccccc2OC)cc1 ZINC000028047379 556313212 /nfs/dbraw/zinc/31/32/12/556313212.db2.gz UWBVJCYHTSCEIX-UHFFFAOYSA-N 0 0 452.580 4.493 50 0 JIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000018233032 556313584 /nfs/dbraw/zinc/31/35/84/556313584.db2.gz COAODLVMUSFJLL-CYBMUJFWSA-N 0 0 465.333 4.367 50 0 JIAARN COc1ccc(C)cc1NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000013112611 556314491 /nfs/dbraw/zinc/31/44/91/556314491.db2.gz ZUIDBPBLQHDRHZ-MHZLTWQESA-N 0 0 455.514 4.121 50 0 JIAARN COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000018244906 556315299 /nfs/dbraw/zinc/31/52/99/556315299.db2.gz QKRIWOPFVMXZHB-HDICACEKSA-N 0 0 487.339 4.193 50 0 JIAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000013113168 556316878 /nfs/dbraw/zinc/31/68/78/556316878.db2.gz XEAKTTWJSCXQHK-UHFFFAOYSA-N 0 0 458.971 4.127 50 0 JIAARN CNC(=O)[C@@H]1CN(C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)c2ccccc2O1 ZINC000013114253 556318517 /nfs/dbraw/zinc/31/85/17/556318517.db2.gz ZRRRZPGLIRWPRF-DEOSSOPVSA-N 0 0 457.505 4.447 50 0 JIAARN O=C(Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)c1ccc2c(c1)NC(=O)CO2 ZINC000013114728 556320357 /nfs/dbraw/zinc/32/03/57/556320357.db2.gz RNALTRABIVUXOU-UHFFFAOYSA-N 0 0 496.342 4.101 50 0 JIAARN CC(=O)c1ccccc1OCCOC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000018370362 556320407 /nfs/dbraw/zinc/32/04/07/556320407.db2.gz AZJCMSPOEASXTI-UHFFFAOYSA-N 0 0 459.564 4.078 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)C(C)C)cc1 ZINC000018408603 556320859 /nfs/dbraw/zinc/32/08/59/556320859.db2.gz PKAINHNLISXHTJ-VWLOTQADSA-N 0 0 480.586 4.147 50 0 JIAARN O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000013114914 556321319 /nfs/dbraw/zinc/32/13/19/556321319.db2.gz JYQXPCUIWJEWEI-OAQYLSRUSA-N 0 0 482.627 4.321 50 0 JIAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)C1=O ZINC000013115611 556322701 /nfs/dbraw/zinc/32/27/01/556322701.db2.gz SMYNLHCOCSWKKH-VWLOTQADSA-N 0 0 460.559 4.095 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1Cc1ccccc1 ZINC000018583103 556322857 /nfs/dbraw/zinc/32/28/57/556322857.db2.gz SOLVFWTXXMLNNF-KRWDZBQOSA-N 0 0 472.014 4.244 50 0 JIAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000013116205 556324079 /nfs/dbraw/zinc/32/40/79/556324079.db2.gz YHJVUNOFRKACQV-UHFFFAOYSA-N 0 0 456.480 4.459 50 0 JIAARN COc1ccc(-c2nc(CC(=O)N3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)cs2)cc1 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Cc1nn(C)c(C)c1CN(C)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000013123476 556339706 /nfs/dbraw/zinc/33/97/06/556339706.db2.gz YAMAWEHHRSSRNW-WMLDXEAASA-N 0 0 452.506 4.227 50 0 JIAARN Cc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)Nc4ccc5c(c4)OCO5)c3)sc2c1 ZINC000028818263 556342026 /nfs/dbraw/zinc/34/20/26/556342026.db2.gz LKZUFOWXFZWBLF-UHFFFAOYSA-N 0 0 467.528 4.387 50 0 JIAARN COc1ccccc1C(=O)NCC(=O)OCC(=O)c1c2ccccc2n(C)c1-c1ccccc1 ZINC000028832678 556342412 /nfs/dbraw/zinc/34/24/12/556342412.db2.gz HRBMWROKOYCVNN-UHFFFAOYSA-N 0 0 456.498 4.010 50 0 JIAARN Cc1cc(=O)c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)nn1-c1ccccc1F ZINC000013127429 556343529 /nfs/dbraw/zinc/34/35/29/556343529.db2.gz OJGDRDWCBSTSOW-UHFFFAOYSA-N 0 0 482.559 4.227 50 0 JIAARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)N1CCN(c2ccccn2)CC1 ZINC000013127374 556343555 /nfs/dbraw/zinc/34/35/55/556343555.db2.gz LTRFZRWXDJSHME-UHFFFAOYSA-N 0 0 482.679 4.272 50 0 JIAARN COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2c[nH]c3ccccc32)cc1 ZINC000013128455 556347733 /nfs/dbraw/zinc/34/77/33/556347733.db2.gz MHOFBODWYOTRLK-QFIPXVFZSA-N 0 0 475.570 4.172 50 0 JIAARN CCc1ccc(-c2nc(SCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)n[nH]2)cc1 ZINC000013128679 556348672 /nfs/dbraw/zinc/34/86/72/556348672.db2.gz YXTRVKIWWPIQRR-LJQANCHMSA-N 0 0 450.564 4.261 50 0 JIAARN CCCCN1C(=O)C[C@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)[C@H]1c1ccc(OC)cc1 ZINC000013128934 556349972 /nfs/dbraw/zinc/34/99/72/556349972.db2.gz XVGDGEKOEYKCPA-WIOPSUGQSA-N 0 0 452.551 4.184 50 0 JIAARN O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000029480279 556352277 /nfs/dbraw/zinc/35/22/77/556352277.db2.gz YYYSBVJWUXHLDY-UHFFFAOYSA-N 0 0 485.508 4.202 50 0 JIAARN Cc1cc(C(=O)COC(=O)CCC(=O)c2cccs2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000013129598 556353326 /nfs/dbraw/zinc/35/33/26/556353326.db2.gz WWMAZIKHPPIWND-SFHVURJKSA-N 0 0 467.543 4.395 50 0 JIAARN O=S(=O)(CCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(Cl)cc1 ZINC000029630174 556354277 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473.554 4.476 50 0 JIAARN CCN1CCc2nc3ccccc3c(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)c2C1 ZINC000013135014 556365340 /nfs/dbraw/zinc/36/53/40/556365340.db2.gz GYMFVJZVVNHMFV-UHFFFAOYSA-N 0 0 492.645 4.348 50 0 JIAARN Cc1c(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000030396090 556365366 /nfs/dbraw/zinc/36/53/66/556365366.db2.gz UYSFGXPFSLCCNU-UHFFFAOYSA-N 0 0 459.472 4.230 50 0 JIAARN CCc1ccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)cc1 ZINC000013135156 556366111 /nfs/dbraw/zinc/36/61/11/556366111.db2.gz KPAINOZBOCUCCG-UHFFFAOYSA-N 0 0 486.619 4.204 50 0 JIAARN CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nnc2cc(C)c3ccccc3n21 ZINC000013135288 556366167 /nfs/dbraw/zinc/36/61/67/556366167.db2.gz WHUIVYGGPQVXGX-UHFFFAOYSA-N 0 0 470.576 4.480 50 0 JIAARN O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000030546491 556366687 /nfs/dbraw/zinc/36/66/87/556366687.db2.gz JTQBMXJVJIWCQC-KRWDZBQOSA-N 0 0 454.017 4.184 50 0 JIAARN COc1cc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)CON2C)ccc1OCc1ccc(F)cc1 ZINC000013136331 556366975 /nfs/dbraw/zinc/36/69/75/556366975.db2.gz DEVXPNPWDHIMKH-ZEQRLZLVSA-N 0 0 457.523 4.174 50 0 JIAARN O=C(CSC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000013137275 556368075 /nfs/dbraw/zinc/36/80/75/556368075.db2.gz BCGVPWSHOKYYAZ-UHFFFAOYSA-N 0 0 466.628 4.042 50 0 JIAARN Cc1ccc(NC(=O)CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)c(Br)c1 ZINC000030590003 556368197 /nfs/dbraw/zinc/36/81/97/556368197.db2.gz IYMPBAKFDMWYCX-SFHVURJKSA-N 0 0 459.388 4.372 50 0 JIAARN COc1ccc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3cc(C)ccc3C)cc2)cc1OC ZINC000013137451 556368376 /nfs/dbraw/zinc/36/83/76/556368376.db2.gz RIFRCXNMWJLIBX-UHFFFAOYSA-N 0 0 455.532 4.365 50 0 JIAARN O=C([C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000030620077 556369051 /nfs/dbraw/zinc/36/90/51/556369051.db2.gz YQSGVYYBZDDRED-PKTZIBPZSA-N 0 0 451.998 4.384 50 0 JIAARN CN(C)c1nc2cc(C(=O)NCc3ccccc3Cn3cccn3)sc2n1-c1ccccc1 ZINC000030673968 556369719 /nfs/dbraw/zinc/36/97/19/556369719.db2.gz OXYDGMIIXKYUDS-UHFFFAOYSA-N 0 0 456.575 4.328 50 0 JIAARN O=C1C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1Cl ZINC000019792818 556371356 /nfs/dbraw/zinc/37/13/56/556371356.db2.gz HFEDDQVIELMNFG-UHFFFAOYSA-N 0 0 450.753 4.135 50 0 JIAARN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCCOC(=O)c3ccccc3)c2c1 ZINC000019792944 556371574 /nfs/dbraw/zinc/37/15/74/556371574.db2.gz BCCYFBHREZXODC-UHFFFAOYSA-N 0 0 450.491 4.247 50 0 JIAARN COc1ccccc1-c1nc2cc(C(=O)NCCCc3scnc3C)cc(NC(C)=O)c2n1C ZINC000019812668 556382646 /nfs/dbraw/zinc/38/26/46/556382646.db2.gz HHSXLBIOEXOTEQ-UHFFFAOYSA-N 0 0 477.590 4.335 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3ccc(Cl)cc3)C2)s1 ZINC000030869624 556384788 /nfs/dbraw/zinc/38/47/88/556384788.db2.gz GKIBBQDQLAMHEM-HNNXBMFYSA-N 0 0 459.058 4.019 50 0 JIAARN COc1ccc(-n2c(SCC(=O)Nc3cc(OC)cc(OC)c3)nnc2-c2cccnc2)cc1 ZINC000019823788 556394454 /nfs/dbraw/zinc/39/44/54/556394454.db2.gz USWATROSMGESPD-UHFFFAOYSA-N 0 0 477.546 4.086 50 0 JIAARN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000031267388 556395243 /nfs/dbraw/zinc/39/52/43/556395243.db2.gz NLUJSNPOBBMEHC-NOZRDPDXSA-N 0 0 482.602 4.339 50 0 JIAARN CNc1snc(C)c1C(=O)OCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)Cc1cccs1 ZINC000031628079 556400431 /nfs/dbraw/zinc/40/04/31/556400431.db2.gz BSDLVWKYWHGJSS-OAHLLOKOSA-N 0 0 473.620 4.380 50 0 JIAARN Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2ccccc2Br)c2cccnc2)ccc1F ZINC000031773850 556403911 /nfs/dbraw/zinc/40/39/11/556403911.db2.gz XPHVHYZUJCSUOJ-FQEVSTJZSA-N 0 0 477.355 4.237 50 0 JIAARN O=C(c1cnn2c1nccc2-c1cccs1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000031781927 556404273 /nfs/dbraw/zinc/40/42/73/556404273.db2.gz VUBDFOWLFLQJPH-UHFFFAOYSA-N 0 0 471.508 4.435 50 0 JIAARN Cc1ccccc1OCCN(C)C(=O)c1cccc(C(=O)N(C)CCOc2ccccc2C)n1 ZINC000031817575 556407679 /nfs/dbraw/zinc/40/76/79/556407679.db2.gz OOLLZXFRYRJARE-UHFFFAOYSA-N 0 0 461.562 4.000 50 0 JIAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3cccnc3)CC2)c1C ZINC000031941875 556411747 /nfs/dbraw/zinc/41/17/47/556411747.db2.gz NPCOYRQYNRSODX-HSZRJFAPSA-N 0 0 455.624 4.080 50 0 JIAARN CC1(C)Cc2c3c(nc(-c4ccccc4)c2CO1)oc1c3ncn(CC(=O)Nc2nccs2)c1=O ZINC000032092663 556414805 /nfs/dbraw/zinc/41/48/05/556414805.db2.gz VOSGHBOUISMPHJ-UHFFFAOYSA-N 0 0 487.541 4.151 50 0 JIAARN COC(=O)[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1Cc1cc(OC)c(OC)cc1-2)C(C)C ZINC000032093270 556414877 /nfs/dbraw/zinc/41/48/77/556414877.db2.gz KTVIBYWFBLSJKV-NRFANRHFSA-N 0 0 483.952 4.042 50 0 JIAARN Cc1sc2c(c1C)c1nc(-c3cccnc3)nn1c(=O)n2CC(=O)c1ccc(Br)cc1 ZINC000032106363 556417791 /nfs/dbraw/zinc/41/77/91/556417791.db2.gz IJRSOVBVIUAALD-UHFFFAOYSA-N 0 0 494.374 4.430 50 0 JIAARN CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC=C(c2c[nH]c3cccc(C)c32)CC1 ZINC000032316101 556434324 /nfs/dbraw/zinc/43/43/24/556434324.db2.gz DMBBRMDKWCJJPZ-QHCPKHFHSA-N 0 0 490.629 4.390 50 0 JIAARN C[C@H]1CCc2[nH]c3c(cccc3C(=O)N3CCN(C(=O)c4ccc(Br)o4)CC3)c2C1 ZINC000032280453 556434357 /nfs/dbraw/zinc/43/43/57/556434357.db2.gz QFDVQZFQNDAFQX-AWEZNQCLSA-N 0 0 470.367 4.246 50 0 JIAARN C/C=C/c1ccc(OCC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c(OC)c1 ZINC000032371144 556434586 /nfs/dbraw/zinc/43/45/86/556434586.db2.gz BZUSNVIWCMRIAB-ONEGZZNKSA-N 0 0 482.968 4.155 50 0 JIAARN O=C(Cc1csc(-c2ccsc2)n1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000032371337 556434598 /nfs/dbraw/zinc/43/45/98/556434598.db2.gz QWEPNDFHIOAINH-UHFFFAOYSA-N 0 0 486.022 4.462 50 0 JIAARN COc1ccc(-c2noc(COC(=O)[C@H]3CCCC[C@@H]3C(=O)N3CCc4ccccc43)n2)cc1OC ZINC000032559048 556445046 /nfs/dbraw/zinc/44/50/46/556445046.db2.gz QCCSUIXZNDVWOH-PMACEKPBSA-N 0 0 491.544 4.193 50 0 JIAARN COc1ccc(OC)c(CNC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)c1 ZINC000032578977 556446225 /nfs/dbraw/zinc/44/62/25/556446225.db2.gz HXWSIMSCGBRHRE-UHFFFAOYSA-N 0 0 459.502 4.424 50 0 JIAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)c3ccc(Cl)cc3)o1)CCC2 ZINC000032593696 556447961 /nfs/dbraw/zinc/44/79/61/556447961.db2.gz 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Cn1c(=O)c2ccccc2nc1SCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000032672024 556468322 /nfs/dbraw/zinc/46/83/22/556468322.db2.gz NXAIVVWUCGVGBI-KRWDZBQOSA-N 0 0 450.545 4.058 50 0 JIAARN CCOC(=O)c1ccc2c(c1)n(CC(=O)Nc1c(C(C)C)cccc1C(C)C)c(=O)c(=O)n2CC ZINC000032672133 556468490 /nfs/dbraw/zinc/46/84/90/556468490.db2.gz LEFDDOLDFVSOFA-UHFFFAOYSA-N 0 0 479.577 4.245 50 0 JIAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000032678917 556470165 /nfs/dbraw/zinc/47/01/65/556470165.db2.gz UUGORBNTFLTJTJ-UHFFFAOYSA-N 0 0 459.546 4.437 50 0 JIAARN O=C(CSc1nc2[nH]ncc2c(=O)[nH]1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000032686474 556470427 /nfs/dbraw/zinc/47/04/27/556470427.db2.gz YPGSMVDWYSBWJL-UHFFFAOYSA-N 0 0 488.451 4.060 50 0 JIAARN COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1F ZINC000032719737 556474555 /nfs/dbraw/zinc/47/45/55/556474555.db2.gz UBGDITKTEANKGC-UHFFFAOYSA-N 0 0 468.550 4.248 50 0 JIAARN Cc1nc2ccc(C(=O)N3CCN(Cc4csc(-c5ccc(F)cc5)n4)CC3)cc2nc1C 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QGZCIBSTHBZZAX-VWLOTQADSA-N 0 0 451.519 4.327 50 0 JIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000032855398 556512151 /nfs/dbraw/zinc/51/21/51/556512151.db2.gz KWSCLKGLIIRIJH-MRXNPFEDSA-N 0 0 479.583 4.121 50 0 JIAARN CC1CCN(Cc2nc3sc4c(c3c(=O)n2CC(=O)Nc2cc(F)cc(F)c2)CCC4)CC1 ZINC000032858387 556513425 /nfs/dbraw/zinc/51/34/25/556513425.db2.gz SXPFRLHFGDPKKM-UHFFFAOYSA-N 0 0 472.561 4.096 50 0 JIAARN Cc1sc2[nH]c(SCC(=O)Nc3ccc(S(C)(=O)=O)cc3)nc(=O)c2c1-c1ccccc1 ZINC000032858348 556513439 /nfs/dbraw/zinc/51/34/39/556513439.db2.gz RBDQBXSTLVGVBG-UHFFFAOYSA-N 0 0 485.612 4.094 50 0 JIAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)/C=C/c1ccc(OC)cc1OC ZINC000032859678 556514095 /nfs/dbraw/zinc/51/40/95/556514095.db2.gz ZZTVCFDZWVDHOJ-CSKARUKUSA-N 0 0 459.520 4.015 50 0 JIAARN CCc1ccc(Cl)c(CC)c1NC(=O)CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000032860164 556514711 /nfs/dbraw/zinc/51/47/11/556514711.db2.gz SQGPYJIVTAGPLT-MRXNPFEDSA-N 0 0 471.001 4.099 50 0 JIAARN COc1ccc(OC)c(-c2csc(NC(=O)C3CCN(C(=O)OCC(F)(F)F)CC3)n2)c1 ZINC000032869136 556516948 /nfs/dbraw/zinc/51/69/48/556516948.db2.gz HJGQGGZNBKCBIE-UHFFFAOYSA-N 0 0 473.473 4.177 50 0 JIAARN COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1S(=O)(=O)N1CCCCCC1 ZINC000032882865 556522027 /nfs/dbraw/zinc/52/20/27/556522027.db2.gz SLAXXFQECNPUGC-HXUWFJFHSA-N 0 0 496.633 4.156 50 0 JIAARN COc1cccc([C@@H](NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)c2nccn2C)c1 ZINC000032899740 556527467 /nfs/dbraw/zinc/52/74/67/556527467.db2.gz JMYBHHOTBGIYFX-HSZRJFAPSA-N 0 0 461.591 4.229 50 0 JIAARN O=C(NCCCOC(=O)c1ccc(Br)cc1F)c1ccc(Br)cc1F ZINC000032912499 556537252 /nfs/dbraw/zinc/53/72/52/556537252.db2.gz VMDWDHSRKWOGAT-UHFFFAOYSA-N 0 0 477.099 4.467 50 0 JIAARN CC(=O)N1c2ccc(S(=O)(=O)Nc3ccccc3N3CCc4sccc4C3)cc2C[C@@H]1C ZINC000032915907 556539664 /nfs/dbraw/zinc/53/96/64/556539664.db2.gz LXGVZPOVHIKBEZ-INIZCTEOSA-N 0 0 467.616 4.409 50 0 JIAARN COC(=O)c1cn(C)c(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)c1C(=O)OC ZINC000032926304 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50 0 JIAARN COc1cccc(Cn2c(SCC(=O)Nc3cccc(NC(C)=O)c3)nc3ccsc3c2=O)c1 ZINC000067689965 569690585 /nfs/dbraw/zinc/69/05/85/569690585.db2.gz TZQLPHBCOTZYQN-UHFFFAOYSA-N 0 0 494.598 4.204 50 0 JIAARN CCOc1ccccc1NC(=O)Cn1nc2c(Oc3cccc(C)c3C)nc3ccccc3n2c1=O ZINC000035425226 569693409 /nfs/dbraw/zinc/69/34/09/569693409.db2.gz WIHGTCKVXIDSDQ-UHFFFAOYSA-N 0 0 483.528 4.491 50 0 JIAARN O=C(Nc1cccc(C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)c1)c1ccco1 ZINC000069926038 569693930 /nfs/dbraw/zinc/69/39/30/569693930.db2.gz BVENPPWHFVQOSA-UHFFFAOYSA-N 0 0 458.518 4.071 50 0 JIAARN O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000069929106 569693959 /nfs/dbraw/zinc/69/39/59/569693959.db2.gz ZJFJBXOGYOHXQQ-FQEVSTJZSA-N 0 0 464.516 4.110 50 0 JIAARN Cc1cc2nc(COc3cc(NC(=O)c4cccc(Br)c4)ccc3C)cc(=O)n2o1 ZINC000035428393 569694586 /nfs/dbraw/zinc/69/45/86/569694586.db2.gz FTIDUHVUTJCGNB-UHFFFAOYSA-N 0 0 468.307 4.498 50 0 JIAARN COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCCC3)C2)c1 ZINC000070006769 569694616 /nfs/dbraw/zinc/69/46/16/569694616.db2.gz LKBHMWKUYPACOG-FQEVSTJZSA-N 0 0 471.623 4.023 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(NC(=O)c2cc(C)oc2C)s1 ZINC000070634996 569695394 /nfs/dbraw/zinc/69/53/94/569695394.db2.gz VGJGCSFDHLYNAP-UHFFFAOYSA-N 0 0 452.945 4.393 50 0 JIAARN COc1ccc2c(C)c(CC(=O)NCCn3ccc4ccc(Cl)cc43)c(=O)oc2c1OC ZINC000070666544 569695611 /nfs/dbraw/zinc/69/56/11/569695611.db2.gz WOMRMGCXUFDXIG-UHFFFAOYSA-N 0 0 454.910 4.086 50 0 biogenic JIAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)c1 ZINC000035446787 569696013 /nfs/dbraw/zinc/69/60/13/569696013.db2.gz WVDDMNWCZNXUDX-UHFFFAOYSA-N 0 0 488.544 4.308 50 0 biogenic JIAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2ccc(F)c(Cl)c2)c(C)n3C)c1 ZINC000035448564 569696406 /nfs/dbraw/zinc/69/64/06/569696406.db2.gz RFFHTCBYLDDXRY-UHFFFAOYSA-N 0 0 468.916 4.381 50 0 JIAARN Cc1cc2nc(COc3ccc(Cl)cc3NC(=O)[C@H](C)Oc3ccccc3)cc(=O)n2o1 ZINC000035448039 569696414 /nfs/dbraw/zinc/69/64/14/569696414.db2.gz SHZCYQAZVWAPRG-HNNXBMFYSA-N 0 0 453.882 4.234 50 0 JIAARN CC(C)Oc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)cn2)cc1 ZINC000071768418 569697613 /nfs/dbraw/zinc/69/76/13/569697613.db2.gz VHUUXTGGWJLHJT-UHFFFAOYSA-N 0 0 460.538 4.332 50 0 JIAARN COc1ccc([C@H](C)NC(=O)c2cn(-c3ncccc3-c3nc(C(C)(C)C)no3)cn2)cc1OC ZINC000071768621 569697623 /nfs/dbraw/zinc/69/76/23/569697623.db2.gz LRGHIMMTJDANAZ-HNNXBMFYSA-N 0 0 476.537 4.123 50 0 JIAARN CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCc3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000035509561 569697862 /nfs/dbraw/zinc/69/78/62/569697862.db2.gz RZSRCSGJCCEYGT-UHFFFAOYSA-N 0 0 492.963 4.440 50 0 JIAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)N2CCC(Cc4ccccc4)CC2)c(C)n3C)c1 ZINC000035510839 569698176 /nfs/dbraw/zinc/69/81/76/569698176.db2.gz IEBCZGZBJHMJCA-UHFFFAOYSA-N 0 0 498.627 4.431 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3c(C(C)C)cccc3C(C)C)CC2)cc1C ZINC000035510908 569698206 /nfs/dbraw/zinc/69/82/06/569698206.db2.gz DHJMYBYRURHWDI-UHFFFAOYSA-N 0 0 471.667 4.495 50 0 JIAARN O=C(N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000071824176 569698747 /nfs/dbraw/zinc/69/87/47/569698747.db2.gz DXRUBACNZVYTMH-UHFFFAOYSA-N 0 0 499.032 4.075 50 0 JIAARN O=C(CSc1ccc(C(F)(F)F)cn1)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000071862776 569699025 /nfs/dbraw/zinc/69/90/25/569699025.db2.gz XFCSYOQTPMJDSF-AWEZNQCLSA-N 0 0 470.492 4.392 50 0 JIAARN O=C1c2ccccc2[C@H]2N1c1ccc(Br)cc1-c1nc(=O)c(-c3ccc(F)cc3)nn12 ZINC000071922020 569699131 /nfs/dbraw/zinc/69/91/31/569699131.db2.gz GCZQCHJZDPRVJM-QFIPXVFZSA-N 0 0 475.277 4.395 50 0 JIAARN COc1cccc(N2CCN(c3ccnc(SCC(=O)Nc4cc(C)cc(C)c4)n3)CC2)c1 ZINC000035528156 569699505 /nfs/dbraw/zinc/69/95/05/569699505.db2.gz JIDAGHHVIZEUGD-UHFFFAOYSA-N 0 0 463.607 4.159 50 0 JIAARN O=S(=O)(c1ccccc1N1CCO[C@H](c2ccccc2Br)C1)C(F)(F)F ZINC000072073131 569699578 /nfs/dbraw/zinc/69/95/78/569699578.db2.gz FFLUEDIGNKAHNX-HNNXBMFYSA-N 0 0 450.276 4.321 50 0 JIAARN Cc1ccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3CCC(C)C)cc1F ZINC000035531657 569700455 /nfs/dbraw/zinc/70/04/55/569700455.db2.gz NGOVOTZVAARJFY-UHFFFAOYSA-N 0 0 459.572 4.330 50 0 JIAARN COc1ccc(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)c(OC)c1 ZINC000035533276 569701030 /nfs/dbraw/zinc/70/10/30/569701030.db2.gz UMCZUODRODDZKV-UHFFFAOYSA-N 0 0 459.597 4.071 50 0 JIAARN COc1cc(OC)c(NC(=O)CSc2ncnc3nc(N4CCCC4)sc32)cc1Cl ZINC000035533156 569701035 /nfs/dbraw/zinc/70/10/35/569701035.db2.gz KVRZNVSEFGSSDS-UHFFFAOYSA-N 0 0 465.988 4.088 50 0 JIAARN COc1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)cc1OC ZINC000035533534 569701137 /nfs/dbraw/zinc/70/11/37/569701137.db2.gz IWCJDLXFFURSPA-ZDUSSCGKSA-N 0 0 459.597 4.071 50 0 JIAARN O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1cc(-c2cccs2)nn1-c1ccccc1 ZINC000072272992 569701439 /nfs/dbraw/zinc/70/14/39/569701439.db2.gz YBKMFOFCAWBOLF-UHFFFAOYSA-N 0 0 453.527 4.463 50 0 JIAARN COc1cc2c(cc1OC)n(CC(=O)Nc1cc(Cl)ccc1C)cc(C(=O)c1ccncc1)c2=O ZINC000035535207 569701802 /nfs/dbraw/zinc/70/18/02/569701802.db2.gz XDFSMZGCMSZQSA-UHFFFAOYSA-N 0 0 491.931 4.245 50 0 JIAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Br)ccc32)cc1 ZINC000035535318 569701838 /nfs/dbraw/zinc/70/18/38/569701838.db2.gz SUQCRANTSPXTDI-UHFFFAOYSA-N 0 0 476.330 4.337 50 0 JIAARN Cc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)NCc3ccc(Cl)cc3)c2cc1F ZINC000035535400 569701932 /nfs/dbraw/zinc/70/19/32/569701932.db2.gz NZLLHZVUWFIIKG-UHFFFAOYSA-N 0 0 463.896 4.045 50 0 JIAARN COc1cccc(N2CCN(C(=O)COc3ccc(-c4cnc5ccccc5n4)cc3)CC2)c1 ZINC000035536832 569702163 /nfs/dbraw/zinc/70/21/63/569702163.db2.gz VZUBWGVWXKMKLN-UHFFFAOYSA-N 0 0 454.530 4.033 50 0 JIAARN COc1cccc(N2CCN(C(=O)[C@H](C)Oc3ccc(-c4cnc5ccccc5n4)cc3)CC2)c1 ZINC000035536869 569702173 /nfs/dbraw/zinc/70/21/73/569702173.db2.gz NWKDUUVWBIDAMQ-FQEVSTJZSA-N 0 0 468.557 4.422 50 0 JIAARN COc1ccccc1N1CCN(C(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)CC1 ZINC000035536830 569702204 /nfs/dbraw/zinc/70/22/04/569702204.db2.gz LFJLWMOEFNXZHB-UHFFFAOYSA-N 0 0 454.530 4.033 50 0 JIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000035538435 569702320 /nfs/dbraw/zinc/70/23/20/569702320.db2.gz NWKYQMSGKAVHDE-JNEQXLIQSA-N 0 0 463.534 4.073 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cc(Cl)ccc4C)C3)c(C)s2)no1 ZINC000035555259 569702735 /nfs/dbraw/zinc/70/27/35/569702735.db2.gz XMLCVJPDNZMJLK-HNNXBMFYSA-N 0 0 495.026 4.416 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccccc4CC)C3)c(C)s2)no1 ZINC000035555608 569702916 /nfs/dbraw/zinc/70/29/16/569702916.db2.gz FUFKIHZIEBMKHF-KRWDZBQOSA-N 0 0 488.635 4.271 50 0 JIAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)cs3)CC2)c1 ZINC000035558136 569703532 /nfs/dbraw/zinc/70/35/32/569703532.db2.gz NIVKLTDHBKOSMO-UHFFFAOYSA-N 0 0 472.592 4.023 50 0 JIAARN CCOc1ccc(CNC(=O)C[C@@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000035559353 569703743 /nfs/dbraw/zinc/70/37/43/569703743.db2.gz VRZBPHYVNQTGJY-AREMUKBSSA-N 0 0 478.614 4.388 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=C1SC(=O)N=C1Nc1ccc(Cl)cc1 ZINC000072401147 569703771 /nfs/dbraw/zinc/70/37/71/569703771.db2.gz XHKHICABAFDGHM-GESOSKEOSA-N 0 0 450.973 4.231 50 0 JIAARN COc1ccc(-c2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3n2)cc1 ZINC000035595015 569705273 /nfs/dbraw/zinc/70/52/73/569705273.db2.gz CEMXAHOXALCLQU-XWFZLUIHSA-N 0 0 496.633 4.083 50 0 JIAARN COc1ccccc1-n1ncc2c1c(SCC(=O)NCc1ccc3c(c1)OCO3)nnc2C(C)C ZINC000035596845 569705297 /nfs/dbraw/zinc/70/52/97/569705297.db2.gz NZBXESDZWLENRP-UHFFFAOYSA-N 0 0 491.573 4.085 50 0 JIAARN CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(C2CCCCC2)C1=O ZINC000035712732 569708012 /nfs/dbraw/zinc/70/80/12/569708012.db2.gz QPLYMSULVXJTFJ-UHFFFAOYSA-O 0 0 489.571 4.335 50 0 JIAARN CCOC(=O)C1=C(C)N(CC)C(=S)N[C@H]1c1cccc(NC(=O)NCc2ccccc2)c1 ZINC000035729770 569709201 /nfs/dbraw/zinc/70/92/01/569709201.db2.gz JQRPGQACHKGAOU-NRFANRHFSA-N 0 0 452.580 4.097 50 0 JIAARN COc1ccc(CCN(Cc2ccc(C)s2)C(=O)CN(CC(C)C)C(=O)N(C)C)cc1OC ZINC000035797389 569711273 /nfs/dbraw/zinc/71/12/73/569711273.db2.gz FDBBKPSKRNTGJS-UHFFFAOYSA-N 0 0 475.655 4.285 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1 ZINC000085642590 569711689 /nfs/dbraw/zinc/71/16/89/569711689.db2.gz ZHLKWLHXRJTXQJ-UHFFFAOYSA-N 0 0 472.655 4.119 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C)c2C)CC1 ZINC000085642602 569711803 /nfs/dbraw/zinc/71/18/03/569711803.db2.gz CZVKCIHWQISZPU-UHFFFAOYSA-N 0 0 466.607 4.145 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2c(C)cccc2C)CC1 ZINC000085642606 569711826 /nfs/dbraw/zinc/71/18/26/569711826.db2.gz INRLEIVONFXJOE-UHFFFAOYSA-N 0 0 466.607 4.145 50 0 JIAARN Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)n(Cc2ccc(C)cc2)c(C)c1N1CCOCC1 ZINC000035835025 569713354 /nfs/dbraw/zinc/71/33/54/569713354.db2.gz FPQRNTPDGGMNAX-UHFFFAOYSA-N 0 0 490.623 4.400 50 0 JIAARN Cc1ccc(Cn2c(C(=O)N3CCN(C(=O)COc4ccccc4)[C@@H](C)C3)cc3ccoc32)cc1 ZINC000035843941 569714752 /nfs/dbraw/zinc/71/47/52/569714752.db2.gz KZAPRSTTYOFOOG-NRFANRHFSA-N 0 0 471.557 4.343 50 0 JIAARN C[C@H](C(=O)NCCc1c[nH]c2ccc(Cl)cc12)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000085813172 569715533 /nfs/dbraw/zinc/71/55/33/569715533.db2.gz HWCHWGPKPHAYBB-HNNXBMFYSA-N 0 0 480.055 4.279 50 0 JIAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035851701 569716537 /nfs/dbraw/zinc/71/65/37/569716537.db2.gz PDLCOTZAEQZHFB-SYSFZUQMSA-N 0 0 470.356 4.041 50 0 JIAARN CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)cc1OC ZINC000086056896 569717058 /nfs/dbraw/zinc/71/70/58/569717058.db2.gz PILQAKPFSAFEKC-QGZVFWFLSA-N 0 0 451.548 4.334 50 0 JIAARN CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[nH]c(=O)c32)ccc1OC ZINC000086057289 569717212 /nfs/dbraw/zinc/71/72/12/569717212.db2.gz JTBIWKJAOQBNSE-QGZVFWFLSA-N 0 0 451.548 4.252 50 0 JIAARN CCOc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)ccc1OC ZINC000086057689 569717448 /nfs/dbraw/zinc/71/74/48/569717448.db2.gz GGRZDMLYHXXXPR-HNNXBMFYSA-N 0 0 455.511 4.083 50 0 JIAARN CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[nH]c(=O)c21 ZINC000086057777 569717588 /nfs/dbraw/zinc/71/75/88/569717588.db2.gz REDWWMJJFXCLKN-INIZCTEOSA-N 0 0 455.511 4.083 50 0 JIAARN COc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2F)C1 ZINC000086077186 569717696 /nfs/dbraw/zinc/71/76/96/569717696.db2.gz NTJADWSGLPBYCL-CYBMUJFWSA-N 0 0 459.319 4.395 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Oc3ccccc3)CC2)c(C)c1 ZINC000089614388 569719086 /nfs/dbraw/zinc/71/90/86/569719086.db2.gz KAXFSPOQJKPQOT-UHFFFAOYSA-N 0 0 479.602 4.041 50 0 JIAARN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@H]1[C@@H](C(=O)NCc1ccccc1F)C2 ZINC000035872088 569719201 /nfs/dbraw/zinc/71/92/01/569719201.db2.gz SHFXTGCBSIBGTO-IGKIAQTJSA-N 0 0 459.565 4.327 50 0 JIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(CCc2ccccc2)C(=O)[C@H](C)O3)cc1OC ZINC000035883547 569720026 /nfs/dbraw/zinc/72/00/26/569720026.db2.gz GAFNOBSGCMSLRP-SFHVURJKSA-N 0 0 460.530 4.308 50 0 JIAARN O=C(COc1ccccc1Cc1ccccc1)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000089840342 569720105 /nfs/dbraw/zinc/72/01/05/569720105.db2.gz CWQBWLHSCTXPTN-UHFFFAOYSA-N 0 0 460.599 4.413 50 0 JIAARN COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)CN(Cc2ccccc2F)C(=O)[C@@H](C)O3)c1 ZINC000035884568 569720135 /nfs/dbraw/zinc/72/01/35/569720135.db2.gz YODRJAOBNOYXCN-MRXNPFEDSA-N 0 0 464.493 4.405 50 0 JIAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccccc1F ZINC000089861098 569720241 /nfs/dbraw/zinc/72/02/41/569720241.db2.gz LGZCMHNEKSTKJN-UHFFFAOYSA-N 0 0 453.491 4.007 50 0 JIAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC000035889769 569721520 /nfs/dbraw/zinc/72/15/20/569721520.db2.gz HRJJEQRPRJCONG-UHFFFAOYSA-N 0 0 460.578 4.302 50 0 JIAARN COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3)c(=O)oc21 ZINC000095470711 569723360 /nfs/dbraw/zinc/72/33/60/569723360.db2.gz OAZSQBGTEXTGQG-UHFFFAOYSA-N 0 0 478.526 4.472 50 0 JIAARN O=C(NC1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccn3)C[C@@H]12 ZINC000035907880 569723510 /nfs/dbraw/zinc/72/35/10/569723510.db2.gz HNGGWEVTMZNDKO-UNMCSNQZSA-N 0 0 458.528 4.417 50 0 JIAARN CCOC(=O)N1CCN(Cc2cnc(C)c3oc(-c4cc(=O)oc5cc(C)ccc54)cc32)CC1 ZINC000095476538 569724338 /nfs/dbraw/zinc/72/43/38/569724338.db2.gz VRCFVGKLZHCZKH-UHFFFAOYSA-N 0 0 461.518 4.492 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)C4CCC4)CC3)c12 ZINC000035908831 569724416 /nfs/dbraw/zinc/72/44/16/569724416.db2.gz ZCVYGXKFXFXIMI-UHFFFAOYSA-N 0 0 466.589 4.163 50 0 JIAARN COc1cccc(CC(=O)Nc2ccc3c(c2)CN(Cc2cccc(OC)c2)C(=O)[C@H](C)O3)c1 ZINC000035909301 569724589 /nfs/dbraw/zinc/72/45/89/569724589.db2.gz OOXLZGKQZYDDRZ-SFHVURJKSA-N 0 0 460.530 4.195 50 0 JIAARN COc1ccc(CN2Cc3cc(NC(=O)c4ccc(F)cc4)ccc3O[C@H](C)C2=O)c(OC)c1 ZINC000035909795 569725003 /nfs/dbraw/zinc/72/50/03/569725003.db2.gz ULOFNSOVLPKDNE-MRXNPFEDSA-N 0 0 464.493 4.405 50 0 JIAARN Cc1ccc(C)c(-c2cc3c4nn(CC(=O)Nc5cc(Cl)ccc5C)c(=O)n4ccn3n2)c1 ZINC000095536371 569725795 /nfs/dbraw/zinc/72/57/95/569725795.db2.gz GSGVGCFGGYREGC-UHFFFAOYSA-N 0 0 460.925 4.028 50 0 JIAARN CC(C)CN(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)COc1ccc(Cl)cc1 ZINC000095537435 569726001 /nfs/dbraw/zinc/72/60/01/569726001.db2.gz UOEYXQAQEPDJGD-UHFFFAOYSA-N 0 0 457.914 4.225 50 0 JIAARN COc1ccc(-c2cc3c4nnc(CCC(=O)NCc5ccccc5C(F)(F)F)n4ccn3n2)cc1 ZINC000095537812 569726160 /nfs/dbraw/zinc/72/61/60/569726160.db2.gz OCQVDFHXMYFDNS-UHFFFAOYSA-N 0 0 494.477 4.320 50 0 JIAARN O=C(CCc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)NCc1ccccc1C(F)(F)F ZINC000095537811 569726178 /nfs/dbraw/zinc/72/61/78/569726178.db2.gz YMEMGRMTJUFQDU-UHFFFAOYSA-N 0 0 482.441 4.451 50 0 JIAARN COCc1nc(C)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000095538648 569726283 /nfs/dbraw/zinc/72/62/83/569726283.db2.gz QYHABPJQRJNONJ-UHFFFAOYSA-N 0 0 464.532 4.236 50 0 JIAARN Cc1ccc(-n2nc(C(F)(F)F)c3cc(C(=O)NCCNC(=O)CC(C)C)sc32)cc1 ZINC000095541113 569726582 /nfs/dbraw/zinc/72/65/82/569726582.db2.gz PRJRHRNFWOIVFD-UHFFFAOYSA-N 0 0 452.502 4.306 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCC(C)C)n3c2=O)nn1-c1cc(F)ccc1F ZINC000035911975 569727117 /nfs/dbraw/zinc/72/71/17/569727117.db2.gz RUGCLOQXZQACGS-UHFFFAOYSA-N 0 0 485.560 4.209 50 0 JIAARN CCCCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccccc4OC)n3)c(=O)n12 ZINC000035912052 569727215 /nfs/dbraw/zinc/72/72/15/569727215.db2.gz YTQOAGXTHLNPEV-UHFFFAOYSA-N 0 0 493.633 4.473 50 0 JIAARN CN1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccco3)n2-c2ccc(F)cc2)CC1 ZINC000095546830 569727361 /nfs/dbraw/zinc/72/73/61/569727361.db2.gz GXLZNGPALHQNDI-UHFFFAOYSA-N 0 0 477.565 4.346 50 0 JIAARN CC(=O)N1CCCN(c2nc(Cc3ccc(C)cc3)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000035912866 569727952 /nfs/dbraw/zinc/72/79/52/569727952.db2.gz RYUBNVRYAYRUOA-UHFFFAOYSA-N 0 0 454.578 4.082 50 0 JIAARN CCc1ccc(CNC(=O)CCc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)cc1 ZINC000095609137 569728080 /nfs/dbraw/zinc/72/80/80/569728080.db2.gz VOFKYPCZFBISCJ-UHFFFAOYSA-N 0 0 452.562 4.472 50 0 JIAARN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2ccccc2Br)C1=O ZINC000095929336 569730605 /nfs/dbraw/zinc/73/06/05/569730605.db2.gz UPJJYQAHAHVPRM-OAQYLSRUSA-N 0 0 463.335 4.411 50 0 JIAARN COCC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccccc2)C(=O)c2ccc(OC)cc2)c1 ZINC000035944273 569731730 /nfs/dbraw/zinc/73/17/30/569731730.db2.gz FQGDVLCXOGZAJJ-UHFFFAOYSA-N 0 0 461.562 4.189 50 0 JIAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000035944792 569732202 /nfs/dbraw/zinc/73/22/02/569732202.db2.gz FKYKIYSLNKGMPK-UHFFFAOYSA-N 0 0 484.597 4.424 50 0 JIAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1 ZINC000035944915 569732310 /nfs/dbraw/zinc/73/23/10/569732310.db2.gz QTWWGWKOUCKYPP-QHCPKHFHSA-N 0 0 453.558 4.452 50 0 JIAARN CN(C)c1ccc(NC(=O)C2CC2)cc1CN(C[C@@H]1CCCO1)S(=O)(=O)c1cccc(Cl)c1 ZINC000035945075 569732445 /nfs/dbraw/zinc/73/24/45/569732445.db2.gz UJHYBQRSTDKMPC-NRFANRHFSA-N 0 0 492.041 4.124 50 0 JIAARN C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(Cc2nc(=O)c3c(-c4cccs4)csc3[nH]2)CC1 ZINC000096102401 569732720 /nfs/dbraw/zinc/73/27/20/569732720.db2.gz QNKKNZINQWLZLG-WBVHZDCISA-N 0 0 471.652 4.119 50 0 JIAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(C)cc1 ZINC000035945942 569733079 /nfs/dbraw/zinc/73/30/79/569733079.db2.gz PVEXGUDVLAEQSY-QFIPXVFZSA-N 0 0 456.974 4.004 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OC)c(O)c2)cc1 ZINC000096114055 569733242 /nfs/dbraw/zinc/73/32/42/569733242.db2.gz DRRVYJQATQILMF-ZJSXRUAMSA-N 0 0 459.454 4.047 50 0 biogenic JIAARN COc1cccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(O)c(OC)c2)c1 ZINC000096115128 569733986 /nfs/dbraw/zinc/73/39/86/569733986.db2.gz HYQUMAOVLKJQBG-ZJSXRUAMSA-N 0 0 459.454 4.047 50 0 biogenic JIAARN COc1cccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OC)c(O)c2)c1 ZINC000096115277 569734283 /nfs/dbraw/zinc/73/42/83/569734283.db2.gz OHJGDHLKBLPERU-ZJSXRUAMSA-N 0 0 459.454 4.047 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1Cl)C(=O)c1ccco1 ZINC000035948225 569735059 /nfs/dbraw/zinc/73/50/59/569735059.db2.gz YDZPXQOFOHKDMV-IBGZPJMESA-N 0 0 471.966 4.461 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1)C(=O)c1ccccc1Cl ZINC000035948139 569735081 /nfs/dbraw/zinc/73/50/81/569735081.db2.gz XSBCZIJAWPQPPX-QHCPKHFHSA-N 0 0 495.963 4.408 50 0 JIAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)cc1OC ZINC000035948405 569735365 /nfs/dbraw/zinc/73/53/65/569735365.db2.gz OJFSZMLLINDHQL-SFHVURJKSA-N 0 0 457.596 4.338 50 0 JIAARN CN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc2c(c1)OCO2)C(=O)C1CCCC1 ZINC000035948754 569735587 /nfs/dbraw/zinc/73/55/87/569735587.db2.gz IAZXOJUXYXRJGL-OAQYLSRUSA-N 0 0 467.953 4.395 50 0 JIAARN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc2c(c1)OCO2)C(=O)c1cccc(F)c1 ZINC000035948713 569735604 /nfs/dbraw/zinc/73/56/04/569735604.db2.gz QJBMPTRBDFNDBM-LJQANCHMSA-N 0 0 465.506 4.066 50 0 JIAARN CCOC(=O)c1ccn(-c2ccc(NC(=O)/C=C\c3cccc(OC)c3OC(F)F)cc2)n1 ZINC000096133867 569736337 /nfs/dbraw/zinc/73/63/37/569736337.db2.gz YVXZIXJIVUUYEN-GHXNOFRVSA-N 0 0 457.433 4.311 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccs3)[C@H](c3ccccc3F)C2)c(OC)c1 ZINC000035961002 569736729 /nfs/dbraw/zinc/73/67/29/569736729.db2.gz UJTPKIQWFDECQM-NRFANRHFSA-N 0 0 481.549 4.354 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1OC)C(=O)c1cccs1 ZINC000035961040 569736761 /nfs/dbraw/zinc/73/67/61/569736761.db2.gz GPJHLQCYHGVFQT-QFIPXVFZSA-N 0 0 495.576 4.362 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000035961128 569736870 /nfs/dbraw/zinc/73/68/70/569736870.db2.gz DJSBRCWFGDAYLW-QFIPXVFZSA-N 0 0 451.567 4.276 50 0 JIAARN COc1ccccc1[C@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(C)C(=O)NC(C)(C)C ZINC000035961321 569737006 /nfs/dbraw/zinc/73/70/06/569737006.db2.gz JPKAPDLQBWZHTF-JOCHJYFZSA-N 0 0 450.583 4.430 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1)C(=O)c1ccc(OC)cc1 ZINC000035961610 569737120 /nfs/dbraw/zinc/73/71/20/569737120.db2.gz ZMPKQSMNCWSANZ-SANMLTNESA-N 0 0 489.547 4.301 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)cc1)C(=O)CC(C)(C)C ZINC000035961953 569737351 /nfs/dbraw/zinc/73/73/51/569737351.db2.gz LQJXSAMPCUXOLJ-VWLOTQADSA-N 0 0 495.620 4.293 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)c3ccco3)[C@H](c3ccccc3Cl)C2)c1 ZINC000035962067 569737506 /nfs/dbraw/zinc/73/75/06/569737506.db2.gz DLCZHVBHJWWRKK-NRFANRHFSA-N 0 0 451.910 4.392 50 0 JIAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(=O)c2cc(-c3c(C)cc(C)cc3C)on2)C1 ZINC000096210819 569738056 /nfs/dbraw/zinc/73/80/56/569738056.db2.gz GDNSXSMHKDIKER-UNMCSNQZSA-N 0 0 481.593 4.063 50 0 JIAARN CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)Nc3ccc(F)cc3)C2)[C@H](c2ccccc2)NC1=O ZINC000035964304 569738169 /nfs/dbraw/zinc/73/81/69/569738169.db2.gz RFVUVMHJQFZIDK-REWPJTCUSA-N 0 0 464.541 4.062 50 0 JIAARN CCN1C2=C(C(=O)N([C@H](C(=O)NCC(C)C)c3ccccc3)C2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000035964883 569738322 /nfs/dbraw/zinc/73/83/22/569738322.db2.gz XOWXIXHHODDMDR-GOTSBHOMSA-N 0 0 480.996 4.036 50 0 JIAARN COc1cc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc2c1OCCO2 ZINC000096222820 569739791 /nfs/dbraw/zinc/73/97/91/569739791.db2.gz XULWHIMLVSCAFP-GOSISDBHSA-N 0 0 472.449 4.386 50 0 biogenic JIAARN O=C(CCC(=O)NC(=S)Nc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)cc1 ZINC000096558642 569741121 /nfs/dbraw/zinc/74/11/21/569741121.db2.gz ZZZXBVOQFPEEPN-UHFFFAOYSA-N 0 0 455.392 4.100 50 0 JIAARN CNC(=O)C1CCN(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000096837097 569743292 /nfs/dbraw/zinc/74/32/92/569743292.db2.gz GIMCFWWZLDIMEA-QXMHVHEDSA-N 0 0 454.530 4.283 50 0 JIAARN Cc1ccccc1C(=O)N1[C@H](C(=O)N[C@H](C)c2ccccc2)COC12CCN(C(=O)CC(C)C)CC2 ZINC000035987391 569743475 /nfs/dbraw/zinc/74/34/75/569743475.db2.gz OJGGUVRGCQHLAR-RDGATRHJSA-N 0 0 491.632 4.078 50 0 JIAARN Cc1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(OC(F)F)cc3)C2=O)c(C)s1 ZINC000096875439 569743521 /nfs/dbraw/zinc/74/35/21/569743521.db2.gz JXCIZRRTRQQGMH-MHWRWJLKSA-N 0 0 452.504 4.433 50 0 JIAARN C[C@@H]1Cn2c3c(nc2N(c2ccc(Cl)cc2)C1)n(C)c(=O)n(C/C=C\c1ccccc1)c3=O ZINC000096936057 569743862 /nfs/dbraw/zinc/74/38/62/569743862.db2.gz AXWWGJGIHVTLEQ-SKHCZCESSA-N 0 0 461.953 4.051 50 0 JIAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)nc(N3CCN(C(=O)c4ccccc4Cl)CC3)c12 ZINC000035990216 569743973 /nfs/dbraw/zinc/74/39/73/569743973.db2.gz PSEQZWADANXSCL-UHFFFAOYSA-N 0 0 460.969 4.357 50 0 JIAARN O=C(c1cccs1)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2ccccc2Cl)CC1 ZINC000035992332 569744931 /nfs/dbraw/zinc/74/49/31/569744931.db2.gz KPQWULHFIMTDAE-UHFFFAOYSA-N 0 0 464.982 4.370 50 0 JIAARN O=C(c1ccc(F)cc1)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2ccccc2Cl)CC1 ZINC000035992328 569744992 /nfs/dbraw/zinc/74/49/92/569744992.db2.gz HVDYRTOKQSIDFH-UHFFFAOYSA-N 0 0 476.943 4.448 50 0 JIAARN COC(=O)c1ccccc1NC(=O)N1CCN(Cc2nc3cccnc3n2-c2cc(C)cc(C)c2)CC1 ZINC000097937924 569745922 /nfs/dbraw/zinc/74/59/22/569745922.db2.gz UHNORBSDTKPGBM-UHFFFAOYSA-N 0 0 498.587 4.174 50 0 JIAARN 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COc1ccc(-n2nc(C)c3c2nc(C2CC2)nc3N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000036006034 569747394 /nfs/dbraw/zinc/74/73/94/569747394.db2.gz JHEFWJKPRBYWMJ-UHFFFAOYSA-N 0 0 482.588 4.281 50 0 JIAARN COc1ccc(-n2nc(C)c3c2nc(C2CC2)nc3N2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000036006255 569747479 /nfs/dbraw/zinc/74/74/79/569747479.db2.gz BDGFPLIXEGYCRX-UHFFFAOYSA-N 0 0 488.617 4.424 50 0 JIAARN COc1cccc(-n2c(=O)c3ccccc3n([C@@H](C)C(=O)NCc3cccc(C(F)(F)F)c3)c2=O)c1 ZINC000036009355 569747955 /nfs/dbraw/zinc/74/79/55/569747955.db2.gz QXQGNKHTLMPAFW-INIZCTEOSA-N 0 0 497.473 4.057 50 0 JIAARN O=C(c1csc(Nc2cccc(Cl)c2Cl)n1)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000036010194 569748060 /nfs/dbraw/zinc/74/80/60/569748060.db2.gz BZXSGYOPESPPPO-INIZCTEOSA-N 0 0 469.394 4.047 50 0 JIAARN CC(C)N(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)C1CCC1 ZINC000036013515 569748614 /nfs/dbraw/zinc/74/86/14/569748614.db2.gz ACFCKOUPIWQCNJ-UHFFFAOYSA-N 0 0 495.599 4.155 50 0 JIAARN COc1ccc(C(=O)N2CCC3(CC2)N[C@@H](Cc2ccccc2)C(=O)N3Cc2ccc(F)cc2)cc1 ZINC000036014074 569748869 /nfs/dbraw/zinc/74/88/69/569748869.db2.gz PBUJQVHZRBGMQM-SANMLTNESA-N 0 0 487.575 4.010 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C\c1ccc(-c2ccccc2)s1 ZINC000097997389 569749012 /nfs/dbraw/zinc/74/90/12/569749012.db2.gz MCLYIZKWXJDUFU-WQLSENKSSA-N 0 0 484.599 4.097 50 0 JIAARN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)N3CCCCC3)C[C@@H]3CCCO3)no2)c(C)c1 ZINC000036015823 569749235 /nfs/dbraw/zinc/74/92/35/569749235.db2.gz YRUADIXBSPLISC-NRFANRHFSA-N 0 0 453.583 4.291 50 0 JIAARN Cc1oc(-c2cccs2)nc1CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000098003832 569749446 /nfs/dbraw/zinc/74/94/46/569749446.db2.gz PVAYBDTZWKSRBS-LDADJPATSA-N 0 0 453.545 4.107 50 0 JIAARN CCC(=O)Nc1ccc(N2CCCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCCCC2)c1 ZINC000036019466 569750005 /nfs/dbraw/zinc/75/00/05/569750005.db2.gz IWFCJFDXRLPXNJ-UHFFFAOYSA-N 0 0 480.584 4.153 50 0 JIAARN COc1ccc(NC(=S)N2CCC3(CC2)N[C@@H](C)C(=O)N3Cc2cccc(C(F)(F)F)c2)cc1 ZINC000036026828 569750993 /nfs/dbraw/zinc/75/09/93/569750993.db2.gz PGCRVRGGYCVTQI-INIZCTEOSA-N 0 0 492.567 4.223 50 0 JIAARN COc1ccc(NC(=S)N2CCC3(CC2)N[C@H](CC(C)C)C(=O)N3Cc2ccc(F)cc2)cc1 ZINC000036029852 569751290 /nfs/dbraw/zinc/75/12/90/569751290.db2.gz RIICLUWWWBPDNK-HSZRJFAPSA-N 0 0 484.641 4.370 50 0 JIAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)C(=O)Cc1ccccc1 ZINC000036030117 569751517 /nfs/dbraw/zinc/75/15/17/569751517.db2.gz CJBVAUWYVVHAQN-UHFFFAOYSA-N 0 0 453.608 4.104 50 0 JIAARN CC(C)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)c1ccccc1 ZINC000036030833 569751795 /nfs/dbraw/zinc/75/17/95/569751795.db2.gz OYWMVIXINOLARF-XMMPIXPASA-N 0 0 499.608 4.226 50 0 JIAARN CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1CC(C)C)C1CC1 ZINC000036032040 569752123 /nfs/dbraw/zinc/75/21/23/569752123.db2.gz MRFASZNVCXNTBP-UHFFFAOYSA-N 0 0 469.076 4.025 50 0 JIAARN COC(=O)Cc1c(C(=O)OC)sc2nc(CN3CCC(CCc4ccc(C)cc4)CC3)[nH]c(=O)c12 ZINC000036033857 569752250 /nfs/dbraw/zinc/75/22/50/569752250.db2.gz XICZGWZDUIMVDH-UHFFFAOYSA-N 0 0 497.617 4.052 50 0 JIAARN CC[C@@H](C)CN1C(=O)[C@@H](CC(C)C)NC12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036038443 569752386 /nfs/dbraw/zinc/75/23/86/569752386.db2.gz QADFWPDYGRMPKE-OXQOHEQNSA-N 0 0 490.497 4.367 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1Cl)N(C(=O)NC(C)(C)C)CC2 ZINC000036039284 569752488 /nfs/dbraw/zinc/75/24/88/569752488.db2.gz HOVMXMJMRILHCB-LJQANCHMSA-N 0 0 459.974 4.195 50 0 JIAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(CCN(C)C)C(=O)CC(C)(C)C)n1CC(C)C ZINC000036039773 569752691 /nfs/dbraw/zinc/75/26/91/569752691.db2.gz CKQVCCHCAOTNRY-UHFFFAOYSA-N 0 0 490.714 4.148 50 0 JIAARN COCCn1c(CN(C(=O)c2ccccc2C)C(C)C)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000036039869 569752826 /nfs/dbraw/zinc/75/28/26/569752826.db2.gz ULLUOSKLFNESII-UHFFFAOYSA-N 0 0 487.597 4.002 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 ZINC000100095793 569752872 /nfs/dbraw/zinc/75/28/72/569752872.db2.gz XYRNWMQMIMEGIH-OAQYLSRUSA-N 0 0 462.527 4.020 50 0 JIAARN CC(C)C(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000036040234 569753041 /nfs/dbraw/zinc/75/30/41/569753041.db2.gz VZDDXJPXAKCYTA-VWLOTQADSA-N 0 0 495.645 4.069 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)c1cccs1)N(C(=O)Nc1ccccc1)CC2 ZINC000036041069 569753601 /nfs/dbraw/zinc/75/36/01/569753601.db2.gz NAJIZNHUIQLTAC-LJQANCHMSA-N 0 0 451.548 4.327 50 0 JIAARN CC(C)n1c(CN(C(=O)c2cccs2)C2CC2)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000036042675 569754064 /nfs/dbraw/zinc/75/40/64/569754064.db2.gz JDBOUDHHHROBMK-UHFFFAOYSA-N 0 0 461.584 4.443 50 0 JIAARN CC(C)NC(=O)N(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C)C1CC1 ZINC000036042866 569754264 /nfs/dbraw/zinc/75/42/64/569754264.db2.gz FODPSQZFBWNRIX-UHFFFAOYSA-N 0 0 453.008 4.174 50 0 JIAARN COc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(C(=O)c3cccc(OC)c3)C(C)C)n2)cc1 ZINC000036044782 569755238 /nfs/dbraw/zinc/75/52/38/569755238.db2.gz YQHGZUKLFRFUCA-UHFFFAOYSA-N 0 0 498.583 5.046 50 0 JIAARN COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)c2ccccc2)C2CC2)cc1OC ZINC000036049330 569756265 /nfs/dbraw/zinc/75/62/65/569756265.db2.gz SCXRLFRKAKSIKZ-UHFFFAOYSA-N 0 0 496.567 4.800 50 0 JIAARN COc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(C(=O)c3ccco3)C3CC3)n2)cc1 ZINC000036051162 569756369 /nfs/dbraw/zinc/75/63/69/569756369.db2.gz KTZNPLZECWDUEV-UHFFFAOYSA-N 0 0 470.529 4.693 50 0 JIAARN CCCC1C(=O)N=C(Sc2cc(O)n(-c3ccc(Oc4ccccc4)cc3)c2O)NC1=O ZINC000100283164 569756703 /nfs/dbraw/zinc/75/67/03/569756703.db2.gz AYUNINKHYOCMGX-GOSISDBHSA-N 0 0 451.504 4.057 50 0 JIAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cc3c(cc2Br)OCCO3)C1=O ZINC000036234788 569757546 /nfs/dbraw/zinc/75/75/46/569757546.db2.gz MSSSMWTWFHMGOX-FQEVSTJZSA-N 0 0 465.731 4.231 50 0 JIAARN O=C(NCCc1ccccc1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000036253045 569758418 /nfs/dbraw/zinc/75/84/18/569758418.db2.gz XVEHIZYSTCRYSP-XMMPIXPASA-N 0 0 454.014 4.016 50 0 JIAARN O=C(N[C@@H]1CCCc2ccccc21)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036252501 569758422 /nfs/dbraw/zinc/75/84/22/569758422.db2.gz SJRJCLXKBHVRHA-CLJLJLNGSA-N 0 0 463.597 4.336 50 0 JIAARN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000100399265 569759142 /nfs/dbraw/zinc/75/91/42/569759142.db2.gz DAKLRVIWORURDB-MAODMQOUSA-N 0 0 480.948 4.287 50 0 JIAARN O=C(NCCc1ccccc1)[C@@H](C1CCCC1)N1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000036311076 569759385 /nfs/dbraw/zinc/75/93/85/569759385.db2.gz CWHRCSCHGFIZPS-XMMPIXPASA-N 0 0 468.642 4.058 50 0 JIAARN CC(C)c1ccc(NC(=O)N2CCN([C@H](C(=O)NCc3ccccn3)C3CCCC3)CC2)cc1 ZINC000036310503 569759393 /nfs/dbraw/zinc/75/93/93/569759393.db2.gz SLCSNIDVFNQNSC-VWLOTQADSA-N 0 0 463.626 4.230 50 0 JIAARN COc1cccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000036311716 569759568 /nfs/dbraw/zinc/75/95/68/569759568.db2.gz SIYNRXVAPGPTQC-HSZRJFAPSA-N 0 0 455.986 4.304 50 0 JIAARN CC(C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)c1cccc(F)c1 ZINC000036312130 569759986 /nfs/dbraw/zinc/75/99/86/569759986.db2.gz CYOHUUWIAZAAGA-UHFFFAOYSA-N 0 0 454.521 4.422 50 0 JIAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2OC)C1 ZINC000036341382 569764540 /nfs/dbraw/zinc/76/45/40/569764540.db2.gz OTRHNPDMNFIQNM-DHLKQENFSA-N 0 0 477.605 4.265 50 0 JIAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2cccc(F)c2)C[C@H]1c1ccc(C)cc1 ZINC000036342518 569765725 /nfs/dbraw/zinc/76/57/25/569765725.db2.gz YUAGXHXFVZQIEW-ZEQRLZLVSA-N 0 0 451.542 4.229 50 0 JIAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccccc2OC)C[C@H]1c1ccc(C)cc1 ZINC000036342514 569765749 /nfs/dbraw/zinc/76/57/49/569765749.db2.gz FFBQGGXIPOJZQE-ZEQRLZLVSA-N 0 0 463.578 4.099 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@@H](c3ccc(OC)cc3OC)C2)c1 ZINC000036343304 569766304 /nfs/dbraw/zinc/76/63/04/569766304.db2.gz VXEIOQSZSIUCMF-HHHXNRCGSA-N 0 0 485.584 4.448 50 0 JIAARN 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468.550 4.448 50 0 JIAARN CCCCN(C)C(=O)[C@H]1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@@H]1c1ccc(OC)cc1 ZINC000004035168 194371309 /nfs/dbraw/zinc/37/13/09/194371309.db2.gz BFWNIJYNCNIOON-SQJMNOBHSA-N 0 0 484.593 4.464 50 0 JIAARN COc1ccccc1C(=O)NCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21 ZINC000004056833 194372926 /nfs/dbraw/zinc/37/29/26/194372926.db2.gz OGVIXTLACOFXCC-UHFFFAOYSA-N 0 0 464.547 4.107 50 0 JIAARN O=c1c2ccc[nH]c-2c(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1Cc1ccccc1 ZINC000004057060 194372950 /nfs/dbraw/zinc/37/29/50/194372950.db2.gz UBVUVXPICSECCJ-DEOSSOPVSA-N 0 0 462.575 4.023 50 0 JIAARN O=c1c2ccc[nH]c-2c(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1Cc1ccccc1 ZINC000004057148 194373256 /nfs/dbraw/zinc/37/32/56/194373256.db2.gz BVWYFRVBQUGQAG-VWLOTQADSA-N 0 0 476.602 4.413 50 0 JIAARN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000004109472 194378617 /nfs/dbraw/zinc/37/86/17/194378617.db2.gz MLGSKDBVOLVMGC-UHFFFAOYSA-N 0 0 489.439 4.025 50 0 JIAARN CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c(C)c4)c3)nn12 ZINC000004125355 194380627 /nfs/dbraw/zinc/38/06/27/194380627.db2.gz WSBRLMBYIKALTJ-UHFFFAOYSA-N 0 0 450.593 4.467 50 0 JIAARN COCCN(Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)NC(C)(C)C ZINC000004198306 194384060 /nfs/dbraw/zinc/38/40/60/194384060.db2.gz BZJWZTSQLOTAKS-UHFFFAOYSA-N 0 0 488.528 4.430 50 0 JIAARN CCOc1cc(C(=O)Nc2sc3c(c2C(=O)OC)[C@H](C(=O)OC)CC3)cc(OCC)c1OCC ZINC000004290614 194387639 /nfs/dbraw/zinc/38/76/39/194387639.db2.gz JRCXPSBCKJFPTK-CQSZACIVSA-N 0 0 491.562 4.186 50 0 JIAARN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC000004647644 194393607 /nfs/dbraw/zinc/39/36/07/194393607.db2.gz XJVYZVRHXKYONG-IBGZPJMESA-N 0 0 494.569 4.491 50 0 JIAARN CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3c4ccccc4C(=O)N4CCc5ccccc5[C@@H]34)CC2)cc1 ZINC000004789400 194399580 /nfs/dbraw/zinc/39/95/80/194399580.db2.gz SQJUYYRSDVCEDI-IZLXSDGUSA-N 0 0 479.580 4.075 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccs1 ZINC000004760255 194395690 /nfs/dbraw/zinc/39/56/90/194395690.db2.gz XJBRJDTZRHTCTQ-PKTZIBPZSA-N 0 0 494.569 4.491 50 0 JIAARN CC[C@H](C)NC(=O)c1cnn2c1N[C@H](c1cc(OC)c(OC)c(OC)c1)C[C@@H]2C(F)(F)F ZINC000006821311 194434781 /nfs/dbraw/zinc/43/47/81/194434781.db2.gz GINCKGZIJXUHEG-PZSREKOKSA-N 0 0 456.465 4.098 50 0 JIAARN CCOc1ccccc1NC(=O)CN1c2ccccc2[C@@]2(SCC(=O)N2c2ccc(C)cc2)C1=O ZINC000008595120 194462577 /nfs/dbraw/zinc/46/25/77/194462577.db2.gz TWLBKJXMLAULRP-HHHXNRCGSA-N 0 0 487.581 4.312 50 0 JIAARN Cc1ccc(-n2nc(C(=O)N3CCN(c4ccccc4F)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000008595728 194463307 /nfs/dbraw/zinc/46/33/07/194463307.db2.gz SKANEYNXUDNMRG-UHFFFAOYSA-N 0 0 495.558 4.287 50 0 JIAARN O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000008597950 194465241 /nfs/dbraw/zinc/46/52/41/194465241.db2.gz KOABTOITMRDICK-UHFFFAOYSA-N 0 0 490.512 4.342 50 0 JIAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)CC2)cc1 ZINC000008598055 194465592 /nfs/dbraw/zinc/46/55/92/194465592.db2.gz JOANTGDEJPLNFK-UHFFFAOYSA-N 0 0 451.592 4.150 50 0 JIAARN CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(OC)ccc32)cc1 ZINC000008599917 194466270 /nfs/dbraw/zinc/46/62/70/194466270.db2.gz FQNCLYFZHKEXFQ-UHFFFAOYSA-N 0 0 456.498 4.279 50 0 JIAARN Cc1cc2oc(C(=O)N(Cc3ccc(Cl)cc3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2cc1Cl ZINC000008670720 194473832 /nfs/dbraw/zinc/47/38/32/194473832.db2.gz ZZYGOIINWVWMDQ-INIZCTEOSA-N 0 0 480.369 4.238 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(Nc3ccc(OC)cc3OC)nc3ccccc32)C1 ZINC000008670958 194474169 /nfs/dbraw/zinc/47/41/69/194474169.db2.gz GXXAHSOTQYISRA-QGZVFWFLSA-N 0 0 463.534 4.411 50 0 JIAARN CC(=O)N1CCc2c(sc(NC(=O)c3cc(C)n(C)n3)c2-c2nc3ccccc3s2)C1 ZINC000009001825 194501443 /nfs/dbraw/zinc/50/14/43/194501443.db2.gz JVISCMCCHVMBNJ-UHFFFAOYSA-N 0 0 451.577 4.224 50 0 JIAARN Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)c2=O)c1 ZINC000009016189 194506304 /nfs/dbraw/zinc/50/63/04/194506304.db2.gz GZMDOUAVYKRLKK-UHFFFAOYSA-N 0 0 490.007 4.231 50 0 JIAARN COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4cccc(OC)c4)C(=O)N32)cc1 ZINC000009034004 194508169 /nfs/dbraw/zinc/50/81/69/194508169.db2.gz VTLYJQOBPFOPKG-ZCYQVOJMSA-N 0 0 481.508 4.446 50 0 biogenic JIAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000009090526 194525063 /nfs/dbraw/zinc/52/50/63/194525063.db2.gz XFPVLFXCJDGDPB-QGZVFWFLSA-N 0 0 473.595 4.202 50 0 JIAARN Cc1cccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(-c3cc(C)cc(C)c3)c2=O)c1 ZINC000009116543 194537301 /nfs/dbraw/zinc/53/73/01/194537301.db2.gz BAJKRQQQGTXLHG-UHFFFAOYSA-N 0 0 453.498 4.463 50 0 JIAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(F)cc3F)c3ccccc32)C[C@@H](C)O1 ZINC000009118558 194540986 /nfs/dbraw/zinc/54/09/86/194540986.db2.gz WKZMXTCCVDIEQG-HZPDHXFCSA-N 0 0 473.545 4.286 50 0 JIAARN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2sccc2-c2ccccc2)c(=O)[nH]c1=O ZINC000009126226 194551500 /nfs/dbraw/zinc/55/15/00/194551500.db2.gz QXDHGKJPBWEEKG-UHFFFAOYSA-N 0 0 474.586 4.494 50 0 JIAARN O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009096758 194528553 /nfs/dbraw/zinc/52/85/53/194528553.db2.gz QEWJIDYXZDIJDF-BJMVGYQFSA-N 0 0 456.898 4.378 50 0 JIAARN CSc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)cc1 ZINC000009115020 194534568 /nfs/dbraw/zinc/53/45/68/194534568.db2.gz VXSLKFMFFRFRLN-UHFFFAOYSA-N 0 0 468.582 4.392 50 0 JIAARN COc1ccc(Br)cc1CNC(=O)c1ccccc1NC(=O)C1=C(C)OCCS1 ZINC000009115158 194534708 /nfs/dbraw/zinc/53/47/08/194534708.db2.gz VRIIFIVVQYVGDE-UHFFFAOYSA-N 0 0 477.380 4.321 50 0 JIAARN CCN(CC)C(=O)CSc1nc(-c2cccc(C)c2)nc2c1Cc1c(CO)cnc(C)c1O2 ZINC000009116391 194536862 /nfs/dbraw/zinc/53/68/62/194536862.db2.gz WWVVFHVIYGLJOH-UHFFFAOYSA-N 0 0 464.591 4.305 50 0 JIAARN COc1ccc2[nH]c(=O)c(CN(C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccccc3)cc2c1 ZINC000009158489 194574955 /nfs/dbraw/zinc/57/49/55/194574955.db2.gz PAJIGCSTHFHEGI-UHFFFAOYSA-N 0 0 474.513 4.410 50 0 JIAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000009168865 194578421 /nfs/dbraw/zinc/57/84/21/194578421.db2.gz WKYHANUMJKUXIU-OUKQBFOZSA-N 0 0 469.520 4.243 50 0 JIAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)occ3-c1ccc(F)cc1 ZINC000009183855 194581230 /nfs/dbraw/zinc/58/12/30/194581230.db2.gz BBRIGFABVDMCAQ-GOSISDBHSA-N 0 0 497.544 4.232 50 0 JIAARN COc1cc2c(cc1NC(=O)COC(=O)CCCN1C(=O)c3ccccc3C1=O)oc1ccccc12 ZINC000009128290 194556134 /nfs/dbraw/zinc/55/61/34/194556134.db2.gz QIFZDBZOYLLMOH-UHFFFAOYSA-N 0 0 486.480 4.153 50 0 JIAARN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)CC(C)(C)C1 ZINC000009132441 194561645 /nfs/dbraw/zinc/56/16/45/194561645.db2.gz FZWLOOSYXFSHLI-VNQPRFMTSA-N 0 0 455.580 4.485 50 0 JIAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2Cl)cc1Br ZINC000009237753 194623548 /nfs/dbraw/zinc/62/35/48/194623548.db2.gz KTAUNBMXGLNGJZ-DLBZAZTESA-N 0 0 494.802 4.409 50 0 JIAARN O=C(NC(=S)Nc1ccc(I)cn1)c1ccc(OCc2ccccc2)cc1 ZINC000009192321 194587768 /nfs/dbraw/zinc/58/77/68/194587768.db2.gz BVAMCWPRTWWSDW-UHFFFAOYSA-N 0 0 489.338 4.392 50 0 JIAARN CCCCCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 ZINC000009199166 194591076 /nfs/dbraw/zinc/59/10/76/194591076.db2.gz OGXDMPBIPZNGNL-HNNXBMFYSA-N 0 0 460.003 4.435 50 0 JIAARN Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)CCCOc4ccccc4)s3)CC2=O)c1 ZINC000009199898 194591637 /nfs/dbraw/zinc/59/16/37/194591637.db2.gz QRXMKYOSULCGGV-SFHVURJKSA-N 0 0 450.564 4.473 50 0 JIAARN CN(CC(=O)NCc1ccco1)C(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 ZINC000009222604 194607886 /nfs/dbraw/zinc/60/78/86/194607886.db2.gz NBQCCCGFPZUZMG-UHFFFAOYSA-N 0 0 476.967 4.065 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(S(=O)(=O)c1ccc(N3CCCC3=O)cc1)CC2 ZINC000009255213 194639451 /nfs/dbraw/zinc/63/94/51/194639451.db2.gz QPBYBJRQKSVBGM-RUZDIDTESA-N 0 0 498.626 4.229 50 0 JIAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009256805 194641023 /nfs/dbraw/zinc/64/10/23/194641023.db2.gz MHDVLRALNWQUCT-HXUWFJFHSA-N 0 0 462.575 4.372 50 0 JIAARN Cc1ccc(CNC(=O)[C@@H](C)n2ccc3cc(S(=O)(=O)N4CCCCCC4)ccc32)cc1 ZINC000009276672 194653522 /nfs/dbraw/zinc/65/35/22/194653522.db2.gz YCGJVNPCEAMWRT-HXUWFJFHSA-N 0 0 453.608 4.392 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009283352 194657334 /nfs/dbraw/zinc/65/73/34/194657334.db2.gz SKXKBRIXWKBKKO-UHFFFAOYSA-N 0 0 485.389 4.272 50 0 JIAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000009284048 194659036 /nfs/dbraw/zinc/65/90/36/194659036.db2.gz BLWUEDAUMZHOCY-PDGQHHTCSA-N 0 0 464.465 4.109 50 0 JIAARN O=C(C[C@@]12CSc3[nH]c(=O)sc3[C@@H]1c1ccccc1OC2=O)Nc1ccc(Cl)cc1 ZINC000009244795 194629912 /nfs/dbraw/zinc/62/99/12/194629912.db2.gz NLLAZCITVFNIEJ-HRAATJIYSA-N 0 0 458.948 4.262 50 0 JIAARN CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1S[C@@H](C)C(=O)Nc1nc(C)cs1 ZINC000009302534 194674575 /nfs/dbraw/zinc/67/45/75/194674575.db2.gz ACIYPYUDEJAGQJ-NSHDSACASA-N 0 0 499.449 4.419 50 0 JIAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3C)s2)c1 ZINC000009305998 194677474 /nfs/dbraw/zinc/67/74/74/194677474.db2.gz VJVWJHHZYOHWSI-UHFFFAOYSA-N 0 0 459.593 4.270 50 0 JIAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(OC)c(OC)c3)c2c1 ZINC000009319915 194690233 /nfs/dbraw/zinc/69/02/33/194690233.db2.gz GYCPVZSNMSWDNS-UHFFFAOYSA-N 0 0 473.529 4.278 50 0 JIAARN C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000009314978 194686754 /nfs/dbraw/zinc/68/67/54/194686754.db2.gz LGNZKSHRGBLOBD-NIYFSFCBSA-N 0 0 461.587 4.175 50 0 JIAARN CCn1c(CCC(=O)Nc2ccccc2Cl)nnc1SCC(=O)N1CCc2ccccc2C1 ZINC000009328977 194694185 /nfs/dbraw/zinc/69/41/85/194694185.db2.gz SPJZSGYXMYBYSA-UHFFFAOYSA-N 0 0 484.025 4.200 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000009332506 194695590 /nfs/dbraw/zinc/69/55/90/194695590.db2.gz XZOQYBOBLJGTSZ-POTDNYQPSA-N 0 0 464.521 4.402 50 0 JIAARN 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ZINC000012766536 195114122 /nfs/dbraw/zinc/11/41/22/195114122.db2.gz VRYJUTHAUGAJRJ-UHFFFAOYSA-N 0 0 497.592 4.219 50 0 JIAARN CC(=O)c1sc(-c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)nc1C ZINC000012769928 195116636 /nfs/dbraw/zinc/11/66/36/195116636.db2.gz DQKXHEMNHIISJJ-UHFFFAOYSA-N 0 0 499.614 4.123 50 0 JIAARN O=c1c(Cl)c(N2CCN(c3ccnc4cc(Cl)ccc43)CC2)cnn1-c1ccccc1 ZINC000012771651 195117917 /nfs/dbraw/zinc/11/79/17/195117917.db2.gz QTDRVKLFGAQQKD-UHFFFAOYSA-N 0 0 452.345 4.414 50 0 JIAARN C[C@@H](NC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1)c1cccc2ccccc21 ZINC000012769760 195116704 /nfs/dbraw/zinc/11/67/04/195116704.db2.gz PCMFMEIBZFHNGN-QGZVFWFLSA-N 0 0 451.573 4.369 50 0 JIAARN Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccn(C)c4)CC3)c3ccccc3n2)c(C)c1 ZINC000012774111 195119525 /nfs/dbraw/zinc/11/95/25/195119525.db2.gz UWPMQWGRJDDSCE-UHFFFAOYSA-N 0 0 488.613 4.004 50 0 JIAARN O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000012774488 195119547 /nfs/dbraw/zinc/11/95/47/195119547.db2.gz NIBXOQLAIPVUHK-UHFFFAOYSA-N 0 0 469.467 4.124 50 0 JIAARN Cc1ccc(/C=C/S(=O)(=O)NCC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000012776878 195121777 /nfs/dbraw/zinc/12/17/77/195121777.db2.gz UUGBAJYMBGCRHD-WUKNDPDISA-N 0 0 486.597 4.054 50 0 JIAARN CC(=O)Nc1ccc(CC(=O)Nc2cccc(NS(=O)(=O)c3ccc(C)c(C)c3)c2)cc1 ZINC000012780555 195124225 /nfs/dbraw/zinc/12/42/25/195124225.db2.gz BBKBKRZZXOWZTG-UHFFFAOYSA-N 0 0 451.548 4.244 50 0 JIAARN CCc1ccc(CN(Cc2cccnc2)C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000012783785 195126264 /nfs/dbraw/zinc/12/62/64/195126264.db2.gz NRYPBHWKCBLCSM-UHFFFAOYSA-N 0 0 495.620 4.413 50 0 JIAARN Cc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)c(C)c1 ZINC000012789496 195130352 /nfs/dbraw/zinc/13/03/52/195130352.db2.gz PLVFBLYHQSFNTF-LJQANCHMSA-N 0 0 451.386 4.248 50 0 JIAARN CCn1c(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nnc1-c1ccc(OC)cc1 ZINC000012789716 195130634 /nfs/dbraw/zinc/13/06/34/195130634.db2.gz AKIIRCDPEGNOCR-FQEVSTJZSA-N 0 0 480.590 4.201 50 0 JIAARN CCn1c(SCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)nnc1-c1cccc(Cl)c1 ZINC000012791807 195132677 /nfs/dbraw/zinc/13/26/77/195132677.db2.gz XEXNQAJATDYTAA-UHFFFAOYSA-N 0 0 485.013 4.087 50 0 JIAARN Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc4c(c3)OC(F)(F)O4)[nH]c(=O)c2c1C ZINC000012793632 195134028 /nfs/dbraw/zinc/13/40/28/195134028.db2.gz RCOCMJLCRAHQPR-SNVBAGLBSA-N 0 0 453.492 4.183 50 0 JIAARN COc1ccc(-c2noc(CCCCCNC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)n2)cc1 ZINC000012794185 195134534 /nfs/dbraw/zinc/13/45/34/195134534.db2.gz WIRIDVUGNTZPBO-UHFFFAOYSA-N 0 0 474.565 4.356 50 0 JIAARN O=C(CNc1ccc(I)cc1)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000012795476 195135444 /nfs/dbraw/zinc/13/54/44/195135444.db2.gz BAVFXLFDXZWFST-HNNXBMFYSA-N 0 0 489.235 4.009 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012795474 195135530 /nfs/dbraw/zinc/13/55/30/195135530.db2.gz WGKIRWBBBYXLQP-UHFFFAOYSA-N 0 0 450.988 4.485 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C/c2ccccc2Br)c1 ZINC000012797361 195136988 /nfs/dbraw/zinc/13/69/88/195136988.db2.gz VTKJSXPYSRUXPK-JLHYYAGUSA-N 0 0 467.385 4.140 50 0 JIAARN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 ZINC000012797992 195137397 /nfs/dbraw/zinc/13/73/97/195137397.db2.gz ACWKDWUGLFDPOD-OKILXGFUSA-N 0 0 452.374 4.048 50 0 JIAARN Cc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000012799381 195138349 /nfs/dbraw/zinc/13/83/49/195138349.db2.gz PHDCYWBPRWBGAY-UHFFFAOYSA-N 0 0 466.525 4.394 50 0 JIAARN CCC(=O)N(c1nnc(SCc2nc(=O)c3c(-c4ccco4)csc3[nH]2)s1)C1CC1 ZINC000012803284 195140558 /nfs/dbraw/zinc/14/05/58/195140558.db2.gz LUJHHWSHQLKFSM-UHFFFAOYSA-N 0 0 459.578 4.294 50 0 JIAARN O=C(CN1CCN(c2nc(-c3ccccn3)nc3sc(-c4ccccc4)cc32)CC1)N1CCCC1 ZINC000012805582 195141170 /nfs/dbraw/zinc/14/11/70/195141170.db2.gz FTBXMLBYHYRJSG-UHFFFAOYSA-N 0 0 484.629 4.165 50 0 JIAARN CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC ZINC000012806948 195142023 /nfs/dbraw/zinc/14/20/23/195142023.db2.gz PNSCXPJSTAMZCE-UUYOSTAYSA-N 0 0 484.618 4.463 50 0 JIAARN COc1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)cc1S(=O)(=O)N1CCCCC1 ZINC000012807097 195142394 /nfs/dbraw/zinc/14/23/94/195142394.db2.gz CXRIRUBAFCAIAD-UHFFFAOYSA-N 0 0 471.000 4.186 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)cc1 ZINC000012807440 195142523 /nfs/dbraw/zinc/14/25/23/195142523.db2.gz VQTHJDCEDADUEC-DEOSSOPVSA-N 0 0 473.639 4.077 50 0 JIAARN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000012807735 195142600 /nfs/dbraw/zinc/14/26/00/195142600.db2.gz PDKJMXVBQXKRHC-AWEZNQCLSA-N 0 0 473.323 4.074 50 0 JIAARN O=C(CC1CCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000012809342 195143511 /nfs/dbraw/zinc/14/35/11/195143511.db2.gz YMGLRAQGDCUCOK-UHFFFAOYSA-N 0 0 462.543 4.158 50 0 JIAARN Cc1cccc(-n2nnnc2SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c1C ZINC000012811145 195144578 /nfs/dbraw/zinc/14/45/78/195144578.db2.gz VPQBNKKDXNDLTN-GOSISDBHSA-N 0 0 464.576 4.404 50 0 JIAARN Cc1sc2nc(S[C@H](C)C(=O)Nc3sccc3C(N)=O)n(CC(C)C)c(=O)c2c1C ZINC000012812944 195145284 /nfs/dbraw/zinc/14/52/84/195145284.db2.gz ATDXABRBXDQRMN-GFCCVEGCSA-N 0 0 464.638 4.011 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CCCOC)c1C ZINC000012816493 195146991 /nfs/dbraw/zinc/14/69/91/195146991.db2.gz YSTQWEDBPFLEKK-UHFFFAOYSA-N 0 0 491.997 4.183 50 0 JIAARN CC[C@H](C)N(C(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccco1)[C@@H](C)CC ZINC000012817028 195147337 /nfs/dbraw/zinc/14/73/37/195147337.db2.gz QIGJPWXQTNQNHF-IRXDYDNUSA-N 0 0 485.606 4.342 50 0 JIAARN NS(=O)(=O)c1cc(C(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)ccc1Cl ZINC000012818866 195148270 /nfs/dbraw/zinc/14/82/70/195148270.db2.gz FYHLMBXGSRQBCG-JOCHJYFZSA-N 0 0 477.897 4.091 50 0 JIAARN CNC(=O)NC(=O)[C@H](C)Sc1nc2scc(-c3cccs3)c2c(=O)n1CCC(C)C ZINC000012821379 195149640 /nfs/dbraw/zinc/14/96/40/195149640.db2.gz XLLUWGQDWIANQD-LBPRGKRZSA-N 0 0 464.638 4.169 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000012824254 195150568 /nfs/dbraw/zinc/15/05/68/195150568.db2.gz NQZARFVQWMKTDX-UHFFFAOYSA-N 0 0 467.497 4.052 50 0 JIAARN COc1ccccc1[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NCc3ccc4c(c3)OCO4)c2N1 ZINC000012847582 195152965 /nfs/dbraw/zinc/15/29/65/195152965.db2.gz NRRJKKBSUSMFBT-UZLBHIALSA-N 0 0 474.439 4.211 50 0 JIAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4ccc5c(c4)OCO5)c3N2)cc1 ZINC000012847958 195153165 /nfs/dbraw/zinc/15/31/65/195153165.db2.gz UWDHJSNUBHQZBW-PXNSSMCTSA-N 0 0 474.439 4.211 50 0 JIAARN COc1ccc(-c2csc3ncnc(N4CCN(S(=O)(=O)c5ccc(C)c(C)c5)CC4)c23)cc1 ZINC000012852319 195155259 /nfs/dbraw/zinc/15/52/59/195155259.db2.gz GBZJGAGSLRJQEC-UHFFFAOYSA-N 0 0 494.642 4.495 50 0 JIAARN Cc1ccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000012853806 195156155 /nfs/dbraw/zinc/15/61/55/195156155.db2.gz DIYNZYCVGZXPCC-UHFFFAOYSA-N 0 0 470.522 4.200 50 0 JIAARN C[C@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000012865834 195161431 /nfs/dbraw/zinc/16/14/31/195161431.db2.gz MYKGGCMFNWZFCE-IRXDYDNUSA-N 0 0 454.954 4.102 50 0 JIAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc3nc(CC)c(CC)nc3c2)cc1OCC ZINC000012867682 195162179 /nfs/dbraw/zinc/16/21/79/195162179.db2.gz UXWGCQMAOHZKIN-UHFFFAOYSA-N 0 0 464.566 4.263 50 0 JIAARN COc1ccc([C@H](C)NS(=O)(=O)c2cc(Br)ccc2Br)cc1F ZINC000012869440 195162904 /nfs/dbraw/zinc/16/29/04/195162904.db2.gz FPAOXOQGKRPXJU-VIFPVBQESA-N 0 0 467.154 4.399 50 0 JIAARN Cc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2cccs2)cc1 ZINC000012870461 195163075 /nfs/dbraw/zinc/16/30/75/195163075.db2.gz QNIXUOOJFLIHNC-QHCPKHFHSA-N 0 0 454.617 4.363 50 0 JIAARN COc1ccc2[nH]cc(CCNC(=O)c3ccc(N4C(=O)[C@@H]5Cc6ccccc6CN5C4=O)cc3)c2c1 ZINC000012900664 195177385 /nfs/dbraw/zinc/17/73/85/195177385.db2.gz WAYRATFXCSEZFL-SANMLTNESA-N 0 0 494.551 4.043 50 0 biogenic JIAARN Cc1ccc(-c2ccsc2C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000012873651 195164951 /nfs/dbraw/zinc/16/49/51/195164951.db2.gz NCSHNGIGWCUTFP-UHFFFAOYSA-N 0 0 462.543 4.148 50 0 JIAARN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012874942 195165405 /nfs/dbraw/zinc/16/54/05/195165405.db2.gz USQXRJCOSWKFJB-NRFANRHFSA-N 0 0 450.963 4.147 50 0 JIAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CCc3ncc(-c4ccccc4F)o3)CC2)c1C ZINC000012875364 195165642 /nfs/dbraw/zinc/16/56/42/195165642.db2.gz WVNLRCXHURYUAX-UHFFFAOYSA-N 0 0 499.608 4.180 50 0 JIAARN COc1cc2c(c(OC)c1OC)-c1ccc(N3CCCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000012877340 195166889 /nfs/dbraw/zinc/16/68/89/195166889.db2.gz MWTIDWXTWRCUIB-NRFANRHFSA-N 0 0 466.578 4.243 50 0 biogenic JIAARN Cc1cc(C)c(NC(=O)CNC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c(C)c1 ZINC000012878769 195167715 /nfs/dbraw/zinc/16/77/15/195167715.db2.gz OJFPZELOZRQHLI-KRWDZBQOSA-N 0 0 465.497 4.188 50 0 JIAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000012880386 195168127 /nfs/dbraw/zinc/16/81/27/195168127.db2.gz JKIQSHUPWDQYCN-UHFFFAOYSA-N 0 0 456.527 4.003 50 0 JIAARN S=c1[nH]c(-c2ccc(Br)cc2)nn1CN1CCC(c2nnc3ccccn32)CC1 ZINC000012880969 195168438 /nfs/dbraw/zinc/16/84/38/195168438.db2.gz FJLKFTWTEYABHL-UHFFFAOYSA-N 0 0 470.400 4.250 50 0 JIAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1 ZINC000012890533 195172554 /nfs/dbraw/zinc/17/25/54/195172554.db2.gz DYZMVIXJUGTUNI-HSZRJFAPSA-N 0 0 451.954 4.177 50 0 JIAARN COc1ccccc1OCCNC(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C ZINC000012891905 195173263 /nfs/dbraw/zinc/17/32/63/195173263.db2.gz NBJSKXYACAQPEW-UHFFFAOYSA-N 0 0 487.628 4.019 50 0 JIAARN Nc1nc(N)nc(COC(=O)c2c3c(nc4ccccc42)/C(=C/c2c(F)cccc2Cl)CC3)n1 ZINC000012895162 195174846 /nfs/dbraw/zinc/17/48/46/195174846.db2.gz WDLYGMKDXRDBHV-ZRDIBKRKSA-N 0 0 476.899 4.221 50 0 JIAARN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000012863035 195160037 /nfs/dbraw/zinc/16/00/37/195160037.db2.gz SLZFGRMUYPZEOH-AKJBCIBTSA-N 0 0 473.485 4.002 50 0 JIAARN C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000012865815 195161171 /nfs/dbraw/zinc/16/11/71/195161171.db2.gz MYKGGCMFNWZFCE-DLBZAZTESA-N 0 0 454.954 4.102 50 0 JIAARN O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O)NCc1ccccc1 ZINC000020643202 195194220 /nfs/dbraw/zinc/19/42/20/195194220.db2.gz PJWMXFBXGGKQNY-JOCHJYFZSA-N 0 0 472.545 4.424 50 0 JIAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4cccc([C@@H](C)O)c4)c(C)c13)CCC(C)(C)O2 ZINC000012900907 195177405 /nfs/dbraw/zinc/17/74/05/195177405.db2.gz VVCLVLXUSFSNMO-OAHLLOKOSA-N 0 0 451.519 4.448 50 0 biogenic JIAARN C[C@H](Oc1ccccc1F)c1nnc(SCC(=O)NCCOc2ccc(Cl)cc2)o1 ZINC000012901791 195177888 /nfs/dbraw/zinc/17/78/88/195177888.db2.gz DIXCRNCXCBFIBV-ZDUSSCGKSA-N 0 0 451.907 4.289 50 0 JIAARN CCNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000012904799 195179061 /nfs/dbraw/zinc/17/90/61/195179061.db2.gz IWNYERLNJPOFJX-JHMRYYBSSA-N 0 0 469.445 4.082 50 0 JIAARN Cc1sc2ncnc(N[C@H](C)C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)c2c1C ZINC000012907206 195180361 /nfs/dbraw/zinc/18/03/61/195180361.db2.gz WFLKNTXVQHROON-MRXNPFEDSA-N 0 0 451.596 4.051 50 0 JIAARN CCOc1ccccc1-c1nc(C(=O)NCCCN2CCOCC2)cc2c3ccccc3[nH]c21 ZINC000020610374 195183663 /nfs/dbraw/zinc/18/36/63/195183663.db2.gz RHZVNUFTHSVBMQ-UHFFFAOYSA-N 0 0 458.562 4.234 50 0 biogenic JIAARN Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020614579 195186652 /nfs/dbraw/zinc/18/66/52/195186652.db2.gz YPYKTLIYRSRXAV-XMMPIXPASA-N 0 0 461.537 4.156 50 0 JIAARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ncn(Cc4ccc(F)cc4Cl)n3)sc21 ZINC000020616179 195187732 /nfs/dbraw/zinc/18/77/32/195187732.db2.gz OXNBSWHGVZYTRH-UHFFFAOYSA-N 0 0 458.828 4.338 50 0 JIAARN COc1ccccc1C(=O)Nc1ccc(N2CCN(Cc3nc4ccccc4n3C)CC2)cc1 ZINC000020622688 195190234 /nfs/dbraw/zinc/19/02/34/195190234.db2.gz WTLYNIAQJFVVJS-UHFFFAOYSA-N 0 0 455.562 4.156 50 0 JIAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N3CCN(CCc4ccccn4)CC3)c(C)c21 ZINC000020624645 195191165 /nfs/dbraw/zinc/19/11/65/195191165.db2.gz JRYDRMFCVHZTIN-UHFFFAOYSA-N 0 0 473.573 4.097 50 0 JIAARN O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020676460 195201055 /nfs/dbraw/zinc/20/10/55/195201055.db2.gz HRBBXFHEUHOABN-MUUNZHRXSA-N 0 0 499.567 4.419 50 0 JIAARN Cn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000020677430 195202258 /nfs/dbraw/zinc/20/22/58/195202258.db2.gz PRPRIJMSYGYLMZ-UHFFFAOYSA-N 0 0 477.952 4.030 50 0 JIAARN CCCCN(CCCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1)c1ccccc1 ZINC000020682540 195204575 /nfs/dbraw/zinc/20/45/75/195204575.db2.gz VVBIXXXRFWULTP-AREMUKBSSA-N 0 0 473.621 4.217 50 0 JIAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1Cl ZINC000020718933 195206281 /nfs/dbraw/zinc/20/62/81/195206281.db2.gz HWWWGWBRSHKHCZ-PZJWPPBQSA-N 0 0 473.360 4.158 50 0 JIAARN COc1ccc(CN2C(=O)[C@@](NC(=O)c3ccccc3OC)(C(F)(F)F)N=C2c2ccccc2)cc1 ZINC000020808309 195228893 /nfs/dbraw/zinc/22/88/93/195228893.db2.gz PFNNPVAAVFTCCM-RUZDIDTESA-N 0 0 497.473 4.181 50 0 JIAARN CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(O)c2c1 ZINC000020753897 195215433 /nfs/dbraw/zinc/21/54/33/195215433.db2.gz ACGWCEXJPMFYCC-RTBURBONSA-N 0 0 481.618 4.170 50 0 JIAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000020762207 195218632 /nfs/dbraw/zinc/21/86/32/195218632.db2.gz LRCGMGNNTFOCOA-CMDGGOBGSA-N 0 0 471.623 4.121 50 0 JIAARN O=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020767882 195223066 /nfs/dbraw/zinc/22/30/66/195223066.db2.gz GUCPOYZNRFUBRB-UHFFFAOYSA-N 0 0 484.503 4.404 50 0 JIAARN COc1ccc(-c2c3c(c4n2-c2ccccc2N[C@H]4c2ccccc2F)n(C)c(=O)n(C)c3=O)cc1 ZINC000020898618 195240611 /nfs/dbraw/zinc/24/06/11/195240611.db2.gz DGCZRXDCMTYEKP-QHCPKHFHSA-N 0 0 482.515 4.358 50 0 JIAARN CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(OC)c2)c1=O ZINC000020899556 195240849 /nfs/dbraw/zinc/24/08/49/195240849.db2.gz YVZHNNKQFLJNRA-UHFFFAOYSA-N 0 0 456.502 4.059 50 0 JIAARN COc1ccc(-c2noc(-c3cccc(NC(=O)[C@H]4CC(=O)N(CCc5ccccc5)C4)c3)n2)cc1 ZINC000020900057 195241120 /nfs/dbraw/zinc/24/11/20/195241120.db2.gz RHDZJJGCTKGIRP-QFIPXVFZSA-N 0 0 482.540 4.442 50 0 JIAARN C[C@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3cccc(F)c3)c3ccccc32)C[C@H](C)O1 ZINC000020922780 195248329 /nfs/dbraw/zinc/24/83/29/195248329.db2.gz RATWIWSUDDTGOK-IRXDYDNUSA-N 0 0 455.555 4.147 50 0 JIAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3cccc(F)c3)c3ccccc32)C[C@H](C)O1 ZINC000020922768 195248337 /nfs/dbraw/zinc/24/83/37/195248337.db2.gz RATWIWSUDDTGOK-CALCHBBNSA-N 0 0 455.555 4.147 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(OC)cc4)c3[C@H]2c2ccccn2)cc1 ZINC000020855096 195232089 /nfs/dbraw/zinc/23/20/89/195232089.db2.gz UPFMWSPQHYGJOM-XMMPIXPASA-N 0 0 454.486 4.407 50 0 JIAARN CCCc1nn2c(nc(COc3cccc(NC(=O)CSc4ccccc4)c3)cc2=O)s1 ZINC000020859467 195232995 /nfs/dbraw/zinc/23/29/95/195232995.db2.gz IYVDDSLFLPTCNL-UHFFFAOYSA-N 0 0 466.588 4.413 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(C(=O)c3cc4oc5ccccc5c4n3C)CC2)cc1OC 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/nfs/dbraw/zinc/29/18/56/195291856.db2.gz MCKJQSKNUFCBBP-CQSZACIVSA-N 0 0 494.689 4.469 50 0 JIAARN CCCn1c(CSc2nnc3sc4ccccc4n23)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000021258006 195292377 /nfs/dbraw/zinc/29/23/77/195292377.db2.gz FWIGZWMLCPXANR-UHFFFAOYSA-N 0 0 486.648 4.246 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc3ccccc3c2)c2ncnn2[C@@H]1c1ccc(F)cc1 ZINC000021351314 195296577 /nfs/dbraw/zinc/29/65/77/195296577.db2.gz OEVCKQOZYVQJDA-RUZDIDTESA-N 0 0 485.519 4.456 50 0 JIAARN COC(=O)c1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)c(C)c2)cc1 ZINC000021353708 195296970 /nfs/dbraw/zinc/29/69/70/195296970.db2.gz ARQDUUXFQUWDTK-UHFFFAOYSA-N 0 0 458.561 4.229 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccc(Cl)s4)sc3C2)cc1 ZINC000021359094 195298682 /nfs/dbraw/zinc/29/86/82/195298682.db2.gz RRRXOHXQVMEWCM-UHFFFAOYSA-N 0 0 453.998 4.166 50 0 JIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1csc(NCc2ccccc2)n1 ZINC000021377371 195300643 /nfs/dbraw/zinc/30/06/43/195300643.db2.gz LKGWSFPHZXQNBE-UHFFFAOYSA-N 0 0 473.576 4.406 50 0 JIAARN COc1ccc(Br)cc1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1nc(C)cc(C)n1 ZINC000021523801 195303984 /nfs/dbraw/zinc/30/39/84/195303984.db2.gz LFNWLMSZLRIPNQ-SFHVURJKSA-N 0 0 474.384 4.133 50 0 JIAARN Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000021524734 195304499 /nfs/dbraw/zinc/30/44/99/195304499.db2.gz MDSNTEPHJRQUHN-UHFFFAOYSA-N 0 0 454.530 4.440 50 0 JIAARN COc1ccccc1NC(=O)Nc1cc(Cl)ccc1OCc1cc(=O)n2c(ncn2C(C)C)n1 ZINC000021800900 195323105 /nfs/dbraw/zinc/32/31/05/195323105.db2.gz OZIKPIOCUIUAMF-UHFFFAOYSA-N 0 0 482.928 4.357 50 0 JIAARN CC[C@@H](c1nc2c3c(C)c(C)n(-c4cc(C)ccn4)c3ncn2n1)N1C(=O)c2ccccc2C1=O ZINC000021801633 195323207 /nfs/dbraw/zinc/32/32/07/195323207.db2.gz OXBIAZNCVFGIOK-IBGZPJMESA-N 0 0 465.517 4.136 50 0 JIAARN CC(C)n1cnc2nc(COc3ccc(Cl)cc3NC(=O)Nc3ccccc3F)cc(=O)n21 ZINC000021800928 195323233 /nfs/dbraw/zinc/32/32/33/195323233.db2.gz OJPFTGVUDNENRO-UHFFFAOYSA-N 0 0 470.892 4.487 50 0 JIAARN Nc1c(N(CCC2=CCCCC2)C(=O)CCc2ccsc2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000021893025 195327956 /nfs/dbraw/zinc/32/79/56/195327956.db2.gz HSIOOVWZMRGPMA-UHFFFAOYSA-N 0 0 478.618 4.085 50 0 JIAARN CCOCCCNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1ccc(F)cc1F ZINC000021911443 195329907 /nfs/dbraw/zinc/32/99/07/195329907.db2.gz VTCFSTDPXOWTNP-JOCHJYFZSA-N 0 0 473.545 4.179 50 0 JIAARN CC(C)CCNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1ccc2c(c1)OCCO2 ZINC000021911629 195329921 /nfs/dbraw/zinc/32/99/21/195329921.db2.gz FSSORQBIPJWDDH-DEOSSOPVSA-N 0 0 479.602 4.292 50 0 JIAARN CCOCCCNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1Cc1ccc(C)cc1 ZINC000021911491 195329925 /nfs/dbraw/zinc/32/99/25/195329925.db2.gz QNOJNCZFQYKGLS-DEOSSOPVSA-N 0 0 465.619 4.205 50 0 JIAARN CCCCN1C(=O)CSc2c(c3ccccc3n2C)[C@H]1C(=O)NCc1ccccc1OC ZINC000021912201 195330347 /nfs/dbraw/zinc/33/03/47/195330347.db2.gz WNNPKTFYIPIPBB-QHCPKHFHSA-N 0 0 451.592 4.279 50 0 JIAARN CC1=C(c2ccc(C)cc2)S(=O)(=O)N(Cc2ccc(C(=O)NCCc3cccs3)cc2)C1=O ZINC000021913284 195331037 /nfs/dbraw/zinc/33/10/37/195331037.db2.gz SWTTVVGPDQBZKI-UHFFFAOYSA-N 0 0 480.611 4.132 50 0 JIAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSCC(=O)Nc1cccc(C)c1 ZINC000021924275 195334065 /nfs/dbraw/zinc/33/40/65/195334065.db2.gz YGHWYEQYMJCDCO-UHFFFAOYSA-N 0 0 467.513 4.173 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2cncc(C(=O)Nc3ccccc3Br)c2)cc1 ZINC000021931343 195335166 /nfs/dbraw/zinc/33/51/66/195335166.db2.gz GYIZOMHUBQHIHJ-UHFFFAOYSA-N 0 0 460.353 4.230 50 0 JIAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N21)C(=O)Nc1ccc(OC)cc1OC ZINC000021935840 195336372 /nfs/dbraw/zinc/33/63/72/195336372.db2.gz SZFQDFYXTLKINL-NHCUHLMSSA-N 0 0 480.590 4.469 50 0 JIAARN COc1cc(NC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N32)cc(OC)c1 ZINC000021935973 195336528 /nfs/dbraw/zinc/33/65/28/195336528.db2.gz QNNYCKRJTVNWCS-JLTOFOAXSA-N 0 0 466.563 4.079 50 0 JIAARN COc1ccc(NC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@H](CC(C)C)C(=O)N32)cc1 ZINC000021936937 195337035 /nfs/dbraw/zinc/33/70/35/195337035.db2.gz 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O=C(CN1c2cccnc2Oc2ccccc2C1=O)Nc1ccc(Oc2ccc3c(c2)OCO3)nc1 ZINC000096118875 129975965 /nfs/dbraw/zinc/97/59/65/129975965.db2.gz YUCJORMIAZKUHW-UHFFFAOYSA-N 0 0 482.452 4.389 50 0 JIAARN CCOC(=O)c1cc(NC(=O)/C=C\c2ccc(S(=O)(=O)NCc3ccco3)cc2)ccc1Cl ZINC000096130227 129976996 /nfs/dbraw/zinc/97/69/96/129976996.db2.gz QYQNVGCUNLAQKT-GHXNOFRVSA-N 0 0 488.949 4.240 50 0 JIAARN CCOCCOc1nc(-c2ccc(OC)cc2)n(-c2cccc(NC(=O)[C@@]3(Cl)C[C@H]3F)c2)n1 ZINC000096278409 130020264 /nfs/dbraw/zinc/02/02/64/130020264.db2.gz RDJVZXMJMDMQKO-AUSIDOKSSA-N 0 0 474.920 4.016 50 0 JIAARN COCc1nnc(SCc2ccc(C(=O)NCc3ccco3)cc2)n1-c1ccc(OC)cc1 ZINC000096288305 130031983 /nfs/dbraw/zinc/03/19/83/130031983.db2.gz ILRYTRQUPBZGTN-UHFFFAOYSA-N 0 0 464.547 4.238 50 0 JIAARN COCCN(Cc1ccccc1OS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)c1cccc(F)c1 ZINC000096288602 130033014 /nfs/dbraw/zinc/03/30/14/130033014.db2.gz ADUZYUWXSQXBEE-UHFFFAOYSA-N 0 0 491.512 4.030 50 0 JIAARN COCCn1c(SCc2ccc(C(=O)N3CCOCC3)cc2)nnc1-c1ccccc1Cl ZINC000096290682 130040887 /nfs/dbraw/zinc/04/08/87/130040887.db2.gz CDHDYHGHCOZCAE-UHFFFAOYSA-N 0 0 472.998 4.010 50 0 JIAARN COCCN(CCc1nc(-c2ccc(Br)cc2)no1)C(=O)CCc1ccccc1 ZINC000096293810 130048190 /nfs/dbraw/zinc/04/81/90/130048190.db2.gz IWNIGFIUXRTNDS-UHFFFAOYSA-N 0 0 458.356 4.149 50 0 JIAARN O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000096305643 130055153 /nfs/dbraw/zinc/05/51/53/130055153.db2.gz VDZQYMMMUFZKNI-UHFFFAOYSA-N 0 0 492.570 4.119 50 0 JIAARN CN(C)S(=O)(=O)c1cccc(C2=N/C(=C\c3sc(Oc4ccccc4)nc3Cl)C(=O)O2)c1 ZINC000096310825 130057980 /nfs/dbraw/zinc/05/79/80/130057980.db2.gz VUXNACVMCDUSLF-VBKFSLOCSA-N 0 0 489.962 4.184 50 0 JIAARN CCc1nc(-c2ccccc2)nc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)c1Cc1ccc(F)cc1 ZINC000096316750 130059545 /nfs/dbraw/zinc/05/95/45/130059545.db2.gz SHZGFXFLOYPHTR-JOCHJYFZSA-N 0 0 474.580 4.121 50 0 JIAARN Cc1ccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C(=O)[C@@H]3CCOC3)CC2)cc1 ZINC000096317242 130060950 /nfs/dbraw/zinc/06/09/50/130060950.db2.gz 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520104763 /nfs/dbraw/zinc/10/47/63/520104763.db2.gz JVTMYOQSBZXZSJ-HSZRJFAPSA-N 0 0 490.622 4.494 50 0 JIAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000012482621 520352215 /nfs/dbraw/zinc/35/22/15/520352215.db2.gz JMCSNTWYOZGQRG-UHFFFAOYSA-N 0 0 498.432 4.269 50 0 JIAARN CCNc1nc(C(N)=O)c(NC(=O)c2cc(-c3ccccn3)nc3ccc(Br)cc32)s1 ZINC000033268492 520353733 /nfs/dbraw/zinc/35/37/33/520353733.db2.gz STSYMNZJZFUICZ-UHFFFAOYSA-N 0 0 497.378 4.299 50 0 JIAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000016557245 520359494 /nfs/dbraw/zinc/35/94/94/520359494.db2.gz VCWDBXZQLCMWAA-UHFFFAOYSA-N 0 0 451.354 4.159 50 0 JIAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2cnn(C)c2C)cc1 ZINC000013958036 520391085 /nfs/dbraw/zinc/39/10/85/520391085.db2.gz FZLBZNBCJGIBQF-QHCPKHFHSA-N 0 0 491.617 4.048 50 0 JIAARN CCCCN(C)C(=O)c1cn(Cc2cccc(OC)c2)cc(C(=O)N2CCCC[C@H]2CC)c1=O ZINC000012206090 520395112 /nfs/dbraw/zinc/39/51/12/520395112.db2.gz 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CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1ccc(OCC)c(Br)c1 ZINC000002818510 520540420 /nfs/dbraw/zinc/54/04/20/520540420.db2.gz NLXGCRYLXRRJJU-LJQANCHMSA-N 0 0 461.381 4.341 50 0 JIAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N(C)Cc2ccccc2)s1 ZINC000008610553 520544908 /nfs/dbraw/zinc/54/49/08/520544908.db2.gz AZQGWQKXMKKUCH-UHFFFAOYSA-N 0 0 464.634 4.104 50 0 JIAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccccc2)s1 ZINC000008610213 520545783 /nfs/dbraw/zinc/54/57/83/520545783.db2.gz XDLWLXLYIOWDMP-UHFFFAOYSA-N 0 0 450.607 4.080 50 0 JIAARN CC1(C)C[C@@](CCNC(=O)CC[C@@]2(Cc3ccco3)CCC(=O)N2)(c2ccccc2)CCO1 ZINC000014991666 520545877 /nfs/dbraw/zinc/54/58/77/520545877.db2.gz RYSLLPDDQXLPGX-SVBPBHIXSA-N 0 0 452.595 4.284 50 0 JIAARN CCCS(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000020443525 520547030 /nfs/dbraw/zinc/54/70/30/520547030.db2.gz BRFIIVHQAOKZPQ-UHFFFAOYSA-N 0 0 488.356 4.260 50 0 JIAARN CCN(CC)C(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)c(C(=O)OC(C)C)c1C ZINC000001217677 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CCOc1cc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2Cl)n3C)ccc1O ZINC000009249753 520783658 /nfs/dbraw/zinc/78/36/58/520783658.db2.gz LKOLMFKCEHICGA-OAHLLOKOSA-N 0 0 471.966 4.304 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](c2nc3ccccc3n2C)c2ccccc2)c1 ZINC000048312191 520796628 /nfs/dbraw/zinc/79/66/28/520796628.db2.gz NWNCHVZMROGLOO-XMMPIXPASA-N 0 0 494.592 4.262 50 0 JIAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(C(F)(F)F)c4)ccn3n2)cc1 ZINC000012414474 520806753 /nfs/dbraw/zinc/80/67/53/520806753.db2.gz WFGXEPAYVXQEEL-UHFFFAOYSA-N 0 0 456.424 4.219 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CCS2 ZINC000064965451 520811528 /nfs/dbraw/zinc/81/15/28/520811528.db2.gz XOFGCEOGLJUHSX-UHFFFAOYSA-N 0 0 496.054 4.146 50 0 JIAARN CCOc1ccc(-c2csc3c2nc(N2CCN(c4ccccn4)CC2)[nH]c3=O)cc1OCC ZINC000048989287 520813739 /nfs/dbraw/zinc/81/37/39/520813739.db2.gz LHJRONQESADMQK-UHFFFAOYSA-N 0 0 477.590 4.171 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCc1ccc(C)cc1)n2CC 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CCOc1ccc(CC(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)o2)cc1OCC ZINC000033290915 520941190 /nfs/dbraw/zinc/94/11/90/520941190.db2.gz PZKGRPUFRMSOAQ-INIZCTEOSA-N 0 0 484.940 4.222 50 0 JIAARN CCOc1ccc(CNC(=O)C2CCN(c3ncnc4onc(-c5cccc(F)c5)c43)CC2)cc1 ZINC000033085058 520982282 /nfs/dbraw/zinc/98/22/82/520982282.db2.gz NEDSJUMPOOLRSE-UHFFFAOYSA-N 0 0 475.524 4.355 50 0 JIAARN CCOc1ccc(CNC(=O)CCCn2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)cc1 ZINC000008593565 520984444 /nfs/dbraw/zinc/98/44/44/520984444.db2.gz HRABQUZHNFLJEK-UHFFFAOYSA-N 0 0 473.577 4.003 50 0 JIAARN CCOc1ccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1OCC ZINC000033252269 520984477 /nfs/dbraw/zinc/98/44/77/520984477.db2.gz WOUWXDZITBJTTQ-UHFFFAOYSA-N 0 0 469.607 4.300 50 0 JIAARN CCOc1ccc(CNC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000033128244 520991832 /nfs/dbraw/zinc/99/18/32/520991832.db2.gz LWKCOWIPYIZHDH-MRXNPFEDSA-N 0 0 457.983 4.390 50 0 JIAARN CCOC(=O)Nc1cccc(C(=O)NCCN2C(=O)SC(=Cc3ccc(Cl)cc3)C2=O)c1 ZINC000017263044 520995431 /nfs/dbraw/zinc/99/54/31/520995431.db2.gz ATSIJXYAYBDZHN-PDGQHHTCSA-N 0 0 473.938 4.375 50 0 JIAARN CC1CCN(c2c(=O)c(=O)c2NCc2ccc(C(=O)N3CC=C(c4ccccc4)CC3)cc2)CC1 ZINC000020414704 521036257 /nfs/dbraw/zinc/03/62/57/521036257.db2.gz WPRASSWIJXJIKP-UHFFFAOYSA-N 0 0 469.585 4.061 50 0 JIAARN CC1CCN(c2ccc(-c3noc(C(=O)N4CCN(C(=O)c5ccc6cc[nH]c6c5)CC4)n3)cc2)CC1 ZINC000035457385 521038949 /nfs/dbraw/zinc/03/89/49/521038949.db2.gz WJQJNTXMDJFVOH-UHFFFAOYSA-N 0 0 498.587 4.052 50 0 JIAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCC(C)C)cc1 ZINC000020176657 521072252 /nfs/dbraw/zinc/07/22/52/521072252.db2.gz PKZPBKBIFBLPNY-QFIPXVFZSA-N 0 0 453.539 4.306 50 0 JIAARN CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(OC)ccc32)cc1 ZINC000002688511 521075725 /nfs/dbraw/zinc/07/57/25/521075725.db2.gz RAIZNONTRFDJMM-UHFFFAOYSA-N 0 0 474.488 4.418 50 0 JIAARN CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCc3ccc(C)cc3)c3ccccc32)cc1 ZINC000064971646 521080034 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Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C)C(C)C)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036210819 525057764 /nfs/dbraw/zinc/05/77/64/525057764.db2.gz ZCMMCVDTBMXNEY-PXDATVDWSA-N 0 0 463.622 4.115 50 0 JIAARN COc1ccc(S(=O)(=O)NCc2nc(NCc3ccccc3F)c3cccc(C)c3n2)cc1OC ZINC000012333309 525069186 /nfs/dbraw/zinc/06/91/86/525069186.db2.gz NBIZLTLKRGIYFG-UHFFFAOYSA-N 0 0 496.564 4.185 50 0 JIAARN Cc1ccc(NC(=O)CSc2nc3c4cccnc4sc3c(=O)n2C[C@@H]2CCCO2)cc1F ZINC000045922430 525077721 /nfs/dbraw/zinc/07/77/21/525077721.db2.gz DOSXYBRUKLMHCT-HNNXBMFYSA-N 0 0 484.578 4.364 50 0 JIAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)N3CCN(c4ccccc4)CC3)cs2)cc1 ZINC000008852697 525079298 /nfs/dbraw/zinc/07/92/98/525079298.db2.gz CDZFWWVNDPPQKN-UHFFFAOYSA-N 0 0 466.632 4.074 50 0 JIAARN Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Cl)s3)c(N)n2)cc1Cl ZINC000045925071 525081852 /nfs/dbraw/zinc/08/18/52/525081852.db2.gz XLNNIIDUXDNGHL-UHFFFAOYSA-N 0 0 489.431 4.299 50 0 JIAARN Cc1ccc(NC(=O)C[C@@H]2SC3=NCN(c4cccc(Br)c4)CN3C2=O)c(C)c1 ZINC000072333642 525090054 /nfs/dbraw/zinc/09/00/54/525090054.db2.gz ATEYWZDJNRNSAY-SFHVURJKSA-N 0 0 473.396 4.130 50 0 JIAARN Cc1ccc(NC(=O)Cc2nc(CN3CCN(CC(=O)Nc4ccccc4Cl)CC3)cs2)cc1 ZINC000022791881 525097016 /nfs/dbraw/zinc/09/70/16/525097016.db2.gz SGNXPJNZQHYBFU-UHFFFAOYSA-N 0 0 498.052 4.042 50 0 JIAARN Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCc3ccccc3C2)c2ccccc2n1 ZINC000022766833 525109032 /nfs/dbraw/zinc/10/90/32/525109032.db2.gz QYIJKVMAGXFBPW-VWLOTQADSA-N 0 0 470.598 4.459 50 0 JIAARN Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCc3ccc(OC(C)C)cc3)c3ccccc32)cc1 ZINC000064971509 525118439 /nfs/dbraw/zinc/11/84/39/525118439.db2.gz JGDJPVOVVGDIJQ-UHFFFAOYSA-N 0 0 486.572 4.484 50 0 JIAARN COc1ccc([C@@H](C)N(C)Cc2nc3c(C)cccc3c(N3CCCN(C(C)=O)CC3)n2)cc1 ZINC000012244816 525130141 /nfs/dbraw/zinc/13/01/41/525130141.db2.gz AMOYLEUUQMOLFU-HXUWFJFHSA-N 0 0 461.610 4.198 50 0 JIAARN Cc1ccc(NC(=O)N2CCN(Cc3nc4cc(C(=O)NC(C)C)ccc4n3C)CC2)cc1Cl ZINC000033275789 525133745 /nfs/dbraw/zinc/13/37/45/525133745.db2.gz FKPROTSNOMRDDT-UHFFFAOYSA-N 0 0 483.016 4.023 50 0 JIAARN Cc1ccccc1CNC(=O)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 ZINC000033260183 525148649 /nfs/dbraw/zinc/14/86/49/525148649.db2.gz DYCPVGPEAPJBDM-UHFFFAOYSA-N 0 0 460.969 4.286 50 0 JIAARN Cc1cc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)ccc1Br ZINC000012415855 525165888 /nfs/dbraw/zinc/16/58/88/525165888.db2.gz SGDLUHYQMMZKOV-UHFFFAOYSA-N 0 0 489.391 4.008 50 0 JIAARN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)ccc21 ZINC000027276478 525173406 /nfs/dbraw/zinc/17/34/06/525173406.db2.gz LEGVQKAVLBTLJM-UHFFFAOYSA-N 0 0 454.523 4.369 50 0 JIAARN CS(=O)(=O)N1CC[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)Oc2ccc(Cl)cc21 ZINC000038833126 525178064 /nfs/dbraw/zinc/17/80/64/525178064.db2.gz IDTATWGSJISMAE-DEOSSOPVSA-N 0 0 485.005 4.486 50 0 JIAARN COc1ccc([C@@H](CNC(=O)c2sc(-c3ccc(F)cc3)nc2C)N2CCOCC2)cc1 ZINC000018228051 525187478 /nfs/dbraw/zinc/18/74/78/525187478.db2.gz GQZSFKKEJSSKSA-OAQYLSRUSA-N 0 0 455.555 4.070 50 0 JIAARN Cc1ccccc1C[C@@H](C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)N(C)C(=O)Cn1cccn1 ZINC000012198759 525191858 /nfs/dbraw/zinc/19/18/58/525191858.db2.gz LVOYZOOAMHDDIZ-MHZLTWQESA-N 0 0 483.616 4.295 50 0 JIAARN C[C@]1(C(=O)NC2CCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1cccc(Br)c1 ZINC000021861962 525198393 /nfs/dbraw/zinc/19/83/93/525198393.db2.gz CFGKBIFDSOQVGD-XMMPIXPASA-N 0 0 481.394 4.272 50 0 JIAARN C[C@H](NC(=O)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)cc1)c1ccc(F)cc1 ZINC000035458316 525211001 /nfs/dbraw/zinc/21/10/01/525211001.db2.gz BFRSTKFNMBCMIJ-BVZFJXPGSA-N 0 0 471.532 4.468 50 0 JIAARN COc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4cccs4)nn32)cc1OC ZINC000012469407 525216604 /nfs/dbraw/zinc/21/66/04/525216604.db2.gz FHDDMBDVDYCNFN-OAQYLSRUSA-N 0 0 474.546 4.346 50 0 JIAARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)COc3ccc(OCc4ccccc4)cc3)C2)nc1 ZINC000040145921 525220988 /nfs/dbraw/zinc/22/09/88/525220988.db2.gz SWGMWBTVWGVHTG-QFIPXVFZSA-N 0 0 459.546 4.225 50 0 JIAARN Cc1cc(NC(=O)[C@H](C)Sc2nnc(COc3ccccc3F)n2-c2ccccc2)on1 ZINC000010645861 525229683 /nfs/dbraw/zinc/22/96/83/525229683.db2.gz VWLONTGMCGTANX-HNNXBMFYSA-N 0 0 453.499 4.401 50 0 JIAARN Cc1ccc(NC(=O)c2ccc3oc(=O)n(CC(=O)N4CCN(c5cccc(C)c5C)CC4)c3c2)cc1 ZINC000033307462 525243495 /nfs/dbraw/zinc/24/34/95/525243495.db2.gz ZRABBNAPHHIKBM-UHFFFAOYSA-N 0 0 498.583 4.121 50 0 JIAARN Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)n(-c2nc3ccccc3s2)n1 ZINC000021684485 525248077 /nfs/dbraw/zinc/24/80/77/525248077.db2.gz XYKTYKAPEAPJLV-MRXNPFEDSA-N 0 0 495.630 4.463 50 0 JIAARN Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n(-c2nc3c(cc(C)cc3C)s2)n1 ZINC000021686677 525248421 /nfs/dbraw/zinc/24/84/21/525248421.db2.gz FEOPSGFCNPAYAF-UHFFFAOYSA-N 0 0 495.630 4.444 50 0 JIAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(=O)c4cc(Cl)cc(Cl)c4o3)sc2c1 ZINC000027756199 525266629 /nfs/dbraw/zinc/26/66/29/525266629.db2.gz CXQMPYFMRYHIIF-UHFFFAOYSA-N 0 0 469.327 4.365 50 0 JIAARN COc1ccc([C@H](C)N(C)C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(Cc3cccnc3)C2=O)cc1 ZINC000012245217 525297516 /nfs/dbraw/zinc/29/75/16/525297516.db2.gz YTIUWHFYBVXJEG-VKGTZQKMSA-N 0 0 489.547 4.036 50 0 JIAARN Cc1ccccc1OC[C@@H](O)CN(CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000036159975 525308406 /nfs/dbraw/zinc/30/84/06/525308406.db2.gz XEIBQANRKFQIIM-SFHVURJKSA-N 0 0 455.624 4.070 50 0 JIAARN Cc1ccccc1S(=O)(=O)c1cc2cc(Br)cc(Br)c2nc1N ZINC000020366293 525336207 /nfs/dbraw/zinc/33/62/07/525336207.db2.gz HPUXVTVPVRQEHX-UHFFFAOYSA-N 0 0 456.159 4.483 50 0 JIAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1)c1ccc(-n2ccnc2)cc1 ZINC000009378333 525345622 /nfs/dbraw/zinc/34/56/22/525345622.db2.gz XHHIYUSRWDWMEZ-UXHICEINSA-N 0 0 474.586 4.403 50 0 JIAARN C[C@@H]1C[C@H](C)CN(C(=S)SCC(=O)Nc2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)C1 ZINC000002414988 525380664 /nfs/dbraw/zinc/38/06/64/525380664.db2.gz IJLJBGRTNQEFOG-SOLBZPMBSA-N 0 0 468.648 4.324 50 0 JIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4o3)cc2)C1 ZINC000016043957 525387635 /nfs/dbraw/zinc/38/76/35/525387635.db2.gz MHNAAZVURJCBMM-IYBDPMFKSA-N 0 0 459.593 4.225 50 0 JIAARN Cc1ccc(OCC(=O)Nc2ccc(SCc3cc(=O)n4c(ncn4C(C)C)n3)cc2)cc1 ZINC000021797670 525395370 /nfs/dbraw/zinc/39/53/70/525395370.db2.gz FDUHIOHDROXSFI-UHFFFAOYSA-N 0 0 463.563 4.090 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)/C=C\c2ccc(O)c(OC)c2)cc1 ZINC000033562876 525406589 /nfs/dbraw/zinc/40/65/89/525406589.db2.gz ZODULVRNJSKRQD-GMLVJLLBSA-N 0 0 486.524 4.344 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnc3nc(C)cc(C)n32)cc1 ZINC000033454147 525407462 /nfs/dbraw/zinc/40/74/62/525407462.db2.gz DATMGSIKFJSZMM-JOCHJYFZSA-N 0 0 472.574 4.220 50 0 JIAARN Cc1[nH]c(C(=O)N2CCC(CC(=O)NCc3ccc(Cl)cc3)CC2)c(C)c1C(=O)OC(C)C ZINC000035484116 525411574 /nfs/dbraw/zinc/41/15/74/525411574.db2.gz REFNIKQZENQPDF-UHFFFAOYSA-N 0 0 474.001 4.409 50 0 JIAARN COc1ccc([C@H]2CN(C(=O)c3ccc(Cl)cc3Cl)C[C@H]2C(=O)N2CCCC2)c(OC)c1 ZINC000036062229 525419412 /nfs/dbraw/zinc/41/94/12/525419412.db2.gz KZKXMEBRBJWTTM-WOJBJXKFSA-N 0 0 477.388 4.489 50 0 JIAARN COc1ccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036062026 525419422 /nfs/dbraw/zinc/41/94/22/525419422.db2.gz RESOTJGZJYXCPT-FGZHOGPDSA-N 0 0 458.986 4.375 50 0 JIAARN COc1ccc([C@H]2OC(=O)/C(=C3/OC(=O)c4ccccc43)c3cc(OC)c(OC)cc32)cc1OC ZINC000012296305 525432969 /nfs/dbraw/zinc/43/29/69/525432969.db2.gz PZSAMEADTHHWPZ-SBXHHDGASA-N 0 0 474.465 4.406 50 0 biogenic JIAARN Cc1cc(SCC(=O)Nc2ccc(Br)cc2)nc2ccc(S(=O)(=O)N(C)C)cc12 ZINC000033087800 525433224 /nfs/dbraw/zinc/43/32/24/525433224.db2.gz NCAOWYAHXCVXRR-UHFFFAOYSA-N 0 0 494.436 4.287 50 0 JIAARN Cc1ccc(OCc2nc(C(=O)NCCNC(=O)c3ccc(C(C)(C)C)cc3)cs2)cc1 ZINC000034905215 525448237 /nfs/dbraw/zinc/44/82/37/525448237.db2.gz YPQBSNMCBMCWNC-UHFFFAOYSA-N 0 0 451.592 4.488 50 0 JIAARN Cc1nc2[nH]c(NCc3cccs3)nn2c(=O)c1CCC(=O)Nc1ccc2ccccc2c1 ZINC000021804437 525450609 /nfs/dbraw/zinc/45/06/09/525450609.db2.gz ZRLBJROCCDZFAT-UHFFFAOYSA-N 0 0 458.547 4.124 50 0 JIAARN COc1ccc2[nH]c(C(=O)NCc3ccc(OC)c(OC)c3)c(NC(=O)c3ccccc3)c2c1 ZINC000033252547 525478589 /nfs/dbraw/zinc/47/85/89/525478589.db2.gz RAIIRNQRPYUEEK-UHFFFAOYSA-N 0 0 459.502 4.376 50 0 JIAARN Cc1ccc(S(=O)(=O)CCC(=O)N2CC3(CCCC3)c3cc4c(cc3[C@H]2C)OCCO4)cc1 ZINC000024749221 525486985 /nfs/dbraw/zinc/48/69/85/525486985.db2.gz RZIZXFOPQIOFJJ-LJQANCHMSA-N 0 0 469.603 4.345 50 0 JIAARN COc1ccc2c(CC(=O)Nc3ccccc3C(=O)NCc3ccc4c(c3)OCO4)coc2c1 ZINC000016045844 525500825 /nfs/dbraw/zinc/50/08/25/525500825.db2.gz POJDJLWLFFKOFM-UHFFFAOYSA-N 0 0 458.470 4.281 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)CC2)cc1C ZINC000040556195 525521340 /nfs/dbraw/zinc/52/13/40/525521340.db2.gz LDLJSLJBXIDEJW-QHCPKHFHSA-N 0 0 468.623 4.094 50 0 JIAARN C[C@@H]1Cc2cc(S(=O)(=O)CCC(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2N1C(=O)C1CC1 ZINC000008592657 525522897 /nfs/dbraw/zinc/52/28/97/525522897.db2.gz HNZAPPRVNSLMNQ-CQSZACIVSA-N 0 0 496.507 4.075 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccccc3F)s2)cc1C ZINC000064941816 525533520 /nfs/dbraw/zinc/53/35/20/525533520.db2.gz PRZJQTYYKOQOFP-GOSISDBHSA-N 0 0 460.556 4.072 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)cc1C ZINC000046124411 525534936 /nfs/dbraw/zinc/53/49/36/525534936.db2.gz VLXRGHVHDPLIIZ-INIZCTEOSA-N 0 0 474.583 4.115 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccccc3F)s2)c(C)c1 ZINC000064941812 525537327 /nfs/dbraw/zinc/53/73/27/525537327.db2.gz IDFJHHBBYVRZNP-KRWDZBQOSA-N 0 0 460.556 4.072 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3c(c(COCc4ccc(Cl)cc4)nn3C)C2)c(C)c1 ZINC000033282762 525552268 /nfs/dbraw/zinc/55/22/68/525552268.db2.gz AXRUDJUPZYIMPW-UHFFFAOYSA-N 0 0 459.999 4.154 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)ccc32)cc1C 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ZINC000000852380 553798573 /nfs/dbraw/zinc/79/85/73/553798573.db2.gz LFPYUZZNQUMRID-OAHLLOKOSA-N 0 0 453.745 4.106 50 0 JIAARN COc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCCCCC4)c3n2)cc(OC)c1OC ZINC000000862896 553802969 /nfs/dbraw/zinc/80/29/69/553802969.db2.gz UFMHYTUAKUPDRG-UHFFFAOYSA-N 0 0 478.471 4.457 50 0 JIAARN COc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000000871618 553810042 /nfs/dbraw/zinc/81/00/42/553810042.db2.gz ZURQAMDFPZPXRI-UHFFFAOYSA-N 0 0 460.939 4.191 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000000899888 553833648 /nfs/dbraw/zinc/83/36/48/553833648.db2.gz CSNLBDDICPRDCN-NRFANRHFSA-N 0 0 485.585 4.338 50 0 JIAARN CCOC(=O)[C@@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(OC)cc1 ZINC000000907114 553839382 /nfs/dbraw/zinc/83/93/82/553839382.db2.gz KFTIBKFPTKPMMM-OAHLLOKOSA-N 0 0 459.597 4.019 50 0 JIAARN Cc1nn(C)cc1CN(C)C(=O)CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1 ZINC000000920149 553852568 /nfs/dbraw/zinc/85/25/68/553852568.db2.gz CZISTWUYSXKOMW-UHFFFAOYSA-N 0 0 493.511 4.074 50 0 JIAARN CCn1ncc(CNC(=O)CCSc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)c1C ZINC000000920541 553853244 /nfs/dbraw/zinc/85/32/44/553853244.db2.gz IKNIZYLHZGYLJX-UHFFFAOYSA-N 0 0 479.528 4.494 50 0 JIAARN O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000941742 553877293 /nfs/dbraw/zinc/87/72/93/553877293.db2.gz WKFCKQBQTMRPKH-OAQYLSRUSA-N 0 0 497.334 4.383 50 0 JIAARN COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)sc2c1CCC2 ZINC000000944148 553878338 /nfs/dbraw/zinc/87/83/38/553878338.db2.gz GICGIFFMMGVQKU-UHFFFAOYSA-N 0 0 470.341 4.064 50 0 JIAARN Cc1sc2nc(SCC(=O)N3CCOCC3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 ZINC000000950095 553880790 /nfs/dbraw/zinc/88/07/90/553880790.db2.gz MRCHCUSUCZHBOY-UHFFFAOYSA-N 0 0 477.611 4.374 50 0 JIAARN COC(=O)c1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)cc1 ZINC000000960044 553886708 /nfs/dbraw/zinc/88/67/08/553886708.db2.gz SOTICQMTINROSO-UHFFFAOYSA-N 0 0 489.915 4.157 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCC3)cc2)cc1 ZINC000000983108 553892035 /nfs/dbraw/zinc/89/20/35/553892035.db2.gz NTQKCBWREMZUDV-UHFFFAOYSA-N 0 0 477.586 4.308 50 0 JIAARN COc1cccc(/N=c2\oc3c(Br)cc(Br)cc3cc2C(N)=O)c1 ZINC000000984944 553892824 /nfs/dbraw/zinc/89/28/24/553892824.db2.gz DJTZKNUEZFEIHS-FXBPSFAMSA-N 0 0 452.102 4.298 50 0 JIAARN CCSc1nnc2c(n1)O[C@@]1(Nc3ccccc3-2)C(=O)Nc2ccc(Br)cc21 ZINC000000993569 553896621 /nfs/dbraw/zinc/89/66/21/553896621.db2.gz POUAHLOWUPJUPS-LJQANCHMSA-N 0 0 456.325 4.023 50 0 biogenic JIAARN CN[C@@H](c1nnnn1[C@@H]([C@H](Oc1ccc(Cl)cc1)n1cncn1)C(C)(C)C)c1ccccc1 ZINC000001030849 553901142 /nfs/dbraw/zinc/90/11/42/553901142.db2.gz JLBCMYPLTXAQDT-URVUXULASA-N 0 0 466.977 4.092 50 0 JIAARN O=C(NCCc1ccccc1)c1c2c(sc1NC(=O)[C@@H]1COc3ccccc3O1)CCCC2 ZINC000001099086 553907346 /nfs/dbraw/zinc/90/73/46/553907346.db2.gz JCCREZATSIVUDT-NRFANRHFSA-N 0 0 462.571 4.378 50 0 JIAARN COc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000001171421 553922958 /nfs/dbraw/zinc/92/29/58/553922958.db2.gz OZWZBKFQWYGXME-UHFFFAOYSA-N 0 0 458.967 4.169 50 0 JIAARN CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O ZINC000001917066 554004133 /nfs/dbraw/zinc/00/41/33/554004133.db2.gz SLKWZOGOFYBHQP-OAQYLSRUSA-N 0 0 450.535 4.004 50 0 JIAARN O=C(COC(=O)CN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)Nc1ccccc1F ZINC000001917116 554004167 /nfs/dbraw/zinc/00/41/67/554004167.db2.gz UPNDBJLPPIZHPC-UHFFFAOYSA-N 0 0 494.089 4.217 50 0 JIAARN O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1cc(Cl)ccc1Cl ZINC000001943894 554005257 /nfs/dbraw/zinc/00/52/57/554005257.db2.gz APJSIWCKUASXLU-UHFFFAOYSA-N 0 0 450.105 4.212 50 0 JIAARN CSCC[C@H](C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000002064695 554019647 /nfs/dbraw/zinc/01/96/47/554019647.db2.gz MYCVHQVOZTVKCF-HSZRJFAPSA-N 0 0 473.550 4.497 50 0 JIAARN CCc1nnc(NC(=O)CSc2nnc(CNc3ccc(C)c(Cl)c3)n2CC)s1 ZINC000002074253 554023892 /nfs/dbraw/zinc/02/38/92/554023892.db2.gz VUTXHXACKCWJMH-UHFFFAOYSA-N 0 0 452.009 4.017 50 0 JIAARN CCCSc1nnc2c(n1)O[C@H](c1ccccc1OC(C)=O)N(C(C)=O)c1ccccc1-2 ZINC000002087070 554032580 /nfs/dbraw/zinc/03/25/80/554032580.db2.gz XEPXOWICMRPZIB-JOCHJYFZSA-N 0 0 450.520 4.410 50 0 JIAARN CCCCOc1c(I)cc(/C=C2/N=C(c3ccco3)OC2=O)cc1OC ZINC000002087343 554032821 /nfs/dbraw/zinc/03/28/21/554032821.db2.gz XLHLJIQZFNQDOH-GXDHUFHOSA-N 0 0 467.259 4.416 50 0 JIAARN CCCCOCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(C)c2)C1=O ZINC000002098574 554041721 /nfs/dbraw/zinc/04/17/21/554041721.db2.gz PQCSDZNPLXXHRQ-IGKIAQTJSA-N 0 0 459.590 4.368 50 0 biogenic JIAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3cccc(F)c3)CC(=O)N21 ZINC000002108385 554048277 /nfs/dbraw/zinc/04/82/77/554048277.db2.gz WXLFYVFWLFDABF-CUBQBAPOSA-N 0 0 483.543 4.243 50 0 biogenic JIAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3ccccc3)CC(=O)N12 ZINC000002111436 554050314 /nfs/dbraw/zinc/05/03/14/554050314.db2.gz DNCAGAMIBRLDMV-RBJSKKJNSA-N 0 0 465.553 4.104 50 0 biogenic JIAARN CCOCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(Br)cc2)C1=O ZINC000002111958 554050478 /nfs/dbraw/zinc/05/04/78/554050478.db2.gz HYYIFOIESJJIJW-URXFXBBRSA-N 0 0 496.405 4.042 50 0 biogenic JIAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N23)cc1OC ZINC000002123587 554057436 /nfs/dbraw/zinc/05/74/36/554057436.db2.gz MNRHCCKAGSSPIQ-WXVAWEFUSA-N 0 0 485.540 4.053 50 0 biogenic JIAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 ZINC000002147042 554067021 /nfs/dbraw/zinc/06/70/21/554067021.db2.gz VKXHEBAXIVIVBZ-WAIKUNEKSA-N 0 0 471.575 4.325 50 0 JIAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1 ZINC000002151867 554070255 /nfs/dbraw/zinc/07/02/55/554070255.db2.gz GQADJEOUCQOSLA-IVZQSRNASA-N 0 0 457.548 4.017 50 0 JIAARN COc1cccc(/C=C/[C@]23NC(=O)CCN2c2ccc(Br)cc2C3(C)C)c1OC ZINC000002159157 554073786 /nfs/dbraw/zinc/07/37/86/554073786.db2.gz AQXGGGVQIRDVHM-XDQZKXAQSA-N 0 0 457.368 4.494 50 0 biogenic JIAARN COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5cccs5)c(=O)n42)c2ccccc2CC3)c1OC ZINC000002178524 554078516 /nfs/dbraw/zinc/07/85/16/554078516.db2.gz JMAKJOOKOWISIF-FCKOQQNDSA-N 0 0 486.618 4.397 50 0 JIAARN O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C(=O)N1Cc1ccccc1 ZINC000002200348 554091004 /nfs/dbraw/zinc/09/10/04/554091004.db2.gz BEXWSKNRHHXTRK-CUBQBAPOSA-N 0 0 466.541 4.043 50 0 aggregator JIAARN CCOC(=O)c1oc2cc(OC(=O)N3CCOCC3)ccc2c(=O)c1-c1nc2ccccc2s1 ZINC000002203904 554092202 /nfs/dbraw/zinc/09/22/02/554092202.db2.gz XNNOLLQGCBVFBO-UHFFFAOYSA-N 0 0 480.498 4.077 50 0 JIAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cc(OC)ccc2OC)s1 ZINC000002345619 554158666 /nfs/dbraw/zinc/15/86/66/554158666.db2.gz KZYVRLDEHOEYFJ-FQEVSTJZSA-N 0 0 463.515 4.282 50 0 JIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)o1 ZINC000002354849 554163407 /nfs/dbraw/zinc/16/34/07/554163407.db2.gz FNPSGKUMSCZNTN-UHFFFAOYSA-N 0 0 493.636 4.355 50 0 JIAARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(S(N)(=O)=O)cc4)c23)cc1 ZINC000002355906 554163954 /nfs/dbraw/zinc/16/39/54/554163954.db2.gz YYYGKCVEKHYCDT-UHFFFAOYSA-N 0 0 470.601 4.045 50 0 JIAARN COc1ccc(CCn2c(N)c(C(=O)NCc3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000002357550 554164270 /nfs/dbraw/zinc/16/42/70/554164270.db2.gz AMOHBIPKYCEKHM-UHFFFAOYSA-N 0 0 469.520 4.487 50 0 JIAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(Br)cc2)CCO1 ZINC000002369132 554169360 /nfs/dbraw/zinc/16/93/60/554169360.db2.gz LAEZQJWZUHSRKV-XJKSGUPXSA-N 0 0 452.374 4.256 50 0 JIAARN CSc1nc2sc3c(c2c2nnc(SCC(=O)N[C@H](C)Cc4ccccc4)n21)CCC3 ZINC000002374772 554172794 /nfs/dbraw/zinc/17/27/94/554172794.db2.gz DRMGYPQZSCNDIY-CYBMUJFWSA-N 0 0 469.661 4.389 50 0 JIAARN COc1ccccc1-c1nc2s/c(=C\c3ccc(-c4cccc(Br)c4)o3)c(=O)n2n1 ZINC000002394648 554181586 /nfs/dbraw/zinc/18/15/86/554181586.db2.gz XWMALEWGSUFTFJ-UNOMPAQXSA-N 0 0 480.343 4.397 50 0 JIAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(OC)c(OC)c2)s1 ZINC000002400853 554185763 /nfs/dbraw/zinc/18/57/63/554185763.db2.gz AQZISYDHGSRDMC-FQEVSTJZSA-N 0 0 463.515 4.282 50 0 JIAARN COc1ccc(S(=O)(=O)c2c(N)n(Cc3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000002405453 554188352 /nfs/dbraw/zinc/18/83/52/554188352.db2.gz QRKPSYJWBOMCGF-UHFFFAOYSA-N 0 0 462.506 4.196 50 0 JIAARN Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2 ZINC000002413187 554193356 /nfs/dbraw/zinc/19/33/56/554193356.db2.gz ZTYJOXNXELGGPE-UHFFFAOYSA-N 0 0 465.513 4.247 50 0 JIAARN COc1cc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc(OC)c1OC ZINC000002413863 554193540 /nfs/dbraw/zinc/19/35/40/554193540.db2.gz AEKGVOXGALTOFV-GAJHUEQPSA-N 0 0 479.529 4.160 50 0 JIAARN CCOC(=O)C1=NN(c2cccc(OC)c2)[C@@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 ZINC000002415524 554194749 /nfs/dbraw/zinc/19/47/49/554194749.db2.gz PROQDVYZGFBQNH-HSZRJFAPSA-N 0 0 485.587 4.394 50 0 JIAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(Br)cc2)N1C[C@@H]1CCCO1 ZINC000002416987 554195650 /nfs/dbraw/zinc/19/56/50/554195650.db2.gz PNIHWSKIHCQWLP-HNAYVOBHSA-N 0 0 458.283 4.419 50 0 JIAARN Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1-c1ccc(C(F)(F)F)cc1 ZINC000002418808 554197248 /nfs/dbraw/zinc/19/72/48/554197248.db2.gz KRNAACJYQRRJSS-HNNXBMFYSA-N 0 0 455.440 4.084 50 0 JIAARN CCOC(=O)N1CCN(c2nc(SCC)nc3sc4c(c32)C[C@@](C)(CC)OC4)CC1 ZINC000002420466 554197863 /nfs/dbraw/zinc/19/78/63/554197863.db2.gz JLJTVNGPPMFJRD-OAQYLSRUSA-N 0 0 450.630 4.323 50 0 JIAARN Cc1cc(C)n(-c2nc3sc4c(c3c(SCC(=O)N3CCCC3)n2)CC(C)(C)OC4)n1 ZINC000002423095 554199598 /nfs/dbraw/zinc/19/95/98/554199598.db2.gz IIURVJIPGODTSA-UHFFFAOYSA-N 0 0 457.625 4.060 50 0 JIAARN O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000002429702 554204133 /nfs/dbraw/zinc/20/41/33/554204133.db2.gz NAPWZHSPJUSRDX-SUWCGCSTSA-N 0 0 476.747 4.078 50 0 JIAARN COc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3OC)nnc2-c2cccnc2)cc1 ZINC000002443146 554210688 /nfs/dbraw/zinc/21/06/88/554210688.db2.gz VRXQPKWBNJRFFY-UHFFFAOYSA-N 0 0 461.547 4.386 50 0 JIAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(OC)c(OC)c3)nnc2-c2ccco2)cc1 ZINC000002451148 554218613 /nfs/dbraw/zinc/21/86/13/554218613.db2.gz MVDQSFBPTDDJTL-UHFFFAOYSA-N 0 0 466.519 4.284 50 0 JIAARN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2Cc2ccco2)cc1 ZINC000002452493 554219560 /nfs/dbraw/zinc/21/95/60/554219560.db2.gz URGYAUOBRJNXCS-UHFFFAOYSA-N 0 0 478.530 4.266 50 0 JIAARN COc1ccc(OC)c(NC(=O)c2cc3nc(-c4ccc5c(c4)OCO5)cc(C(F)(F)F)n3n2)c1 ZINC000002493544 554227592 /nfs/dbraw/zinc/22/75/92/554227592.db2.gz TYIOOJVWIILYIL-UHFFFAOYSA-N 0 0 486.406 4.413 50 0 JIAARN COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000002502143 554229692 /nfs/dbraw/zinc/22/96/92/554229692.db2.gz BJHCYRXOSKXSGD-UHFFFAOYSA-N 0 0 466.309 4.032 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2SCC(=O)NC[C@H]2CCCO2)cc1 ZINC000002601813 554240445 /nfs/dbraw/zinc/24/04/45/554240445.db2.gz JYSVNFISOUWIPY-GOSISDBHSA-N 0 0 490.578 4.009 50 0 aggregator JIAARN Cc1ccc(-c2csc(=S)n2CC(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000002617890 554242277 /nfs/dbraw/zinc/24/22/77/554242277.db2.gz NCIVDSVJUXVTJZ-UHFFFAOYSA-N 0 0 456.545 4.208 50 0 JIAARN COc1cc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc(OC)c1OC ZINC000002620836 554245798 /nfs/dbraw/zinc/24/57/98/554245798.db2.gz KYEGRIRKYLGVNS-UHFFFAOYSA-N 0 0 484.556 4.285 50 0 JIAARN O=C(CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N1CC(=O)Nc2ccccc21 ZINC000002627586 554251004 /nfs/dbraw/zinc/25/10/04/554251004.db2.gz LKJQMIWTKPNIIA-UHFFFAOYSA-N 0 0 490.972 4.176 50 0 aggregator JIAARN CN(CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002631514 554253443 /nfs/dbraw/zinc/25/34/43/554253443.db2.gz FLBMWHOPOKLRNC-UHFFFAOYSA-N 0 0 457.911 4.001 50 0 JIAARN Cc1cccc(-n2c(=O)c3ccc(Cl)cc3nc2SCC(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000002634184 554255185 /nfs/dbraw/zinc/25/51/85/554255185.db2.gz POJWPJBGVMSRHB-UHFFFAOYSA-N 0 0 493.972 4.485 50 0 JIAARN O=S(=O)(c1ccc(F)cc1)N(c1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000002637617 554258094 /nfs/dbraw/zinc/25/80/94/554258094.db2.gz KBFXDBZYPUKXMV-UHFFFAOYSA-N 0 0 459.442 4.429 50 0 JIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000002640436 554259748 /nfs/dbraw/zinc/25/97/48/554259748.db2.gz IWINAASKKHBWHT-UHFFFAOYSA-N 0 0 497.451 4.240 50 0 JIAARN COC(=O)c1ccc(NC(=O)COC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1 ZINC000002642283 554260953 /nfs/dbraw/zinc/26/09/53/554260953.db2.gz RCDWUWBPXBUELL-UHFFFAOYSA-N 0 0 471.465 4.351 50 0 aggregator JIAARN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3c(C)cc(Br)cc3C)CC2=O)cc1C ZINC000002648318 554265297 /nfs/dbraw/zinc/26/52/97/554265297.db2.gz MAFBCVSXZFPRKS-QGZVFWFLSA-N 0 0 473.367 4.218 50 0 JIAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)C1=O ZINC000002650045 554266002 /nfs/dbraw/zinc/26/60/02/554266002.db2.gz NSUYPKZDMXQSNQ-YHAMSUFESA-N 0 0 497.617 4.236 50 0 JIAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O ZINC000002656621 554271698 /nfs/dbraw/zinc/27/16/98/554271698.db2.gz BFJQZIKXMLRENN-UHFFFAOYSA-N 0 0 452.319 4.094 50 0 JIAARN COC(=O)c1cc(NC(=O)CSc2nc(C)nc3sc4c(c32)CCCC4)cc(C(=O)OC)c1 ZINC000002679205 554281195 /nfs/dbraw/zinc/28/11/95/554281195.db2.gz OSWSGJBDWCLPAT-UHFFFAOYSA-N 0 0 485.587 4.183 50 0 JIAARN CSc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccc(C)cc4)c(=O)n32)cc1 ZINC000002680761 554281756 /nfs/dbraw/zinc/28/17/56/554281756.db2.gz SHULXDXZAJGYSK-XPCGLTFESA-N 0 0 492.666 4.465 50 0 JIAARN COCCCn1c(SCC(=O)NCCc2ccccc2)nc2c3ccccc3sc2c1=O ZINC000002687380 554283481 /nfs/dbraw/zinc/28/34/81/554283481.db2.gz HBSIPHACYRXLGX-UHFFFAOYSA-N 0 0 467.616 4.099 50 0 JIAARN CC(C)(C)C(=O)Cn1c2ccsc2c(=O)n(CCCCCC(=O)Nc2ccccc2)c1=O ZINC000002687312 554283499 /nfs/dbraw/zinc/28/34/99/554283499.db2.gz KCMRUGKYGAUIBL-UHFFFAOYSA-N 0 0 455.580 4.039 50 0 JIAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3cc4c(cc3c2=O)OCCO4)cc1 ZINC000002687813 554283745 /nfs/dbraw/zinc/28/37/45/554283745.db2.gz DBHCYQALGLSATL-UHFFFAOYSA-N 0 0 472.472 4.090 50 0 JIAARN 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O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000006101394 554505388 /nfs/dbraw/zinc/50/53/88/554505388.db2.gz ISESOMWKHUUKCT-UHFFFAOYSA-N 0 0 466.588 4.490 50 0 JIAARN Cc1ccc(N(Cc2ccc(C(=O)NCCSc3ccccn3)cc2)S(C)(=O)=O)cc1C ZINC000006348645 554532196 /nfs/dbraw/zinc/53/21/96/554532196.db2.gz PXCDJKQKYFMLPW-UHFFFAOYSA-N 0 0 469.632 4.187 50 0 JIAARN CCN(CC)C(=O)c1sc(NC(=S)Nc2ccc(Br)cn2)c(C(=O)OC)c1C ZINC000006352704 554532244 /nfs/dbraw/zinc/53/22/44/554532244.db2.gz RFAXMGMTAOHPFL-UHFFFAOYSA-N 0 0 485.429 4.292 50 0 JIAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccccc3)n1-c1ccccc1)CCC2 ZINC000006474523 554544364 /nfs/dbraw/zinc/54/43/64/554544364.db2.gz IOGFQPZDBHRFGN-UHFFFAOYSA-N 0 0 475.599 4.314 50 0 JIAARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(C)n1-c1nc[nH]n1 ZINC000006498431 554546662 /nfs/dbraw/zinc/54/66/62/554546662.db2.gz ZFXIVUFFPUEDPX-UHFFFAOYSA-N 0 0 455.547 4.435 50 0 JIAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2F)cc1 ZINC000006577162 554552525 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480.589 4.336 50 0 JIAARN O=C(NC[C@@H]1CCCO1)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000008444695 554594432 /nfs/dbraw/zinc/59/44/32/554594432.db2.gz IPYYNQWEJQLKJT-IMJJTQAJSA-N 0 0 473.293 4.215 50 0 JIAARN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cccc(OC)c5O)c(=O)n42)c2ccccc2CC3)cc1 ZINC000008445228 554594657 /nfs/dbraw/zinc/59/46/57/554594657.db2.gz QQLHVDUBXWWWQD-MKWGYRPRSA-N 0 0 496.588 4.042 50 0 JIAARN Cc1ccccc1NC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000008454874 554599733 /nfs/dbraw/zinc/59/97/33/554599733.db2.gz FXRDNYNLKRYDIY-FJWZAKCXSA-N 0 0 489.984 4.429 50 0 JIAARN CC[C@@H](C(=O)NCCc1cc(OC)ccc1OC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000008587782 554601962 /nfs/dbraw/zinc/60/19/62/554601962.db2.gz UWZXPGPLDJRVGP-IBGZPJMESA-N 0 0 465.575 4.247 50 0 JIAARN COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000008737908 554639437 /nfs/dbraw/zinc/63/94/37/554639437.db2.gz UMWBOTVUSAMJQW-QFIPXVFZSA-N 0 0 466.925 4.010 50 0 JIAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)C2CC2)c1 ZINC000008745034 554648282 /nfs/dbraw/zinc/64/82/82/554648282.db2.gz MARNXSIYFLFFCE-UHFFFAOYSA-N 0 0 455.967 4.365 50 0 JIAARN Cc1cc(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000008746050 554649287 /nfs/dbraw/zinc/64/92/87/554649287.db2.gz KZENTNVKEYGQDM-KRWDZBQOSA-N 0 0 476.649 4.343 50 0 JIAARN COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)nnc2-c2ccncc2)cc1 ZINC000008747592 554650564 /nfs/dbraw/zinc/65/05/64/554650564.db2.gz OJEGDJZUGJVPBZ-OAHLLOKOSA-N 0 0 475.530 4.186 50 0 JIAARN CCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000008750804 554653039 /nfs/dbraw/zinc/65/30/39/554653039.db2.gz UCDICKKUZAILOP-FQEVSTJZSA-N 0 0 457.983 4.152 50 0 JIAARN C1CCC(NC2(c3nnnn3C3CCCCC3)CCCC2)(c2nnnn2C2CCCCC2)C1 ZINC000008751604 554653448 /nfs/dbraw/zinc/65/34/48/554653448.db2.gz QRZBOPIQZCIRHY-UHFFFAOYSA-N 0 0 453.639 4.498 50 0 JIAARN O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000008753918 554655643 /nfs/dbraw/zinc/65/56/43/554655643.db2.gz AKQPSSQLDNCMIT-UHFFFAOYSA-N 0 0 455.514 4.395 50 0 JIAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000008755770 554657804 /nfs/dbraw/zinc/65/78/04/554657804.db2.gz KXZKCANLCJRGQP-NFQMXDRXSA-N 0 0 463.578 4.115 50 0 JIAARN C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)C1=O ZINC000008757372 554659742 /nfs/dbraw/zinc/65/97/42/554659742.db2.gz VQYGHKLAJROGCM-RLWLMLJZSA-N 0 0 475.932 4.274 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000008759832 554661133 /nfs/dbraw/zinc/66/11/33/554661133.db2.gz WLVSGKAOIWZKBK-UHFFFAOYSA-N 0 0 495.919 4.484 50 0 JIAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSc2nc3cc(OC)ccc3[nH]2)cc1 ZINC000008759231 554661143 /nfs/dbraw/zinc/66/11/43/554661143.db2.gz OPIKORBUKLFSLJ-UHFFFAOYSA-N 0 0 490.585 4.283 50 0 JIAARN Cc1nc(COc2ccc(C(=O)NCC(=O)Nc3ccc(Br)cc3C)cc2)cs1 ZINC000008762593 554662382 /nfs/dbraw/zinc/66/23/82/554662382.db2.gz QLWILJRRABVXRU-UHFFFAOYSA-N 0 0 474.380 4.470 50 0 JIAARN CCOc1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)cc1 ZINC000008767678 554668231 /nfs/dbraw/zinc/66/82/31/554668231.db2.gz HOFMJFDVESSMKR-UHFFFAOYSA-N 0 0 452.580 4.245 50 0 JIAARN COc1ccc(-n2nc(C(=O)N3CCCC3)/c(=N/C(=O)c3ccc(Cl)cc3Cl)s2)cc1 ZINC000008767880 554668429 /nfs/dbraw/zinc/66/84/29/554668429.db2.gz RNNGFPIYIKPXRR-GFMRDNFCSA-N 0 0 477.373 4.226 50 0 JIAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1c2ccccc2nc2c1CCCCC2 ZINC000008775352 554673857 /nfs/dbraw/zinc/67/38/57/554673857.db2.gz CTLWFCWACHHFMK-QGZVFWFLSA-N 0 0 457.530 4.424 50 0 JIAARN COc1ccc(N2C(=O)CC[C@H](C(=O)N(C)c3cccc(OC)n3)[C@H]2c2ccccc2OC)cc1 ZINC000008780534 554677553 /nfs/dbraw/zinc/67/75/53/554677553.db2.gz CNMACWVMEDCZRP-HFZDXXHNSA-N 0 0 475.545 4.255 50 0 JIAARN COc1ccc([C@H]2CN3C(=O)CN(Cc4ccccc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008788813 554680706 /nfs/dbraw/zinc/68/07/06/554680706.db2.gz TXFFZIXQYUGDMP-BTYSJIOQSA-N 0 0 465.553 4.408 50 0 biogenic JIAARN CCN1CC(=O)N2C[C@H](c3ccc(OC(C)C)c(OC)c3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789804 554682558 /nfs/dbraw/zinc/68/25/58/554682558.db2.gz NKTVOUJVPHUOPY-WINIVTDRSA-N 0 0 461.562 4.015 50 0 biogenic JIAARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCCC1 ZINC000008791064 554684229 /nfs/dbraw/zinc/68/42/29/554684229.db2.gz VAIKMUSEBVTDCK-KLJDGLGGSA-N 0 0 498.627 4.228 50 0 biogenic JIAARN COc1cccc(CNC(=O)COc2cc3c(c4oc(=O)c(C)c(C)c24)CCC(C)(C)O3)c1 ZINC000008791620 554684893 /nfs/dbraw/zinc/68/48/93/554684893.db2.gz GBCJVFNNVWATDV-UHFFFAOYSA-N 0 0 451.519 4.217 50 0 biogenic JIAARN Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2-c2ccc(F)cc2)c1 ZINC000008792805 554686270 /nfs/dbraw/zinc/68/62/70/554686270.db2.gz BKRPVICEMHGQEK-UHFFFAOYSA-N 0 0 481.578 4.437 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000008809336 554688020 /nfs/dbraw/zinc/68/80/20/554688020.db2.gz GDYLTXCABJRKHX-GANRHZMWSA-N 0 0 479.410 4.167 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000008818900 554702786 /nfs/dbraw/zinc/70/27/86/554702786.db2.gz LEPGWNGCYOPONF-CZOCFHOSSA-N 0 0 464.974 4.117 50 0 JIAARN Cc1cc(C(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000008824304 554711162 /nfs/dbraw/zinc/71/11/62/554711162.db2.gz GMTXSMBZUZDZBB-UHFFFAOYSA-N 0 0 465.477 4.410 50 0 JIAARN Cc1ccc(C)c(Cn2c3ccsc3c(=O)n(-c3ccc(CC(=O)NCc4ccco4)cc3)c2=O)c1 ZINC000008828529 554718931 /nfs/dbraw/zinc/71/89/31/554718931.db2.gz NKQUVGZOVJDZAJ-UHFFFAOYSA-N 0 0 499.592 4.331 50 0 aggregator JIAARN COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OCC(C)C)c(OC)c1 ZINC000008845317 554742107 /nfs/dbraw/zinc/74/21/07/554742107.db2.gz BOHDRXIPQDLTNC-DEOSSOPVSA-N 0 0 451.523 4.017 50 0 JIAARN CCCOc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCOC)cc1OCC ZINC000008845421 554742577 /nfs/dbraw/zinc/74/25/77/554742577.db2.gz UFCROLHEBVFGJK-RUZDIDTESA-N 0 0 465.550 4.470 50 0 JIAARN Cc1cc(C)c(NC(=O)CNC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)c(C)c1 ZINC000008849770 554747128 /nfs/dbraw/zinc/74/71/28/554747128.db2.gz DVWVKRKSNDMHPD-UHFFFAOYSA-N 0 0 478.618 4.284 50 0 JIAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000008850049 554747139 /nfs/dbraw/zinc/74/71/39/554747139.db2.gz ONQHEZQOIKTIEO-MHZLTWQESA-N 0 0 463.553 4.271 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(F)c3)cs2)c1 ZINC000008850105 554747313 /nfs/dbraw/zinc/74/73/13/554747313.db2.gz KTFBONFFBQUNOC-UHFFFAOYSA-N 0 0 458.540 4.153 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)cc1 ZINC000008850490 554747491 /nfs/dbraw/zinc/74/74/91/554747491.db2.gz WNFKEYBRPUQIEG-OAHLLOKOSA-N 0 0 468.604 4.252 50 0 JIAARN CCOc1ccccc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(NC(C)=O)cc2)n1 ZINC000008850590 554747672 /nfs/dbraw/zinc/74/76/72/554747672.db2.gz AVGAUEGZAHUKAZ-UHFFFAOYSA-N 0 0 484.603 4.412 50 0 JIAARN CC[C@]1(C)NC(=O)N(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C2CCCC2)C1=O ZINC000008850934 554747923 /nfs/dbraw/zinc/74/79/23/554747923.db2.gz SLVWHLUGNSWGHE-VWLOTQADSA-N 0 0 498.653 4.202 50 0 JIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)NCc3ccc(Cl)cc3)cs2)cc1 ZINC000008851416 554748339 /nfs/dbraw/zinc/74/83/39/554748339.db2.gz HXMGGBDCQGGXAO-UHFFFAOYSA-N 0 0 461.996 4.395 50 0 JIAARN COc1ccc(N(C(=O)CNC(=O)c2ccccc2)C2(C(=O)Nc3ccccc3)CCCC2)cc1 ZINC000008856948 554753161 /nfs/dbraw/zinc/75/31/61/554753161.db2.gz CYGLBNWKQKIMDB-UHFFFAOYSA-N 0 0 471.557 4.410 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)cc2)cc1 ZINC000008862161 554759735 /nfs/dbraw/zinc/75/97/35/554759735.db2.gz QUBSGVAFKPHXGS-UHFFFAOYSA-N 0 0 488.613 4.337 50 0 JIAARN Cc1ccc2oc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCCC4)cc(=O)c2c1 ZINC000008869324 554763099 /nfs/dbraw/zinc/76/30/99/554763099.db2.gz BKWXYEZZVMMMTP-OAHLLOKOSA-N 0 0 466.559 4.203 50 0 JIAARN COc1ccc(/C=C/C(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000008869518 554763263 /nfs/dbraw/zinc/76/32/63/554763263.db2.gz GWMVUPHXBDOZNC-XAYKGCCJSA-N 0 0 471.619 4.230 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(Cc3ccc(OC)cc3)o1)CCC2 ZINC000008871569 554767379 /nfs/dbraw/zinc/76/73/79/554767379.db2.gz NBFWFWITMCKZFX-UHFFFAOYSA-N 0 0 473.576 4.127 50 0 JIAARN Cc1nc(-c2cccnc2)sc1-c1ccc(SCC(=O)Nc2ccc3c(c2)OCO3)nn1 ZINC000008875956 554771229 /nfs/dbraw/zinc/77/12/29/554771229.db2.gz OAKSXFKWXSPNQL-UHFFFAOYSA-N 0 0 463.544 4.430 50 0 JIAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)Cn2nnc(-c3ccccc3C)n2)cc1OC ZINC000008884022 554778656 /nfs/dbraw/zinc/77/86/56/554778656.db2.gz AWEVIYKKPRGCAI-HXUWFJFHSA-N 0 0 488.573 4.105 50 0 JIAARN Cc1ccc(-n2c(CCC(=O)OCC(=O)N[C@@H]3CCCc4ccccc43)nc3ccccc3c2=O)cc1 ZINC000008884559 554778795 /nfs/dbraw/zinc/77/87/95/554778795.db2.gz XLLKUYKRRUYJIO-RUZDIDTESA-N 0 0 495.579 4.364 50 0 JIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H](c3ccco3)N3CCCC3)c2)C1 ZINC000008896154 554785648 /nfs/dbraw/zinc/78/56/48/554785648.db2.gz UYCKRJNXEHALTB-SVMVAKDDSA-N 0 0 494.057 4.167 50 0 JIAARN CC[C@H](C)N(C(=O)CSc1nc(-c2cccs2)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000008898340 554788671 /nfs/dbraw/zinc/78/86/71/554788671.db2.gz XUXZPCGHVWQIGS-JKSUJKDBSA-N 0 0 475.661 4.265 50 0 JIAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000008900314 554792428 /nfs/dbraw/zinc/79/24/28/554792428.db2.gz LORQMEAKFNJTIZ-HSZRJFAPSA-N 0 0 468.600 4.180 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nnc(-c3ccccc3)s2)ccc1Cl ZINC000008901881 554795418 /nfs/dbraw/zinc/79/54/18/554795418.db2.gz UHJHLBPCZDCPME-UHFFFAOYSA-N 0 0 450.973 4.141 50 0 JIAARN CCN(Cc1ccccc1)c1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000008912386 554802446 /nfs/dbraw/zinc/80/24/46/554802446.db2.gz ORITWCBPUSDDNU-UHFFFAOYSA-N 0 0 464.634 4.104 50 0 JIAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N(C)Cc2ccccc2)s1 ZINC000008912504 554802949 /nfs/dbraw/zinc/80/29/49/554802949.db2.gz NLZQYCORBFHADP-UHFFFAOYSA-N 0 0 485.052 4.449 50 0 JIAARN COCCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2F)cc1 ZINC000008913637 554806541 /nfs/dbraw/zinc/80/65/41/554806541.db2.gz NMMZHKMCSONFSK-UHFFFAOYSA-N 0 0 450.539 4.287 50 0 JIAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000008916120 554810296 /nfs/dbraw/zinc/81/02/96/554810296.db2.gz OCQROWCOBGKSMM-QFBILLFUSA-N 0 0 453.963 4.079 50 0 JIAARN Cc1ccccc1CSc1ncc(Cl)c(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000008917602 554812826 /nfs/dbraw/zinc/81/28/26/554812826.db2.gz MDGAKIRFUBZKHJ-KRWDZBQOSA-N 0 0 492.022 4.153 50 0 JIAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)N4CC[C@@]5(O)CCCC[C@H]5C4)ccc23)cc1 ZINC000008918478 554815088 /nfs/dbraw/zinc/81/50/88/554815088.db2.gz QNTYLYQFGRWIJX-MMTVBGGISA-N 0 0 477.557 4.309 50 0 biogenic JIAARN COc1ccc(OC)c(C(=O)C[C@@]2(O)c3cc(Br)ccc3N(Cc3ccccc3)C2=O)c1 ZINC000008921141 554817910 /nfs/dbraw/zinc/81/79/10/554817910.db2.gz BYAYVDOLJWXPCX-RUZDIDTESA-N 0 0 496.357 4.474 50 0 JIAARN 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C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000009057104 554876342 /nfs/dbraw/zinc/87/63/42/554876342.db2.gz BOZKBJHMBWPQNU-KRWDZBQOSA-N 0 0 468.531 4.043 50 0 JIAARN Cc1ccc(OCCOCCOc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)cc1 ZINC000009065702 554885238 /nfs/dbraw/zinc/88/52/38/554885238.db2.gz KAUIUQRUDDXIKH-BWAHOGKJSA-N 0 0 472.566 4.240 50 0 JIAARN NC(=O)c1ccc(NC(=O)[C@@H]2CCCc3sc(NC(=O)c4ccc(Cl)cc4)nc32)cc1 ZINC000009073560 554886434 /nfs/dbraw/zinc/88/64/34/554886434.db2.gz QNCIPACSNQNXRE-MRXNPFEDSA-N 0 0 454.939 4.206 50 0 JIAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000009075642 554886653 /nfs/dbraw/zinc/88/66/53/554886653.db2.gz KYZALOBKRFRTDX-NJDAHSKKSA-N 0 0 454.404 4.462 50 0 JIAARN COc1ccc2cc([C@@H]3CC(c4ccc(OC)c(OC)c4)=NN3S(C)(=O)=O)c(Cl)nc2c1 ZINC000009075565 554886679 /nfs/dbraw/zinc/88/66/79/554886679.db2.gz XIXHDUBFPRJABY-IBGZPJMESA-N 0 0 475.954 4.025 50 0 JIAARN 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COc1ccc2c(c1)c1c(c(=O)n(-c3ccc(C)cc3)c(=O)n1Cc1cccc(OC)c1)n2C ZINC000009153706 554943876 /nfs/dbraw/zinc/94/38/76/554943876.db2.gz LQTYMVKMYDZUDT-UHFFFAOYSA-N 0 0 455.514 4.018 50 0 JIAARN COc1ccc2c(c1)c1c(c(=O)n(-c3cccc(C)c3)c(=O)n1CC(=O)Nc1cc(C)cc(C)c1)n2C ZINC000009153743 554944180 /nfs/dbraw/zinc/94/41/80/554944180.db2.gz XOMZVNDINMOIPY-UHFFFAOYSA-N 0 0 496.567 4.217 50 0 JIAARN Cc1cc(C(=O)CSc2nnc([C@H]3COc4ccccc4O3)n2C)c(C)n1-c1nccs1 ZINC000009155226 554945214 /nfs/dbraw/zinc/94/52/14/554945214.db2.gz NSBMOAOQBPEPGD-LJQANCHMSA-N 0 0 467.576 4.167 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1F ZINC000009169403 554952911 /nfs/dbraw/zinc/95/29/11/554952911.db2.gz NUAVJRYCJYNEDV-UHFFFAOYSA-N 0 0 464.559 4.433 50 0 JIAARN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)Cn3c4ccccc4sc3=O)cc2)c1 ZINC000009191865 554964283 /nfs/dbraw/zinc/96/42/83/554964283.db2.gz QIOBXFZGBOPPFR-UHFFFAOYSA-N 0 0 467.572 4.119 50 0 JIAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)CCCOc4ccccc4)s3)CC2=O)cc1C ZINC000009198556 554969976 /nfs/dbraw/zinc/96/99/76/554969976.db2.gz DECGZJJKOHTOJF-GOSISDBHSA-N 0 0 450.564 4.473 50 0 JIAARN CCc1ccc(N2C[C@@H](c3nnc(NC(=O)CCCOc4ccccc4)s3)CC2=O)cc1 ZINC000009198573 554970011 /nfs/dbraw/zinc/97/00/11/554970011.db2.gz JKIRRCQSLZYCDK-SFHVURJKSA-N 0 0 450.564 4.419 50 0 JIAARN CC[C@H](C(=O)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)CC1)c1ccccc1 ZINC000009202369 554973020 /nfs/dbraw/zinc/97/30/20/554973020.db2.gz ZTIACAJKLIUPNV-NRFANRHFSA-N 0 0 474.540 4.014 50 0 JIAARN COc1ccc(-c2cc3ncn(CC(=O)Nc4ccc(N5CCCC5)cc4)c(=O)c3s2)cc1 ZINC000009205934 554975219 /nfs/dbraw/zinc/97/52/19/554975219.db2.gz RGOXQVKKOMGTJI-UHFFFAOYSA-N 0 0 460.559 4.373 50 0 JIAARN COc1ccc(-c2cc3ncn(CC(=O)Nc4ccccc4N4CCCC4)c(=O)c3s2)cc1 ZINC000009207044 554976134 /nfs/dbraw/zinc/97/61/34/554976134.db2.gz CZZKIGDGKXRAMC-UHFFFAOYSA-N 0 0 460.559 4.373 50 0 JIAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc(C)nc4c3cnn4Cc3ccc(C)cc3)CC2)c(F)c1 ZINC000009208426 554976817 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/nfs/dbraw/zinc/13/72/04/555137204.db2.gz AQVUXIHXNIKODA-UHFFFAOYSA-N 0 0 487.427 4.143 50 0 JIAARN CCOc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)c1ccco1 ZINC000009378578 555139985 /nfs/dbraw/zinc/13/99/85/555139985.db2.gz WKVZVNNZLJCDBA-HXUWFJFHSA-N 0 0 453.520 4.041 50 0 JIAARN COc1ccccc1Nc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)s1 ZINC000009378838 555140745 /nfs/dbraw/zinc/14/07/45/555140745.db2.gz RVIFHFXZIZNQPN-UHFFFAOYSA-N 0 0 475.621 4.060 50 0 JIAARN Cc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009380887 555142936 /nfs/dbraw/zinc/14/29/36/555142936.db2.gz PJKRSLKJOKXIKW-QHCPKHFHSA-N 0 0 487.578 4.046 50 0 JIAARN Cc1ccc(S(=O)(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)C[C@@H]2c2cccc(F)c2)cc1 ZINC000009380942 555143240 /nfs/dbraw/zinc/14/32/40/555143240.db2.gz SFOLICVCMNEHEG-HSZRJFAPSA-N 0 0 487.578 4.046 50 0 JIAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c1csc2NC(=O)CSCc1ccccc1 ZINC000009381354 555143917 /nfs/dbraw/zinc/14/39/17/555143917.db2.gz IQCCPYLZYKPCSJ-UHFFFAOYSA-N 0 0 479.583 4.496 50 0 JIAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2NC(=O)CCc1ccccc1 ZINC000009381534 555144878 /nfs/dbraw/zinc/14/48/78/555144878.db2.gz SYCOPHSCDJDNOK-UHFFFAOYSA-N 0 0 465.506 4.334 50 0 JIAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2NC(=O)[C@@H](C)Oc1ccccc1 ZINC000009381518 555144894 /nfs/dbraw/zinc/14/48/94/555144894.db2.gz VNENZNYURNYZLY-CQSZACIVSA-N 0 0 481.505 4.169 50 0 JIAARN COc1ccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)c2cccs2)cc1OC ZINC000009382120 555146331 /nfs/dbraw/zinc/14/63/31/555146331.db2.gz XJUUSNKAQPBQAB-LJQANCHMSA-N 0 0 485.587 4.128 50 0 JIAARN COc1ccc(OC)c([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2cccs2)c1 ZINC000009382267 555146822 /nfs/dbraw/zinc/14/68/22/555146822.db2.gz NDEZBQDOABQUSY-FQEVSTJZSA-N 0 0 485.587 4.128 50 0 JIAARN COc1ccc(-n2nc3c(c2NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)CSC3)cc1 ZINC000009390975 555153009 /nfs/dbraw/zinc/15/30/09/555153009.db2.gz YJNKVRZHYMDOQI-BJMVGYQFSA-N 0 0 467.547 4.305 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)COc1ccccc1)CC2 ZINC000009391251 555154120 /nfs/dbraw/zinc/15/41/20/555154120.db2.gz FWCREBKMFNFVAZ-HSZRJFAPSA-N 0 0 451.494 4.427 50 0 JIAARN O=C(CSc1cn(CCNC(=O)c2cccs2)c2ccccc12)NCc1ccc2c(c1)OCO2 ZINC000009394675 555158056 /nfs/dbraw/zinc/15/80/56/555158056.db2.gz AJQOKUOMQVDCAF-UHFFFAOYSA-N 0 0 493.610 4.270 50 0 JIAARN COc1ccc(C(=O)NCCn2cc(SCC(=O)NC3CCCC3)c3ccccc32)cc1OC ZINC000009394830 555158531 /nfs/dbraw/zinc/15/85/31/555158531.db2.gz YRYRTNUEKHWXEX-UHFFFAOYSA-N 0 0 481.618 4.239 50 0 JIAARN CC[C@H](Sc1nc2nccnc2c(=O)n1CCc1ccccc1)C(=O)Nc1ccc(C)cc1 ZINC000009405190 555163993 /nfs/dbraw/zinc/16/39/93/555163993.db2.gz LCFHDLHEGLTJCZ-FQEVSTJZSA-N 0 0 459.575 4.247 50 0 JIAARN CC[C@@H](Sc1nc2nccnc2c(=O)n1CCc1ccccc1)C(=O)Nc1ccc(C)cc1 ZINC000009405191 555164049 /nfs/dbraw/zinc/16/40/49/555164049.db2.gz LCFHDLHEGLTJCZ-HXUWFJFHSA-N 0 0 459.575 4.247 50 0 JIAARN CC[C@@H](Sc1nc2nccnc2c(=O)n1CCc1ccccc1)C(=O)Nc1ccccc1F ZINC000009405206 555164263 /nfs/dbraw/zinc/16/42/63/555164263.db2.gz QFRWNVOIEBXJMB-LJQANCHMSA-N 0 0 463.538 4.078 50 0 JIAARN Cc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000009405656 555164855 /nfs/dbraw/zinc/16/48/55/555164855.db2.gz DXTSYCTZQQBGSI-UHFFFAOYSA-N 0 0 456.999 4.109 50 0 JIAARN Cc1ccc2c(c1)N(C(=O)N1CCC[C@H](C(=O)NCc3ccccc3Br)C1)C[C@@H](C)O2 ZINC000009405991 555165581 /nfs/dbraw/zinc/16/55/81/555165581.db2.gz GHVNPHJFCMNCHZ-MJGOQNOKSA-N 0 0 486.410 4.493 50 0 JIAARN CCCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)cc1OC ZINC000009409192 555173566 /nfs/dbraw/zinc/17/35/66/555173566.db2.gz SNAWCWDHKHDGIT-VWLOTQADSA-N 0 0 465.550 4.288 50 0 JIAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000009412187 555179182 /nfs/dbraw/zinc/17/91/82/555179182.db2.gz GEFCIEZPQGZGBA-SFHVURJKSA-N 0 0 478.599 4.386 50 0 JIAARN O=C(COc1ccc(Cl)cc1Cl)Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2 ZINC000009413914 555180996 /nfs/dbraw/zinc/18/09/96/555180996.db2.gz CHBGUQWQGCPTOF-GDLZYMKVSA-N 0 0 454.310 4.098 50 0 JIAARN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1ccc(OCc2ccccc2)cc1 ZINC000009415766 555183275 /nfs/dbraw/zinc/18/32/75/555183275.db2.gz FZYSMJRIQMDNRX-UHFFFAOYSA-N 0 0 483.615 4.176 50 0 JIAARN CNc1nnc(SCC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)s1 ZINC000009416417 555184035 /nfs/dbraw/zinc/18/40/35/555184035.db2.gz BSJVXNMIHHTKHF-UHFFFAOYSA-N 0 0 473.649 4.181 50 0 JIAARN O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)CC1 ZINC000009417687 555185054 /nfs/dbraw/zinc/18/50/54/555185054.db2.gz LWQKGWWNHOSBGL-UHFFFAOYSA-N 0 0 460.921 4.384 50 0 JIAARN CC(C)c1ccc(CN(C(=O)c2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009424927 555189663 /nfs/dbraw/zinc/18/96/63/555189663.db2.gz MZCLURHZKMRWOV-FQEVSTJZSA-N 0 0 450.398 4.402 50 0 JIAARN CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3Cl)c(I)c2)C1=O ZINC000009427078 555191871 /nfs/dbraw/zinc/19/18/71/555191871.db2.gz ABJNLEWMCXRXCQ-OQLLNIDSSA-N 0 0 468.678 4.046 50 0 JIAARN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000009427110 555191909 /nfs/dbraw/zinc/19/19/09/555191909.db2.gz YPOADNBFILIOQN-UHFFFAOYSA-N 0 0 458.392 4.168 50 0 JIAARN Cc1c2nc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)sc2ccc1Cl ZINC000009427384 555192366 /nfs/dbraw/zinc/19/23/66/555192366.db2.gz YLHBRPGTSYGMEO-CHWSQXEVSA-N 0 0 480.011 4.308 50 0 JIAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)c(OC)ccc3OC)cc1 ZINC000009427561 555192759 /nfs/dbraw/zinc/19/27/59/555192759.db2.gz MTPLZTKPXSEEFI-UHFFFAOYSA-N 0 0 477.608 4.377 50 0 JIAARN COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)CC(c3ccccc3)c3ccccc3)cc12 ZINC000009428190 555193595 /nfs/dbraw/zinc/19/35/95/555193595.db2.gz VVQHZRXKXVNRHC-UHFFFAOYSA-N 0 0 456.542 4.426 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccc(OC)cc2OC)[C@@H]1c1cccs1 ZINC000009432842 555202409 /nfs/dbraw/zinc/20/24/09/555202409.db2.gz FZBDIFPDNFXUEH-DQEYMECFSA-N 0 0 494.613 4.051 50 0 JIAARN CCCN1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2cc(C)cc(C)c2)cn3CC)CC1 ZINC000009435662 555207131 /nfs/dbraw/zinc/20/71/31/555207131.db2.gz SVMBOIPCENLFQB-UHFFFAOYSA-N 0 0 485.625 4.142 50 0 JIAARN COc1ccc(/C=C/c2nc(-c3ccccc3O)n(S(=O)(=O)c3ccc(C)cc3)n2)cc1OC ZINC000009435775 555207394 /nfs/dbraw/zinc/20/73/94/555207394.db2.gz LPIWQDIPOBVMRH-RVDMUPIBSA-N 0 0 477.542 4.384 50 0 JIAARN CC(=O)Oc1ccc2c(C)c(CCC(=O)NCCc3c[nH]c4ccc(F)cc34)c(=O)oc2c1C ZINC000009435932 555207598 /nfs/dbraw/zinc/20/75/98/555207598.db2.gz YPLWUXWAQWIPLN-UHFFFAOYSA-N 0 0 464.493 4.247 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)n2C2CCCCC2)cc1OC ZINC000009440178 555210273 /nfs/dbraw/zinc/21/02/73/555210273.db2.gz VCRZYNKVHARQPM-IAGOWNOFSA-N 0 0 474.627 4.195 50 0 JIAARN Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)Cc2sc(N3CCCC3)nc2O)c2ccccc2)c1 ZINC000009442962 555215829 /nfs/dbraw/zinc/21/58/29/555215829.db2.gz CVJURHXJSPDAHM-UNMCSNQZSA-N 0 0 465.575 4.010 50 0 JIAARN CSCc1nnc2c3ccccc3c(-c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)nn12 ZINC000009449652 555222554 /nfs/dbraw/zinc/22/25/54/555222554.db2.gz PJDOCCSMYJVRCZ-UHFFFAOYSA-N 0 0 467.620 4.291 50 0 JIAARN Cc1nc(COc2ccccc2C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cs1 ZINC000009449828 555222577 /nfs/dbraw/zinc/22/25/77/555222577.db2.gz WYZLZZOIDMSUPJ-UHFFFAOYSA-N 0 0 479.558 4.250 50 0 JIAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2N)cc1 ZINC000009450501 555223207 /nfs/dbraw/zinc/22/32/07/555223207.db2.gz PNRJZGLXMCGTTC-CQSZACIVSA-N 0 0 465.558 4.432 50 0 JIAARN COc1cccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)c1 ZINC000009459749 555227282 /nfs/dbraw/zinc/22/72/82/555227282.db2.gz MLFMRMPRFBLRNM-UHFFFAOYSA-N 0 0 455.561 4.456 50 0 JIAARN C[C@H]1Oc2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)cc2NC1=O ZINC000009459850 555227488 /nfs/dbraw/zinc/22/74/88/555227488.db2.gz FVTLXTAIWNQOQO-CQSZACIVSA-N 0 0 497.960 4.063 50 0 JIAARN O=C(Cc1sc(N2CCCCC2)nc1O)Nc1ccc(C(=O)NCCSc2ccccc2)cc1 ZINC000009460358 555227917 /nfs/dbraw/zinc/22/79/17/555227917.db2.gz VQDBEWULQQZVQZ-NRFANRHFSA-N 0 0 496.658 4.021 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000009461324 555228856 /nfs/dbraw/zinc/22/88/56/555228856.db2.gz GAEBHDGGMTZJMB-NRFANRHFSA-N 0 0 470.616 4.395 50 0 JIAARN COc1cc2c(cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)oc1ccccc12 ZINC000009464649 555237228 /nfs/dbraw/zinc/23/72/28/555237228.db2.gz CPNJZGZMIGNGIW-UHFFFAOYSA-N 0 0 489.452 4.386 50 0 JIAARN CCOc1ccc(CCNC(=O)CSc2nnc(NCc3ccccc3)s2)cc1OCC ZINC000009464674 555237392 /nfs/dbraw/zinc/23/73/92/555237392.db2.gz BMAMDGBZYQZAPZ-UHFFFAOYSA-N 0 0 472.636 4.399 50 0 JIAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)c2)cc1 ZINC000009467432 555244458 /nfs/dbraw/zinc/24/44/58/555244458.db2.gz GGHYVMIEQBDDGQ-IBGZPJMESA-N 0 0 490.585 4.197 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)CCc3nc(-c4ccsc4)no3)c2)cc1 ZINC000009467912 555246203 /nfs/dbraw/zinc/24/62/03/555246203.db2.gz IAFZWEFFZKSFCR-UHFFFAOYSA-N 0 0 484.559 4.179 50 0 JIAARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009468074 555247003 /nfs/dbraw/zinc/24/70/03/555247003.db2.gz NVMUITJOTANPLU-MRXNPFEDSA-N 0 0 462.015 4.442 50 0 JIAARN CCCCn1c(CCC(=O)N[C@H](C)c2cccs2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009468521 555248407 /nfs/dbraw/zinc/24/84/07/555248407.db2.gz DNEGYFQALYXJIF-GOSISDBHSA-N 0 0 488.679 4.492 50 0 JIAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000009468691 555249155 /nfs/dbraw/zinc/24/91/55/555249155.db2.gz LVHMVKAONAYJQW-QGZVFWFLSA-N 0 0 470.558 4.185 50 0 JIAARN Cn1c2ccccc2c(C(=O)COC(=O)c2nn(C)c(=O)c3ccccc32)c1-c1ccccc1 ZINC000009469119 555250311 /nfs/dbraw/zinc/25/03/11/555250311.db2.gz RMDKJPLVMFKXAB-UHFFFAOYSA-N 0 0 451.482 4.132 50 0 JIAARN C[C@H]1CCc2sc(-c3nnc(Sc4ccc(S(=O)(=O)N5CCCC5)cn4)o3)cc2C1 ZINC000009469908 555253156 /nfs/dbraw/zinc/25/31/56/555253156.db2.gz XTJUVAPBXFVFGN-ZDUSSCGKSA-N 0 0 462.622 4.254 50 0 JIAARN CCCCCn1c(=O)c2ccc(C(=O)NC[C@H]3CCCO3)cc2nc1SCC(=O)c1ccccc1 ZINC000009472529 555255342 /nfs/dbraw/zinc/25/53/42/555255342.db2.gz ZKOZMLFNJQQBAV-OAQYLSRUSA-N 0 0 493.629 4.471 50 0 JIAARN CCCCNC(=O)CSc1nc2sc(C(=O)OCC)c(C)c2c(=O)n1CCc1ccccc1 ZINC000009473936 555256335 /nfs/dbraw/zinc/25/63/35/555256335.db2.gz WEIJULCHWVPOOF-UHFFFAOYSA-N 0 0 487.647 4.194 50 0 JIAARN COc1cc(CNC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)ccc1OCc1ccccc1 ZINC000009476751 555257622 /nfs/dbraw/zinc/25/76/22/555257622.db2.gz KSFHFRKXZNSDDK-VKGTZQKMSA-N 0 0 493.604 4.027 50 0 JIAARN Cc1ccc(-c2csc3ncnc(SCC(=O)NCc4c(C)cc(C)[nH]c4=O)c23)cc1 ZINC000009477426 555258102 /nfs/dbraw/zinc/25/81/02/555258102.db2.gz UOSVWAYPMXCJHA-UHFFFAOYSA-N 0 0 450.589 4.380 50 0 JIAARN O=C(c1ccc(-c2ccccc2F)o1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000009477434 555258187 /nfs/dbraw/zinc/25/81/87/555258187.db2.gz CJAYLHCBASEEKN-UHFFFAOYSA-N 0 0 478.911 4.247 50 0 JIAARN COc1ccc(C(=O)CSc2nc3ccccc3c3nc(-c4cccnc4)nn32)cc1OC ZINC000009485127 555262245 /nfs/dbraw/zinc/26/22/45/555262245.db2.gz WFFNSBHMCCHROU-UHFFFAOYSA-N 0 0 457.515 4.332 50 0 JIAARN Nn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cc(-c2ccccc2)n[nH]1 ZINC000009486927 555262663 /nfs/dbraw/zinc/26/26/63/555262663.db2.gz QGMQHQVWQOKSRY-UHFFFAOYSA-N 0 0 467.558 4.447 50 0 JIAARN CCc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)c2ccc(Br)cc2)cc1 ZINC000009490209 555265455 /nfs/dbraw/zinc/26/54/55/555265455.db2.gz VKAUKOYGCRCZDM-UHFFFAOYSA-N 0 0 469.364 4.409 50 0 JIAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(Cl)c(OC)c(OC)c1 ZINC000009491190 555268183 /nfs/dbraw/zinc/26/81/83/555268183.db2.gz XVIBQVIKRRSJNB-UHFFFAOYSA-N 0 0 464.946 4.244 50 0 JIAARN CCOc1ccc(N[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 ZINC000009491533 555269099 /nfs/dbraw/zinc/26/90/99/555269099.db2.gz NHGCSYUSNJPPRB-INIZCTEOSA-N 0 0 466.003 4.352 50 0 JIAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009491605 555269698 /nfs/dbraw/zinc/26/96/98/555269698.db2.gz FEYAWPKUJQYOQX-VWLOTQADSA-N 0 0 491.613 4.361 50 0 JIAARN NS(=O)(=O)c1ccc(CN[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1 ZINC000009492370 555272230 /nfs/dbraw/zinc/27/22/30/555272230.db2.gz WJUHOEMNLKUFHN-HXUWFJFHSA-N 0 0 497.926 4.476 50 0 JIAARN COCCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000009492422 555272393 /nfs/dbraw/zinc/27/23/93/555272393.db2.gz CSEQYIXTRRZGKQ-UHFFFAOYSA-N 0 0 486.041 4.076 50 0 JIAARN O=C(NCCc1ccccn1)c1ccc(Cl)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000009492666 555273039 /nfs/dbraw/zinc/27/30/39/555273039.db2.gz MZLXOYHBIWZCMU-UHFFFAOYSA-N 0 0 498.048 4.351 50 0 JIAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)c4cc(C)n(C[C@@H]5CCCO5)c4C)C3=O)ccc2c1 ZINC000009494094 555277737 /nfs/dbraw/zinc/27/77/37/555277737.db2.gz DBWLYHRJLMFVIL-FIPFOOKPSA-N 0 0 489.572 4.096 50 0 JIAARN CCCCCCNC(=O)c1cnc2ccc(S(=O)(=O)N3CCCC[C@@H]3c3cccnc3)cc2c1O ZINC000009495505 555279952 /nfs/dbraw/zinc/27/99/52/555279952.db2.gz PYRLFXNDQXXZCG-XMMPIXPASA-N 0 0 496.633 4.149 50 0 biogenic JIAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)cc1 ZINC000009495964 555280704 /nfs/dbraw/zinc/28/07/04/555280704.db2.gz RDCRXSBIOZDYHZ-UHFFFAOYSA-N 0 0 495.535 4.291 50 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555290612 /nfs/dbraw/zinc/29/06/12/555290612.db2.gz QVJSLLOHUYFQMH-UHFFFAOYSA-N 0 0 478.526 4.187 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2ccc(OC)cc2)c1 ZINC000009511125 555300581 /nfs/dbraw/zinc/30/05/81/555300581.db2.gz NKKHNMCOOXCJLY-UHFFFAOYSA-N 0 0 468.575 4.490 50 0 JIAARN CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000009511225 555300834 /nfs/dbraw/zinc/30/08/34/555300834.db2.gz YYQPJOKZGAAKEF-UHFFFAOYSA-N 0 0 450.579 4.274 50 0 JIAARN CC(C)[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000009513865 555304198 /nfs/dbraw/zinc/30/41/98/555304198.db2.gz CBOCZGCDPJMOCT-HXUWFJFHSA-N 0 0 469.529 4.119 50 0 JIAARN CC(C)[C@@H](Sc1nc(-c2ccc(Br)cc2)nc2ccccc21)C(=O)NC(N)=O ZINC000009514937 555305903 /nfs/dbraw/zinc/30/59/03/555305903.db2.gz FBSIIJOWYUHGAO-MRXNPFEDSA-N 0 0 459.369 4.371 50 0 JIAARN Cc1c(-c2ccccc2)sc2ncnc(NCc3ccc(S(=O)(=O)N4CCOCC4)s3)c12 ZINC000009514971 555305982 /nfs/dbraw/zinc/30/59/82/555305982.db2.gz 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O=S(=O)(Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1ccc2c(c1)OCCO2 ZINC000009529589 555323843 /nfs/dbraw/zinc/32/38/43/555323843.db2.gz CHZIIDGFMVNSQZ-UHFFFAOYSA-N 0 0 466.563 4.096 50 0 JIAARN CCCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000009530332 555324975 /nfs/dbraw/zinc/32/49/75/555324975.db2.gz RSFYUIBMUJOVEW-SFHVURJKSA-N 0 0 459.637 4.222 50 0 JIAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccccc2)cc1 ZINC000009533903 555328339 /nfs/dbraw/zinc/32/83/39/555328339.db2.gz CFYJYRKDRXHZEO-UHFFFAOYSA-N 0 0 476.558 4.017 50 0 JIAARN O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000009536615 555330118 /nfs/dbraw/zinc/33/01/18/555330118.db2.gz FFHDOLCIILEKKF-RCZVLFRGSA-N 0 0 479.989 4.391 50 0 JIAARN COC(=O)c1ccc(COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)Nc3ccccc3)cc2)cc1 ZINC000009540123 555332622 /nfs/dbraw/zinc/33/26/22/555332622.db2.gz HCCGVVCEYNEVIG-XMMPIXPASA-N 0 0 471.513 4.319 50 0 JIAARN COc1ccc(C)cc1-n1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000009632920 555335063 /nfs/dbraw/zinc/33/50/63/555335063.db2.gz ANVQOKRTGRLMQU-UHFFFAOYSA-N 0 0 475.526 4.162 50 0 JIAARN Cc1cc(I)ccc1NC(=O)COC(=O)COc1ccc2ccccc2c1 ZINC000009633060 555335319 /nfs/dbraw/zinc/33/53/19/555335319.db2.gz BNFLFZBUACHJPR-UHFFFAOYSA-N 0 0 475.282 4.314 50 0 JIAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O)NCc1ccc(Cl)cc1 ZINC000009633306 555336197 /nfs/dbraw/zinc/33/61/97/555336197.db2.gz HWRPZAXJQXPSAU-UHFFFAOYSA-N 0 0 483.307 4.267 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)cc1Br ZINC000009544730 555336503 /nfs/dbraw/zinc/33/65/03/555336503.db2.gz VZLIPGZSPZLQJM-UHFFFAOYSA-N 0 0 476.352 4.296 50 0 JIAARN CCOc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2-c2cccc(C)c2)cc1 ZINC000009633421 555336573 /nfs/dbraw/zinc/33/65/73/555336573.db2.gz GWODNPDBBHDITR-UHFFFAOYSA-N 0 0 470.558 4.496 50 0 JIAARN CCOc1ccc(CCNC(=O)COC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)cc1OCC ZINC000009633791 555337734 /nfs/dbraw/zinc/33/77/34/555337734.db2.gz LIMWRQHTBGDCJS-FYWRMAATSA-N 0 0 491.588 4.202 50 0 JIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)/C=C/c1ccc(Br)o1 ZINC000009633925 555338000 /nfs/dbraw/zinc/33/80/00/555338000.db2.gz KUYJPWOOTPSRIE-SOFGYWHQSA-N 0 0 456.314 4.092 50 0 JIAARN COc1ccc(OC)c([C@@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2CCc2ccccc2)c1 ZINC000009546225 555340646 /nfs/dbraw/zinc/34/06/46/555340646.db2.gz BXMNBBSZMOWDQL-YBFPRZSNSA-N 0 0 450.579 4.237 50 0 JIAARN CCCc1ccc(C(=O)CCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000009634904 555341009 /nfs/dbraw/zinc/34/10/09/555341009.db2.gz UPNLSUORXZFASE-UHFFFAOYSA-N 0 0 472.607 4.424 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)N1CCN(c2ccccc2F)CC1 ZINC000009546618 555342261 /nfs/dbraw/zinc/34/22/61/555342261.db2.gz CYUTUMPHCNPJGA-UHFFFAOYSA-N 0 0 477.565 4.166 50 0 JIAARN Cc1cc(C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N3CCCC3)cn2)c(C)n1Cc1ccco1 ZINC000009546642 555342535 /nfs/dbraw/zinc/34/25/35/555342535.db2.gz MTDIQJZSXJTYFD-GOSISDBHSA-N 0 0 473.620 4.289 50 0 JIAARN COc1ccc(C2=NN(C(=O)CSc3nnc(NC[C@@H]4CCCO4)s3)[C@H](c3ccco3)C2)cc1 ZINC000009546757 555343196 /nfs/dbraw/zinc/34/31/96/555343196.db2.gz HHXFNIRQXHCHLC-HKUYNNGSSA-N 0 0 499.618 4.201 50 0 JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccc(F)cc3)nn2[C@@H]1c1ccncc1 ZINC000009638127 555346407 /nfs/dbraw/zinc/34/64/07/555346407.db2.gz SFHGSEGICRJIMY-JOCHJYFZSA-N 0 0 456.481 4.415 50 0 JIAARN CSCC[C@H](C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)N1C(=O)c2ccccc2C1=O ZINC000013147558 555346415 /nfs/dbraw/zinc/34/64/15/555346415.db2.gz XVCLLYCKRNXAHD-OAQYLSRUSA-N 0 0 489.601 4.028 50 0 JIAARN Cc1c(-c2nsc(NC(=O)c3ccc(Br)cc3)n2)nnn1-c1ccc(C)cc1 ZINC000009638362 555346986 /nfs/dbraw/zinc/34/69/86/555346986.db2.gz SMJLFDQVNIWHDY-UHFFFAOYSA-N 0 0 455.341 4.417 50 0 JIAARN O=C(NCCOc1ccc2ccccc2c1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000009549417 555347361 /nfs/dbraw/zinc/34/73/61/555347361.db2.gz UJZGDEKRCLGECQ-UHFFFAOYSA-N 0 0 479.385 4.396 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccccc3C(C)=O)cc2)cc1 ZINC000013147904 555347552 /nfs/dbraw/zinc/34/75/52/555347552.db2.gz QMZMSHRHNVAHFW-UHFFFAOYSA-N 0 0 482.558 4.131 50 0 JIAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(Br)s3)c2C(=O)OC)C1 ZINC000009639047 555348204 /nfs/dbraw/zinc/34/82/04/555348204.db2.gz ABELKAMCXOYWEP-UHFFFAOYSA-N 0 0 473.370 4.126 50 0 JIAARN CNC(=O)NC(=O)[C@H](C)SC1=N/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1cccc(OC)c1 ZINC000009641054 555351509 /nfs/dbraw/zinc/35/15/09/555351509.db2.gz CTHHULLFDOMLTK-JHDSZEHQSA-N 0 0 480.590 4.140 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)c1 ZINC000009641249 555351738 /nfs/dbraw/zinc/35/17/38/555351738.db2.gz KOYRLOUKSSRCEW-UHFFFAOYSA-N 0 0 457.577 4.296 50 0 JIAARN COc1ccc(C(=O)Oc2c(S(=O)(=O)c3ccccc3)c(C)nn2C(C)(C)C)cc1OC ZINC000009558986 555351942 /nfs/dbraw/zinc/35/19/42/555351942.db2.gz XPUWHQLZTAZKPE-UHFFFAOYSA-N 0 0 458.536 4.016 50 0 JIAARN COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)N(C)Cc3ccccc3)c3ccccc3C(=O)N1CC2 ZINC000009559147 555352929 /nfs/dbraw/zinc/35/29/29/555352929.db2.gz QZCRXOYGFJQJSO-UIOOFZCWSA-N 0 0 456.542 4.199 50 0 JIAARN O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000009641900 555353044 /nfs/dbraw/zinc/35/30/44/555353044.db2.gz QMRJYECNGBGRMV-HHHXNRCGSA-N 0 0 486.597 4.411 50 0 JIAARN C=C1C(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000009641942 555353470 /nfs/dbraw/zinc/35/34/70/555353470.db2.gz ATHBRXJDKYBWMC-UHFFFAOYSA-N 0 0 483.609 4.450 50 0 JIAARN C=C1C(N2CCC(C(=O)NCCc3ccc(C)cc3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000009642057 555353698 /nfs/dbraw/zinc/35/36/98/555353698.db2.gz JPIFETUQGIFLBI-UHFFFAOYSA-N 0 0 486.037 4.192 50 0 JIAARN COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)NCCc3cccc(C)c3)c3ccccc3C(=O)N1CC2 ZINC000009559286 555353755 /nfs/dbraw/zinc/35/37/55/555353755.db2.gz VWGDVDLBUVESPO-SXOMAYOGSA-N 0 0 470.569 4.208 50 0 JIAARN C=C1C(N2CCC(C(=O)NCCc3cccc(C)c3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000009642138 555354068 /nfs/dbraw/zinc/35/40/68/555354068.db2.gz ZALPACUFPZYXIH-UHFFFAOYSA-N 0 0 486.037 4.192 50 0 JIAARN O=C(CSc1ncc(C(F)(F)F)cc1Cl)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000013150063 555354720 /nfs/dbraw/zinc/35/47/20/555354720.db2.gz QCFWMEFXFNZXCE-AWEZNQCLSA-N 0 0 464.918 4.066 50 0 JIAARN C[C@@H](NC(=O)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1)c1ccccc1 ZINC000009559548 555355004 /nfs/dbraw/zinc/35/50/04/555355004.db2.gz WXGHXQZHBMKFBW-HPUBIQBYSA-N 0 0 485.469 4.473 50 0 JIAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1Oc1ccccc1 ZINC000013150163 555355096 /nfs/dbraw/zinc/35/50/96/555355096.db2.gz KSVITWDZDZKRSV-UHFFFAOYSA-N 0 0 472.950 4.406 50 0 JIAARN COc1ccccc1NC(=O)N1CCN(c2nnc(C)c3c(C)n(-c4ccc(C)cc4)nc32)CC1 ZINC000009642491 555355290 /nfs/dbraw/zinc/35/52/90/555355290.db2.gz QRGUPJQUNVACJX-UHFFFAOYSA-N 0 0 471.565 4.103 50 0 JIAARN COC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1ccc(C)cc1 ZINC000009646281 555359433 /nfs/dbraw/zinc/35/94/33/555359433.db2.gz VKCKBPAHIHEFPV-UHFFFAOYSA-N 0 0 478.979 4.331 50 0 JIAARN COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000009646420 555359746 /nfs/dbraw/zinc/35/97/46/555359746.db2.gz BSIBVBPNVVANQP-UHFFFAOYSA-N 0 0 464.996 4.161 50 0 JIAARN O=C(COC(=O)COc1ccc(Br)cc1F)Nc1ccc(Br)cc1F ZINC000009561840 555360814 /nfs/dbraw/zinc/36/08/14/555360814.db2.gz BBMQOEJKUMUTPG-UHFFFAOYSA-N 0 0 479.071 4.051 50 0 JIAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1nc(-c3ccc4c(c3)CCCC4)cs1)C2=O ZINC000009647776 555361667 /nfs/dbraw/zinc/36/16/67/555361667.db2.gz KHOIBSJDIWCMCT-OWJWWREXSA-N 0 0 452.580 4.128 50 0 JIAARN CCCCCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2c1=O ZINC000009562495 555363404 /nfs/dbraw/zinc/36/34/04/555363404.db2.gz DFTRWZVDAFLQTO-UHFFFAOYSA-N 0 0 482.606 4.014 50 0 JIAARN COc1ccc(-n2c(SCC(=O)NCc3ccccc3OC)nnc2[C@H](C)N2CCCCC2)cc1 ZINC000009562724 555364305 /nfs/dbraw/zinc/36/43/05/555364305.db2.gz SOHGAYMAESTTEP-IBGZPJMESA-N 0 0 495.649 4.240 50 0 JIAARN CN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC000013164253 555364352 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O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000015239868 555890452 /nfs/dbraw/zinc/89/04/52/555890452.db2.gz UCKRBWNYUBPTAE-HNNXBMFYSA-N 0 0 487.343 4.001 50 0 JIAARN Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2ccc(F)cc2)cc1 ZINC000012062665 555900284 /nfs/dbraw/zinc/90/02/84/555900284.db2.gz IEHCXDKZNWKREF-UHFFFAOYSA-N 0 0 494.548 4.380 50 0 JIAARN Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1=O ZINC000012072178 555902226 /nfs/dbraw/zinc/90/22/26/555902226.db2.gz OBWFYWLYIUYCQP-UHFFFAOYSA-N 0 0 490.007 4.231 50 0 JIAARN COc1ccc(CCN(C)C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CCC4)c2C)cc1OC ZINC000012078565 555902528 /nfs/dbraw/zinc/90/25/28/555902528.db2.gz ACFUYYUDGLFWEU-UHFFFAOYSA-N 0 0 497.599 4.458 50 0 JIAARN COc1ccc([C@H]2C(=O)N(c3cc(OC)ccc3OC)CC(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000015412632 555904787 /nfs/dbraw/zinc/90/47/87/555904787.db2.gz LVOOKEVLZWSQMP-SANMLTNESA-N 0 0 460.530 4.450 50 0 JIAARN COc1ccc([C@@H]2C(=O)N(c3cc(OC)ccc3OC)CC(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000015412635 555904812 /nfs/dbraw/zinc/90/48/12/555904812.db2.gz LVOOKEVLZWSQMP-AREMUKBSSA-N 0 0 460.530 4.450 50 0 JIAARN COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)C[C@H](C)C3)c2)cc1Cl ZINC000015433858 555908388 /nfs/dbraw/zinc/90/83/88/555908388.db2.gz OAOOBFBMYZYZEU-IYBDPMFKSA-N 0 0 481.014 4.300 50 0 JIAARN COc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1OC ZINC000015463776 555910152 /nfs/dbraw/zinc/91/01/52/555910152.db2.gz ULWITLBWDHQWBS-UHFFFAOYSA-N 0 0 454.548 4.085 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000015473856 555910161 /nfs/dbraw/zinc/91/01/61/555910161.db2.gz QYQRHKQTDXVVFB-UHFFFAOYSA-N 0 0 465.575 4.123 50 0 JIAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 ZINC000012130488 555911730 /nfs/dbraw/zinc/91/17/30/555911730.db2.gz RUJXKEUDZAVXSJ-UHFFFAOYSA-N 0 0 474.348 4.036 50 0 JIAARN COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c(OC)c1 ZINC000015519009 555912784 /nfs/dbraw/zinc/91/27/84/555912784.db2.gz RNSHUWRKYUEDEM-VWLOTQADSA-N 0 0 473.573 4.409 50 0 JIAARN CC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2cc(C)cc(C)c2)SCC3)cc1 ZINC000012140560 555918200 /nfs/dbraw/zinc/91/82/00/555918200.db2.gz IOBTVLMYPXFXDW-UHFFFAOYSA-N 0 0 465.600 4.431 50 0 JIAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cc2c(cc1Br)OCCO2 ZINC000015610186 555918623 /nfs/dbraw/zinc/91/86/23/555918623.db2.gz ASIWIXVOWZTZAO-UHFFFAOYSA-N 0 0 464.703 4.495 50 0 JIAARN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 ZINC000015618387 555919784 /nfs/dbraw/zinc/91/97/84/555919784.db2.gz UHNBQAPYXAGNPR-MRUHUIDDSA-N 0 0 473.620 4.080 50 0 JIAARN Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1)C(C)C ZINC000022321093 555921375 /nfs/dbraw/zinc/92/13/75/555921375.db2.gz UZFYFDZDPXWJAA-XMMPIXPASA-N 0 0 476.646 4.217 50 0 JIAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 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Cc1nc2ncccc2c(=O)n1-c1ccc(F)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000017144113 556225666 /nfs/dbraw/zinc/22/56/66/556225666.db2.gz MJNWFFPZMMWRGZ-UHFFFAOYSA-N 0 0 453.271 4.243 50 0 JIAARN O=S(=O)(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)c1cccc(Cl)c1 ZINC000017150015 556227326 /nfs/dbraw/zinc/22/73/26/556227326.db2.gz AQMYWAFVZHXVIG-UHFFFAOYSA-N 0 0 453.376 4.286 50 0 JIAARN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1OC ZINC000025611735 556227759 /nfs/dbraw/zinc/22/77/59/556227759.db2.gz PKPCUKYJAZIJGZ-QFIPXVFZSA-N 0 0 472.607 4.246 50 0 JIAARN O=c1[nH]c2ccc(Nc3nc(CN4CCOCC4)nc4scc(-c5cccs5)c43)cc2[nH]1 ZINC000025638944 556228394 /nfs/dbraw/zinc/22/83/94/556228394.db2.gz QRYJEBZZABMUNN-UHFFFAOYSA-N 0 0 464.576 4.165 50 0 JIAARN CC(C)CCn1c2ccccc2nc1SCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000025759875 556232471 /nfs/dbraw/zinc/23/24/71/556232471.db2.gz UNTWUONJIJWXTC-IBGZPJMESA-N 0 0 463.669 4.133 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1ccccc1SCC(=O)NC1CC1 ZINC000025780429 556233971 /nfs/dbraw/zinc/23/39/71/556233971.db2.gz PYJCQMHVEYHZSP-AWEZNQCLSA-N 0 0 476.982 4.212 50 0 JIAARN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000013038306 556235709 /nfs/dbraw/zinc/23/57/09/556235709.db2.gz BBJBYQMRHMHJAE-UHFFFAOYSA-N 0 0 498.431 4.066 50 0 JIAARN CC1=C2C(=NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2cccc(C)c2)N(c2ccc(C)cc2)N1 ZINC000013038496 556236832 /nfs/dbraw/zinc/23/68/32/556236832.db2.gz NOXPTFDQPJMQLD-RPBOFIJWSA-N 0 0 450.542 4.423 50 0 JIAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000025818519 556237189 /nfs/dbraw/zinc/23/71/89/556237189.db2.gz LOEOECYBSQHBSP-MRXNPFEDSA-N 0 0 450.969 4.194 50 0 JIAARN O=C(NCc1cccs1)c1cn(Cc2ccc(F)cc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000017192453 556237306 /nfs/dbraw/zinc/23/73/06/556237306.db2.gz UNRZEDRZBJZYOP-UHFFFAOYSA-N 0 0 458.518 4.318 50 0 JIAARN O=C(CSc1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1cccc(C(F)(F)F)c1 ZINC000017200917 556239811 /nfs/dbraw/zinc/23/98/11/556239811.db2.gz XIYFUSIKSMGKTD-UHFFFAOYSA-N 0 0 477.508 4.250 50 0 JIAARN CC1CCN(Cc2nc3sc4c(c3c(N3CCN(c5ccccc5O)CC3)n2)CCC4)CC1 ZINC000013040358 556243282 /nfs/dbraw/zinc/24/32/82/556243282.db2.gz CYMDNUIHDQCURD-UHFFFAOYSA-N 0 0 463.651 4.444 50 0 JIAARN Cc1c(C(=O)N2C[C@@H](C(=O)N(C)C)Oc3ccccc32)sc2nc(-c3ccco3)nc(C)c12 ZINC000026111352 556243264 /nfs/dbraw/zinc/24/32/64/556243264.db2.gz QPNGYKCNFDYKQX-SFHVURJKSA-N 0 0 462.531 4.064 50 0 JIAARN COc1cccc(-c2nnn(-c3nc(CN4CCC(C)CC4)nc4sc5c(c43)CCC5)n2)c1 ZINC000013040605 556244162 /nfs/dbraw/zinc/24/41/62/556244162.db2.gz DEYGAXCUJDIWTI-UHFFFAOYSA-N 0 0 461.595 4.063 50 0 JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccc(OC)c(OC)c3)nn2[C@H]1c1ccccn1 ZINC000017243524 556244414 /nfs/dbraw/zinc/24/44/14/556244414.db2.gz FOGAHGZETFZSNS-DEOSSOPVSA-N 0 0 498.543 4.294 50 0 JIAARN Cc1c(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)sc2[nH]c(C)nc(=O)c12 ZINC000013040825 556244706 /nfs/dbraw/zinc/24/47/06/556244706.db2.gz MSJXQPCFVOYANZ-UHFFFAOYSA-N 0 0 460.726 4.357 50 0 JIAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C1 ZINC000017244566 556245310 /nfs/dbraw/zinc/24/53/10/556245310.db2.gz VQOQCPJIEANXSR-HUUCEWRRSA-N 0 0 451.386 4.368 50 0 JIAARN CCOC(=O)c1c(NC(=O)[C@H](C)N(C)CC(=O)Nc2ccc(C)cc2)sc2c1CC[C@H](C)C2 ZINC000013041079 556245673 /nfs/dbraw/zinc/24/56/73/556245673.db2.gz YSWMXOVTOLYOOS-IRXDYDNUSA-N 0 0 471.623 4.256 50 0 JIAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 ZINC000017248329 556247596 /nfs/dbraw/zinc/24/75/96/556247596.db2.gz MUFSMWVFYMGSRG-UHFFFAOYSA-N 0 0 463.559 4.429 50 0 JIAARN CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2)c1 ZINC000013042090 556248356 /nfs/dbraw/zinc/24/83/56/556248356.db2.gz JIHBGAZXGBQMBQ-NSHGMRRFSA-N 0 0 480.561 4.242 50 0 JIAARN CCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 ZINC000026121741 556249464 /nfs/dbraw/zinc/24/94/64/556249464.db2.gz XMTHKHAWZCGRHO-UHFFFAOYSA-N 0 0 450.583 4.203 50 0 JIAARN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)OCCCn1c(=O)[nH]c2ccccc21 ZINC000017273103 556250179 /nfs/dbraw/zinc/25/01/79/556250179.db2.gz USKMOCLSAGTRSS-UHFFFAOYSA-N 0 0 457.939 4.195 50 0 JIAARN Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(CCC(N)=O)n2CC(C)C)c2ccccc2)c1 ZINC000017274371 556250281 /nfs/dbraw/zinc/25/02/81/556250281.db2.gz HVNPJRNHMDAPIE-QHCPKHFHSA-N 0 0 465.623 4.441 50 0 JIAARN O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000026242178 556251154 /nfs/dbraw/zinc/25/11/54/556251154.db2.gz CNGDRAJNKXDYJS-GOSISDBHSA-N 0 0 469.891 4.274 50 0 JIAARN CCOC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1-c1cc(OC)ccc1OC ZINC000017296782 556251752 /nfs/dbraw/zinc/25/17/52/556251752.db2.gz GNCNGDKATDFYJB-AWEZNQCLSA-N 0 0 452.536 4.477 50 0 JIAARN CCOC(=O)C1CCN([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000017296949 556252117 /nfs/dbraw/zinc/25/21/17/556252117.db2.gz CMYZNCSOBWFAMB-SANMLTNESA-N 0 0 478.564 4.414 50 0 JIAARN CCOC(=O)C1CCN([C@H](c2ccc(F)cc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000017296927 556252174 /nfs/dbraw/zinc/25/21/74/556252174.db2.gz ATZIOCGIMVAHPV-AREMUKBSSA-N 0 0 478.564 4.414 50 0 JIAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000017306051 556253661 /nfs/dbraw/zinc/25/36/61/556253661.db2.gz MAKUJGOMZSLTNY-IBGZPJMESA-N 0 0 454.534 4.151 50 0 JIAARN CCOc1ccc(CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)cc1 ZINC000017307653 556255392 /nfs/dbraw/zinc/25/53/92/556255392.db2.gz ZUWJGXWPPBNOOD-UHFFFAOYSA-N 0 0 450.560 4.408 50 0 JIAARN CCOc1ccc(C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1OCC ZINC000017315476 556257433 /nfs/dbraw/zinc/25/74/33/556257433.db2.gz KOJRIXGXDDNYQW-UHFFFAOYSA-N 0 0 454.527 4.367 50 0 JIAARN CCOc1ccc(C(=O)N2CCN(c3nc(C)cc(Nc4ccc(OC)cc4)n3)CC2)cc1OCC ZINC000017315439 556257449 /nfs/dbraw/zinc/25/74/49/556257449.db2.gz BTQRSDLMNWDRJN-UHFFFAOYSA-N 0 0 491.592 4.297 50 0 JIAARN O=C(c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000017358067 556259683 /nfs/dbraw/zinc/25/96/83/556259683.db2.gz SRPIXQJWIGHOAH-UHFFFAOYSA-N 0 0 487.984 4.238 50 0 JIAARN CCOc1ccccc1NC(=O)COC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000013063363 556259785 /nfs/dbraw/zinc/25/97/85/556259785.db2.gz UQPATUTWJPHNDF-RTBURBONSA-N 0 0 468.550 4.049 50 0 JIAARN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)c(OC)c1 ZINC000026771887 556261153 /nfs/dbraw/zinc/26/11/53/556261153.db2.gz UWAISZMPTIQGJB-MBWLVOMUSA-N 0 0 465.546 4.341 50 0 biogenic JIAARN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000013069866 556266756 /nfs/dbraw/zinc/26/67/56/556266756.db2.gz XKFUGVLTXVOBAG-UHFFFAOYSA-N 0 0 472.504 4.438 50 0 JIAARN O=C(CCCN1C(=O)c2ccccc2C1=O)Oc1ccccc1C(=O)c1cnn(-c2ccccc2)c1 ZINC000013069818 556266796 /nfs/dbraw/zinc/26/67/96/556266796.db2.gz OMEZRUOUTSDOJP-UHFFFAOYSA-N 0 0 479.492 4.085 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(C)cc2)cc1 ZINC000026964798 556267258 /nfs/dbraw/zinc/26/72/58/556267258.db2.gz UVBASXJMTJLEPP-QHCPKHFHSA-N 0 0 471.513 4.168 50 0 JIAARN Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cccc(NS(=O)(=O)c3cc(F)ccc3C)c2)c1 ZINC000013070411 556267810 /nfs/dbraw/zinc/26/78/10/556267810.db2.gz ADWUDWPHNBISAB-KRWDZBQOSA-N 0 0 470.522 4.427 50 0 JIAARN Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000017828610 556267965 /nfs/dbraw/zinc/26/79/65/556267965.db2.gz VLPBGTMUOURBEQ-UHFFFAOYSA-N 0 0 453.911 4.148 50 0 JIAARN CCCn1c(CCC(=O)Nc2ccc(C)c(C)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000013070628 556268022 /nfs/dbraw/zinc/26/80/22/556268022.db2.gz IRTLSRIHPGJWIS-UHFFFAOYSA-N 0 0 468.623 4.419 50 0 JIAARN CN(C)[C@H](CNc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)c1ccccc1Cl ZINC000013072920 556272097 /nfs/dbraw/zinc/27/20/97/556272097.db2.gz MFBMNTNNAGQKQJ-LJQANCHMSA-N 0 0 472.058 4.380 50 0 JIAARN C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Br)cc4)c3)C(=O)[C@@H]2C1 ZINC000017986755 556274241 /nfs/dbraw/zinc/27/42/41/556274241.db2.gz VIJKHAXQSPYMBB-JSNMRZPZSA-N 0 0 484.346 4.414 50 0 JIAARN Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)c1 ZINC000013074341 556275314 /nfs/dbraw/zinc/27/53/14/556275314.db2.gz QFPUIFJSQBLVSE-KRWDZBQOSA-N 0 0 470.522 4.427 50 0 JIAARN CC(C)(C)c1ccc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)cc1 ZINC000018005560 556275360 /nfs/dbraw/zinc/27/53/60/556275360.db2.gz FMBUFUGTVGSATF-UHFFFAOYSA-N 0 0 464.635 4.119 50 0 JIAARN Cc1ccccc1-n1c(SCC(=O)NCCCN(C)c2ccccc2)nnc1-c1ccncc1 ZINC000027211978 556275418 /nfs/dbraw/zinc/27/54/18/556275418.db2.gz PHIFZJYDCJXOMY-UHFFFAOYSA-N 0 0 472.618 4.373 50 0 JIAARN O=C(c1cccc(Cl)c1Cl)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000018005588 556275437 /nfs/dbraw/zinc/27/54/37/556275437.db2.gz SYCDODWVJAUPEJ-UHFFFAOYSA-N 0 0 477.417 4.128 50 0 JIAARN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013075077 556276535 /nfs/dbraw/zinc/27/65/35/556276535.db2.gz PEUBLJNFPSLTJP-SFHVURJKSA-N 0 0 493.796 4.132 50 0 JIAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cs1 ZINC000027365259 556277243 /nfs/dbraw/zinc/27/72/43/556277243.db2.gz AZVZJMMPBCCRIU-KRWDZBQOSA-N 0 0 458.591 4.281 50 0 JIAARN COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N(C)CC(=O)NCc2ccco2)cc1 ZINC000027389012 556277706 /nfs/dbraw/zinc/27/77/06/556277706.db2.gz PYQAGTHYFBVGLR-UHFFFAOYSA-N 0 0 463.509 4.283 50 0 JIAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000027393333 556277796 /nfs/dbraw/zinc/27/77/96/556277796.db2.gz LYPLEUWARGQMNB-QFIPXVFZSA-N 0 0 470.525 4.351 50 0 JIAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c(=O)n(-c2ccccc2)n1C ZINC000018026171 556277909 /nfs/dbraw/zinc/27/79/09/556277909.db2.gz KZLUFXHLLJXGJS-QGZVFWFLSA-N 0 0 494.548 4.015 50 0 JIAARN O=C1OC(c2ccccc2Br)=N/C1=C\c1ccccc1I ZINC000027500281 556281367 /nfs/dbraw/zinc/28/13/67/556281367.db2.gz YGBKLHQBDLJVHZ-ZROIWOOFSA-N 0 0 454.061 4.398 50 0 JIAARN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4N=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000018069042 556283534 /nfs/dbraw/zinc/28/35/34/556283534.db2.gz JEGTUJBVFWWZPX-LIONHTAISA-N 0 0 497.938 4.304 50 0 JIAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000018101051 556287730 /nfs/dbraw/zinc/28/77/30/556287730.db2.gz QBDDFGGAIVCOHJ-ZRBLBEILSA-N 0 0 464.905 4.408 50 0 JIAARN O=C(Nc1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)ccc1Cl)c1cccs1 ZINC000018121534 556290857 /nfs/dbraw/zinc/29/08/57/556290857.db2.gz WQOMCZHSTJYMRA-UHFFFAOYSA-N 0 0 469.994 4.491 50 0 JIAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)N4CCC(C(=O)N(C)C)CC4)cc3)sc2c1 ZINC000013096826 556291738 /nfs/dbraw/zinc/29/17/38/556291738.db2.gz YTFYYNLUTFVJSS-QGZVFWFLSA-N 0 0 450.608 4.399 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000013097134 556292966 /nfs/dbraw/zinc/29/29/66/556292966.db2.gz LWXUYORIGRHKIC-NRFANRHFSA-N 0 0 486.663 4.411 50 0 JIAARN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000027542541 556294608 /nfs/dbraw/zinc/29/46/08/556294608.db2.gz FCKMVSVWFOELGM-INIZCTEOSA-N 0 0 455.908 4.382 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN3CCC[C@H](C(=O)Nc4ccccc4)C3)[C@@H](c3ccco3)C2)cc1 ZINC000027570758 556298162 /nfs/dbraw/zinc/29/81/62/556298162.db2.gz NKSXJLAMASCYPH-SQJMNOBHSA-N 0 0 486.572 4.317 50 0 JIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000013099399 556299264 /nfs/dbraw/zinc/29/92/64/556299264.db2.gz NQXYLBNAKZWHRH-ZDUSSCGKSA-N 0 0 451.470 4.134 50 0 JIAARN CS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccco2)c(C(=O)Nc2cccc(Cl)c2)n1 ZINC000027661990 556301706 /nfs/dbraw/zinc/30/17/06/556301706.db2.gz IPVMCEAMEVDJJW-UHFFFAOYSA-N 0 0 486.937 4.179 50 0 JIAARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)no2)cc1 ZINC000027662849 556302377 /nfs/dbraw/zinc/30/23/77/556302377.db2.gz UVVVOJKCONJHNW-MRXNPFEDSA-N 0 0 451.548 4.361 50 0 JIAARN Cc1cc(C)n2nc(SCC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)nc2n1 ZINC000013102054 556302917 /nfs/dbraw/zinc/30/29/17/556302917.db2.gz DUMUWGNOVAPGGE-UHFFFAOYSA-N 0 0 451.939 4.356 50 0 JIAARN C[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000027745269 556305030 /nfs/dbraw/zinc/30/50/30/556305030.db2.gz YCOGKDYXQNMTFL-VQIMIIECSA-N 0 0 475.513 4.208 50 0 JIAARN O=C(COc1cccc2ccccc21)Nc1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1 ZINC000018199946 556307304 /nfs/dbraw/zinc/30/73/04/556307304.db2.gz RLLVYLPFMCVHNY-UHFFFAOYSA-N 0 0 474.538 4.019 50 0 JIAARN CCc1cccc(C)c1Nc1nnc(SCC(=O)NCc2ccccc2CN2CCOCC2)s1 ZINC000027843077 556309150 /nfs/dbraw/zinc/30/91/50/556309150.db2.gz PDALGTJDMHRNSV-UHFFFAOYSA-N 0 0 497.690 4.393 50 0 JIAARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C(F)(F)F)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000018203123 556309361 /nfs/dbraw/zinc/30/93/61/556309361.db2.gz CKZAHMJDNFJSRR-VSKRKVRLSA-N 0 0 484.430 4.471 50 0 JIAARN Cc1nn(C)c(C)c1NC(=O)CN1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000027904020 556309531 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CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000032853776 556511268 /nfs/dbraw/zinc/51/12/68/556511268.db2.gz CGYBSQYLNDJXOU-HSZRJFAPSA-N 0 0 472.532 4.119 50 0 JIAARN COc1ccc2cc([C@H](C)C(=O)N(C)CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)ccc2c1 ZINC000032859831 556514338 /nfs/dbraw/zinc/51/43/38/556514338.db2.gz BSDZVHZPOYIZKK-MSOLQXFVSA-N 0 0 459.546 4.174 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)cc1 ZINC000032863739 556515254 /nfs/dbraw/zinc/51/52/54/556515254.db2.gz IWTOPPMFLOOGGS-PXNSSMCTSA-N 0 0 492.592 4.353 50 0 JIAARN Cc1nc2cc(NC(=O)c3sccc3S(=O)(=O)N3CCc4ccccc4C3)ccc2o1 ZINC000032869023 556517011 /nfs/dbraw/zinc/51/70/11/556517011.db2.gz AVYIARMUKGPJTC-UHFFFAOYSA-N 0 0 453.545 4.197 50 0 JIAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1nncn1Cc1ccco1 ZINC000032869315 556517232 /nfs/dbraw/zinc/51/72/32/556517232.db2.gz KKSLYNYXZHWKOC-UHFFFAOYSA-N 0 0 458.521 4.148 50 0 JIAARN COc1ccc(OC)c([C@@H](C)NC(=O)COC(=O)c2cc(-c3ccccc3)nc3onc(C)c32)c1 ZINC000032869692 556517482 /nfs/dbraw/zinc/51/74/82/556517482.db2.gz FWEWWZPAUQDLDM-OAHLLOKOSA-N 0 0 475.501 4.250 50 0 JIAARN COc1ccc(OCCN(C)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000032879885 556520903 /nfs/dbraw/zinc/52/09/03/556520903.db2.gz OYQYPLIEBBNIHC-UHFFFAOYSA-N 0 0 464.484 4.104 50 0 JIAARN COc1ccc(-c2nc(CSc3nnc(-c4cccs4)n3CCC(N)=O)cs2)cc1OC ZINC000032895056 556525163 /nfs/dbraw/zinc/52/51/63/556525163.db2.gz GDRGHQZBEOIJNL-UHFFFAOYSA-N 0 0 487.632 4.315 50 0 JIAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1nn(-c2cccc(C(F)(F)F)c2)cc1OC ZINC000032895846 556525665 /nfs/dbraw/zinc/52/56/65/556525665.db2.gz UJHLOSFPIBNISG-UHFFFAOYSA-N 0 0 494.901 4.332 50 0 JIAARN O=C(NCCCN1CCCCCC1=O)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000032905484 556530791 /nfs/dbraw/zinc/53/07/91/556530791.db2.gz DRIGHQQRWOZIKB-UHFFFAOYSA-N 0 0 457.368 4.203 50 0 JIAARN CCCCCCn1nc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)c2ccccc2c1=O ZINC000032910820 556534983 /nfs/dbraw/zinc/53/49/83/556534983.db2.gz DZNHNGVEYODAGD-IBGZPJMESA-N 0 0 461.562 4.107 50 0 JIAARN COc1ccc2[nH]c(SCC(=O)Nc3nc(-c4ccc(OC)cc4OC)cs3)nc2c1 ZINC000032911000 556535570 /nfs/dbraw/zinc/53/55/70/556535570.db2.gz MWWCNXSMGQBMHS-UHFFFAOYSA-N 0 0 456.549 4.443 50 0 JIAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000032912095 556536680 /nfs/dbraw/zinc/53/66/80/556536680.db2.gz AETTZLJOSCLWSU-UHFFFAOYSA-N 0 0 466.532 4.060 50 0 JIAARN COc1ccncc1NC(=O)C1=C(C)Nc2nc(-c3cccc(Cl)c3)nn2[C@H]1c1ccncc1 ZINC000032912763 556537248 /nfs/dbraw/zinc/53/72/48/556537248.db2.gz BFLNOSYGHQKUJJ-NRFANRHFSA-N 0 0 473.924 4.325 50 0 JIAARN CCOC(=O)COc1ccc([C@@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1OC ZINC000032916604 556540670 /nfs/dbraw/zinc/54/06/70/556540670.db2.gz YKXBHBSKEOQOIV-GFCCVEGCSA-N 0 0 495.903 4.349 50 0 JIAARN COc1cc(-c2cc(NC(=O)c3noc4c3COc3ccc(C)cc3-4)on2)cc(OC)c1OC ZINC000032920483 556541047 /nfs/dbraw/zinc/54/10/47/556541047.db2.gz OVUHTLHLOUBPHP-UHFFFAOYSA-N 0 0 463.446 4.476 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(COCc4ccccc4)cc3)C2)s1 ZINC000032925083 556542012 /nfs/dbraw/zinc/54/20/12/556542012.db2.gz RVGJTBNQTGLKLU-XMMPIXPASA-N 0 0 498.670 4.490 50 0 JIAARN C[C@H](NC(=O)CSc1nc2ncccc2c(=O)n1C[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000032927135 556544253 /nfs/dbraw/zinc/54/42/53/556544253.db2.gz LLRQJLRDOOHTRU-LAUBAEHRSA-N 0 0 474.586 4.093 50 0 JIAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)N[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000032928077 556545225 /nfs/dbraw/zinc/54/52/25/556545225.db2.gz RTBUAMWNDGKVLB-CQSZACIVSA-N 0 0 469.592 4.042 50 0 JIAARN O=C(Nc1ccc(F)c(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1)C1CCC1 ZINC000032931700 556546618 /nfs/dbraw/zinc/54/66/18/556546618.db2.gz DWJIVJHVLHNRFF-UHFFFAOYSA-N 0 0 488.562 4.149 50 0 JIAARN COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cs2)cc1 ZINC000032931688 556546716 /nfs/dbraw/zinc/54/67/16/556546716.db2.gz GXNKZEFPLJYXPN-UHFFFAOYSA-N 0 0 499.614 4.414 50 0 JIAARN Cc1nc2nc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccco3)nn2c(C)c1C ZINC000032936542 556551542 /nfs/dbraw/zinc/55/15/42/556551542.db2.gz QUBPAZPXYXCCRF-INIZCTEOSA-N 0 0 452.565 4.174 50 0 JIAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2F)C1 ZINC000032944110 556556669 /nfs/dbraw/zinc/55/66/69/556556669.db2.gz IMYLQPCDYOJTTI-HHNLSAEISA-N 0 0 487.528 4.471 50 0 JIAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)c2)C1 ZINC000032944111 556556725 /nfs/dbraw/zinc/55/67/25/556556725.db2.gz ZCPWRSHYLWWFSR-IENJSVCTSA-N 0 0 487.528 4.471 50 0 JIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)n2c(=O)c(C(F)(F)F)nc3ccccc32)CC1 ZINC000032944787 556559121 /nfs/dbraw/zinc/55/91/21/556559121.db2.gz UDYNGTOXBCFPCJ-OAHLLOKOSA-N 0 0 478.902 4.287 50 0 JIAARN COc1ccc(Br)cc1CNC(=O)[C@H](C)n1c(=O)c(C(F)(F)F)nc2ccccc21 ZINC000032944889 556559396 /nfs/dbraw/zinc/55/93/96/556559396.db2.gz JFOWGTITLUXCED-NSHDSACASA-N 0 0 484.272 4.064 50 0 JIAARN COc1ccc(Nc2nc(COC(=O)c3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)cs2)cc1 ZINC000032946385 556561319 /nfs/dbraw/zinc/56/13/19/556561319.db2.gz XGVAFADWOBZIAD-IBGZPJMESA-N 0 0 493.541 4.027 50 0 JIAARN O=C(Nc1cccc(Br)c1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000032949474 556565175 /nfs/dbraw/zinc/56/51/75/556565175.db2.gz TUMDIWRZDNVOMJ-KRWDZBQOSA-N 0 0 457.777 4.284 50 0 JIAARN Cc1ccc(-c2nnc3ccccc3c2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000032952908 556568240 /nfs/dbraw/zinc/56/82/40/556568240.db2.gz AXPISQMBMSLSLW-UHFFFAOYSA-N 0 0 466.541 4.292 50 0 JIAARN O=C(CSC1=Nc2ccccc2[C@@H]2CC=NN12)Nc1ccc(I)cc1 ZINC000032957664 556570889 /nfs/dbraw/zinc/57/08/89/556570889.db2.gz QJJRVMDVPMLNDF-INIZCTEOSA-N 0 0 462.316 4.397 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000032957848 556571720 /nfs/dbraw/zinc/57/17/20/556571720.db2.gz BMNVGRJKIPVIJE-UHFFFAOYSA-N 0 0 484.618 4.100 50 0 JIAARN COc1ccc(Br)cc1CNC(=O)Cn1c2ccccc2nc1C(=O)c1cccc(F)c1 ZINC000032959202 556575841 /nfs/dbraw/zinc/57/58/41/556575841.db2.gz AVBNLYRENWHWOO-UHFFFAOYSA-N 0 0 496.336 4.494 50 0 JIAARN Cc1oc2nc(C)nc(N3CCC[C@H](C(=O)NCc4cccc(Br)c4)C3)c2c1C ZINC000032960400 556576975 /nfs/dbraw/zinc/57/69/75/556576975.db2.gz XRIBSLSKXIBIQJ-KRWDZBQOSA-N 0 0 457.372 4.443 50 0 JIAARN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000032960708 556577192 /nfs/dbraw/zinc/57/71/92/556577192.db2.gz DABCMNZJKCEEQQ-UHFFFAOYSA-N 0 0 452.514 4.363 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3cc4c(cc3cc(CNc3ccccc3)c2=O)OCCO4)cc1 ZINC000008583774 562940405 /nfs/dbraw/zinc/94/04/05/562940405.db2.gz DAIPLDAPTCKTAQ-UHFFFAOYSA-N 0 0 455.514 4.332 50 0 aggregator JIAARN Cc1cc2c(cc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCC(=O)N2 ZINC000008583970 562940547 /nfs/dbraw/zinc/94/05/47/562940547.db2.gz CBPJFPIVAIFMBD-UHFFFAOYSA-N 0 0 454.348 4.164 50 0 JIAARN COc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)c1 ZINC000008588810 562941646 /nfs/dbraw/zinc/94/16/46/562941646.db2.gz YKVBZXQYHHAIEH-HSZRJFAPSA-N 0 0 476.558 4.030 50 0 JIAARN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1F ZINC000008588852 562941699 /nfs/dbraw/zinc/94/16/99/562941699.db2.gz KHEHJDIHTJIXGC-HSZRJFAPSA-N 0 0 478.549 4.469 50 0 JIAARN CCOc1cc(CNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)ccc1OC ZINC000008589081 562941841 /nfs/dbraw/zinc/94/18/41/562941841.db2.gz RLIAJDDMQJSSFO-UHFFFAOYSA-N 0 0 482.540 4.035 50 0 JIAARN CC1CCN(C(=O)Cn2cc(SCC(=O)NCc3ccc(F)cc3)c3ccccc32)CC1 ZINC000008589570 562942191 /nfs/dbraw/zinc/94/21/91/562942191.db2.gz CWWQJLCPCSZHRQ-UHFFFAOYSA-N 0 0 453.583 4.447 50 0 JIAARN CCOc1cc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)Nc3nc(SC)nn32)ccc1O ZINC000008592393 562943184 /nfs/dbraw/zinc/94/31/84/562943184.db2.gz VQBIJMRTGBGMNG-HXUWFJFHSA-N 0 0 467.551 4.041 50 0 JIAARN O=C(CN1c2ccccc2[C@@]2(SCC(=O)N2c2cccc(Cl)c2)C1=O)NC1CCCCC1 ZINC000008595758 562944090 /nfs/dbraw/zinc/94/40/90/562944090.db2.gz VPLKJQUSIWTHHW-XMMPIXPASA-N 0 0 469.994 4.068 50 0 JIAARN COc1cccc(NC(=O)CN2c3ccccc3[C@@]3(SCC(=O)N3c3cc(C)cc(C)c3)C2=O)c1 ZINC000008595708 562944123 /nfs/dbraw/zinc/94/41/23/562944123.db2.gz NPGZXADREBYMDD-HHHXNRCGSA-N 0 0 487.581 4.230 50 0 aggregator JIAARN CC(C)c1ccc(N2C(=O)CS(=O)(=O)[C@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)cc1 ZINC000008597706 562944743 /nfs/dbraw/zinc/94/47/43/562944743.db2.gz ZYGYAUYBZQUPEF-SANMLTNESA-N 0 0 478.545 4.110 50 0 JIAARN COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000008603627 562945988 /nfs/dbraw/zinc/94/59/88/562945988.db2.gz KOQPKRHUWNJPAL-UHFFFAOYSA-N 0 0 496.972 4.443 50 0 JIAARN COc1cccc(-n2c(=O)c3sc4ccccc4c3n(CC(=O)Nc3ccccc3OC)c2=O)c1 ZINC000008604019 562946182 /nfs/dbraw/zinc/94/61/82/562946182.db2.gz HCQOFUCHYMOFOO-UHFFFAOYSA-N 0 0 487.537 4.023 50 0 JIAARN Cc1cccc(-c2nnn3c2nc(NCCc2ccc(S(N)(=O)=O)cc2)c2cc(Cl)ccc23)c1 ZINC000008603980 562946186 /nfs/dbraw/zinc/94/61/86/562946186.db2.gz HOQQMOSTPUDYSE-UHFFFAOYSA-N 0 0 492.992 4.208 50 0 JIAARN CCOC(=O)c1sc(NC(=O)c2c(=O)n(C)nc(-c3ccccc3)c2-c2ccccc2)nc1C ZINC000008613949 562948070 /nfs/dbraw/zinc/94/80/70/562948070.db2.gz GAHXUWBQXFSULF-UHFFFAOYSA-N 0 0 474.542 4.308 50 0 JIAARN CCCCCCC1CCC(C(=O)N[C@H](CCSC)C(=O)N[C@H](C(=O)OC)C(C)C)CC1 ZINC000008680323 562950879 /nfs/dbraw/zinc/95/08/79/562950879.db2.gz SMQPAEVPLGVHHX-VFUGHAIPSA-N 0 0 456.693 4.315 50 0 JIAARN CCCCCCC1CCC(C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(=O)OC)C(C)C)CC1 ZINC000008680324 562950893 /nfs/dbraw/zinc/95/08/93/562950893.db2.gz SMQPAEVPLGVHHX-NSKBAKJYSA-N 0 0 456.693 4.315 50 0 JIAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(C(=O)OCC)c1C ZINC000008681002 562951146 /nfs/dbraw/zinc/95/11/46/562951146.db2.gz IJCKQYGAOPQCEG-UHFFFAOYSA-N 0 0 489.575 4.115 50 0 JIAARN COc1ccc(O[C@@H]2C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008682455 562951438 /nfs/dbraw/zinc/95/14/38/562951438.db2.gz OYFLOFYTGNQJKM-NOZRDPDXSA-N 0 0 467.493 4.391 50 0 JIAARN O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008683792 562951854 /nfs/dbraw/zinc/95/18/54/562951854.db2.gz LKRFPEPOHWCGGW-UHFFFAOYSA-N 0 0 451.592 4.151 50 0 aggregator JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(O)cc2)c1 ZINC000008692471 562954333 /nfs/dbraw/zinc/95/43/33/562954333.db2.gz FUOOUXJDJYEGHI-UHFFFAOYSA-N 0 0 488.949 4.056 50 0 JIAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CCCCC1 ZINC000008692873 562954407 /nfs/dbraw/zinc/95/44/07/562954407.db2.gz GHHDXBLHUJRSTK-UHFFFAOYSA-N 0 0 454.514 4.345 50 0 JIAARN Cc1ccccc1[C@]1(CC(=O)N2CCC[C@H]2c2nccs2)CC(=O)N(C2CCCC2)C1=O ZINC000011995638 562958242 /nfs/dbraw/zinc/95/82/42/562958242.db2.gz UZKCPJHSZHXLQI-CPJSRVTESA-N 0 0 451.592 4.145 50 0 JIAARN COc1ccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000032966647 563109905 /nfs/dbraw/zinc/10/99/05/563109905.db2.gz ZLXZGTUBBCGFSZ-UHFFFAOYSA-N 0 0 458.493 4.398 50 0 JIAARN Cc1cccc(C)c1NC(=O)COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000033744019 563110774 /nfs/dbraw/zinc/11/07/74/563110774.db2.gz VFFGRYWUCHXAGC-UHFFFAOYSA-N 0 0 488.949 4.259 50 0 JIAARN CCCCCCNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(CC)cc3)cc2c1O ZINC000006181243 569588518 /nfs/dbraw/zinc/58/85/18/569588518.db2.gz NGSJBPUMZUKAIA-UHFFFAOYSA-N 0 0 469.607 4.226 50 0 JIAARN CCCCCCNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3cc(C)ccc3C)cc2c1O ZINC000006181307 569588526 /nfs/dbraw/zinc/58/85/26/569588526.db2.gz LWYOSZCYJFNYAE-UHFFFAOYSA-N 0 0 469.607 4.280 50 0 JIAARN C[C@@]1(O)CC(=O)[C@@H](C(=O)OCc2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)OCc1ccccc1 ZINC000008438712 569589701 /nfs/dbraw/zinc/58/97/01/569589701.db2.gz BJFJOFPCYFADAC-YIPGRGJBSA-N 0 0 472.537 4.213 50 0 JIAARN COC(=O)[C@H]1[C@H](C(=O)OC)[C@@]2(c3ccccc3)S[C@]1(c1ccccc1)c1nc3ccccc3n12 ZINC000008438819 569589722 /nfs/dbraw/zinc/58/97/22/569589722.db2.gz RFMZGXPWULSGJC-PDMAMLTQSA-N 0 0 470.550 4.320 50 0 JIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)n[nH]2)c(O)c1 ZINC000008556833 569591986 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O=C(CSCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCc1ccccc1F ZINC000032987133 569609288 /nfs/dbraw/zinc/60/92/88/569609288.db2.gz QPKZIORCEBSNQL-UHFFFAOYSA-N 0 0 450.948 4.133 50 0 JIAARN COc1ccc(CNC(=O)CSCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000032987117 569609301 /nfs/dbraw/zinc/60/93/01/569609301.db2.gz PONOBNNWGGJMQO-UHFFFAOYSA-N 0 0 462.984 4.002 50 0 JIAARN COc1cc(OC)c(N2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC2=O)cc1Cl ZINC000032994792 569610139 /nfs/dbraw/zinc/61/01/39/569610139.db2.gz LNCSERALAUFMNY-ZDUSSCGKSA-N 0 0 456.848 4.045 50 0 JIAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)Nc1ccc(Cn3cncn3)cc1)COC2=O ZINC000062001327 569610158 /nfs/dbraw/zinc/61/01/58/569610158.db2.gz FAXGAQCDIOHDHB-YAXRCOADSA-N 0 0 490.560 4.230 50 0 biogenic JIAARN COc1ccccc1CCNC(=O)CC/C(C)=C/Cc1c(OC)c2c(c(C)c1OC)COC2=O ZINC000062001671 569610206 /nfs/dbraw/zinc/61/02/06/569610206.db2.gz SYGZIMCVTMNLQZ-LICLKQGHSA-N 0 0 467.562 4.319 50 0 biogenic JIAARN COc1ccc(-c2nn3c(nc(CNC(=O)Nc4ccccc4C(F)(F)F)cc3=O)s2)cc1 ZINC000032996102 569610479 /nfs/dbraw/zinc/61/04/79/569610479.db2.gz IJBJGDQSMZRCTQ-UHFFFAOYSA-N 0 0 475.452 4.167 50 0 JIAARN Cc1ccc(NC(=O)N[C@H](C)COCC(F)(F)F)cc1NC(=O)N[C@H](C)COCC(F)(F)F ZINC000062569528 569611317 /nfs/dbraw/zinc/61/13/17/569611317.db2.gz GMGJATGWIVIBMH-CHWSQXEVSA-N 0 0 488.429 4.173 50 0 JIAARN Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3nc4c(s3)CN(C)CC4)[C@H]2c2cccs2)cc1 ZINC000032997966 569611891 /nfs/dbraw/zinc/61/18/91/569611891.db2.gz LLLHCPIGCODPSN-KKSFZXQISA-N 0 0 452.605 4.234 50 0 JIAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000062588298 569612196 /nfs/dbraw/zinc/61/21/96/569612196.db2.gz XRTLCOUQIRFZAV-UHFFFAOYSA-N 0 0 496.615 4.358 50 0 JIAARN COc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)n2)cc1 ZINC000032998856 569613058 /nfs/dbraw/zinc/61/30/58/569613058.db2.gz XBPKOZQBMZPONI-UHFFFAOYSA-N 0 0 487.537 4.051 50 0 JIAARN CCN1CCN(C(=O)c2sc(-n3nc(C)c(Cc4ccc(Cl)cc4)c3C)nc2C)CC1 ZINC000033000024 569613864 /nfs/dbraw/zinc/61/38/64/569613864.db2.gz SBJCJQAUESNKDX-UHFFFAOYSA-N 0 0 458.031 4.276 50 0 JIAARN Cc1ccc(C)n1CCCOC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000062639888 569613995 /nfs/dbraw/zinc/61/39/95/569613995.db2.gz DMMHKHUPCWYIIM-UHFFFAOYSA-N 0 0 472.529 4.158 50 0 JIAARN CC[C@H](C)N(Cc1nc(N)nc(Nc2ccccc2C)n1)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC000062669711 569614123 /nfs/dbraw/zinc/61/41/23/569614123.db2.gz GHFHULOFJRESAL-SFHVURJKSA-N 0 0 499.627 4.126 50 0 JIAARN CCn1c(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000062681091 569614308 /nfs/dbraw/zinc/61/43/08/569614308.db2.gz ODCOWOVLZRLFHB-HNNXBMFYSA-N 0 0 497.448 4.235 50 0 JIAARN Cc1nc2ccccc2n(Cc2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2)c1=O ZINC000033005769 569614504 /nfs/dbraw/zinc/61/45/04/569614504.db2.gz FDUOYQRMGPTYKO-UHFFFAOYSA-N 0 0 472.976 4.369 50 0 JIAARN Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3)c2cc1C ZINC000033005976 569614597 /nfs/dbraw/zinc/61/45/97/569614597.db2.gz 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Cc1cccc(-c2noc(-c3cccn4c(=O)n(CC(=O)Nc5cccc(C(F)(F)F)c5)nc34)n2)c1 ZINC000067218807 569680343 /nfs/dbraw/zinc/68/03/43/569680343.db2.gz BOVOQAJDCLMMIM-UHFFFAOYSA-N 0 0 494.433 4.179 50 0 JIAARN O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)Nc1ccc(F)c(Cl)c1 ZINC000067219508 569680680 /nfs/dbraw/zinc/68/06/80/569680680.db2.gz AJDIJWQWBXWWBT-UHFFFAOYSA-N 0 0 487.896 4.290 50 0 JIAARN C[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4cc(C(F)(F)F)ccc4Cl)c(=O)c3s2)C1 ZINC000067226122 569680996 /nfs/dbraw/zinc/68/09/96/569680996.db2.gz XJGJREAMTIXIPE-NSHDSACASA-N 0 0 485.919 4.400 50 0 JIAARN CSc1cccc(NC(=O)Cn2nc3cc(C)nc(-c4ccc(C(F)(F)F)cc4)n3c2=O)c1 ZINC000067226456 569681134 /nfs/dbraw/zinc/68/11/34/569681134.db2.gz FLZQZKTWCHOZEJ-UHFFFAOYSA-N 0 0 473.480 4.246 50 0 JIAARN Cn1cc(-c2ccccc2)c2c1c(=O)n(C)c(=O)n2CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000067235257 569681229 /nfs/dbraw/zinc/68/12/29/569681229.db2.gz OIHXJXUNPSETLI-UHFFFAOYSA-N 0 0 490.869 4.017 50 0 JIAARN 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569722694 /nfs/dbraw/zinc/72/26/94/569722694.db2.gz RFXILFVJNJGMHE-KDURUIRLSA-N 0 0 462.550 4.211 50 0 JIAARN COc1cccc(CN2Cc3cc(NC(=O)COc4ccccc4)ccc3O[C@@H](C)C2=O)c1OC ZINC000035909756 569724950 /nfs/dbraw/zinc/72/49/50/569724950.db2.gz QCSZBSSWYMAOKC-SFHVURJKSA-N 0 0 476.529 4.031 50 0 JIAARN CCOc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(Cl)cc5)cc4c3=O)n2)cc1OC ZINC000095537237 569725867 /nfs/dbraw/zinc/72/58/67/569725867.db2.gz ZFULBUTVDWRQFQ-UHFFFAOYSA-N 0 0 477.908 4.322 50 0 JIAARN COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)ccc3c2=O)cc1 ZINC000095538557 569726114 /nfs/dbraw/zinc/72/61/14/569726114.db2.gz UBZNDBQFDATRAK-UHFFFAOYSA-N 0 0 494.429 4.483 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N[C@H](C)C(C)C)n3c2=O)nn1-c1cccc(C)c1 ZINC000035911878 569726908 /nfs/dbraw/zinc/72/69/08/569726908.db2.gz JQHGMUHZXCGHTD-QGZVFWFLSA-N 0 0 463.607 4.237 50 0 JIAARN CCc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)NCC(C)C)n3c2=O)cc1C ZINC000035911795 569726958 /nfs/dbraw/zinc/72/69/58/569726958.db2.gz 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Cc1ccccc1C(=O)N1CCCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035926026 569729393 /nfs/dbraw/zinc/72/93/93/569729393.db2.gz YIXXXNHFSAVSKY-UHFFFAOYSA-N 0 0 496.615 4.370 50 0 JIAARN COc1ccccc1-n1c(SCc2ccccc2C(=O)N2CCOCC2)nnc1C(C)C ZINC000095925501 569730056 /nfs/dbraw/zinc/73/00/56/569730056.db2.gz ZLDPCFGHUBNSJD-UHFFFAOYSA-N 0 0 452.580 4.164 50 0 JIAARN CCN1CCN(C(=O)c2cccc(Cn3c4ccc(C)cc4s/c3=N\C(=O)c3ccco3)c2)CC1 ZINC000095927452 569730474 /nfs/dbraw/zinc/73/04/74/569730474.db2.gz HLRPHPMIYAAKGJ-DQSJHHFOSA-N 0 0 488.613 4.171 50 0 JIAARN Cn1c2cc(-c3cccc(C(=O)N[C@H]4CCCC[C@@H]4OCc4ccccc4)c3)cnc2[nH]c1=O ZINC000095945775 569730982 /nfs/dbraw/zinc/73/09/82/569730982.db2.gz HRPPVPLCXCFENS-UPVQGACJSA-N 0 0 456.546 4.186 50 0 JIAARN CC(C)c1c(C(=O)OCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)cnn1-c1ccccn1 ZINC000095947492 569731192 /nfs/dbraw/zinc/73/11/92/569731192.db2.gz BABPOOWMSWBGIY-UHFFFAOYSA-N 0 0 482.587 4.275 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1F)C(=O)C1CC1 ZINC000035945841 569733075 /nfs/dbraw/zinc/73/30/75/569733075.db2.gz VDKSTBAHBVELEO-JOCHJYFZSA-N 0 0 457.933 4.042 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1F)C(=O)C1CCC1 ZINC000035945832 569733084 /nfs/dbraw/zinc/73/30/84/569733084.db2.gz JTTGPSAOUADLOX-QHCPKHFHSA-N 0 0 471.960 4.432 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1F)C(=O)NC(C)C ZINC000035945976 569733198 /nfs/dbraw/zinc/73/31/98/569733198.db2.gz PMXUHORMRPQZHW-QFIPXVFZSA-N 0 0 474.964 4.223 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(OC)cc1)C(=O)CC(C)(C)C ZINC000035946612 569733925 /nfs/dbraw/zinc/73/39/25/569733925.db2.gz ICDMYUKOSJGPNP-XMMPIXPASA-N 0 0 483.584 4.423 50 0 JIAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)cc1 ZINC000035946685 569733928 /nfs/dbraw/zinc/73/39/28/569733928.db2.gz DOPSDNYQOZBACA-OAQYLSRUSA-N 0 0 451.523 4.346 50 0 JIAARN COc1cccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(O)c(OC)c2)c1 ZINC000096115129 569734129 /nfs/dbraw/zinc/73/41/29/569734129.db2.gz HYQUMAOVLKJQBG-URXFXBBRSA-N 0 0 459.454 4.047 50 0 biogenic JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2OC)cc1 ZINC000035947099 569734193 /nfs/dbraw/zinc/73/41/93/569734193.db2.gz LLEYBBAWYTUUDL-DEOSSOPVSA-N 0 0 475.520 4.293 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1)C(=O)c1cccc(F)c1 ZINC000035947117 569734245 /nfs/dbraw/zinc/73/42/45/569734245.db2.gz BHHHAFQGUYUPKX-VWLOTQADSA-N 0 0 477.511 4.431 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000096115680 569734605 /nfs/dbraw/zinc/73/46/05/569734605.db2.gz ZAPUPSJPVACDCZ-XUZZJYLKSA-N 0 0 459.454 4.047 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1)C(=O)CC(C)(C)C ZINC000035947749 569734770 /nfs/dbraw/zinc/73/47/70/569734770.db2.gz NHMPVNUNOPYGCZ-DEOSSOPVSA-N 0 0 465.594 4.284 50 0 JIAARN COc1cc(OC)c([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc1OC ZINC000096115859 569734934 /nfs/dbraw/zinc/73/49/34/569734934.db2.gz WMDRWROYIONUMG-RCZVLFRGSA-N 0 0 473.481 4.350 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1)C(=O)c1cccs1 ZINC000035948346 569735197 /nfs/dbraw/zinc/73/51/97/569735197.db2.gz PXFGKBZHUXBQPH-LJQANCHMSA-N 0 0 471.579 4.415 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1Cl)C(=O)C1CCC1 ZINC000035948230 569735263 /nfs/dbraw/zinc/73/52/63/569735263.db2.gz NPZOFRLUMFTFSY-HXUWFJFHSA-N 0 0 459.999 4.354 50 0 JIAARN COc1ccc(OC)c([C@@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)C2CCCC2)c1 ZINC000035948629 569735538 /nfs/dbraw/zinc/73/55/38/569735538.db2.gz PEKQKDYBHCWAIA-FQEVSTJZSA-N 0 0 455.580 4.092 50 0 JIAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2cccc(OCc3cccnc3)c2)CCO1 ZINC000096118379 569736152 /nfs/dbraw/zinc/73/61/52/569736152.db2.gz XWLBVPUCOICEHP-AVRDEDQJSA-N 0 0 480.590 4.468 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccc(F)c3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000035960435 569736385 /nfs/dbraw/zinc/73/63/85/569736385.db2.gz ALTHDWXUDVUQNT-VWLOTQADSA-N 0 0 475.520 4.293 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)NC(C)(C)C)[C@@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000035960640 569736455 /nfs/dbraw/zinc/73/64/55/569736455.db2.gz KSRXIALKPKTNRR-JOCHJYFZSA-N 0 0 466.582 4.130 50 0 JIAARN COc1ccccc1[C@H]1CC(c2ccccc2F)=NN1C(=O)CN(C)C(=O)c1cccs1 ZINC000035961067 569736769 /nfs/dbraw/zinc/73/67/69/569736769.db2.gz MJTJFUWPGSKEQR-HXUWFJFHSA-N 0 0 451.523 4.346 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)cc1 ZINC000035961483 569737109 /nfs/dbraw/zinc/73/71/09/569737109.db2.gz HSNWTVNKBHUVOG-XMMPIXPASA-N 0 0 463.484 4.423 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCN([C@@H](c3ccccc3)c3cc(C)ccc3C)CC2)cc1 ZINC000096183754 569737157 /nfs/dbraw/zinc/73/71/57/569737157.db2.gz LTFXZCDFGWGSKY-SANMLTNESA-N 0 0 450.604 4.408 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1F)C(=O)C1CCCC1 ZINC000035962011 569737332 /nfs/dbraw/zinc/73/73/32/569737332.db2.gz PHZIYSCOKBWWHK-VWLOTQADSA-N 0 0 481.568 4.177 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1F)C(=O)c1cccs1 ZINC000035961999 569737341 /nfs/dbraw/zinc/73/73/41/569737341.db2.gz VPULXPNTVXPQPJ-QHCPKHFHSA-N 0 0 495.576 4.362 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(Cl)cc1)C(=O)NC(C)C ZINC000035963265 569737964 /nfs/dbraw/zinc/73/79/64/569737964.db2.gz MCYACANYLFGFOJ-QHCPKHFHSA-N 0 0 487.000 4.093 50 0 JIAARN Cc1cc(C)c(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)NCc3ccc4c(c3)OCO4)no2)c(C)c1 ZINC000096210811 569738129 /nfs/dbraw/zinc/73/81/29/569738129.db2.gz AQCJZSDUJUTPOL-OAQYLSRUSA-N 0 0 475.545 4.307 50 0 JIAARN O=C1C[C@@H](c2cc3cccc4c3n(c2=O)CC4)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096221371 569738915 /nfs/dbraw/zinc/73/89/15/569738915.db2.gz BBAYCZGQWIATQZ-FQEVSTJZSA-N 0 0 477.472 4.478 50 0 biogenic JIAARN COC(=O)[C@@H](C)Sc1nc2c(sc3nc(C)cc(C)c32)c(=O)n1-c1ccc(OC)cc1 ZINC000096592392 569742039 /nfs/dbraw/zinc/74/20/39/569742039.db2.gz QKSLDAYFTQNUNM-CYBMUJFWSA-N 0 0 455.561 4.274 50 0 JIAARN Cc1nn(-c2ccccc2Cl)c2nc(C)nc(N3CCCN(C(=O)c4cccs4)CC3)c12 ZINC000036000404 569745557 /nfs/dbraw/zinc/74/55/57/569745557.db2.gz HIAMRSZPOYNSAX-UHFFFAOYSA-N 0 0 466.998 4.500 50 0 JIAARN COCCNC(=O)CCN(c1nc(-c2cccc(Br)c2)nc2ccccc21)C1CC1 ZINC000036000666 569745677 /nfs/dbraw/zinc/74/56/77/569745677.db2.gz QNGPGLMDGTYTTD-UHFFFAOYSA-N 0 0 469.383 4.181 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccccc2Cl)c(C)n1CC ZINC000036000680 569745690 /nfs/dbraw/zinc/74/56/90/569745690.db2.gz DHEJGZVUNGUCPT-GOSISDBHSA-N 0 0 474.985 4.459 50 0 JIAARN O=C(/C=C/c1ccc2c(c1)OCO2)NCCCCCCCNC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000097658489 569745699 /nfs/dbraw/zinc/74/56/99/569745699.db2.gz ZUFNEUXOUQENGO-QRBCZBMESA-N 0 0 478.545 4.054 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCN(C(=O)CC(C)C)CC1 ZINC000036001077 569745766 /nfs/dbraw/zinc/74/57/66/569745766.db2.gz PCZNAOFERCOILC-UHFFFAOYSA-N 0 0 482.600 4.255 50 0 JIAARN O=C(c1ccccc1)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000036002171 569746132 /nfs/dbraw/zinc/74/61/32/569746132.db2.gz UFEVFDGPLPCRNK-UHFFFAOYSA-N 0 0 458.953 4.309 50 0 JIAARN CC(C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3ccccc3F)CC2)n1 ZINC000036002996 569746374 /nfs/dbraw/zinc/74/63/74/569746374.db2.gz VSPNDVWVRXQOAN-UHFFFAOYSA-N 0 0 458.541 4.431 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CCc2ccccn2)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000036004509 569746948 /nfs/dbraw/zinc/74/69/48/569746948.db2.gz KNEUGZGMCJKDAF-FQEVSTJZSA-N 0 0 497.617 4.016 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)C(C)C)ccc1N1CCCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036005809 569747323 /nfs/dbraw/zinc/74/73/23/569747323.db2.gz LDTRASISQBIQEO-UHFFFAOYSA-N 0 0 478.637 4.424 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)CC(C)C)ccc1N1CCCN(C(=O)C2CCCC2)CC1 ZINC000036005860 569747344 /nfs/dbraw/zinc/74/73/44/569747344.db2.gz DPKDWRUSASCANZ-UHFFFAOYSA-N 0 0 470.658 4.382 50 0 JIAARN Cc1cccc(-n2c(=O)c3ccc(Cl)cc3n([C@H](C)C(=O)NCc3ccc(F)cc3)c2=O)c1 ZINC000036008725 569748003 /nfs/dbraw/zinc/74/80/03/569748003.db2.gz UESJYFFYXSTZPX-MRXNPFEDSA-N 0 0 465.912 4.131 50 0 JIAARN O=C(c1ccccc1)N1CCC2(CC1)N[C@@H](Cc1ccccc1)C(=O)N2Cc1ccc(F)cc1 ZINC000036014078 569748913 /nfs/dbraw/zinc/74/89/13/569748913.db2.gz PXDJPDITNGUTNK-VWLOTQADSA-N 0 0 457.549 4.001 50 0 JIAARN COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)N3CCCC3)Cc3ccccc3)no2)c1 ZINC000036015116 569748996 /nfs/dbraw/zinc/74/89/96/569748996.db2.gz XJGYWRXTJSBJCX-UHFFFAOYSA-N 0 0 463.534 4.014 50 0 JIAARN Cc1nn(-c2ccccc2C)c2nc(C)nc(N3CCCN(C(=O)c4ccc(C)cc4)CC3)c12 ZINC000036019697 569750021 /nfs/dbraw/zinc/75/00/21/569750021.db2.gz DHBCLMQSYMGXGV-UHFFFAOYSA-N 0 0 454.578 4.402 50 0 JIAARN COCc1nc2c(c(C)nn2-c2cccc(Cl)c2)c(NCCNC(=O)c2ccc(Cl)cc2)n1 ZINC000036019708 569750075 /nfs/dbraw/zinc/75/00/75/569750075.db2.gz RCNJYMZEQHXFRO-UHFFFAOYSA-N 0 0 485.375 4.419 50 0 JIAARN CCOc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CNC(=S)NC(C)C)cc1 ZINC000036021768 569750158 /nfs/dbraw/zinc/75/01/58/569750158.db2.gz XSUGHARXTHBOLN-NRFANRHFSA-N 0 0 486.638 4.106 50 0 JIAARN COCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(N2CCCN(C(=O)c3ccc(C)cc3)CC2)n1 ZINC000036024945 569750466 /nfs/dbraw/zinc/75/04/66/569750466.db2.gz AOLHOWPHTOKWHE-UHFFFAOYSA-N 0 0 484.604 4.240 50 0 JIAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCOCC2)c(NC(=O)c2ccccc2)c1 ZINC000098086952 569750492 /nfs/dbraw/zinc/75/04/92/569750492.db2.gz BLVFHODCXHDDKH-UHFFFAOYSA-N 0 0 474.586 4.211 50 0 JIAARN CCc1nc2c(c(C)nn2-c2ccccc2C)c(N2CCCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000036025979 569750774 /nfs/dbraw/zinc/75/07/74/569750774.db2.gz FKGDUAMQOXJIRK-UHFFFAOYSA-N 0 0 472.568 4.486 50 0 JIAARN CC[C@@H](C)CN1C(=O)[C@H](Cc2ccccc2)NC12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000036026579 569750794 /nfs/dbraw/zinc/75/07/94/569750794.db2.gz KXTBKBHQGSIAIV-XXBNENTESA-N 0 0 454.014 4.362 50 0 JIAARN CCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(OC)cc4)[nH]n3)CC2)cc1OCC ZINC000098212755 569750974 /nfs/dbraw/zinc/75/09/74/569750974.db2.gz PWRJLKQCKGKWSL-UHFFFAOYSA-N 0 0 464.566 4.282 50 0 JIAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)C(=O)c1ccc(C)cc1 ZINC000036030075 569751431 /nfs/dbraw/zinc/75/14/31/569751431.db2.gz XPRDMHWZEDERHU-UHFFFAOYSA-N 0 0 483.634 4.110 50 0 JIAARN CC(C)Cn1c(CN(C[C@H]2CCCO2)C(=O)CC(C)(C)C)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030142 569751468 /nfs/dbraw/zinc/75/14/68/569751468.db2.gz DRXNSLCLFLAVCA-HSZRJFAPSA-N 0 0 489.682 4.457 50 0 JIAARN O=C(c1ccc(F)cc1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CC1)CC1CC1 ZINC000036030548 569751672 /nfs/dbraw/zinc/75/16/72/569751672.db2.gz ZMIQQZBCFGYLIB-UHFFFAOYSA-N 0 0 467.566 4.383 50 0 JIAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C(=O)c3ccco3)C(C)C)n2CC(C)C)c1 ZINC000036039624 569752597 /nfs/dbraw/zinc/75/25/97/569752597.db2.gz NDFVQOSFCOQKKQ-UHFFFAOYSA-N 0 0 457.596 4.465 50 0 JIAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1CC(C)C)C(=O)c1ccc(OC)cc1 ZINC000036039735 569752731 /nfs/dbraw/zinc/75/27/31/569752731.db2.gz FKTWRJACOZHJSP-UHFFFAOYSA-N 0 0 483.634 4.492 50 0 JIAARN O=C(C1CC1)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)CC1CC1 ZINC000036040111 569752933 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COc1ccc(Nc2nc(C(=O)N(CCC(=O)NCc3ccco3)Cc3ccco3)cs2)cc1 ZINC000037427155 569789404 /nfs/dbraw/zinc/78/94/04/569789404.db2.gz BZKNOACYGUQKHI-UHFFFAOYSA-N 0 0 480.546 4.430 50 0 JIAARN Cc1cs/c(=N\C(=O)c2ccccc2Cl)n1Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000037427628 569789602 /nfs/dbraw/zinc/78/96/02/569789602.db2.gz KCJDYAJTQLWBHT-ADKFBQBXSA-N 0 0 469.994 4.210 50 0 JIAARN COc1cccc(C(=O)/N=c2\sccn2Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1 ZINC000037435939 569790025 /nfs/dbraw/zinc/79/00/25/569790025.db2.gz IEFHEGGDVPKNMD-WCTVFOPTSA-N 0 0 475.545 4.417 50 0 JIAARN C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)Cn3c4ccoc4cc3C(=O)N2Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000037443548 569791210 /nfs/dbraw/zinc/79/12/10/569791210.db2.gz IPVIUTGWWBHXHQ-VIEPTKDXSA-N 0 0 477.561 4.319 50 0 JIAARN Cc1ccc(C)c(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)N4CCCC4)o2)C(=O)CO3)c1 ZINC000037510676 569791424 /nfs/dbraw/zinc/79/14/24/569791424.db2.gz XOXGANRACMKJNO-UHFFFAOYSA-N 0 0 488.540 4.320 50 0 JIAARN CCCNC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4cccc(C)c4C)cc32)o1 ZINC000037511017 569791448 /nfs/dbraw/zinc/79/14/48/569791448.db2.gz QEMIBVSBQXPGHZ-UHFFFAOYSA-N 0 0 476.529 4.224 50 0 JIAARN C[C@H](C(=O)NCc1ccccc1)N1C(=O)COc2ccc(C(=O)COc3ccc(Cl)cc3)cc21 ZINC000037511720 569791829 /nfs/dbraw/zinc/79/18/29/569791829.db2.gz PNOWUUHHXMXCCP-QGZVFWFLSA-N 0 0 478.932 4.032 50 0 JIAARN COc1cccc(-c2nnc3c4ccccc4nc(N4CCCN(C(=O)c5cccs5)CC4)n23)c1 ZINC000037554953 569794919 /nfs/dbraw/zinc/79/49/19/569794919.db2.gz PQCYWNRBYWFZFH-UHFFFAOYSA-N 0 0 484.585 4.367 50 0 JIAARN COc1cc2c(cc1OC)CN(Cc1coc(=O)c(C[NH+]3CCC(c4ccccc4)CC3)c1[O-])CC2 ZINC000101374714 569794980 /nfs/dbraw/zinc/79/49/80/569794980.db2.gz FITRSXZYKIXWGR-UHFFFAOYSA-N 0 0 490.600 4.301 50 0 JIAARN CC(=O)N1CCN(C(=O)Cc2ccc(N(Cc3cccc(C)c3)C(=O)c3cccs3)cc2)CC1 ZINC000037558216 569795404 /nfs/dbraw/zinc/79/54/04/569795404.db2.gz BMYZRGYTCHKIGR-UHFFFAOYSA-N 0 0 475.614 4.137 50 0 JIAARN CCOC(=O)C1CCN(C(=O)Cc2ccc(N(Cc3ccc(F)cc3)C(=O)CC)cc2)CC1 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COc1ccc(C(=O)N(Cc2ccc(F)cc2)c2nn3c(nc(C)c(Cc4ccccc4)c3=O)[nH]2)cc1 ZINC000101861095 569806414 /nfs/dbraw/zinc/80/64/14/569806414.db2.gz OFYMSFLGDDEEFK-UHFFFAOYSA-N 0 0 497.530 4.312 50 0 JIAARN CCCCc1c(C)nc2[nH]c(N(Cc3ccc(F)cc3)C(=O)c3ccc(F)cc3)nn2c1=O ZINC000101861397 569806496 /nfs/dbraw/zinc/80/64/96/569806496.db2.gz FRXCIQQGBAFCOT-UHFFFAOYSA-N 0 0 451.477 4.194 50 0 JIAARN CCCCc1c(C)nc2[nH]c(N(Cc3cccc(OC)c3)C(=O)c3ccc(C)cc3)nn2c1=O ZINC000101878603 569806770 /nfs/dbraw/zinc/80/67/70/569806770.db2.gz VZLBMHQOTUMKCN-UHFFFAOYSA-N 0 0 459.550 4.233 50 0 JIAARN CCCCc1c(C)nc2[nH]c(N(Cc3ccc(OCC)cc3)C(=O)c3ccccc3)nn2c1=O ZINC000101878677 569806838 /nfs/dbraw/zinc/80/68/38/569806838.db2.gz GARNSJIEOYDLDB-UHFFFAOYSA-N 0 0 459.550 4.314 50 0 JIAARN COc1ccc(NC(=O)CN2c3ncccc3N=C(c3ccc(C)c(C)c3)CC2=O)c(OC)c1 ZINC000101880550 569807035 /nfs/dbraw/zinc/80/70/35/569807035.db2.gz RHAHBXPVOJAPRA-UHFFFAOYSA-N 0 0 458.518 4.212 50 0 JIAARN Cc1nnc(CN2C(=O)c3ccccc3C2=O)n1-c1ccc(Cl)cc1C(=O)c1ccccc1 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50 0 JIAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccc2c(c1)OCCO2 ZINC000001064563 194013414 /nfs/dbraw/zinc/01/34/14/194013414.db2.gz JMJJTOJIZZHDMC-VWLOTQADSA-N 0 0 494.341 4.228 50 0 JIAARN COc1ccccc1CNc1nc(NCc2ccccc2OC)n(C(=O)Cc2ccccc2)n1 ZINC000001068113 194015107 /nfs/dbraw/zinc/01/51/07/194015107.db2.gz LROAKBPBXNKFDV-UHFFFAOYSA-N 0 0 457.534 4.402 50 0 JIAARN CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000001073123 194016846 /nfs/dbraw/zinc/01/68/46/194016846.db2.gz BAUHBPQFZZJUBK-UHFFFAOYSA-N 0 0 451.759 4.351 50 0 JIAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(NC(C)=O)cc3)nc3ccccc3c2=O)cc1 ZINC000001088227 194021541 /nfs/dbraw/zinc/02/15/41/194021541.db2.gz UMNWUUWMWTVVLG-UHFFFAOYSA-N 0 0 474.542 4.084 50 0 JIAARN CCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(C(C)=O)c3ccccc3C2c2ccccc21 ZINC000001092956 194022347 /nfs/dbraw/zinc/02/23/47/194022347.db2.gz MFQWHQIUPWZUPN-OHTDUKGKSA-N 0 0 465.505 4.003 50 0 JIAARN O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 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PSINRNCYDAZFMK-IBGZPJMESA-N 0 0 475.977 4.466 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSCc2ccccc2Br)cc1 ZINC000001118996 194032295 /nfs/dbraw/zinc/03/22/95/194032295.db2.gz QZVQHCUMQNQLHI-UHFFFAOYSA-N 0 0 471.442 4.352 50 0 JIAARN CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000001119019 194032351 /nfs/dbraw/zinc/03/23/51/194032351.db2.gz NGKMXCPDIWDCOL-KRWDZBQOSA-N 0 0 467.595 4.145 50 0 JIAARN COc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001119302 194032659 /nfs/dbraw/zinc/03/26/59/194032659.db2.gz KIUOZRIJJLOBJL-UHFFFAOYSA-N 0 0 466.893 4.461 50 0 JIAARN COC(=O)C1=CN(C2CCCCC2)C=C(C(=O)OC)C1c1cc(OC)c(OC)cc1Br ZINC000001120454 194033419 /nfs/dbraw/zinc/03/34/19/194033419.db2.gz HWMSXCYUDBLKEZ-UHFFFAOYSA-N 0 0 494.382 4.312 50 0 JIAARN COC(=O)c1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000001122969 194034810 /nfs/dbraw/zinc/03/48/10/194034810.db2.gz BSOSLDZEXUMVNX-RPBOFIJWSA-N 0 0 461.514 4.064 50 0 JIAARN CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccc(O)c(OCC)c1 ZINC000001123431 194035066 /nfs/dbraw/zinc/03/50/66/194035066.db2.gz UFHRQPULKAUVQH-UHFFFAOYSA-N 0 0 481.545 4.293 50 0 JIAARN NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)cc1 ZINC000001115155 194029280 /nfs/dbraw/zinc/02/92/80/194029280.db2.gz COSDYKTXXGWELK-UHFFFAOYSA-N 0 0 496.386 4.242 50 0 JIAARN CCn1c(SCC(=O)Nc2ncccc2C)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000001145198 194047058 /nfs/dbraw/zinc/04/70/58/194047058.db2.gz MSLZCDDJLQSFCS-FQEVSTJZSA-N 0 0 466.611 4.168 50 0 JIAARN CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000001146945 194048264 /nfs/dbraw/zinc/04/82/64/194048264.db2.gz GEKRZLNZPKCHEB-UHFFFAOYSA-N 0 0 450.866 4.063 50 0 JIAARN COc1cccc(N(CC(=O)Nc2ccc(CSc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000001147325 194048696 /nfs/dbraw/zinc/04/86/96/194048696.db2.gz YHZVGZNTYRRJCH-UHFFFAOYSA-N 0 0 456.589 4.392 50 0 JIAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1I ZINC000001133287 194040473 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COc1ccc(NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000001152671 194051536 /nfs/dbraw/zinc/05/15/36/194051536.db2.gz OFHWXWZOPULILA-UHFFFAOYSA-N 0 0 488.993 4.495 50 0 JIAARN O=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000001156848 194052945 /nfs/dbraw/zinc/05/29/45/194052945.db2.gz BVARTPPNIVJCEH-UHFFFAOYSA-N 0 0 457.777 4.142 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccc(OC)cc2)NC(=O)c2ccc(OC)cc2)cc1 ZINC000001158191 194053486 /nfs/dbraw/zinc/05/34/86/194053486.db2.gz QDRILFAILRDYFL-ULJHMMPZSA-N 0 0 474.513 4.290 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1OC ZINC000001158622 194053759 /nfs/dbraw/zinc/05/37/59/194053759.db2.gz KQXUKIXSIXQTJT-UHFFFAOYSA-N 0 0 473.378 4.050 50 0 JIAARN COc1cc(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc(OC)c1OC ZINC000001160342 194054529 /nfs/dbraw/zinc/05/45/29/194054529.db2.gz KORNZWXYQMBINC-UHFFFAOYSA-N 0 0 470.547 4.428 50 0 JIAARN COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Br ZINC000001162604 194055575 /nfs/dbraw/zinc/05/55/75/194055575.db2.gz BHGXZNSXWGBUEV-SXGWCWSVSA-N 0 0 465.300 4.272 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2ccc(C)cc2)cc1OC ZINC000001204401 194069485 /nfs/dbraw/zinc/06/94/85/194069485.db2.gz DNWWZCLGRMNBKS-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2ccc(C)cc2)cc1 ZINC000001186100 194064406 /nfs/dbraw/zinc/06/44/06/194064406.db2.gz LOQZABOUQOKZJN-UHFFFAOYSA-N 0 0 452.576 4.248 50 0 JIAARN COc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc(I)c1OC ZINC000001192906 194066174 /nfs/dbraw/zinc/06/61/74/194066174.db2.gz GIVNFTLWCAXHAU-ZSOIEALJSA-N 0 0 469.662 4.306 50 0 JIAARN COC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@H](C(C)C)OC3 ZINC000001247801 194079606 /nfs/dbraw/zinc/07/96/06/194079606.db2.gz NRLWNLRENGDLEJ-CXAGYDPISA-N 0 0 474.604 4.207 50 0 JIAARN COc1cccc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 ZINC000001209579 194070897 /nfs/dbraw/zinc/07/08/97/194070897.db2.gz FLQVPSAOKGIBHZ-UHFFFAOYSA-N 0 0 475.364 4.292 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ZINC000001405465 194115873 /nfs/dbraw/zinc/11/58/73/194115873.db2.gz BHLCSEOUKHHXEM-UHFFFAOYSA-N 0 0 479.606 4.035 50 0 JIAARN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(C)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000001406837 194115897 /nfs/dbraw/zinc/11/58/97/194115897.db2.gz SHELZVITBQVTLL-RISWYLRJSA-N 0 0 484.577 4.237 50 0 JIAARN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(Br)c(Br)c1O ZINC000001408318 194116311 /nfs/dbraw/zinc/11/63/11/194116311.db2.gz KXCKNKRSCFMWLS-MDWZMJQESA-N 0 0 496.155 4.409 50 0 JIAARN COc1ccc(OC)c(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000001435756 194120316 /nfs/dbraw/zinc/12/03/16/194120316.db2.gz RUPMNBLMVKLPEO-UHFFFAOYSA-N 0 0 454.548 4.155 50 0 JIAARN Cn1c2ccc(S(=O)(=O)NC[C@H](Cc3ccccc3F)c3ccccc3)cc2sc1=O ZINC000001425219 194118889 /nfs/dbraw/zinc/11/88/89/194118889.db2.gz QAHHPGVJLVWSJS-SFHVURJKSA-N 0 0 456.564 4.044 50 0 JIAARN COc1ccc(Cl)cc1C1=NC(=CNc2ccc(I)cc2)C(=O)O1 ZINC000001507548 194126320 /nfs/dbraw/zinc/12/63/20/194126320.db2.gz 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4.478 50 0 JIAARN CCOC(=O)c1c(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)sc2c1CCC2 ZINC000001749362 194134197 /nfs/dbraw/zinc/13/41/97/194134197.db2.gz DJMRMTZUAXMUQS-UHFFFAOYSA-N 0 0 454.548 4.209 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000001824695 194146668 /nfs/dbraw/zinc/14/66/68/194146668.db2.gz GDYLTXCABJRKHX-CFINBHSISA-N 0 0 479.410 4.167 50 0 JIAARN CCn1cc(C(=O)N(CCC(C)C)CCC(C)C)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 ZINC000001826668 194147387 /nfs/dbraw/zinc/14/73/87/194147387.db2.gz MAJXJCHDMRMFAW-UHFFFAOYSA-N 0 0 472.649 4.447 50 0 JIAARN CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Br)c1 ZINC000002426668 194160914 /nfs/dbraw/zinc/16/09/14/194160914.db2.gz GKJJOADDFBPJLA-FQEVSTJZSA-N 0 0 455.352 4.443 50 0 JIAARN COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C(C)C)CC(=O)N32)ccc1OC(C)C ZINC000002111362 194157205 /nfs/dbraw/zinc/15/72/05/194157205.db2.gz WVTCFVMWLOOPDX-LVXARBLLSA-N 0 0 461.562 4.057 50 0 biogenic JIAARN COc1ccccc1COc1ccc2c(C)c(CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(=O)oc2c1 ZINC000002111275 194157248 /nfs/dbraw/zinc/15/72/48/194157248.db2.gz INJWYKXINWTLFR-ONOMSOESSA-N 0 0 491.584 4.385 50 0 biogenic JIAARN COC(=O)[C@](O)(c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1)C(F)(F)F ZINC000002281163 194159119 /nfs/dbraw/zinc/15/91/19/194159119.db2.gz CUJAEOZHRRBGHS-QGZVFWFLSA-N 0 0 481.279 4.043 50 0 JIAARN COCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000002619522 194162391 /nfs/dbraw/zinc/16/23/91/194162391.db2.gz BIMFHZLRXQVQIF-UHFFFAOYSA-N 0 0 491.617 4.257 50 0 JIAARN Cc1c(C(=O)Nc2nc3ccccc3s2)sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 ZINC000002922435 194170052 /nfs/dbraw/zinc/17/00/52/194170052.db2.gz KNLKSTCUYFAION-CYBMUJFWSA-N 0 0 481.603 4.029 50 0 JIAARN COc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cc(OC)ccc2OC)cc1 ZINC000002953011 194178384 /nfs/dbraw/zinc/17/83/84/194178384.db2.gz FIYPXWDGIJRSKH-WCTVFOPTSA-N 0 0 475.501 4.139 50 0 JIAARN COc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(OC)cc2OC)cc1 ZINC000002953017 194178427 /nfs/dbraw/zinc/17/84/27/194178427.db2.gz ILOJEERGHBYNBK-WCTVFOPTSA-N 0 0 475.501 4.139 50 0 JIAARN COc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cccc(C)c2)cc1OC ZINC000002953299 194178507 /nfs/dbraw/zinc/17/85/07/194178507.db2.gz BXPOORAECZKDNU-WCTVFOPTSA-N 0 0 459.502 4.439 50 0 JIAARN Cc1ncc(CO)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)/c(=N/c3ccc(C(N)=O)cc3)oc12 ZINC000002954775 194178987 /nfs/dbraw/zinc/17/89/87/194178987.db2.gz IPWGQKYMEFQUBY-TZHWMEPESA-N 0 0 496.445 4.231 50 0 JIAARN COc1ccc2nc(NC(=O)c3nn(-c4ccccc4OC)c(=O)c4ccccc43)sc2c1 ZINC000002942644 194175252 /nfs/dbraw/zinc/17/52/52/194175252.db2.gz IRAGNCFNWRGOOL-UHFFFAOYSA-N 0 0 458.499 4.265 50 0 JIAARN CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)c(-c2ccc(OC)c(OC)c2)n1 ZINC000002951168 194177597 /nfs/dbraw/zinc/17/75/97/194177597.db2.gz WELIZVSQJJTONL-OAHLLOKOSA-N 0 0 498.605 4.247 50 0 JIAARN O=C1[C@@H](Cc2ccccc2)N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Cl)ccc4n3)N12 ZINC000002964415 194183580 /nfs/dbraw/zinc/18/35/80/194183580.db2.gz KJXXVJGQEWVSJT-OAQYLSRUSA-N 0 0 499.983 4.483 50 0 JIAARN CC[C@@H](C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(OC)cc3OC)N2C1=O ZINC000002964635 194183980 /nfs/dbraw/zinc/18/39/80/194183980.db2.gz RCSJGJAPBJBUNJ-SZNDQCEHSA-N 0 0 466.563 4.080 50 0 JIAARN CCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccco3)C(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000002964640 194183982 /nfs/dbraw/zinc/18/39/82/194183982.db2.gz QUJGZCGDOHPKAB-OAQYLSRUSA-N 0 0 452.894 4.306 50 0 JIAARN CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O ZINC000002967018 194184819 /nfs/dbraw/zinc/18/48/19/194184819.db2.gz HHCTWBNGIHASED-FQEVSTJZSA-N 0 0 452.555 4.414 50 0 JIAARN CCOC(Cn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccccc1Cl)OCC ZINC000002971828 194188772 /nfs/dbraw/zinc/18/87/72/194188772.db2.gz YTTRSITWIORIAC-UHFFFAOYSA-N 0 0 461.971 4.180 50 0 JIAARN CCOC(Cn1c(SCc2cc(C(C)=O)ccc2OC)nc2ccccc2c1=O)OCC ZINC000002971842 194188774 /nfs/dbraw/zinc/18/87/74/194188774.db2.gz WVOAWYDJSSYSTD-UHFFFAOYSA-N 0 0 456.564 4.299 50 0 JIAARN CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)N2CCCCC2)cc1 ZINC000002971900 194189081 /nfs/dbraw/zinc/18/90/81/194189081.db2.gz HCHIOWJOFAFUGO-UHFFFAOYSA-N 0 0 478.618 4.092 50 0 JIAARN O=C(CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1)c1ccccc1 ZINC000002976282 194191110 /nfs/dbraw/zinc/19/11/10/194191110.db2.gz RQHAZTQFMXRUBS-UHFFFAOYSA-N 0 0 485.609 4.451 50 0 JIAARN CCCCn1c(=O)c2cc(N3CCOCC3)ccc2nc1SCC(=O)c1ccc(F)cc1 ZINC000002976396 194191134 /nfs/dbraw/zinc/19/11/34/194191134.db2.gz LHGTVURZHWIQRU-UHFFFAOYSA-N 0 0 455.555 4.147 50 0 JIAARN CC(=O)Nc1cc(C(=O)NCCc2ccc(C)cc2)ccc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000003007960 194202707 /nfs/dbraw/zinc/20/27/07/194202707.db2.gz JMSGQMMWHLREGK-UHFFFAOYSA-N 0 0 470.978 4.412 50 0 JIAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003008171 194202902 /nfs/dbraw/zinc/20/29/02/194202902.db2.gz IXKBLUYINYIULM-UHFFFAOYSA-N 0 0 486.594 4.185 50 0 JIAARN CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CS(=O)(=O)C3)cc1 ZINC000003009669 194203568 /nfs/dbraw/zinc/20/35/68/194203568.db2.gz YLZYOFASVJGCDG-UHFFFAOYSA-N 0 0 453.564 4.349 50 0 JIAARN CCOC(=O)CSc1nc2sc(C(=O)OCC)c(C)c2c(=O)n1Cc1ccc(Cl)cc1 ZINC000003010589 194204162 /nfs/dbraw/zinc/20/41/62/194204162.db2.gz WRAAIVWMFOBDSY-UHFFFAOYSA-N 0 0 480.995 4.300 50 0 JIAARN CCOc1ccc(N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002990724 194196424 /nfs/dbraw/zinc/19/64/24/194196424.db2.gz YESBADVCTHPSPU-UHFFFAOYSA-N 0 0 464.653 4.237 50 0 JIAARN CCOC(=O)c1sc(NC(=S)NC(=O)c2cccc(Br)c2)c(C(=O)OCC)c1C ZINC000002994314 194197551 /nfs/dbraw/zinc/19/75/51/194197551.db2.gz JUGFZYKYTYWIGF-UHFFFAOYSA-N 0 0 499.408 4.299 50 0 JIAARN COC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Cc2ccc(F)cc2)cc1 ZINC000003006348 194200963 /nfs/dbraw/zinc/20/09/63/194200963.db2.gz DCVXKZDTZPHKFH-DEOSSOPVSA-N 0 0 493.531 4.377 50 0 JIAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2F)cc1F 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O=C(CSc1nnc(CNC(=O)c2cccs2)n1-c1cccc(Cl)c1)Nc1nccs1 ZINC000009611008 194815353 /nfs/dbraw/zinc/81/53/53/194815353.db2.gz JXWHJSGVRNPBNL-UHFFFAOYSA-N 0 0 491.023 4.100 50 0 JIAARN Cc1ccccc1Cn1c2ccccc2c(=O)n(CCCC(=O)NCc2ccccc2Cl)c1=O ZINC000009617053 194824727 /nfs/dbraw/zinc/82/47/27/194824727.db2.gz PLVLDAGCQTWCMC-UHFFFAOYSA-N 0 0 475.976 4.270 50 0 JIAARN CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2c3ccccc3oc2C(N)=O)cc1 ZINC000009624710 194826590 /nfs/dbraw/zinc/82/65/90/194826590.db2.gz KCHVGAASHZAJBG-UHFFFAOYSA-N 0 0 469.563 4.127 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)C1c2ccccc2Oc2ccccc21 ZINC000009631491 194829052 /nfs/dbraw/zinc/82/90/52/194829052.db2.gz DOZLUZIFJNQUTA-QGZVFWFLSA-N 0 0 494.569 4.053 50 0 JIAARN COC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000009646272 194852341 /nfs/dbraw/zinc/85/23/41/194852341.db2.gz VWHIVJFXGTVYNI-UHFFFAOYSA-N 0 0 478.979 4.331 50 0 JIAARN CCOC(=O)c1sc(NC(=S)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)cc1C ZINC000009634824 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O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCc1ccccc1OC(F)(F)F ZINC000012769915 195116665 /nfs/dbraw/zinc/11/66/65/195116665.db2.gz AUDSHULVIZIFRR-UHFFFAOYSA-N 0 0 451.470 4.011 50 0 JIAARN CC(C)(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cc1 ZINC000012768373 195115645 /nfs/dbraw/zinc/11/56/45/195115645.db2.gz KVSJWKOFXMIAMU-HSZRJFAPSA-N 0 0 486.366 4.084 50 0 JIAARN Cc1ccc(-c2noc(CN3CCN(C(=O)COc4cc(Cl)ccc4Cl)CC3)n2)cc1 ZINC000012769210 195116386 /nfs/dbraw/zinc/11/63/86/195116386.db2.gz HAALDEBVJDJFNN-UHFFFAOYSA-N 0 0 461.349 4.075 50 0 JIAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)c12 ZINC000012770958 195117597 /nfs/dbraw/zinc/11/75/97/195117597.db2.gz LESNUCPMHJHNOA-UHFFFAOYSA-N 0 0 462.531 4.235 50 0 JIAARN CN1c2ccccc2C(=O)[C@@H](C(c2ccc(Cl)cc2)[C@@H]2C(=O)c3ccccc3N(C)C2=O)C1=O ZINC000012771071 195117703 /nfs/dbraw/zinc/11/77/03/195117703.db2.gz ADDSBISWEJIARR-DHIUTWEWSA-N 0 0 472.928 4.375 50 0 JIAARN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000012771672 195117914 /nfs/dbraw/zinc/11/79/14/195117914.db2.gz SQYSVUJLVBYKJR-UHFFFAOYSA-N 0 0 469.563 4.155 50 0 JIAARN COc1cc(CNC(=O)[C@H]2CCCN2C(=O)c2cccs2)ccc1OCc1ccccc1 ZINC000012770479 195117234 /nfs/dbraw/zinc/11/72/34/195117234.db2.gz RLLKLTIRCVMUNU-HXUWFJFHSA-N 0 0 450.560 4.257 50 0 JIAARN CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nn(CN(C)[C@@H]2CCS(=O)(=O)C2)c1=S ZINC000012772844 195118911 /nfs/dbraw/zinc/11/89/11/195118911.db2.gz DTIPFNQLVXPWJJ-CQSZACIVSA-N 0 0 463.456 4.120 50 0 JIAARN CCc1c(C)sc2nc(SCCC(=O)NC3CCCCC3)n(C[C@H]3CCCO3)c(=O)c12 ZINC000012772733 195119065 /nfs/dbraw/zinc/11/90/65/195119065.db2.gz RHUHBVSNGMAHBT-QGZVFWFLSA-N 0 0 463.669 4.439 50 0 JIAARN C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012775721 195120604 /nfs/dbraw/zinc/12/06/04/195120604.db2.gz HRWAGAFYFWLVCR-PXRHCINRSA-N 0 0 461.613 4.018 50 0 JIAARN CCOC(=O)c1sc(SCC(=O)N(Cc2ccccc2)c2nc3c(cccc3C)s2)nc1O ZINC000012782895 195125391 /nfs/dbraw/zinc/12/53/91/195125391.db2.gz IHLXCYIDTUGMHN-IBGZPJMESA-N 0 0 499.639 4.432 50 0 JIAARN C[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000012784578 195126849 /nfs/dbraw/zinc/12/68/49/195126849.db2.gz NDSREFWMIJZIRU-AWEZNQCLSA-N 0 0 472.554 4.314 50 0 JIAARN COc1ccc(CN(C)CC(=O)N2CCc3sccc3[C@H]2c2cccs2)c(OC)c1OC ZINC000012786032 195128357 /nfs/dbraw/zinc/12/83/57/195128357.db2.gz UNNIYJATMBHPFC-QFIPXVFZSA-N 0 0 472.632 4.442 50 0 JIAARN CCCCN1C(=O)C[C@H](C(=O)N(C)Cc2c(Cl)nc3sccn23)[C@@H]1c1ccc(OC)cc1 ZINC000012791553 195132428 /nfs/dbraw/zinc/13/24/28/195132428.db2.gz XQWWBEAVMXNODR-PXNSSMCTSA-N 0 0 475.014 4.406 50 0 JIAARN C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000012791917 195132805 /nfs/dbraw/zinc/13/28/05/195132805.db2.gz BQWCHCXQHJEIDP-CYBMUJFWSA-N 0 0 456.992 4.087 50 0 JIAARN CCc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000012793054 195133517 /nfs/dbraw/zinc/13/35/17/195133517.db2.gz FWJIAKVLTVZGCM-BBRMVZONSA-N 0 0 471.442 4.104 50 0 JIAARN CCOc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000012794698 195134789 /nfs/dbraw/zinc/13/47/89/195134789.db2.gz SQUQRZPEPQTDEC-VWLOTQADSA-N 0 0 470.635 4.467 50 0 JIAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)C1=O ZINC000012794919 195134939 /nfs/dbraw/zinc/13/49/39/195134939.db2.gz RGTOJOXPGIEXMY-RXFWQSSRSA-N 0 0 476.602 4.293 50 0 JIAARN CC(=O)c1ccc(N(C(=O)CN2C(=O)c3ccccc3C2=O)c2nc3ccccc3s2)cc1 ZINC000012794883 195134981 /nfs/dbraw/zinc/13/49/81/195134981.db2.gz XAIJPJBNXQZCTI-UHFFFAOYSA-N 0 0 455.495 4.460 50 0 JIAARN Cc1cc(N2CCN(C(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)CC2)nc(C(C)C)n1 ZINC000012794851 195135060 /nfs/dbraw/zinc/13/50/60/195135060.db2.gz NYJSUJCLVVDETC-UHFFFAOYSA-N 0 0 467.577 4.119 50 0 JIAARN COCCn1c(S[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000012795509 195135451 /nfs/dbraw/zinc/13/54/51/195135451.db2.gz LXHBXRHSWPDIQH-YJBOKZPZSA-N 0 0 473.664 4.339 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)Cc1ccc(C(C)C)cc1 ZINC000012796522 195136186 /nfs/dbraw/zinc/13/61/86/195136186.db2.gz HNHAKAGJNDBLEQ-UHFFFAOYSA-N 0 0 473.639 4.064 50 0 JIAARN Cc1sc(NC(=O)Cn2cnc3sccc3c2=O)nc1-c1ccc(Br)cc1 ZINC000012797305 195137082 /nfs/dbraw/zinc/13/70/82/195137082.db2.gz AVAHTKJQNJATKG-UHFFFAOYSA-N 0 0 461.366 4.291 50 0 JIAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000012804414 195140736 /nfs/dbraw/zinc/14/07/36/195140736.db2.gz ITJBZWVQRPBFLR-UHFFFAOYSA-N 0 0 497.930 4.393 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000012804293 195140863 /nfs/dbraw/zinc/14/08/63/195140863.db2.gz LNROJKIMMYMKLM-FQEVSTJZSA-N 0 0 492.601 4.394 50 0 JIAARN C[C@H]1CCCC[C@@H]1n1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nnc1-c1cccnc1 ZINC000012805412 195141178 /nfs/dbraw/zinc/14/11/78/195141178.db2.gz AELFIWLEONTYJW-YOEHRIQHSA-N 0 0 496.662 4.471 50 0 JIAARN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000012805529 195141215 /nfs/dbraw/zinc/14/12/15/195141215.db2.gz NGUOFFCLYVTEFZ-IUYQLWOBSA-N 0 0 492.523 4.435 50 0 JIAARN COCCCn1c(=O)c2c3c(sc2nc1SCC(=O)N(C)Cc1cccc(Cl)c1)CCC3 ZINC000012805628 195141591 /nfs/dbraw/zinc/14/15/91/195141591.db2.gz ZKRAKLGNGFOXOT-UHFFFAOYSA-N 0 0 492.066 4.387 50 0 JIAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000012806529 195141745 /nfs/dbraw/zinc/14/17/45/195141745.db2.gz OJGLVQCKOWSLEC-SFHVURJKSA-N 0 0 463.540 4.381 50 0 JIAARN CCCc1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2cccs2)cc1 ZINC000012809754 195143709 /nfs/dbraw/zinc/14/37/09/195143709.db2.gz HSKZJGXJWJSTPT-DEOSSOPVSA-N 0 0 484.643 4.241 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccc(F)cc1Cl ZINC000012812817 195145302 /nfs/dbraw/zinc/14/53/02/195145302.db2.gz LNIOISIVCUFQEA-UHFFFAOYSA-N 0 0 470.950 4.070 50 0 JIAARN CC(C)n1c(S[C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)nc2ccccc2c1=O ZINC000012813259 195145482 /nfs/dbraw/zinc/14/54/82/195145482.db2.gz FWJRXNQRQNLHKX-SIGOSDGXSA-N 0 0 468.623 4.253 50 0 JIAARN CCc1ccc(C([C@H]2C(=O)c3ccccc3N(C)C2=O)[C@H]2C(=O)c3ccccc3N(C)C2=O)cc1 ZINC000012814239 195146074 /nfs/dbraw/zinc/14/60/74/195146074.db2.gz ZKVNXSKLYCPJID-DQEYMECFSA-N 0 0 466.537 4.284 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)/C=C/c2cc(Br)ccc2F)CC1 ZINC000012814671 195146268 /nfs/dbraw/zinc/14/62/68/195146268.db2.gz ABWCOPWCJHIWAM-RMKNXTFCSA-N 0 0 474.374 4.001 50 0 JIAARN COc1ccc2c(c1)CCC[C@]21NC(=O)N([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1=O ZINC000012815037 195146627 /nfs/dbraw/zinc/14/66/27/195146627.db2.gz MGVOUMHCKUGSOX-WRHNGFHOSA-N 0 0 469.541 4.473 50 0 JIAARN Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c1 ZINC000012816892 195147361 /nfs/dbraw/zinc/14/73/61/195147361.db2.gz DVSLXELEWVDTRZ-UHFFFAOYSA-N 0 0 478.614 4.292 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc1 ZINC000012819221 195148513 /nfs/dbraw/zinc/14/85/13/195148513.db2.gz ZUFJTXIPDDNGGA-UHFFFAOYSA-N 0 0 484.662 4.470 50 0 JIAARN COCCCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)c1C ZINC000012818951 195148522 /nfs/dbraw/zinc/14/85/22/195148522.db2.gz AAGAWEAXUUZRDA-LJQANCHMSA-N 0 0 469.607 4.005 50 0 JIAARN COc1ccccc1CNC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Cl ZINC000012819788 195148892 /nfs/dbraw/zinc/14/88/92/195148892.db2.gz FATIVEDJCBEPKD-UHFFFAOYSA-N 0 0 472.994 4.246 50 0 JIAARN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)c1cccc(Cl)c1 ZINC000012820827 195149170 /nfs/dbraw/zinc/14/91/70/195149170.db2.gz AJZFAWXEVPXOEK-RBSFLKMASA-N 0 0 471.406 4.282 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CSc2ccc(Br)cc2C)cc1 ZINC000012823032 195150099 /nfs/dbraw/zinc/15/00/99/195150099.db2.gz OVXFRWVLKLXLSK-ZDUSSCGKSA-N 0 0 465.369 4.378 50 0 JIAARN CCCCn1c(N)c(N(CCC)C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)c(=O)[nH]c1=O ZINC000012822710 195150122 /nfs/dbraw/zinc/15/01/22/195150122.db2.gz GPIJIMIHQQIMOU-UHFFFAOYSA-N 0 0 469.611 4.223 50 0 JIAARN Cc1ccccc1CN(C)C(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)c1 ZINC000012847135 195152724 /nfs/dbraw/zinc/15/27/24/195152724.db2.gz XLBXCMGBOQAXAL-JOCHJYFZSA-N 0 0 478.618 4.080 50 0 JIAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000012851452 195155107 /nfs/dbraw/zinc/15/51/07/195155107.db2.gz CJNQJTPNKVXBBK-UHFFFAOYSA-N 0 0 478.405 4.336 50 0 JIAARN C[C@@H](NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000012867415 195162028 /nfs/dbraw/zinc/16/20/28/195162028.db2.gz FLDTZFHULLIJEZ-GFCCVEGCSA-N 0 0 471.863 4.471 50 0 JIAARN COc1ccc(CN(C)C(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)c(OC)c1OC ZINC000012868230 195162384 /nfs/dbraw/zinc/16/23/84/195162384.db2.gz TUZZLGVEKMJYJF-UHFFFAOYSA-N 0 0 476.573 4.376 50 0 JIAARN C[C@@]12c3[nH]c4ccccc4c3[C@H](c3ccc(Cl)cc3)CN1C(=O)CN(CCCCCO)C2=O ZINC000012872966 195164407 /nfs/dbraw/zinc/16/44/07/195164407.db2.gz YWFYBHROXOHVSL-FNZWTVRRSA-N 0 0 465.981 4.015 50 0 biogenic JIAARN C[C@@]12c3[nH]c4ccccc4c3[C@@H](c3ccc(Cl)cc3)CN1C(=O)CN(CCCCCO)C2=O ZINC000012872974 195164413 /nfs/dbraw/zinc/16/44/13/195164413.db2.gz YWFYBHROXOHVSL-IBVKSMDESA-N 0 0 465.981 4.015 50 0 biogenic JIAARN COc1ccc([C@H]2CN3C(=O)CN(Cc4cccc(OC)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000012873524 195164709 /nfs/dbraw/zinc/16/47/09/195164709.db2.gz ZIMQSYNSKDAHLM-HLADLETHSA-N 0 0 495.579 4.417 50 0 biogenic JIAARN O=C(c1ccc(SCc2cscn2)cc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012875416 195165818 /nfs/dbraw/zinc/16/58/18/195165818.db2.gz BVVMOPOGLOWZEK-UHFFFAOYSA-N 0 0 491.635 4.111 50 0 JIAARN COc1cc([C@@H]2CN3C(=O)CN(C(C)C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C ZINC000012875683 195165952 /nfs/dbraw/zinc/16/59/52/195165952.db2.gz HFYOKIUYDALFIO-MMTVBGGISA-N 0 0 475.589 4.404 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(Cl)cc3Cl)C2)s1 ZINC000012876120 195166190 /nfs/dbraw/zinc/16/61/90/195166190.db2.gz PXHAQPJGLWIADX-HNNXBMFYSA-N 0 0 461.436 4.123 50 0 JIAARN CN(CC(=O)Nc1cc2c(cc1Cl)OCCCO2)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012899584 195176847 /nfs/dbraw/zinc/17/68/47/195176847.db2.gz WGJKZEGZCICXKE-UHFFFAOYSA-N 0 0 472.756 4.317 50 0 JIAARN Nc1nc(CSc2nnc(NCCc3ccccc3)s2)nc(Nc2ccc(F)cc2)n1 ZINC000012886697 195170659 /nfs/dbraw/zinc/17/06/59/195170659.db2.gz MZSVRFHAWKDKMH-UHFFFAOYSA-N 0 0 454.560 4.135 50 0 JIAARN CN(c1ccc(-c2csc(NC(=O)COc3cccc4ccccc43)n2)cc1)S(C)(=O)=O ZINC000012886535 195170769 /nfs/dbraw/zinc/17/07/69/195170769.db2.gz YORHCJYPCNNLIM-UHFFFAOYSA-N 0 0 467.572 4.377 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000012888995 195171794 /nfs/dbraw/zinc/17/17/94/195171794.db2.gz AAILRALTNMTMKQ-OAHLLOKOSA-N 0 0 471.406 4.039 50 0 JIAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCCc1ccccc1 ZINC000012889366 195171985 /nfs/dbraw/zinc/17/19/85/195171985.db2.gz DLSXBFKCAFBQHX-OBTVHEKISA-N 0 0 493.673 4.315 50 0 biogenic JIAARN COc1ccc(CCCN(C)C(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1OC ZINC000012889335 195172019 /nfs/dbraw/zinc/17/20/19/195172019.db2.gz RVDAOPKSPCUAPT-UHFFFAOYSA-N 0 0 460.983 4.393 50 0 JIAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1c(C)c(C)sc1-n1c(C)ccc1C ZINC000012890929 195172853 /nfs/dbraw/zinc/17/28/53/195172853.db2.gz DCUXXGOGDDTIAK-UHFFFAOYSA-N 0 0 461.609 4.284 50 0 JIAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000012892417 195173584 /nfs/dbraw/zinc/17/35/84/195173584.db2.gz QHBFOXAPNOBCEU-SFHVURJKSA-N 0 0 483.977 4.128 50 0 JIAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000012898534 195176409 /nfs/dbraw/zinc/17/64/09/195176409.db2.gz CUEGPJOYJQYXFB-UHFFFAOYSA-N 0 0 451.906 4.428 50 0 JIAARN Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4nnc(C5CCCCC5)s4)CC3=O)c2c1 ZINC000012863085 195160225 /nfs/dbraw/zinc/16/02/25/195160225.db2.gz WHHAGZADGHZWHZ-SFHVURJKSA-N 0 0 451.596 4.405 50 0 JIAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4ccc5c(c4)OCCO5)c(C)c13)CCC(C)(C)O2 ZINC000012902013 195177835 /nfs/dbraw/zinc/17/78/35/195177835.db2.gz LRCCDRZKORHCFL-UHFFFAOYSA-N 0 0 465.502 4.166 50 0 biogenic JIAARN CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(OC)cc2)=N[C@@H]1c1ccc(OC)cc1 ZINC000020609290 195182414 /nfs/dbraw/zinc/18/24/14/195182414.db2.gz QSFSMOFLHRHRCG-JOCHJYFZSA-N 0 0 454.548 4.157 50 0 JIAARN CCn1cc(CN2CCN(C(=O)c3cc4c(C(F)(F)F)nn(-c5ccccc5)c4s3)CC2)cn1 ZINC000020615892 195187509 /nfs/dbraw/zinc/18/75/09/195187509.db2.gz VFVINRADYRRIPB-UHFFFAOYSA-N 0 0 488.539 4.280 50 0 JIAARN COC(=O)c1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(C)c2)cc1 ZINC000020617212 195188924 /nfs/dbraw/zinc/18/89/24/195188924.db2.gz WIIHAVFNBAHGCN-GNVQSUKOSA-N 0 0 457.486 4.208 50 0 JIAARN Cn1cc(C(=O)NCc2cc3c(s2)CCCC3)c(C(=O)NCc2cc3c(s2)CCCC3)n1 ZINC000020617362 195189354 /nfs/dbraw/zinc/18/93/54/195189354.db2.gz MWOPASGXLRIREU-UHFFFAOYSA-N 0 0 468.648 4.161 50 0 JIAARN Cn1c(CN2CCN(C(=O)c3ccccc3)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000020677113 195201913 /nfs/dbraw/zinc/20/19/13/195201913.db2.gz QAXPWHUTSAJFSM-UHFFFAOYSA-N 0 0 487.991 4.437 50 0 JIAARN Cc1cccc(CN2c3cc(C(=O)NCCN4CCOCC4)ccc3Sc3ccccc3C2=O)c1 ZINC000020680997 195204143 /nfs/dbraw/zinc/20/41/43/195204143.db2.gz HCIFCVXECDCLNE-UHFFFAOYSA-N 0 0 487.625 4.369 50 0 JIAARN COCCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000020735867 195212748 /nfs/dbraw/zinc/21/27/48/195212748.db2.gz CQGYSERJJYGEBJ-XIFFEERXSA-N 0 0 482.989 4.433 50 0 JIAARN COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1 ZINC000020720968 195206718 /nfs/dbraw/zinc/20/67/18/195206718.db2.gz QGUMUQNBOZNOEG-IBGZPJMESA-N 0 0 455.312 4.138 50 0 JIAARN COc1ccccc1C(=O)Nc1nc(-c2nnn(-c3cc(Cl)c(OC)cc3OC)c2C)ns1 ZINC000020848831 195230540 /nfs/dbraw/zinc/23/05/40/195230540.db2.gz KGVVQHTVJKXRJW-UHFFFAOYSA-N 0 0 486.941 4.026 50 0 JIAARN CC(C)NC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000020736161 195213098 /nfs/dbraw/zinc/21/30/98/195213098.db2.gz AHSWURNQVZWSHU-UHFFFAOYSA-N 0 0 468.962 4.471 50 0 JIAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCCSc1ccc(C)cc1 ZINC000020895433 195239314 /nfs/dbraw/zinc/23/93/14/195239314.db2.gz RJGXMEDSGGMBCK-OAQYLSRUSA-N 0 0 459.593 4.176 50 0 JIAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Br)c1OCc1ccccc1C ZINC000020895632 195239536 /nfs/dbraw/zinc/23/95/36/195239536.db2.gz TVDJFDHCMYJFFF-HXUWFJFHSA-N 0 0 492.395 4.346 50 0 JIAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000020895636 195239659 /nfs/dbraw/zinc/23/96/59/195239659.db2.gz OAXFGKCQPRTFMX-HXUWFJFHSA-N 0 0 492.395 4.346 50 0 JIAARN COc1ccc(Cn2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3cccc(C)c3C)c2=O)cc1 ZINC000020921389 195248042 /nfs/dbraw/zinc/24/80/42/195248042.db2.gz SUHVBZANNOSAFC-UHFFFAOYSA-N 0 0 483.524 4.222 50 0 JIAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020899867 195241130 /nfs/dbraw/zinc/24/11/30/195241130.db2.gz AIKOUBNSYCFTPG-UHFFFAOYSA-N 0 0 451.367 4.308 50 0 JIAARN NC(=O)Nc1cccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000020917468 195246602 /nfs/dbraw/zinc/24/66/02/195246602.db2.gz QQWJZTKQFITLHX-UHFFFAOYSA-N 0 0 450.489 4.003 50 0 JIAARN O=C(c1cc(S(=O)(=O)N2CCCCC2)c[nH]1)N(CCc1ccccc1)Cc1ccccc1 ZINC000020917882 195246825 /nfs/dbraw/zinc/24/68/25/195246825.db2.gz CYYZAXZACUSRHX-UHFFFAOYSA-N 0 0 451.592 4.074 50 0 JIAARN Cc1ccc(-c2nnc(SCC(=O)NCCC(c3ccccc3)c3ccccc3)n2N)cc1 ZINC000020888516 195236479 /nfs/dbraw/zinc/23/64/79/195236479.db2.gz MMGQHZFLLCOJKR-UHFFFAOYSA-N 0 0 457.603 4.398 50 0 JIAARN CC[C@@H](C(=O)NCc1ccccc1C)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937834 195253971 /nfs/dbraw/zinc/25/39/71/195253971.db2.gz SXZCHFRUBYIRPU-QHCPKHFHSA-N 0 0 453.608 4.392 50 0 JIAARN COC(=O)c1ccccc1NC(=O)Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020939648 195254850 /nfs/dbraw/zinc/25/48/50/195254850.db2.gz AEVYJCVAYOUDGK-UHFFFAOYSA-N 0 0 462.531 4.194 50 0 JIAARN CCOc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000020942359 195256132 /nfs/dbraw/zinc/25/61/32/195256132.db2.gz BBVYBGWFQIVPAC-UHFFFAOYSA-N 0 0 487.512 4.275 50 0 JIAARN CCn1cc2nc(SCC(=O)Nc3ccc(C)c(C)c3)n(Cc3ccc(C)cc3)c(=O)c2n1 ZINC000020981569 195259182 /nfs/dbraw/zinc/25/91/82/195259182.db2.gz IBXLPJCRZKISBK-UHFFFAOYSA-N 0 0 461.591 4.317 50 0 JIAARN Cc1cccc(Cn2cc3c(=O)n(CC(=O)NCc4ccc(F)cc4)nc-3c3cc(F)ccc32)c1 ZINC000020937175 195253385 /nfs/dbraw/zinc/25/33/85/195253385.db2.gz TZALYOGYDONXLS-UHFFFAOYSA-N 0 0 472.495 4.254 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCCSc4ccccc43)c2)on1 ZINC000020985187 195260236 /nfs/dbraw/zinc/26/02/36/195260236.db2.gz BMPJMDBFTOSZIZ-UHFFFAOYSA-N 0 0 474.560 4.218 50 0 JIAARN COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cccs2)C1 ZINC000020995379 195263909 /nfs/dbraw/zinc/26/39/09/195263909.db2.gz UQWCLGYGZWBLEU-FLVLSHQESA-N 0 0 487.603 4.263 50 0 JIAARN Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCC2)C1 ZINC000020995313 195263948 /nfs/dbraw/zinc/26/39/48/195263948.db2.gz YJXDSVNEPVATGK-HHNLSAEISA-N 0 0 477.652 4.455 50 0 JIAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2C)C1 ZINC000020995439 195264141 /nfs/dbraw/zinc/26/41/41/195264141.db2.gz QBWUVRNALMINKF-SINXNMPMSA-N 0 0 469.563 4.403 50 0 JIAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C)ccc2C)C1 ZINC000020995436 195264300 /nfs/dbraw/zinc/26/43/00/195264300.db2.gz IHFXHLJFCDLQLN-VYENPZKTSA-N 0 0 469.563 4.403 50 0 JIAARN O=C(NCCc1nc2cc(Cl)ccc2[nH]1)c1ccc(-c2ccsc2)nc1N1CCOCC1 ZINC000020998198 195265055 /nfs/dbraw/zinc/26/50/55/195265055.db2.gz DXDNTFPXYNHSLR-UHFFFAOYSA-N 0 0 467.982 4.149 50 0 JIAARN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(C)n1C ZINC000021030410 195269711 /nfs/dbraw/zinc/26/97/11/195269711.db2.gz RHBBBGXOEBCQDZ-UHFFFAOYSA-N 0 0 471.667 4.157 50 0 JIAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1)C(=O)N1CCC(C)CC1 ZINC000021140108 195281121 /nfs/dbraw/zinc/28/11/21/195281121.db2.gz ZQNOJYKGZFWDDI-ZWKOTPCHSA-N 0 0 453.612 4.345 50 0 JIAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC4(CC3)Nc3cc(F)ccc3-n3cccc34)cc2C[C@H]1C ZINC000021152560 195283576 /nfs/dbraw/zinc/28/35/76/195283576.db2.gz YSQHUVPSWJAQSE-QGZVFWFLSA-N 0 0 494.592 4.019 50 0 biogenic JIAARN COc1ccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4/C=C/c2ccccc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000021176412 195290075 /nfs/dbraw/zinc/29/00/75/195290075.db2.gz JOHYNHLDSHAVHX-RBNQXFGJSA-N 0 0 471.557 4.234 50 0 JIAARN COc1cc(C(=O)COC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)ccc1OC(F)F ZINC000021228359 195291839 /nfs/dbraw/zinc/29/18/39/195291839.db2.gz SEWBQEKKIOEIMI-MOPGFXCFSA-N 0 0 487.499 4.418 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3n2C)cc1OC ZINC000021357041 195297798 /nfs/dbraw/zinc/29/77/98/195297798.db2.gz LHNNHSMETQDVSY-UHFFFAOYSA-N 0 0 451.548 4.177 50 0 JIAARN CCOc1ccccc1N1CCN(c2ccc(SCC(=O)Nc3cc(C)ccc3OC)nn2)CC1 ZINC000021357872 195297804 /nfs/dbraw/zinc/29/78/04/195297804.db2.gz ZRPGMEPPHYYXER-UHFFFAOYSA-N 0 0 493.633 4.250 50 0 JIAARN COC(=O)c1cccc(NC(=O)Nc2cccc(-c3nnc(Cc4ccc5c(c4)OCO5)o3)c2)c1 ZINC000021358976 195298388 /nfs/dbraw/zinc/29/83/88/195298388.db2.gz CCUOBMZDZAIBRX-UHFFFAOYSA-N 0 0 472.457 4.487 50 0 JIAARN COc1cccc(OC)c1C(=O)Nc1nnc(SCc2nnc(-c3ccccc3C)o2)s1 ZINC000021359186 195298716 /nfs/dbraw/zinc/29/87/16/195298716.db2.gz CDLIXTYLSVOUDN-UHFFFAOYSA-N 0 0 469.548 4.458 50 0 JIAARN CCCn1c(=O)c2sc(N3CCC(C)CC3)nc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O ZINC000021359620 195298744 /nfs/dbraw/zinc/29/87/44/195298744.db2.gz VSNRSNZUXIOAPS-UHFFFAOYSA-N 0 0 483.638 4.028 50 0 JIAARN Cc1cccc(-c2c3c(c4n2-c2ccccc2N[C@H]4c2ccc4c(c2)OCO4)n(C)c(=O)n(C)c3=O)c1 ZINC000021524902 195304359 /nfs/dbraw/zinc/30/43/59/195304359.db2.gz FPZGHMWSHPCWLM-DEOSSOPVSA-N 0 0 492.535 4.247 50 0 JIAARN Cc1ccc([C@@H]2Nc3ccccc3-n3c(-c4ccc(C)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)o1 ZINC000021524894 195304422 /nfs/dbraw/zinc/30/44/22/195304422.db2.gz UPCIOGUKXZZSCL-QFIPXVFZSA-N 0 0 452.514 4.420 50 0 JIAARN COc1ccc(-c2c3c(c4n2-c2ccccc2N[C@@H]4c2ccc(C)o2)n(C)c(=O)n(C)c3=O)cc1 ZINC000021524935 195304451 /nfs/dbraw/zinc/30/44/51/195304451.db2.gz WKPWEWBNSUBCQR-JOCHJYFZSA-N 0 0 468.513 4.120 50 0 JIAARN CCOCCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021527538 195306031 /nfs/dbraw/zinc/30/60/31/195306031.db2.gz JBMDGQXLBDLZKI-HHHXNRCGSA-N 0 0 485.625 4.139 50 0 JIAARN COc1ccc(CNC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)c(OC)c1 ZINC000021531248 195309725 /nfs/dbraw/zinc/30/97/25/195309725.db2.gz SXOODMNHKKEZFX-UHFFFAOYSA-N 0 0 464.547 4.173 50 0 JIAARN CCOc1ccc(CN(C(=O)c2cc(-c3ccc(C)c(F)c3)on2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000021787843 195321819 /nfs/dbraw/zinc/32/18/19/195321819.db2.gz XZWAYOGQTDQWAX-LJQANCHMSA-N 0 0 472.538 4.017 50 0 JIAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C)c(OCc3cc(=O)n4c(ncn4C(C)C)n3)c2)c1 ZINC000021797172 195322861 /nfs/dbraw/zinc/32/28/61/195322861.db2.gz YLMMRFVNICZXSW-IBGZPJMESA-N 0 0 475.549 4.074 50 0 JIAARN CCSc1nn(CC(=O)Nc2ccc(Cl)cc2)c(N)c1S(=O)(=O)c1ccc(C)cc1 ZINC000021911048 195329297 /nfs/dbraw/zinc/32/92/97/195329297.db2.gz CJGFWDJAZLLMSV-UHFFFAOYSA-N 0 0 465.000 4.011 50 0 JIAARN COc1ccccc1CNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1Cc1ccco1 ZINC000021912194 195330343 /nfs/dbraw/zinc/33/03/43/195330343.db2.gz KOIYLOOMJIAZNV-DEOSSOPVSA-N 0 0 475.570 4.272 50 0 JIAARN Cc1cc(C)n(Cc2cccc(CNC(=O)C[C@](O)(c3nc4ccccc4o3)C(F)(F)F)c2)n1 ZINC000058378351 195378654 /nfs/dbraw/zinc/37/86/54/195378654.db2.gz UGSDWZVZOFAKFP-QHCPKHFHSA-N 0 0 472.467 4.146 50 0 JIAARN Cc1cc(NC(=O)C2CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)ccc1Br ZINC000021940941 195338940 /nfs/dbraw/zinc/33/89/40/195338940.db2.gz QJYGKEVLUHVYLY-UHFFFAOYSA-N 0 0 468.355 4.034 50 0 JIAARN CCN(C(=O)Cn1c2ccsc2c(=O)n(Cc2ccc(C)c(C)c2)c1=O)c1cccc(C)c1 ZINC000057426930 195341319 /nfs/dbraw/zinc/34/13/19/195341319.db2.gz CXESOMWXVLQMMD-UHFFFAOYSA-N 0 0 461.587 4.251 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000057472942 195342834 /nfs/dbraw/zinc/34/28/34/195342834.db2.gz PKLLZZVJJDKCNA-UHFFFAOYSA-N 0 0 468.340 4.465 50 0 JIAARN COc1cccc(Cn2c(=O)c3sccc3nc2SCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000057478630 195344198 /nfs/dbraw/zinc/34/41/98/195344198.db2.gz WLPZWXUKSOSGTD-HZPDHXFCSA-N 0 0 457.621 4.112 50 0 JIAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3Cl)c2=O)cc1C ZINC000057491300 195347096 /nfs/dbraw/zinc/34/70/96/195347096.db2.gz DJCWFBSEUWDFQN-UHFFFAOYSA-N 0 0 457.914 4.262 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)c(C)c3)c2=O)cc1Cl ZINC000057494288 195348167 /nfs/dbraw/zinc/34/81/67/195348167.db2.gz KUHARTCEFYHPMD-UHFFFAOYSA-N 0 0 457.914 4.262 50 0 JIAARN CCc1cccc(C)c1NC(=O)Cn1c2ccsc2c(=O)n(CCc2cccs2)c1=O ZINC000057493963 195348194 /nfs/dbraw/zinc/34/81/94/195348194.db2.gz YNAVGIZWXRXYJO-UHFFFAOYSA-N 0 0 453.589 4.038 50 0 JIAARN Cc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2F)c(Nc2ccc(F)c(C)c2)n1 ZINC000057507678 195349489 /nfs/dbraw/zinc/34/94/89/195349489.db2.gz XEHJUDLTSQNFIA-UHFFFAOYSA-N 0 0 463.282 4.283 50 0 JIAARN CCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2c3ccccc3oc2c1=O ZINC000057523184 195350216 /nfs/dbraw/zinc/35/02/16/195350216.db2.gz HTLHKFQJBUALFO-UHFFFAOYSA-N 0 0 451.504 4.070 50 0 JIAARN CCCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2c3ccccc3oc2c1=O ZINC000057523155 195350226 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/nfs/dbraw/zinc/95/23/23/523952323.db2.gz LUGWXLXPICQDRS-WUZNFDRSSA-N 0 0 474.580 4.195 50 0 JIAARN CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000012455478 523952735 /nfs/dbraw/zinc/95/27/35/523952735.db2.gz DSRMPBCLRHQRLW-HHHXNRCGSA-N 0 0 483.616 4.066 50 0 JIAARN CCc1ccc(Cn2c3nn(Cc4ccccc4Cl)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946541 523954021 /nfs/dbraw/zinc/95/40/21/523954021.db2.gz NKLWRXJULMGTBZ-UHFFFAOYSA-N 0 0 450.951 4.185 50 0 JIAARN CN(C(=O)c1ccsc1)[C@H](Cc1ccccc1)C1CCN(C(=O)Cc2cscn2)CC1 ZINC000014981970 523956524 /nfs/dbraw/zinc/95/65/24/523956524.db2.gz YWIBSTVUAKRKLQ-JOCHJYFZSA-N 0 0 453.633 4.369 50 0 JIAARN CCc1ccc(N(C(C)=O)c2nc(COC(=O)CCN3C(=O)COc4ccccc43)cs2)cc1 ZINC000017990042 523956675 /nfs/dbraw/zinc/95/66/75/523956675.db2.gz MLTBDIULLBSICG-UHFFFAOYSA-N 0 0 479.558 4.249 50 0 JIAARN CCc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016425240 523959759 /nfs/dbraw/zinc/95/97/59/523959759.db2.gz AHODNDAZEBFRMV-UHFFFAOYSA-N 0 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CCc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064931075 524011942 /nfs/dbraw/zinc/01/19/42/524011942.db2.gz KOTKGVRANIKJGF-SFHVURJKSA-N 0 0 460.556 4.018 50 0 JIAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(NCc4ccc(F)cc4)nc23)cc1 ZINC000020516430 524018424 /nfs/dbraw/zinc/01/84/24/524018424.db2.gz PCGNRFKYWSRHJV-UHFFFAOYSA-N 0 0 467.551 4.485 50 0 JIAARN COc1ccc(CN2C(=O)[C@@](NC(=O)c3ccccc3C)(C(F)(F)F)N=C2c2ccccc2)cc1 ZINC000020101960 524020519 /nfs/dbraw/zinc/02/05/19/524020519.db2.gz WWRFTTWLWKHUEK-RUZDIDTESA-N 0 0 481.474 4.481 50 0 JIAARN COc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1OC ZINC000021857126 524021234 /nfs/dbraw/zinc/02/12/34/524021234.db2.gz MXTDERYBEOETTM-HHHXNRCGSA-N 0 0 461.562 4.132 50 0 JIAARN COc1ccc(CN2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021862040 524022124 /nfs/dbraw/zinc/02/21/24/524022124.db2.gz PGLHOMMGDKYNIX-MHZLTWQESA-N 0 0 460.578 4.299 50 0 JIAARN COc1ccc(CN2CC(=O)N3[C@H](c4cccc(OC)c4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002107062 524023022 /nfs/dbraw/zinc/02/30/22/524023022.db2.gz JAAKTFVBDMNVRA-LBNVMWSVSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN CCc1ccc([C@@H](C)NC(=O)c2ccc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)cc1 ZINC000033028209 524023680 /nfs/dbraw/zinc/02/36/80/524023680.db2.gz KQKCDOPTCANZTB-GOSISDBHSA-N 0 0 479.602 4.177 50 0 JIAARN CN1c2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)cc2-c2ccccc2S1(=O)=O ZINC000033088624 524032335 /nfs/dbraw/zinc/03/23/35/524032335.db2.gz CPRVKVIVGOFLGV-UHFFFAOYSA-N 0 0 487.537 4.267 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3nc4ccsc4c(=O)n3Cc3ccccc3)CC2)cc1 ZINC000033302414 524047036 /nfs/dbraw/zinc/04/70/36/524047036.db2.gz AVAKYIFTENDLSV-UHFFFAOYSA-N 0 0 488.613 4.048 50 0 JIAARN COc1ccc(CNC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1OC ZINC000067289986 524053981 /nfs/dbraw/zinc/05/39/81/524053981.db2.gz SHSNICQEDSARLP-UHFFFAOYSA-N 0 0 462.575 4.439 50 0 JIAARN COc1ccc(CNC(=O)Cn2c3ccccc3nc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000033050827 524055535 /nfs/dbraw/zinc/05/55/35/524055535.db2.gz ZPINDDBQBJWZIQ-UHFFFAOYSA-N 0 0 478.549 4.231 50 0 JIAARN COc1ccc(CNC(=O)c2cc(NCc3ccccc3F)cc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000014744554 524065655 /nfs/dbraw/zinc/06/56/55/524065655.db2.gz JVMSNLMULCIOFJ-UHFFFAOYSA-N 0 0 497.592 4.161 50 0 JIAARN CCc1cccc(C)c1NS(=O)(=O)c1cc(-c2c(C)nn3c2NC(=O)CCC3=O)ccc1C ZINC000033123105 524066125 /nfs/dbraw/zinc/06/61/25/524066125.db2.gz JBPXPRDPRQJUID-UHFFFAOYSA-N 0 0 466.563 4.211 50 0 JIAARN Cc1ccc(C)c(Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCCC3)c2=O)c1 ZINC000045896536 524112284 /nfs/dbraw/zinc/11/22/84/524112284.db2.gz BUKPATZFNMYLJF-UHFFFAOYSA-N 0 0 461.606 4.448 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)CCc3nnc4ccc(-c5ccc(C)c(C)c5)nn43)CC2)c1 ZINC000033309493 524121983 /nfs/dbraw/zinc/12/19/83/524121983.db2.gz KDAHYGYUVSJXOC-UHFFFAOYSA-N 0 0 468.605 4.306 50 0 JIAARN Cc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)o2)c1 ZINC000012515636 524125505 /nfs/dbraw/zinc/12/55/05/524125505.db2.gz DXROEMBDLQIMIT-UHFFFAOYSA-N 0 0 474.542 4.439 50 0 JIAARN Cc1ccc(C)c(N2CCN(c3ccnc(SCC(=O)NCc4ccc(Cl)cc4)n3)CC2)c1 ZINC000065151416 524127401 /nfs/dbraw/zinc/12/74/01/524127401.db2.gz OSCSKITYEWGUHS-UHFFFAOYSA-N 0 0 482.053 4.482 50 0 JIAARN Cc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)NCc3ccccc3)C2)c1 ZINC000033302546 524137864 /nfs/dbraw/zinc/13/78/64/524137864.db2.gz CLJMBSXEOGRHGD-HXUWFJFHSA-N 0 0 458.587 4.288 50 0 JIAARN COc1ccc(C[C@@]2(CCC(=O)NC[C@@]3(c4ccccc4)CC3(C)C)CCC(=O)N2)c(F)c1 ZINC000014884134 524145122 /nfs/dbraw/zinc/14/51/22/524145122.db2.gz PECPQJATQLIDJV-KAYWLYCHSA-N 0 0 452.570 4.290 50 0 JIAARN Cc1cccc(C(=O)N2CCC([C@H](NC(=O)c3ccccc3C)C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000036210828 524169235 /nfs/dbraw/zinc/16/92/35/524169235.db2.gz GEBAPMIBKBKNDZ-OFVILXPXSA-N 0 0 463.622 4.115 50 0 JIAARN Cc1cc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c2cnn(Cc3cccs3)c2n1 ZINC000072260209 524179867 /nfs/dbraw/zinc/17/98/67/524179867.db2.gz POMKPTYQMKJOMV-KRWDZBQOSA-N 0 0 475.574 4.011 50 0 JIAARN COc1cccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000036060255 524181536 /nfs/dbraw/zinc/18/15/36/524181536.db2.gz GZXAWWCVYKZALO-DHIUTWEWSA-N 0 0 492.959 4.250 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4cccc(F)c4)s3)CC2)c1 ZINC000033114144 524187763 /nfs/dbraw/zinc/18/77/63/524187763.db2.gz HMYYMPORMWRMPC-UHFFFAOYSA-N 0 0 474.583 4.115 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000064988749 524231246 /nfs/dbraw/zinc/23/12/46/524231246.db2.gz OJIINURYCRITOX-UHFFFAOYSA-N 0 0 460.937 4.422 50 0 JIAARN COc1cccc2c1Oc1ccccc1N=C2N1CCN(S(=O)(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000034814730 524248182 /nfs/dbraw/zinc/24/81/82/524248182.db2.gz FRGKISQFCABCRJ-KRWDZBQOSA-N 0 0 481.549 4.413 50 0 JIAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccccc2F)s1 ZINC000064941829 524250680 /nfs/dbraw/zinc/25/06/80/524250680.db2.gz YJAFZCUZIHPCAO-HNNXBMFYSA-N 0 0 496.973 4.117 50 0 JIAARN Cc1cccc(C)c1NC(=O)Cn1c(=O)cc(C(=O)N2CCc3ccccc3C2)c2ccccc21 ZINC000012462939 524283725 /nfs/dbraw/zinc/28/37/25/524283725.db2.gz XUHLSWWHVWMZTM-UHFFFAOYSA-N 0 0 465.553 4.456 50 0 biogenic,in-vitro JIAARN COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n1N ZINC000036213821 524291520 /nfs/dbraw/zinc/29/15/20/524291520.db2.gz OIXGSFAJXWBRRC-NEPJUHHUSA-N 0 0 466.394 4.332 50 0 JIAARN COc1ccccc1-n1c2ncn(Cc3cccc(Cl)c3)c2c(=O)n(C2CCCC2)c1=O ZINC000034693014 524302945 /nfs/dbraw/zinc/30/29/45/524302945.db2.gz QKYPGEVEVHRALP-UHFFFAOYSA-N 0 0 450.926 4.174 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)cc1C ZINC000033114183 524316127 /nfs/dbraw/zinc/31/61/27/524316127.db2.gz MJTTZUJGGQIFNN-UHFFFAOYSA-N 0 0 488.610 4.423 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000033254093 524325192 /nfs/dbraw/zinc/32/51/92/524325192.db2.gz LEIBZXMBRZQIGZ-OAQYLSRUSA-N 0 0 485.650 4.423 50 0 JIAARN Cc1ccc(CCNC(=O)CCCn2c(=O)c3cccn3c3ccc(Br)cc32)cc1 ZINC000033031994 524325577 /nfs/dbraw/zinc/32/55/77/524325577.db2.gz XVHLRVZGXFTCRN-UHFFFAOYSA-N 0 0 466.379 4.464 50 0 JIAARN COc1ccccc1C(=O)C[C@]1(O)c2ccccc2N(CCOc2ccc(Cl)cc2)C1=O ZINC000068713256 524337236 /nfs/dbraw/zinc/33/72/36/524337236.db2.gz IJASZPOTSQUGHL-VWLOTQADSA-N 0 0 451.906 4.235 50 0 JIAARN COc1ccccc1C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1 ZINC000027016763 524359885 /nfs/dbraw/zinc/35/98/85/524359885.db2.gz GIHAREFWUACRLU-UHFFFAOYSA-N 0 0 457.577 4.246 50 0 JIAARN COc1ccccc1C1(CNC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000070038965 524370371 /nfs/dbraw/zinc/37/03/71/524370371.db2.gz KHKHQWXWZIGQAX-UHFFFAOYSA-N 0 0 485.650 4.055 50 0 JIAARN COc1ccccc1C1CCN(C(=O)CSc2nnc(NC(=O)c3ccccc3)s2)CC1 ZINC000012340377 524376111 /nfs/dbraw/zinc/37/61/11/524376111.db2.gz WGNLHZSCGIREBU-UHFFFAOYSA-N 0 0 468.604 4.297 50 0 JIAARN Cc1cccc(CN2CCCN(c3cccc(C(=O)NCc4ccc5c(c4)OCO5)c3)C2=O)c1 ZINC000035180960 524394040 /nfs/dbraw/zinc/39/40/40/524394040.db2.gz SVEWVPXTRWUDGU-UHFFFAOYSA-N 0 0 457.530 4.486 50 0 JIAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCc3cccs3)C2=S)cc1 ZINC000012420773 524394186 /nfs/dbraw/zinc/39/41/86/524394186.db2.gz VWNUVVCNZSOZCE-OAQYLSRUSA-N 0 0 483.590 4.469 50 0 JIAARN Cc1cc(C)cc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 ZINC000020436943 524407431 /nfs/dbraw/zinc/40/74/31/524407431.db2.gz VZISMKUWDOJRMM-OALUTQOASA-N 0 0 497.564 4.036 50 0 JIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C[C@@H]2CCCO2)C(=O)Cc2ccccc2)o1 ZINC000033408727 524414187 /nfs/dbraw/zinc/41/41/87/524414187.db2.gz VPHXECFSBUFFLU-SANMLTNESA-N 0 0 474.601 4.410 50 0 JIAARN COc1ccccc1CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036255683 524417792 /nfs/dbraw/zinc/41/77/92/524417792.db2.gz VDINOANXAJCXRJ-RUZDIDTESA-N 0 0 484.040 4.024 50 0 JIAARN COc1ccccc1CCNC(=O)c1csc(CN2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000034685355 524420102 /nfs/dbraw/zinc/42/01/02/524420102.db2.gz LKLHTAHYHOWBSK-UHFFFAOYSA-N 0 0 471.026 4.100 50 0 JIAARN COc1ccccc1CCNC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc21 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Cc1ccc(Cn2c3ccccc3n(CCC(=O)NCCc3c[nH]c4ccc(C)cc34)c(=O)c2=O)cc1 ZINC000033272524 524768925 /nfs/dbraw/zinc/76/89/25/524768925.db2.gz JSUMZMZERFOAJG-UHFFFAOYSA-N 0 0 494.595 4.059 50 0 JIAARN COc1ccc(OC)c(-c2csc(NC(=O)c3ccccc3S(=O)(=O)N3CCCCC3)n2)c1 ZINC000014791477 524796551 /nfs/dbraw/zinc/79/65/51/524796551.db2.gz DATRYZIOVOTICL-UHFFFAOYSA-N 0 0 487.603 4.254 50 0 JIAARN COc1ccc(OC)c(C(=O)c2ccc(C(=O)NC[C@H]3Cc4cccc(-c5ncccn5)c4O3)cc2)c1 ZINC000012333977 524809898 /nfs/dbraw/zinc/80/98/98/524809898.db2.gz JIGYYPQOGIDXFS-JOCHJYFZSA-N 0 0 495.535 4.125 50 0 JIAARN COc1ccc(OC)c(CCN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021810622 524818824 /nfs/dbraw/zinc/81/88/24/524818824.db2.gz OBTDSSLSEWNYSI-HHHXNRCGSA-N 0 0 479.577 4.158 50 0 JIAARN COc1ccc(OC)c(CNS(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)sc2C)c1 ZINC000046141546 524836819 /nfs/dbraw/zinc/83/68/19/524836819.db2.gz YVCFQFIPCWWPBQ-UHFFFAOYSA-N 0 0 489.550 4.408 50 0 JIAARN COc1ccc(OC)c(CNS(=O)(=O)c2ccccc2-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000033307109 524839075 /nfs/dbraw/zinc/83/90/75/524839075.db2.gz ZCKNHOOGULLOAD-UHFFFAOYSA-N 0 0 465.531 4.208 50 0 JIAARN COc1ccc(OC)c(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000016192677 524849330 /nfs/dbraw/zinc/84/93/30/524849330.db2.gz YVNFRWMOMFFHCB-UHFFFAOYSA-N 0 0 466.987 4.319 50 0 JIAARN Cc1cccc([C@@H]2c3cc(O[C@H](C)C(=O)N4CCOCC4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000037282005 524856653 /nfs/dbraw/zinc/85/66/53/524856653.db2.gz PUNZOYXOILQQSB-JIPXPUAJSA-N 0 0 476.617 4.285 50 0 JIAARN C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)C[C@H](c2ccccc2)O1 ZINC000048356252 524865352 /nfs/dbraw/zinc/86/53/52/524865352.db2.gz CFLFOJAWFRFHCS-NTKDMRAZSA-N 0 0 450.560 4.114 50 0 JIAARN COc1ccc(OC)c(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)c1 ZINC000008661479 524866930 /nfs/dbraw/zinc/86/69/30/524866930.db2.gz DKNQOCNVGGDLIF-IZZNHLLZSA-N 0 0 488.540 4.197 50 0 JIAARN Cc1cc(Cl)ccc1NC(=O)CCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000033063013 524892261 /nfs/dbraw/zinc/89/22/61/524892261.db2.gz LIJBIIJCMKTLAK-UHFFFAOYSA-N 0 0 454.335 4.230 50 0 JIAARN C[C@H](NC(=O)C(C)(C)C)C(=O)O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000022524963 524892909 /nfs/dbraw/zinc/89/29/09/524892909.db2.gz QRNMCKSZMHLTTP-KBXCAEBGSA-N 0 0 450.457 4.479 50 0 JIAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C(=O)NCc2ccccc2)c1 ZINC000036045311 524895820 /nfs/dbraw/zinc/89/58/20/524895820.db2.gz DPIRSNMNEMSNLB-DQEYMECFSA-N 0 0 458.558 4.184 50 0 JIAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)NCc2ccccc2)c1 ZINC000036045309 524896448 /nfs/dbraw/zinc/89/64/48/524896448.db2.gz DPIRSNMNEMSNLB-LOSJGSFVSA-N 0 0 458.558 4.184 50 0 JIAARN COc1ccc(OC)c2nc(N(C)C)c(CN(C[C@@H]3CCCO3)C(=O)c3cccs3)cc12 ZINC000020255212 524924167 /nfs/dbraw/zinc/92/41/67/524924167.db2.gz FUGZJVSQYZOMIC-KRWDZBQOSA-N 0 0 455.580 4.201 50 0 JIAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(=O)Nc2ccc(Cl)cc2)N2N=Cc4ccccc4[C@H]32)c(C)c1 ZINC000009122238 524929909 /nfs/dbraw/zinc/92/99/09/524929909.db2.gz GRWNEPCWOQKFMU-ZFFYZDHPSA-N 0 0 498.970 4.474 50 0 JIAARN Cc1ccc(N2CCN(C(=O)Cn3c(=O)nc(-c4ccccc4)c4cc(Cl)ccc43)CC2)cc1 ZINC000033048981 524959876 /nfs/dbraw/zinc/95/98/76/524959876.db2.gz XZPQFIRXQFEPJP-UHFFFAOYSA-N 0 0 472.976 4.374 50 0 JIAARN Cc1cccc2[nH]c(CCNC(=O)c3cn(C4CCCCC4)cc(C(=O)NC(C)(C)C)c3=O)nc21 ZINC000012246320 524975920 /nfs/dbraw/zinc/97/59/20/524975920.db2.gz VVOQIURPPUGTMV-UHFFFAOYSA-N 0 0 477.609 4.039 50 0 JIAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4)no3)CC2=O)cc1C ZINC000085642078 524985611 /nfs/dbraw/zinc/98/56/11/524985611.db2.gz GRXXRRNIIOIIMT-OAQYLSRUSA-N 0 0 494.617 4.295 50 0 JIAARN COc1ccc(Oc2cc3c(cc2S(=O)(=O)N(C)C)C(=O)Nc2cc(C)ccc2O3)cc1 ZINC000064986689 524991600 /nfs/dbraw/zinc/99/16/00/524991600.db2.gz SPUCODFMNJSURS-UHFFFAOYSA-N 0 0 454.504 4.404 50 0 biogenic JIAARN COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000033141768 525008197 /nfs/dbraw/zinc/00/81/97/525008197.db2.gz DWLBSEHFKVTIHJ-UHFFFAOYSA-N 0 0 450.969 4.165 50 0 JIAARN Cc1ccccc1-n1c(S[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccncc1 ZINC000016762306 525026996 /nfs/dbraw/zinc/02/69/96/525026996.db2.gz NDVSGRWETJKGON-NRFANRHFSA-N 0 0 484.629 4.467 50 0 JIAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)cc1Cl ZINC000065078253 525037603 /nfs/dbraw/zinc/03/76/03/525037603.db2.gz PUUGCLGJHSWPCX-CYBMUJFWSA-N 0 0 452.985 4.131 50 0 JIAARN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3Cl)Oc3cc(C)ccc32)cc1 ZINC000064986365 525049508 /nfs/dbraw/zinc/04/95/08/525049508.db2.gz SKVOOWCNEHPYRJ-JOCHJYFZSA-N 0 0 472.950 4.252 50 0 JIAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(I)cc3)C2=O)cc1 ZINC000009259053 525049900 /nfs/dbraw/zinc/04/99/00/525049900.db2.gz CQJWRKAULYVVNF-MHWRWJLKSA-N 0 0 478.311 4.275 50 0 JIAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000064972341 525050180 /nfs/dbraw/zinc/05/01/80/525050180.db2.gz VZRLPQABKCHARM-XMMPIXPASA-N 0 0 450.560 4.066 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Br)cc3Cl)c2)C[C@@H](C)O1 ZINC000009396732 525053054 /nfs/dbraw/zinc/05/30/54/525053054.db2.gz MLXYTGNKLMFSAW-CHWSQXEVSA-N 0 0 487.803 4.153 50 0 JIAARN Cc1ccccc1C(=O)N[C@H](C(=O)NCC(C)C)C1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000036214412 525060531 /nfs/dbraw/zinc/06/05/31/525060531.db2.gz FMTHACXAKKRSTJ-QHCPKHFHSA-N 0 0 484.641 4.114 50 0 JIAARN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)C(C)C)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036210816 525062369 /nfs/dbraw/zinc/06/23/69/525062369.db2.gz ZCMMCVDTBMXNEY-OFVILXPXSA-N 0 0 463.622 4.115 50 0 JIAARN Cc1ccccc1C(=O)Nc1nnc(SCC(=O)NCCOc2ccc(Cl)cc2)s1 ZINC000002999783 525065690 /nfs/dbraw/zinc/06/56/90/525065690.db2.gz TUYXPIRYBZHIFK-UHFFFAOYSA-N 0 0 462.984 4.040 50 0 JIAARN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc1Cl ZINC000065003640 525066931 /nfs/dbraw/zinc/06/69/31/525066931.db2.gz AQEAUXYXKZONTF-MRXNPFEDSA-N 0 0 470.978 4.419 50 0 JIAARN Cc1ccc(NC(=O)CSc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)cc1C ZINC000065025905 525076849 /nfs/dbraw/zinc/07/68/49/525076849.db2.gz ZIDJIQKCZIWOKS-UHFFFAOYSA-N 0 0 451.571 4.290 50 0 JIAARN Cc1ccc(NC(=O)CSc2nc3c4cccnc4sc3c(=O)n2C[C@H]2CCCO2)cc1 ZINC000045922314 525079002 /nfs/dbraw/zinc/07/90/02/525079002.db2.gz IHFLPWOLKUUIKS-MRXNPFEDSA-N 0 0 466.588 4.224 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Br)cc1OC ZINC000012507943 525081270 /nfs/dbraw/zinc/08/12/70/525081270.db2.gz HGLIAMPGTPHBFB-UHFFFAOYSA-N 0 0 451.136 4.030 50 0 JIAARN Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)n1 ZINC000033078162 525084492 /nfs/dbraw/zinc/08/44/92/525084492.db2.gz LYITTXBXYPSGCM-UHFFFAOYSA-N 0 0 468.355 4.380 50 0 JIAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2F)C[C@H](O)COCc2ccco2)C1 ZINC000036145941 525086636 /nfs/dbraw/zinc/08/66/36/525086636.db2.gz YMFAHAUKFNJRMO-JTHBVZDNSA-N 0 0 470.516 4.439 50 0 JIAARN Cc1ccc(NC(=O)Cn2c(=S)[nH]nc2-c2cccs2)cc1I ZINC000022744563 525099522 /nfs/dbraw/zinc/09/95/22/525099522.db2.gz SGQNJMKREJHMCQ-UHFFFAOYSA-N 0 0 456.334 4.221 50 0 JIAARN Cc1ccc(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)NCc4ccco4)cc3)n2)cc1 ZINC000033128796 525110734 /nfs/dbraw/zinc/11/07/34/525110734.db2.gz WKOFHJSQWHVBHG-UHFFFAOYSA-N 0 0 459.506 4.274 50 0 JIAARN Cc1ccc(NC(=O)N2CCN(CCn3c4ncccc4nc3C(F)(F)F)CC2)c(Cl)c1 ZINC000033281933 525132558 /nfs/dbraw/zinc/13/25/58/525132558.db2.gz WYDPYLPENZDMLG-UHFFFAOYSA-N 0 0 466.895 4.262 50 0 JIAARN C[C@@H]1COC[C@H](C)N1c1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2cccs2)n1 ZINC000016609697 525148781 /nfs/dbraw/zinc/14/87/81/525148781.db2.gz BRNXVBOZYQMZJN-OKILXGFUSA-N 0 0 453.959 4.115 50 0 JIAARN Cc1ccccc1CNC(=O)C1CCN(c2nc3ccsc3c(=O)n2-c2ccc(F)cc2)CC1 ZINC000033302345 525149699 /nfs/dbraw/zinc/14/96/99/525149699.db2.gz AMECNJQMTYQIFW-UHFFFAOYSA-N 0 0 476.577 4.428 50 0 JIAARN Cc1cc(NC(=O)COc2ccccc2C)n(-c2ncnc3c2cnn3-c2ccc(C)cc2C)n1 ZINC000017026087 525152190 /nfs/dbraw/zinc/15/21/90/525152190.db2.gz SJDPYVGUZVIJHI-UHFFFAOYSA-N 0 0 467.533 4.252 50 0 JIAARN Cc1ccccc1CNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000033053221 525165675 /nfs/dbraw/zinc/16/56/75/525165675.db2.gz MFHURWNFPOXCPC-UHFFFAOYSA-N 0 0 455.624 4.090 50 0 JIAARN CS(=O)(=O)N1CCCc2cc(C(=O)N3CCCC[C@H]3c3nc4ccccc4s3)ccc21 ZINC000024385554 525173008 /nfs/dbraw/zinc/17/30/08/525173008.db2.gz KDFUCEWPNSQVSX-FQEVSTJZSA-N 0 0 455.605 4.376 50 0 JIAARN C[C@H](NC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)c1ccc(Cl)c(Cl)c1 ZINC000014233291 525173846 /nfs/dbraw/zinc/17/38/46/525173846.db2.gz FUBDUWKXKSAHDE-ZFWWWQNUSA-N 0 0 466.390 4.032 50 0 JIAARN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc32)c(C)c1 ZINC000020377670 525197275 /nfs/dbraw/zinc/19/72/75/525197275.db2.gz HFFUQWPZDYQBKZ-HSZRJFAPSA-N 0 0 459.571 4.380 50 0 JIAARN C[C@]1(C(=O)c2ccc(Cl)cc2)[C@@H]2c3c(ccc4ccccc43)OC(=O)[C@@]21C(=O)N1CCOCC1 ZINC000012384136 525235465 /nfs/dbraw/zinc/23/54/65/525235465.db2.gz ICOHPFWDUVZEQJ-FDJWOJMMSA-N 0 0 475.928 4.244 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nncn2C)cc1 ZINC000004111512 525239411 /nfs/dbraw/zinc/23/94/11/525239411.db2.gz DJXSZPYCWABDJM-IBGZPJMESA-N 0 0 486.395 4.056 50 0 JIAARN Cc1ccccc1NC(=O)Cn1c(=O)cc(C(=O)N2CCc3ccccc3C2)c2ccccc21 ZINC000020418831 525244222 /nfs/dbraw/zinc/24/42/22/525244222.db2.gz OCODCAXSCXUEAU-UHFFFAOYSA-N 0 0 451.526 4.147 50 0 JIAARN Cc1ccccc1NC(=O)N1CCC(c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 ZINC000033273130 525247576 /nfs/dbraw/zinc/24/75/76/525247576.db2.gz ALXWDWVBKDSAFC-UHFFFAOYSA-N 0 0 465.535 4.239 50 0 JIAARN COc1ccc([C@@H]2CN3C(=O)CN(Cc4ccccc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008788811 525256652 /nfs/dbraw/zinc/25/66/52/525256652.db2.gz TXFFZIXQYUGDMP-IADCTJSHSA-N 0 0 465.553 4.408 50 0 biogenic JIAARN Cc1ccc(NC(=O)c2nnc(SCC(=O)NCc3cccc(Br)c3)s2)cc1 ZINC000033011820 525261597 /nfs/dbraw/zinc/26/15/97/525261597.db2.gz FCMCIVSELRGNMD-UHFFFAOYSA-N 0 0 477.409 4.270 50 0 JIAARN Cc1cc(NC(=O)c2oc3ccccc3c2COc2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000032736045 525261915 /nfs/dbraw/zinc/26/19/15/525261915.db2.gz QAFSTXFYMXONPG-KRWDZBQOSA-N 0 0 465.531 4.129 50 0 JIAARN COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3nc(N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)nc3N2)cc1 ZINC000013758573 525262361 /nfs/dbraw/zinc/26/23/61/525262361.db2.gz PLTMZYFNWVYZGZ-LRSLUSHPSA-N 0 0 473.508 4.028 50 0 JIAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3C(=O)COc3ccc(Cl)cc3)s2)cc1 ZINC000064930113 525262734 /nfs/dbraw/zinc/26/27/34/525262734.db2.gz DVLUIOHRVYOZPS-GOSISDBHSA-N 0 0 456.955 4.495 50 0 JIAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC000014830557 525272183 /nfs/dbraw/zinc/27/21/83/525272183.db2.gz MLURKVQLUXLBBA-UKILVPOCSA-N 0 0 457.530 4.226 50 0 JIAARN C[C@@H](NC(=O)[C@H](C)N1C(=O)COc2ccc(C(=O)COc3ccc(F)c(F)c3)cc21)c1ccccc1 ZINC000037511457 525282178 /nfs/dbraw/zinc/28/21/78/525282178.db2.gz LWIUCUGOTIXVLJ-SJORKVTESA-N 0 0 494.494 4.218 50 0 JIAARN COc1ccc([C@H](C)N(C)Cc2nc3c(C)cccc3c(N3CCCN(C(C)=O)CC3)n2)cc1 ZINC000012244817 525300449 /nfs/dbraw/zinc/30/04/49/525300449.db2.gz AMOYLEUUQMOLFU-FQEVSTJZSA-N 0 0 461.610 4.198 50 0 JIAARN COc1ccc([C@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(F)cc2)cc1OC ZINC000067319782 525307789 /nfs/dbraw/zinc/30/77/89/525307789.db2.gz YABBEOOFKXPYNU-HNNXBMFYSA-N 0 0 496.564 4.148 50 0 JIAARN Cc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)c1ccco1)C1CC1 ZINC000036122000 525310037 /nfs/dbraw/zinc/31/00/37/525310037.db2.gz VJPVGKPOXQYCJE-HXUWFJFHSA-N 0 0 450.560 4.459 50 0 JIAARN Cc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C[C@H]1CCCO1)C(=O)C(C)C ZINC000036122075 525314455 /nfs/dbraw/zinc/31/44/55/525314455.db2.gz HZSLJZQXUIOAIU-IRLDBZIGSA-N 0 0 470.635 4.225 50 0 JIAARN Cc1ccccc1S(=O)(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000046123902 525329011 /nfs/dbraw/zinc/32/90/11/525329011.db2.gz BARSTWAQOFYOPH-OAHLLOKOSA-N 0 0 477.011 4.321 50 0 JIAARN Cc1ccc(Nc2nn(CC(=O)Nc3cccc(F)c3)c(N)c2S(=O)(=O)c2ccccc2)cc1 ZINC000012415472 525330665 /nfs/dbraw/zinc/33/06/65/525330665.db2.gz IWLLEOMQVYYKBS-UHFFFAOYSA-N 0 0 479.537 4.128 50 0 JIAARN C[C@]12C(=O)N(c3ccccc3C(=O)NCc3cccs3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000008918373 525342356 /nfs/dbraw/zinc/34/23/56/525342356.db2.gz BIYHONNQKYNJSA-SANMLTNESA-N 0 0 470.554 4.400 50 0 biogenic JIAARN COc1ccc([C@H]2CC(=O)N(CC(=O)NCc3ccc4c(c3)OCO4)c3ccccc3S2)cc1 ZINC000016953509 525400704 /nfs/dbraw/zinc/40/07/04/525400704.db2.gz NCYQVRRGEXEPPU-XMMPIXPASA-N 0 0 476.554 4.310 50 0 JIAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(C3CC3)n2C)cc1OC ZINC000009478577 525407102 /nfs/dbraw/zinc/40/71/02/525407102.db2.gz IDTORICRPSHQGP-QGZVFWFLSA-N 0 0 483.619 4.241 50 0 JIAARN COc1ccc([C@H]2OC(=O)N(CCc3ccc(OC)c(OC)c3)[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000012420535 525432104 /nfs/dbraw/zinc/43/21/04/525432104.db2.gz XVVHYBQRCLKVCZ-VPUSJEBWSA-N 0 0 479.529 4.302 50 0 JIAARN COc1ccc([C@H]2[C@H](C(=O)Nc3cccc(NC(C)=O)c3)c3ccccc3C(=O)N2C)cc1OC ZINC000040286911 525435726 /nfs/dbraw/zinc/43/57/26/525435726.db2.gz LMAWVBGAUARXGI-RPBOFIJWSA-N 0 0 473.529 4.211 50 0 JIAARN COc1ccc([C@H]2[C@H](C(=O)NC3CCCCC3)CCC(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000004759584 525436752 /nfs/dbraw/zinc/43/67/52/525436752.db2.gz NOHQAQFXEHGHRJ-BWKNWUBXSA-N 0 0 450.535 4.357 50 0 JIAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(F)cc4)CC(=O)N32)cc1 ZINC000002148655 525437709 /nfs/dbraw/zinc/43/77/09/525437709.db2.gz GUESBUKSRGKTOU-IGKIAQTJSA-N 0 0 469.516 4.201 50 0 biogenic JIAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)NC(C)C)cc1 ZINC000036122926 525441413 /nfs/dbraw/zinc/44/14/13/525441413.db2.gz UEQGGXNFUIZCFL-QFIPXVFZSA-N 0 0 455.624 4.391 50 0 JIAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)[C@H](OC(C)=O)c2ccccc2)cc1 ZINC000023457137 525442258 /nfs/dbraw/zinc/44/22/58/525442258.db2.gz SUTGWZOLKPUPDL-RRPNLBNLSA-N 0 0 475.541 4.491 50 0 JIAARN Cc1ccc(OCc2nc(CN(CCN3CCOCC3)C(=O)Cc3ccccc3)cs2)cc1C ZINC000036106848 525447366 /nfs/dbraw/zinc/44/73/66/525447366.db2.gz VVNXACWIFREWSZ-UHFFFAOYSA-N 0 0 479.646 4.242 50 0 JIAARN Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4cc(C(F)(F)F)ccc4Cl)nc23)cc1 ZINC000033308945 525481732 /nfs/dbraw/zinc/48/17/32/525481732.db2.gz SFRZOFAAFKKMCJ-UHFFFAOYSA-N 0 0 477.830 4.303 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)cc2)cc1C ZINC000014700226 525498021 /nfs/dbraw/zinc/49/80/21/525498021.db2.gz ATACMKBHVPFNEM-YOFSQIOKSA-N 0 0 455.576 4.429 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCSCc3ccccc3)cc2)cc1 ZINC000016309335 525498689 /nfs/dbraw/zinc/49/86/89/525498689.db2.gz HXNZUPYEEXBAKG-UHFFFAOYSA-N 0 0 454.617 4.483 50 0 JIAARN COc1ccc2c(CC(=O)OCC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)coc2c1 ZINC000009635434 525500715 /nfs/dbraw/zinc/50/07/15/525500715.db2.gz OWMWRIGAHPVTJD-UHFFFAOYSA-N 0 0 492.450 4.021 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCC3(c4ccccc4)CC3)cc2)cc1 ZINC000014120281 525501184 /nfs/dbraw/zinc/50/11/84/525501184.db2.gz XBCHJBIPUKCSMM-UHFFFAOYSA-N 0 0 464.587 4.047 50 0 JIAARN Cc1ccc(S(=O)(=O)N(Cc2ccc(Sc3ccccc3)o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000041155242 525512325 /nfs/dbraw/zinc/51/23/25/525512325.db2.gz SGOHJZVIGSAQDS-SFHVURJKSA-N 0 0 477.629 4.117 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)c(C)c1 ZINC000033273298 525524201 /nfs/dbraw/zinc/52/42/01/525524201.db2.gz XRSVLVQTEJEANT-UHFFFAOYSA-N 0 0 474.583 4.115 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000040155977 525526932 /nfs/dbraw/zinc/52/69/32/525526932.db2.gz KIXKZOQXNHFAPN-FQEVSTJZSA-N 0 0 492.645 4.163 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1C ZINC000064930936 525533111 /nfs/dbraw/zinc/53/31/11/525533111.db2.gz TWELNDCKRAMJSY-GOSISDBHSA-N 0 0 460.556 4.072 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)c(C)c1 ZINC000046124405 525535127 /nfs/dbraw/zinc/53/51/27/525535127.db2.gz RGBKSPQKGGUZIK-INIZCTEOSA-N 0 0 474.583 4.115 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(Cl)cc3)Oc3ccc(C)cc32)cc1 ZINC000064985864 525554831 /nfs/dbraw/zinc/55/48/31/525554831.db2.gz ONLXRGOKCQUOSU-QHCPKHFHSA-N 0 0 470.978 4.230 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccccc3F)Oc3ccc(Cl)cc32)cc1 ZINC000064986159 525555615 /nfs/dbraw/zinc/55/56/15/525555615.db2.gz QJLURRDXQKZZHT-NRFANRHFSA-N 0 0 460.914 4.383 50 0 JIAARN Cc1c(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cnn1-c1cccc(C)c1 ZINC000040150288 525578565 /nfs/dbraw/zinc/57/85/65/525578565.db2.gz BSHFMQVTUQFUMM-KRWDZBQOSA-N 0 0 482.382 4.138 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)C(C)C)cc1 ZINC000040081732 525587726 /nfs/dbraw/zinc/58/77/26/525587726.db2.gz RTPZGDMSJPBVNR-DEOSSOPVSA-N 0 0 470.635 4.036 50 0 JIAARN Cc1cc2c(cc1-c1nnc(SCC(=O)Nc3ccc(Br)cc3)n1C)OCCCO2 ZINC000064987304 525592022 /nfs/dbraw/zinc/59/20/22/525592022.db2.gz AANFUCYIVWAARH-UHFFFAOYSA-N 0 0 489.395 4.445 50 0 JIAARN COc1ccc2c(c1)c(NC(C)=O)c1n2C[C@](C)(C(=O)NC2CCCC2)N(Cc2cccs2)C1=O ZINC000021865923 525601350 /nfs/dbraw/zinc/60/13/50/525601350.db2.gz PXQQUXABIHJQMR-AREMUKBSSA-N 0 0 494.617 4.143 50 0 JIAARN Cc1c(C(=O)NCCCN2CCCC2=O)sc2ncnc(N[C@@H]3CCCc4ccccc43)c12 ZINC000012454292 525610135 /nfs/dbraw/zinc/61/01/35/525610135.db2.gz WLOVTRFYZXVITR-LJQANCHMSA-N 0 0 463.607 4.232 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@H](C(=O)NCCC(C)C)C3)c2)cc1C ZINC000021710054 525613373 /nfs/dbraw/zinc/61/33/73/525613373.db2.gz IIZJGBALVRYCNR-QFIPXVFZSA-N 0 0 485.650 4.119 50 0 JIAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCC3(CC2)OCCO3)cc1 ZINC000020381382 525631852 /nfs/dbraw/zinc/63/18/52/525631852.db2.gz REXNNLPGKIOZEH-UHFFFAOYSA-N 0 0 458.967 4.373 50 0 JIAARN Cc1c(C(=O)N[C@@H](C)c2ccccc2)sc2ncnc(N3CCN(c4ccccn4)CC3)c12 ZINC000002911763 525634332 /nfs/dbraw/zinc/63/43/32/525634332.db2.gz USTAVKGVLXZLBZ-SFHVURJKSA-N 0 0 458.591 4.212 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(c1ccc(OC)cc1OC)C3=O ZINC000021857352 525643917 /nfs/dbraw/zinc/64/39/17/525643917.db2.gz CWZOQQHBQPNMQZ-HHHXNRCGSA-N 0 0 477.561 4.145 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(c1ccc2c(c1)OCCO2)C3=O ZINC000021856116 525644120 /nfs/dbraw/zinc/64/41/20/525644120.db2.gz JLXBSCWFQVJLLV-MUUNZHRXSA-N 0 0 489.572 4.289 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(Cc1ccccc1OC)C3=O ZINC000021857495 525644867 /nfs/dbraw/zinc/64/48/67/525644867.db2.gz LWWAMDLVBXNUIN-HHHXNRCGSA-N 0 0 461.562 4.132 50 0 JIAARN Cc1c(C(=O)Nc2ccc(C)cc2Br)nnn1CC(=O)Nc1cccc(C)c1C ZINC000071327180 525655407 /nfs/dbraw/zinc/65/54/07/525655407.db2.gz STGOKQCDVOSZGU-UHFFFAOYSA-N 0 0 456.344 4.165 50 0 JIAARN COc1ccc2nc(N(Cc3ccccc3)C(=O)Cc3nn(C)c(=O)c4ccccc34)sc2c1 ZINC000023299550 525668815 /nfs/dbraw/zinc/66/88/15/525668815.db2.gz IXJITNLIVYMTSX-UHFFFAOYSA-N 0 0 470.554 4.328 50 0 JIAARN Cc1cc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236188 525678862 /nfs/dbraw/zinc/67/88/62/525678862.db2.gz CSSAZZBCQZTHJQ-UHFFFAOYSA-N 0 0 462.453 4.424 50 0 JIAARN Cc1cc2oc(=O)cc(COC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)c2cc1C ZINC000025650500 525690505 /nfs/dbraw/zinc/69/05/05/525690505.db2.gz CBOHBGAQDFNLQP-INIZCTEOSA-N 0 0 481.979 4.021 50 0 JIAARN Cc1c(CN(C)C(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)cnn1C ZINC000002755798 525701934 /nfs/dbraw/zinc/70/19/34/525701934.db2.gz BSIUFDZZYXKSRS-UHFFFAOYSA-N 0 0 462.863 4.383 50 0 JIAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)c2)cc1 ZINC000064999926 525718509 /nfs/dbraw/zinc/71/85/09/525718509.db2.gz ALPICXNYXWQZGO-GOSISDBHSA-N 0 0 470.616 4.235 50 0 JIAARN COc1cccc(-c2nc(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)cs2)c1OC ZINC000029508790 525719906 /nfs/dbraw/zinc/71/99/06/525719906.db2.gz QABYMKYGOWKAOR-UHFFFAOYSA-N 0 0 457.983 4.439 50 0 JIAARN Cc1c(CNC(=O)c2cnn3c2N[C@H](c2ccc(Br)cc2)C[C@H]3C(F)(F)F)cnn1C ZINC000012468356 525722437 /nfs/dbraw/zinc/72/24/37/525722437.db2.gz FYPSNNHDWCJWJD-IRXDYDNUSA-N 0 0 497.319 4.278 50 0 JIAARN Cc1ccc(-c2cc(C(=O)NCc3cc4ccccc4[nH]3)cc(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000014740489 525725201 /nfs/dbraw/zinc/72/52/01/525725201.db2.gz IDPZSPZGLPYQRQ-UHFFFAOYSA-N 0 0 495.626 4.156 50 0 JIAARN COc1cccc(-c2nn(C)cc2-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2C)c1 ZINC000065099147 525732142 /nfs/dbraw/zinc/73/21/42/525732142.db2.gz RFFWASLQGCHDEL-UHFFFAOYSA-N 0 0 466.542 4.070 50 0 JIAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)N5CCCc6ccccc65)n4ccn3n2)cc1 ZINC000045971373 525739768 /nfs/dbraw/zinc/73/97/68/525739768.db2.gz JDHXSQFNNRAYTK-UHFFFAOYSA-N 0 0 454.559 4.424 50 0 JIAARN COc1cccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCC(=O)NCc2ccc(F)cc2)c1 ZINC000002720741 525741278 /nfs/dbraw/zinc/74/12/78/525741278.db2.gz RYAIAYVGYLJZLO-UHFFFAOYSA-N 0 0 488.544 4.423 50 0 JIAARN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)N4CCN(c5ccccc5F)CC4)C3)nn2)cc1C ZINC000048990577 525751809 /nfs/dbraw/zinc/75/18/09/525751809.db2.gz OZMLBAMGGFXIJR-QHCPKHFHSA-N 0 0 473.596 4.465 50 0 JIAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)C(C)C)[C@H](C)c4ccccc4)CC3)nn2)cc1 ZINC000036069604 525751897 /nfs/dbraw/zinc/75/18/97/525751897.db2.gz LROKVOKQNJJFNP-HSZRJFAPSA-N 0 0 485.632 4.346 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 ZINC000008592552 525763961 /nfs/dbraw/zinc/76/39/61/525763961.db2.gz TWMRLMOSKKCCFD-CQSZACIVSA-N 0 0 460.983 4.139 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000017823338 525766827 /nfs/dbraw/zinc/76/68/27/525766827.db2.gz IQANBQZPCZJZSR-IYBDPMFKSA-N 0 0 478.998 4.111 50 0 JIAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)cc(C(C)(C)C)cc3C)CC2)cc1 ZINC000014135915 525768356 /nfs/dbraw/zinc/76/83/56/525768356.db2.gz WLXZKWDFUDEVKO-UHFFFAOYSA-N 0 0 494.661 4.242 50 0 JIAARN Cc1ccc(-c2cnc(CCC(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)o2)cc1C ZINC000036452068 525768818 /nfs/dbraw/zinc/76/88/18/525768818.db2.gz NIXQBDNEIQAJKQ-UHFFFAOYSA-N 0 0 474.605 4.291 50 0 JIAARN Cc1ccnn1CCC(=O)NCc1nc(-c2ccccc2NC(=O)CCOc2ccccc2)oc1C ZINC000014991656 525775704 /nfs/dbraw/zinc/77/57/04/525775704.db2.gz MZPWVLXFAOYIRZ-UHFFFAOYSA-N 0 0 487.560 4.269 50 0 JIAARN Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)n3N)n2)cc1 ZINC000002143713 525782137 /nfs/dbraw/zinc/78/21/37/525782137.db2.gz RHZDVRGANSMKMV-UHFFFAOYSA-N 0 0 456.984 4.475 50 0 JIAARN Cc1ccc(-c2csc3[nH]c(CSc4nnnn4Cc4ccccc4)nc(=O)c23)s1 ZINC000016448369 525788182 /nfs/dbraw/zinc/78/81/82/525788182.db2.gz WGNJWHYCCGNKEO-UHFFFAOYSA-N 0 0 452.590 4.349 50 0 JIAARN Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NCc2cccs2)CCN(Cc2ccccc2)C3)cc1 ZINC000035456453 525819863 /nfs/dbraw/zinc/81/98/63/525819863.db2.gz ZALPRSWYFOJJAW-UHFFFAOYSA-N 0 0 484.625 4.155 50 0 JIAARN Cc1ccc(-c2nc3n(c2CNC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)CCS3)cc1 ZINC000064977919 525826857 /nfs/dbraw/zinc/82/68/57/525826857.db2.gz VOMCDPSCTHOGOU-UHFFFAOYSA-N 0 0 496.658 4.069 50 0 JIAARN Cc1c(NC(=O)C(=O)c2cn(Cc3ccccc3F)c3ccccc23)c(=O)n(-c2ccccc2)n1C ZINC000012372094 525829029 /nfs/dbraw/zinc/82/90/29/525829029.db2.gz JHNBSXAPHCZIHW-UHFFFAOYSA-N 0 0 482.515 4.448 50 0 JIAARN Cc1c(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)c(=O)n(-c2ccccc2)n1C ZINC000021885695 525859029 /nfs/dbraw/zinc/85/90/29/525859029.db2.gz LKAWEOLCSCBAPS-UHFFFAOYSA-N 0 0 468.492 4.124 50 0 JIAARN Cc1c(NC(=O)c2c(NC(=O)c3cccc(COc4ccc5c(c4)CCC5)c3)cnn2C)cnn1C ZINC000002800668 525859223 /nfs/dbraw/zinc/85/92/23/525859223.db2.gz HFKUZJZMTMOCNM-UHFFFAOYSA-N 0 0 484.560 4.034 50 0 JIAARN Cc1ccc(-c2noc(-c3cn(CC(=O)NCc4cccs4)c4nc(C)ccc4c3=O)n2)cc1 ZINC000021655386 525871365 /nfs/dbraw/zinc/87/13/65/525871365.db2.gz PODWCASIYSKOSQ-UHFFFAOYSA-N 0 0 471.542 4.108 50 0 JIAARN Cc1ccc(-c2noc(CCC(=O)NCc3ccc4c(c3)CCN4C(=O)c3ccccc3)n2)cc1 ZINC000064978175 525874905 /nfs/dbraw/zinc/87/49/05/525874905.db2.gz ICSMCYJADHWLFL-UHFFFAOYSA-N 0 0 466.541 4.497 50 0 JIAARN Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc(N(C)C)cc3)nc3ccccc3c2=O)nc1 ZINC000030630450 525902882 /nfs/dbraw/zinc/90/28/82/525902882.db2.gz TZINLRZOJPRCGV-QGZVFWFLSA-N 0 0 459.575 4.274 50 0 JIAARN COc1cccc(CCNc2ncnc3sc(C(=O)N(C)[C@@H](C)c4ccon4)c(C)c32)c1 ZINC000014977609 525903786 /nfs/dbraw/zinc/90/37/86/525903786.db2.gz IKZLSPYHVQEAPB-HNNXBMFYSA-N 0 0 451.552 4.484 50 0 JIAARN Cc1ccc(-n2cc3c(n2)ncnc3N2CCC[C@@H](C(=O)NCc3ccccc3Cl)C2)cc1 ZINC000033273769 525910965 /nfs/dbraw/zinc/91/09/65/525910965.db2.gz IAVRHPKYONQIOD-LJQANCHMSA-N 0 0 460.969 4.310 50 0 JIAARN COc1cccc(CN2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021852094 525927808 /nfs/dbraw/zinc/92/78/08/525927808.db2.gz YOJGUBUOQUNCQU-AREMUKBSSA-N 0 0 452.599 4.053 50 0 JIAARN COc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000021859484 525928052 /nfs/dbraw/zinc/92/80/52/525928052.db2.gz MKESQZKPIHHVPP-NDEPHWFRSA-N 0 0 453.542 4.381 50 0 JIAARN COc1cccc(CN2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021852089 525928727 /nfs/dbraw/zinc/92/87/27/525928727.db2.gz YOJGUBUOQUNCQU-SANMLTNESA-N 0 0 452.599 4.053 50 0 JIAARN COc1cccc(CN2C(=O)c3cc(C4CC4)nn3C[C@@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021852498 525928737 /nfs/dbraw/zinc/92/87/37/525928737.db2.gz WEIPIEYXIAHURL-SANMLTNESA-N 0 0 450.583 4.023 50 0 JIAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)NCc3ccc(OC(C)C)cc3)ccc2=O)cc1C ZINC000033128142 525930637 /nfs/dbraw/zinc/93/06/37/525930637.db2.gz CBSBDYSXRSQPNB-LJQANCHMSA-N 0 0 451.592 4.434 50 0 JIAARN COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000021861086 525933576 /nfs/dbraw/zinc/93/35/76/525933576.db2.gz XKVRYPUYMSLVKR-INXRYCJYSA-N 0 0 460.578 4.155 50 0 JIAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NCc3cccnc3)c2oc1C(=O)N1CCCCCC1 ZINC000065010891 525943181 /nfs/dbraw/zinc/94/31/81/525943181.db2.gz SUBHIYFJUAGGGJ-UHFFFAOYSA-N 0 0 455.580 4.248 50 0 JIAARN Cc1c2cc(C)ccc2oc1-c1noc(C(=O)NCCCN2CCN(c3ccccc3F)CC2)n1 ZINC000065010235 525952390 /nfs/dbraw/zinc/95/23/90/525952390.db2.gz QNXZLBPVJSKUJJ-UHFFFAOYSA-N 0 0 477.540 4.181 50 0 JIAARN COc1cccc(CN2CCc3nc(SCC(=O)Nc4cc(Cl)ccc4C)[nH]c(=O)c3C2)c1 ZINC000033331817 525954038 /nfs/dbraw/zinc/95/40/38/525954038.db2.gz WSRZHEMTELGISJ-UHFFFAOYSA-N 0 0 485.009 4.442 50 0 JIAARN COc1cccc(CNC(=O)C2CCN(c3nccn4nc(-c5ccc(F)cc5)cc34)CC2)c1 ZINC000033266521 525966001 /nfs/dbraw/zinc/96/60/01/525966001.db2.gz MHMMQUQTWKLMSO-UHFFFAOYSA-N 0 0 459.525 4.077 50 0 JIAARN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000023297570 525972434 /nfs/dbraw/zinc/97/24/34/525972434.db2.gz OXEWAOSMZDDXIR-OAHLLOKOSA-N 0 0 486.487 4.020 50 0 JIAARN COc1cccc(CNC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000064930747 525983322 /nfs/dbraw/zinc/98/33/22/525983322.db2.gz UBRPDKZUYKIBBH-SFHVURJKSA-N 0 0 471.970 4.499 50 0 JIAARN Cc1c2cnn(CC(=O)Nc3ccc(F)cc3F)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000020417639 525995066 /nfs/dbraw/zinc/99/50/66/525995066.db2.gz IUCRJAGANLZPEE-UHFFFAOYSA-N 0 0 456.880 4.433 50 0 JIAARN C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000003357041 526003597 /nfs/dbraw/zinc/00/35/97/526003597.db2.gz DMURPMZZBKSWAM-INIZCTEOSA-N 0 0 491.544 4.110 50 0 JIAARN CSc1ccc(C[C@]2(CCC(=O)N3CCN(Cc4cccc(Cl)c4)CC3)CCC(=O)N2)cc1 ZINC000014968271 526009278 /nfs/dbraw/zinc/00/92/78/526009278.db2.gz LGUIYDXKXKBWFF-AREMUKBSSA-N 0 0 486.081 4.378 50 0 JIAARN CSc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(Br)cc4)o3)CC2=O)cc1 ZINC000033291334 526022523 /nfs/dbraw/zinc/02/25/23/526022523.db2.gz IQTRAHDWDSGHOR-ZDUSSCGKSA-N 0 0 473.352 4.327 50 0 JIAARN COc1cccc(CNS(=O)(=O)c2c3oc(C(=O)N4CCCC4)c(C)c3cc(C)c2C)c1 ZINC000065010508 526030143 /nfs/dbraw/zinc/03/01/43/526030143.db2.gz QJDDIRKJONWPPC-UHFFFAOYSA-N 0 0 456.564 4.081 50 0 JIAARN COc1cccc(CNc2ncnc3sc(C(=O)N(C)C[C@H](O)c4ccccc4)c(C)c32)c1OC ZINC000014885394 526046757 /nfs/dbraw/zinc/04/67/57/526046757.db2.gz BUQONOCWHOWWGF-IBGZPJMESA-N 0 0 492.601 4.435 50 0 JIAARN COc1cccc(C[C@@H](C2CCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)c2cccnc2)c1 ZINC000014887725 526072370 /nfs/dbraw/zinc/07/23/70/526072370.db2.gz CMCSICSVFNCVRN-SANMLTNESA-N 0 0 475.564 4.465 50 0 JIAARN C[C@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccccc3)cc2)CC1=O ZINC000008924071 526100966 /nfs/dbraw/zinc/10/09/66/526100966.db2.gz TVTJTZFMMNJAMN-AUSIDOKSSA-N 0 0 471.509 4.241 50 0 JIAARN Cc1ccc2c(=O)c(-c3nc(-c4ccccc4C)no3)cn(CC(=O)Nc3ccc4c(c3)OCO4)c2n1 ZINC000033284105 526116674 /nfs/dbraw/zinc/11/66/74/526116674.db2.gz XVVQLXNCRUCMOW-UHFFFAOYSA-N 0 0 495.495 4.098 50 0 JIAARN CSc1cccc(NC(=O)Cn2nc3c(SCc4ccc(Cl)cc4)nccn3c2=O)c1 ZINC000049008879 526116885 /nfs/dbraw/zinc/11/68/85/526116885.db2.gz ZYEIGZPTUZCIFJ-UHFFFAOYSA-N 0 0 471.995 4.197 50 0 JIAARN Cc1cc(=O)c(C(=O)N2CCOCC2)c2n1-c1ccccc1S[C@H](c1ccc(F)cc1F)C2 ZINC000014963363 526126409 /nfs/dbraw/zinc/12/64/09/526126409.db2.gz IMTFDWAMKGTGRU-QHCPKHFHSA-N 0 0 468.525 4.286 50 0 JIAARN CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000085643593 526139551 /nfs/dbraw/zinc/13/95/51/526139551.db2.gz RTHODBHNNOXSNT-UHFFFAOYSA-N 0 0 473.645 4.233 50 0 JIAARN Cc1cc(Br)c(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(Br)c1 ZINC000003321571 526153576 /nfs/dbraw/zinc/15/35/76/526153576.db2.gz WIDQIZFJGDSVKR-UHFFFAOYSA-N 0 0 487.192 4.103 50 0 JIAARN Cc1cc(Br)c(NC(=O)CSc2nnnn2C2CCCC2)c(Br)c1 ZINC000012804825 526153854 /nfs/dbraw/zinc/15/38/54/526153854.db2.gz ZDZRKUQIUCUZEY-UHFFFAOYSA-N 0 0 475.210 4.352 50 0 JIAARN COc1cccc(N2CCN(c3nnc(C(=O)NCCCc4ccccc4)c4ccccc43)CC2)c1 ZINC000034839650 526157330 /nfs/dbraw/zinc/15/73/30/526157330.db2.gz KQULLVSMPHLYIQ-UHFFFAOYSA-N 0 0 481.600 4.328 50 0 JIAARN C[C@H](c1nccs1)N1C(=O)c2cccc(N3CCC[C@H](C(=O)NCC4CCCCC4)C3)c2C1=O ZINC000039485068 526184504 /nfs/dbraw/zinc/18/45/04/526184504.db2.gz VCVOOPBKPPLEHC-MJGOQNOKSA-N 0 0 480.634 4.413 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1[C@@H](C)c1ccccc1 ZINC000008727526 526203928 /nfs/dbraw/zinc/20/39/28/526203928.db2.gz CMGBUYQFDVRKCA-MYUZEXMDSA-N 0 0 457.530 4.127 50 0 JIAARN COc1cccc(NC(=O)c2nc3c(=O)n(Cc4ccc(Cl)cc4)c4cc(C)ccc4n3n2)c1 ZINC000033274216 526206001 /nfs/dbraw/zinc/20/60/01/526206001.db2.gz DDJMLPZBWIZPDR-UHFFFAOYSA-N 0 0 473.920 4.315 50 0 JIAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)c(C)n1-c1nccs1 ZINC000013017487 526211922 /nfs/dbraw/zinc/21/19/22/526211922.db2.gz DKZRVHJARGOYSO-UHFFFAOYSA-N 0 0 479.558 4.232 50 0 JIAARN Cc1ccc2c(c1)c1ncn(Cc3nc(C4CC4)no3)c(=O)c1n2CC(=O)Nc1ccc(C)c(F)c1 ZINC000033281220 526217934 /nfs/dbraw/zinc/21/79/34/526217934.db2.gz MNHBKGRFWKUEHY-UHFFFAOYSA-N 0 0 486.507 4.055 50 0 JIAARN Cc1ccc2c(c1)c1ncn(Cc3nc(C4CC4)no3)c(=O)c1n2CC(=O)Nc1cc(C)cc(C)c1 ZINC000033281264 526217993 /nfs/dbraw/zinc/21/79/93/526217993.db2.gz FVPAVJJQGJILFG-UHFFFAOYSA-N 0 0 482.544 4.224 50 0 JIAARN Cc1ccc2c(c1)n(Cc1ccc(Cl)cc1)c(=O)c1nc(C(=O)NCCCc3ccccc3)nn12 ZINC000033274226 526218098 /nfs/dbraw/zinc/21/80/98/526218098.db2.gz MVGCMFOTPHAIRN-UHFFFAOYSA-N 0 0 485.975 4.417 50 0 JIAARN Cc1ccc2c(c1)n(Cc1ccccc1)c(=O)c1nc(C(=O)Nc3cccc(Br)c3)nn12 ZINC000033274403 526218828 /nfs/dbraw/zinc/21/88/28/526218828.db2.gz LSMRQILUDFRTSE-UHFFFAOYSA-N 0 0 488.345 4.416 50 0 JIAARN CSc1ncc(C(=O)OCC(=O)N(C)Cc2ccc(Cl)s2)n1-c1ccc(F)cc1 ZINC000036772231 526220199 /nfs/dbraw/zinc/22/01/99/526220199.db2.gz YITPOZFKPQEDTH-UHFFFAOYSA-N 0 0 453.948 4.264 50 0 JIAARN CSc1nn(CC(=O)Nc2cc(F)ccc2F)c(N)c1-c1nc(-c2ccc(C)cc2)no1 ZINC000046914392 526224848 /nfs/dbraw/zinc/22/48/48/526224848.db2.gz GWGFPRGVSWDYTF-UHFFFAOYSA-N 0 0 456.478 4.130 50 0 JIAARN CSc1nn(CC(=O)Nc2ccc(C)c(Cl)c2)c(N)c1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000012415307 526225022 /nfs/dbraw/zinc/22/50/22/526225022.db2.gz WWCQLXBNBBFXKS-UHFFFAOYSA-N 0 0 498.952 4.233 50 0 JIAARN CSc1nn(CC(=O)Nc2ccc(Br)cc2)c(N)c1-c1nc(-c2ccccc2)no1 ZINC000046915083 526225093 /nfs/dbraw/zinc/22/50/93/526225093.db2.gz FTGJNXGXTVZSAZ-UHFFFAOYSA-N 0 0 485.367 4.305 50 0 JIAARN COc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(OC)cc3OC)CC2)c1 ZINC000033288382 526243311 /nfs/dbraw/zinc/24/33/11/526243311.db2.gz XVHJGOOWVMSHOD-UHFFFAOYSA-N 0 0 464.522 4.150 50 0 JIAARN COc1cccc(Sc2nc3ccccc3n3c(=O)n(CC(=O)Nc4c(C)cccc4C)nc23)c1 ZINC000033262579 526246232 /nfs/dbraw/zinc/24/62/32/526246232.db2.gz MTDVMJHTQSKBOP-UHFFFAOYSA-N 0 0 485.569 4.460 50 0 JIAARN Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)o2)c1 ZINC000016047620 526256356 /nfs/dbraw/zinc/25/63/56/526256356.db2.gz WJENJAFKWDYXSS-UHFFFAOYSA-N 0 0 488.569 4.353 50 0 JIAARN Cc1ccc2ncc(C(=O)N3CCCC3)c(S(=O)(=O)c3ccc(Br)cc3)c2c1 ZINC000033249386 526256849 /nfs/dbraw/zinc/25/68/49/526256849.db2.gz ZLQORNWIEPZJPH-UHFFFAOYSA-N 0 0 459.365 4.375 50 0 JIAARN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3F)cn2CC(=O)N2CCCCC2)n1 ZINC000033307776 526300199 /nfs/dbraw/zinc/30/01/99/526300199.db2.gz TWIDMPDJDUBTGL-UHFFFAOYSA-N 0 0 476.599 4.181 50 0 JIAARN Cc1nn([C@@H](C)C(=O)Nc2cc(F)ccc2F)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033057976 526302014 /nfs/dbraw/zinc/30/20/14/526302014.db2.gz RZJKBEXMPLPHIF-INIZCTEOSA-N 0 0 474.471 4.159 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(F)c(F)c3)c12 ZINC000016992966 526308251 /nfs/dbraw/zinc/30/82/51/526308251.db2.gz NBXSTJHBEQWLTR-KRWDZBQOSA-N 0 0 482.512 4.297 50 0 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/nfs/dbraw/zinc/80/53/69/553805369.db2.gz MEFSUWZHYRIRCN-MAUKXSAKSA-N 0 0 450.417 4.084 50 0 JIAARN Cc1nn(C)cc1CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000000884676 553822772 /nfs/dbraw/zinc/82/27/72/553822772.db2.gz LXSVPCRFEUCQFU-DOTOQJQBSA-N 0 0 452.868 4.169 50 0 JIAARN CC(C)c1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)cc1 ZINC000000886922 553825402 /nfs/dbraw/zinc/82/54/02/553825402.db2.gz QWHHJEXTCFINDH-UHFFFAOYSA-N 0 0 452.532 4.373 50 0 JIAARN CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3C)n2-c2ccccc2OC)s1 ZINC000000907186 553839655 /nfs/dbraw/zinc/83/96/55/553839655.db2.gz AQGHQSJDGHOGCV-UHFFFAOYSA-N 0 0 466.592 4.396 50 0 JIAARN Cc1cc(OCC(=O)Nc2nonc2NC(=O)COc2ccc(Cl)c(C)c2)ccc1Cl ZINC000000937415 553874690 /nfs/dbraw/zinc/87/46/90/553874690.db2.gz LTUZXVBKPTUGTE-UHFFFAOYSA-N 0 0 465.293 4.028 50 0 JIAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000000941339 553876980 /nfs/dbraw/zinc/87/69/80/553876980.db2.gz KWJUWAVBHLHGCV-INIZCTEOSA-N 0 0 459.454 4.386 50 0 biogenic JIAARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Oc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000000941342 553877000 /nfs/dbraw/zinc/87/70/00/553877000.db2.gz SMNNXDVKUWPFIR-QGZVFWFLSA-N 0 0 451.475 4.471 50 0 biogenic JIAARN O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1cccc2ccccc21 ZINC000000941717 553877311 /nfs/dbraw/zinc/87/73/11/553877311.db2.gz IBFMLFHLNODQMH-RUZDIDTESA-N 0 0 478.504 4.229 50 0 JIAARN CCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(I)cc2)C1=O ZINC000000947629 553879568 /nfs/dbraw/zinc/87/95/68/553879568.db2.gz NFFWPICYJURWCM-UHFFFAOYSA-N 0 0 468.678 4.126 50 0 JIAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc2-c2cccnc2)cc1 ZINC000000949971 553880802 /nfs/dbraw/zinc/88/08/02/553880802.db2.gz DSUASAMWURZSDJ-UHFFFAOYSA-N 0 0 489.557 4.230 50 0 JIAARN CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(OC)cc2)sc2c1CC[C@H](C)C2 ZINC000000954968 553883182 /nfs/dbraw/zinc/88/31/82/553883182.db2.gz PKEPHGNZHOYVDD-JQVXPOPVSA-N 0 0 457.548 4.253 50 0 JIAARN COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccn2)cc1OCc1ccccc1 ZINC000000956731 553884535 /nfs/dbraw/zinc/88/45/35/553884535.db2.gz RCNVYWOAACUHMP-HSZRJFAPSA-N 0 0 460.559 4.101 50 0 JIAARN COc1ccc(NC(=O)c2c(C(=O)Nc3cccc(C)c3C)sc3nc(C)cc(=O)n32)cc1 ZINC000000959729 553885645 /nfs/dbraw/zinc/88/56/45/553885645.db2.gz BSJYOWXFDXWQPS-UHFFFAOYSA-N 0 0 462.531 4.194 50 0 JIAARN COc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000000972416 553888130 /nfs/dbraw/zinc/88/81/30/553888130.db2.gz MVCAKEXCHIUUSA-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN c1ccc(-n2nnnc2SCc2ccccc2CSc2nnnn2-c2ccccc2)cc1 ZINC000000984224 553892814 /nfs/dbraw/zinc/89/28/14/553892814.db2.gz CCRVJBQOBPIHQW-UHFFFAOYSA-N 0 0 458.576 4.223 50 0 JIAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1OC ZINC000000989856 553894307 /nfs/dbraw/zinc/89/43/07/553894307.db2.gz BYMOXWIOIJTERT-VWLOTQADSA-N 0 0 451.906 4.365 50 0 JIAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(CO)c3ccccc32)c(Br)c1 ZINC000001060777 553902681 /nfs/dbraw/zinc/90/26/81/553902681.db2.gz XVIJLUFNOAVIOR-ZQFKLAOWSA-N 0 0 474.354 4.301 50 0 JIAARN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cncc(Br)c1 ZINC000001155360 553918685 /nfs/dbraw/zinc/91/86/85/553918685.db2.gz AMRSNUWPSCGHMQ-UHFFFAOYSA-N 0 0 469.320 4.485 50 0 JIAARN CCOc1ccccc1N(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001173280 553923355 /nfs/dbraw/zinc/92/33/55/553923355.db2.gz LZQVXBYCDRGIGL-UHFFFAOYSA-N 0 0 452.576 4.214 50 0 JIAARN O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccccc1I ZINC000001181721 553929084 /nfs/dbraw/zinc/92/90/84/553929084.db2.gz QFGKLZYZKKHTJG-UHFFFAOYSA-N 0 0 451.333 4.018 50 0 JIAARN CCCCOc1ccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1OC ZINC000001855938 553996757 /nfs/dbraw/zinc/99/67/57/553996757.db2.gz SQMBKUFVVHCLSC-CPNJWEJPSA-N 0 0 486.391 4.316 50 0 JIAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nc(C)nc3sc4c(c32)CCCC4)c1 ZINC000001896165 554001702 /nfs/dbraw/zinc/00/17/02/554001702.db2.gz URDPYXFDLKVDQG-UHFFFAOYSA-N 0 0 485.587 4.183 50 0 JIAARN COc1ccc(CCNC(=O)COc2c(=O)c3ccccc3oc2-c2ccccc2)cc1OC ZINC000001994298 554008524 /nfs/dbraw/zinc/00/85/24/554008524.db2.gz KQUSCDTYJUYLFH-UHFFFAOYSA-N 0 0 459.498 4.215 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC)c(OC)c2)c2ccc(C)cc2)cc1 ZINC000002057237 554014981 /nfs/dbraw/zinc/01/49/81/554014981.db2.gz SWGSXEXKXQLKSN-UHFFFAOYSA-N 0 0 484.574 4.245 50 0 JIAARN CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000002079186 554025559 /nfs/dbraw/zinc/02/55/59/554025559.db2.gz QCWYUXPSKBSCMZ-GOSISDBHSA-N 0 0 497.183 4.392 50 0 JIAARN CCCc1cc(=O)oc2cc(OC(=O)CCCCCNS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002091760 554035071 /nfs/dbraw/zinc/03/50/71/554035071.db2.gz IQRATXKRRUWGGU-UHFFFAOYSA-N 0 0 471.575 4.498 50 0 biogenic JIAARN CCc1cc(=O)oc2c(C)c(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)[C@H](C)CC)ccc12 ZINC000002092025 554035308 /nfs/dbraw/zinc/03/53/08/554035308.db2.gz JMWAZPNUMIIFAI-WAIKUNEKSA-N 0 0 471.575 4.271 50 0 JIAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CC)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002092211 554035601 /nfs/dbraw/zinc/03/56/01/554035601.db2.gz GIPNWMZQIBXIOP-NRFANRHFSA-N 0 0 471.575 4.415 50 0 biogenic JIAARN CCCCc1cc(=O)oc2cc(C)cc(OC(=O)CCNS(=O)(=O)c3ccc(C)cc3)c12 ZINC000002093775 554037624 /nfs/dbraw/zinc/03/76/24/554037624.db2.gz ITIGQVLQROLBJL-UHFFFAOYSA-N 0 0 457.548 4.026 50 0 biogenic JIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)CC(=O)N23)c(OC)c1 ZINC000002104949 554045567 /nfs/dbraw/zinc/04/55/67/554045567.db2.gz QMPLYLVKBVFWIO-WNCULLNHSA-N 0 0 473.573 4.203 50 0 biogenic JIAARN CCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(Br)cc2)C1=O ZINC000002105353 554045913 /nfs/dbraw/zinc/04/59/13/554045913.db2.gz TXXCTOJGFAWEIN-UGKGYDQZSA-N 0 0 452.352 4.025 50 0 biogenic JIAARN CCCN1CC(=O)N2[C@H](c3ccc(Br)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002105351 554045918 /nfs/dbraw/zinc/04/59/18/554045918.db2.gz TXXCTOJGFAWEIN-SIKLNZKXSA-N 0 0 452.352 4.025 50 0 biogenic JIAARN Cc1oc2cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000002124130 554057759 /nfs/dbraw/zinc/05/77/59/554057759.db2.gz SFVPEDPUMOTXDQ-AWEZNQCLSA-N 0 0 481.501 4.358 50 0 biogenic JIAARN CC(=O)c1ccc(OC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@H]32)cc1 ZINC000002133691 554061221 /nfs/dbraw/zinc/06/12/21/554061221.db2.gz MGGJRQLYRZQVQO-AQKHVRLOSA-N 0 0 472.534 4.040 50 0 biogenic JIAARN CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1-c1ccc(C)cc1 ZINC000002143514 554065091 /nfs/dbraw/zinc/06/50/91/554065091.db2.gz HCTGUTQMZVRZNG-UHFFFAOYSA-N 0 0 455.609 4.043 50 0 JIAARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3 ZINC000002148748 554068171 /nfs/dbraw/zinc/06/81/71/554068171.db2.gz UIVPMZPWCVSNAC-XDHUDOTRSA-N 0 0 483.586 4.197 50 0 JIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4OC)CC(=O)N23)cc1 ZINC000002151737 554070188 /nfs/dbraw/zinc/07/01/88/554070188.db2.gz VWNCNWHDAWVMDF-RBJSKKJNSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCCCCO)CC(=O)N32)cc1 ZINC000002153887 554071539 /nfs/dbraw/zinc/07/15/39/554071539.db2.gz OTCMIULFPSDPRU-SHQCIBLASA-N 0 0 459.590 4.139 50 0 biogenic JIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(C)cc4)CC(=O)N32)c1 ZINC000002155992 554072524 /nfs/dbraw/zinc/07/25/24/554072524.db2.gz UVIVUAQKUKUKOB-LSYYVWMOSA-N 0 0 465.553 4.370 50 0 biogenic JIAARN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)ccc1O ZINC000002185234 554082276 /nfs/dbraw/zinc/08/22/76/554082276.db2.gz MFRYZULWNWESDL-ZGOFBEGVSA-N 0 0 496.588 4.042 50 0 JIAARN CCc1cc(=O)oc2cc(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)c(Cl)cc12 ZINC000002211057 554095087 /nfs/dbraw/zinc/09/50/87/554095087.db2.gz YAWAJKFZIBNMOT-JOCHJYFZSA-N 0 0 477.966 4.226 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)c(OC)c1 ZINC000002218191 554099317 /nfs/dbraw/zinc/09/93/17/554099317.db2.gz BDFVXDLXFMRKPW-UHFFFAOYSA-N 0 0 480.546 4.246 50 0 JIAARN CCOc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cccc(O)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000002231799 554105634 /nfs/dbraw/zinc/10/56/34/554105634.db2.gz YLVQTNHSVQTSHR-DBXPASCUSA-N 0 0 480.589 4.423 50 0 JIAARN COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NC(C)(C)CO)c3)c3ccccc32)cc1 ZINC000002233834 554106679 /nfs/dbraw/zinc/10/66/79/554106679.db2.gz LKPFXSLOTFTABW-UHFFFAOYSA-N 0 0 492.601 4.407 50 0 JIAARN COc1ccc(OC)c(-n2c(N)c(C(=O)NCc3ccc(C)cc3)c3nc4ccccc4nc32)c1 ZINC000002246057 554111360 /nfs/dbraw/zinc/11/13/60/554111360.db2.gz JLSWXFRLGXVENB-UHFFFAOYSA-N 0 0 467.529 4.412 50 0 JIAARN Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1-c1ccc(Cl)c(Cl)c1 ZINC000002291609 554135671 /nfs/dbraw/zinc/13/56/71/554135671.db2.gz HSYVZLGFEUIMKM-ZDUSSCGKSA-N 0 0 456.333 4.372 50 0 JIAARN CCOC(=O)c1ccc(NC2=C(Br)[C@](C)(C(=O)OCC)N(c3ccccc3)C2=O)cc1 ZINC000002342759 554156984 /nfs/dbraw/zinc/15/69/84/554156984.db2.gz ZDQZYGJJMCPHNQ-HSZRJFAPSA-N 0 0 487.350 4.250 50 0 JIAARN CCOC(=O)[C@@H](CC(C)C)NC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccccc1 ZINC000002344553 554158077 /nfs/dbraw/zinc/15/80/77/554158077.db2.gz WGRJOODZWQIHGV-WOHXKIKESA-N 0 0 487.394 4.314 50 0 JIAARN COc1ccc(OC)c(-n2c(N)c(C(=O)NCc3cccs3)c3nc4ccccc4nc32)c1 ZINC000002349378 554160510 /nfs/dbraw/zinc/16/05/10/554160510.db2.gz SGVXHJFKCCDRHJ-UHFFFAOYSA-N 0 0 459.531 4.165 50 0 JIAARN COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(Cl)cc1)C[C@H](C)CC3 ZINC000002348922 554160577 /nfs/dbraw/zinc/16/05/77/554160577.db2.gz KFYVNVKDCGKQPL-LLVKDONJSA-N 0 0 474.995 4.138 50 0 JIAARN CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3 ZINC000002371706 554170909 /nfs/dbraw/zinc/17/09/09/554170909.db2.gz GKLGJCUIFJNONP-OAQYLSRUSA-N 0 0 483.586 4.341 50 0 JIAARN COc1cc(-c2nc3s/c(=C\c4ccc(-c5ccc(Cl)cc5)o4)c(=O)n3n2)cc(OC)c1OC ZINC000002372387 554171601 /nfs/dbraw/zinc/17/16/01/554171601.db2.gz WABGNHIQSYMNBX-NDENLUEZSA-N 0 0 495.944 4.305 50 0 JIAARN O=C1/C(=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)c2ccccc2N1Cc1ccccc1F ZINC000002374530 554172717 /nfs/dbraw/zinc/17/27/17/554172717.db2.gz KBVTYZGLPPLDFZ-MRCUWXFGSA-N 0 0 488.931 4.075 50 0 JIAARN COc1ccc(-n2c(N)c(C(=O)NCc3cccs3)c3nc4ccccc4nc32)cc1OC ZINC000002382543 554176102 /nfs/dbraw/zinc/17/61/02/554176102.db2.gz PZSCIFCLMAWUBZ-UHFFFAOYSA-N 0 0 459.531 4.165 50 0 JIAARN CCOCCCNC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc21 ZINC000002383986 554176723 /nfs/dbraw/zinc/17/67/23/554176723.db2.gz DQXIMYIPPFGSEL-UHFFFAOYSA-N 0 0 457.456 4.331 50 0 JIAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1cccc(Br)c1 ZINC000002385213 554177337 /nfs/dbraw/zinc/17/73/37/554177337.db2.gz WJVILALRPKXDOZ-UHFFFAOYSA-N 0 0 470.352 4.475 50 0 JIAARN COc1ccc(OC)c(-n2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002386548 554177858 /nfs/dbraw/zinc/17/78/58/554177858.db2.gz YDDRCAMFMUYYMM-UHFFFAOYSA-N 0 0 453.502 4.103 50 0 JIAARN Cc1ccc(-c2nnc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c3ccccc32)cc1 ZINC000002394528 554181369 /nfs/dbraw/zinc/18/13/69/554181369.db2.gz HJGSKKZDFAIAFP-UHFFFAOYSA-N 0 0 462.550 4.255 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1Cl ZINC000002395829 554182640 /nfs/dbraw/zinc/18/26/40/554182640.db2.gz VEDRHNHCVBPYHM-UHFFFAOYSA-N 0 0 455.927 4.374 50 0 JIAARN CCCSc1nc2sc3c(c2c2nnc(SCC(=O)OC)n21)C[C@](C)(CC)OC3 ZINC000002399330 554184983 /nfs/dbraw/zinc/18/49/83/554184983.db2.gz ZYIAKQPQXRVCDD-IBGZPJMESA-N 0 0 452.627 4.348 50 0 JIAARN Nc1c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc2n1-c1cccc(Br)c1 ZINC000002404380 554187712 /nfs/dbraw/zinc/18/77/12/554187712.db2.gz UTPYJRKRWQWCHR-HNNXBMFYSA-N 0 0 467.323 4.254 50 0 JIAARN CCOC(=O)N1CCN(c2nc(SC(C)C)nc3sc4c(c32)CC(C)(C)OC4)CC1 ZINC000002409853 554190909 /nfs/dbraw/zinc/19/09/09/554190909.db2.gz FJSIRRYVMXGIRI-UHFFFAOYSA-N 0 0 450.630 4.322 50 0 JIAARN COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000002410059 554191377 /nfs/dbraw/zinc/19/13/77/554191377.db2.gz IJIVJLIXMMHRGO-GOSISDBHSA-N 0 0 469.906 4.373 50 0 JIAARN O=c1/c(=C/c2ccc(Cl)cc2Cl)sc2nc(-c3ccccc3Br)nn12 ZINC000002415227 554194485 /nfs/dbraw/zinc/19/44/85/554194485.db2.gz MVDIVOZKQMDKSX-AUWJEWJLSA-N 0 0 453.148 4.435 50 0 JIAARN CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(C(=O)OC)cc2)s1 ZINC000002415563 554194721 /nfs/dbraw/zinc/19/47/21/554194721.db2.gz NQICCPBEZQZKHG-SFHVURJKSA-N 0 0 481.917 4.397 50 0 JIAARN Nc1c(C(=O)OC[C@H]2CCCO2)c2nc3ccccc3nc2n1-c1ccc(Br)cc1 ZINC000002430492 554204560 /nfs/dbraw/zinc/20/45/60/554204560.db2.gz XMIVCYOEMDLYSP-OAHLLOKOSA-N 0 0 467.323 4.254 50 0 JIAARN Cc1ccc(S(=O)(=O)c2c(N)n(Cc3ccc4c(c3)OCO4)c3nc4ccccc4nc32)cc1C ZINC000002430985 554204925 /nfs/dbraw/zinc/20/49/25/554204925.db2.gz MSFAVEMBMMRQQP-UHFFFAOYSA-N 0 0 486.553 4.393 50 0 JIAARN COc1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)c1 ZINC000002433000 554206156 /nfs/dbraw/zinc/20/61/56/554206156.db2.gz RIVHGEMREWWQQJ-UHFFFAOYSA-N 0 0 450.520 4.238 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2Cc2ccco2)cc1 ZINC000002453766 554220918 /nfs/dbraw/zinc/22/09/18/554220918.db2.gz MLOVOCBDOVHJOA-UHFFFAOYSA-N 0 0 450.520 4.334 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000002495149 554227910 /nfs/dbraw/zinc/22/79/10/554227910.db2.gz VFLGDFBZSNCDKQ-JCAJYURWSA-N 0 0 487.408 4.414 50 0 JIAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)NC1CCCCC1 ZINC000002496925 554228505 /nfs/dbraw/zinc/22/85/05/554228505.db2.gz CPBWTGGLZGRWCT-UHFFFAOYSA-N 0 0 480.453 4.184 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(Cl)cc2)SCC3)c(OC)c1 ZINC000002496897 554228597 /nfs/dbraw/zinc/22/85/97/554228597.db2.gz UYGWBANHDMYGHJ-UHFFFAOYSA-N 0 0 490.006 4.282 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)NC(=O)NCc1ccccc1 ZINC000002616406 554241375 /nfs/dbraw/zinc/24/13/75/554241375.db2.gz YVHJEPMGGYUYTC-UHFFFAOYSA-N 0 0 475.549 4.251 50 0 JIAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000002618441 554242733 /nfs/dbraw/zinc/24/27/33/554242733.db2.gz GKSKFKXJDAVFRG-UHFFFAOYSA-N 0 0 457.935 4.057 50 0 JIAARN COc1cc(Cl)c(C)cc1-n1c(=O)c2ccccc2nc1SCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000002619626 554244283 /nfs/dbraw/zinc/24/42/83/554244283.db2.gz UMJRNJFANJNHCJ-HOTGVXAUSA-N 0 0 488.009 4.084 50 0 JIAARN CC(C)OCCCn1c(=O)c2ccccc2nc1SCC(=O)NCc1ccc(Cl)cc1 ZINC000002621741 554246320 /nfs/dbraw/zinc/24/63/20/554246320.db2.gz YKJMKQMIFSVOCR-UHFFFAOYSA-N 0 0 459.999 4.274 50 0 JIAARN CCn1nc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c2ccccc2c1=O ZINC000002625240 554249100 /nfs/dbraw/zinc/24/91/00/554249100.db2.gz ZXBXIDJJRPPBHG-UHFFFAOYSA-N 0 0 457.511 4.403 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)c1C ZINC000002640872 554260067 /nfs/dbraw/zinc/26/00/67/554260067.db2.gz QYCRQAMCWHSPLN-LJQANCHMSA-N 0 0 494.544 4.106 50 0 JIAARN Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1CCc1ccc(F)cc1 ZINC000002645208 554263035 /nfs/dbraw/zinc/26/30/35/554263035.db2.gz VTLPRSZAHKBKAO-UHFFFAOYSA-N 0 0 451.527 4.143 50 0 JIAARN CN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000002650885 554267056 /nfs/dbraw/zinc/26/70/56/554267056.db2.gz GQXFBWVICWBHAH-UHFFFAOYSA-N 0 0 457.452 4.192 50 0 JIAARN CCC[C@H](CNC(=O)COC(=O)[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1Cl ZINC000002663317 554276497 /nfs/dbraw/zinc/27/64/97/554276497.db2.gz QEZRRYXBKJUCSV-JLTOFOAXSA-N 0 0 452.334 4.377 50 0 JIAARN Cc1cc(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000002664551 554277359 /nfs/dbraw/zinc/27/73/59/554277359.db2.gz NBBCCJFULRNZJQ-GOSISDBHSA-N 0 0 473.481 4.091 50 0 JIAARN Cc1ccc(NC(=O)C[C@H]2Nc3ccccc3N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000002686943 554283223 /nfs/dbraw/zinc/28/32/23/554283223.db2.gz JMZWYBOYWZHFCX-OAQYLSRUSA-N 0 0 462.937 4.443 50 0 JIAARN CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc4c(cc32)OCCO4)cc1 ZINC000002687798 554283747 /nfs/dbraw/zinc/28/37/47/554283747.db2.gz XCERWBBAOHYNAY-UHFFFAOYSA-N 0 0 498.535 4.350 50 0 JIAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1ccccc1C ZINC000002691039 554286463 /nfs/dbraw/zinc/28/64/63/554286463.db2.gz SUAVYBKFSFPQKS-UHFFFAOYSA-N 0 0 476.554 4.180 50 0 JIAARN CCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccccc1 ZINC000002691397 554287126 /nfs/dbraw/zinc/28/71/26/554287126.db2.gz BCTLLTUDIOQSSC-UHFFFAOYSA-N 0 0 464.518 4.175 50 0 JIAARN Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(C)ccc32)cc1 ZINC000002691679 554287694 /nfs/dbraw/zinc/28/76/94/554287694.db2.gz HAZBIPRXZWJNEW-UHFFFAOYSA-N 0 0 464.518 4.229 50 0 JIAARN COc1cc2c(cc1OC)n(Cc1cccc(C)c1)cc(S(=O)(=O)c1ccc(F)cc1)c2=O ZINC000002691988 554288246 /nfs/dbraw/zinc/28/82/46/554288246.db2.gz CIEMQSVLRFTGMZ-UHFFFAOYSA-N 0 0 467.518 4.347 50 0 JIAARN CCOc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)C)cc3)c(O)n2)cc1 ZINC000002692131 554288587 /nfs/dbraw/zinc/28/85/87/554288587.db2.gz CAQDYILLZYSLQX-UHFFFAOYSA-N 0 0 487.603 4.268 50 0 JIAARN COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(OC)c(OC)cc32)c1 ZINC000002692249 554288656 /nfs/dbraw/zinc/28/86/56/554288656.db2.gz YYJQZBOWJDRCNC-UHFFFAOYSA-N 0 0 483.517 4.048 50 0 JIAARN COC(=O)[C@@H](C)Sc1nnc(CSc2ncccn2)n1-c1cccc(C(F)(F)F)c1 ZINC000002706229 554295439 /nfs/dbraw/zinc/29/54/39/554295439.db2.gz VJJHDAHHXJYSAL-LLVKDONJSA-N 0 0 455.487 4.022 50 0 JIAARN CCOC(=O)[C@H](CC)Sc1nnc(CSc2ncccn2)n1-c1ccc(OCC)cc1 ZINC000002706133 554295508 /nfs/dbraw/zinc/29/55/08/554295508.db2.gz TYRXZYAMKMLIRF-KRWDZBQOSA-N 0 0 459.597 4.182 50 0 JIAARN CCOC(=O)[C@@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(OCC)cc1 ZINC000002706358 554295600 /nfs/dbraw/zinc/29/56/00/554295600.db2.gz VKKHWCAAYSTQQE-MRXNPFEDSA-N 0 0 473.624 4.409 50 0 JIAARN COc1ccccc1NC(=O)CN1c2ccccc2S(=O)(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000002713051 554298413 /nfs/dbraw/zinc/29/84/13/554298413.db2.gz DAFQGJGSBOCVMT-UHFFFAOYSA-N 0 0 485.949 4.431 50 0 JIAARN OCCOCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002715025 554300700 /nfs/dbraw/zinc/30/07/00/554300700.db2.gz CCLCXMASNIHUHM-UHFFFAOYSA-N 0 0 453.340 4.271 50 0 JIAARN CCOCCCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nc2c3ccccc3oc2c1=O ZINC000002715897 554301111 /nfs/dbraw/zinc/30/11/11/554301111.db2.gz JWKSEBXNMPMNJG-UHFFFAOYSA-N 0 0 497.573 4.317 50 0 JIAARN COc1cccc(CNc2nc3c(S(=O)(=O)c4ccc(C)c(C)c4)nnn3c3ccccc32)c1 ZINC000002716033 554301702 /nfs/dbraw/zinc/30/17/02/554301702.db2.gz TWFYSUDNPGZQPZ-UHFFFAOYSA-N 0 0 473.558 4.348 50 0 JIAARN COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=S)NC(C)(C)C)cc1 ZINC000002718188 554303641 /nfs/dbraw/zinc/30/36/41/554303641.db2.gz ZIJAWHYMFLLWOZ-HXUWFJFHSA-N 0 0 472.607 4.142 50 0 JIAARN CCc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2OC)SCC3)cc1 ZINC000002719828 554304595 /nfs/dbraw/zinc/30/45/95/554304595.db2.gz IDIMKXWMKZLGNT-UHFFFAOYSA-N 0 0 453.589 4.183 50 0 JIAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccc4Cl)o3)cc2)CC1 ZINC000002723423 554308920 /nfs/dbraw/zinc/30/89/20/554308920.db2.gz LRDYJOKKCJHRIN-UHFFFAOYSA-N 0 0 460.943 4.063 50 0 JIAARN O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000002723589 554309897 /nfs/dbraw/zinc/30/98/97/554309897.db2.gz UYYFJLDPHXDYID-UHFFFAOYSA-N 0 0 466.972 4.269 50 0 JIAARN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000002735002 554318872 /nfs/dbraw/zinc/31/88/72/554318872.db2.gz MTSLTOJPQQXELF-QGZVFWFLSA-N 0 0 451.548 4.268 50 0 JIAARN COc1ccc(CC(=O)Nc2ccc(C)cc2NC(=O)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000002748315 554325250 /nfs/dbraw/zinc/32/52/50/554325250.db2.gz WQSAYJCHRBNBBL-UHFFFAOYSA-N 0 0 478.545 4.392 50 0 JIAARN Cc1nn(C)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)c1Br ZINC000002776859 554340059 /nfs/dbraw/zinc/34/00/59/554340059.db2.gz MQBVKBBEIDAALI-GFCCVEGCSA-N 0 0 492.443 4.106 50 0 JIAARN CCn1cc(CN(C)C(=O)[C@@H](C)n2nc(C(F)(F)F)c(Br)c2C2CC2)c(C)n1 ZINC000002777738 554340423 /nfs/dbraw/zinc/34/04/23/554340423.db2.gz NSLPSHTZXYEKAS-LLVKDONJSA-N 0 0 462.314 4.286 50 0 JIAARN CN(Cc1ccnn1C)C(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000002791972 554347456 /nfs/dbraw/zinc/34/74/56/554347456.db2.gz WGWAFYZHXUXUBO-UHFFFAOYSA-N 0 0 454.865 4.136 50 0 JIAARN COCn1cc(NC(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Cl)cn1 ZINC000002804805 554355568 /nfs/dbraw/zinc/35/55/68/554355568.db2.gz FZWBFAMUMFQLMF-UHFFFAOYSA-N 0 0 456.837 4.183 50 0 JIAARN CCn1ncc(-c2ccnc(SCC(=O)Nc3nn(Cc4ccccc4)cc3Cl)n2)c1C ZINC000002809156 554358978 /nfs/dbraw/zinc/35/89/78/554358978.db2.gz FVKZCSJQGARSQR-UHFFFAOYSA-N 0 0 467.986 4.297 50 0 JIAARN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000002815092 554362277 /nfs/dbraw/zinc/36/22/77/554362277.db2.gz ZRKASMBMWFCHSQ-UHFFFAOYSA-N 0 0 492.475 4.311 50 0 JIAARN CCCSc1nnc2c(n1)O[C@H](c1ccc(C(=O)OC)cc1)N(C(C)=O)c1ccccc1-2 ZINC000002821989 554364410 /nfs/dbraw/zinc/36/44/10/554364410.db2.gz LAXBFHKUSNVCTL-OAQYLSRUSA-N 0 0 450.520 4.271 50 0 JIAARN Cc1ccccc1CN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002835392 554369384 /nfs/dbraw/zinc/36/93/84/554369384.db2.gz RAOBUXBFWHNKMB-UHFFFAOYSA-N 0 0 469.006 4.424 50 0 JIAARN CC(=O)Nc1ccc(-c2nnc(SCC(=O)NC(c3ccccc3)c3ccccc3)n2C)cc1 ZINC000002835578 554369388 /nfs/dbraw/zinc/36/93/88/554369388.db2.gz SUZMIRBSMRSKGM-UHFFFAOYSA-N 0 0 471.586 4.438 50 0 JIAARN CCc1cccc(C)c1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000002835562 554369465 /nfs/dbraw/zinc/36/94/65/554369465.db2.gz DSJIKDMTDBCJBR-UHFFFAOYSA-N 0 0 482.602 4.404 50 0 JIAARN CCc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccc(Cl)cc2)n1CC ZINC000002840954 554372730 /nfs/dbraw/zinc/37/27/30/554372730.db2.gz PYVHLWVDTQJAJX-UHFFFAOYSA-N 0 0 457.987 4.175 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(N)c3)n2-c2ccccc2)cc1 ZINC000002848554 554377347 /nfs/dbraw/zinc/37/73/47/554377347.db2.gz UHHPHTRMXUJGEH-UHFFFAOYSA-N 0 0 473.558 4.424 50 0 JIAARN Cc1cc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)cc1OCC(=O)NC1CCCCC1 ZINC000002849841 554377876 /nfs/dbraw/zinc/37/78/76/554377876.db2.gz ORLJYHFQPQJYED-UHFFFAOYSA-N 0 0 477.026 4.223 50 0 JIAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000002853076 554381035 /nfs/dbraw/zinc/38/10/35/554381035.db2.gz YPNFVFGPHIMECZ-UHFFFAOYSA-N 0 0 483.295 4.285 50 0 JIAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000002855553 554382519 /nfs/dbraw/zinc/38/25/19/554382519.db2.gz DAUXRHHHNBXWFF-UHFFFAOYSA-N 0 0 466.592 4.128 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000002857604 554383940 /nfs/dbraw/zinc/38/39/40/554383940.db2.gz ZYMOLIUFJIWCGM-JOCHJYFZSA-N 0 0 450.516 4.106 50 0 JIAARN COC(=O)c1sc(NC(=S)Nc2cc(OC)c(Cl)cc2OC)c(C(=O)OC)c1C ZINC000002857348 554383971 /nfs/dbraw/zinc/38/39/71/554383971.db2.gz XMWUJWBYZJHCPM-UHFFFAOYSA-N 0 0 458.945 4.109 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2ccc(Cl)cc2)cc1OC ZINC000002869539 554395120 /nfs/dbraw/zinc/39/51/20/554395120.db2.gz XFHBDILTGNDHLD-QGZVFWFLSA-N 0 0 488.993 4.430 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(SC)cc3)cc2)cc1 ZINC000002875318 554398094 /nfs/dbraw/zinc/39/80/94/554398094.db2.gz XTTQSXYATLSOHS-UHFFFAOYSA-N 0 0 478.617 4.409 50 0 JIAARN CCc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002879573 554401106 /nfs/dbraw/zinc/40/11/06/554401106.db2.gz RZWAFNQZKZMMAJ-UHFFFAOYSA-N 0 0 466.559 4.163 50 0 JIAARN CCOC(=O)c1c(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)sc2c1CCCC2 ZINC000002879662 554401121 /nfs/dbraw/zinc/40/11/21/554401121.db2.gz NXSUJJSYGPEHEJ-MRXNPFEDSA-N 0 0 478.636 4.214 50 0 JIAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@H](O)Cn2cc(C=O)c3ccccc32)cc1 ZINC000002882279 554404727 /nfs/dbraw/zinc/40/47/27/554404727.db2.gz LAXYSGQVNPDVOS-HSZRJFAPSA-N 0 0 462.571 4.014 50 0 JIAARN COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1C ZINC000002883376 554404964 /nfs/dbraw/zinc/40/49/64/554404964.db2.gz AOTRMLKOLGZVJZ-UHFFFAOYSA-N 0 0 452.532 4.452 50 0 JIAARN CCOc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000002887242 554406704 /nfs/dbraw/zinc/40/67/04/554406704.db2.gz YWOGIPQQAKDQAV-UHFFFAOYSA-N 0 0 468.575 4.232 50 0 JIAARN Cc1c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000002887898 554407368 /nfs/dbraw/zinc/40/73/68/554407368.db2.gz QEHSWQDEHRECAM-UHFFFAOYSA-N 0 0 490.585 4.154 50 0 JIAARN CCN(CC)c1ccc2cc(-c3nnc(NCc4ccc5c(c4)OCO5)s3)c(=O)oc2c1 ZINC000002956125 554413015 /nfs/dbraw/zinc/41/30/15/554413015.db2.gz JJMNAEDINHRCHT-UHFFFAOYSA-N 0 0 450.520 4.499 50 0 JIAARN CC(C)(C)SCCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000002991587 554421046 /nfs/dbraw/zinc/42/10/46/554421046.db2.gz DBOANIWVKZKAJP-UHFFFAOYSA-N 0 0 485.469 4.292 50 0 JIAARN Cn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000002997432 554422146 /nfs/dbraw/zinc/42/21/46/554422146.db2.gz CVSDSMOBHHYDDS-UHFFFAOYSA-N 0 0 481.965 4.389 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc(-n3c(=O)c4ccccc4[nH]c3=S)cc2)cc1OC ZINC000003051901 554424402 /nfs/dbraw/zinc/42/44/02/554424402.db2.gz GMWREIDGFLQKRW-UHFFFAOYSA-N 0 0 461.543 4.038 50 0 biogenic JIAARN COc1ccc(CCNC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccc(F)cc2)c3=O)cc1OC ZINC000003632034 554468667 /nfs/dbraw/zinc/46/86/67/554468667.db2.gz ZXNCRGSUFDSWQP-UHFFFAOYSA-N 0 0 479.533 4.177 50 0 JIAARN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000006190504 554516596 /nfs/dbraw/zinc/51/65/96/554516596.db2.gz IKZFNIAMQFYRSM-PKTZIBPZSA-N 0 0 468.594 4.397 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N[C@@H](C)c1ccc(F)cc1)n2CC ZINC000006346829 554531990 /nfs/dbraw/zinc/53/19/90/554531990.db2.gz INPMSWJNWINFIU-INIZCTEOSA-N 0 0 492.642 4.195 50 0 JIAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@@H]2Nc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC000006577568 554552979 /nfs/dbraw/zinc/55/29/79/554552979.db2.gz NVDWZMNKWRPAMJ-XMMPIXPASA-N 0 0 461.518 4.289 50 0 JIAARN CC[C@H](C)NC(=O)[C@H]1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@H]1c1ccc(OC)cc1 ZINC000008016280 554563886 /nfs/dbraw/zinc/56/38/86/554563886.db2.gz WPOWLUNLGATGGF-YFBXQHAESA-N 0 0 470.566 4.120 50 0 JIAARN COc1ccc(CCNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000008383754 554567122 /nfs/dbraw/zinc/56/71/22/554567122.db2.gz DFJXTZICGOONLL-UHFFFAOYSA-N 0 0 495.041 4.040 50 0 JIAARN O=C(COC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc(OC(=O)c2ccco2)cc1 ZINC000008384428 554567650 /nfs/dbraw/zinc/56/76/50/554567650.db2.gz UWYWFIIZBXIIJB-UHFFFAOYSA-N 0 0 459.410 4.384 50 0 JIAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccccc3F)sc2=N1 ZINC000008425247 554580194 /nfs/dbraw/zinc/58/01/94/554580194.db2.gz VSBDPMYGTBTQAV-GOOXQAOHSA-N 0 0 469.541 4.013 50 0 JIAARN O=C(CSc1ncnc2[nH]cnc21)Nc1nnc(SCc2cccc3ccccc32)s1 ZINC000008438288 554589167 /nfs/dbraw/zinc/58/91/67/554589167.db2.gz YMOOMSIEQKXDID-UHFFFAOYSA-N 0 0 465.589 4.381 50 0 JIAARN O=C(COC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)c1ccc(Br)cc1 ZINC000008442163 554591635 /nfs/dbraw/zinc/59/16/35/554591635.db2.gz WQEZLQXQEZSXKH-UHFFFAOYSA-N 0 0 465.097 4.093 50 0 JIAARN CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4Cl)cc2)N3)C1 ZINC000008448860 554596010 /nfs/dbraw/zinc/59/60/10/554596010.db2.gz XCEBCTIYYLOEJT-HXUWFJFHSA-N 0 0 453.951 4.463 50 0 JIAARN CCc1ccc(NC(=O)CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccccc3)C2=O)cc1 ZINC000008595019 554602778 /nfs/dbraw/zinc/60/27/78/554602778.db2.gz CBXJIMZMMZDZRJ-AREMUKBSSA-N 0 0 457.555 4.167 50 0 JIAARN COc1ccc(C(=O)NC[C@]2(C)C[C@@H](NC(=O)c3ccc(OC)c(OC)c3)CC(C)(C)C2)cc1OC ZINC000008742128 554644797 /nfs/dbraw/zinc/64/47/97/554644797.db2.gz OAOTXEIIIYQSJM-WTYVLRPYSA-N 0 0 498.620 4.466 50 0 JIAARN C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1)c1ccccc1 ZINC000008744950 554647964 /nfs/dbraw/zinc/64/79/64/554647964.db2.gz RFQMLQJMMLEBDM-QGZVFWFLSA-N 0 0 452.532 4.140 50 0 JIAARN CC(=O)N1CCC(C(=O)N(C)Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)CC1 ZINC000008744874 554648075 /nfs/dbraw/zinc/64/80/75/554648075.db2.gz BNIIMZZGFQMIMC-UHFFFAOYSA-N 0 0 464.997 4.469 50 0 JIAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000008745960 554649123 /nfs/dbraw/zinc/64/91/23/554649123.db2.gz QNMMMCAOIWJFKZ-UHFFFAOYSA-N 0 0 463.578 4.259 50 0 JIAARN COc1ccc(NC(=O)c2cnc(SC)n2-c2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000008746251 554649219 /nfs/dbraw/zinc/64/92/19/554649219.db2.gz RAOWINWRQYDLND-UHFFFAOYSA-N 0 0 486.619 4.030 50 0 JIAARN C[C@@H](c1nnc(SCC(=O)NCc2ccccc2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000008746866 554649945 /nfs/dbraw/zinc/64/99/45/554649945.db2.gz OFRFJUNHHBNZLE-SFHVURJKSA-N 0 0 453.587 4.362 50 0 JIAARN C[C@H](Oc1ccc(Br)cc1Br)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000008746768 554649998 /nfs/dbraw/zinc/64/99/98/554649998.db2.gz JSJWNJWAMWVTIW-JTQLQIEISA-N 0 0 477.174 4.233 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCC(=O)c2ccc(Br)cc2)c1 ZINC000008748971 554651399 /nfs/dbraw/zinc/65/13/99/554651399.db2.gz BBFLGLCZYSCWML-UHFFFAOYSA-N 0 0 497.411 4.090 50 0 JIAARN COCCn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nc2sc(C)c(C)c2c1=O ZINC000008766816 554667351 /nfs/dbraw/zinc/66/73/51/554667351.db2.gz FQXAQEJJTGJENZ-SFHVURJKSA-N 0 0 457.621 4.007 50 0 JIAARN CCOC(=O)c1csc(-n2nc(-c3ccc(Br)cc3)cc2NC(=O)C(F)(F)F)n1 ZINC000008767871 554668498 /nfs/dbraw/zinc/66/84/98/554668498.db2.gz GYYRVAVFUYEWAR-UHFFFAOYSA-N 0 0 489.273 4.436 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(S(=O)(=O)c1ccc(NC(C)=O)cc1)CC2 ZINC000008771087 554670941 /nfs/dbraw/zinc/67/09/41/554670941.db2.gz MTDJCPFCBPOGSH-HSZRJFAPSA-N 0 0 472.588 4.060 50 0 JIAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000008771721 554671469 /nfs/dbraw/zinc/67/14/69/554671469.db2.gz IZELLMFBPSIBTN-QFIPXVFZSA-N 0 0 463.559 4.126 50 0 JIAARN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000008778422 554675313 /nfs/dbraw/zinc/67/53/13/554675313.db2.gz QHKTXFGTSXEKCX-YVXFQLMNSA-N 0 0 452.624 4.425 50 0 JIAARN CN(C)S(=O)(=O)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000008781619 554678615 /nfs/dbraw/zinc/67/86/15/554678615.db2.gz CPFPZATZRFZJPA-UHFFFAOYSA-N 0 0 456.364 4.162 50 0 JIAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN([C@H](C)CC)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008789266 554681624 /nfs/dbraw/zinc/68/16/24/554681624.db2.gz GDHKBOZSAUODSU-KLMLQECBSA-N 0 0 475.589 4.405 50 0 biogenic JIAARN COc1ccc(CCNC(=O)COc2cc3c(c4oc(=O)c(C)c(C)c24)CCC(C)(C)O3)cc1OC ZINC000008791438 554684474 /nfs/dbraw/zinc/68/44/74/554684474.db2.gz HZJPGCCXJYVYOP-UHFFFAOYSA-N 0 0 495.572 4.268 50 0 biogenic JIAARN O=C(NCCCSC1CCCCC1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008813419 554695965 /nfs/dbraw/zinc/69/59/65/554695965.db2.gz HGGGVWGHKNKVTH-UHFFFAOYSA-N 0 0 464.628 4.490 50 0 JIAARN Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1I ZINC000008814323 554696674 /nfs/dbraw/zinc/69/66/74/554696674.db2.gz AWVRKIRURVWINK-UHFFFAOYSA-N 0 0 456.711 4.342 50 0 JIAARN Cc1sc(NC(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)nc1-c1ccc(C)c(C)c1 ZINC000008825284 554713496 /nfs/dbraw/zinc/71/34/96/554713496.db2.gz XVCTWJRDHBCBLP-UHFFFAOYSA-N 0 0 493.618 4.242 50 0 JIAARN CCc1cc2c(nc(SCC(=O)NCC(F)(F)F)n(CCc3ccccc3)c2=O)s1 ZINC000008825854 554714565 /nfs/dbraw/zinc/71/45/65/554714565.db2.gz BQVSQPYROBUKPU-UHFFFAOYSA-N 0 0 455.527 4.034 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)Cn1c(=O)c2c(ncn2CCC(C)C)n(Cc2ccccc2)c1=O ZINC000008826028 554714967 /nfs/dbraw/zinc/71/49/67/554714967.db2.gz IBNCSIYQOHXFIQ-UHFFFAOYSA-N 0 0 493.995 4.055 50 0 JIAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)Cc1ccccc1 ZINC000008828785 554719277 /nfs/dbraw/zinc/71/92/77/554719277.db2.gz QOAJMQDSILONNN-UHFFFAOYSA-N 0 0 472.994 4.164 50 0 JIAARN Cc1ccc(S(=O)(=O)NC2=NC3=NC(c4ccc(Cl)cc4)=C[C@@H](c4ccccc4)N3N2)cc1 ZINC000008836752 554737050 /nfs/dbraw/zinc/73/70/50/554737050.db2.gz REXZAPNPZUTPGJ-QFIPXVFZSA-N 0 0 477.977 4.255 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000008839843 554739904 /nfs/dbraw/zinc/73/99/04/554739904.db2.gz ARBWHKBGBNEZPJ-QHCPKHFHSA-N 0 0 476.558 4.030 50 0 JIAARN COc1ccc(C(=O)[C@H](C)OC(=O)c2cc3cc(Br)cc(OC)c3oc2=O)cc1 ZINC000008843660 554740973 /nfs/dbraw/zinc/74/09/73/554740973.db2.gz HAWCNQXMXPEVED-NSHDSACASA-N 0 0 461.264 4.001 50 0 JIAARN CCOc1cc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)ccc1O ZINC000008845723 554743688 /nfs/dbraw/zinc/74/36/88/554743688.db2.gz BVPCWGHWNIGWDR-VWLOTQADSA-N 0 0 456.502 4.335 50 0 JIAARN Cc1sc2nc(COC(=O)[C@@H](NC(=O)c3ccc(C(C)(C)C)cc3)C(C)C)[nH]c(=O)c2c1C ZINC000008849647 554746948 /nfs/dbraw/zinc/74/69/48/554746948.db2.gz KAKUUWUCSARYBP-FQEVSTJZSA-N 0 0 469.607 4.397 50 0 JIAARN CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)c1 ZINC000008849295 554746967 /nfs/dbraw/zinc/74/69/67/554746967.db2.gz VLGBFRSJAWEMEQ-NRFANRHFSA-N 0 0 499.036 4.425 50 0 JIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)NCc3c(F)cccc3F)cs2)c1 ZINC000008851188 554748050 /nfs/dbraw/zinc/74/80/50/554748050.db2.gz QQAUKDYSZFCKPT-UHFFFAOYSA-N 0 0 463.531 4.020 50 0 JIAARN CC(C)(C)OC(=O)N1CCc2cccc(/C=C\C(=O)N3CCN(c4ccc(F)cc4)CC3)c21 ZINC000008857414 554753793 /nfs/dbraw/zinc/75/37/93/554753793.db2.gz MPWHBRHTNWQVCC-GHXNOFRVSA-N 0 0 451.542 4.485 50 0 JIAARN C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008861304 554758262 /nfs/dbraw/zinc/75/82/62/554758262.db2.gz BEVCDZIXVFKVHP-QGZVFWFLSA-N 0 0 473.558 4.279 50 0 JIAARN COc1ccc(Cc2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)n2N)cc1 ZINC000008861372 554758492 /nfs/dbraw/zinc/75/84/92/554758492.db2.gz ZHSYAWAKPGKGCD-QWHCGFSZSA-N 0 0 480.421 4.256 50 0 JIAARN Cc1sc2nc(CSCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)[nH]c(=O)c2c1C ZINC000008862432 554760423 /nfs/dbraw/zinc/76/04/23/554760423.db2.gz JQYZHHVQHKEJDE-QGZVFWFLSA-N 0 0 485.631 4.360 50 0 JIAARN CCOC(=O)C1(c2ccccc2)CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000008868827 554762674 /nfs/dbraw/zinc/76/26/74/554762674.db2.gz ZEZCHMFRDUSUTB-UHFFFAOYSA-N 0 0 450.457 4.121 50 0 JIAARN Cc1cc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)cc(=O)c2cc1C ZINC000008869108 554762864 /nfs/dbraw/zinc/76/28/64/554762864.db2.gz RYYCYJBHYKBMDN-KRWDZBQOSA-N 0 0 454.548 4.225 50 0 JIAARN CCOc1ccc(CN(C(=O)Cc2coc3ccc(CC)cc23)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008869292 554763060 /nfs/dbraw/zinc/76/30/60/554763060.db2.gz NOFASMJZRYAYTJ-OAQYLSRUSA-N 0 0 455.576 4.152 50 0 JIAARN Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000008869705 554763577 /nfs/dbraw/zinc/76/35/77/554763577.db2.gz NWQSRXHMIVMHHG-NRFANRHFSA-N 0 0 457.979 4.396 50 0 JIAARN COCCOc1cc(NC(=O)[C@](C)(O)CSc2ccccc2C(=O)OC)c(Cl)cc1Cl ZINC000008873370 554770198 /nfs/dbraw/zinc/77/01/98/554770198.db2.gz ZUCYHBMJOYCXLD-OAQYLSRUSA-N 0 0 488.389 4.287 50 0 JIAARN O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000008884287 554778628 /nfs/dbraw/zinc/77/86/28/554778628.db2.gz DFMUTZQIQQSMQX-UHFFFAOYSA-N 0 0 495.004 4.187 50 0 JIAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1 ZINC000008889680 554779898 /nfs/dbraw/zinc/77/98/98/554779898.db2.gz RNLZYRAVNDBWBW-IBGZPJMESA-N 0 0 456.713 4.061 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)CCC4)n2C[C@H]2CCCO2)cc1 ZINC000008893656 554782618 /nfs/dbraw/zinc/78/26/18/554782618.db2.gz PJSSOTAPKZEHHF-JOCHJYFZSA-N 0 0 464.591 4.352 50 0 JIAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(C)s2)cc1OC ZINC000008894940 554784406 /nfs/dbraw/zinc/78/44/06/554784406.db2.gz TXPIKSYRORJPQI-OAHLLOKOSA-N 0 0 460.606 4.395 50 0 JIAARN O=c1c2nnn(-c3ccc(OC(F)(F)F)cc3)c2ncn1Cc1ccc(Cl)c(Cl)c1 ZINC000008903473 554797702 /nfs/dbraw/zinc/79/77/02/554797702.db2.gz IBCKOLGVRJDWMV-UHFFFAOYSA-N 0 0 456.211 4.231 50 0 JIAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2cccs2)s1 ZINC000008912463 554802635 /nfs/dbraw/zinc/80/26/35/554802635.db2.gz OIAUWDLLORTUFS-UHFFFAOYSA-N 0 0 463.027 4.097 50 0 JIAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2cccs2)s1 ZINC000008912497 554802968 /nfs/dbraw/zinc/80/29/68/554802968.db2.gz IEQVVRBUEIMUPY-UHFFFAOYSA-N 0 0 456.636 4.142 50 0 JIAARN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)NCc3ccccc3Br)CC2)s1 ZINC000008912650 554803268 /nfs/dbraw/zinc/80/32/68/554803268.db2.gz IFOLBMNYSRPTLN-UHFFFAOYSA-N 0 0 474.428 4.241 50 0 JIAARN Cc1nc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4C)CC3)ccc2n1C1CCCC1 ZINC000008912940 554803856 /nfs/dbraw/zinc/80/38/56/554803856.db2.gz YDQSEURDXPAXGR-UHFFFAOYSA-N 0 0 494.661 4.485 50 0 JIAARN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)CCC(=O)Nc3ccccc3C)cc2)cc1 ZINC000008922304 554819139 /nfs/dbraw/zinc/81/91/39/554819139.db2.gz AXNJPFNCELXAJZ-UHFFFAOYSA-N 0 0 495.553 4.216 50 0 JIAARN COc1ccc([C@H]2CC(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)cc1OC ZINC000008931945 554826334 /nfs/dbraw/zinc/82/63/34/554826334.db2.gz FJIHEAJHYZCECO-HSZRJFAPSA-N 0 0 455.507 4.295 50 0 JIAARN COc1cc(C[NH2+]Cc2c(C)n(Cc3ccccc3C)c(C)c2C(=O)[O-])cc(OC)c1OC ZINC000008932688 554826476 /nfs/dbraw/zinc/82/64/76/554826476.db2.gz DQJKGLLXRGWPSM-UHFFFAOYSA-N 0 0 452.551 4.475 50 0 JIAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)NCCCc1ccccc1 ZINC000008933350 554827345 /nfs/dbraw/zinc/82/73/45/554827345.db2.gz IXJGNFWYRVMFFQ-UHFFFAOYSA-N 0 0 468.532 4.288 50 0 JIAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000008933651 554827991 /nfs/dbraw/zinc/82/79/91/554827991.db2.gz CFYNZYDSJMLVRV-UHFFFAOYSA-N 0 0 481.600 4.448 50 0 JIAARN COC[C@H](C)n1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)c1C ZINC000008941979 554832095 /nfs/dbraw/zinc/83/20/95/554832095.db2.gz KYPRSWGUPAAKKM-HKUYNNGSSA-N 0 0 469.607 4.176 50 0 JIAARN C[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000008942991 554832355 /nfs/dbraw/zinc/83/23/55/554832355.db2.gz QOFMIKVEUIUJNJ-KRWDZBQOSA-N 0 0 495.004 4.260 50 0 JIAARN Cc1nc2c(s1)c(-c1ccc(C)cc1C)nn(CC(=O)NCc1ccccc1Cl)c2=O ZINC000008955852 554837033 /nfs/dbraw/zinc/83/70/33/554837033.db2.gz DZCBVFKILMEAGL-UHFFFAOYSA-N 0 0 452.967 4.415 50 0 JIAARN CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965306 554839709 /nfs/dbraw/zinc/83/97/09/554839709.db2.gz UHCQWRJSTHFTAV-UZUQRXQVSA-N 0 0 486.572 4.404 50 0 JIAARN O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000008965736 554840832 /nfs/dbraw/zinc/84/08/32/554840832.db2.gz HPHJMPDPZLKFNF-UHFFFAOYSA-N 0 0 467.517 4.077 50 0 JIAARN COc1ccccc1-n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccs1 ZINC000008966015 554841606 /nfs/dbraw/zinc/84/16/06/554841606.db2.gz KAUKXVSKUSFQFO-UHFFFAOYSA-N 0 0 466.544 4.464 50 0 JIAARN CCn1c(-c2ccc3c(c2)OCCO3)cnc1S[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008966044 554841626 /nfs/dbraw/zinc/84/16/26/554841626.db2.gz LPUVHELLRLCFBR-SFHVURJKSA-N 0 0 494.617 4.297 50 0 JIAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)CC2=O)cc1 ZINC000008966094 554841918 /nfs/dbraw/zinc/84/19/18/554841918.db2.gz PSSVXOBWEJBIIQ-IBGZPJMESA-N 0 0 459.550 4.062 50 0 JIAARN Cc1sc2nc(-c3cccc(NC(=O)CN(C)Cc4ccc5c(c4)OCO5)c3)[nH]c(=O)c2c1C ZINC000008985376 554848817 /nfs/dbraw/zinc/84/88/17/554848817.db2.gz PCGPCDRJHDNKFX-UHFFFAOYSA-N 0 0 476.558 4.068 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000008988484 554850872 /nfs/dbraw/zinc/85/08/72/554850872.db2.gz YBVQLLXOECECHF-WOJBJXKFSA-N 0 0 464.587 4.004 50 0 JIAARN COc1ccccc1N1CCN(C(=O)COc2ccc3c(c2)occ(-c2ccccc2)c3=O)CC1 ZINC000008991244 554852649 /nfs/dbraw/zinc/85/26/49/554852649.db2.gz CSPDAAHJWDTYQB-UHFFFAOYSA-N 0 0 470.525 4.196 50 0 biogenic JIAARN Cc1cc(C)nc(SCc2nc3cc(NC(=O)[C@@H]4COc5ccccc5O4)ccc3n2C)n1 ZINC000008992734 554853300 /nfs/dbraw/zinc/85/33/00/554853300.db2.gz BWIKQELYHOTVEK-NRFANRHFSA-N 0 0 461.547 4.051 50 0 JIAARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=Cc4ccccc4N2[C@@H]3C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009009825 554863250 /nfs/dbraw/zinc/86/32/50/554863250.db2.gz IICKGZRBPGMZNT-VPBXCIAMSA-N 0 0 499.954 4.377 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 ZINC000009010717 554864003 /nfs/dbraw/zinc/86/40/03/554864003.db2.gz FRNFZFQMURXSSU-HNNXBMFYSA-N 0 0 462.531 4.116 50 0 JIAARN CCCCc1cc(=O)oc2cc(OCC(=O)N3Cc4[nH]c5ccccc5c4C[C@H]3C(=O)OC)ccc12 ZINC000009034110 554868569 /nfs/dbraw/zinc/86/85/69/554868569.db2.gz BUSHNLZDNGEFGZ-DEOSSOPVSA-N 0 0 488.540 4.122 50 0 biogenic JIAARN O=C(c1cccc(C(F)(F)F)c1)N1CCCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009051070 554872087 /nfs/dbraw/zinc/87/20/87/554872087.db2.gz CIUFXBUVLIXIAS-UHFFFAOYSA-N 0 0 452.498 4.473 50 0 JIAARN Cc1cccc(-c2nnc([C@H](C)Sc3nnc(N4CCOCC4)n3Cc3ccccc3)o2)c1 ZINC000009051755 554872466 /nfs/dbraw/zinc/87/24/66/554872466.db2.gz KEEDIPTTZGYRKO-SFHVURJKSA-N 0 0 462.579 4.375 50 0 JIAARN CNC(=O)[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000009052119 554872738 /nfs/dbraw/zinc/87/27/38/554872738.db2.gz AOOHHVRJFYOXBS-HNNXBMFYSA-N 0 0 455.285 4.120 50 0 JIAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C ZINC000009053624 554873105 /nfs/dbraw/zinc/87/31/05/554873105.db2.gz MBZVCMMOGLRTPW-TZYHBYERSA-N 0 0 477.634 4.500 50 0 JIAARN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)C2=O)c1 ZINC000009056438 554874760 /nfs/dbraw/zinc/87/47/60/554874760.db2.gz GSYFORFVPKOZRA-SQJMNOBHSA-N 0 0 461.543 4.027 50 0 JIAARN CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000009066150 554885474 /nfs/dbraw/zinc/88/54/74/554885474.db2.gz MWYWRFTUJZMLGM-YCAMKHIRSA-N 0 0 472.928 4.446 50 0 JIAARN CCN1c2ccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)c3cccc(c23)C1=O ZINC000009069085 554886037 /nfs/dbraw/zinc/88/60/37/554886037.db2.gz FGHRMCXXDKGBTH-NRFANRHFSA-N 0 0 483.977 4.265 50 0 JIAARN CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nnc1-c1ccc(Cl)cc1 ZINC000009072301 554886469 /nfs/dbraw/zinc/88/64/69/554886469.db2.gz LCIJMINBSMFTGY-UHFFFAOYSA-N 0 0 482.997 4.147 50 0 JIAARN CCOc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000009094885 554892405 /nfs/dbraw/zinc/89/24/05/554892405.db2.gz LMKUFGHTRBQNOO-NRFANRHFSA-N 0 0 458.967 4.267 50 0 JIAARN COCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1cccc(OC)c1 ZINC000009095183 554892828 /nfs/dbraw/zinc/89/28/28/554892828.db2.gz ONUNZHXAQNKRMJ-HHHXNRCGSA-N 0 0 469.541 4.151 50 0 JIAARN COc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3c(C)cc(C)cc3C)n2)cc1OC ZINC000009095278 554893051 /nfs/dbraw/zinc/89/30/51/554893051.db2.gz RIZYTIIMBWXTFV-UHFFFAOYSA-N 0 0 459.568 4.278 50 0 JIAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000009101390 554896582 /nfs/dbraw/zinc/89/65/82/554896582.db2.gz ZIKDVWWDQHFZJJ-KRWDZBQOSA-N 0 0 465.531 4.234 50 0 JIAARN COc1cc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(-c3ccc(C)c(C)c3)c2=O)cc(OC)c1 ZINC000009116542 554904630 /nfs/dbraw/zinc/90/46/30/554904630.db2.gz JAOOBUFYVBPUAE-UHFFFAOYSA-N 0 0 499.523 4.171 50 0 JIAARN COc1cccc(CNC(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)c1 ZINC000009117247 554906167 /nfs/dbraw/zinc/90/61/67/554906167.db2.gz BPJSWBCUHTWTPT-UHFFFAOYSA-N 0 0 465.554 4.138 50 0 JIAARN Cc1ccc(-c2cn3nc(N4CCC(C(=O)NCCc5cccs5)CC4)sc3n2)cc1 ZINC000009117326 554906449 /nfs/dbraw/zinc/90/64/49/554906449.db2.gz AOXPGMDXDHXILX-UHFFFAOYSA-N 0 0 451.621 4.403 50 0 JIAARN Cc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCCc5cccs5)C4)sc3n2)cc1 ZINC000009117537 554906982 /nfs/dbraw/zinc/90/69/82/554906982.db2.gz OASNHUHWBNMDMH-GOSISDBHSA-N 0 0 451.621 4.403 50 0 JIAARN Cn1c2ccccc2c(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c1-c1ccccc1 ZINC000009117947 554907546 /nfs/dbraw/zinc/90/75/46/554907546.db2.gz QDPQZRFHQYDPQS-LJAQVGFWSA-N 0 0 495.535 4.266 50 0 JIAARN CN(Cc1ccccc1N1CCCC1)C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000009118184 554908000 /nfs/dbraw/zinc/90/80/00/554908000.db2.gz RJFXIQOVNIVXSS-UHFFFAOYSA-N 0 0 499.658 4.211 50 0 JIAARN C[C@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(F)cc3F)c3ccccc32)C[C@H](C)O1 ZINC000009118557 554908466 /nfs/dbraw/zinc/90/84/66/554908466.db2.gz WKZMXTCCVDIEQG-HOTGVXAUSA-N 0 0 473.545 4.286 50 0 JIAARN COc1ccc(S(=O)(=O)c2cn(C)c3cc(N4C[C@@H](C)C[C@H](C)C4)c(F)cc3c2=O)cc1 ZINC000009119273 554910002 /nfs/dbraw/zinc/91/00/02/554910002.db2.gz BDKGXIBSVMHSKW-HOTGVXAUSA-N 0 0 458.555 4.001 50 0 JIAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)C1=O ZINC000009119916 554911787 /nfs/dbraw/zinc/91/17/87/554911787.db2.gz GCZCXWOQRPWURR-ACSYHNTCSA-N 0 0 498.583 4.364 50 0 JIAARN O=C(Oc1ccc(OCc2ccccc2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009120492 554913533 /nfs/dbraw/zinc/91/35/33/554913533.db2.gz DCOJGTIYVCYMSV-UHFFFAOYSA-N 0 0 451.544 4.272 50 0 JIAARN COc1ccc(C2=NN(C(=O)CSc3nnc(-c4ccoc4C)n3C)[C@H](c3ccco3)C2)cc1 ZINC000009120675 554914032 /nfs/dbraw/zinc/91/40/32/554914032.db2.gz LMLNRQIPRWRIET-FQEVSTJZSA-N 0 0 477.546 4.455 50 0 JIAARN CCCCNc1nc2ccccc2n1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000009120727 554914126 /nfs/dbraw/zinc/91/41/26/554914126.db2.gz ACEZYZCKIQNDCK-UHFFFAOYSA-N 0 0 499.637 4.070 50 0 JIAARN CC(C)Cn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009125297 554917556 /nfs/dbraw/zinc/91/75/56/554917556.db2.gz YJBLZYYLEIJQET-UHFFFAOYSA-N 0 0 487.025 4.273 50 0 JIAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1OCCOc1ccccc1 ZINC000009125375 554917738 /nfs/dbraw/zinc/91/77/38/554917738.db2.gz HGGNWPQKGGBSNQ-UHFFFAOYSA-N 0 0 466.559 4.181 50 0 JIAARN CSCC[C@@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1nc2ccccc2[nH]1 ZINC000009125846 554918638 /nfs/dbraw/zinc/91/86/38/554918638.db2.gz NKVRQMNXKIRORJ-JOCHJYFZSA-N 0 0 469.570 4.486 50 0 JIAARN Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000009126574 554920504 /nfs/dbraw/zinc/92/05/04/554920504.db2.gz RDMIFERZVLMQMZ-UHFFFAOYSA-N 0 0 471.966 4.126 50 0 JIAARN COc1cccc(C(=O)Nc2c(-c3cc(OC)c(OC)c(OC)c3)c(=O)c3ccccc3n2C)c1 ZINC000009128637 554925702 /nfs/dbraw/zinc/92/57/02/554925702.db2.gz OIXUWGIIXIYYLX-UHFFFAOYSA-N 0 0 474.513 4.492 50 0 JIAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CCn2c3ccccc3sc2=O)cc1 ZINC000009128709 554925877 /nfs/dbraw/zinc/92/58/77/554925877.db2.gz AAVAIYSRCLADIP-SFHVURJKSA-N 0 0 473.620 4.045 50 0 JIAARN O=C(NC(=S)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1cccs1 ZINC000009138401 554933556 /nfs/dbraw/zinc/93/35/56/554933556.db2.gz DQIHOBXTBXSCLG-UHFFFAOYSA-N 0 0 458.030 4.093 50 0 JIAARN O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cccs1 ZINC000009139728 554934494 /nfs/dbraw/zinc/93/44/94/554934494.db2.gz GWZNSLZUCIVNSZ-UHFFFAOYSA-N 0 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O=C(Nc1nnc(SCCCc2ccccc2)s1)C1CCN(C(=O)c2ccco2)CC1 ZINC000009191017 554962900 /nfs/dbraw/zinc/96/29/00/554962900.db2.gz MAFYDHCBAZELRQ-UHFFFAOYSA-N 0 0 456.593 4.347 50 0 JIAARN O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccco2)sc2nc(/C=C/c3ccccc3)nn12 ZINC000009191926 554964520 /nfs/dbraw/zinc/96/45/20/554964520.db2.gz VAJWZMLWGMPCPJ-YGUVTARBSA-N 0 0 463.522 4.315 50 0 JIAARN COc1ccccc1N1CCN(C(=O)CN2C(=O)c3ccccc3[C@H]2c2cn(C)c3ccccc23)CC1 ZINC000009192403 554965256 /nfs/dbraw/zinc/96/52/56/554965256.db2.gz NYSQRIGIPKXAOJ-LJAQVGFWSA-N 0 0 494.595 4.081 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2NCc2ccco2)cc1 ZINC000009203288 554973564 /nfs/dbraw/zinc/97/35/64/554973564.db2.gz GPUYVKNCNOPGLC-UHFFFAOYSA-N 0 0 474.585 4.322 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2N2CCCCC2)cc1 ZINC000009203166 554973570 /nfs/dbraw/zinc/97/35/70/554973570.db2.gz PMVAZXXHAUJBJU-UHFFFAOYSA-N 0 0 462.618 4.107 50 0 JIAARN O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000009203431 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CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)c1 ZINC000009547255 555343669 /nfs/dbraw/zinc/34/36/69/555343669.db2.gz PFJAAQXCENXWDE-UHFFFAOYSA-N 0 0 479.558 4.339 50 0 JIAARN O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)Nc1nc2c(s1)CCCC2 ZINC000013146530 555346163 /nfs/dbraw/zinc/34/61/63/555346163.db2.gz BOEQRTBAAAIAGJ-UHFFFAOYSA-N 0 0 467.922 4.001 50 0 JIAARN COc1cccc(CN(C)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1OC ZINC000009548927 555346274 /nfs/dbraw/zinc/34/62/74/555346274.db2.gz BGNOJXOKOZUSOH-UHFFFAOYSA-N 0 0 468.575 4.110 50 0 JIAARN CCCCCn1nc(C(=O)OCC(=O)c2ccc(Br)cc2)c2ccccc2c1=O ZINC000013147584 555346796 /nfs/dbraw/zinc/34/67/96/555346796.db2.gz JXKUTSLXFSJAMP-UHFFFAOYSA-N 0 0 457.324 4.389 50 0 JIAARN COc1cc(C(=O)N2CCN(c3ccccn3)CC2)cc(Br)c1OCc1ccccc1 ZINC000009549224 555346878 /nfs/dbraw/zinc/34/68/78/555346878.db2.gz MFOBCSUJLZESTA-UHFFFAOYSA-N 0 0 482.378 4.394 50 0 JIAARN Cc1cc(N2CCN(Cc3nc(=O)c4c(-c5cccs5)csc4[nH]3)CC2)nc(C(C)C)n1 ZINC000009639040 555348079 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CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1 ZINC000009559473 555354451 /nfs/dbraw/zinc/35/44/51/555354451.db2.gz AQMNJNDLTCVFLU-AWEZNQCLSA-N 0 0 457.415 4.112 50 0 JIAARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2cc3c(cc2Br)OCO3)CC(=O)N1 ZINC000009559864 555355647 /nfs/dbraw/zinc/35/56/47/555355647.db2.gz VEECMSPDIPAHAX-OAHLLOKOSA-N 0 0 450.329 4.321 50 0 JIAARN Cc1ccc(-n2c(=O)c3c(nc2SCC(=O)N2CCN(c4ccccc4)CC2)C[C@H](C)S3)cc1 ZINC000009560143 555355924 /nfs/dbraw/zinc/35/59/24/555355924.db2.gz HPSSTNAXXQUBMR-IBGZPJMESA-N 0 0 492.670 4.019 50 0 JIAARN O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccc(Oc2ccccc2)c1 ZINC000009642990 555356187 /nfs/dbraw/zinc/35/61/87/555356187.db2.gz NPIWJUNMCKXNKZ-UHFFFAOYSA-N 0 0 459.546 4.404 50 0 JIAARN O=C([C@H](Sc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)c1ccccc1)N1CCOCC1 ZINC000009643657 555356468 /nfs/dbraw/zinc/35/64/68/555356468.db2.gz HIHNBPAPZRGXEC-JOCHJYFZSA-N 0 0 475.549 4.161 50 0 JIAARN O=C([C@H](Sc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccccc1)N1CCOCC1 ZINC000009644141 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CCOC(=O)c1sc(NC(=O)CSc2nnc(C)n2-c2ccccc2)c(C(=O)OCC)c1C ZINC000009664977 555374876 /nfs/dbraw/zinc/37/48/76/555374876.db2.gz DNBZQFFGNZYRET-UHFFFAOYSA-N 0 0 488.591 4.030 50 0 JIAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009665092 555375323 /nfs/dbraw/zinc/37/53/23/555375323.db2.gz WSFMGVTXDWFOEX-IAGOWNOFSA-N 0 0 491.009 4.038 50 0 JIAARN CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C(N)=O)cc3)c2C1 ZINC000009665370 555376175 /nfs/dbraw/zinc/37/61/75/555376175.db2.gz FGARBRQPPFQQQC-QGZVFWFLSA-N 0 0 459.546 4.280 50 0 JIAARN COc1cc(NC(=O)C2CCN(c3cc(C)c4cc(NC(C)=O)ccc4n3)CC2)cc(OC)c1OC ZINC000013347271 555377668 /nfs/dbraw/zinc/37/76/68/555377668.db2.gz RZCLSAYKAWBNOC-UHFFFAOYSA-N 0 0 492.576 4.383 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H](C(=O)NCCC(C)C)C3)cc2)c(C)c1 ZINC000013352421 555380910 /nfs/dbraw/zinc/38/09/10/555380910.db2.gz KLTWPWPDZMIZDH-HSZRJFAPSA-N 0 0 499.677 4.427 50 0 JIAARN 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S=C(NC[C@H]1CCCO1)Nc1ccc(Oc2ccc(NC(=S)NC[C@@H]3CCCO3)cc2)cc1 ZINC000015980496 556099551 /nfs/dbraw/zinc/09/95/51/556099551.db2.gz MZLGWAHWBUHCKY-SZPZYZBQSA-N 0 0 486.663 4.410 50 0 JIAARN O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)CC1 ZINC000023908906 556100418 /nfs/dbraw/zinc/10/04/18/556100418.db2.gz AKESKHZQPLVTDM-UHFFFAOYSA-N 0 0 483.037 4.146 50 0 JIAARN Cc1ccc(NC(=O)Cc2nc(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)cs2)cc1 ZINC000023935759 556101951 /nfs/dbraw/zinc/10/19/51/556101951.db2.gz RZHVASFHBKEYLZ-UHFFFAOYSA-N 0 0 475.540 4.369 50 0 JIAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)CC2)c1 ZINC000015997086 556103644 /nfs/dbraw/zinc/10/36/44/556103644.db2.gz GZATYSCHDLOXIN-CQSZACIVSA-N 0 0 483.417 4.474 50 0 JIAARN O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000023955820 556104202 /nfs/dbraw/zinc/10/42/02/556104202.db2.gz FRTIUSUGGGPTOR-UHFFFAOYSA-N 0 0 487.984 4.238 50 0 JIAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1)c1ccc2c(c1)CCCC2 ZINC000023956819 556105881 /nfs/dbraw/zinc/10/58/81/556105881.db2.gz NMIJZAGHIVNCRF-UHFFFAOYSA-N 0 0 480.609 4.270 50 0 JIAARN C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1Br ZINC000012738303 556106751 /nfs/dbraw/zinc/10/67/51/556106751.db2.gz WEFSGYIGGDYHHY-MRXNPFEDSA-N 0 0 480.428 4.184 50 0 JIAARN COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000016001872 556106750 /nfs/dbraw/zinc/10/67/50/556106750.db2.gz QYHBXRKBQHUVCN-CBPXPLCBSA-N 0 0 464.949 4.479 50 0 JIAARN COc1ccc(CCNc2nnc(SCc3nc4sc(C)c(C)c4c(=O)[nH]3)s2)cc1OC ZINC000023968366 556108913 /nfs/dbraw/zinc/10/89/13/556108913.db2.gz NHISRQBXAKEZFQ-UHFFFAOYSA-N 0 0 489.648 4.417 50 0 JIAARN O=C(Nc1ccccc1I)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012781312 556111966 /nfs/dbraw/zinc/11/19/66/556111966.db2.gz HGMCWGYKPOUNFI-UHFFFAOYSA-N 0 0 473.314 4.370 50 0 JIAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000023983917 556112079 /nfs/dbraw/zinc/11/20/79/556112079.db2.gz DZEOTMRUWLHEFJ-UHFFFAOYSA-N 0 0 494.521 4.473 50 0 JIAARN COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccn4)CC3)c3ccccc3n2)cc1OC ZINC000023983790 556112100 /nfs/dbraw/zinc/11/21/00/556112100.db2.gz XSKOAGYWKCEIDQ-UHFFFAOYSA-N 0 0 468.557 4.272 50 0 JIAARN O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023983967 556112483 /nfs/dbraw/zinc/11/24/83/556112483.db2.gz ILZBFPAFHFBTHS-UHFFFAOYSA-N 0 0 492.626 4.055 50 0 JIAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000023989379 556112836 /nfs/dbraw/zinc/11/28/36/556112836.db2.gz ALKVHZGTKHBQGS-MHZLTWQESA-N 0 0 496.611 4.410 50 0 JIAARN Cc1cc(NC(=O)COc2ccccc2F)n(-c2ncnc3c2cnn3-c2ccc(Cl)cc2)n1 ZINC000023997140 556116037 /nfs/dbraw/zinc/11/60/37/556116037.db2.gz PIIDYXSWXQWHEY-UHFFFAOYSA-N 0 0 477.887 4.120 50 0 JIAARN O=C(CNC(=O)c1cccc(Br)c1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000024031040 556117719 /nfs/dbraw/zinc/11/77/19/556117719.db2.gz WPKRPKBXMPDDLN-UHFFFAOYSA-N 0 0 458.337 4.131 50 0 JIAARN C[C@H](NC(=O)CCNS(=O)(=O)c1cccc(Br)c1)c1cccc2ccccc21 ZINC000024063328 556118235 /nfs/dbraw/zinc/11/82/35/556118235.db2.gz QNPZXYTZCXAJMB-HNNXBMFYSA-N 0 0 461.381 4.148 50 0 JIAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(Cc3ccco3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012879371 556123146 /nfs/dbraw/zinc/12/31/46/556123146.db2.gz CIDBBEOMGJZMEM-LGGPFLRQSA-N 0 0 499.567 4.400 50 0 biogenic JIAARN CN(CCOc1ccccc1Cl)C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000024185668 556125492 /nfs/dbraw/zinc/12/54/92/556125492.db2.gz NIJKHFRONMOEHE-UHFFFAOYSA-N 0 0 488.949 4.021 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2OCc2ccc(F)cc2)s1 ZINC000012910610 556129475 /nfs/dbraw/zinc/12/94/75/556129475.db2.gz QWMNMEIPNFEBPO-UHFFFAOYSA-N 0 0 476.595 4.427 50 0 JIAARN O=S(=O)(Nc1ccccc1-c1nnc2n1CCCCC2)c1ccc(OC(F)(F)F)cc1 ZINC000024346120 556129640 /nfs/dbraw/zinc/12/96/40/556129640.db2.gz XCOXJNQGIDPDSH-UHFFFAOYSA-N 0 0 452.458 4.371 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccnn3Cc3ccccc3)CC2)cc1 ZINC000012911991 556131080 /nfs/dbraw/zinc/13/10/80/556131080.db2.gz OFSRROQCSBTREL-UHFFFAOYSA-N 0 0 466.607 4.094 50 0 JIAARN O=C(c1cc(Br)ccc1Cl)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000024496763 556132462 /nfs/dbraw/zinc/13/24/62/556132462.db2.gz KASYAMNLLXJOKM-UHFFFAOYSA-N 0 0 467.776 4.172 50 0 JIAARN O=c1c2c(-c3ccccc3)csc2ncn1C[C@H](O)COc1cccc(Br)c1 ZINC000012915584 556134656 /nfs/dbraw/zinc/13/46/56/556134656.db2.gz FZWBJGMBPWGQSB-INIZCTEOSA-N 0 0 457.349 4.327 50 0 JIAARN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000024528671 556134925 /nfs/dbraw/zinc/13/49/25/556134925.db2.gz NTADASDITSAIQP-UHFFFAOYSA-N 0 0 469.916 4.414 50 0 JIAARN COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000012916606 556135845 /nfs/dbraw/zinc/13/58/45/556135845.db2.gz RHFZQWFOKGVVFE-UHFFFAOYSA-N 0 0 456.589 4.275 50 0 JIAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012917719 556136744 /nfs/dbraw/zinc/13/67/44/556136744.db2.gz HZHAJEGVRUPLRL-UHFFFAOYSA-N 0 0 466.893 4.025 50 0 JIAARN Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3CCCCCC(N)=O)no2)cc1 ZINC000012918616 556137664 /nfs/dbraw/zinc/13/76/64/556137664.db2.gz FJNRNCRKYJYLGK-UHFFFAOYSA-N 0 0 463.563 4.093 50 0 JIAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000024601247 556137792 /nfs/dbraw/zinc/13/77/92/556137792.db2.gz MTHZDJQAKMYSJU-UHFFFAOYSA-N 0 0 474.531 4.324 50 0 JIAARN CC(C)Oc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000024610724 556140708 /nfs/dbraw/zinc/14/07/08/556140708.db2.gz JXNFFZVFRXWIKJ-UHFFFAOYSA-N 0 0 450.988 4.308 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012922441 556141132 /nfs/dbraw/zinc/14/11/32/556141132.db2.gz ZINLHAYRVNFEML-IBGZPJMESA-N 0 0 495.576 4.426 50 0 JIAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCSCc3ccccc3Cl)CC2)c1 ZINC000024611941 556141484 /nfs/dbraw/zinc/14/14/84/556141484.db2.gz LAQLDYXAEKXIAN-UHFFFAOYSA-N 0 0 481.083 4.240 50 0 JIAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCSCc3ccc(Cl)cc3)CC2)c1 ZINC000024611949 556141523 /nfs/dbraw/zinc/14/15/23/556141523.db2.gz UXJORLXCBXCIFR-UHFFFAOYSA-N 0 0 481.083 4.240 50 0 JIAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000012923539 556141934 /nfs/dbraw/zinc/14/19/34/556141934.db2.gz UDKGLUWZUYXHOU-UHFFFAOYSA-N 0 0 487.796 4.203 50 0 JIAARN COC(=O)c1cccc(Oc2nc(F)c(Cl)c3c2N(C2CCCCC2)CCS3(=O)=O)c1 ZINC000024614253 556142300 /nfs/dbraw/zinc/14/23/00/556142300.db2.gz OOGYQROYYVNMFF-UHFFFAOYSA-N 0 0 468.934 4.379 50 0 JIAARN CCCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C1=C([n+]2cc(C)cc(C)c2)C(=O)N(CC(C)C)C1=O ZINC000016571156 556143732 /nfs/dbraw/zinc/14/37/32/556143732.db2.gz OUMCLKNHFBLZGD-UHFFFAOYSA-O 0 0 494.015 4.481 50 0 JIAARN Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C1=C([n+]2cc(C)cc(C)c2)C(=O)N(Cc2ccccc2)C1=O ZINC000016571172 556144012 /nfs/dbraw/zinc/14/40/12/556144012.db2.gz ICECXCABABUQDW-UHFFFAOYSA-O 0 0 499.978 4.381 50 0 JIAARN COc1ccc(N(Cc2ccccc2)C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000012926486 556144555 /nfs/dbraw/zinc/14/45/55/556144555.db2.gz CWZBAUFHJKTCRC-UHFFFAOYSA-N 0 0 494.613 4.338 50 0 JIAARN Cc1csc(=O)n1CC(=O)OCc1cc(Br)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000012926504 556144630 /nfs/dbraw/zinc/14/46/30/556144630.db2.gz DXUXOTULFFCBSY-FQEVSTJZSA-N 0 0 476.348 4.332 50 0 JIAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCOCC1)c2NC(=O)CCc1ccc(N(C)C)cc1 ZINC000024706216 556146268 /nfs/dbraw/zinc/14/62/68/556146268.db2.gz DYHUYXXATUCBCG-UHFFFAOYSA-N 0 0 466.607 4.023 50 0 JIAARN CCN1C(=S)N[C@H](c2cccc(NC(=O)Nc3ccccc3F)c2)C(C(=O)OCCOC)=C1C ZINC000016611117 556147434 /nfs/dbraw/zinc/14/74/34/556147434.db2.gz OWQCYYCNXMCQAQ-OAQYLSRUSA-N 0 0 486.569 4.184 50 0 JIAARN O=C(CSc1nnc(-c2cccnc2)n1C1CC1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000012930605 556147646 /nfs/dbraw/zinc/14/76/46/556147646.db2.gz VATXVNNOQABLNF-UHFFFAOYSA-N 0 0 484.585 4.336 50 0 JIAARN Cc1ccc(N(Cc2ccccc2)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 ZINC000024746473 556147969 /nfs/dbraw/zinc/14/79/69/556147969.db2.gz PJPFLWBOTLXYHD-UHFFFAOYSA-N 0 0 468.550 4.002 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3ccccc3n2CCC(C)C)cc1S(=O)(=O)N(C)C ZINC000024755700 556150241 /nfs/dbraw/zinc/15/02/41/556150241.db2.gz LNSOLWHDRPWIFD-UHFFFAOYSA-N 0 0 490.651 4.072 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)Cc1csc(Nc2ccc(C)cc2)n1 ZINC000024757354 556150676 /nfs/dbraw/zinc/15/06/76/556150676.db2.gz JPRUGWAQJAPYDX-HXUWFJFHSA-N 0 0 459.641 4.000 50 0 JIAARN CC(C)(CNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)N1CCOCC1 ZINC000024757970 556150959 /nfs/dbraw/zinc/15/09/59/556150959.db2.gz BJZQNLKCDUCTBB-UHFFFAOYSA-N 0 0 450.608 4.063 50 0 JIAARN CCOC(=O)c1ccc(-n2ccnc2)c(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)c1 ZINC000024762767 556152119 /nfs/dbraw/zinc/15/21/19/556152119.db2.gz ORYNNWCNFSKXTH-RTUAHOQCSA-N 0 0 492.620 4.345 50 0 JIAARN Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000024773078 556153920 /nfs/dbraw/zinc/15/39/20/556153920.db2.gz ICQCGBSESXWQJA-UHFFFAOYSA-N 0 0 468.550 4.002 50 0 JIAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3nc4c(ccc5ccccc45)s3)cc(C3CC3)nc21 ZINC000024775189 556154487 /nfs/dbraw/zinc/15/44/87/556154487.db2.gz OOBUBAWUNPQAJZ-UHFFFAOYSA-N 0 0 471.542 4.387 50 0 JIAARN COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cc(Br)ccc1OC ZINC000016750497 556156771 /nfs/dbraw/zinc/15/67/71/556156771.db2.gz IODOPMCLOIVBGK-NRFANRHFSA-N 0 0 472.339 4.135 50 0 JIAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000012948173 556158573 /nfs/dbraw/zinc/15/85/73/556158573.db2.gz PLTUUIJQOPWPIL-UIOOFZCWSA-N 0 0 496.563 4.264 50 0 JIAARN O=S(=O)(c1ccccc1)N(C[C@H](O)COc1cc(Cl)ccc1Cl)c1nccs1 ZINC000024843941 556160868 /nfs/dbraw/zinc/16/08/68/556160868.db2.gz JIHVDGPJNIKRDR-AWEZNQCLSA-N 0 0 459.376 4.085 50 0 JIAARN Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1N(C)c1ncc(C(F)(F)F)cc1Cl ZINC000012955631 556161616 /nfs/dbraw/zinc/16/16/16/556161616.db2.gz GPQBSGDWGOIFAR-UHFFFAOYSA-N 0 0 487.191 4.376 50 0 JIAARN COc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Br)cc5)no4)ccn3n2)cc1 ZINC000016841990 556163620 /nfs/dbraw/zinc/16/36/20/556163620.db2.gz AAAHFCCUAKFIKB-UHFFFAOYSA-N 0 0 478.306 4.032 50 0 JIAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2CC(=O)Nc1ccc2c(c1)OCO2 ZINC000016842125 556163840 /nfs/dbraw/zinc/16/38/40/556163840.db2.gz VKCDLHDLDIIYPV-UHFFFAOYSA-N 0 0 466.497 4.075 50 0 JIAARN COc1cccc(CNC(=O)Cn2c3ccc(C)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1OC ZINC000016842127 556163892 /nfs/dbraw/zinc/16/38/92/556163892.db2.gz KIKXCMWSRJNLFO-UHFFFAOYSA-N 0 0 496.567 4.042 50 0 JIAARN CC1=C(C(=O)N(C)C)[C@@H](c2cccc(Br)c2)NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000024928216 556164086 /nfs/dbraw/zinc/16/40/86/556164086.db2.gz HAZOQGIHPZXUIX-HXUWFJFHSA-N 0 0 488.407 4.018 50 0 JIAARN Cc1cc(=O)c(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)nn1-c1ccccc1C(F)(F)F ZINC000024928329 556164423 /nfs/dbraw/zinc/16/44/23/556164423.db2.gz WKHUBSSQKVELCR-LJQANCHMSA-N 0 0 478.902 4.246 50 0 JIAARN COc1ccc(-c2noc(-c3ccc(CS(=O)(=O)Cc4cccc(C)c4)o3)n2)cc1OC ZINC000016843733 556165616 /nfs/dbraw/zinc/16/56/16/556165616.db2.gz MRQJDEQBLRFDQO-UHFFFAOYSA-N 0 0 454.504 4.437 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2nc3c(-c4ccc(C)cc4)csc3c(=O)n2C)cc1 ZINC000016846118 556167869 /nfs/dbraw/zinc/16/78/69/556167869.db2.gz CZTDYZOGSSESKV-UHFFFAOYSA-N 0 0 479.583 4.488 50 0 JIAARN CCc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000016846346 556168478 /nfs/dbraw/zinc/16/84/78/556168478.db2.gz BQKQMCWBXUWONW-UHFFFAOYSA-N 0 0 455.605 4.074 50 0 JIAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000012976180 556168777 /nfs/dbraw/zinc/16/87/77/556168777.db2.gz XTLXSMBFZGHDOM-HNNXBMFYSA-N 0 0 498.432 4.125 50 0 JIAARN CC(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccccc1 ZINC000012977130 556169896 /nfs/dbraw/zinc/16/98/96/556169896.db2.gz SWUHFBMLCYFGFB-QHCPKHFHSA-N 0 0 486.634 4.152 50 0 JIAARN C[C@H]1CCc2c(sc3[nH]c(SCc4nc(N)nc(Nc5ccc(F)cc5)n4)nc(=O)c23)C1 ZINC000024988137 556170399 /nfs/dbraw/zinc/17/03/99/556170399.db2.gz GEOCERQZLDHZAF-JTQLQIEISA-N 0 0 469.571 4.052 50 0 JIAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc1 ZINC000025000288 556171934 /nfs/dbraw/zinc/17/19/34/556171934.db2.gz KOUCQJUDOWJOGF-UHFFFAOYSA-N 0 0 480.590 4.158 50 0 JIAARN COc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1OC ZINC000016891249 556172520 /nfs/dbraw/zinc/17/25/20/556172520.db2.gz SPOOUHHTHPEABK-CLOONOSVSA-N 0 0 465.619 4.447 50 0 JIAARN C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(Br)cc1 ZINC000012979752 556172709 /nfs/dbraw/zinc/17/27/09/556172709.db2.gz BPGOXCGHJIEWKM-GFCCVEGCSA-N 0 0 470.352 4.403 50 0 JIAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000025047585 556173817 /nfs/dbraw/zinc/17/38/17/556173817.db2.gz ZKRWZLMMCZPKFZ-UHFFFAOYSA-N 0 0 474.560 4.222 50 0 JIAARN COc1ccccc1OC[C@H](O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000016902820 556174408 /nfs/dbraw/zinc/17/44/08/556174408.db2.gz JSKYVVYVVDLZGE-GHTZIAJQSA-N 0 0 475.520 4.144 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N[C@H]3CCSc4ccccc43)ccc2Cl)C[C@H](C)O1 ZINC000012981560 556174594 /nfs/dbraw/zinc/17/45/94/556174594.db2.gz BKPHMNOZQRZLKQ-KHYOSLBOSA-N 0 0 481.039 4.105 50 0 JIAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000012981582 556174823 /nfs/dbraw/zinc/17/48/23/556174823.db2.gz RCAFCWNEUUDXNM-UHFFFAOYSA-N 0 0 479.606 4.147 50 0 JIAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3C[C@@H](O)COc3ccccc3C)CC2=O)c1 ZINC000016903399 556176330 /nfs/dbraw/zinc/17/63/30/556176330.db2.gz SCGQUHJNIRLFDZ-IFMALSPDSA-N 0 0 471.557 4.314 50 0 JIAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000025062034 556177726 /nfs/dbraw/zinc/17/77/26/556177726.db2.gz AOKYZDVIOKMLNB-IDISGSTGSA-N 0 0 485.565 4.096 50 0 JIAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1ccc(OC(F)F)cc1)C2=O ZINC000012985514 556179037 /nfs/dbraw/zinc/17/90/37/556179037.db2.gz NPDDKSKOJBQUAZ-UHFFFAOYSA-N 0 0 465.541 4.163 50 0 JIAARN Cc1sc2nc(COC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)[nH]c(=O)c2c1C ZINC000012985732 556179275 /nfs/dbraw/zinc/17/92/75/556179275.db2.gz HTEXANPPPSFTNL-LJQANCHMSA-N 0 0 460.511 4.413 50 0 JIAARN Cc1ccc(NC(=O)CSc2nc3ccc(Br)cc3c(=O)n2C[C@H](C)O)cc1Cl ZINC000012987088 556181211 /nfs/dbraw/zinc/18/12/11/556181211.db2.gz MARPIVMHVNJEDW-LBPRGKRZSA-N 0 0 496.814 4.232 50 0 JIAARN COCCn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016942872 556181258 /nfs/dbraw/zinc/18/12/58/556181258.db2.gz XLXNIULEJJYDKY-UHFFFAOYSA-N 0 0 476.480 4.274 50 0 JIAARN COc1cccc(CN(C)C(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1OC ZINC000012987174 556181460 /nfs/dbraw/zinc/18/14/60/556181460.db2.gz HCCNDZYUBTUXJR-UHFFFAOYSA-N 0 0 482.602 4.256 50 0 JIAARN COc1ccc(-c2nc(SCC(=O)Nc3ccccc3C(=O)NCc3ccccc3)n[nH]2)cc1 ZINC000012987790 556182209 /nfs/dbraw/zinc/18/22/09/556182209.db2.gz CITKYUNXSIGOFG-UHFFFAOYSA-N 0 0 473.558 4.141 50 0 JIAARN Cc1cccc(-c2ccnc3nc(N4CCN(C(=O)c5ccccc5C(F)(F)F)CC4)nn32)c1 ZINC000025145144 556183845 /nfs/dbraw/zinc/18/38/45/556183845.db2.gz LZMSGPXHBZXIEG-UHFFFAOYSA-N 0 0 466.467 4.081 50 0 JIAARN COc1ccc(Cn2cnc3c4ccccc4n(CC(=O)Nc4cc(OC)cc(OC)c4)c3c2=O)cc1 ZINC000016953793 556184788 /nfs/dbraw/zinc/18/47/88/556184788.db2.gz NBQGLYOHQCMPNJ-UHFFFAOYSA-N 0 0 498.539 4.064 50 0 JIAARN COc1ccc(-c2cc3c(SCC(=O)Nc4ccc(OC)c(OC)c4)nccn3n2)cc1 ZINC000016954690 556186049 /nfs/dbraw/zinc/18/60/49/556186049.db2.gz KFSVSPGNGOKXHN-UHFFFAOYSA-N 0 0 450.520 4.153 50 0 JIAARN COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4cc(Cl)ccc4Cl)n3n2)cc1 ZINC000016954889 556186300 /nfs/dbraw/zinc/18/63/00/556186300.db2.gz HZQACYKBEDVNRW-UHFFFAOYSA-N 0 0 483.402 4.294 50 0 JIAARN Cc1cc(I)ccc1NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000012995052 556187390 /nfs/dbraw/zinc/18/73/90/556187390.db2.gz PLIREQGIUPILKS-INIZCTEOSA-N 0 0 470.376 4.281 50 0 JIAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000012995320 556187831 /nfs/dbraw/zinc/18/78/31/556187831.db2.gz IHMCDQVJZBUFTD-MRXNPFEDSA-N 0 0 452.979 4.017 50 0 JIAARN COc1ccc(CN2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000016957239 556188232 /nfs/dbraw/zinc/18/82/32/556188232.db2.gz JQPYOIPTIXYVIR-XMMPIXPASA-N 0 0 473.529 4.378 50 0 JIAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccc(OCc3ccccc3)cc2)c1 ZINC000016957542 556188530 /nfs/dbraw/zinc/18/85/30/556188530.db2.gz GMUOLUAYLAGSRA-VWLOTQADSA-N 0 0 498.543 4.197 50 0 JIAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cnn(C)c3Cl)c2)n(-c2ccccc2F)n1 ZINC000025149635 556189723 /nfs/dbraw/zinc/18/97/23/556189723.db2.gz BFTJKDUYVPNEJJ-UHFFFAOYSA-N 0 0 467.888 4.494 50 0 JIAARN COc1ccc(-c2cc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)ccc2OC(F)F)cc1 ZINC000012998465 556190983 /nfs/dbraw/zinc/19/09/83/556190983.db2.gz ILGBSPQCVMPVEN-UHFFFAOYSA-N 0 0 451.429 4.381 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3Cl)c12 ZINC000012999224 556191933 /nfs/dbraw/zinc/19/19/33/556191933.db2.gz ZYYAFSWQVAKALZ-CQSZACIVSA-N 0 0 462.934 4.022 50 0 JIAARN COc1ccccc1CCNC(=O)c1cn(Cc2ccc(F)cc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000016973197 556192645 /nfs/dbraw/zinc/19/26/45/556192645.db2.gz MEBJTBILYHLJPA-UHFFFAOYSA-N 0 0 496.542 4.307 50 0 JIAARN COc1ccccc1CNC(=O)c1cn(Cc2ccc(F)cc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000016973268 556192654 /nfs/dbraw/zinc/19/26/54/556192654.db2.gz GANZCYZQNGWWOQ-UHFFFAOYSA-N 0 0 482.515 4.265 50 0 JIAARN COc1ccccc1NC(=O)Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21 ZINC000016973724 556192784 /nfs/dbraw/zinc/19/27/84/556192784.db2.gz DQEVBORVKNMPBL-UHFFFAOYSA-N 0 0 452.507 4.402 50 0 JIAARN COc1ccccc1NC(=O)Cn1cc(S(=O)(=O)Cc2ccccc2F)c2ccccc21 ZINC000016973729 556192894 /nfs/dbraw/zinc/19/28/94/556192894.db2.gz JEPHQPYSODRYQZ-UHFFFAOYSA-N 0 0 452.507 4.402 50 0 JIAARN O=S(=O)(c1ccc(F)cc1F)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000025152447 556193442 /nfs/dbraw/zinc/19/34/42/556193442.db2.gz BVUWKLVHHFZWDR-UHFFFAOYSA-N 0 0 466.513 4.086 50 0 JIAARN CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCCCc2ccccc2)s1 ZINC000016975329 556193555 /nfs/dbraw/zinc/19/35/55/556193555.db2.gz KGBRAIOAKAQFCZ-UHFFFAOYSA-N 0 0 471.025 4.078 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cc3C)c12 ZINC000013002694 556195571 /nfs/dbraw/zinc/19/55/71/556195571.db2.gz XAXAEJOMGBBVMQ-INIZCTEOSA-N 0 0 458.971 4.191 50 0 JIAARN COc1ccccc1OCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1C ZINC000013003489 556195922 /nfs/dbraw/zinc/19/59/22/556195922.db2.gz FOCNHQKUSSGCRK-UHFFFAOYSA-N 0 0 489.597 4.298 50 0 JIAARN CCOC(=O)c1sc2nc(C)n(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)c(=O)c2c1C ZINC000013006013 556197779 /nfs/dbraw/zinc/19/77/79/556197779.db2.gz UGSMBOUPFKBDIG-HXUWFJFHSA-N 0 0 478.570 4.358 50 0 JIAARN Cc1cc(O)c([C@@H](c2ccncc2)N2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccccc1 ZINC000016993679 556197866 /nfs/dbraw/zinc/19/78/66/556197866.db2.gz DQLITAVFYMZPFO-MUUNZHRXSA-N 0 0 466.585 4.217 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccc(O)cc4)nc4ccccc43)CC2)cc1 ZINC000013006702 556198076 /nfs/dbraw/zinc/19/80/76/556198076.db2.gz BLEHFAHDNBXJBX-UHFFFAOYSA-N 0 0 487.581 4.063 50 0 JIAARN COCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2c3ccccc3[nH]c2c1=O ZINC000016994038 556198393 /nfs/dbraw/zinc/19/83/93/556198393.db2.gz TXCKSMDTIKBHMH-UHFFFAOYSA-N 0 0 450.564 4.180 50 0 JIAARN CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000013007046 556198431 /nfs/dbraw/zinc/19/84/31/556198431.db2.gz XDGJUPPAELWPLO-UHFFFAOYSA-N 0 0 453.347 4.337 50 0 JIAARN Cc1ccc2nc(COc3ccc(C(=O)N[C@@H](c4nccn4C)c4ccccc4)cc3)cn2c1 ZINC000025159834 556199204 /nfs/dbraw/zinc/19/92/04/556199204.db2.gz HUDQBVBTSPRFAR-RUZDIDTESA-N 0 0 451.530 4.475 50 0 JIAARN Cc1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)n1 ZINC000017011716 556201305 /nfs/dbraw/zinc/20/13/05/556201305.db2.gz MRSMZNWPQHQJCN-UHFFFAOYSA-N 0 0 481.850 4.199 50 0 JIAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000013009793 556201367 /nfs/dbraw/zinc/20/13/67/556201367.db2.gz HFAKIEPTWPTABD-UHFFFAOYSA-N 0 0 471.623 4.051 50 0 JIAARN CC(C)Cn1c(CCC(N)=O)nnc1SCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000013009991 556201682 /nfs/dbraw/zinc/20/16/82/556201682.db2.gz RORPSKAVMIYIIT-HSZRJFAPSA-N 0 0 470.570 4.391 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)c(C)c1C ZINC000013010069 556201874 /nfs/dbraw/zinc/20/18/74/556201874.db2.gz DWOPBJCGVCLVKY-UHFFFAOYSA-N 0 0 464.551 4.141 50 0 JIAARN COc1ccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2cccc(Cl)c2)cc1OC ZINC000017011893 556202053 /nfs/dbraw/zinc/20/20/53/556202053.db2.gz KEUNMKQWFZDGOL-UHFFFAOYSA-N 0 0 489.923 4.233 50 0 JIAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000013011846 556203896 /nfs/dbraw/zinc/20/38/96/556203896.db2.gz HBRMCIRLZQJXJP-UHFFFAOYSA-N 0 0 450.882 4.348 50 0 JIAARN Cc1cc(NC(=O)COc2ccc(F)cc2)n(-c2ncnc3c2cnn3-c2ccc(C)cc2C)n1 ZINC000017026079 556205442 /nfs/dbraw/zinc/20/54/42/556205442.db2.gz WOLKMJUKQFLOPN-UHFFFAOYSA-N 0 0 471.496 4.083 50 0 JIAARN COCCOc1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)ccc1OC ZINC000025223171 556205500 /nfs/dbraw/zinc/20/55/00/556205500.db2.gz DGRHVVXRKXLCHF-UHFFFAOYSA-N 0 0 492.500 4.052 50 0 JIAARN COc1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000013015378 556206734 /nfs/dbraw/zinc/20/67/34/556206734.db2.gz JLIUEIONWRIMEM-UHFFFAOYSA-N 0 0 452.532 4.046 50 0 JIAARN Cn1c(SCCCN2C(=O)c3cccc4cccc(c43)C2=O)nnc1-c1ccc2c(c1)OCO2 ZINC000017043125 556209750 /nfs/dbraw/zinc/20/97/50/556209750.db2.gz OZDYUSAMBLOCCN-UHFFFAOYSA-N 0 0 472.526 4.142 50 0 JIAARN COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1OC ZINC000013017906 556209981 /nfs/dbraw/zinc/20/99/81/556209981.db2.gz YTWBRBKTZVEFOE-UHFFFAOYSA-N 0 0 460.939 4.339 50 0 JIAARN COc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000017050707 556211315 /nfs/dbraw/zinc/21/13/15/556211315.db2.gz SCNYJSWVEMLSKD-UHFFFAOYSA-N 0 0 450.560 4.326 50 0 JIAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)c1C ZINC000013022339 556212174 /nfs/dbraw/zinc/21/21/74/556212174.db2.gz IMYBAGSIGDZDMX-UHFFFAOYSA-N 0 0 481.618 4.041 50 0 JIAARN O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1ccc(N2CCCCC2)cc1 ZINC000025391085 556212209 /nfs/dbraw/zinc/21/22/09/556212209.db2.gz DDWJPJPAJZFEPE-UHFFFAOYSA-N 0 0 493.585 4.273 50 0 JIAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc12 ZINC000025461267 556216991 /nfs/dbraw/zinc/21/69/91/556216991.db2.gz IKPJTPLLLHKJLM-UHFFFAOYSA-N 0 0 474.586 4.141 50 0 JIAARN C[C@H](CCc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000017116050 556218920 /nfs/dbraw/zinc/21/89/20/556218920.db2.gz UHMIHFZIYCPEHS-MRXNPFEDSA-N 0 0 470.422 4.031 50 0 JIAARN COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cccc(C)c3C)s2)cc1OC ZINC000017135617 556222259 /nfs/dbraw/zinc/22/22/59/556222259.db2.gz JOWNOZZIUHUAKJ-UHFFFAOYSA-N 0 0 453.564 4.050 50 0 JIAARN COc1cccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2cccc(C)c2C)c1 ZINC000017135761 556223255 /nfs/dbraw/zinc/22/32/55/556223255.db2.gz RBDGSPMVDJREKQ-UHFFFAOYSA-N 0 0 453.506 4.187 50 0 JIAARN Cc1ccccc1-c1nc2scc(CCNC(=O)C(=O)Nc3cccc(Cl)c3C)n2n1 ZINC000017136116 556223787 /nfs/dbraw/zinc/22/37/87/556223787.db2.gz XEZWDFCHYIXPOB-UHFFFAOYSA-N 0 0 453.955 4.025 50 0 JIAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)cc2)cc1 ZINC000013029959 556224515 /nfs/dbraw/zinc/22/45/15/556224515.db2.gz YVXKEHGRZCHDCG-SFHVURJKSA-N 0 0 461.493 4.468 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000013030281 556225309 /nfs/dbraw/zinc/22/53/09/556225309.db2.gz KFPJCQCPPQMNDM-AWEZNQCLSA-N 0 0 452.780 4.159 50 0 JIAARN CCNC(=O)c1cccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000025638216 556228417 /nfs/dbraw/zinc/22/84/17/556228417.db2.gz KUNZRCBDQPDKQR-UHFFFAOYSA-N 0 0 454.880 4.359 50 0 JIAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 ZINC000013031969 556230013 /nfs/dbraw/zinc/23/00/13/556230013.db2.gz RIDJQHGXBCDOIC-MAUKXSAKSA-N 0 0 469.994 4.299 50 0 JIAARN Cc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000013037733 556232787 /nfs/dbraw/zinc/23/27/87/556232787.db2.gz HUMRTFVRBXZAQW-OAQYLSRUSA-N 0 0 450.988 4.048 50 0 JIAARN O=C(c1cccnc1Sc1ccccc1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000013037763 556232863 /nfs/dbraw/zinc/23/28/63/556232863.db2.gz WLNGYPMQUACHQV-GOSISDBHSA-N 0 0 472.570 4.291 50 0 JIAARN CCN(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)C1CCCCC1 ZINC000013038040 556234479 /nfs/dbraw/zinc/23/44/79/556234479.db2.gz CAZAMVQYCJXSJF-UHFFFAOYSA-N 0 0 468.937 4.479 50 0 JIAARN Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1C ZINC000013038080 556234627 /nfs/dbraw/zinc/23/46/27/556234627.db2.gz DDYWNQQHLXPZKS-GOSISDBHSA-N 0 0 492.542 4.056 50 0 JIAARN O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 ZINC000017190342 556236232 /nfs/dbraw/zinc/23/62/32/556236232.db2.gz NVJKAAADNAUBRB-DEOSSOPVSA-N 0 0 493.991 4.127 50 0 JIAARN O=C(c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCc2ccccc2C1 ZINC000017190061 556236244 /nfs/dbraw/zinc/23/62/44/556236244.db2.gz ZMPACRHKVWBMDY-UHFFFAOYSA-N 0 0 460.537 4.386 50 0 JIAARN Cn1c2ccccc2c(C(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1-c1ccccc1 ZINC000013038688 556237382 /nfs/dbraw/zinc/23/73/82/556237382.db2.gz FTEPBJCJXSOROF-PMACEKPBSA-N 0 0 472.541 4.137 50 0 JIAARN CCCCn1nc(C(=O)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)c2ccccc2c1=O ZINC000026001606 556239851 /nfs/dbraw/zinc/23/98/51/556239851.db2.gz TVFZNUMCCHMENM-UHFFFAOYSA-N 0 0 477.561 4.152 50 0 JIAARN COc1ccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3-c3ccccc3)[C@H]2c2ccc(C)cc2)cc1OC ZINC000013039360 556240078 /nfs/dbraw/zinc/24/00/78/556240078.db2.gz NFLPDHUGPHCXIU-FTJBHMTQSA-N 0 0 496.567 4.389 50 0 JIAARN Cc1nc2cc(F)ccc2cc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C ZINC000026045876 556240186 /nfs/dbraw/zinc/24/01/86/556240186.db2.gz ZCPJTHXVDIKYNM-UHFFFAOYSA-N 0 0 470.570 4.175 50 0 JIAARN CC(=O)NCc1ccc(C(=O)CSc2nccn2-c2ccc(Br)cc2)s1 ZINC000026046980 556240243 /nfs/dbraw/zinc/24/02/43/556240243.db2.gz OGMJRMXYGQAJCZ-UHFFFAOYSA-N 0 0 450.383 4.307 50 0 JIAARN O=C(NCc1ccccc1CN1CCOCC1)C1(c2ccc(Br)cc2)CCCC1 ZINC000026079454 556240553 /nfs/dbraw/zinc/24/05/53/556240553.db2.gz NKYIHODCNLHKJR-UHFFFAOYSA-N 0 0 457.412 4.410 50 0 JIAARN Cc1c(=O)c2cccc(C(=O)NCc3ccc(S(=O)(=O)N(C)C)s3)c2oc1-c1ccccc1 ZINC000026056163 556240596 /nfs/dbraw/zinc/24/05/96/556240596.db2.gz USKXSSOLFCKLRA-UHFFFAOYSA-N 0 0 482.583 4.010 50 0 JIAARN COc1cccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000013039749 556241368 /nfs/dbraw/zinc/24/13/68/556241368.db2.gz YWIDGBAJPKJFAN-QZTJIDSGSA-N 0 0 470.591 4.087 50 0 JIAARN COc1cc(OC)cc(-c2nc3n(n2)[C@H](c2cccnc2)C(C(=O)Nc2ccccc2OC)=C(C)N3)c1 ZINC000017243466 556244424 /nfs/dbraw/zinc/24/44/24/556244424.db2.gz ZTUSLGAGPOWMQM-XMMPIXPASA-N 0 0 498.543 4.294 50 0 JIAARN COc1cc(OC)cc(-c2nc3n(n2)[C@H](c2ccccc2OC)C(C(=O)Nc2cccnc2)=C(C)N3)c1 ZINC000017243451 556244436 /nfs/dbraw/zinc/24/44/36/556244436.db2.gz SZUBSNLQRJZUGX-XMMPIXPASA-N 0 0 498.543 4.294 50 0 JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccncc3)nn2[C@H]1c1ccc(OC)c(OC)c1 ZINC000017243895 556245354 /nfs/dbraw/zinc/24/53/54/556245354.db2.gz BZAIXORXPYROCB-DEOSSOPVSA-N 0 0 498.543 4.294 50 0 JIAARN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N(C)Cc3cccc(Cl)c3)c2c1C ZINC000013040953 556245422 /nfs/dbraw/zinc/24/54/22/556245422.db2.gz MBPNKKVKPOAIJJ-UHFFFAOYSA-N 0 0 475.014 4.298 50 0 JIAARN COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)n2)cc1 ZINC000017245462 556245944 /nfs/dbraw/zinc/24/59/44/556245944.db2.gz KVOFZJBMERZXMU-MRXNPFEDSA-N 0 0 471.604 4.492 50 0 JIAARN CCCCOc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(Nc4ccccc4)n3)CC2)cc1 ZINC000017270965 556249454 /nfs/dbraw/zinc/24/94/54/556249454.db2.gz KMBGGUMIWPZWEF-UHFFFAOYSA-N 0 0 481.622 4.218 50 0 JIAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccccc2OC)s1 ZINC000017287161 556250869 /nfs/dbraw/zinc/25/08/69/556250869.db2.gz BXTWHWVKUOZZKC-UHFFFAOYSA-N 0 0 480.633 4.089 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cccc3Br)s2)cc1 ZINC000017287995 556251186 /nfs/dbraw/zinc/25/11/86/556251186.db2.gz HVTSXKYEPQDQIA-UHFFFAOYSA-N 0 0 468.398 4.342 50 0 JIAARN Cc1ccc([C@@](O)(CCNC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)C(F)(F)F)o1 ZINC000026288741 556251409 /nfs/dbraw/zinc/25/14/09/556251409.db2.gz WKQNXIGJWMDOPL-SZNDQCEHSA-N 0 0 453.461 4.137 50 0 JIAARN O=C(NCc1ccc(CN2CCOCC2)cc1)C1(c2ccc(Br)cc2)CCCC1 ZINC000026303537 556251739 /nfs/dbraw/zinc/25/17/39/556251739.db2.gz IVBUYOKZKJKBDP-UHFFFAOYSA-N 0 0 457.412 4.410 50 0 JIAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Oc1ccc(OCc3ccccc3)cc1)C2=O ZINC000013057849 556252937 /nfs/dbraw/zinc/25/29/37/556252937.db2.gz LMUMCWYBWFZZRA-QYBDOPJKSA-N 0 0 450.535 4.308 50 0 JIAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CCCCC2 ZINC000017297543 556253109 /nfs/dbraw/zinc/25/31/09/556253109.db2.gz VFBVLYZFGRVKFY-UHFFFAOYSA-N 0 0 476.620 4.231 50 0 JIAARN CCOC(=O)c1c(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)sc2c1CCCC2 ZINC000013057887 556253211 /nfs/dbraw/zinc/25/32/11/556253211.db2.gz XELVLGVCRHUURC-UHFFFAOYSA-N 0 0 462.877 4.276 50 0 JIAARN Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 ZINC000013058387 556253928 /nfs/dbraw/zinc/25/39/28/556253928.db2.gz AUGZMNUEOYCHDO-RUZDIDTESA-N 0 0 481.593 4.129 50 0 JIAARN Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 ZINC000013058384 556253967 /nfs/dbraw/zinc/25/39/67/556253967.db2.gz AUGZMNUEOYCHDO-VWLOTQADSA-N 0 0 481.593 4.129 50 0 JIAARN COc1ccc(CCn2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCCc5sccc54)C3=O)c2C)cc1 ZINC000013058595 556254227 /nfs/dbraw/zinc/25/42/27/556254227.db2.gz YOYCYMSIYOOKJA-HHHXNRCGSA-N 0 0 491.613 4.384 50 0 JIAARN COc1cccc(NC(=O)CSc2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccnn2C(C)C)c1 ZINC000013060034 556255870 /nfs/dbraw/zinc/25/58/70/556255870.db2.gz PQSSDUWYDAOERN-QGZVFWFLSA-N 0 0 496.589 4.387 50 0 JIAARN CCOc1ccc(OCC(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2cccc(C)c2C)cc1 ZINC000017308067 556255896 /nfs/dbraw/zinc/25/58/96/556255896.db2.gz DKDGFHGWXXQELI-UHFFFAOYSA-N 0 0 497.559 4.343 50 0 JIAARN CCOc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)cc1 ZINC000017308105 556255931 /nfs/dbraw/zinc/25/59/31/556255931.db2.gz KBVJYHOSZDUMMV-UHFFFAOYSA-N 0 0 462.984 4.031 50 0 JIAARN CCC(CC)c1nnc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)s1 ZINC000026565556 556257062 /nfs/dbraw/zinc/25/70/62/556257062.db2.gz VHRMIDPGOPXXEJ-GJZGRUSLSA-N 0 0 480.656 4.369 50 0 JIAARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000013061987 556257135 /nfs/dbraw/zinc/25/71/35/556257135.db2.gz QTNRFOMXPMTLSE-KDURUIRLSA-N 0 0 464.562 4.139 50 0 JIAARN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000013061993 556257171 /nfs/dbraw/zinc/25/71/71/556257171.db2.gz QTNRFOMXPMTLSE-OALUTQOASA-N 0 0 464.562 4.139 50 0 JIAARN CCOc1ccc(C(=O)N2CCN(c3nc(C)cc(Nc4ccccc4)n3)CC2)cc1OCC ZINC000017315442 556257355 /nfs/dbraw/zinc/25/73/55/556257355.db2.gz WXLUHFOJNYLTBC-UHFFFAOYSA-N 0 0 461.566 4.288 50 0 JIAARN CCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2c1 ZINC000017315745 556257722 /nfs/dbraw/zinc/25/77/22/556257722.db2.gz HNFNYEFPWRQPQJ-UHFFFAOYSA-N 0 0 459.593 4.368 50 0 JIAARN O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)sc2nc(-c3cccs3)nn12 ZINC000026841956 556264412 /nfs/dbraw/zinc/26/44/12/556264412.db2.gz DGWMGCHCKGLNIY-ZHZULCJRSA-N 0 0 453.552 4.280 50 0 JIAARN CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)nc1C ZINC000013069670 556266435 /nfs/dbraw/zinc/26/64/35/556266435.db2.gz QISLCOCJOJHJGH-UHFFFAOYSA-N 0 0 493.994 4.359 50 0 JIAARN Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccncc3)c2)c1 ZINC000017792324 556266901 /nfs/dbraw/zinc/26/69/01/556266901.db2.gz CXIWVKIFVBQEGS-OAHLLOKOSA-N 0 0 474.380 4.444 50 0 JIAARN COc1cc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)ccc1OCCC(C)C ZINC000027022133 556271376 /nfs/dbraw/zinc/27/13/76/556271376.db2.gz OPRJNONZXCAUOC-ZZMFGPCGSA-N 0 0 453.589 4.364 50 0 JIAARN S=c1n(CN2CCN(c3ncccn3)CC2)nc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000013072870 556271759 /nfs/dbraw/zinc/27/17/59/556271759.db2.gz BQTJIAGCULSBIB-UHFFFAOYSA-N 0 0 463.998 4.293 50 0 JIAARN S=c1n(CN2CCN(c3ncccn3)CC2)nc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000013072867 556271850 /nfs/dbraw/zinc/27/18/50/556271850.db2.gz GNNOLUOASFLFEX-UHFFFAOYSA-N 0 0 463.998 4.293 50 0 JIAARN COc1ccccc1C(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1 ZINC000027025262 556272153 /nfs/dbraw/zinc/27/21/53/556272153.db2.gz IRZRAOWFVWYPCQ-FQEVSTJZSA-N 0 0 494.345 4.454 50 0 JIAARN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Br)cc4)c3)C(=O)[C@H]2C1 ZINC000017986995 556274222 /nfs/dbraw/zinc/27/42/22/556274222.db2.gz ATOMMCWASRSZKO-PMACEKPBSA-N 0 0 482.330 4.335 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1 ZINC000013074933 556276061 /nfs/dbraw/zinc/27/60/61/556276061.db2.gz BGLFLOURIMSMTH-KRWDZBQOSA-N 0 0 486.981 4.295 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCN(c2ccccc2C)CC1 ZINC000013075211 556276493 /nfs/dbraw/zinc/27/64/93/556276493.db2.gz SDUHOQWHJVMGAA-UHFFFAOYSA-N 0 0 467.566 4.206 50 0 JIAARN 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JIAARN O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000013109572 556308859 /nfs/dbraw/zinc/30/88/59/556308859.db2.gz NLVXERPXXXBZPG-UHFFFAOYSA-N 0 0 464.996 4.127 50 0 JIAARN Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000013110057 556310812 /nfs/dbraw/zinc/31/08/12/556310812.db2.gz XFNSBHHJBCXGGO-MRXNPFEDSA-N 0 0 476.649 4.094 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1 ZINC000027990582 556311726 /nfs/dbraw/zinc/31/17/26/556311726.db2.gz KBMSDFDKGLCPIL-UHFFFAOYSA-N 0 0 453.545 4.476 50 0 JIAARN O=C(Cc1csc(NC(=O)c2cccs2)n1)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000018215939 556311860 /nfs/dbraw/zinc/31/18/60/556311860.db2.gz NMWBCDYCUHITGT-UHFFFAOYSA-N 0 0 489.932 4.295 50 0 JIAARN O=S(=O)(c1cccc(CSc2nnc(-c3ccco3)n2C2CCCCC2)c1)N1CCOCC1 ZINC000013112417 556313421 /nfs/dbraw/zinc/31/34/21/556313421.db2.gz VAAWGROHOWAYOP-UHFFFAOYSA-N 0 0 488.635 4.357 50 0 JIAARN COc1ccc(-c2csc(NC(=O)Cn3cc(C(F)(F)F)cc(Cl)c3=O)n2)cc1OC ZINC000013112463 556313796 /nfs/dbraw/zinc/31/37/96/556313796.db2.gz RKKDMEBIDPOMQH-UHFFFAOYSA-N 0 0 473.860 4.300 50 0 JIAARN COc1ccc(Sc2cc3c(cc2NC(=O)Cc2cccc(OC)c2)n(C)c(=O)n3C)cc1 ZINC000028049338 556314294 /nfs/dbraw/zinc/31/42/94/556314294.db2.gz AADIMICZKWICKQ-UHFFFAOYSA-N 0 0 463.559 4.227 50 0 JIAARN O=C(CN1C(=O)COc2ccccc21)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000013112731 556315048 /nfs/dbraw/zinc/31/50/48/556315048.db2.gz GGCVPWGRAJFNOZ-LJQANCHMSA-N 0 0 459.933 4.495 50 0 JIAARN COC(=O)c1ccc([C@H]2Oc3ccccc3C3=Nc4nnnn4[C@H](c4ccc(C)cc4)C32)cc1 ZINC000028054593 556315209 /nfs/dbraw/zinc/31/52/09/556315209.db2.gz XKPUIJRIKWCPBD-DNQXCXABSA-N 0 0 451.486 4.328 50 0 JIAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000013114242 556318506 /nfs/dbraw/zinc/31/85/06/556318506.db2.gz VYYLKKMTLMNLGP-UHFFFAOYSA-N 0 0 453.542 4.474 50 0 JIAARN O=c1[nH]c(CSc2nnc3n2CCCCC3)nc2c(Br)cc(Br)cc12 ZINC000013114840 556321075 /nfs/dbraw/zinc/32/10/75/556321075.db2.gz PLSMUILJYOXLPG-UHFFFAOYSA-N 0 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CC(C)CCn1c(=O)c2ccccc2nc1SCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000019018645 556326986 /nfs/dbraw/zinc/32/69/86/556326986.db2.gz YWEBWWFOZLPMGP-UHFFFAOYSA-N 0 0 468.598 4.023 50 0 JIAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000013117562 556327889 /nfs/dbraw/zinc/32/78/89/556327889.db2.gz ZGTAQZSYQPYGKM-UHFFFAOYSA-N 0 0 492.576 4.418 50 0 JIAARN COc1ccc(-c2csc(NC(=O)CSc3nnnn3-c3ccc(C)cc3C)n2)c(OC)c1 ZINC000013117887 556329772 /nfs/dbraw/zinc/32/97/72/556329772.db2.gz ZHYDTFVLDRADIE-UHFFFAOYSA-N 0 0 482.591 4.151 50 0 JIAARN CCCn1c(CCC(=O)N[C@H](C)c2ccccc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000013120941 556335151 /nfs/dbraw/zinc/33/51/51/556335151.db2.gz ZMPLIPJEDGGRBO-LJQANCHMSA-N 0 0 468.623 4.041 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000028629663 556337819 /nfs/dbraw/zinc/33/78/19/556337819.db2.gz WKMXYIKYILIQNF-FGGAIWKESA-N 0 0 496.679 4.242 50 0 JIAARN Cc1c(CNC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)cnn1C 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COC(=O)c1ccccc1NC(=O)N[C@H](Cc1ccc(OC)cc1)Cc1ccc2c(c1)OCO2 ZINC000032948727 556564538 /nfs/dbraw/zinc/56/45/38/556564538.db2.gz DADSGSZGMWTHNF-LJQANCHMSA-N 0 0 462.502 4.186 50 0 JIAARN COc1cc(NC(=O)NC(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)cc(OC)c1 ZINC000032949169 556565147 /nfs/dbraw/zinc/56/51/47/556565147.db2.gz AYTFUPWWMKCQCN-UHFFFAOYSA-N 0 0 478.501 4.137 50 0 JIAARN O=C(NCCc1ccccc1Cl)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000032949537 556565521 /nfs/dbraw/zinc/56/55/21/556565521.db2.gz VBKTVFOKGYFTIS-LJQANCHMSA-N 0 0 485.831 4.005 50 0 JIAARN O=C(NCCCc1ccccc1)c1ccc(Nc2nn3c(nc4ccccc4c3=O)s2)cc1 ZINC000032951187 556566692 /nfs/dbraw/zinc/56/66/92/556566692.db2.gz AYQWEKUOTYYKEA-UHFFFAOYSA-N 0 0 455.543 4.410 50 0 JIAARN CCOC(=O)C[C@@H](NC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1)c1ccccc1 ZINC000032953889 556569009 /nfs/dbraw/zinc/56/90/09/556569009.db2.gz VSEVCFRKBBALTC-HSZRJFAPSA-N 0 0 462.550 4.196 50 0 JIAARN O=C(CSC1=Nc2ccccc2[C@H]2CC=NN12)Nc1ccc(I)cc1 ZINC000032957665 556570926 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458.967 4.212 50 0 JIAARN CCc1ccc(NC(=O)Cn2c3c4cc(OC)ccc4n(C)c3c(=O)n(-c3ccccc3C)c2=O)cc1 ZINC000008592130 562943149 /nfs/dbraw/zinc/94/31/49/562943149.db2.gz RWRZVYYHXHQQKU-UHFFFAOYSA-N 0 0 496.567 4.162 50 0 JIAARN COc1ccc(NC(=O)[C@H](C)n2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1Cl ZINC000008593723 562943460 /nfs/dbraw/zinc/94/34/60/562943460.db2.gz PDGHOIJKYLRLHD-HNNXBMFYSA-N 0 0 451.914 4.061 50 0 JIAARN COc1cc(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)c3c2c2ccccc2n3C)cc(OC)c1OC ZINC000008595724 562944099 /nfs/dbraw/zinc/94/40/99/562944099.db2.gz IRCWPWSYVIKCQV-UHFFFAOYSA-N 0 0 498.539 4.464 50 0 JIAARN Cc1cc(C)cc(N2C(=O)CS[C@@]23c2ccccc2N(CC(=O)Nc2ccc(F)cc2F)C3=O)c1 ZINC000008595718 562944150 /nfs/dbraw/zinc/94/41/50/562944150.db2.gz HVQCLRYQQWEJIV-AREMUKBSSA-N 0 0 493.535 4.500 50 0 JIAARN C=C1C(N2CCC(C(=O)Nc3cccc(F)c3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000008603266 562945902 /nfs/dbraw/zinc/94/59/02/562945902.db2.gz KSTYQYHYKPQMBX-UHFFFAOYSA-N 0 0 455.555 4.266 50 0 JIAARN C=C1C(N2CCC(C(=O)NCc3ccccc3C)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000008603280 562945906 /nfs/dbraw/zinc/94/59/06/562945906.db2.gz LESPNVNABOKZRY-UHFFFAOYSA-N 0 0 465.619 4.113 50 0 JIAARN COc1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCCC4)nn3)c2C)cc1Cl ZINC000008605554 562946660 /nfs/dbraw/zinc/94/66/60/562946660.db2.gz YTPWIDATABLRSE-UHFFFAOYSA-N 0 0 454.962 4.113 50 0 JIAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C)cc4C)CC3)c2)no1 ZINC000008607542 562946993 /nfs/dbraw/zinc/94/69/93/562946993.db2.gz HWHHRKJDNVJCBU-UHFFFAOYSA-N 0 0 468.579 4.010 50 0 JIAARN O=S(=O)(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccc(Br)cc1 ZINC000008610170 562947508 /nfs/dbraw/zinc/94/75/08/562947508.db2.gz FEQLJKHKFMMAOC-UHFFFAOYSA-N 0 0 459.369 4.307 50 0 aggregator JIAARN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)C2)c1 ZINC000008610762 562947599 /nfs/dbraw/zinc/94/75/99/562947599.db2.gz JGMXXLQUMYIFHF-JOCHJYFZSA-N 0 0 481.556 4.357 50 0 JIAARN Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2ccco2)cc1C ZINC000008614092 562948054 /nfs/dbraw/zinc/94/80/54/562948054.db2.gz PPESQLLOOICBEA-UHFFFAOYSA-N 0 0 480.546 4.142 50 0 JIAARN COC(=O)c1sccc1NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000008654405 562948609 /nfs/dbraw/zinc/94/86/09/562948609.db2.gz NQYFFUKRJBUNHA-UHFFFAOYSA-N 0 0 480.564 4.205 50 0 JIAARN CCCCn1c2nc(-c3ccc(-c4ccccc4Br)o3)n(CC)c2c(=O)[nH]c1=O ZINC000008666099 562948725 /nfs/dbraw/zinc/94/87/25/562948725.db2.gz ZTDQLHZPCSQBJA-UHFFFAOYSA-N 0 0 457.328 4.396 50 0 JIAARN O=C(NCc1ccco1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc1 ZINC000008670596 562949180 /nfs/dbraw/zinc/94/91/80/562949180.db2.gz ZRFQJYCHSMIZDK-UHFFFAOYSA-N 0 0 499.954 4.436 50 0 aggregator JIAARN O=C1c2ccccc2[C@H](Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1c1ccccn1 ZINC000008671961 562949746 /nfs/dbraw/zinc/94/97/46/562949746.db2.gz GXDUOTNAHXTHLZ-XMMPIXPASA-N 0 0 462.575 4.417 50 0 JIAARN Cc1ccc(C)c(NC(=O)CSc2ncc3c(n2)-c2ccc(Cl)cc2N(C)S3(=O)=O)c1 ZINC000008673336 562950131 /nfs/dbraw/zinc/95/01/31/562950131.db2.gz MSTSCNSEWYJJEW-UHFFFAOYSA-N 0 0 474.995 4.283 50 0 JIAARN COc1cccc(NC(=O)Cn2c3c4ccccc4sc3c(=O)n(-c3cccc(OC)c3)c2=O)c1 ZINC000008681689 562951250 /nfs/dbraw/zinc/95/12/50/562951250.db2.gz GDKVXHBBBHCFII-UHFFFAOYSA-N 0 0 487.537 4.023 50 0 JIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCc2cccs2)cc1 ZINC000008682828 562951605 /nfs/dbraw/zinc/95/16/05/562951605.db2.gz JKUBZRSZNJTAAA-QFIPXVFZSA-N 0 0 479.558 4.174 50 0 JIAARN CCc1ccc(C(=O)COC(=O)[C@@H](CCSC)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008683158 562951725 /nfs/dbraw/zinc/95/17/25/562951725.db2.gz OCLZKYIGYFIDKF-ZVUJHCQASA-N 0 0 457.636 4.429 50 0 JIAARN COc1cccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2ccccc2)c1OC ZINC000008684751 562952260 /nfs/dbraw/zinc/95/22/60/562952260.db2.gz NYOOGWYADCDYTN-JOCHJYFZSA-N 0 0 479.558 4.067 50 0 JIAARN COc1ccc(CC(=O)OCC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000008691207 562953967 /nfs/dbraw/zinc/95/39/67/562953967.db2.gz NNBNNZJVSASLML-RUZDIDTESA-N 0 0 458.514 4.167 50 0 JIAARN Cc1sc2nc(COC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)[nH]c(=O)c2c1C ZINC000008692326 562954254 /nfs/dbraw/zinc/95/42/54/562954254.db2.gz ZQZPJDLBOQFIKL-KRWDZBQOSA-N 0 0 482.389 4.406 50 0 JIAARN O=C(NCCc1ccncc1)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000012129760 562959302 /nfs/dbraw/zinc/95/93/02/562959302.db2.gz LNECLFNZCXINOM-UHFFFAOYSA-N 0 0 450.546 4.063 50 0 JIAARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000008384218 569589278 /nfs/dbraw/zinc/58/92/78/569589278.db2.gz PUQWCQRHWMEMBT-UHFFFAOYSA-N 0 0 483.322 4.323 50 0 JIAARN Nc1nc(CN2CCN(c3ccccc3F)CC2)nc(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000054147105 569589364 /nfs/dbraw/zinc/58/93/64/569589364.db2.gz VZPPITFOBIQXPD-UHFFFAOYSA-N 0 0 471.540 4.451 50 0 JIAARN CCOC(=O)CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccc(OC)cc1)C3 ZINC000054278216 569589613 /nfs/dbraw/zinc/58/96/13/569589613.db2.gz NRRVOIJHTBYACH-UHFFFAOYSA-N 0 0 451.519 4.266 50 0 JIAARN C[C@H](C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2)N1C(=O)c2ccccc2C1=O ZINC000008433301 569589632 /nfs/dbraw/zinc/58/96/32/569589632.db2.gz OPIPATXDKPOTDT-MRXNPFEDSA-N 0 0 487.581 4.180 50 0 JIAARN CCCN(CCC)C(=O)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(C)C ZINC000008440932 569590176 /nfs/dbraw/zinc/59/01/76/569590176.db2.gz ALEYJSGKQYGQPA-QHCPKHFHSA-N 0 0 453.583 4.351 50 0 JIAARN CCOc1cc(CN(C)Cc2nnc(SCCCO)n2-c2cccc(Cl)c2)ccc1O ZINC000055042575 569590530 /nfs/dbraw/zinc/59/05/30/569590530.db2.gz QRKVFIOXTSHALU-UHFFFAOYSA-N 0 0 463.003 4.132 50 0 JIAARN Cc1cnc(-n2ncc(C(=O)N3CCN(C(C)C)CC3)c2C(C)C)nc1-c1ccc(F)cc1 ZINC000055324826 569591648 /nfs/dbraw/zinc/59/16/48/569591648.db2.gz KEFSCDJEBNGFOM-UHFFFAOYSA-N 0 0 450.562 4.066 50 0 JIAARN O=C(CSc1nnc(CCc2nc3ccccc3s2)o1)N1CCN(c2ccccc2F)CC1 ZINC000056903057 569592396 /nfs/dbraw/zinc/59/23/96/569592396.db2.gz OMBWMNZJUIXONF-UHFFFAOYSA-N 0 0 483.594 4.045 50 0 JIAARN COc1ccc(Br)c(C(=O)N2CCN(c3c(C)nn(-c4ccccc4)c3C)CC2)c1 ZINC000056907901 569592450 /nfs/dbraw/zinc/59/24/50/569592450.db2.gz RURKAVSQKUXQDG-UHFFFAOYSA-N 0 0 469.383 4.223 50 0 JIAARN O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1 ZINC000056945737 569592935 /nfs/dbraw/zinc/59/29/35/569592935.db2.gz XLRHMEXTLMCTAX-QFIPXVFZSA-N 0 0 457.933 4.131 50 0 JIAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000057050815 569594129 /nfs/dbraw/zinc/59/41/29/569594129.db2.gz XZJPOUAOIOMTJU-UHFFFAOYSA-N 0 0 461.349 4.022 50 0 JIAARN CC(=O)Nc1ccccc1OCC(=O)Nc1c(Br)cc(C)cc1Br ZINC000008706061 569594322 /nfs/dbraw/zinc/59/43/22/569594322.db2.gz CZGLKVGWISSBNA-UHFFFAOYSA-N 0 0 456.134 4.496 50 0 JIAARN Cc1cc(C)n(CCCNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)n1 ZINC000008710383 569595809 /nfs/dbraw/zinc/59/58/09/569595809.db2.gz NANGUYHPIXZCJK-UHFFFAOYSA-N 0 0 482.013 4.095 50 0 JIAARN O=C(C1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1)N1CCCCCC1 ZINC000057312636 569596302 /nfs/dbraw/zinc/59/63/02/569596302.db2.gz AZXSJFQRYSSJGX-UHFFFAOYSA-N 0 0 450.608 4.266 50 0 JIAARN Cc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(C(C)C)cc2)c2cccnc2)cc1 ZINC000008718013 569596954 /nfs/dbraw/zinc/59/69/54/569596954.db2.gz ODFZXIXIHQZGSU-HSZRJFAPSA-N 0 0 458.605 4.007 50 0 JIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000008718502 569597094 /nfs/dbraw/zinc/59/70/94/569597094.db2.gz AHFKKVZAOWXRNV-DEOSSOPVSA-N 0 0 487.556 4.494 50 0 JIAARN C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1)c1cccs1 ZINC000008719546 569597596 /nfs/dbraw/zinc/59/75/96/569597596.db2.gz STKBBFUNUWFGHL-OAHLLOKOSA-N 0 0 458.561 4.201 50 0 JIAARN CCOC(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(OCC)cc1 ZINC000008720409 569598078 /nfs/dbraw/zinc/59/80/78/569598078.db2.gz OILCSOBRWOBRQT-UHFFFAOYSA-N 0 0 465.535 4.179 50 0 JIAARN CCOc1ccc(-c2nnc(SCC(=O)NC(c3ccccc3)c3ccccc3)n2N)cc1 ZINC000008724014 569599617 /nfs/dbraw/zinc/59/96/17/569599617.db2.gz NIBCFBWKUBUMMQ-UHFFFAOYSA-N 0 0 459.575 4.056 50 0 JIAARN COc1ccc(-n2ccnc2SCC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000008725623 569600300 /nfs/dbraw/zinc/60/03/00/569600300.db2.gz JYOHQQBGEOIDNZ-UHFFFAOYSA-N 0 0 461.591 4.151 50 0 JIAARN O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)Nc1ncc(Cl)cc1Cl ZINC000008725871 569600355 /nfs/dbraw/zinc/60/03/55/569600355.db2.gz SOVBKNQDFSKOOD-UHFFFAOYSA-N 0 0 463.394 4.296 50 0 JIAARN O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000008725898 569600600 /nfs/dbraw/zinc/60/06/00/569600600.db2.gz JXYJIINDWYSWRS-UHFFFAOYSA-N 0 0 480.575 4.359 50 0 JIAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000008734406 569601751 /nfs/dbraw/zinc/60/17/51/569601751.db2.gz FCGPTRIPRWQGPM-FQEVSTJZSA-N 0 0 486.597 4.284 50 0 JIAARN O=C(CSC(c1ccccc1)c1ccccc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000032966777 569603276 /nfs/dbraw/zinc/60/32/76/569603276.db2.gz CEVPNZYVEWCGDY-NRFANRHFSA-N 0 0 455.601 4.318 50 0 JIAARN CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)cc1C ZINC000032971025 569603449 /nfs/dbraw/zinc/60/34/49/569603449.db2.gz VJRUYMMPNNZIMM-OAHLLOKOSA-N 0 0 450.582 4.049 50 0 JIAARN CC(C)Oc1ccc(CNC(=O)CC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000032974065 569605250 /nfs/dbraw/zinc/60/52/50/569605250.db2.gz IYFGFKGEOQREQT-UHFFFAOYSA-N 0 0 465.015 4.234 50 0 JIAARN COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(C)cc1Cl ZINC000032975731 569606256 /nfs/dbraw/zinc/60/62/56/569606256.db2.gz YYHDFAZCGFWOLP-IRXDYDNUSA-N 0 0 476.982 4.133 50 0 JIAARN COCCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1ccc(OC)cc1 ZINC000032977742 569606462 /nfs/dbraw/zinc/60/64/62/569606462.db2.gz UGFMPKMSBKZGFK-RUZDIDTESA-N 0 0 471.561 4.241 50 0 JIAARN O=C(c1cc(-c2ccncc2)nc2ccccc21)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000032983197 569606730 /nfs/dbraw/zinc/60/67/30/569606730.db2.gz NIYOUXDDHBWAJD-HXUWFJFHSA-N 0 0 491.551 4.355 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)/C(=C/c2cccc(Cl)c2)O3)C1 ZINC000032983976 569607255 /nfs/dbraw/zinc/60/72/55/569607255.db2.gz ARQUAXNFIXXKGH-CTPANLQCSA-N 0 0 454.910 4.127 50 0 JIAARN Brc1cc(I)c(Br)cc1I ZINC000059641010 569607354 /nfs/dbraw/zinc/60/73/54/569607354.db2.gz IVKPEQAIHJWGGT-UHFFFAOYSA-N 0 0 487.698 4.421 50 0 JIAARN CCOc1ccc([C@H](CNC(=O)[C@H](C(C)C)N2CCCC2=O)c2c[nH]c3ccccc32)cc1OC ZINC000060298092 569608631 /nfs/dbraw/zinc/60/86/31/569608631.db2.gz HENXIDVHBGVCMK-IDISGSTGSA-N 0 0 477.605 4.470 50 0 JIAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCCCN3CCOCC3)cc21 ZINC000032986573 569608930 /nfs/dbraw/zinc/60/89/30/569608930.db2.gz KXBHXZGLPXIBHV-UHFFFAOYSA-N 0 0 453.970 4.406 50 0 JIAARN O=C(CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)N1CCN(c2ccccc2)CC1 ZINC000032995184 569610112 /nfs/dbraw/zinc/61/01/12/569610112.db2.gz RXPAIAJECRTJMS-UHFFFAOYSA-N 0 0 469.998 4.115 50 0 JIAARN Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)c4ccc(C)c(C)c4)nc3)CC2)c(C)c1 ZINC000062006690 569610322 /nfs/dbraw/zinc/61/03/22/569610322.db2.gz WFIVPONZSOZDGS-UHFFFAOYSA-N 0 0 463.603 4.110 50 0 JIAARN COc1ccc(-c2nn3c(nc(CNC(=O)Nc4ccc(C)cc4Cl)cc3=O)s2)cc1 ZINC000032996087 569610446 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50 0 JIAARN COc1cc(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)cc(OC)c1Br ZINC000062621102 569613473 /nfs/dbraw/zinc/61/34/73/569613473.db2.gz ZRINBACNPKXXNP-UHFFFAOYSA-N 0 0 476.396 4.475 50 0 JIAARN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000062628297 569613720 /nfs/dbraw/zinc/61/37/20/569613720.db2.gz ROBBXYFEMVRVPX-QHCPKHFHSA-N 0 0 478.549 4.491 50 0 JIAARN COc1ccc(NC(=O)Cn2nc(SC)c(-c3nc(-c4ccc(C)cc4)no3)c2NC(C)=O)cc1 ZINC000062728210 569614574 /nfs/dbraw/zinc/61/45/74/569614574.db2.gz OQOWKZGJWCGWLF-UHFFFAOYSA-N 0 0 492.561 4.236 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1OC ZINC000033007645 569615580 /nfs/dbraw/zinc/61/55/80/569615580.db2.gz ZRURWTMUCRWYLF-UHFFFAOYSA-N 0 0 469.544 4.367 50 0 JIAARN CCOc1cc(CNC(=O)c2cc(=O)n3c4ccccc4nc3s2)cc(OCC)c1OCC ZINC000033008683 569615940 /nfs/dbraw/zinc/61/59/40/569615940.db2.gz KUNIEZLSORLSDU-UHFFFAOYSA-N 0 0 467.547 4.035 50 0 JIAARN COc1cccc(Cn2c(C)c(C[NH2+]CCCN3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2C)c1 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COc1cccc(CNC(=O)COC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)c1 ZINC000033014029 569617761 /nfs/dbraw/zinc/61/77/61/569617761.db2.gz KQTWPKYZHQLUMS-UHFFFAOYSA-N 0 0 493.560 4.184 50 0 JIAARN COc1ccc(N(Cc2nc3nc(C)c(Cl)c(C)n3n2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033014247 569618008 /nfs/dbraw/zinc/61/80/08/569618008.db2.gz HMYVKLQIUSHVIG-UHFFFAOYSA-N 0 0 471.970 4.107 50 0 JIAARN COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000064558029 569618473 /nfs/dbraw/zinc/61/84/73/569618473.db2.gz JEOAUFDGEMHUKX-QFIPXVFZSA-N 0 0 477.538 4.109 50 0 JIAARN CCc1ccc(-n2c(CN3CCN(C(=O)NCc4cccc(F)c4)CC3)nc3cccnc32)cc1 ZINC000064567800 569619919 /nfs/dbraw/zinc/61/99/19/569619919.db2.gz XFKVPKVOZPWPBQ-UHFFFAOYSA-N 0 0 472.568 4.149 50 0 JIAARN CCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccccc4Cl)ccc3n2CC)CC1 ZINC000064579544 569620413 /nfs/dbraw/zinc/62/04/13/569620413.db2.gz UGPNFTGRYDRKPV-UHFFFAOYSA-N 0 0 453.974 4.016 50 0 JIAARN Cn1c2cc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)c(SC3CCCCC3)cc2n(C)c1=O 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Cc1ccc(C)c(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCC(C)CC5)c4c3)CC2)c1 ZINC000064612222 569623430 /nfs/dbraw/zinc/62/34/30/569623430.db2.gz DUNXANOOSFOGNX-UHFFFAOYSA-N 0 0 494.661 4.392 50 0 JIAARN CCN(CC)C(=O)c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc12 ZINC000064612318 569623506 /nfs/dbraw/zinc/62/35/06/569623506.db2.gz ILBJGSCNELRTJS-UHFFFAOYSA-N 0 0 475.014 4.038 50 0 JIAARN CCc1ccccc1S(=O)(=O)N1CCC(c2ccn3ncc(C(=O)N4CCC(C)CC4)c3c2)CC1 ZINC000064612245 569623529 /nfs/dbraw/zinc/62/35/29/569623529.db2.gz WZFMDHRNRKDVKL-UHFFFAOYSA-N 0 0 494.661 4.337 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3nc(-c4ccccc4)nn3c(=O)c(Cc3ccccc3)c2C)cc1 ZINC000033324735 569623551 /nfs/dbraw/zinc/62/35/51/569623551.db2.gz PSVHBNIZXTVHNJ-UHFFFAOYSA-N 0 0 463.541 4.404 50 0 JIAARN CCOc1ccccc1NC(=O)Cn1c2nc(-c3ccccc3)nn2c(=O)c(Cc2ccccc2)c1C ZINC000033324737 569623594 /nfs/dbraw/zinc/62/35/94/569623594.db2.gz CFOZACYKQINTEB-UHFFFAOYSA-N 0 0 493.567 4.495 50 0 JIAARN CCN(CC)c1ccc(NC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325472 569623715 /nfs/dbraw/zinc/62/37/15/569623715.db2.gz AJOLFXVNUYFTEJ-SFHVURJKSA-N 0 0 458.609 4.070 50 0 JIAARN COc1ccc(CNC(=O)CCCn2c(=O)c3cccn3c3ccc(Br)cc32)c(OC)c1 ZINC000033332061 569624608 /nfs/dbraw/zinc/62/46/08/569624608.db2.gz RBDRKUGMDRTBAP-UHFFFAOYSA-N 0 0 498.377 4.131 50 0 JIAARN COc1ccc(C(=O)N/C(=C\c2cccnc2)C(=O)Nc2cccc(Br)c2)cc1OC ZINC000033342647 569624923 /nfs/dbraw/zinc/62/49/23/569624923.db2.gz PVTXACVGENEILQ-ODLFYWEKSA-N 0 0 482.334 4.271 50 0 JIAARN O=C(Cn1cnc2c3ccc(-c4ccccc4)nc3sc2c1=O)N[C@H]1CCc2ccccc21 ZINC000064746987 569626068 /nfs/dbraw/zinc/62/60/68/569626068.db2.gz VALLLIXQTMENPX-NRFANRHFSA-N 0 0 452.539 4.477 50 0 JIAARN Cc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4cc(F)ccc4F)c3=O)n2)cc1 ZINC000064774960 569627190 /nfs/dbraw/zinc/62/71/90/569627190.db2.gz NAHOMQWTLIRJKV-UHFFFAOYSA-N 0 0 450.445 4.407 50 0 JIAARN COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4ccc(OC)c(Cl)c4)c(=O)[nH]c3C2)cc1 ZINC000064775536 569627583 /nfs/dbraw/zinc/62/75/83/569627583.db2.gz ALDGFODQDHLSAE-AWEZNQCLSA-N 0 0 452.894 4.211 50 0 JIAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCN(C(=O)c4ccco4)CC3)o2)c1 ZINC000064789640 569628536 /nfs/dbraw/zinc/62/85/36/569628536.db2.gz KFPZEWGBVHSDNX-UHFFFAOYSA-N 0 0 477.542 4.038 50 0 JIAARN CC(=O)N(Cc1ccc(C)cc1)c1nc2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O ZINC000064791340 569628832 /nfs/dbraw/zinc/62/88/32/569628832.db2.gz VRYUQULXCQBCKT-UHFFFAOYSA-N 0 0 458.493 4.036 50 0 JIAARN COc1ccc(C)cc1NC(=O)Cn1c2ccccc2nc(N(Cc2ccccc2C)C(C)=O)c1=O ZINC000064791314 569628835 /nfs/dbraw/zinc/62/88/35/569628835.db2.gz LHXUUBWPMOXMKO-UHFFFAOYSA-N 0 0 484.556 4.214 50 0 JIAARN CC(=O)N(Cc1ccc(C)cc1)c1nc2ccccc2n(CC(=O)Nc2ccccc2C)c1=O ZINC000064791356 569628843 /nfs/dbraw/zinc/62/88/43/569628843.db2.gz ODXBRLMHHJGNEN-UHFFFAOYSA-N 0 0 454.530 4.205 50 0 JIAARN COc1ccc(C)cc1NC(=O)Cn1c2ccccc2nc(N(Cc2ccc(F)cc2)C(C)=O)c1=O ZINC000064791438 569628968 /nfs/dbraw/zinc/62/89/68/569628968.db2.gz VYIUJGBQLCFNKT-UHFFFAOYSA-N 0 0 488.519 4.044 50 0 JIAARN COc1cccc(NC(=O)CN2c3nnnn3[C@@H](c3ccccc3)C=C2c2ccc(C)cc2)c1 ZINC000064792754 569629266 /nfs/dbraw/zinc/62/92/66/569629266.db2.gz OUJKOMOVXPIAIH-XMMPIXPASA-N 0 0 452.518 4.079 50 0 JIAARN Cc1ccc(C2=C[C@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)NCc2ccccc2)cc1 ZINC000064793328 569629488 /nfs/dbraw/zinc/62/94/88/569629488.db2.gz DSNSWGJSXDGZLI-RUZDIDTESA-N 0 0 450.546 4.057 50 0 JIAARN COc1ccc(CNC(=O)CN2c3nnnn3[C@H](c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 ZINC000064793643 569629733 /nfs/dbraw/zinc/62/97/33/569629733.db2.gz OXSMQTUMSYYWEM-DEOSSOPVSA-N 0 0 486.963 4.102 50 0 JIAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1 ZINC000064801124 569631404 /nfs/dbraw/zinc/63/14/04/569631404.db2.gz VRFYUADDRPNIHJ-UHFFFAOYSA-N 0 0 453.930 4.280 50 0 JIAARN Cc1cccc(NC(=O)Cc2c(C)n(Cc3ccccc3)c3nc(-c4ccccc4)nn3c2=O)c1 ZINC000064813664 569631985 /nfs/dbraw/zinc/63/19/85/569631985.db2.gz ZKZRTZOTUXDSFM-UHFFFAOYSA-N 0 0 463.541 4.404 50 0 JIAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2nc(-c3cccs3)cc2C(=O)N1c1ccc(F)cc1 ZINC000064815591 569632710 /nfs/dbraw/zinc/63/27/10/569632710.db2.gz QHBMZYJSNTVVSW-VWLOTQADSA-N 0 0 460.534 4.486 50 0 JIAARN COc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000064815685 569632739 /nfs/dbraw/zinc/63/27/39/569632739.db2.gz SGVWISAVXYHXSR-DEOSSOPVSA-N 0 0 450.564 4.098 50 0 JIAARN COc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000064815767 569632816 /nfs/dbraw/zinc/63/28/16/569632816.db2.gz MAIGYVJWDNCZHV-RUZDIDTESA-N 0 0 464.591 4.094 50 0 JIAARN Cc1ccccc1CN1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064816149 569633281 /nfs/dbraw/zinc/63/32/81/569633281.db2.gz IVHSUWCGZDFYON-HHHXNRCGSA-N 0 0 472.520 4.322 50 0 JIAARN CC(=O)Nc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000064816189 569633289 /nfs/dbraw/zinc/63/32/89/569633289.db2.gz BTLGTOTWEVXRDK-MUUNZHRXSA-N 0 0 497.555 4.145 50 0 JIAARN Cc1ccccc1CNC(=O)[C@]1(C)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccccc1C ZINC000064816364 569633473 /nfs/dbraw/zinc/63/34/73/569633473.db2.gz JLLYNEBGWJFKAO-MHZLTWQESA-N 0 0 454.530 4.495 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)Nc3cccc(C(C)=O)c3)n(CCc3ccccc3)c(=O)c21 ZINC000064817091 569634155 /nfs/dbraw/zinc/63/41/55/569634155.db2.gz ISDRWSFRUGLDOD-UHFFFAOYSA-N 0 0 489.601 4.097 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)NCc3ccc(F)cc3)n(Cc3ccc(Cl)cc3)c(=O)c21 ZINC000064817193 569634223 /nfs/dbraw/zinc/63/42/23/569634223.db2.gz NKLXCBOKQGAKIC-UHFFFAOYSA-N 0 0 499.999 4.171 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)Nc3ccc(C)c(F)c3)n(Cc3ccc(C)cc3)c(=O)c21 ZINC000064817137 569634258 /nfs/dbraw/zinc/63/42/58/569634258.db2.gz LDRGAEZCXNBEME-UHFFFAOYSA-N 0 0 479.581 4.456 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)Nc3cccc(Cl)c3C)n(Cc3ccco3)c(=O)c21 ZINC000064817489 569634837 /nfs/dbraw/zinc/63/48/37/569634837.db2.gz KICWAJIGCBWSPN-UHFFFAOYSA-N 0 0 471.970 4.255 50 0 JIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc5c(c4)OCO5)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000033786600 569634980 /nfs/dbraw/zinc/63/49/80/569634980.db2.gz OMCDFHKEKMZSKE-QYOOZWMWSA-N 0 0 478.504 4.122 50 0 JIAARN Cc1ccc(-n2c(=O)c3ccc(C(=O)NC[C@@H](C)c4ccccc4)cc3nc2N2CCOCC2)cc1 ZINC000064819341 569635668 /nfs/dbraw/zinc/63/56/68/569635668.db2.gz GKIHFXRKAHZRQX-OAQYLSRUSA-N 0 0 482.584 4.064 50 0 JIAARN Cc1ccc(-n2c(=O)c3ccc(C(=O)NC[C@H](C)c4ccccc4)cc3nc2N2CCOCC2)cc1 ZINC000064819342 569635693 /nfs/dbraw/zinc/63/56/93/569635693.db2.gz GKIHFXRKAHZRQX-NRFANRHFSA-N 0 0 482.584 4.064 50 0 JIAARN CCOc1cccc(CNC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2ccccc2)c3=O)c1 ZINC000064819476 569635813 /nfs/dbraw/zinc/63/58/13/569635813.db2.gz HVGCOESMFGJVSW-UHFFFAOYSA-N 0 0 468.557 4.315 50 0 JIAARN COc1ccccc1-c1nc(CN2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(C)o1 ZINC000064835651 569636344 /nfs/dbraw/zinc/63/63/44/569636344.db2.gz YRPISWMPSLTPKZ-UHFFFAOYSA-N 0 0 469.607 4.090 50 0 JIAARN CN(CCc1noc(-c2ccc(Cl)cc2)n1)S(=O)(=O)c1ccc(Br)cc1 ZINC000064841620 569637468 /nfs/dbraw/zinc/63/74/68/569637468.db2.gz CPETVAUPNUPKCG-UHFFFAOYSA-N 0 0 456.749 4.016 50 0 JIAARN CC[C@@H](C(=O)Nc1cc(C)ccc1OC)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842782 569637818 /nfs/dbraw/zinc/63/78/18/569637818.db2.gz UXMTVGJASMYGQH-IBGZPJMESA-N 0 0 462.506 4.275 50 0 JIAARN COc1cc(NC(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)cc(OC)c1OC ZINC000064846711 569638761 /nfs/dbraw/zinc/63/87/61/569638761.db2.gz OLFZHYAGESXPHG-UHFFFAOYSA-N 0 0 475.973 4.316 50 0 JIAARN COc1cc(NC(=O)N2CCC(CC(=O)N[C@H](C)c3ccccc3)CC2)cc(OC)c1OC ZINC000064846752 569638773 /nfs/dbraw/zinc/63/87/73/569638773.db2.gz NZZAGOSMODFVPM-QGZVFWFLSA-N 0 0 455.555 4.224 50 0 JIAARN CCOc1ccc(CNC(=O)CC2CCN(C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000064846854 569638876 /nfs/dbraw/zinc/63/88/76/569638876.db2.gz KQIRXNNIDKQMRY-UHFFFAOYSA-N 0 0 485.581 4.062 50 0 JIAARN O=C(CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O)NC1CCCCC1 ZINC000064858549 569639062 /nfs/dbraw/zinc/63/90/62/569639062.db2.gz VACHMGFXQDUKEU-MXGDMWONSA-N 0 0 469.666 4.460 50 0 in-vitro JIAARN COc1cc(-c2nnc(SCC3(c4ccc(Cl)cc4)OCCO3)o2)cc(OC)c1OC ZINC000034081203 569639583 /nfs/dbraw/zinc/63/95/83/569639583.db2.gz SNILRBRJXCLSSI-UHFFFAOYSA-N 0 0 464.927 4.408 50 0 JIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000064866628 569639716 /nfs/dbraw/zinc/63/97/16/569639716.db2.gz DJWZEKITQKPFAS-UHFFFAOYSA-N 0 0 468.453 4.480 50 0 JIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000064866398 569639724 /nfs/dbraw/zinc/63/97/24/569639724.db2.gz NAIJGGDTGDOYGP-UHFFFAOYSA-N 0 0 468.453 4.480 50 0 JIAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc1 ZINC000064866814 569639855 /nfs/dbraw/zinc/63/98/55/569639855.db2.gz KEXJRKZENLDTGC-UHFFFAOYSA-N 0 0 458.536 4.168 50 0 JIAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000064872003 569640485 /nfs/dbraw/zinc/64/04/85/569640485.db2.gz JNKWKGKWIAJWEX-UHFFFAOYSA-N 0 0 458.561 4.175 50 0 JIAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(C(=O)OC)c2)cc1 ZINC000064872178 569640646 /nfs/dbraw/zinc/64/06/46/569640646.db2.gz PLUZOGUCIYXPFC-UHFFFAOYSA-N 0 0 474.560 4.011 50 0 JIAARN Cc1ccc(C)c(CNC(=O)c2ccc(-n3nc(OCc4cccc(F)c4)ccc3=O)cc2)c1 ZINC000064873455 569640972 /nfs/dbraw/zinc/64/09/72/569640972.db2.gz JPDRNOUARZSRKJ-UHFFFAOYSA-N 0 0 457.505 4.497 50 0 JIAARN CCOc1ccc(CCNC(=O)c2ccc(-n3nc(OCc4cccc(F)c4)ccc3=O)cc2)cc1 ZINC000064873483 569641144 /nfs/dbraw/zinc/64/11/44/569641144.db2.gz KJBBAQDVCGSOPL-UHFFFAOYSA-N 0 0 487.531 4.322 50 0 JIAARN CCOc1ccc(CN2CCN(Cc3nc(C(=O)Nc4ccc5c(c4)CCC5)co3)CC2)cc1 ZINC000034678087 569642325 /nfs/dbraw/zinc/64/23/25/569642325.db2.gz AEDCSLAYSUNCDF-UHFFFAOYSA-N 0 0 460.578 4.132 50 0 JIAARN O=C(Nc1cccc(C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)c1)c1ccco1 ZINC000064889480 569642747 /nfs/dbraw/zinc/64/27/47/569642747.db2.gz BMESIQHCJGUMCC-UHFFFAOYSA-N 0 0 483.528 4.422 50 0 JIAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc1 ZINC000034680581 569642956 /nfs/dbraw/zinc/64/29/56/569642956.db2.gz FWRNDZWIYRUDHO-UHFFFAOYSA-N 0 0 485.371 4.368 50 0 JIAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCN(C(=O)c3cccc(F)c3)CC2)nc1 ZINC000034680766 569643127 /nfs/dbraw/zinc/64/31/27/569643127.db2.gz NLCPLGNFQAVOHA-UHFFFAOYSA-N 0 0 482.943 4.244 50 0 JIAARN COc1ccc(C(=O)N2CCCN(c3ccc(NC(=O)Nc4ccc(F)cc4F)cn3)CC2)cc1 ZINC000034681344 569643209 /nfs/dbraw/zinc/64/32/09/569643209.db2.gz MDUMZAVUJMDOHB-UHFFFAOYSA-N 0 0 481.503 4.365 50 0 JIAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1OC ZINC000064892602 569644215 /nfs/dbraw/zinc/64/42/15/569644215.db2.gz QLJYKEJPRDSBHD-HHHXNRCGSA-N 0 0 489.597 4.451 50 0 JIAARN Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)Nc1ccc(Br)cc1F)C2 ZINC000064893868 569644927 /nfs/dbraw/zinc/64/49/27/569644927.db2.gz NKYNVYROBHEOPS-UHFFFAOYSA-N 0 0 472.318 4.164 50 0 JIAARN COc1ccc(N(C2CCN(Cc3ccncc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000034683747 569644659 /nfs/dbraw/zinc/64/46/59/569644659.db2.gz CLGXTKMYWWFECR-UHFFFAOYSA-N 0 0 485.581 4.098 50 0 JIAARN O=S(=O)(c1ccc(Cl)cc1)N(c1ccc2c(c1)OCO2)C1CCN(Cc2ccccn2)CC1 ZINC000034683832 569644683 /nfs/dbraw/zinc/64/46/83/569644683.db2.gz SNLVEFMLOOPNLJ-UHFFFAOYSA-N 0 0 485.993 4.324 50 0 JIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1csc(CN2CCN(c3ccccc3)CC2)n1 ZINC000034685382 569644980 /nfs/dbraw/zinc/64/49/80/569644980.db2.gz AFDMAAUFTROJGJ-UHFFFAOYSA-N 0 0 460.525 4.414 50 0 JIAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000064919382 569645104 /nfs/dbraw/zinc/64/51/04/569645104.db2.gz HJFOHPOZUYWKIX-UHFFFAOYSA-N 0 0 469.520 4.238 50 0 JIAARN O=C(Nc1ccc(F)cc1F)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000064926111 569646658 /nfs/dbraw/zinc/64/66/58/569646658.db2.gz OPPMLKIIKGBAER-UHFFFAOYSA-N 0 0 475.499 4.077 50 0 JIAARN Cc1ccc(Cn2c3ccccc3nc(N3CCN(C(=O)Nc4ccccc4)CC3)c2=O)cc1 ZINC000064926291 569646785 /nfs/dbraw/zinc/64/67/85/569646785.db2.gz ZGLHGSYZWSJVDZ-UHFFFAOYSA-N 0 0 453.546 4.107 50 0 JIAARN COc1cccc(C(=O)Cn2cnc3c2c(=O)n(CC(C)C)c(=O)n3-c2ccc(C(C)C)cc2)c1 ZINC000034693262 569646846 /nfs/dbraw/zinc/64/68/46/569646846.db2.gz RKLFVJGYIDCNSR-UHFFFAOYSA-N 0 0 474.561 4.020 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000064927467 569646968 /nfs/dbraw/zinc/64/69/68/569646968.db2.gz HXOFJDAXAVMSEJ-UHFFFAOYSA-N 0 0 485.357 4.298 50 0 JIAARN O=C(Nc1ccccc1C(F)(F)F)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000064927368 569646979 /nfs/dbraw/zinc/64/69/79/569646979.db2.gz NSAXEYKXQOUHQN-UHFFFAOYSA-N 0 0 460.431 4.246 50 0 JIAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NCc2cccs2)cc1 ZINC000064928203 569647387 /nfs/dbraw/zinc/64/73/87/569647387.db2.gz YSTGTTWWFXSMIV-QHCPKHFHSA-N 0 0 497.642 4.091 50 0 JIAARN CCc1ccc(-n2nc(N3CCC[C@H](C(=O)NCc4ccc(OC(C)C)cc4)C3)ccc2=O)cc1 ZINC000064928361 569647545 /nfs/dbraw/zinc/64/75/45/569647545.db2.gz UOJRTBVDLGOMTL-QHCPKHFHSA-N 0 0 474.605 4.115 50 0 JIAARN CCCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3C)c1)NC(=O)CCC2=O ZINC000065011128 569648209 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/nfs/dbraw/zinc/73/45/46/569734546.db2.gz UHQVXPCRUNRMEV-QHCPKHFHSA-N 0 0 471.960 4.432 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2cc3c(c(OC)c2)OCO3)cc1 ZINC000096116109 569735020 /nfs/dbraw/zinc/73/50/20/569735020.db2.gz GVMWCLOYHHNGHQ-SQJMNOBHSA-N 0 0 487.464 4.071 50 0 biogenic JIAARN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)c(OC)c1 ZINC000096116025 569735074 /nfs/dbraw/zinc/73/50/74/569735074.db2.gz BWZHEZLWTVEFJZ-KRWDZBQOSA-N 0 0 460.438 4.329 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1)C(=O)c1ccco1 ZINC000035948283 569735235 /nfs/dbraw/zinc/73/52/35/569735235.db2.gz CIEWASGRFXJVML-IBGZPJMESA-N 0 0 471.966 4.461 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1sccc1C)C(=O)C1CCCC1 ZINC000035948547 569735526 /nfs/dbraw/zinc/73/55/26/569735526.db2.gz RXCPOWAZBHVYFA-IBGZPJMESA-N 0 0 459.637 4.461 50 0 JIAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cc3cccc4c3n(c2=O)CC4)S1 ZINC000096116948 569735628 /nfs/dbraw/zinc/73/56/28/569735628.db2.gz WOFHKDCQIHBCFI-OXJNMPFZSA-N 0 0 450.564 4.064 50 0 JIAARN CN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc2c(c1)OCO2)C(=O)NC(C)(C)C ZINC000035949042 569735891 /nfs/dbraw/zinc/73/58/91/569735891.db2.gz APEUJURYLMCYCT-IBGZPJMESA-N 0 0 470.957 4.186 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1)C(=O)C1CCCC1 ZINC000035960413 569736346 /nfs/dbraw/zinc/73/63/46/569736346.db2.gz WSBLFVURROVBSH-SANMLTNESA-N 0 0 493.604 4.047 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000035960530 569736494 /nfs/dbraw/zinc/73/64/94/569736494.db2.gz FOJVLAORXOQQFB-XMMPIXPASA-N 0 0 493.510 4.432 50 0 JIAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(Cl)cc1 ZINC000035961188 569736884 /nfs/dbraw/zinc/73/68/84/569736884.db2.gz FVGFYOPJZGEUKR-QFIPXVFZSA-N 0 0 474.964 4.225 50 0 JIAARN C[C@H](CCc1ccccc1)N1C(=O)[C@H](Cc2ccccc2)NC12CCN(C(=O)C1CCC1)CC2 ZINC000096210956 569738118 /nfs/dbraw/zinc/73/81/18/569738118.db2.gz 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ZINC000036002231 569746167 /nfs/dbraw/zinc/74/61/67/569746167.db2.gz VZIBIBRZEOXXRF-UHFFFAOYSA-N 0 0 455.994 4.106 50 0 JIAARN COc1cccc(C(=O)N2CCCN(c3nc(C4CC4)nc4c3cnn4-c3ccc(C)cc3)CC2)c1 ZINC000036002041 569746172 /nfs/dbraw/zinc/74/61/72/569746172.db2.gz XCYMAXNTZOFHHF-UHFFFAOYSA-N 0 0 482.588 4.362 50 0 JIAARN Cc1nc2c(cnn2-c2cccc(Cl)c2)c(N2CCCN(C(=O)c3ccccc3F)CC2)n1 ZINC000036002126 569746196 /nfs/dbraw/zinc/74/61/96/569746196.db2.gz XAMOUWMWAKBITK-UHFFFAOYSA-N 0 0 464.932 4.269 50 0 JIAARN Cc1ccc(C(=O)N2CCCN(c3nc(C)nc4c3cnn4-c3cccc(Cl)c3)CC2)cc1 ZINC000036002124 569746200 /nfs/dbraw/zinc/74/62/00/569746200.db2.gz RTJPFOPVNJSFMS-UHFFFAOYSA-N 0 0 460.969 4.438 50 0 JIAARN CSc1ccc(NC(=O)C2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(C)cc3)C4)CC2)cc1 ZINC000097943820 569746672 /nfs/dbraw/zinc/74/66/72/569746672.db2.gz LMBBYXXKGRVHDW-HSZRJFAPSA-N 0 0 491.617 4.071 50 0 JIAARN CC[C@@H](C(=O)N1CCCN(c2ccc(NC(C)=O)cc2C(=O)N(CC)CC)CC1)c1ccccc1 ZINC000036005873 569747288 /nfs/dbraw/zinc/74/72/88/569747288.db2.gz MDVDLEOFAISDSC-XMMPIXPASA-N 0 0 478.637 4.360 50 0 JIAARN CCC(=O)Nc1ccc(N2CCCN(C(=O)c3ccc(C)cc3)CC2)c(C(=O)N(CC)CC)c1 ZINC000036005813 569747341 /nfs/dbraw/zinc/74/73/41/569747341.db2.gz UZBIQDGTOMACOT-UHFFFAOYSA-N 0 0 464.610 4.178 50 0 JIAARN CCCN(CCC(=O)NCCN1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000036008140 569747901 /nfs/dbraw/zinc/74/79/01/569747901.db2.gz JNEOJFWXEBGDNI-UHFFFAOYSA-N 0 0 482.028 4.005 50 0 JIAARN COc1ccc(C(=O)N(Cc2cc(-c3cc(OC)ccc3OC)on2)C[C@H]2CCCO2)cc1 ZINC000036012543 569748266 /nfs/dbraw/zinc/74/82/66/569748266.db2.gz CVLVELQRAPAZES-OAQYLSRUSA-N 0 0 452.507 4.189 50 0 JIAARN COc1cc(/C=C/C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc(Cl)c1OC ZINC000097985850 569748414 /nfs/dbraw/zinc/74/84/14/569748414.db2.gz QTPGPPPJWBEDKU-ZMYBKAFPSA-N 0 0 472.950 4.223 50 0 JIAARN CC(C)CC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)C(C)C ZINC000036013303 569748504 /nfs/dbraw/zinc/74/85/04/569748504.db2.gz HCEYCPIDQQIZFB-UHFFFAOYSA-N 0 0 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O=C(Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(Br)ccc21)c1ccccc1 ZINC000098212146 569750856 /nfs/dbraw/zinc/75/08/56/569750856.db2.gz AAJOYCINARFXAD-UHFFFAOYSA-N 0 0 482.355 4.480 50 0 JIAARN C[C@@H](c1ccccc1)N1C(=O)[C@@H](C)NC12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027176 569750926 /nfs/dbraw/zinc/75/09/26/569750926.db2.gz QVHNCIOJNIFFIV-CVEARBPZSA-N 0 0 482.433 4.056 50 0 JIAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@H]1CCCO1)C(=O)c1ccccc1C ZINC000036031022 569751921 /nfs/dbraw/zinc/75/19/21/569751921.db2.gz AIBQCBZGCZXFIX-HSZRJFAPSA-N 0 0 481.618 4.007 50 0 JIAARN CC(C)Cn1c(CN(CC2CC2)C(=S)NC(C)C)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036032020 569752121 /nfs/dbraw/zinc/75/21/21/569752121.db2.gz UIEFKWGOSKSAAF-UHFFFAOYSA-N 0 0 462.685 4.008 50 0 JIAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2Cl)n1CCOC)C(=O)c1ccccc1C ZINC000036039946 569752825 /nfs/dbraw/zinc/75/28/25/569752825.db2.gz NQJMWVNHTRWXGH-UHFFFAOYSA-N 0 0 490.025 4.128 50 0 JIAARN CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C(=O)C1CC1 ZINC000036039957 569752938 /nfs/dbraw/zinc/75/29/38/569752938.db2.gz RGCKMFSQGDBLLO-UHFFFAOYSA-N 0 0 483.609 4.439 50 0 JIAARN CC(C)NC(=O)N(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C)C(C)C ZINC000036042862 569754195 /nfs/dbraw/zinc/75/41/95/569754195.db2.gz RVUCYKADXIUTJE-UHFFFAOYSA-N 0 0 455.024 4.420 50 0 JIAARN CC(C)n1c(CN(C(=O)NC(C)(C)C)C2CC2)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000036042844 569754225 /nfs/dbraw/zinc/75/42/25/569754225.db2.gz JPEYIZWIDYJDKI-UHFFFAOYSA-N 0 0 450.580 4.050 50 0 JIAARN CCCNC(=O)[C@H]1CN(C(=O)c2ccc(Cl)cc2Cl)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044235 569755001 /nfs/dbraw/zinc/75/50/01/569755001.db2.gz GURNCAXLUAMGST-MSOLQXFVSA-N 0 0 495.403 4.401 50 0 JIAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000036044974 569755358 /nfs/dbraw/zinc/75/53/58/569755358.db2.gz BHYBITQSFPYWEI-UHFFFAOYSA-N 0 0 452.558 4.877 50 0 JIAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C[C@@H]1CCCO1 ZINC000036048111 569755685 /nfs/dbraw/zinc/75/56/85/569755685.db2.gz RHUUMQPMUKJXMY-DEOSSOPVSA-N 0 0 474.605 5.019 50 0 JIAARN COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)C(C)C)C(C)C)cc1OC ZINC000036049302 569756140 /nfs/dbraw/zinc/75/61/40/569756140.db2.gz SBSUHJGFMCYPJM-UHFFFAOYSA-N 0 0 464.566 4.388 50 0 JIAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(OC)c(OC)c1)C(C)C ZINC000036049306 569756163 /nfs/dbraw/zinc/75/61/63/569756163.db2.gz DIQNVBUJOUVOFD-UHFFFAOYSA-N 0 0 450.539 4.142 50 0 JIAARN COc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(C(=O)NC(C)(C)C)C(C)C)n2)cc1 ZINC000036051479 569756589 /nfs/dbraw/zinc/75/65/89/569756589.db2.gz GKIKWNSUCKSBRE-UHFFFAOYSA-N 0 0 477.609 5.013 50 0 JIAARN COc1cccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1 ZINC000036214226 569757223 /nfs/dbraw/zinc/75/72/23/569757223.db2.gz JFGUIIWGZDSHJS-VWLOTQADSA-N 0 0 492.620 4.059 50 0 JIAARN COc1cc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1 ZINC000036247385 569757777 /nfs/dbraw/zinc/75/77/77/569757777.db2.gz HHRGTWFADRBLFU-UHFFFAOYSA-N 0 0 454.548 4.366 50 0 JIAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCN([C@H](C(=O)N2CCCCC2)C2CCCC2)CC1 ZINC000036250085 569758216 /nfs/dbraw/zinc/75/82/16/569758216.db2.gz NULLQLUCOSRWFV-NRFANRHFSA-N 0 0 452.426 4.323 50 0 JIAARN C[C@@H]1CCCCN1C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000036250336 569758319 /nfs/dbraw/zinc/75/83/19/569758319.db2.gz PFEHJOSZUCNGQX-XMSQKQJNSA-N 0 0 465.560 4.423 50 0 JIAARN Cc1cccc(CNC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3cccc(Br)c3)CC2)c1 ZINC000036255308 569758744 /nfs/dbraw/zinc/75/87/44/569758744.db2.gz BCHYYRBYHRRARH-XMMPIXPASA-N 0 0 498.465 4.391 50 0 JIAARN O=C(Nc1ccc2c(c1)OCO2)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036311936 569759711 /nfs/dbraw/zinc/75/97/11/569759711.db2.gz MPFQCNXDUDLNFI-QHCPKHFHSA-N 0 0 469.969 4.024 50 0 JIAARN CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)c1ccccc1F ZINC000036312199 569760123 /nfs/dbraw/zinc/76/01/23/569760123.db2.gz PJWAUBQEOCNJMI-UHFFFAOYSA-N 0 0 454.521 4.424 50 0 JIAARN COc1ccc(C(=O)N(Cc2c(-c3ccccc3F)noc2N2CCOCC2)C[C@H]2CCCO2)cc1 ZINC000036313293 569760763 /nfs/dbraw/zinc/76/07/63/569760763.db2.gz HZEQMVZYCVMNHP-OAQYLSRUSA-N 0 0 495.551 4.147 50 0 JIAARN O=C(CS[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000100497318 569762474 /nfs/dbraw/zinc/76/24/74/569762474.db2.gz GXJVNVXNAJAFFT-OAHLLOKOSA-N 0 0 453.745 4.106 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@H](c3ccc(C)cc3)C2)c1 ZINC000036340926 569764189 /nfs/dbraw/zinc/76/41/89/569764189.db2.gz NLMSDAKMORMKBW-LJAQVGFWSA-N 0 0 482.628 4.499 50 0 JIAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(OC)cc2)CC1 ZINC000036341182 569764343 /nfs/dbraw/zinc/76/43/43/569764343.db2.gz RURZFKOEPGUPEZ-DEOSSOPVSA-N 0 0 483.996 4.301 50 0 JIAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000036341124 569764416 /nfs/dbraw/zinc/76/44/16/569764416.db2.gz MIRBXXLTGILJHX-DEOSSOPVSA-N 0 0 483.996 4.301 50 0 JIAARN O=C(CN1CCN(c2ccccc2F)CC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1 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CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 ZINC000009114395 194534051 /nfs/dbraw/zinc/53/40/51/194534051.db2.gz AHNVWTAZFXMDFF-UHFFFAOYSA-N 0 0 486.390 4.328 50 0 JIAARN Cc1cccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2ccc(Cl)cc2Cl)c4=O)c1 ZINC000009160640 194576555 /nfs/dbraw/zinc/57/65/55/194576555.db2.gz HOIFOZWVLZRLPK-UHFFFAOYSA-N 0 0 470.360 4.102 50 0 JIAARN COc1ccc(Nc2ccccc2NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 ZINC000009126256 194551661 /nfs/dbraw/zinc/55/16/61/194551661.db2.gz GNGJCUCJDYHGNP-AREMUKBSSA-N 0 0 458.518 4.153 50 0 JIAARN COc1cc(SC)ccc1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000009126419 194551971 /nfs/dbraw/zinc/55/19/71/194551971.db2.gz HJFGELXTKSJCOY-UHFFFAOYSA-N 0 0 450.516 4.328 50 0 JIAARN Cc1ccc2c(COC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cc(=O)oc2c1 ZINC000009128382 194556390 /nfs/dbraw/zinc/55/63/90/194556390.db2.gz KBGAJCLWNLZAMV-QHCPKHFHSA-N 0 0 467.477 4.052 50 0 JIAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)C3CCC3)CC2)c1 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O=C(OCc1cc2ccccc2nc1Cl)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000009245042 194630562 /nfs/dbraw/zinc/63/05/62/194630562.db2.gz MWRGWMNQEDWXIJ-UHFFFAOYSA-N 0 0 495.782 4.448 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1F)CC2 ZINC000009306605 194677980 /nfs/dbraw/zinc/67/79/80/194677980.db2.gz DOTMKVKEWOHORJ-QHCPKHFHSA-N 0 0 477.536 4.161 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000009335862 194697036 /nfs/dbraw/zinc/69/70/36/194697036.db2.gz JCXVGXJKAOUUHC-QUCCMNQESA-N 0 0 454.592 4.099 50 0 JIAARN Cc1oc2c(cc3c(C)c(CCC(=O)N4CCN(c5ccccn5)CC4)c(=O)oc3c2C)c1C ZINC000009341450 194701711 /nfs/dbraw/zinc/70/17/11/194701711.db2.gz OGSWMRMPZXDYHO-UHFFFAOYSA-N 0 0 459.546 4.449 50 0 JIAARN O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)N1CCN(c2nsc3ccccc32)CC1 ZINC000009410109 194755715 /nfs/dbraw/zinc/75/57/15/194755715.db2.gz MITCKLKTAUYSTL-UHFFFAOYSA-N 0 0 475.570 4.009 50 0 JIAARN COc1ccc(N2C(SCc3c(Cl)cccc3Cl)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 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COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009632624 194832013 /nfs/dbraw/zinc/83/20/13/194832013.db2.gz NNZVSANYZZPWDL-UHFFFAOYSA-N 0 0 457.865 4.382 50 0 JIAARN COc1ccc(OC)c(-c2csc(NC(=O)CSc3nnc(C4CC4)n3C3CC3)n2)c1 ZINC000009638355 194841712 /nfs/dbraw/zinc/84/17/12/194841712.db2.gz JCBGHNLSBUNRBE-UHFFFAOYSA-N 0 0 457.581 4.362 50 0 JIAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)COC(=O)c2ccccc2O)cc1OC ZINC000009646835 194853026 /nfs/dbraw/zinc/85/30/26/194853026.db2.gz SGLFBQXYQMPWFR-GOSISDBHSA-N 0 0 466.515 4.006 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Br)cc2)c(NC(=O)[C@H]2CCCO2)c1 ZINC000009671799 194875635 /nfs/dbraw/zinc/87/56/35/194875635.db2.gz QJYGBYKHRQTXSK-HXUWFJFHSA-N 0 0 497.411 4.389 50 0 JIAARN O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)c1ccccc1OCc1ccc(F)cc1 ZINC000009662920 194859949 /nfs/dbraw/zinc/85/99/49/194859949.db2.gz PKGFMWPBXJUMQE-HMAPJEAMSA-N 0 0 477.517 4.266 50 0 JIAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Nc1ccc(Cl)cc1F ZINC000009663511 194860671 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biogenic JIAARN Cc1sc2nc(-c3cccnc3)nc(N3CCN(CC(=O)NC4CC4)CC3)c2c1-c1ccccc1 ZINC000012680661 195084059 /nfs/dbraw/zinc/08/40/59/195084059.db2.gz ISWXGDCETJEMOX-UHFFFAOYSA-N 0 0 484.629 4.129 50 0 JIAARN COc1ccc(NC(=O)COc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cc1Cl ZINC000012683491 195085003 /nfs/dbraw/zinc/08/50/03/195085003.db2.gz SDHFGQUARQFZBY-UHFFFAOYSA-N 0 0 468.893 4.025 50 0 JIAARN COc1ccc([C@@H](CNC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)N2CCCCC2)cc1 ZINC000012687066 195086313 /nfs/dbraw/zinc/08/63/13/195086313.db2.gz JUDAUVJXJJZPCF-HSZRJFAPSA-N 0 0 466.578 4.163 50 0 JIAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccs1 ZINC000012688378 195086954 /nfs/dbraw/zinc/08/69/54/195086954.db2.gz CFCPPBBVLDIXJW-QFIPXVFZSA-N 0 0 472.570 4.336 50 0 JIAARN COc1cc(C(=O)Nc2cccc(NS(=O)(=O)c3ccc(C)c(C)c3)c2)cc2c1OCCO2 ZINC000012728482 195098120 /nfs/dbraw/zinc/09/81/20/195098120.db2.gz AFOBVLLLGQAOJM-UHFFFAOYSA-N 0 0 468.531 4.136 50 0 JIAARN O=C(CN(Cc1ccccc1)S(=O)(=O)/C=C/c1ccccc1)Nc1ccccc1N1CCCC1=O ZINC000012732498 195098995 /nfs/dbraw/zinc/09/89/95/195098995.db2.gz MVFVYYYPZGEWFI-HTXNQAPBSA-N 0 0 489.597 4.255 50 0 JIAARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1CC(=O)Nc1cccc(C(=O)NC2CC2)c1)OCCO3 ZINC000012733190 195099407 /nfs/dbraw/zinc/09/94/07/195099407.db2.gz YIUNPKUSBSNMFO-SFHVURJKSA-N 0 0 475.589 4.177 50 0 JIAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1c2ccccc2nc2c1CCC/C2=C\c1ccc(F)cc1 ZINC000012740559 195100789 /nfs/dbraw/zinc/10/07/89/195100789.db2.gz CDIMAMCCZFJBDI-FLXZHSAZSA-N 0 0 450.535 4.168 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)c2)C[C@H](C)O1 ZINC000012742035 195101065 /nfs/dbraw/zinc/10/10/65/195101065.db2.gz GQZPSTNGQPJHEQ-ISCCLHIJSA-N 0 0 490.625 4.272 50 0 JIAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000012745427 195102138 /nfs/dbraw/zinc/10/21/38/195102138.db2.gz UVUYUIMUXUMIQT-GOSISDBHSA-N 0 0 481.496 4.004 50 0 JIAARN COc1cc(OC)c(N2C[C@H](C(=O)Nc3c(C)nn(-c4ccc(C)cc4)c3C)CC2=O)cc1Cl ZINC000012750073 195104938 /nfs/dbraw/zinc/10/49/38/195104938.db2.gz BWKJJVNPCNKNHG-QGZVFWFLSA-N 0 0 482.968 4.460 50 0 JIAARN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012751137 195105892 /nfs/dbraw/zinc/10/58/92/195105892.db2.gz YAMKZKZAWGDLJI-UHFFFAOYSA-N 0 0 467.418 4.199 50 0 JIAARN O=C(Nc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1)c1ccco1 ZINC000012751589 195106156 /nfs/dbraw/zinc/10/61/56/195106156.db2.gz NCRFEZWTDFGRDG-UHFFFAOYSA-N 0 0 460.486 4.038 50 0 JIAARN O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccc(Oc2ccccc2)cc1 ZINC000012751550 195106162 /nfs/dbraw/zinc/10/61/62/195106162.db2.gz DCJFZQDFKVIICW-UHFFFAOYSA-N 0 0 450.438 4.415 50 0 JIAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000012751648 195106171 /nfs/dbraw/zinc/10/61/71/195106171.db2.gz UZUONIRZRMYHAK-UHFFFAOYSA-N 0 0 472.950 4.184 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3C(C)C)c12 ZINC000012754671 195108188 /nfs/dbraw/zinc/10/81/88/195108188.db2.gz VWKXLRXYUMAXBB-QGZVFWFLSA-N 0 0 452.580 4.352 50 0 JIAARN CCCc1cc(=O)oc2cc(OC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(C)s4)C3)ccc12 ZINC000012756722 195108929 /nfs/dbraw/zinc/10/89/29/195108929.db2.gz PXUNNMHGFWBDJT-QGZVFWFLSA-N 0 0 475.588 4.122 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCC[C@@H]3Cc3ccccc3)cc2)cc1 ZINC000012759844 195110063 /nfs/dbraw/zinc/11/00/63/195110063.db2.gz WWEJZQYYJJQLPF-XMMPIXPASA-N 0 0 478.614 4.433 50 0 JIAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000012763823 195112610 /nfs/dbraw/zinc/11/26/10/195112610.db2.gz PFQQSATYQWVYMU-UHFFFAOYSA-N 0 0 480.583 4.368 50 0 JIAARN Cc1cc(C)cc(-n2c(-c3ccccc3)cnc2S[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000012764900 195113060 /nfs/dbraw/zinc/11/30/60/195113060.db2.gz IZSBTHIRTCSMQH-CTNGQTDRSA-N 0 0 483.659 4.282 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1sc2ccccc2c1Cl ZINC000012767438 195114776 /nfs/dbraw/zinc/11/47/76/195114776.db2.gz VKTNEXUKMGVORP-UHFFFAOYSA-N 0 0 480.995 4.227 50 0 JIAARN CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000012772333 195118487 /nfs/dbraw/zinc/11/84/87/195118487.db2.gz FHSZGYFOCVWCFF-HXUWFJFHSA-N 0 0 490.965 4.098 50 0 JIAARN COc1ccc(C)cc1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1F ZINC000012772592 195118817 /nfs/dbraw/zinc/11/88/17/195118817.db2.gz OBRAHCQJRLLWMI-UHFFFAOYSA-N 0 0 460.502 4.111 50 0 JIAARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012774361 195119667 /nfs/dbraw/zinc/11/96/67/195119667.db2.gz QRXNCQHELYLIAY-UHFFFAOYSA-N 0 0 494.400 4.114 50 0 JIAARN Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)cc1I ZINC000012774614 195119972 /nfs/dbraw/zinc/11/99/72/195119972.db2.gz IIGJWCONXUJKGH-UHFFFAOYSA-N 0 0 450.276 4.427 50 0 JIAARN CN(Cc1ccc(Br)cc1)C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000012776016 195120842 /nfs/dbraw/zinc/12/08/42/195120842.db2.gz OXHRQVRXKXMCDA-UHFFFAOYSA-N 0 0 484.379 4.034 50 0 JIAARN CS(=O)(=O)NCCc1ccc(C(=O)CSc2ncnc3sc(-c4ccccc4)cc32)s1 ZINC000012778153 195122417 /nfs/dbraw/zinc/12/24/17/195122417.db2.gz SLAJIHBMMXPDAB-UHFFFAOYSA-N 0 0 489.669 4.487 50 0 JIAARN CC(C)Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000012778034 195122430 /nfs/dbraw/zinc/12/24/30/195122430.db2.gz ISCFQMVMFNMBCF-QGZVFWFLSA-N 0 0 465.015 4.050 50 0 JIAARN COc1ccccc1[C@@H](CNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C)N(C)C ZINC000012778959 195122880 /nfs/dbraw/zinc/12/28/80/195122880.db2.gz JVVCSDLNSPVHOY-TZIWHRDSSA-N 0 0 466.409 4.176 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)c1c(C)cc(C)cc1C)n(C[C@@H]1CCCO1)c2=O ZINC000012779961 195123781 /nfs/dbraw/zinc/12/37/81/195123781.db2.gz BFOGHCPFCQLDJP-IBGZPJMESA-N 0 0 480.586 4.262 50 0 JIAARN O=C(COc1ccc(Br)cc1Cl)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000012780181 195123956 /nfs/dbraw/zinc/12/39/56/195123956.db2.gz SKKHOTGGGUNBMS-UHFFFAOYSA-N 0 0 493.741 4.339 50 0 JIAARN COc1cc(C(C)=O)ccc1OC[C@H](O)Cn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O ZINC000012780575 195124218 /nfs/dbraw/zinc/12/42/18/195124218.db2.gz CDTAZOZGNNXOBY-HXUWFJFHSA-N 0 0 478.570 4.393 50 0 JIAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)c1ccc(Cl)cc1 ZINC000012783995 195126212 /nfs/dbraw/zinc/12/62/12/195126212.db2.gz DJEDKAYIVHNLHF-OAHLLOKOSA-N 0 0 472.950 4.038 50 0 JIAARN CCOCCCn1c(S[C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)nc2sc(C)c(C)c2c1=O ZINC000012784597 195126716 /nfs/dbraw/zinc/12/67/16/195126716.db2.gz NYZJQHOJYQPGIH-RVKKMQEKSA-N 0 0 465.685 4.487 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cc(C3CC3)nc3onc(C)c32)c1 ZINC000012784549 195126757 /nfs/dbraw/zinc/12/67/57/195126757.db2.gz JZRVBCWEBSMXKV-UHFFFAOYSA-N 0 0 456.568 4.308 50 0 JIAARN C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012785999 195128004 /nfs/dbraw/zinc/12/80/04/195128004.db2.gz VLHQJYUFGLVVKX-YUNKPMOVSA-N 0 0 450.438 4.205 50 0 JIAARN Cc1cc(C(=O)CN(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c(C)n1[C@H](C)c1ccccc1 ZINC000012786268 195128399 /nfs/dbraw/zinc/12/83/99/195128399.db2.gz VCBOXIHKNCANKJ-HYBUGGRVSA-N 0 0 496.677 4.202 50 0 JIAARN CCn1c(Sc2nc(CN3CCC(C)CC3)nc3sc4c(c32)CCC4)nnc1N1CCOCC1 ZINC000012786420 195128614 /nfs/dbraw/zinc/12/86/14/195128614.db2.gz KINQHGOWOQDCBO-UHFFFAOYSA-N 0 0 499.710 4.011 50 0 JIAARN O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000012788124 195129596 /nfs/dbraw/zinc/12/95/96/195129596.db2.gz JDICLINIRJZIRA-UHFFFAOYSA-N 0 0 468.556 4.435 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)N(CC(C)C)CC(C)C)n(Cc1ccco1)c2=O ZINC000012788472 195130014 /nfs/dbraw/zinc/13/00/14/195130014.db2.gz KBCXWBVGSWUZMK-UHFFFAOYSA-N 0 0 485.606 4.057 50 0 JIAARN COc1cccc([C@@H](NC(=O)COc2c(C)cc(Br)cc2Cl)c2nccn2C)c1 ZINC000012790616 195131641 /nfs/dbraw/zinc/13/16/41/195131641.db2.gz APDFJYWWSLVXQB-LJQANCHMSA-N 0 0 478.774 4.438 50 0 JIAARN COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000012789285 195130343 /nfs/dbraw/zinc/13/03/43/195130343.db2.gz OCRWOQGHAQLVBF-QHCPKHFHSA-N 0 0 456.608 4.076 50 0 JIAARN CN(C)[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccccc1Cl ZINC000012790953 195131962 /nfs/dbraw/zinc/13/19/62/195131962.db2.gz FNHJZIGHDMUPSR-RTWAWAEBSA-N 0 0 456.011 4.162 50 0 JIAARN O=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000012792436 195133132 /nfs/dbraw/zinc/13/31/32/195133132.db2.gz ZRCQNMIVXBPTAE-IBGZPJMESA-N 0 0 456.550 4.470 50 0 JIAARN O=C(N[C@H](c1cccs1)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012794109 195134251 /nfs/dbraw/zinc/13/42/51/195134251.db2.gz DVVUDIPQKJVCRD-QFIPXVFZSA-N 0 0 458.580 4.194 50 0 JIAARN CCOc1ccccc1-n1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2ccccc2c1=O ZINC000012794645 195134887 /nfs/dbraw/zinc/13/48/87/195134887.db2.gz TWYSZQXIKFLVKL-UHFFFAOYSA-N 0 0 488.569 4.474 50 0 JIAARN COc1ccc(-c2noc(CCCCCNC(=O)[C@@H]3CCCN3c3ncnc4ccccc43)n2)cc1 ZINC000012795020 195134994 /nfs/dbraw/zinc/13/49/94/195134994.db2.gz FUJLQULAAREPFN-QHCPKHFHSA-N 0 0 486.576 4.186 50 0 JIAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)C1=O ZINC000012794910 195135078 /nfs/dbraw/zinc/13/50/78/195135078.db2.gz RGTOJOXPGIEXMY-IBVKSMDESA-N 0 0 476.602 4.293 50 0 JIAARN Cc1cc(N2CCN(C(=O)CCc3c(C)nc4c5ccccc5nn4c3C)CC2)nc(C(C)C)n1 ZINC000012795544 195135466 /nfs/dbraw/zinc/13/54/66/195135466.db2.gz CIMZLEPQEZRCJK-UHFFFAOYSA-N 0 0 471.609 4.003 50 0 JIAARN COc1ccc(CN(C)C(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(F)c3F)cc2)cc1F ZINC000012797524 195136877 /nfs/dbraw/zinc/13/68/77/195136877.db2.gz UYIPSYSQFQGWTM-UHFFFAOYSA-N 0 0 496.482 4.002 50 0 JIAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)c1C ZINC000012797366 195136969 /nfs/dbraw/zinc/13/69/69/195136969.db2.gz DRINXWPOPRZUTE-UHFFFAOYSA-N 0 0 493.629 4.198 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1 ZINC000012797923 195137404 /nfs/dbraw/zinc/13/74/04/195137404.db2.gz VQQNHPOMHORDIA-KDOFPFPSSA-N 0 0 471.608 4.263 50 0 JIAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000012798734 195138235 /nfs/dbraw/zinc/13/82/35/195138235.db2.gz WLSDYOATEYGLIR-INIZCTEOSA-N 0 0 464.393 4.106 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N[C@H]3CCSc4c(F)cccc43)ccc2Cl)C[C@@H](C)O1 ZINC000012799340 195138300 /nfs/dbraw/zinc/13/83/00/195138300.db2.gz MMBCWLIUDWEMHX-LPMFXHHGSA-N 0 0 499.029 4.244 50 0 JIAARN COc1cc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc(OC)c1OCc1ccccc1 ZINC000012799631 195138527 /nfs/dbraw/zinc/13/85/27/195138527.db2.gz PUPVGMXKONPBHN-DEOSSOPVSA-N 0 0 476.573 4.086 50 0 JIAARN Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000012798178 195137752 /nfs/dbraw/zinc/13/77/52/195137752.db2.gz CIPAOUQNOFEXMH-UHFFFAOYSA-N 0 0 468.550 4.002 50 0 JIAARN CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000012800678 195139092 /nfs/dbraw/zinc/13/90/92/195139092.db2.gz DIVNQHYTBKASQY-JTSKRJEESA-N 0 0 490.691 4.117 50 0 JIAARN C[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012802614 195140076 /nfs/dbraw/zinc/14/00/76/195140076.db2.gz PEIUFGGQYRDWEI-JTQLQIEISA-N 0 0 463.239 4.312 50 0 JIAARN CCOc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1S(=O)(=O)N(CC)CC ZINC000012807311 195142327 /nfs/dbraw/zinc/14/23/27/195142327.db2.gz JXUBFMANHRPGFM-HNNXBMFYSA-N 0 0 454.976 4.175 50 0 JIAARN CCc1c(C)sc2nc(S[C@@H](C(=O)NC(N)=O)C(C)C)n(-c3cc(C)ccc3C)c(=O)c21 ZINC000012807370 195142383 /nfs/dbraw/zinc/14/23/83/195142383.db2.gz RTTRBEZCDQUEDS-GOSISDBHSA-N 0 0 472.636 4.246 50 0 JIAARN COc1cc2nc(-c3ccccc3)nc(N3CCN(C(=O)c4ccccc4)CC3)c2cc1OC ZINC000012808073 195142915 /nfs/dbraw/zinc/14/29/15/195142915.db2.gz SKPKNEMPXIHSCP-UHFFFAOYSA-N 0 0 454.530 4.276 50 0 JIAARN Cc1sc2nc(S[C@@H](C)C(=O)Nc3sccc3C(N)=O)n(CC(C)C)c(=O)c2c1C ZINC000012812939 195145360 /nfs/dbraw/zinc/14/53/60/195145360.db2.gz ATDXABRBXDQRMN-LBPRGKRZSA-N 0 0 464.638 4.011 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2sc(C)nc2-c2ccc(F)cc2)c1 ZINC000012814910 195146363 /nfs/dbraw/zinc/14/63/63/195146363.db2.gz ZBXPPSFJLPMXBH-UHFFFAOYSA-N 0 0 491.610 4.478 50 0 JIAARN Cc1nn(-c2ccc(C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)cc2)c(C)c1Cl ZINC000012816316 195146973 /nfs/dbraw/zinc/14/69/73/195146973.db2.gz SKQUBLLULOWSSG-JOCHJYFZSA-N 0 0 456.949 4.085 50 0 JIAARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000012819498 195148655 /nfs/dbraw/zinc/14/86/55/195148655.db2.gz WGBOXIUEVIXKTB-NRFANRHFSA-N 0 0 480.030 4.155 50 0 JIAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000012820970 195149330 /nfs/dbraw/zinc/14/93/30/195149330.db2.gz DZGOKXOSBUBJBO-QZTJIDSGSA-N 0 0 465.619 4.452 50 0 JIAARN CC(=O)c1ccc(N2CCN(C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)CC2)c(F)c1 ZINC000012821615 195149514 /nfs/dbraw/zinc/14/95/14/195149514.db2.gz RYNRRMSTZXVBOG-JOCHJYFZSA-N 0 0 464.537 4.383 50 0 JIAARN CC(C)c1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cs2)cc1 ZINC000012822706 195150139 /nfs/dbraw/zinc/15/01/39/195150139.db2.gz ZZPVKWOJHRRYRM-UHFFFAOYSA-N 0 0 473.595 4.219 50 0 JIAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000012848876 195153742 /nfs/dbraw/zinc/15/37/42/195153742.db2.gz LLKPSWIKGBBMFT-IBGZPJMESA-N 0 0 455.942 4.187 50 0 JIAARN CCOc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)cc1 ZINC000012852343 195155237 /nfs/dbraw/zinc/15/52/37/195155237.db2.gz YSYKHNZLINYXTE-HHHXNRCGSA-N 0 0 455.514 4.203 50 0 JIAARN COc1ccccc1[C@H]1CN2C(=O)CN(Cc3ccco3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012875610 195165824 /nfs/dbraw/zinc/16/58/24/195165824.db2.gz BGLHHJJDUJJGTM-HRFSGMKKSA-N 0 0 455.514 4.001 50 0 biogenic JIAARN COc1ccc(-c2nc(C(=O)N3CCN(Cc4cccc(Cl)c4)CC3)cs2)cc1OC ZINC000012899616 195176853 /nfs/dbraw/zinc/17/68/53/195176853.db2.gz CYKOVCGOGOSDOC-UHFFFAOYSA-N 0 0 457.983 4.439 50 0 JIAARN CN(c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)S(=O)(=O)c1cccs1 ZINC000012880639 195168102 /nfs/dbraw/zinc/16/81/02/195168102.db2.gz FYIVBMCHEWUVOM-UHFFFAOYSA-N 0 0 481.393 4.353 50 0 JIAARN C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)NCc3ccco3)C(=O)N21 ZINC000012882036 195168912 /nfs/dbraw/zinc/16/89/12/195168912.db2.gz KQFSFRDYQCJTNU-QRQCRPRQSA-N 0 0 454.486 4.145 50 0 biogenic JIAARN COc1cc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc(Cl)c1OC(C)C ZINC000012886388 195170727 /nfs/dbraw/zinc/17/07/27/195170727.db2.gz FQIIGYAVROJELR-ZIAGYGMSSA-N 0 0 453.992 4.454 50 0 JIAARN COc1ccc(-c2nc(COC(=O)[C@@]34CCC(=O)N3c3ccccc3S4)cs2)c(OC)c1 ZINC000012886788 195170734 /nfs/dbraw/zinc/17/07/34/195170734.db2.gz UFGCDYYKUKZLTO-QHCPKHFHSA-N 0 0 468.556 4.500 50 0 JIAARN CCCCNC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)[C@@H](C)CC ZINC000012887964 195171385 /nfs/dbraw/zinc/17/13/85/195171385.db2.gz PEMBDPCYQVOASM-KJPXCWHJSA-N 0 0 486.616 4.085 50 0 biogenic JIAARN Cc1c(C)c2c(OCC(=O)Nc3ccc4c(c3)OCCO4)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000012887871 195171409 /nfs/dbraw/zinc/17/14/09/195171409.db2.gz GFUNASWTNWYLTI-UHFFFAOYSA-N 0 0 465.502 4.302 50 0 biogenic JIAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@H](C)c1ccccc1 ZINC000012888509 195171713 /nfs/dbraw/zinc/17/17/13/195171713.db2.gz KYNCVQJNDCGRKD-PEGZGNFISA-N 0 0 479.646 4.443 50 0 biogenic JIAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)NCCC(=O)N2CCCCCC2)cc1 ZINC000012894207 195174713 /nfs/dbraw/zinc/17/47/13/195174713.db2.gz LXXKSQOZGFUFKQ-HHHXNRCGSA-N 0 0 495.620 4.162 50 0 biogenic JIAARN Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N(C)CC(=O)NC(C)C)cc12 ZINC000012898810 195176570 /nfs/dbraw/zinc/17/65/70/195176570.db2.gz CUMONIICFZBMRM-UHFFFAOYSA-N 0 0 453.395 4.358 50 0 JIAARN C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)N(c1cccc(C(=O)NC3CCCCC3)c1)C2=O ZINC000012865470 195161161 /nfs/dbraw/zinc/16/11/61/195161161.db2.gz QAVQRPDRBBPHMF-MHZLTWQESA-N 0 0 456.546 4.471 50 0 biogenic JIAARN C[C@@]12C[C@@H](c3cc(Br)cc(Br)c3O1)[C@@H](C(=O)c1ccccc1)C(=O)N2 ZINC000020642250 195193787 /nfs/dbraw/zinc/19/37/87/195193787.db2.gz SGKZXEAPGHHBML-RFUYNDQBSA-N 0 0 465.141 4.423 50 0 JIAARN O=C(CCn1c(=O)c2ccccc2nc1SCC(=O)OCc1ccccc1)NC1CCCCC1 ZINC000020643935 195194361 /nfs/dbraw/zinc/19/43/61/195194361.db2.gz NJJFWYPDODEFPW-UHFFFAOYSA-N 0 0 479.602 4.071 50 0 JIAARN CCNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000012904802 195179127 /nfs/dbraw/zinc/17/91/27/195179127.db2.gz IWNYERLNJPOFJX-BUBBNXEVSA-N 0 0 469.445 4.082 50 0 JIAARN O=C(Nc1ccc(C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1)c1cccs1 ZINC000012905024 195179130 /nfs/dbraw/zinc/17/91/30/195179130.db2.gz KVRVQLONGWQKCT-QFIPXVFZSA-N 0 0 475.570 4.421 50 0 JIAARN C[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000012905260 195179272 /nfs/dbraw/zinc/17/92/72/195179272.db2.gz WTNOTFZSPJTEEX-JKSUJKDBSA-N 0 0 453.489 4.452 50 0 JIAARN Cc1cc(NC(=O)c2cc(-c3c(C)nn(C)c3C)nc3c2c(C)nn3C)nn1Cc1ccccc1F ZINC000020606317 195181329 /nfs/dbraw/zinc/18/13/29/195181329.db2.gz QVSVHWPSKJBDHM-UHFFFAOYSA-N 0 0 486.555 4.239 50 0 JIAARN CC[C@H](C(=O)Nc1c(C)nn(Cc2cnn(CC)c2C)c1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607570 195181459 /nfs/dbraw/zinc/18/14/59/195181459.db2.gz QYEIZMHJTLEGPP-GOSISDBHSA-N 0 0 477.535 4.367 50 0 JIAARN CCOc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccccc3F)CC2)cc1 ZINC000020614607 195186943 /nfs/dbraw/zinc/18/69/43/195186943.db2.gz CNFPRJOTPPAZJW-VWLOTQADSA-N 0 0 491.563 4.246 50 0 JIAARN CCOC(=O)c1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2)cc1 ZINC000020616956 195188617 /nfs/dbraw/zinc/18/86/17/195188617.db2.gz CUHHRSIVXUZHPG-GNVQSUKOSA-N 0 0 457.486 4.290 50 0 JIAARN Cn1cc(C(=O)Nc2cccc(-c3ccno3)c2)c(C(=O)Nc2cccc(-c3ccno3)c2)n1 ZINC000020617097 195188941 /nfs/dbraw/zinc/18/89/41/195188941.db2.gz SQSJXAOJGKAMRS-UHFFFAOYSA-N 0 0 454.446 4.235 50 0 JIAARN Cn1nc(C(=O)Nc2ccccc2Br)cc1C(=O)Nc1ccccc1Br ZINC000020617483 195189268 /nfs/dbraw/zinc/18/92/68/195189268.db2.gz RDAFHCJIUWYKGN-UHFFFAOYSA-N 0 0 478.144 4.450 50 0 JIAARN CCOC(CCn1c(SCC(=O)N[C@@H](C)CC)nc2c3ccccc3sc2c1=O)OCC ZINC000020640994 195192914 /nfs/dbraw/zinc/19/29/14/195192914.db2.gz IRVXXTVPMGOOKJ-HNNXBMFYSA-N 0 0 477.652 4.407 50 0 JIAARN O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000020676642 195201107 /nfs/dbraw/zinc/20/11/07/195201107.db2.gz NHYRSWQQPZSEIP-AREMUKBSSA-N 0 0 456.546 4.085 50 0 JIAARN O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000020677396 195202247 /nfs/dbraw/zinc/20/22/47/195202247.db2.gz JKCBFXCAHZJQSC-AREMUKBSSA-N 0 0 456.546 4.085 50 0 JIAARN COC(CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O)OC ZINC000020735788 195212794 /nfs/dbraw/zinc/21/27/94/195212794.db2.gz NNRKANQZRNCGED-UMSFTDKQSA-N 0 0 498.988 4.016 50 0 JIAARN Cc1ccccc1NS(=O)(=O)c1ccc2ncc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(O)c2c1 ZINC000020726875 195208262 /nfs/dbraw/zinc/20/82/62/195208262.db2.gz XWMSIJUDDRVRAM-LBUQITIBSA-N 0 0 467.591 4.192 50 0 JIAARN COc1cc(-n2ccc3c(nnc4c(-c5cccc(Cl)c5)c(C)nn43)c2=O)cc(OC)c1OC ZINC000020731741 195210545 /nfs/dbraw/zinc/21/05/45/195210545.db2.gz IGQQDDAGSRQBBT-UHFFFAOYSA-N 0 0 477.908 4.083 50 0 JIAARN COc1ccccc1CNC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020850889 195231250 /nfs/dbraw/zinc/23/12/50/195231250.db2.gz XHXOVGMMAMLSGR-QHCPKHFHSA-N 0 0 485.005 4.343 50 0 JIAARN CC(C)c1ccc([C@@H](CNC(=O)C2=C(c3ccccc3)SCCO2)N2CCOCC2)cc1 ZINC000020744369 195214874 /nfs/dbraw/zinc/21/48/74/195214874.db2.gz NPUNFNHBUNRLLA-HSZRJFAPSA-N 0 0 452.620 4.432 50 0 JIAARN COc1ccc(OC)c(C=C2CCCC3C2=Nc2nnnn2[C@H]3c2cc(OC)ccc2OC)c1 ZINC000020754646 195215547 /nfs/dbraw/zinc/21/55/47/195215547.db2.gz GKKDSZHAOULQGF-AIIPKAINSA-N 0 0 461.522 4.244 50 0 JIAARN Cc1nnc2nc(SCC(=O)Nc3ccc(C)cc3)n(-c3ccc(Br)cc3)c(N)c1-2 ZINC000020758590 195216922 /nfs/dbraw/zinc/21/69/22/195216922.db2.gz NUINGJKADUUNDH-UHFFFAOYSA-N 0 0 483.395 4.338 50 0 JIAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)Nc4ccc(CN5CCOCC5)cc4)c12)OC(C)(C)CC3 ZINC000020759319 195217294 /nfs/dbraw/zinc/21/72/94/195217294.db2.gz WYMWSGQRBUDAKJ-UHFFFAOYSA-N 0 0 492.572 4.055 50 0 biogenic JIAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)NCCc2ccc(OC)c(OC)c2)c1C ZINC000020760601 195217621 /nfs/dbraw/zinc/21/76/21/195217621.db2.gz LJQLIEDQSQJAFV-UHFFFAOYSA-N 0 0 494.588 4.415 50 0 JIAARN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000020761658 195217994 /nfs/dbraw/zinc/21/79/94/195217994.db2.gz PAMNJGUVIMOYKE-FQEVSTJZSA-N 0 0 454.368 4.270 50 0 biogenic JIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCCCOc3ccc(Cl)c(C)c3)cc2)S1 ZINC000020895696 195239463 /nfs/dbraw/zinc/23/94/63/195239463.db2.gz ZAYVPSGKVDOUMG-NRFANRHFSA-N 0 0 461.971 4.497 50 0 JIAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Cl)c1OCCOc1ccc(C)cc1C ZINC000020895578 195239630 /nfs/dbraw/zinc/23/96/30/195239630.db2.gz JXIGSNUAPJBBPZ-JOCHJYFZSA-N 0 0 491.997 4.424 50 0 JIAARN COc1ccc(OCCOc2ccc(Cl)c(C)c2)c([C@@H]2SC(NC(C)=O)=NN2C(C)=O)c1 ZINC000020896435 195240138 /nfs/dbraw/zinc/24/01/38/195240138.db2.gz QZDHFAASXWYGLW-NRFANRHFSA-N 0 0 477.970 4.116 50 0 JIAARN CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cc(OC)ccc2OC)c1=O ZINC000020899550 195240853 /nfs/dbraw/zinc/24/08/53/195240853.db2.gz XXJPXWHDNFKMKB-UHFFFAOYSA-N 0 0 486.528 4.068 50 0 JIAARN CCOC(=O)C[C@@H]1c2cc(OCC)c(OCC)cc2CCN1S(=O)(=O)c1ccc(C)cc1 ZINC000020920575 195247628 /nfs/dbraw/zinc/24/76/28/195247628.db2.gz IXQQZLCCMHFZRJ-OAQYLSRUSA-N 0 0 461.580 4.034 50 0 JIAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(F)cc2)n3C)cc1OC ZINC000020890209 195236818 /nfs/dbraw/zinc/23/68/18/195236818.db2.gz TZQBCJVXLWQQGY-KRWDZBQOSA-N 0 0 469.538 4.093 50 0 JIAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2F)n3C)cc1OC ZINC000020890218 195236981 /nfs/dbraw/zinc/23/69/81/195236981.db2.gz WGHNICFYQDUHNI-INIZCTEOSA-N 0 0 469.538 4.093 50 0 JIAARN Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020893791 195238523 /nfs/dbraw/zinc/23/85/23/195238523.db2.gz PHIUDIOASAPJJO-UHFFFAOYSA-N 0 0 463.481 4.444 50 0 JIAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3cccc(C(C)=O)c3)c2c1 ZINC000020940268 195254887 /nfs/dbraw/zinc/25/48/87/195254887.db2.gz ZRWPBSLKZSNZNL-UHFFFAOYSA-N 0 0 455.514 4.464 50 0 JIAARN COc1ccc(-c2noc(CN3CCC(C(=O)Nc4nc5ccccc5s4)CC3)n2)cc1OC ZINC000020940409 195255201 /nfs/dbraw/zinc/25/52/01/195255201.db2.gz GNZWAMZCWXIOIM-UHFFFAOYSA-N 0 0 479.562 4.214 50 0 JIAARN COCCn1c(=O)c2ccc(C(=O)NCC(C)C)cc2nc1SCC(=O)c1cccc(Cl)c1 ZINC000020945886 195256641 /nfs/dbraw/zinc/25/66/41/195256641.db2.gz VXWHCWUGFMJVKN-UHFFFAOYSA-N 0 0 488.009 4.057 50 0 JIAARN CCn1cc2nc(SCC(=O)Nc3ccc(F)cc3)n(Cc3ccc(Cl)cc3)c(=O)c2n1 ZINC000020981646 195259155 /nfs/dbraw/zinc/25/91/55/195259155.db2.gz BMRQAMZVILYKSJ-UHFFFAOYSA-N 0 0 471.945 4.185 50 0 JIAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(C)CCOc1ccc(Cl)cc1)C2=O ZINC000020936666 195253059 /nfs/dbraw/zinc/25/30/59/195253059.db2.gz UZZUYNKBKIUIOG-UHFFFAOYSA-N 0 0 464.006 4.094 50 0 JIAARN COc1ccc(CNC(=O)Cn2nc3c4cc(F)ccc4n(Cc4cccc(C)c4)cc-3c2=O)cc1 ZINC000020937164 195253311 /nfs/dbraw/zinc/25/33/11/195253311.db2.gz UQEHASAXTZGLRS-UHFFFAOYSA-N 0 0 484.531 4.124 50 0 JIAARN O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3F)cc-2c1=O)Nc1cccc(F)c1 ZINC000020937302 195253388 /nfs/dbraw/zinc/25/33/88/195253388.db2.gz WFJITJQBHQCQDH-UHFFFAOYSA-N 0 0 462.431 4.407 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)Sc4ccccc43)c2)on1 ZINC000020985164 195260290 /nfs/dbraw/zinc/26/02/90/195260290.db2.gz RBEJQULKMVRHLV-AWEZNQCLSA-N 0 0 474.560 4.216 50 0 JIAARN C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000020995679 195264317 /nfs/dbraw/zinc/26/43/17/195264317.db2.gz MRFFBDPLQUDVEW-AWEZNQCLSA-N 0 0 496.507 4.075 50 0 JIAARN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000021006322 195266324 /nfs/dbraw/zinc/26/63/24/195266324.db2.gz CDUGFGBSISITRK-UHFFFAOYSA-N 0 0 474.542 4.039 50 0 JIAARN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccc(SC)cc4)CC3)ccc21 ZINC000021053923 195273445 /nfs/dbraw/zinc/27/34/45/195273445.db2.gz VJMYHDUGWKEDMO-UHFFFAOYSA-N 0 0 471.648 4.100 50 0 JIAARN CCOC(=O)C1CCN([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098217 195275908 /nfs/dbraw/zinc/27/59/08/195275908.db2.gz YWKRRXAMUXWMKC-DEOSSOPVSA-N 0 0 468.525 4.007 50 0 aggregator JIAARN Cc1ccc(S(=O)(=O)N2CCN(c3nc4cc(Br)ccc4n4cccc34)CC2)c(C)c1 ZINC000021148252 195281846 /nfs/dbraw/zinc/28/18/46/195281846.db2.gz ZPDSHHULCAOCLM-UHFFFAOYSA-N 0 0 499.434 4.378 50 0 JIAARN COc1cccc(-c2cc(C3=NN(C(C)=O)[C@H](/C(Br)=C/c4ccccc4)O3)n[nH]2)c1 ZINC000021151750 195283161 /nfs/dbraw/zinc/28/31/61/195283161.db2.gz PTMWMTFTUDYQDN-OAIBDCNXSA-N 0 0 467.323 4.388 50 0 JIAARN COC(=O)c1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1 ZINC000021156740 195284846 /nfs/dbraw/zinc/28/48/46/195284846.db2.gz JQYDDBNFMLWXLL-UHFFFAOYSA-N 0 0 458.474 4.013 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000021156840 195285398 /nfs/dbraw/zinc/28/53/98/195285398.db2.gz HICLXUQYFUOCHE-UHFFFAOYSA-N 0 0 472.501 4.403 50 0 JIAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1=O ZINC000021170646 195289581 /nfs/dbraw/zinc/28/95/81/195289581.db2.gz ZOTRIYSYBCXSHO-RUZDIDTESA-N 0 0 478.549 4.203 50 0 JIAARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@@H](c2cccs2)OCC3(C)C)c(=O)n(C)c1=O ZINC000021176292 195290037 /nfs/dbraw/zinc/29/00/37/195290037.db2.gz SDAAGSAMFMRKBF-HXUWFJFHSA-N 0 0 455.967 4.275 50 0 JIAARN COc1ccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2ccccc2Cl)n(C)c(=O)n(C)c3=O)cc1 ZINC000021176404 195290052 /nfs/dbraw/zinc/29/00/52/195290052.db2.gz VAOUYVCYKCUWPX-HSZRJFAPSA-N 0 0 479.964 4.222 50 0 JIAARN COc1ccc(CC(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1F ZINC000021200908 195291491 /nfs/dbraw/zinc/29/14/91/195291491.db2.gz OXNAKXQIGXENGT-UHFFFAOYSA-N 0 0 478.929 4.478 50 0 JIAARN COc1ccccc1NC(=O)Cc1noc(COC(=O)c2c3ccccc3nc3c2C[C@H](C)CC3)n1 ZINC000021234975 195292161 /nfs/dbraw/zinc/29/21/61/195292161.db2.gz ROLMUOWBOHUKEJ-MRXNPFEDSA-N 0 0 486.528 4.289 50 0 JIAARN 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ZINC000046017027 523840838 /nfs/dbraw/zinc/84/08/38/523840838.db2.gz DICRXNBRYXJVSC-UHFFFAOYSA-N 0 0 487.579 4.466 50 0 JIAARN CCc1cc2c(cc3c(=O)n(CCCC(=O)NCc4ccc(OC(C)C)cc4)ncn23)s1 ZINC000020384456 523845477 /nfs/dbraw/zinc/84/54/77/523845477.db2.gz LEMQPZSBYNOYDJ-UHFFFAOYSA-N 0 0 452.580 4.157 50 0 JIAARN CCc1ccc(-c2nc3c(c(C(N)=O)n2)n(Cc2ccccc2)c(=O)n3-c2ccc(F)cc2)cc1 ZINC000064965848 523862043 /nfs/dbraw/zinc/86/20/43/523862043.db2.gz FPLGEZRDJXJHKC-UHFFFAOYSA-N 0 0 467.504 4.098 50 0 JIAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)N3CCCC[C@H]3CC)c2=O)CCC4)cc1 ZINC000008593343 523866519 /nfs/dbraw/zinc/86/65/19/523866519.db2.gz HWACNZZORQAUHR-GOSISDBHSA-N 0 0 465.619 4.056 50 0 JIAARN CCc1ccc(-n2c(CN3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)nc3cccnc32)cc1 ZINC000033139362 523868073 /nfs/dbraw/zinc/86/80/73/523868073.db2.gz MBQMPBZXIDYYBY-UHFFFAOYSA-N 0 0 489.645 4.106 50 0 JIAARN CCc1ccc(-n2nnc(C(=O)OCc3nc(-c4ccc(OC)cc4OC)oc3C)c2C)cc1 ZINC000016841264 523868987 /nfs/dbraw/zinc/86/89/87/523868987.db2.gz HOXYCKYSSCMPJJ-UHFFFAOYSA-N 0 0 462.506 4.476 50 0 JIAARN CC[C@H](C)CN1C(=O)[C@@H]([C@@H](C)CC)NC12CCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC2 ZINC000036028173 523878971 /nfs/dbraw/zinc/87/89/71/523878971.db2.gz RXAIQWZCCFTHSN-ABSDTBQOSA-N 0 0 489.604 4.079 50 0 JIAARN CCc1ccc(C(=O)OCc2sc(-c3ccccc3)nc2C)cc1S(=O)(=O)N1CCOCC1 ZINC000069349376 523897367 /nfs/dbraw/zinc/89/73/67/523897367.db2.gz KELUYZGCQKYFNY-UHFFFAOYSA-N 0 0 486.615 4.059 50 0 JIAARN COCCNC(=O)CSc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012423947 523899489 /nfs/dbraw/zinc/89/94/89/523899489.db2.gz XOESQCVHLTVIRW-IBGZPJMESA-N 0 0 492.597 4.392 50 0 JIAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1cccc(C)c1)n(-c1cccc(OC)c1)c2=O ZINC000033077788 523927754 /nfs/dbraw/zinc/92/77/54/523927754.db2.gz AWTITBIQBYLWLN-UHFFFAOYSA-N 0 0 489.597 4.371 50 0 JIAARN CCc1ccc(CNC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000033053227 523938813 /nfs/dbraw/zinc/93/88/13/523938813.db2.gz XQXAELIBGSRJNM-UHFFFAOYSA-N 0 0 469.651 4.344 50 0 JIAARN COc1ccc(CCN2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 ZINC000008599948 523946158 /nfs/dbraw/zinc/94/61/58/523946158.db2.gz TVXOSWAUCKDDER-DEOSSOPVSA-N 0 0 473.529 4.113 50 0 JIAARN COc1ccc(CCN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000021811188 523947907 /nfs/dbraw/zinc/94/79/07/523947907.db2.gz RWXUYUCSNSPHMW-MHSYPZLLSA-N 0 0 493.604 4.404 50 0 JIAARN COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3ccccc3)C2=O)cc1 ZINC000002093594 523949426 /nfs/dbraw/zinc/94/94/26/523949426.db2.gz JNICWLUKFOTQGL-LSYYVWMOSA-N 0 0 465.553 4.104 50 0 biogenic JIAARN CN(C(=O)c1ccccn1)[C@@H](Cc1ccccc1)C1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000012281550 523949736 /nfs/dbraw/zinc/94/97/36/523949736.db2.gz JXKMUQLNZFIGQV-BDYUSTAISA-N 0 0 469.585 4.007 50 0 JIAARN COc1ccc(CCNC(=O)CCN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)cc1OC ZINC000013843914 523955360 /nfs/dbraw/zinc/95/53/60/523955360.db2.gz KXYPCVFZVIDNRU-MUUNZHRXSA-N 0 0 483.568 4.479 50 0 JIAARN COc1ccc(CCNC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1OC ZINC000067289677 523959517 /nfs/dbraw/zinc/95/95/17/523959517.db2.gz LKMOAEQXHSAQSP-UHFFFAOYSA-N 0 0 476.602 4.481 50 0 JIAARN COCCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000016775498 523967781 /nfs/dbraw/zinc/96/77/81/523967781.db2.gz DYKUILGVZHHVPC-HXUWFJFHSA-N 0 0 478.423 4.169 50 0 JIAARN COc1ccc(CCNC(=O)c2cn(Cc3ccc(F)cc3)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 ZINC000016953714 523971137 /nfs/dbraw/zinc/97/11/37/523971137.db2.gz YPJGPQFTRSWJET-UHFFFAOYSA-N 0 0 496.542 4.307 50 0 JIAARN CCc1ccc(NC(=O)CCn2cnc3onc(-c4cc(OC)ccc4Cl)c3c2=O)cc1 ZINC000033250028 523972175 /nfs/dbraw/zinc/97/21/75/523972175.db2.gz XYCXIYWMCCGTJN-UHFFFAOYSA-N 0 0 452.898 4.305 50 0 JIAARN CCc1ccc(NC(=O)Cn2c3ccccc3c3ncn(Cc4nc(C(C)C)no4)c(=O)c32)cc1 ZINC000033281339 523977427 /nfs/dbraw/zinc/97/74/27/523977427.db2.gz KWENPQXPAXDAEL-UHFFFAOYSA-N 0 0 470.533 4.107 50 0 JIAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036213175 523987448 /nfs/dbraw/zinc/98/74/48/523987448.db2.gz ZLJDMZDKRJYJOF-MBSDFSHPSA-N 0 0 470.013 4.214 50 0 JIAARN CCc1ccc(NC(=O)c2sc(NCCOC)c(C(=O)Nc3ccc(Cl)cc3)c2N)cc1 ZINC000095351679 523991407 /nfs/dbraw/zinc/99/14/07/523991407.db2.gz RHUSXACHKBDWKS-FQEVSTJZSA-N 0 0 472.998 4.062 50 0 JIAARN CCc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)cc1 ZINC000064999649 523992151 /nfs/dbraw/zinc/99/21/51/523992151.db2.gz IQHHBJVOULQZEF-UHFFFAOYSA-N 0 0 456.589 4.251 50 0 JIAARN CC[C@H](C)Nc1cnc2c(c1)c(NC(=O)[C@@H]1CCCO1)c(C(=O)OC)n2CCc1ccccc1 ZINC000014752584 524006711 /nfs/dbraw/zinc/00/67/11/524006711.db2.gz YQBYRPFUZUFZFE-UWJYYQICSA-N 0 0 464.566 4.394 50 0 JIAARN CCc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000033288305 524008808 /nfs/dbraw/zinc/00/88/08/524008808.db2.gz DQZKSLAIDHGLRD-UHFFFAOYSA-N 0 0 460.534 4.458 50 0 JIAARN CCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000033140275 524011503 /nfs/dbraw/zinc/01/15/03/524011503.db2.gz WXJDSPNBFWOUFV-UHFFFAOYSA-N 0 0 483.659 4.132 50 0 JIAARN CCc1ccc(S(=O)(=O)N2CCc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)ccc32)cc1 ZINC000033128525 524012719 /nfs/dbraw/zinc/01/27/19/524012719.db2.gz VMFVHLGXDOAUCK-UHFFFAOYSA-N 0 0 476.598 4.140 50 0 JIAARN COc1ccc(CN2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000009846499 524019839 /nfs/dbraw/zinc/01/98/39/524019839.db2.gz UIQXKHSRIHIYJY-DEOSSOPVSA-N 0 0 489.528 4.079 50 0 JIAARN COc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021853756 524021254 /nfs/dbraw/zinc/02/12/54/524021254.db2.gz BSONMLMJFZKVQA-LJAQVGFWSA-N 0 0 480.568 4.290 50 0 JIAARN COc1ccc(CNC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1 ZINC000008609174 524055300 /nfs/dbraw/zinc/05/53/00/524055300.db2.gz COAKOZFVIKTNBP-UHFFFAOYSA-N 0 0 451.885 4.181 50 0 JIAARN COc1ccc(CNC(=O)Cn2ncc3c4ccccc4n(Cc4cccc(Cl)c4)c3c2=O)cc1 ZINC000008610954 524056307 /nfs/dbraw/zinc/05/63/07/524056307.db2.gz WATOZEYTAWKOPM-UHFFFAOYSA-N 0 0 486.959 4.378 50 0 JIAARN COc1ccc(CNC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1OC ZINC000022503969 524061683 /nfs/dbraw/zinc/06/16/83/524061683.db2.gz FGFMNOITMHQZCE-UHFFFAOYSA-N 0 0 487.603 4.229 50 0 JIAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nccnc3Sc3ccccc3)C2)c(OC)c1 ZINC000033168869 524064548 /nfs/dbraw/zinc/06/45/48/524064548.db2.gz JJOCAHNJYXCXSF-IBGZPJMESA-N 0 0 464.591 4.178 50 0 JIAARN COc1ccc(CNC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)c(OC)c1 ZINC000008648270 524065048 /nfs/dbraw/zinc/06/50/48/524065048.db2.gz IPESRDPCLWOYLI-UHFFFAOYSA-N 0 0 459.546 4.471 50 0 JIAARN CCc1cccc(C)c1NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccc(C)cc2O1 ZINC000064986431 524065613 /nfs/dbraw/zinc/06/56/13/524065613.db2.gz OHSHBLFSPSRREJ-XMMPIXPASA-N 0 0 480.586 4.469 50 0 JIAARN COc1ccc(CNC(=O)c2cc(NCc3ccccc3)cc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000014731520 524065713 /nfs/dbraw/zinc/06/57/13/524065713.db2.gz NRRZQCYYBCZFKQ-UHFFFAOYSA-N 0 0 479.602 4.022 50 0 JIAARN COc1ccc(CNC(=O)c2ccc(NC(=O)N3CCSc4ncccc43)cc2)cc1OC ZINC000008594381 524066697 /nfs/dbraw/zinc/06/66/97/524066697.db2.gz URYUYZXXLUGFIU-UHFFFAOYSA-N 0 0 464.547 4.173 50 0 JIAARN COc1cccc([C@@H](C)NC(=O)c2cn(C3CCCC3)cc(C(=O)N3CCCCC3)c2=O)c1 ZINC000014984039 524089180 /nfs/dbraw/zinc/08/91/80/524089180.db2.gz SDFBGIVHKVMENY-GOSISDBHSA-N 0 0 451.567 4.089 50 0 JIAARN C[C@@H]1CCCCN1C(=O)c1cn(CCc2ccccn2)cc(C(=O)NC2CCCCCCC2)c1=O ZINC000012217331 524095255 /nfs/dbraw/zinc/09/52/55/524095255.db2.gz IFBPYVANGGVFOY-OAQYLSRUSA-N 0 0 478.637 4.343 50 0 JIAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(CCN1CCOCC1)C3=O ZINC000020308532 524098459 /nfs/dbraw/zinc/09/84/59/524098459.db2.gz DQKAIGYXONWJFI-DEOSSOPVSA-N 0 0 460.574 4.276 50 0 JIAARN C[C@H](CCC(=O)N1CCOCC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000066102112 524116153 /nfs/dbraw/zinc/11/61/53/524116153.db2.gz PJKUHYRTAURVEQ-QUKDRKDGSA-N 0 0 461.687 4.252 50 0 biogenic JIAARN Cc1ccc(C)c(N2CCN(C(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)CC2)c1 ZINC000021882444 524122201 /nfs/dbraw/zinc/12/22/01/524122201.db2.gz LEOANPFXRLVAMA-KRWDZBQOSA-N 0 0 464.635 4.008 50 0 JIAARN Cc1ccc(C)c(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2c[nH]c3ccccc23)c1 ZINC000008618978 524137637 /nfs/dbraw/zinc/13/76/37/524137637.db2.gz WKYPZWZKXPNPER-UHFFFAOYSA-N 0 0 484.585 4.258 50 0 JIAARN Cc1cccc(-n2c(=O)c3sccc3n(Cc3nc(-c4ccccc4Cl)no3)c2=O)c1 ZINC000048986941 524137661 /nfs/dbraw/zinc/13/76/61/524137661.db2.gz QWHMWRXJHLXZQY-UHFFFAOYSA-N 0 0 450.907 4.274 50 0 JIAARN COc1ccc(C[C@]2(CCC(=O)NCc3csc(Cc4ccccc4)n3)CCC(=O)N2)cc1 ZINC000014986807 524159191 /nfs/dbraw/zinc/15/91/91/524159191.db2.gz DYKRIDUIESBTIO-SANMLTNESA-N 0 0 463.603 4.030 50 0 JIAARN COc1cccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000036060265 524180896 /nfs/dbraw/zinc/18/08/96/524180896.db2.gz SWFIPNNBWMYDAD-PKTZIBPZSA-N 0 0 492.959 4.250 50 0 JIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCc4ccccc4)CC(=O)N32)c1 ZINC000002108787 524188662 /nfs/dbraw/zinc/18/86/62/524188662.db2.gz OWGFMPNXCJNULH-WNJJXGMVSA-N 0 0 479.580 4.494 50 0 biogenic JIAARN C[C@@H](C(=O)NCCSCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O ZINC000016322340 524189365 /nfs/dbraw/zinc/18/93/65/524189365.db2.gz RVYIHXGUCUJZFA-AWEZNQCLSA-N 0 0 461.436 4.198 50 0 JIAARN Cc1cccc(C(=O)Nc2cccc([C@H]3OC(=O)N(Cc4ccccc4)[C@H]3C(=O)N3CCOCC3)c2)c1 ZINC000036218754 524219844 /nfs/dbraw/zinc/21/98/44/524219844.db2.gz WPZBNYDTCFGURC-CLJLJLNGSA-N 0 0 499.567 4.168 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccccc2)C(C)C)n1C ZINC000002836754 524230499 /nfs/dbraw/zinc/23/04/99/524230499.db2.gz BSHVXABXDKCVMN-HXUWFJFHSA-N 0 0 488.013 4.335 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)c1cnc(N2CCN(c3ncccn3)CC2)c2ccccc12 ZINC000020104013 524242072 /nfs/dbraw/zinc/24/20/72/524242072.db2.gz HTEFWSRIPATAPT-UHFFFAOYSA-N 0 0 474.952 4.266 50 0 JIAARN COc1ccc(Cn2c(=O)c3sc4ncccc4c3nc2SCC(=O)NCc2ccco2)cc1 ZINC000045923133 524256749 /nfs/dbraw/zinc/25/67/49/524256749.db2.gz RHOYUQVPKQJZGO-UHFFFAOYSA-N 0 0 492.582 4.065 50 0 JIAARN COc1ccc(Cn2cnc3c4cc(F)ccc4n(CC(=O)Nc4ccccc4OC)c3c2=O)cc1 ZINC000016845267 524263382 /nfs/dbraw/zinc/26/33/82/524263382.db2.gz MHMOVRDNGSLRGG-UHFFFAOYSA-N 0 0 486.503 4.195 50 0 JIAARN COc1ccc(Cn2cnc3c4cc(F)ccc4n(CC(=O)Nc4ccccc4)c3c2=O)cc1 ZINC000016845276 524264363 /nfs/dbraw/zinc/26/43/63/524264363.db2.gz KZVHEEYUHBIVDU-UHFFFAOYSA-N 0 0 456.477 4.186 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)COC(=O)c1c2ccccc2nc2c1C[C@H](C)CC2 ZINC000019293559 524270023 /nfs/dbraw/zinc/27/00/23/524270023.db2.gz ZRVUZCBMXKKSFZ-QGZVFWFLSA-N 0 0 473.573 4.230 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000022791006 524275707 /nfs/dbraw/zinc/27/57/07/524275707.db2.gz RGEZTBFIDYBAMO-UHFFFAOYSA-N 0 0 456.590 4.312 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000022804755 524276512 /nfs/dbraw/zinc/27/65/12/524276512.db2.gz JBIRPKUKQJZPJR-UHFFFAOYSA-N 0 0 459.619 4.436 50 0 JIAARN COc1ccccc1-c1nc2cc(=O)[nH]n2c(SCC(=O)Oc2ccc(C(C)(C)C)cc2)n1 ZINC000021885424 524283022 /nfs/dbraw/zinc/28/30/22/524283022.db2.gz JKJGYCURNJDCCR-UHFFFAOYSA-N 0 0 464.547 4.088 50 0 JIAARN Cc1cccc(C)c1NC(=O)CSc1cc(N2CCN(c3ccccc3F)CC2)ncn1 ZINC000049006703 524283089 /nfs/dbraw/zinc/28/30/89/524283089.db2.gz MFLNMMXEVAYIIG-UHFFFAOYSA-N 0 0 451.571 4.290 50 0 JIAARN COc1ccccc1-n1c(=O)n(Cc2cccc(C(F)(F)F)c2)c(=O)c2c(C)cc(C)nc21 ZINC000012446466 524297880 /nfs/dbraw/zinc/29/78/80/524297880.db2.gz NIUGPYRYDOSRAC-UHFFFAOYSA-N 0 0 455.436 4.240 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(F)c(C(N)=O)c3)ccc2C)c(C)c1 ZINC000033063031 524324879 /nfs/dbraw/zinc/32/48/79/524324879.db2.gz YDGARZLIABIUCJ-UHFFFAOYSA-N 0 0 469.538 4.211 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@H]3C(=O)NC3CCCC3)c2)cc1C ZINC000021662453 524327006 /nfs/dbraw/zinc/32/70/06/524327006.db2.gz 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Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc32)c(C)c1 ZINC000020377674 525217459 /nfs/dbraw/zinc/21/74/59/525217459.db2.gz HFFUQWPZDYQBKZ-QHCPKHFHSA-N 0 0 459.571 4.380 50 0 JIAARN Cc1cc(NC(=O)[C@H](Sc2nnc([C@H]3COc4ccccc4O3)n2C)c2ccccc2)no1 ZINC000016801602 525229123 /nfs/dbraw/zinc/22/91/23/525229123.db2.gz GJUHOQSNOCCDKW-UYAOXDASSA-N 0 0 463.519 4.096 50 0 JIAARN CS(=O)(=O)Oc1ccc(Cl)cc1CN(C[C@H]1CCCO1)C(=O)c1ccccc1Cl ZINC000044854771 525230903 /nfs/dbraw/zinc/23/09/03/525230903.db2.gz SJOPNKDVZPNIFM-MRXNPFEDSA-N 0 0 458.363 4.153 50 0 JIAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3[nH]2)cc1Br ZINC000021660747 525235949 /nfs/dbraw/zinc/23/59/49/525235949.db2.gz ZXFVKUKTKNKDAB-ZDUSSCGKSA-N 0 0 452.312 4.302 50 0 JIAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)Cn2nnc(-c3ccccc3C)n2)cc1OC ZINC000008884019 525241189 /nfs/dbraw/zinc/24/11/89/525241189.db2.gz AWEVIYKKPRGCAI-FQEVSTJZSA-N 0 0 488.573 4.105 50 0 JIAARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)cc1 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/nfs/dbraw/zinc/27/97/88/525279788.db2.gz RWWGHROUDPSFRA-HHHXNRCGSA-N 0 0 467.569 4.399 50 0 JIAARN Cc1ccc(NCc2cc3cc4c(cc3n(CC(=O)Nc3cccc(F)c3)c2=O)OCCO4)cc1 ZINC000012414933 525282767 /nfs/dbraw/zinc/28/27/67/525282767.db2.gz AOYYVFMTQVLEJA-UHFFFAOYSA-N 0 0 473.504 4.471 50 0 JIAARN Cc1ccc(NCc2cc3cc4c(cc3n(CC(=O)NCc3ccccc3)c2=O)OCCO4)cc1 ZINC000012414935 525283403 /nfs/dbraw/zinc/28/34/03/525283403.db2.gz QTRWZWBNWVZVOE-UHFFFAOYSA-N 0 0 469.541 4.010 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)c(Br)c1 ZINC000065115299 525305192 /nfs/dbraw/zinc/30/51/92/525305192.db2.gz MPTXJXFYHHVCPY-UHFFFAOYSA-N 0 0 478.368 4.326 50 0 JIAARN C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCC(c3nc4ccccc4s3)CC2)C1=O ZINC000023936251 525316708 /nfs/dbraw/zinc/31/67/08/525316708.db2.gz KZFOZMBTDCZXBQ-HSZRJFAPSA-N 0 0 456.518 4.179 50 0 JIAARN Cc1cc(O)c([C@H](c2cccc(Cl)c2)N2CCN(c3ccccn3)CC2)c(=O)n1Cc1ccco1 ZINC000022698199 525324736 /nfs/dbraw/zinc/32/47/36/525324736.db2.gz SESJYNRZVIUINC-SANMLTNESA-N 0 0 490.991 4.464 50 0 JIAARN CSCCC(=O)N(C)[C@@H](Cc1ccccc1F)C1CCN(C(=O)COc2ccccc2)CC1 ZINC000014881447 525367542 /nfs/dbraw/zinc/36/75/42/525367542.db2.gz RZLHXVFMSKCTOD-DEOSSOPVSA-N 0 0 472.626 4.266 50 0 JIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)cc2)C1 ZINC000009833588 525378144 /nfs/dbraw/zinc/37/81/44/525378144.db2.gz FKQFGVWRXYJVHR-IYBDPMFKSA-N 0 0 465.413 4.046 50 0 JIAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000016753463 525378827 /nfs/dbraw/zinc/37/88/27/525378827.db2.gz UDMNSWBLVKYXIV-FUHWJXTLSA-N 0 0 453.963 4.079 50 0 JIAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(C(C)C)cc4)c(=O)n32)cc1 ZINC000016699890 525385088 /nfs/dbraw/zinc/38/50/88/525385088.db2.gz IAARHHGVXZGRME-XXMKCSCWSA-N 0 0 490.625 4.319 50 0 JIAARN Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)Nc1c(F)cccc1F ZINC000013567057 525397912 /nfs/dbraw/zinc/39/79/12/525397912.db2.gz OBBXMHDXJKCSPF-UHFFFAOYSA-N 0 0 472.513 4.432 50 0 JIAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)cc1OC(C)C ZINC000021726850 525403006 /nfs/dbraw/zinc/40/30/06/525403006.db2.gz GHRMYPYMXYMWMB-LJQANCHMSA-N 0 0 488.523 4.442 50 0 JIAARN COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4ccc(Cl)cc4)c(=O)[nH]c3C2)cc1OC ZINC000064959177 525404672 /nfs/dbraw/zinc/40/46/72/525404672.db2.gz QCEXCGZJUGPEHP-CQSZACIVSA-N 0 0 452.894 4.211 50 0 JIAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cn(C)nc4C)c(Cl)c3N2)cc1 ZINC000012468160 525421903 /nfs/dbraw/zinc/42/19/03/525421903.db2.gz VVRFPZGMAOIQBS-CVEARBPZSA-N 0 0 482.894 4.177 50 0 JIAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)NC(C)C)c(C)c1 ZINC000036122570 525433819 /nfs/dbraw/zinc/43/38/19/525433819.db2.gz IGBUAQICXYDYLR-JTHBVZDNSA-N 0 0 499.677 4.469 50 0 JIAARN Cc1cc(SCC(=O)Nc2cccc(Cl)c2C)nc2ccc(S(=O)(=O)N(C)C)cc12 ZINC000033087811 525434023 /nfs/dbraw/zinc/43/40/23/525434023.db2.gz OYQXYVYRLZZTMJ-UHFFFAOYSA-N 0 0 464.012 4.486 50 0 JIAARN COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCCc2ccccc2)cc1 ZINC000020414013 525441224 /nfs/dbraw/zinc/44/12/24/525441224.db2.gz IBVFCIYVSUDFQM-SANMLTNESA-N 0 0 453.542 4.091 50 0 JIAARN Cc1ccc(OCc2nnc(C(=O)Nc3cccc(C(=O)NCCc4ccco4)c3)s2)cc1 ZINC000033027888 525449886 /nfs/dbraw/zinc/44/98/86/525449886.db2.gz FBXPTQKIKMOYMV-UHFFFAOYSA-N 0 0 462.531 4.243 50 0 JIAARN Cc1ccc(Oc2cc3c(cc2S(=O)(=O)N2CCOCC2)C(=O)Nc2ccc(C)cc2O3)cc1 ZINC000064986830 525473775 /nfs/dbraw/zinc/47/37/75/525473775.db2.gz LXTZBHZPOOPFMF-UHFFFAOYSA-N 0 0 480.542 4.475 50 0 JIAARN COc1ccc2c(COC(=O)/C=C/c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc(=O)oc2c1 ZINC000009647236 525502514 /nfs/dbraw/zinc/50/25/14/525502514.db2.gz OFEAYPRVESGSQW-MDWZMJQESA-N 0 0 497.569 4.123 50 0 JIAARN C[C@H](NS(=O)(=O)c1cccc(C(=O)OCc2cc(-c3ccco3)on2)c1)c1ccccc1 ZINC000027566419 525508488 /nfs/dbraw/zinc/50/84/88/525508488.db2.gz MZEQDXQRASCVDL-INIZCTEOSA-N 0 0 452.488 4.331 50 0 JIAARN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCc3ccccc3C2)c(Cl)c1)c1ccccc1 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/nfs/dbraw/zinc/55/50/42/525555042.db2.gz LOUMQAGMLGMZNU-HNNXBMFYSA-N 0 0 492.022 4.258 50 0 JIAARN Cc1c(C(=O)N2CCCC2)oc2c1-c1nn(CC(=O)N3CCC(Cc4ccccc4)CC3)cc1CC2 ZINC000020510612 525574094 /nfs/dbraw/zinc/57/40/94/525574094.db2.gz WAAFRVIGYPYLEZ-UHFFFAOYSA-N 0 0 486.616 4.267 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022785064 525583468 /nfs/dbraw/zinc/58/34/68/525583468.db2.gz WWOWRMWJSXVSIV-OFVILXPXSA-N 0 0 469.676 4.282 50 0 JIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1cccc(OC)c1)C(=O)N2Cc1cccc(F)c1 ZINC000036166294 525595975 /nfs/dbraw/zinc/59/59/75/525595975.db2.gz SGWZNPAXVCNXAJ-SANMLTNESA-N 0 0 478.545 4.432 50 0 JIAARN COc1ccc2c(c1)c1nc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)n(C)c(=O)c1n2C ZINC000033141835 525603877 /nfs/dbraw/zinc/60/38/77/525603877.db2.gz VOJGIKACEKBGGO-UHFFFAOYSA-N 0 0 476.480 4.183 50 0 JIAARN Cc1c(C(=O)NCC2(c3ccccc3)CCCC2)sc2ncnc(NC[C@@H]3CCS(=O)(=O)C3)c12 ZINC000014990421 525606469 /nfs/dbraw/zinc/60/64/69/525606469.db2.gz KAVDCKVRWJRKKZ-SFHVURJKSA-N 0 0 498.674 4.088 50 0 JIAARN Cc1ccn2c(=O)nc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)nc2c1 ZINC000016689538 525606525 /nfs/dbraw/zinc/60/65/25/525606525.db2.gz MKZHSUBBUFHYBD-SFHVURJKSA-N 0 0 479.562 4.069 50 0 JIAARN C[C@@H]1Oc2ccc(NC(=O)CSc3nnc(-c4ccco4)n3Cc3ccccc3)cc2NC1=O ZINC000008861219 525609621 /nfs/dbraw/zinc/60/96/21/525609621.db2.gz PDJMLBUNYGKXLG-HNNXBMFYSA-N 0 0 475.530 4.037 50 0 JIAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002092337 525614791 /nfs/dbraw/zinc/61/47/91/525614791.db2.gz HNBKFLMKTIMSBH-JLTOFOAXSA-N 0 0 498.841 4.175 50 0 JIAARN Cc1cc2c(cc1S(=O)(=O)Nc1ccc(Sc3ccccn3)c(Cl)c1)NC(=O)CO2 ZINC000012446832 525616057 /nfs/dbraw/zinc/61/60/57/525616057.db2.gz SMAGBMOOESQBMM-UHFFFAOYSA-N 0 0 461.952 4.326 50 0 JIAARN COc1ccc2cc(-c3csc(Cc4nc(-c5ccc6c(c5)OCO6)no4)n3)c(=O)oc2c1 ZINC000033171499 525618921 /nfs/dbraw/zinc/61/89/21/525618921.db2.gz OMZDKFVDNNXOTJ-UHFFFAOYSA-N 0 0 461.455 4.295 50 0 JIAARN 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ZINC000012247340 527606507 /nfs/dbraw/zinc/60/65/07/527606507.db2.gz LSIBXBKNOOPEFA-XMMPIXPASA-N 0 0 462.594 4.256 50 0 JIAARN O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000064959679 527619577 /nfs/dbraw/zinc/61/95/77/527619577.db2.gz FEFYFFGPHRWHPQ-UHFFFAOYSA-N 0 0 464.585 4.405 50 0 JIAARN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 ZINC000033259282 527624672 /nfs/dbraw/zinc/62/46/72/527624672.db2.gz MSVBWHHWGGDRMG-HSZRJFAPSA-N 0 0 471.605 4.063 50 0 JIAARN O[C@@H](COc1ccccc1)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146801 527662570 /nfs/dbraw/zinc/66/25/70/527662570.db2.gz LLCHXWAXCCFIAI-NOZRDPDXSA-N 0 0 452.501 4.400 50 0 JIAARN O=C(C(c1ccccc1)c1ccccc1)N1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000014977819 527668434 /nfs/dbraw/zinc/66/84/34/527668434.db2.gz BHIIVSPWRQABRU-UHFFFAOYSA-N 0 0 476.960 4.462 50 0 JIAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)c12 ZINC000025171187 527682712 /nfs/dbraw/zinc/68/27/12/527682712.db2.gz JFRAUNODQTXHOC-UHFFFAOYSA-N 0 0 467.411 4.389 50 0 JIAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000095947505 535859285 /nfs/dbraw/zinc/85/92/85/535859285.db2.gz IVRDZZCTCOTSKW-KBXCAEBGSA-N 0 0 482.624 4.196 50 0 JIAARN CCc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3cccc(OC)c3)CC2)c1 ZINC000096322650 535903802 /nfs/dbraw/zinc/90/38/02/535903802.db2.gz XMMZJHIVWJBDSR-UHFFFAOYSA-N 0 0 485.631 4.082 50 0 JIAARN O=C(COc1ccc(Br)cc1)Nn1c(=O)scc1-c1ccc(Br)cc1 ZINC000000622923 553712053 /nfs/dbraw/zinc/71/20/53/553712053.db2.gz LBHKCHKZKXCLQG-UHFFFAOYSA-N 0 0 484.169 4.251 50 0 JIAARN Cn1c2nc(SCc3ccccc3Cl)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000000625464 553713950 /nfs/dbraw/zinc/71/39/50/553713950.db2.gz YAMNAFQUZUWFMS-UHFFFAOYSA-N 0 0 461.374 4.081 50 0 JIAARN CCCc1c(C)c2ccc(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)cc2oc1=O ZINC000000627495 553715222 /nfs/dbraw/zinc/71/52/22/553715222.db2.gz YJWVNXRJLBVTEM-HSZRJFAPSA-N 0 0 471.575 4.271 50 0 biogenic JIAARN CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000633893 553719862 /nfs/dbraw/zinc/71/98/62/553719862.db2.gz DVWYZDCSCCIRGJ-UHFFFAOYSA-N 0 0 484.434 4.370 50 0 JIAARN COc1ccc(OC)c(NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000638509 553722638 /nfs/dbraw/zinc/72/26/38/553722638.db2.gz SLNMEDJWEZUZOT-UHFFFAOYSA-N 0 0 492.956 4.326 50 0 JIAARN CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1C(=O)OC ZINC000000649428 553730762 /nfs/dbraw/zinc/73/07/62/553730762.db2.gz DAYUWSJSFSWLDP-UHFFFAOYSA-N 0 0 459.959 4.081 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2Cc2ccccc2)cc1 ZINC000000651087 553732353 /nfs/dbraw/zinc/73/23/53/553732353.db2.gz KYVFDGZMLMCQRY-UHFFFAOYSA-N 0 0 474.542 4.216 50 0 JIAARN COC(=O)c1ccccc1NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000000658945 553737699 /nfs/dbraw/zinc/73/76/99/553737699.db2.gz HRANEFFOEXETSG-UHFFFAOYSA-N 0 0 472.950 4.345 50 0 JIAARN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc(I)c1OC ZINC000000661294 553739425 /nfs/dbraw/zinc/73/94/25/553739425.db2.gz DAEWGOJOJBPXNK-WJDWOHSUSA-N 0 0 494.354 4.303 50 0 JIAARN CN1C(=S)N(c2ccccc2)C(=O)/C1=C\c1cn(CC(=O)NC2CCCC2)c2ccccc12 ZINC000000664870 553741373 /nfs/dbraw/zinc/74/13/73/553741373.db2.gz FMBJGNCZRKJDAR-HZHRSRAPSA-N 0 0 458.587 4.305 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2cc(C)cc(C)c2)cc1OC ZINC000000670222 553744832 /nfs/dbraw/zinc/74/48/32/553744832.db2.gz BCFICINADLJJOX-UHFFFAOYSA-N 0 0 472.538 4.294 50 0 JIAARN Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(Br)c1 ZINC000000673709 553746701 /nfs/dbraw/zinc/74/67/01/553746701.db2.gz NEOPDEAQCMHUSE-UHFFFAOYSA-N 0 0 481.412 4.340 50 0 JIAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Br ZINC000000675305 553748935 /nfs/dbraw/zinc/74/89/35/553748935.db2.gz CCRDYMCSRROSGJ-UHFFFAOYSA-N 0 0 481.412 4.020 50 0 JIAARN CCOC(=O)CSc1nc2ccc(Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cc2s1 ZINC000000680536 553753569 /nfs/dbraw/zinc/75/35/69/553753569.db2.gz WEYJQZZTHMPTFU-UHFFFAOYSA-N 0 0 485.639 4.081 50 0 JIAARN CCc1ccccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccc(Cl)cc2)n1C ZINC000000687495 553757503 /nfs/dbraw/zinc/75/75/03/553757503.db2.gz LNDDTAKNOUFBBX-CQSZACIVSA-N 0 0 457.987 4.253 50 0 JIAARN Cc1ccc(C)c(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccc4c(c3)OCO4)C(C)C)n2C)c1 ZINC000000687524 553757541 /nfs/dbraw/zinc/75/75/41/553757541.db2.gz IYUNXAHICQUMBQ-QFIPXVFZSA-N 0 0 495.605 4.019 50 0 JIAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000000707281 553764150 /nfs/dbraw/zinc/76/41/50/553764150.db2.gz AZIAHCPAHLSNSI-OYKKKHCWSA-N 0 0 485.565 4.100 50 0 JIAARN Cc1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c(-n2nc3ccccc3n2)c1 ZINC000000707353 553764451 /nfs/dbraw/zinc/76/44/51/553764451.db2.gz SGKWSFKFEVHJIB-UHFFFAOYSA-N 0 0 490.585 4.369 50 0 JIAARN COc1ccc2oc(=O)c(C(=O)NCCc3c(C)[nH]c4ccc(OC(F)(F)F)cc43)cc2c1 ZINC000000720110 553771778 /nfs/dbraw/zinc/77/17/78/553771778.db2.gz HSWBITURAMAVPN-UHFFFAOYSA-N 0 0 460.408 4.462 50 0 biogenic,in-vitro JIAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(N3CCCC3)c(C(=O)NCC(C)C)c2)cc1 ZINC000000747397 553776889 /nfs/dbraw/zinc/77/68/89/553776889.db2.gz CIJSZVUBCGNNKK-UHFFFAOYSA-N 0 0 452.555 4.493 50 0 JIAARN CCOc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2ccc(F)cc2)CCS3)cc1 ZINC000000755472 553777750 /nfs/dbraw/zinc/77/77/50/553777750.db2.gz GDWDBWFYJHTDGG-UHFFFAOYSA-N 0 0 457.552 4.149 50 0 JIAARN CCOc1ccc(CCNC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1OCC ZINC000000784723 553780706 /nfs/dbraw/zinc/78/07/06/553780706.db2.gz YZBXUIZFPAJULB-DEOSSOPVSA-N 0 0 486.568 4.050 50 0 JIAARN CCOc1ccc(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000821547 553786667 /nfs/dbraw/zinc/78/66/67/553786667.db2.gz ZQAFIOIRJHPYHW-UHFFFAOYSA-N 0 0 484.574 4.245 50 0 JIAARN COc1ccc(/C=C(/NC(=O)c2ccc(Br)o2)C(=O)NCc2ccccc2)cc1 ZINC000000823998 553787293 /nfs/dbraw/zinc/78/72/93/553787293.db2.gz BEJCETXKYIQJCS-QGOAFFKASA-N 0 0 455.308 4.138 50 0 JIAARN COc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000000827697 553789282 /nfs/dbraw/zinc/78/92/82/553789282.db2.gz OQQFPVRALMHGRO-UHFFFAOYSA-N 0 0 458.967 4.203 50 0 JIAARN CCOC(=O)[C@@H](C)Oc1cc(O[C@H](C)C(=O)OCC)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000000829484 553790019 /nfs/dbraw/zinc/79/00/19/553790019.db2.gz CSPOYJOHOGVMGD-HZPDHXFCSA-N 0 0 454.475 4.121 50 0 biogenic JIAARN COc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000842990 553793897 /nfs/dbraw/zinc/79/38/97/553793897.db2.gz SKBYAYZENHPZOT-UHFFFAOYSA-N 0 0 484.574 4.163 50 0 JIAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2I)NC(=O)N1C ZINC000000858244 553801440 /nfs/dbraw/zinc/80/14/40/553801440.db2.gz XTTSPYMNJGQAPB-GOSISDBHSA-N 0 0 462.287 4.005 50 0 JIAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4ccco4)c3N2)cc1OC ZINC000000866069 553805458 /nfs/dbraw/zinc/80/54/58/553805458.db2.gz MEFSUWZHYRIRCN-CRAIPNDOSA-N 0 0 450.417 4.084 50 0 JIAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCC4)c(Cl)c3N2)cc1OC ZINC000000867127 553807190 /nfs/dbraw/zinc/80/71/90/553807190.db2.gz HBWUGFIMWDRMMN-IUODEOHRSA-N 0 0 458.868 4.450 50 0 JIAARN COc1ccc(C(=O)CSc2nnc(CNc3ccc(F)cc3)n2C[C@H]2CCCO2)cc1 ZINC000000899971 553833663 /nfs/dbraw/zinc/83/36/63/553833663.db2.gz SSYHYARDTVTCTR-HXUWFJFHSA-N 0 0 456.543 4.192 50 0 JIAARN Cc1ccc(-c2nnc(NCc3ccccc3)c3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000000902521 553835836 /nfs/dbraw/zinc/83/58/36/553835836.db2.gz QDVKGQPIFIYZFH-UHFFFAOYSA-N 0 0 474.586 4.238 50 0 JIAARN Cc1ccc(N(Cc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)S(C)(=O)=O)cc1C ZINC000000916611 553847720 /nfs/dbraw/zinc/84/77/20/553847720.db2.gz VBDXHRNSFGGTMY-UHFFFAOYSA-N 0 0 495.620 4.371 50 0 JIAARN NC(=O)c1c2c(sc1NC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N3)CCC2 ZINC000000919719 553850943 /nfs/dbraw/zinc/85/09/43/553850943.db2.gz NCNIWAPIKKFPGN-QMTHXVAHSA-N 0 0 465.457 4.038 50 0 JIAARN Cc1c(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c(=O)n(-c2ccccc2)n1C ZINC000000919605 553851023 /nfs/dbraw/zinc/85/10/23/553851023.db2.gz OZUYTOHEESBMNH-MAUKXSAKSA-N 0 0 486.454 4.187 50 0 JIAARN COc1cccc(-n2c(SCC(=O)Nc3cc(OC)ccc3OC)nc3ccccc3c2=O)c1 ZINC000000920391 553853251 /nfs/dbraw/zinc/85/32/51/553853251.db2.gz QWGMFPSRUUPCMB-UHFFFAOYSA-N 0 0 477.542 4.142 50 0 JIAARN COc1ccc(-n2c(COc3ccc4ccccc4c3)nnc2SCCN2CCOCC2)cc1 ZINC000000924658 553859914 /nfs/dbraw/zinc/85/99/14/553859914.db2.gz GOORMJJWRUPMLM-UHFFFAOYSA-N 0 0 476.602 4.432 50 0 JIAARN CCOC(=O)c1c(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CCC2 ZINC000000939156 553875796 /nfs/dbraw/zinc/87/57/96/553875796.db2.gz IPFMZYKKUDPAGO-QGZVFWFLSA-N 0 0 454.548 4.063 50 0 JIAARN COC(=O)c1ccccc1NC(=S)N[C@@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl ZINC000000939596 553875803 /nfs/dbraw/zinc/87/58/03/553875803.db2.gz VDIAYXMVBDNUKA-QGZVFWFLSA-N 0 0 474.797 4.194 50 0 JIAARN CC(C)c1ccccc1NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000941703 553877294 /nfs/dbraw/zinc/87/72/94/553877294.db2.gz ROQAMMOQVMWLJD-XMMPIXPASA-N 0 0 470.525 4.199 50 0 JIAARN Cc1ccc(C)c(NC2=C(Cl)C(=O)N(c3ccc(I)cc3)C2=O)c1 ZINC000000947625 553879623 /nfs/dbraw/zinc/87/96/23/553879623.db2.gz WELFAWZESNTAGM-UHFFFAOYSA-N 0 0 452.679 4.344 50 0 JIAARN CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccnc2)ccc1OCc1ccccc1 ZINC000000956690 553884229 /nfs/dbraw/zinc/88/42/29/553884229.db2.gz MZVVURNQSDVWEH-XMMPIXPASA-N 0 0 474.586 4.491 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cccc3c2cccc3S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000000969724 553886974 /nfs/dbraw/zinc/88/69/74/553886974.db2.gz FUTQNSCCQLFKJB-UHFFFAOYSA-N 0 0 498.582 4.459 50 0 JIAARN COc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000000972319 553887825 /nfs/dbraw/zinc/88/78/25/553887825.db2.gz PBUTWXPJFZJKHF-UHFFFAOYSA-N 0 0 481.574 4.104 50 0 JIAARN COc1ccc(/C=C2\N=C(c3cc(I)ccc3Cl)OC2=O)cc1OC ZINC000000975644 553888442 /nfs/dbraw/zinc/88/84/42/553888442.db2.gz FPEXZGLQMZMFFU-AUWJEWJLSA-N 0 0 469.662 4.306 50 0 JIAARN CCOc1ccc(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)cc1 ZINC000000978532 553890016 /nfs/dbraw/zinc/89/00/16/553890016.db2.gz PTMMHUAFGCFGPN-UHFFFAOYSA-N 0 0 453.498 4.013 50 0 JIAARN CCc1ccc(N(CC(=O)Nc2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000982709 553891737 /nfs/dbraw/zinc/89/17/37/553891737.db2.gz SMCMCJGVYHKQDO-UHFFFAOYSA-N 0 0 451.548 4.041 50 0 JIAARN COc1ccc(/C=C2/N=C(c3cc(I)ccc3Cl)OC2=O)c(OC)c1OC ZINC000000994299 553896620 /nfs/dbraw/zinc/89/66/20/553896620.db2.gz QJCMNKGKORPLJH-RIYZIHGNSA-N 0 0 499.688 4.315 50 0 JIAARN O=C(NCc1cccnc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000001099386 553907632 /nfs/dbraw/zinc/90/76/32/553907632.db2.gz SNNCACZSQDJGQB-UHFFFAOYSA-N 0 0 457.555 4.407 50 0 JIAARN O=C(CSc1nnnn1-c1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000001105662 553908657 /nfs/dbraw/zinc/90/86/57/553908657.db2.gz FXQPNYFTRUOIEK-UHFFFAOYSA-N 0 0 473.381 4.279 50 0 JIAARN O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccco1 ZINC000001150276 553916745 /nfs/dbraw/zinc/91/67/45/553916745.db2.gz ZZYZPHVNXNCGTJ-UHFFFAOYSA-N 0 0 472.872 4.464 50 0 JIAARN COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000001173457 553923344 /nfs/dbraw/zinc/92/33/44/553923344.db2.gz DJGDQWVZXKBMEM-UHFFFAOYSA-N 0 0 470.616 4.237 50 0 JIAARN COc1ccc(C)cc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000001174149 553924378 /nfs/dbraw/zinc/92/43/78/553924378.db2.gz FEYFGUXWKVWMNP-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)c2ccccc2)cc1 ZINC000001174088 553924420 /nfs/dbraw/zinc/92/44/20/553924420.db2.gz KEXMBEMYKCWDTN-UHFFFAOYSA-N 0 0 460.939 4.191 50 0 JIAARN O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1cccc(I)c1 ZINC000001181231 553928763 /nfs/dbraw/zinc/92/87/63/553928763.db2.gz ROXKDYUXFJHSTC-UHFFFAOYSA-N 0 0 451.333 4.018 50 0 JIAARN COc1ccc(CN2C(=S)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000001185085 553930294 /nfs/dbraw/zinc/93/02/94/553930294.db2.gz AZKQTBJUEMSIGL-QFIPXVFZSA-N 0 0 463.534 4.365 50 0 JIAARN CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000001917102 554004157 /nfs/dbraw/zinc/00/41/57/554004157.db2.gz WJFRIPJCUJYBLN-XMMPIXPASA-N 0 0 472.497 4.281 50 0 JIAARN COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21 ZINC000002060782 554017085 /nfs/dbraw/zinc/01/70/85/554017085.db2.gz IHFRKPSUZWYUCM-LMGFAJPXSA-N 0 0 488.337 4.376 50 0 JIAARN COc1ccc2c(c1)c(C(=O)CN1C[C@H]3C[C@@H](C1)Cn1c(=O)cccc13)c(C)n2Cc1ccccc1 ZINC000002091356 554034755 /nfs/dbraw/zinc/03/47/55/554034755.db2.gz WFRREHKBEBXWBX-XZOQPEGZSA-N 0 0 481.596 4.470 50 0 biogenic JIAARN CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(CC)cc(=O)oc2c1C ZINC000002092134 554035526 /nfs/dbraw/zinc/03/55/26/554035526.db2.gz KHTLOKFHBBVEPZ-NRFANRHFSA-N 0 0 471.575 4.415 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)cc1 ZINC000002094363 554038385 /nfs/dbraw/zinc/03/83/85/554038385.db2.gz LGVMJKCDBSTUEM-LJQANCHMSA-N 0 0 491.565 4.273 50 0 JIAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)CC(=O)N23)c1 ZINC000002107810 554047601 /nfs/dbraw/zinc/04/76/01/554047601.db2.gz GAUSCMGYPNKQQV-NEKDWFFYSA-N 0 0 479.536 4.090 50 0 biogenic JIAARN CCCCOCCCN1CC(=O)N2[C@H](c3ccccc3OCC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002110014 554049310 /nfs/dbraw/zinc/04/93/10/554049310.db2.gz RMECGAJLQSXPKZ-RBJSKKJNSA-N 0 0 489.616 4.458 50 0 biogenic JIAARN Cc1c2ccc(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000002110760 554049693 /nfs/dbraw/zinc/04/96/93/554049693.db2.gz GBHPWWJUMFPQSY-LYZGTLIUSA-N 0 0 461.558 4.225 50 0 biogenic JIAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)N4CC[C@]5(O)CCCC[C@@H]5C4)ccc23)cc1 ZINC000002112221 554050860 /nfs/dbraw/zinc/05/08/60/554050860.db2.gz QNTYLYQFGRWIJX-PIIWDFAUSA-N 0 0 477.557 4.309 50 0 biogenic JIAARN CCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(OCC)c(OC)c2)C1=O ZINC000002118127 554054241 /nfs/dbraw/zinc/05/42/41/554054241.db2.gz VCMGWWNYBNXDCP-CUNXSJBXSA-N 0 0 475.589 4.450 50 0 biogenic JIAARN CC(C)N1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(Br)c2)C1=O ZINC000002120410 554055368 /nfs/dbraw/zinc/05/53/68/554055368.db2.gz ZHJUCBFZQBCMTD-UGKGYDQZSA-N 0 0 452.352 4.024 50 0 biogenic JIAARN CCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002148785 554068073 /nfs/dbraw/zinc/06/80/73/554068073.db2.gz SJLDTZFEEPBZGW-OAQYLSRUSA-N 0 0 471.575 4.271 50 0 JIAARN CCOC(=O)c1sc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)c(C(=O)OCC)c1C ZINC000002208374 554093681 /nfs/dbraw/zinc/09/36/81/554093681.db2.gz KQGJSPZJQYCPIT-UHFFFAOYSA-N 0 0 457.504 4.385 50 0 JIAARN COc1cc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc(Cl)c1OC(C)=O ZINC000002212514 554096143 /nfs/dbraw/zinc/09/61/43/554096143.db2.gz NKKKQWBXUARWAS-CHHVJCJISA-N 0 0 450.672 4.381 50 0 JIAARN CCOC(=O)[C@H](C)Sc1nc2ccc(I)cc2c(=O)n1Cc1ccccc1 ZINC000002212766 554096319 /nfs/dbraw/zinc/09/63/19/554096319.db2.gz BNBAKYAPMFKSKY-ZDUSSCGKSA-N 0 0 494.354 4.093 50 0 JIAARN CCOC(=O)[C@@H](C)Sc1nc2ccc(I)cc2c(=O)n1Cc1ccccc1 ZINC000002212765 554096356 /nfs/dbraw/zinc/09/63/56/554096356.db2.gz BNBAKYAPMFKSKY-CYBMUJFWSA-N 0 0 494.354 4.093 50 0 JIAARN CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(O)c(OC)c2)s1 ZINC000002222740 554101883 /nfs/dbraw/zinc/10/18/83/554101883.db2.gz HGOJLMOMTLVGDD-IBGZPJMESA-N 0 0 467.478 4.200 50 0 JIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccc(F)cc2)cc1 ZINC000002226002 554103324 /nfs/dbraw/zinc/10/33/24/554103324.db2.gz CLIKOZKILOLKRJ-QFIPXVFZSA-N 0 0 463.534 4.365 50 0 JIAARN CCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(N3C[C@@H](C)O[C@H](C)C3)c2cc1OC ZINC000002231139 554105277 /nfs/dbraw/zinc/10/52/77/554105277.db2.gz SBALXOUCUWOAJC-HZPDHXFCSA-N 0 0 453.539 4.335 50 0 JIAARN CC1(C)Cc2c3c(N)c(C(=O)Nc4ccccc4Cl)sc3nc(N3CCOCC3)c2CO1 ZINC000002236746 554107968 /nfs/dbraw/zinc/10/79/68/554107968.db2.gz IBNFKNAVQJRVHT-UHFFFAOYSA-N 0 0 472.998 4.472 50 0 JIAARN CCCc1cc(=O)oc2cc(OC(=O)[C@@H](CC)NS(=O)(=O)c3ccc(C)cc3)c(Cl)cc12 ZINC000002245152 554110832 /nfs/dbraw/zinc/11/08/32/554110832.db2.gz VIDGEMJXQBIYMP-LJQANCHMSA-N 0 0 477.966 4.370 50 0 JIAARN Cc1cccc(-c2nc3s/c(=C4/c5ccccc5N(Cc5ccc(Cl)cc5)C4=O)c(=O)n3n2)c1 ZINC000002245352 554111095 /nfs/dbraw/zinc/11/10/95/554111095.db2.gz FZGBPGVCTPCLSL-DQRAZIAOSA-N 0 0 484.968 4.245 50 0 JIAARN Cc1sc2nc(SCC(=O)Nc3ccc(C)cc3Br)n(C)c(=O)c2c1C ZINC000002263882 554123656 /nfs/dbraw/zinc/12/36/56/554123656.db2.gz FQYDBALVICODRT-UHFFFAOYSA-N 0 0 452.399 4.414 50 0 JIAARN CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000002272103 554127628 /nfs/dbraw/zinc/12/76/28/554127628.db2.gz MBDUISGPCXSUOV-KRWDZBQOSA-N 0 0 450.335 4.249 50 0 JIAARN Cc1nc(Nc2c(Cl)cc(S(N)(=O)=O)cc2Cl)sc1C(=O)Nc1ccccc1 ZINC000002293534 554136813 /nfs/dbraw/zinc/13/68/13/554136813.db2.gz NVBXDAWUHJFUAN-UHFFFAOYSA-N 0 0 457.364 4.402 50 0 JIAARN Cc1ccc(C)c(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NCCO)c3)c3ccccc32)c1 ZINC000002295699 554137490 /nfs/dbraw/zinc/13/74/90/554137490.db2.gz UPRONVOZHIKPKB-UHFFFAOYSA-N 0 0 462.575 4.236 50 0 JIAARN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000002311670 554143736 /nfs/dbraw/zinc/14/37/36/554143736.db2.gz IZYASTVBCVBFJY-OAQYLSRUSA-N 0 0 483.977 4.471 50 0 JIAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1ccccc1Br ZINC000002323250 554148155 /nfs/dbraw/zinc/14/81/55/554148155.db2.gz OCZKVBOIORPIJF-UHFFFAOYSA-N 0 0 470.352 4.475 50 0 JIAARN COc1ccc(OC)c(-n2c(N)c(C(=O)NCc3ccc(F)cc3)c3nc4ccccc4nc32)c1 ZINC000002360824 554165575 /nfs/dbraw/zinc/16/55/75/554165575.db2.gz VTDPPEUUOFKZLA-UHFFFAOYSA-N 0 0 471.492 4.242 50 0 JIAARN COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c1O ZINC000002377595 554174484 /nfs/dbraw/zinc/17/44/84/554174484.db2.gz DTYLLGHDKLUTBW-ZDQFFALBSA-N 0 0 466.562 4.033 50 0 JIAARN COc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)c(OC)c1 ZINC000002380569 554175307 /nfs/dbraw/zinc/17/53/07/554175307.db2.gz PDUHOTPQXULJNB-UHFFFAOYSA-N 0 0 455.927 4.217 50 0 JIAARN CC[C@H](C(=O)c1ccc(Cl)cc1)[C@H](c1ccc(OC)c(OC)c1)C(C(=O)OC)C(=O)OC ZINC000002400065 554185326 /nfs/dbraw/zinc/18/53/26/554185326.db2.gz DHVMVVNERQBUOX-PXNSSMCTSA-N 0 0 462.926 4.312 50 0 JIAARN Cc1ccc(S(=O)(=O)c2c(N)n(CCCOC(C)C)c3nc4ccccc4nc32)cc1C ZINC000002401505 554186048 /nfs/dbraw/zinc/18/60/48/554186048.db2.gz UOJLUQJBESNWCR-UHFFFAOYSA-N 0 0 452.580 4.431 50 0 JIAARN O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1cc(Cl)ccc1Cl ZINC000002415374 554194500 /nfs/dbraw/zinc/19/45/00/554194500.db2.gz FITSNZLTVMHLNI-UHFFFAOYSA-N 0 0 461.334 4.414 50 0 JIAARN COc1ccccc1CN1CN(S(=O)(=O)c2ccc(C)cc2C)c2nc3ccccc3nc21 ZINC000002416854 554195690 /nfs/dbraw/zinc/19/56/90/554195690.db2.gz OECQPDNDFHLZNE-UHFFFAOYSA-N 0 0 460.559 4.428 50 0 JIAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc(Br)c2)N1C[C@@H]1CCCO1 ZINC000002420339 554197926 /nfs/dbraw/zinc/19/79/26/554197926.db2.gz RLIAFSPAXGIAEH-KXBFYZLASA-N 0 0 458.283 4.419 50 0 JIAARN CC(C)OCCCNC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc21 ZINC000002425384 554200902 /nfs/dbraw/zinc/20/09/02/554200902.db2.gz VDRNMGZXGIFWTH-UHFFFAOYSA-N 0 0 482.382 4.463 50 0 JIAARN COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(C)s2)cc(OC)c1OC ZINC000002426723 554201950 /nfs/dbraw/zinc/20/19/50/554201950.db2.gz JAXAKRZRTNDGMB-IBGZPJMESA-N 0 0 479.514 4.037 50 0 JIAARN COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc(OC)c1OC ZINC000002426717 554201985 /nfs/dbraw/zinc/20/19/85/554201985.db2.gz XTNAPEZHWYXKMD-VFNWGFHPSA-N 0 0 485.920 4.196 50 0 JIAARN CC(C)Sc1nc2sc3c(c2c(SCC(=O)NC[C@@H]2CCCO2)n1)CC(C)(C)OC3 ZINC000002433014 554206225 /nfs/dbraw/zinc/20/62/25/554206225.db2.gz YNRNQGMOYZEKNU-ZDUSSCGKSA-N 0 0 467.682 4.430 50 0 JIAARN COc1cc2c(cc1OC)-c1cc(N(C(C)=O)c3ccc4c5c(cccc53)CC4)nc(=O)n1CC2 ZINC000002445780 554213107 /nfs/dbraw/zinc/21/31/07/554213107.db2.gz GTMFVOYEEOLOFW-UHFFFAOYSA-N 0 0 467.525 4.420 50 0 biogenic JIAARN CCCC(=O)N(c1ccc2oc(C)c(C(=O)OC)c2c1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000002483513 554226447 /nfs/dbraw/zinc/22/64/47/554226447.db2.gz INMWIRLYOWRBDQ-UHFFFAOYSA-N 0 0 459.520 4.449 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)NC(=O)NCc1ccccc1 ZINC000002618242 554242571 /nfs/dbraw/zinc/24/25/71/554242571.db2.gz JRXIGSKDUKCEOC-UHFFFAOYSA-N 0 0 478.961 4.157 50 0 JIAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(N(C)C)cc3)cc2C1=O ZINC000002633985 554255065 /nfs/dbraw/zinc/25/50/65/554255065.db2.gz YONSUUGCCLWPEX-QGZVFWFLSA-N 0 0 471.513 4.046 50 0 JIAARN C[C@@H](OC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000002641206 554260399 /nfs/dbraw/zinc/26/03/99/554260399.db2.gz QVHCMULGASRZGP-GOSISDBHSA-N 0 0 469.497 4.495 50 0 JIAARN O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000002645090 554262753 /nfs/dbraw/zinc/26/27/53/554262753.db2.gz JTUNAGDVWBDYAP-ZDUSSCGKSA-N 0 0 472.832 4.380 50 0 JIAARN COc1cc2c(cc1NC(=O)CN1C(=O)N[C@](C)(c3ccc(C)cc3)C1=O)oc1ccccc12 ZINC000002646755 554264238 /nfs/dbraw/zinc/26/42/38/554264238.db2.gz XLXJTVFQYBZVMY-AREMUKBSSA-N 0 0 457.486 4.309 50 0 JIAARN COc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2[C@H](C)N2CCCCC2)cc1 ZINC000002649429 554265845 /nfs/dbraw/zinc/26/58/45/554265845.db2.gz DSLWZJWUVNXZTA-KRWDZBQOSA-N 0 0 495.605 4.282 50 0 JIAARN CCOc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2-c2cccc(OC)c2)cc1 ZINC000002664656 554277677 /nfs/dbraw/zinc/27/76/77/554277677.db2.gz NZFXUBSQIYTIGM-UHFFFAOYSA-N 0 0 486.557 4.196 50 0 JIAARN O=C(CCn1c(=O)c2ccccc2n(Cc2ccc(Cl)cc2)c1=O)NCc1ccccc1Cl ZINC000002686507 554283228 /nfs/dbraw/zinc/28/32/28/554283228.db2.gz GXBZTTBFEHGMCQ-UHFFFAOYSA-N 0 0 482.367 4.225 50 0 JIAARN COCCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2c3ccccc3sc2c1=O ZINC000002687382 554283400 /nfs/dbraw/zinc/28/34/00/554283400.db2.gz LTOZKNQWXLEZNM-UHFFFAOYSA-N 0 0 497.598 4.165 50 0 JIAARN O=C(Cn1cc(C(=O)c2ccc(Cl)cc2)c(=O)c2cc3c(cc21)OCO3)Nc1ccc(F)cc1 ZINC000002688350 554284321 /nfs/dbraw/zinc/28/43/21/554284321.db2.gz GYORMEXUXYSEGS-UHFFFAOYSA-N 0 0 478.863 4.392 50 0 JIAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(OC)ccc32)cc1 ZINC000002688501 554284554 /nfs/dbraw/zinc/28/45/54/554284554.db2.gz UAMDTJHUEYYBBO-UHFFFAOYSA-N 0 0 460.461 4.028 50 0 JIAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3cc4c(cc3c2=O)OCO4)cc1C ZINC000002690193 554285414 /nfs/dbraw/zinc/28/54/14/554285414.db2.gz PEISOMZMVDIVNT-UHFFFAOYSA-N 0 0 472.472 4.356 50 0 JIAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(OC)c3)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000002690753 554285947 /nfs/dbraw/zinc/28/59/47/554285947.db2.gz GRMDCLKBUZLUGD-UHFFFAOYSA-N 0 0 484.508 4.171 50 0 JIAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1OC ZINC000002690704 554285951 /nfs/dbraw/zinc/28/59/51/554285951.db2.gz JGCGMAJWXIGQSF-UHFFFAOYSA-N 0 0 478.451 4.167 50 0 JIAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccc(F)cc3c2=O)cc1 ZINC000002690658 554285988 /nfs/dbraw/zinc/28/59/88/554285988.db2.gz RLXNMYNEGMUPOH-UHFFFAOYSA-N 0 0 472.472 4.301 50 0 aggregator JIAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(OC)c(OC)cc32)cc1 ZINC000002690678 554286016 /nfs/dbraw/zinc/28/60/16/554286016.db2.gz YEKHBRHJXXRBRC-UHFFFAOYSA-N 0 0 486.524 4.205 50 0 JIAARN COc1ccc(C(=O)c2cn(Cc3ccccc3OC)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000002691259 554287146 /nfs/dbraw/zinc/28/71/46/554287146.db2.gz BFPQNRHTYRABHW-UHFFFAOYSA-N 0 0 459.498 4.315 50 0 JIAARN Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc(C)ccc32)c(C)c1 ZINC000002693445 554290658 /nfs/dbraw/zinc/29/06/58/554290658.db2.gz PTIKEZMXTFOWDD-UHFFFAOYSA-N 0 0 460.555 4.398 50 0 JIAARN O=C(Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)ccc21)Nc1cccc(Cl)c1 ZINC000002699083 554293429 /nfs/dbraw/zinc/29/34/29/554293429.db2.gz OTMUVPFLOLOMAE-UHFFFAOYSA-N 0 0 470.909 4.266 50 0 JIAARN Cc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000002713021 554298329 /nfs/dbraw/zinc/29/83/29/554298329.db2.gz UXPWKBDRLLVXPG-IVNHJSRESA-N 0 0 465.578 4.182 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccc(C)cc2)C3=O)cc1 ZINC000002716420 554301890 /nfs/dbraw/zinc/30/18/90/554301890.db2.gz LGNAOSJXHOHBGC-UHFFFAOYSA-N 0 0 472.541 4.388 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)cc1 ZINC000002717853 554303057 /nfs/dbraw/zinc/30/30/57/554303057.db2.gz VBUFPERSCNHZQA-UHFFFAOYSA-N 0 0 483.937 4.082 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(C)cc2)SCC3)cc1 ZINC000002719748 554304599 /nfs/dbraw/zinc/30/45/99/554304599.db2.gz KADMCXKLLIYEFP-UHFFFAOYSA-N 0 0 453.589 4.319 50 0 JIAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 ZINC000002720864 554306655 /nfs/dbraw/zinc/30/66/55/554306655.db2.gz YHFRAUGMNTXTLD-UHFFFAOYSA-N 0 0 488.500 4.466 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000002723416 554308908 /nfs/dbraw/zinc/30/89/08/554308908.db2.gz MSUKKIYEIQSAMD-UHFFFAOYSA-N 0 0 468.922 4.467 50 0 JIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1 ZINC000002723575 554309361 /nfs/dbraw/zinc/30/93/61/554309361.db2.gz NATQJTFEKKHFAS-GFCCVEGCSA-N 0 0 466.972 4.267 50 0 JIAARN COc1ccc(CC(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)cc1OC ZINC000002724464 554311017 /nfs/dbraw/zinc/31/10/17/554311017.db2.gz UWTQOJCXNPNVNE-VWLOTQADSA-N 0 0 450.922 4.470 50 0 JIAARN COCCNC(=O)c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000002755343 554327924 /nfs/dbraw/zinc/32/79/24/554327924.db2.gz BVCBDDCXBSAZHB-RYUDHWBXSA-N 0 0 481.700 4.336 50 0 JIAARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000002754751 554327941 /nfs/dbraw/zinc/32/79/41/554327941.db2.gz JFZFRVPYCNGYSX-UHFFFAOYSA-N 0 0 450.516 4.421 50 0 JIAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002773783 554338081 /nfs/dbraw/zinc/33/80/81/554338081.db2.gz UMXJYIYMWUBUKH-UHFFFAOYSA-N 0 0 459.351 4.437 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc3c4ccccc4n(C)c3n1)CCCC2 ZINC000002775949 554339518 /nfs/dbraw/zinc/33/95/18/554339518.db2.gz SOKJZGSUNGNRJU-UHFFFAOYSA-N 0 0 481.603 4.364 50 0 JIAARN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nn1c(C)nc2sc3c(c2c1=O)CCCCCC3 ZINC000002780689 554341746 /nfs/dbraw/zinc/34/17/46/554341746.db2.gz KOGAFDUJHXVQRD-UHFFFAOYSA-N 0 0 487.935 4.373 50 0 JIAARN Cc1c(Br)c(C(F)F)nn1[C@H](C)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000002781964 554342576 /nfs/dbraw/zinc/34/25/76/554342576.db2.gz BVEZRBOAAZJZHX-MRVPVSSYSA-N 0 0 493.355 4.105 50 0 JIAARN O=C(Nc1ncn(Cc2cccc(C(F)(F)F)c2)n1)c1ccn(COc2ccc(Cl)cc2)n1 ZINC000002786618 554344490 /nfs/dbraw/zinc/34/44/90/554344490.db2.gz MRRVEAGFOMZZOP-UHFFFAOYSA-N 0 0 476.846 4.484 50 0 JIAARN CCOc1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)ccc1OC(F)F ZINC000002793899 554349570 /nfs/dbraw/zinc/34/95/70/554349570.db2.gz BIVJXTVCEKCNAH-UHFFFAOYSA-N 0 0 483.320 4.496 50 0 JIAARN COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1cccc(Cl)c1 ZINC000002797010 554351012 /nfs/dbraw/zinc/35/10/12/554351012.db2.gz NRJZKAIXKYAMSU-UHFFFAOYSA-N 0 0 457.910 4.070 50 0 JIAARN Cc1nn([C@H](C)C2N=NC(=S)N2c2cnn(Cc3ccc(C)cc3)c2)c(C)c1Br ZINC000002809604 554359625 /nfs/dbraw/zinc/35/96/25/554359625.db2.gz SZEUHSJOJDRIPQ-OAHLLOKOSA-N 0 0 472.416 4.294 50 0 JIAARN O=C(CSc1nnc(NC(=O)c2ccccc2Br)s1)N1CCc2ccccc21 ZINC000002812748 554361216 /nfs/dbraw/zinc/36/12/16/554361216.db2.gz HPIAXLHFMYHBGJ-UHFFFAOYSA-N 0 0 475.393 4.234 50 0 JIAARN Cc1ccccc1CSCCNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000002813911 554361856 /nfs/dbraw/zinc/36/18/56/554361856.db2.gz ZGOSIRJHVFFDEM-UHFFFAOYSA-N 0 0 461.436 4.117 50 0 JIAARN COc1ccc(C=CC(=O)NC(=S)NCCOc2cccc(Cl)c2Cl)cc1OC ZINC000002826536 554366340 /nfs/dbraw/zinc/36/63/40/554366340.db2.gz MYAJVAIHJLOTKE-VQHVLOKHSA-N 0 0 455.363 4.094 50 0 JIAARN Nn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1Cl ZINC000002840704 554372477 /nfs/dbraw/zinc/37/24/77/554372477.db2.gz URGNLKGNJLMWPJ-UHFFFAOYSA-N 0 0 451.364 4.306 50 0 JIAARN Cc1cc(Cl)c(S(=O)(=O)N(C)c2ccccc2)cc1OCC(=O)NC1CCCCC1 ZINC000002850713 554378592 /nfs/dbraw/zinc/37/85/92/554378592.db2.gz MWFLSQVTXHDAPQ-UHFFFAOYSA-N 0 0 450.988 4.301 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)c2cc(C)cc(C)c2)cc1OC ZINC000002852793 554380564 /nfs/dbraw/zinc/38/05/64/554380564.db2.gz ANPVRVATPYIPBR-UHFFFAOYSA-N 0 0 490.528 4.433 50 0 JIAARN CCCNC(=O)c1ccccc1NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000002853132 554380996 /nfs/dbraw/zinc/38/09/96/554380996.db2.gz IEMAFJCWTOBJGS-UHFFFAOYSA-N 0 0 479.602 4.353 50 0 JIAARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=S)Nc1cc(OC)c(Cl)cc1OC ZINC000002857080 554383749 /nfs/dbraw/zinc/38/37/49/554383749.db2.gz UIDIRNRYIDDRPS-UHFFFAOYSA-N 0 0 471.988 4.024 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000002861541 554388248 /nfs/dbraw/zinc/38/82/48/554388248.db2.gz NZFKYRGXNKLOGY-UHFFFAOYSA-N 0 0 452.532 4.154 50 0 JIAARN CC[C@@]1(C)Cc2c(sc3nnn(CC(=O)N(c4ccccc4)c4ccccc4)c(=O)c32)CO1 ZINC000002861993 554388920 /nfs/dbraw/zinc/38/89/20/554388920.db2.gz DQOOBMQKGGNDQC-VWLOTQADSA-N 0 0 460.559 4.459 50 0 JIAARN CC(=O)c1cccc(NC(=O)COc2ccccc2C(=O)NCCOc2ccccc2Cl)c1 ZINC000002863180 554389817 /nfs/dbraw/zinc/38/98/17/554389817.db2.gz STTUCZRHPMDQPQ-UHFFFAOYSA-N 0 0 466.921 4.369 50 0 JIAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2S(=O)(=O)c2cccs2)cc1OC ZINC000002869088 554394480 /nfs/dbraw/zinc/39/44/80/554394480.db2.gz SAOPILFBNYEQSF-QHCPKHFHSA-N 0 0 475.588 4.119 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1OC ZINC000002868946 554394490 /nfs/dbraw/zinc/39/44/90/554394490.db2.gz ULHWVHZQUDAXRH-UHFFFAOYSA-N 0 0 482.602 4.402 50 0 JIAARN CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000002870507 554395382 /nfs/dbraw/zinc/39/53/82/554395382.db2.gz ZCBOQFSJEKLPGS-UHFFFAOYSA-N 0 0 458.923 4.361 50 0 JIAARN Cc1cccc(NC(=O)CSc2nnc(CCC(=O)Nc3ccc(C)c(Cl)c3)n2C)c1 ZINC000002881822 554404273 /nfs/dbraw/zinc/40/42/73/554404273.db2.gz AEIVLCUMXSCEKD-UHFFFAOYSA-N 0 0 457.987 4.387 50 0 aggregator JIAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccc(C)c(C)c1 ZINC000002885273 554406042 /nfs/dbraw/zinc/40/60/42/554406042.db2.gz JVXMCZMJDMCRFI-UHFFFAOYSA-N 0 0 478.614 4.401 50 0 JIAARN Cn1c(CCNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCCC(=O)Nc1ccccc1 ZINC000002887407 554406960 /nfs/dbraw/zinc/40/69/60/554406960.db2.gz ZYELMBRVUBLTLI-UHFFFAOYSA-N 0 0 478.405 4.215 50 0 JIAARN COc1ccc(CNC(=O)c2cccc(-n3c(=O)c4ccc(Cl)cc4[nH]c3=S)c2)cc1 ZINC000003051831 554424151 /nfs/dbraw/zinc/42/41/51/554424151.db2.gz HZZVFUMKUSAWPW-UHFFFAOYSA-N 0 0 451.935 4.266 50 0 JIAARN O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000003377988 554460655 /nfs/dbraw/zinc/46/06/55/554460655.db2.gz XUDIBKLJLGKZCZ-HFZDXXHNSA-N 0 0 479.529 4.055 50 0 JIAARN COc1cccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccccc2F)c1 ZINC000004798803 554481151 /nfs/dbraw/zinc/48/11/51/554481151.db2.gz CLKJSGHRLWNSGX-DNQXCXABSA-N 0 0 464.493 4.401 50 0 JIAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000005640760 554492184 /nfs/dbraw/zinc/49/21/84/554492184.db2.gz PDIUZPBNLUNFFJ-QFIPXVFZSA-N 0 0 474.557 4.475 50 0 biogenic JIAARN Cc1ccc2c(Cl)cc(Cl)c(OCc3cccc(S(=O)(=O)N4CCOCC4)c3)c2n1 ZINC000006095178 554505357 /nfs/dbraw/zinc/50/53/57/554505357.db2.gz RGOUXLSHZZPWIB-UHFFFAOYSA-N 0 0 467.374 4.450 50 0 JIAARN CCCCNC(=O)c1cc(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000006238441 554520699 /nfs/dbraw/zinc/52/06/99/554520699.db2.gz CJLAZUFTYRRZHD-UHFFFAOYSA-N 0 0 466.607 4.391 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2ccccc2)cc1 ZINC000006296855 554528466 /nfs/dbraw/zinc/52/84/66/554528466.db2.gz CWJYHCDMVTZDCQ-UHFFFAOYSA-N 0 0 467.572 4.403 50 0 JIAARN COc1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1 ZINC000006577271 554552720 /nfs/dbraw/zinc/55/27/20/554552720.db2.gz DRUPZSCBBKRSEA-UHFFFAOYSA-N 0 0 451.527 4.075 50 0 JIAARN Cn1cccc1Cc1nnc(SCC(=O)N2CCc3ccccc32)n1CCc1ccccc1 ZINC000006577723 554553411 /nfs/dbraw/zinc/55/34/11/554553411.db2.gz BVPUMLYZFXJADI-UHFFFAOYSA-N 0 0 457.603 4.132 50 0 JIAARN CN1CCN(C(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2[S@@]3=O)CC1 ZINC000006578195 554554031 /nfs/dbraw/zinc/55/40/31/554554031.db2.gz GYOMZMSOINRJJU-UUWRZZSWSA-N 0 0 494.016 4.055 50 0 JIAARN COc1ccc(C)cc1NC(=O)CSc1nnc(CNC(=O)c2ccc(Cl)c(Cl)c2)n1C ZINC000008399574 554574712 /nfs/dbraw/zinc/57/47/12/554574712.db2.gz QAJIPFNYKABQRE-UHFFFAOYSA-N 0 0 494.404 4.100 50 0 JIAARN Cc1ccc(C(=O)Nc2ccc(I)cc2)cc1I ZINC000008400383 554575484 /nfs/dbraw/zinc/57/54/84/554575484.db2.gz XBPZGJKBIFRBKC-UHFFFAOYSA-N 0 0 463.056 4.457 50 0 JIAARN CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccccc3)CC2=O)cc1 ZINC000008430551 554583645 /nfs/dbraw/zinc/58/36/45/554583645.db2.gz XUJAHDMHYDEYIL-OAQYLSRUSA-N 0 0 471.557 4.397 50 0 JIAARN COC(=O)c1sc(NC(=O)CSc2cc(C)c3ccc(OC)cc3n2)c(C(=O)OC)c1C ZINC000008431696 554584750 /nfs/dbraw/zinc/58/47/50/554584750.db2.gz BAQVTTNAZOZODR-UHFFFAOYSA-N 0 0 474.560 4.226 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000008435287 554587434 /nfs/dbraw/zinc/58/74/34/554587434.db2.gz HHUUMOOWEDSZIQ-DEYZUUILSA-N 0 0 464.974 4.117 50 0 JIAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3cccs3)sc2=N1 ZINC000008439089 554590476 /nfs/dbraw/zinc/59/04/76/554590476.db2.gz ILOCTIOJPWVUHC-VOSMRYOYSA-N 0 0 475.570 4.075 50 0 JIAARN COc1ccc(-c2c3c(c4n2-c2ccccc2N[C@H]4c2ccc(OC)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000008587546 554601876 /nfs/dbraw/zinc/60/18/76/554601876.db2.gz ZBSSOQVNFFSCNF-DEOSSOPVSA-N 0 0 494.551 4.227 50 0 JIAARN COc1ccc([S@@](=O)Cc2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)o2)cc1 ZINC000008589207 554602220 /nfs/dbraw/zinc/60/22/20/554602220.db2.gz UOUOCIWLGFFEKS-JGCGQSQUSA-N 0 0 452.576 4.175 50 0 JIAARN Cc1sc2nc(CN3CCCC3)nc(N3CCC(C(=O)Nc4ccccc4O)CC3)c2c1C ZINC000008744717 554647806 /nfs/dbraw/zinc/64/78/06/554647806.db2.gz JEWAFJLXIYBBKY-UHFFFAOYSA-N 0 0 465.623 4.465 50 0 JIAARN CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cc(C)cc(C)c2)cn3C2CC2)CC1 ZINC000008744948 554647969 /nfs/dbraw/zinc/64/79/69/554647969.db2.gz RNSITEPZMWYCAG-UHFFFAOYSA-N 0 0 476.552 4.013 50 0 JIAARN C[C@@H](Oc1ccc(Br)cc1Br)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000008746769 554649953 /nfs/dbraw/zinc/64/99/53/554649953.db2.gz JSJWNJWAMWVTIW-SNVBAGLBSA-N 0 0 477.174 4.233 50 0 JIAARN COc1cc(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cc(Cl)c1OC ZINC000008751179 554653186 /nfs/dbraw/zinc/65/31/86/554653186.db2.gz WZPZJIDZHBCRFC-UHFFFAOYSA-N 0 0 455.736 4.139 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CCc1c(C)nc2c(cnn2C(C)C)c1C ZINC000008751453 554653497 /nfs/dbraw/zinc/65/34/97/554653497.db2.gz QKAMWHUWLXAUMU-UHFFFAOYSA-N 0 0 486.414 4.387 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)Cn1cnc3sc(-c4ccccc4)c(C)c3c1=O)CC2 ZINC000008752588 554654144 /nfs/dbraw/zinc/65/41/44/554654144.db2.gz VTEQKYCQUYBKNS-UHFFFAOYSA-N 0 0 475.570 4.036 50 0 JIAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)Nc4ccc(OC)cc4)cc3)CC2=O)cc1 ZINC000008754222 554655960 /nfs/dbraw/zinc/65/59/60/554655960.db2.gz AJTRMRAFWUVMDN-IBGZPJMESA-N 0 0 473.529 4.338 50 0 JIAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000008755755 554657811 /nfs/dbraw/zinc/65/78/11/554657811.db2.gz KXZKCANLCJRGQP-DCFHFQCYSA-N 0 0 463.578 4.115 50 0 JIAARN COc1ccc(NC(=O)c2ccc(NC(=O)CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000008757068 554659518 /nfs/dbraw/zinc/65/95/18/554659518.db2.gz OFQRDALPUCCIKN-XMMPIXPASA-N 0 0 487.556 4.494 50 0 JIAARN O=C1[C@@H]2CCCN2c2ccc(S(=O)(=O)N3CCCC3)cc2N1Cc1cccc(C(F)(F)F)c1 ZINC000008762615 554662614 /nfs/dbraw/zinc/66/26/14/554662614.db2.gz OJKVVPBRJPXQRS-FQEVSTJZSA-N 0 0 479.524 4.006 50 0 JIAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000008762892 554662699 /nfs/dbraw/zinc/66/26/99/554662699.db2.gz DGUADIZMMCCHPG-UHFFFAOYSA-N 0 0 486.937 4.033 50 0 JIAARN O=C(CN(Cc1ccco1)C(=O)c1cc(=O)[nH]c2ccccc21)Nc1ccccc1Br ZINC000008763095 554663075 /nfs/dbraw/zinc/66/30/75/554663075.db2.gz SGOQWTRQIGVPDX-UHFFFAOYSA-N 0 0 480.318 4.165 50 0 JIAARN COc1ccc2c(CCNC(=O)COc3cc4c(c5oc(=O)cc(C)c35)CCC(C)(C)O4)c[nH]c2c1 ZINC000008765272 554665863 /nfs/dbraw/zinc/66/58/63/554665863.db2.gz GWEKYJJDDVDLTG-UHFFFAOYSA-N 0 0 490.556 4.433 50 0 biogenic JIAARN O=C(COc1cccc2ccc(N3CCN(c4ccccc4)CC3)nc21)NCc1ccccc1 ZINC000008769749 554670094 /nfs/dbraw/zinc/67/00/94/554670094.db2.gz ORAWMIWDXMWJOX-UHFFFAOYSA-N 0 0 452.558 4.257 50 0 JIAARN O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000008770991 554670974 /nfs/dbraw/zinc/67/09/74/554670974.db2.gz SYBHGIDVYKJNEW-DOTOQJQBSA-N 0 0 461.634 4.122 50 0 JIAARN COc1ccc(CCNC(=O)c2sc(NC(=O)Nc3ccc(C)cc3)nc2C)cc1OC ZINC000008771437 554671319 /nfs/dbraw/zinc/67/13/19/554671319.db2.gz KHOKWKRNSLUAKL-UHFFFAOYSA-N 0 0 454.552 4.394 50 0 JIAARN Cc1cccc(-c2nnc(SCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)n2C)c1 ZINC000008772336 554672023 /nfs/dbraw/zinc/67/20/23/554672023.db2.gz KXAGAJIHIRPWNI-IBGZPJMESA-N 0 0 450.564 4.018 50 0 JIAARN C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008774696 554673410 /nfs/dbraw/zinc/67/34/10/554673410.db2.gz RFBPLZZVEFTOML-ZDUSSCGKSA-N 0 0 498.051 4.090 50 0 aggregator JIAARN O=C(NCCc1c[nH]cn1)[C@@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 ZINC000008775696 554673962 /nfs/dbraw/zinc/67/39/62/554673962.db2.gz QHJRQJPYCGKOAV-GOSISDBHSA-N 0 0 475.980 4.147 50 0 JIAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c1 ZINC000008778044 554674978 /nfs/dbraw/zinc/67/49/78/554674978.db2.gz MIMYCQKNHUUJII-QHCPKHFHSA-N 0 0 451.567 4.152 50 0 JIAARN Cc1[nH]c2c(cccc2C(F)(F)F)c1CCNC(Nc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000008777881 554675018 /nfs/dbraw/zinc/67/50/18/554675018.db2.gz MJTPFUNMPJRGPD-UHFFFAOYSA-N 0 0 499.493 4.001 50 0 JIAARN COc1ccc(CNC(=O)NCCS(=O)(=O)c2c(C)n(Cc3ccccc3)c3ccccc32)cc1 ZINC000008808558 554687716 /nfs/dbraw/zinc/68/77/16/554687716.db2.gz VFAQHRRDVUGIIV-UHFFFAOYSA-N 0 0 491.613 4.280 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCc3ccccc3)ccc2N2CCCC2)cc1 ZINC000008811793 554692754 /nfs/dbraw/zinc/69/27/54/554692754.db2.gz PDRYZDDXWBLZDM-UHFFFAOYSA-N 0 0 463.603 4.369 50 0 JIAARN CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc5c(c4)OCO5)cc2)N3)C1 ZINC000008817433 554700411 /nfs/dbraw/zinc/70/04/11/554700411.db2.gz XXMFWYRWOZKPIB-OAQYLSRUSA-N 0 0 463.515 4.113 50 0 JIAARN COc1ccc(OCCOC(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 ZINC000008824834 554712321 /nfs/dbraw/zinc/71/23/21/554712321.db2.gz SDRBIMYXEQADLI-UHFFFAOYSA-N 0 0 469.465 4.096 50 0 JIAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008825310 554713498 /nfs/dbraw/zinc/71/34/98/554713498.db2.gz PJVDFEZZKGHECK-ASXFNGKXSA-N 0 0 471.575 4.089 50 0 JIAARN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc2nn(-c3ccc(F)cc3)nc2cc1C ZINC000008831248 554721576 /nfs/dbraw/zinc/72/15/76/554721576.db2.gz BAHZZNAOVDCMFK-UHFFFAOYSA-N 0 0 465.510 4.012 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000008834780 554732845 /nfs/dbraw/zinc/73/28/45/554732845.db2.gz LEAAKZZEIHIQRS-VOMPUTFMSA-N 0 0 473.381 4.105 50 0 JIAARN O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1 ZINC000008844403 554741341 /nfs/dbraw/zinc/74/13/41/554741341.db2.gz UHJNYXNCXCPINC-UHFFFAOYSA-N 0 0 475.495 4.499 50 0 JIAARN CCCCOc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)cc1OCC ZINC000008845242 554741848 /nfs/dbraw/zinc/74/18/48/554741848.db2.gz ISKSUKHFPVEPIF-RUZDIDTESA-N 0 0 465.550 4.206 50 0 JIAARN CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OCC)c(OC)c1 ZINC000008845541 554743138 /nfs/dbraw/zinc/74/31/38/554743138.db2.gz LRSCAPXMIRQWQD-XMMPIXPASA-N 0 0 451.523 4.161 50 0 JIAARN Cc1nc(NC(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n32)sc1C(=O)N(C)C ZINC000008845898 554744274 /nfs/dbraw/zinc/74/42/74/554744274.db2.gz ZQLQBFGFSGHZCF-UHFFFAOYSA-N 0 0 468.608 4.005 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)c(C)n1Cc1cccs1 ZINC000008850560 554747685 /nfs/dbraw/zinc/74/76/85/554747685.db2.gz QCZSGXVJZHWISH-AREMUKBSSA-N 0 0 493.585 4.026 50 0 JIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(NC(C)=O)cc3)cs2)cc1 ZINC000008851703 554748533 /nfs/dbraw/zinc/74/85/33/554748533.db2.gz WZBLHKQASWOTSR-UHFFFAOYSA-N 0 0 470.576 4.022 50 0 JIAARN COc1ccc(CCNC(=O)Cc2csc(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000008852407 554748919 /nfs/dbraw/zinc/74/89/19/554748919.db2.gz ICGJTQWATFJABB-UHFFFAOYSA-N 0 0 476.023 4.437 50 0 JIAARN COC(=O)c1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000008852926 554749133 /nfs/dbraw/zinc/74/91/33/554749133.db2.gz KFSAOTMSNXSKBW-UHFFFAOYSA-N 0 0 455.561 4.150 50 0 JIAARN CCOc1cc(C(=O)N2CCN(c3ncccn3)CC2)cc(Br)c1OCCC(C)C ZINC000008855615 554751257 /nfs/dbraw/zinc/75/12/57/554751257.db2.gz RHOBDXGIEYMHBS-UHFFFAOYSA-N 0 0 477.403 4.025 50 0 JIAARN O=C(CSc1n[nH]c(-c2ccncc2)n1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000008860898 554757522 /nfs/dbraw/zinc/75/75/22/554757522.db2.gz VNEVOLKGHQSHME-OAHLLOKOSA-N 0 0 452.590 4.460 50 0 JIAARN Cc1c2ccccc2oc1C(=O)N(Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000008869161 554762878 /nfs/dbraw/zinc/76/28/78/554762878.db2.gz OYWOQQPUHSDDFM-KRWDZBQOSA-N 0 0 462.365 4.333 50 0 JIAARN CCCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)cc1OC ZINC000008869544 554763267 /nfs/dbraw/zinc/76/32/67/554763267.db2.gz MCWTZJZDTGDKPN-HSZRJFAPSA-N 0 0 451.519 4.481 50 0 JIAARN COCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000008870309 554764988 /nfs/dbraw/zinc/76/49/88/554764988.db2.gz GTVMRENUOJCLPZ-UHFFFAOYSA-N 0 0 482.352 4.416 50 0 JIAARN CC(C)C(=O)N1CCc2c3ccccc3[nH]c2[C@]12c1cc(Br)ccc1N(C)C2=O ZINC000008877361 554772679 /nfs/dbraw/zinc/77/26/79/554772679.db2.gz LTRFGEZIQLMQOQ-QHCPKHFHSA-N 0 0 452.352 4.191 50 0 biogenic JIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O ZINC000008877936 554773555 /nfs/dbraw/zinc/77/35/55/554773555.db2.gz CDFTYJHMQLMRRX-UHFFFAOYSA-N 0 0 481.858 4.491 50 0 JIAARN COc1ccccc1OCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000008882693 554777324 /nfs/dbraw/zinc/77/73/24/554777324.db2.gz IEFDCZYOIWSBDY-UHFFFAOYSA-N 0 0 460.939 4.475 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccccc1NC(=O)NC(C)C ZINC000008884342 554778614 /nfs/dbraw/zinc/77/86/14/554778614.db2.gz PCYWDIOREJDYFS-UHFFFAOYSA-N 0 0 488.610 4.042 50 0 JIAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000008893744 554782592 /nfs/dbraw/zinc/78/25/92/554782592.db2.gz JZEWDGWPIBIMLH-KRWDZBQOSA-N 0 0 474.948 4.131 50 0 JIAARN Cc1ccccc1-n1nc2c(c1NC(=O)Cc1ccc(-c3ccccc3)cc1)CS(=O)(=O)C2 ZINC000008910417 554800346 /nfs/dbraw/zinc/80/03/46/554800346.db2.gz ZQRWVWCPKQEFGG-UHFFFAOYSA-N 0 0 457.555 4.457 50 0 JIAARN Cc1cc(O[C@H](C)C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000008916122 554810586 /nfs/dbraw/zinc/81/05/86/554810586.db2.gz OCQROWCOBGKSMM-VQIMIIECSA-N 0 0 453.963 4.079 50 0 JIAARN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)c(OC)c1 ZINC000008917792 554813278 /nfs/dbraw/zinc/81/32/78/554813278.db2.gz UWAISZMPTIQGJB-RJHBRUQCSA-N 0 0 465.546 4.341 50 0 biogenic JIAARN COc1ccc(CNC(=O)c2cccc(N3C(=O)N4CCc5c6ccccc6[nH]c5[C@@]4(C)C3=O)c2)cc1 ZINC000008918276 554814560 /nfs/dbraw/zinc/81/45/60/554814560.db2.gz VHHXGMDUHZKDMU-LJAQVGFWSA-N 0 0 494.551 4.347 50 0 biogenic JIAARN Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4cccs4)cc3)CC2=O)c1 ZINC000008927350 554824794 /nfs/dbraw/zinc/82/47/94/554824794.db2.gz LVTDXSJTIBPOAL-IBGZPJMESA-N 0 0 477.538 4.363 50 0 JIAARN CCOC(=O)c1sc(NC(=O)Cc2ccc(OCC)c(OCC)c2)c(C(=O)OCC)c1C ZINC000008931921 554826275 /nfs/dbraw/zinc/82/62/75/554826275.db2.gz APPHGNONHAFLNR-UHFFFAOYSA-N 0 0 463.552 4.389 50 0 JIAARN COc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccc(F)cc3)c(C)c2C(=O)[O-])c(OC)c1OC ZINC000008932512 554826315 /nfs/dbraw/zinc/82/63/15/554826315.db2.gz NJQPNMWMILGWRR-UHFFFAOYSA-N 0 0 470.541 4.349 50 0 JIAARN COc1cccc(Cn2c(C)c(C[NH2+]CCc3ccc(OC)c(OC)c3)c(C(=O)[O-])c2C)c1 ZINC000008932924 554826704 /nfs/dbraw/zinc/82/67/04/554826704.db2.gz OVHZNLZCMRJCQP-UHFFFAOYSA-N 0 0 452.551 4.210 50 0 JIAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)N1CCc2ccccc21 ZINC000008933421 554827545 /nfs/dbraw/zinc/82/75/45/554827545.db2.gz YHQYJTSNVQCBDC-UHFFFAOYSA-N 0 0 452.489 4.128 50 0 JIAARN C[C@H](CNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1)c1ccccc1 ZINC000008933727 554828103 /nfs/dbraw/zinc/82/81/03/554828103.db2.gz XSGOPYNZWIOMAB-JOCHJYFZSA-N 0 0 481.600 4.435 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000008934327 554828818 /nfs/dbraw/zinc/82/88/18/554828818.db2.gz CSGIXBBQAPHAOV-YWFITGJYSA-N 0 0 473.381 4.105 50 0 JIAARN COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C2CC2)cc1 ZINC000008938529 554831019 /nfs/dbraw/zinc/83/10/19/554831019.db2.gz RFVAECSYYXGTCR-UHFFFAOYSA-N 0 0 454.523 4.440 50 0 JIAARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000008951662 554834690 /nfs/dbraw/zinc/83/46/90/554834690.db2.gz HGPMCCBIZHQDBS-UHFFFAOYSA-N 0 0 450.524 4.423 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1 ZINC000008961447 554837980 /nfs/dbraw/zinc/83/79/80/554837980.db2.gz BLRQHHZCKZDTIR-UHFFFAOYSA-N 0 0 451.504 4.137 50 0 JIAARN Cc1c2cnn(CC(=O)N[C@@H](C)CCc3ccccc3)c(=O)c2c(C)n1Cc1ccc(C)cc1 ZINC000008965421 554839901 /nfs/dbraw/zinc/83/99/01/554839901.db2.gz VGNDWTYRYFDALX-FQEVSTJZSA-N 0 0 456.590 4.309 50 0 JIAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000008966074 554841960 /nfs/dbraw/zinc/84/19/60/554841960.db2.gz TTXITYDRWIVJLB-QWHCGFSZSA-N 0 0 457.577 4.449 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)c(C)c1 ZINC000008968172 554842790 /nfs/dbraw/zinc/84/27/90/554842790.db2.gz GIWRYKWASRCWIE-IBGZPJMESA-N 0 0 467.609 4.306 50 0 JIAARN Cc1c(C)n(Cc2ccccn2)c2ncn3nc([C@@H](C(C)C)N4C(=O)c5ccccc5C4=O)nc3c12 ZINC000008993044 554853479 /nfs/dbraw/zinc/85/34/79/554853479.db2.gz PHSYPNXMTRNLKD-JOCHJYFZSA-N 0 0 479.544 4.132 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)Cc2ccc(Cl)cc2)c2cccnc2)cc1 ZINC000009007378 554860430 /nfs/dbraw/zinc/86/04/30/554860430.db2.gz SXLSHHBRCBPLGG-HSZRJFAPSA-N 0 0 493.050 4.493 50 0 JIAARN O=C(c1ccc(OC(F)F)cc1)N1CCCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009051073 554872147 /nfs/dbraw/zinc/87/21/47/554872147.db2.gz QNSAJHCZZSHXAT-UHFFFAOYSA-N 0 0 450.507 4.056 50 0 JIAARN Cc1ccc(-n2c(Cc3cccc4ccccc43)nnc2SCC(=O)N2CCNC2=O)c(C)c1 ZINC000009056128 554874078 /nfs/dbraw/zinc/87/40/78/554874078.db2.gz RDLNXJUENXKCJS-UHFFFAOYSA-N 0 0 471.586 4.272 50 0 JIAARN Cc1ccc(C)c(Sc2ccc(NC(=O)Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)cc2)c1 ZINC000009056803 554875664 /nfs/dbraw/zinc/87/56/64/554875664.db2.gz WNTLRZSXXRYIQP-UHFFFAOYSA-N 0 0 497.642 4.040 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(OC)c3OC)ccc2C)cc1 ZINC000009083303 554888371 /nfs/dbraw/zinc/88/83/71/554888371.db2.gz QYLKPEIABMVINM-UHFFFAOYSA-N 0 0 470.547 4.464 50 0 JIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)cc12 ZINC000009086789 554888973 /nfs/dbraw/zinc/88/89/73/554888973.db2.gz BZQIQMGFSODYTA-UHFFFAOYSA-N 0 0 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467.591 4.172 50 0 JIAARN CCn1c(COc2cc(C)ccc2Cl)nnc1SCC(=O)Nc1sccc1C(=O)OC ZINC000020214280 555709318 /nfs/dbraw/zinc/70/93/18/555709318.db2.gz VETPHFUSKHTSQD-UHFFFAOYSA-N 0 0 480.999 4.418 50 0 JIAARN Cc1cccc(N(C)S(=O)(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)c(C)cc2C)c1 ZINC000010435086 555709678 /nfs/dbraw/zinc/70/96/78/555709678.db2.gz UXCCPMMMDMWMBS-UHFFFAOYSA-N 0 0 458.605 4.262 50 0 JIAARN CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(=O)Nc1ccccc1C ZINC000020214732 555710767 /nfs/dbraw/zinc/71/07/67/555710767.db2.gz FANWXAFUGLJSFJ-UHFFFAOYSA-N 0 0 456.469 4.457 50 0 JIAARN COC[C@@H](C)n1c(C)cc(C(=O)CSc2nc(CN3CCOCC3)nc3ccccc32)c1C ZINC000014157314 555714963 /nfs/dbraw/zinc/71/49/63/555714963.db2.gz OEENBWSIKNGWPZ-GOSISDBHSA-N 0 0 468.623 4.063 50 0 JIAARN O=C(c1ccccc1SCc1cccs1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000014160826 555716097 /nfs/dbraw/zinc/71/60/97/555716097.db2.gz KFYGIXXLDKLHAN-UHFFFAOYSA-N 0 0 482.656 4.068 50 0 JIAARN COC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1CCN(c2cccc(O)c2)CC1 ZINC000020220746 555717419 /nfs/dbraw/zinc/71/74/19/555717419.db2.gz ZFFWSUCHXKLIKJ-UHFFFAOYSA-N 0 0 467.616 4.350 50 0 JIAARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000014165625 555718325 /nfs/dbraw/zinc/71/83/25/555718325.db2.gz MYHCOSYFPHLGNS-JOCHJYFZSA-N 0 0 482.537 4.262 50 0 JIAARN COc1cc(NC(=S)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc(OC)c1 ZINC000020228140 555718737 /nfs/dbraw/zinc/71/87/37/555718737.db2.gz XRWKNQOIWHAHCC-UHFFFAOYSA-N 0 0 469.588 4.264 50 0 JIAARN CCn1c(SCC(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)nnc1C1CC1 ZINC000014166078 555719078 /nfs/dbraw/zinc/71/90/78/555719078.db2.gz JYAVFCWHITXESJ-UHFFFAOYSA-N 0 0 490.633 4.356 50 0 JIAARN CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000010481869 555720114 /nfs/dbraw/zinc/72/01/14/555720114.db2.gz RHZFELDBJQWOCR-HSZRJFAPSA-N 0 0 488.613 4.359 50 0 JIAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000010483460 555720539 /nfs/dbraw/zinc/72/05/39/555720539.db2.gz GTTUPKIOVXVBTN-UHFFFAOYSA-N 0 0 475.552 4.185 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)CC2)cc1 ZINC000010528580 555723183 /nfs/dbraw/zinc/72/31/83/555723183.db2.gz UWYSDWYPILFFRA-UHFFFAOYSA-N 0 0 490.585 4.278 50 0 JIAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000014180952 555723501 /nfs/dbraw/zinc/72/35/01/555723501.db2.gz IWOYDSOFGVIABD-JOCHJYFZSA-N 0 0 452.532 4.189 50 0 JIAARN COc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000014183405 555724773 /nfs/dbraw/zinc/72/47/73/555724773.db2.gz PGPAYMHKGDPMNA-VWLOTQADSA-N 0 0 460.555 4.377 50 0 JIAARN COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000010542216 555725479 /nfs/dbraw/zinc/72/54/79/555725479.db2.gz UVUVWANAEHQAAQ-UHFFFAOYSA-N 0 0 462.571 4.035 50 0 JIAARN C[C@@H](NC(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1)c1cccc(Cl)c1 ZINC000014184330 555725682 /nfs/dbraw/zinc/72/56/82/555725682.db2.gz VRVQZEKXWRUUIA-MRXNPFEDSA-N 0 0 460.983 4.089 50 0 JIAARN CC(C)[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C)c1ccc2c(c1)OCCCO2 ZINC000014185112 555726408 /nfs/dbraw/zinc/72/64/08/555726408.db2.gz QJXHINCYASHQOD-JOCHJYFZSA-N 0 0 470.570 4.388 50 0 JIAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n1 ZINC000014197313 555729507 /nfs/dbraw/zinc/72/95/07/555729507.db2.gz YVQBDIRKUQSDOC-UHFFFAOYSA-N 0 0 452.561 4.293 50 0 JIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000010687780 555732612 /nfs/dbraw/zinc/73/26/12/555732612.db2.gz LAFHJAZBDQPJMH-UHFFFAOYSA-N 0 0 483.974 4.219 50 0 JIAARN CCCCN1C(=O)CC[C@H](C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)[C@H]1c1ccc(OC)cc1 ZINC000014201747 555733205 /nfs/dbraw/zinc/73/32/05/555733205.db2.gz PKLSMFQOAQBJPW-JYFHCDHNSA-N 0 0 490.604 4.212 50 0 JIAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000020239610 555733954 /nfs/dbraw/zinc/73/39/54/555733954.db2.gz PXEKKBUBGHWHOL-HRBBJJPOSA-N 0 0 495.601 4.341 50 0 JIAARN CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)n3)oc21 ZINC000010749545 555737907 /nfs/dbraw/zinc/73/79/07/555737907.db2.gz HTMFQUWNOPAHSS-UHFFFAOYSA-N 0 0 471.560 4.458 50 0 JIAARN CCN1c2cc(C(=O)NCCc3c[nH]c4ccccc34)ccc2[S@@](=O)c2ccccc2C1=O ZINC000020242893 555739634 /nfs/dbraw/zinc/73/96/34/555739634.db2.gz MNKDKAMTMJSIFW-MGBGTMOVSA-N 0 0 457.555 4.287 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C(=O)N3CCCCC3)c3ccccc3)CC2)cc1C ZINC000014239615 555740783 /nfs/dbraw/zinc/74/07/83/555740783.db2.gz UVDJWLBEJMGCGY-VWLOTQADSA-N 0 0 498.645 4.001 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cccc4ccccc43)CC2)cc1 ZINC000014240383 555741058 /nfs/dbraw/zinc/74/10/58/555741058.db2.gz HCKLJQFGIOTXEH-GOSISDBHSA-N 0 0 464.587 4.321 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)OC(=O)c1cccnc1Cl)C[C@@H](C)CC2 ZINC000010801681 555741200 /nfs/dbraw/zinc/74/12/00/555741200.db2.gz MMPFVEXRVIFQKR-NWDGAFQWSA-N 0 0 450.944 4.282 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000010814855 555741856 /nfs/dbraw/zinc/74/18/56/555741856.db2.gz RXOQYCIPYSJWAH-UHFFFAOYSA-N 0 0 496.571 4.416 50 0 JIAARN COCCCN(Cc1sc2ccccc2c1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000014241635 555742910 /nfs/dbraw/zinc/74/29/10/555742910.db2.gz LBKWIZKVKCHGOM-UHFFFAOYSA-N 0 0 485.009 4.078 50 0 JIAARN O=C(Nc1ccc2ccccc2c1)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl ZINC000014242366 555743987 /nfs/dbraw/zinc/74/39/87/555743987.db2.gz NODNXHPSWRYRKC-UHFFFAOYSA-N 0 0 485.993 4.036 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1nc2c(s1)CCCC2 ZINC000014242384 555744333 /nfs/dbraw/zinc/74/43/33/555744333.db2.gz GJMXCIXBXBZRJE-UHFFFAOYSA-N 0 0 469.588 4.034 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000014244674 555746485 /nfs/dbraw/zinc/74/64/85/555746485.db2.gz DDDNTJGDBHGFLB-QHCPKHFHSA-N 0 0 487.556 4.494 50 0 JIAARN CCc1ccc(-c2nc(C(=O)NC[C@H](c3ccc(OC)c(OC)c3)N3CCOCC3)cs2)cc1 ZINC000014245768 555748486 /nfs/dbraw/zinc/74/84/86/555748486.db2.gz GRQTWFOCWKLCLS-JOCHJYFZSA-N 0 0 481.618 4.193 50 0 JIAARN CCOc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000010977343 555750680 /nfs/dbraw/zinc/75/06/80/555750680.db2.gz ZDEDEKCAVXZYKQ-HXUWFJFHSA-N 0 0 458.624 4.289 50 0 JIAARN CCCCNC(=O)C1CCN(c2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn32)CC1 ZINC000020279872 555750892 /nfs/dbraw/zinc/75/08/92/555750892.db2.gz UPHMTBOZHXUYRO-UHFFFAOYSA-N 0 0 465.598 4.163 50 0 JIAARN O=C(c1ccccc1Oc1ccccc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000011003820 555752241 /nfs/dbraw/zinc/75/22/41/555752241.db2.gz QDLCKJIVBJFVIJ-UHFFFAOYSA-N 0 0 454.523 4.155 50 0 JIAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)OC(=O)c4ccc(-n5cncn5)nc4)cc3)sc2c1 ZINC000014251350 555753840 /nfs/dbraw/zinc/75/38/40/555753840.db2.gz DOJAIJVFSFKFAV-MRXNPFEDSA-N 0 0 484.541 4.431 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1c2ccccc2N[C@@H](CC(=O)Nc2ccc(F)cc2)C1=O ZINC000020285364 555754472 /nfs/dbraw/zinc/75/44/72/555754472.db2.gz NPZAINOVKWXZMI-NRFANRHFSA-N 0 0 460.509 4.237 50 0 JIAARN COc1cc(OC)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2cccc(C)c2)cc1Cl ZINC000011042740 555755783 /nfs/dbraw/zinc/75/57/83/555755783.db2.gz SATXZYMDQCRTSL-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000011096173 555759190 /nfs/dbraw/zinc/75/91/90/555759190.db2.gz CGWNLTKVOIEBEF-UHFFFAOYSA-N 0 0 490.025 4.006 50 0 JIAARN Cc1nn(CC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000011102292 555759469 /nfs/dbraw/zinc/75/94/69/555759469.db2.gz OZUIOGUURBFGEK-UHFFFAOYSA-N 0 0 479.389 4.197 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2nnc(SCC(=O)c3ccc4c(c3)-c3ccccc3C4)n2c1 ZINC000011179661 555765114 /nfs/dbraw/zinc/76/51/14/555765114.db2.gz KJMSRVNFAXFHCR-UHFFFAOYSA-N 0 0 492.626 4.306 50 0 JIAARN COc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000011240261 555768938 /nfs/dbraw/zinc/76/89/38/555768938.db2.gz MOELSYNCXAAMSP-PMACEKPBSA-N 0 0 468.619 4.291 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1S(=O)(=O)N1CCCC1 ZINC000011259777 555770130 /nfs/dbraw/zinc/77/01/30/555770130.db2.gz XBSJTQMTIKBRRY-UHFFFAOYSA-N 0 0 494.617 4.271 50 0 JIAARN CCOc1ccc(NC(=O)c2ccnc(N3CCC(C(=O)NCc4ccc(OC)cc4)CC3)c2)cc1 ZINC000020319953 555770186 /nfs/dbraw/zinc/77/01/86/555770186.db2.gz FHWHUXYJLIJSQG-UHFFFAOYSA-N 0 0 488.588 4.274 50 0 JIAARN Cc1ccc(S(=O)(=O)N/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000020323535 555771665 /nfs/dbraw/zinc/77/16/65/555771665.db2.gz JBNYATLKYFOIGU-RWEWTDSWSA-N 0 0 467.934 4.441 50 0 JIAARN COc1ccc(CN2C(=O)N(c3cccc(C)c3)C(=O)[C@H]2CC(=O)Nc2ccccc2)cc1OC ZINC000020324133 555772264 /nfs/dbraw/zinc/77/22/64/555772264.db2.gz OPESRRRIQLQXKO-JOCHJYFZSA-N 0 0 473.529 4.378 50 0 JIAARN COc1cc(OC)c(NC(=O)[C@@H](NS(=O)(=O)c2ccc3nc(C)sc3c2)C(C)C)cc1Cl ZINC000020326053 555772848 /nfs/dbraw/zinc/77/28/48/555772848.db2.gz DVYBWOOFUQMZFK-FQEVSTJZSA-N 0 0 498.026 4.217 50 0 JIAARN O=c1c2sc3nc(N4CCOCC4)c4c(c3c2ncn1-c1cccc(Cl)c1)CCCC4 ZINC000020325788 555772888 /nfs/dbraw/zinc/77/28/88/555772888.db2.gz VPPMYKLTMKTZKF-UHFFFAOYSA-N 0 0 452.967 4.364 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cc1F ZINC000011325452 555772909 /nfs/dbraw/zinc/77/29/09/555772909.db2.gz SYNDWQRYLGXPMI-UHFFFAOYSA-N 0 0 472.494 4.049 50 0 JIAARN COC(=O)c1ccc(CNC(=O)CN(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000011343875 555774361 /nfs/dbraw/zinc/77/43/61/555774361.db2.gz IYHHABDLLJMBGJ-IBGZPJMESA-N 0 0 459.546 4.035 50 0 JIAARN O=C(CSc1cc(C(=O)NC2CC2)c2ccccc2n1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000011353111 555774685 /nfs/dbraw/zinc/77/46/85/555774685.db2.gz SKDVRPMURJHHQM-UHFFFAOYSA-N 0 0 488.613 4.096 50 0 JIAARN CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 ZINC000011363647 555775229 /nfs/dbraw/zinc/77/52/29/555775229.db2.gz QKVJXLCRYYGHRH-HXUWFJFHSA-N 0 0 465.619 4.495 50 0 JIAARN COc1ccc2c(c1)c(CC(=O)O[C@@H](C)C(=O)NC1CC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000011444718 555781073 /nfs/dbraw/zinc/78/10/73/555781073.db2.gz STQNJHIFXUFMSU-HNNXBMFYSA-N 0 0 468.937 4.053 50 0 JIAARN COc1ccc2c(c1)c(CC(=O)O[C@H](C)C(=O)NC1CC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000011444719 555781099 /nfs/dbraw/zinc/78/10/99/555781099.db2.gz STQNJHIFXUFMSU-OAHLLOKOSA-N 0 0 468.937 4.053 50 0 JIAARN CCn1c(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)nnc1-c1ccccc1OC ZINC000011451263 555781393 /nfs/dbraw/zinc/78/13/93/555781393.db2.gz JQLZOEZTVAIPIA-UHFFFAOYSA-N 0 0 462.959 4.375 50 0 JIAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(C)cc2)S3)CC1 ZINC000020355250 555783013 /nfs/dbraw/zinc/78/30/13/555783013.db2.gz KNHATPRUBDRAKV-HYARGMPZSA-N 0 0 465.575 4.431 50 0 JIAARN COC(=O)c1ccccc1NC(=O)C[C@@H]1C(=O)N(Cc2ccccc2)[C@H](C)c2nc3ccccc3n21 ZINC000020355586 555783976 /nfs/dbraw/zinc/78/39/76/555783976.db2.gz YBTYIKRMHWGSMB-HOYKHHGWSA-N 0 0 482.540 4.496 50 0 JIAARN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC2CCN(C(=O)c3ccco3)CC2)c1 ZINC000011528403 555785780 /nfs/dbraw/zinc/78/57/80/555785780.db2.gz NJCWGTYIDMECIF-UHFFFAOYSA-N 0 0 488.519 4.315 50 0 JIAARN COc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(OC)c1 ZINC000011548952 555786967 /nfs/dbraw/zinc/78/69/67/555786967.db2.gz BJWMUGYOPTVSKY-XMMPIXPASA-N 0 0 486.634 4.085 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)/C=C/c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000011556896 555787289 /nfs/dbraw/zinc/78/72/89/555787289.db2.gz PRCKEWMWQINVMP-RUDMXATFSA-N 0 0 453.391 4.285 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nnc(-c3ccoc3C)n2C)nc1 ZINC000014283509 555791221 /nfs/dbraw/zinc/79/12/21/555791221.db2.gz LSKKWHCPZJFYGN-UHFFFAOYSA-N 0 0 455.565 4.145 50 0 JIAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)ccc1OC(F)(F)[C@H](F)C(F)(F)F ZINC000011667041 555797563 /nfs/dbraw/zinc/79/75/63/555797563.db2.gz BLUVZMJOEROUSZ-DOTOQJQBSA-N 0 0 484.393 4.394 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2)CSC3)cc1 ZINC000011667092 555797686 /nfs/dbraw/zinc/79/76/86/555797686.db2.gz LIZCIOVLEDPJHN-UHFFFAOYSA-N 0 0 470.620 4.210 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc1)CCC2 ZINC000011667490 555798168 /nfs/dbraw/zinc/79/81/68/555798168.db2.gz CZJJCUQEBXYEGZ-HZPDHXFCSA-N 0 0 490.647 4.332 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)[C@@H](Cc3ccccc3)N3Cc4ccccc4C3=O)CC2)c1 ZINC000020531181 555798787 /nfs/dbraw/zinc/79/87/87/555798787.db2.gz MIBVRHWNZXPBIT-HHHXNRCGSA-N 0 0 453.586 4.219 50 0 JIAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC000014361490 555800017 /nfs/dbraw/zinc/80/00/17/555800017.db2.gz KSHURGYETIVMEM-UHFFFAOYSA-N 0 0 478.599 4.414 50 0 JIAARN CCn1c2ccc(C)cc2s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000011726365 555806473 /nfs/dbraw/zinc/80/64/73/555806473.db2.gz DWILKDHTLYSWRS-WCWDXBQESA-N 0 0 457.621 4.193 50 0 JIAARN Cc1ccc(Cl)cc1N(C)C(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000020557019 555808876 /nfs/dbraw/zinc/80/88/76/555808876.db2.gz RAKFCUUAYHNIOW-KRWDZBQOSA-N 0 0 452.990 4.394 50 0 JIAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 ZINC000011779822 555812367 /nfs/dbraw/zinc/81/23/67/555812367.db2.gz QDKASPVFVSHDJF-GOSISDBHSA-N 0 0 451.596 4.226 50 0 JIAARN COc1cc([C@@H](CC(=O)N2CCc3ccccc3C2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561572 555812713 /nfs/dbraw/zinc/81/27/13/555812713.db2.gz PSUHYUQZRNUOFV-XMMPIXPASA-N 0 0 486.568 4.385 50 0 JIAARN CN1C(=O)C[C@@](CC(=O)N2CCC[C@H]2c2nccs2)(c2ccc(-c3ccccc3)cc2)C1=O ZINC000011782535 555813126 /nfs/dbraw/zinc/81/31/26/555813126.db2.gz ZKDJVFYJFAZHMA-HFZDXXHNSA-N 0 0 459.571 4.190 50 0 JIAARN Cc1nc2cc(NS(C)(=O)=O)cc(C(=O)NC3(c4ccccc4)CC3)c2n1Cc1ccccc1 ZINC000011782604 555813367 /nfs/dbraw/zinc/81/33/67/555813367.db2.gz RKDYYRQOGAIOMH-UHFFFAOYSA-N 0 0 474.586 4.184 50 0 JIAARN C[C@H](c1ccon1)N(C)C(=O)C1CCN(c2cccc3c2C(=O)N(C2CCCCCC2)C3=O)CC1 ZINC000011782968 555813945 /nfs/dbraw/zinc/81/39/45/555813945.db2.gz SYWBTRPUIIUQSJ-GOSISDBHSA-N 0 0 478.593 4.429 50 0 JIAARN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccc(C(C)C)cc3)C2)nn1 ZINC000011783374 555814259 /nfs/dbraw/zinc/81/42/59/555814259.db2.gz BRHYKIZXQFIJBC-QPPBQGQZSA-N 0 0 493.633 4.364 50 0 JIAARN COc1cc(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc(Cl)c1OC ZINC000014498964 555815240 /nfs/dbraw/zinc/81/52/40/555815240.db2.gz NIDPKXSRBKJXEE-UHFFFAOYSA-N 0 0 477.348 4.019 50 0 JIAARN C[C@@H](C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)n1c(=O)oc2ccccc21 ZINC000014506501 555815489 /nfs/dbraw/zinc/81/54/89/555815489.db2.gz RKECRGMYUHJKPR-IBGZPJMESA-N 0 0 452.514 4.384 50 0 JIAARN CSc1ccc(CCNC(=O)[C@H](C)n2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)cc1 ZINC000020563694 555815802 /nfs/dbraw/zinc/81/58/02/555815802.db2.gz MJPBFUSCEMIUDZ-IBGZPJMESA-N 0 0 475.618 4.149 50 0 JIAARN CCOc1ccc(CCNC(=O)[C@@H](CC)n2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)cc1 ZINC000020563824 555816022 /nfs/dbraw/zinc/81/60/22/555816022.db2.gz RHVNAWUNPMCASX-XMMPIXPASA-N 0 0 487.604 4.216 50 0 JIAARN CC(C)CC(=O)[C@@H]1CCCN(C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C)C2=O)C1 ZINC000011787638 555821885 /nfs/dbraw/zinc/82/18/85/555821885.db2.gz LMMCRVUZYNDMPN-RNWIMVQKSA-N 0 0 474.601 4.224 50 0 JIAARN COc1cccc(CN(C)C(=O)C[C@]2(c3ccccc3C)CC(=O)N(Cc3ccccc3)C2=O)c1 ZINC000011789042 555823627 /nfs/dbraw/zinc/82/36/27/555823627.db2.gz JDGCXBOXMDLSQU-GDLZYMKVSA-N 0 0 470.569 4.249 50 0 JIAARN O=C(COc1ccc2ccc(=O)oc2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020573540 555825318 /nfs/dbraw/zinc/82/53/18/555825318.db2.gz AGCZSGMQXJQNMB-UHFFFAOYSA-N 0 0 454.526 4.106 50 0 biogenic JIAARN Cc1cccc(N2C(=O)CS[C@@]23c2ccccc2N(CC(=O)Nc2ccc(F)cc2)C3=O)c1 ZINC000020573897 555826229 /nfs/dbraw/zinc/82/62/29/555826229.db2.gz DYBVXMNSRIJRLT-RUZDIDTESA-N 0 0 461.518 4.052 50 0 JIAARN Cc1cc(C)cc(N2C(=O)CS[C@@]23c2ccccc2N(CC(=O)Nc2ccccc2F)C3=O)c1 ZINC000020574177 555828184 /nfs/dbraw/zinc/82/81/84/555828184.db2.gz TYGLADTWNSNAGH-AREMUKBSSA-N 0 0 475.545 4.361 50 0 JIAARN O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N1CCC(Cc3ccccc3)CC1)C2)c1ccco1 ZINC000011814067 555829581 /nfs/dbraw/zinc/82/95/81/555829581.db2.gz BTXSADNDYKDLGT-SFHVURJKSA-N 0 0 463.559 4.215 50 0 JIAARN O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)N1CCC(Cc3ccccc3)CC1)C2)c1ccco1 ZINC000011814068 555829617 /nfs/dbraw/zinc/82/96/17/555829617.db2.gz BTXSADNDYKDLGT-GOSISDBHSA-N 0 0 463.559 4.215 50 0 JIAARN C[C@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000020574808 555829835 /nfs/dbraw/zinc/82/98/35/555829835.db2.gz WDZLRQWANGNHQP-VXGBXAGGSA-N 0 0 488.509 4.066 50 0 JIAARN O=C(C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O)N1CCC([C@H](O)c2cccs2)CC1 ZINC000011814606 555829852 /nfs/dbraw/zinc/82/98/52/555829852.db2.gz XVUCHDWVNKHGAM-AHKZPQOWSA-N 0 0 498.620 4.189 50 0 JIAARN O=C(C[C@@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O)N1CCC([C@H](O)c2cccs2)CC1 ZINC000011814601 555829872 /nfs/dbraw/zinc/82/98/72/555829872.db2.gz XVUCHDWVNKHGAM-BDYUSTAISA-N 0 0 498.620 4.189 50 0 JIAARN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CCOc3ccc(Cl)cc3C1)C2 ZINC000014540102 555830121 /nfs/dbraw/zinc/83/01/21/555830121.db2.gz VYDCTXRYKASJNA-FQEVSTJZSA-N 0 0 457.018 4.325 50 0 JIAARN COC(=O)c1c(NC(=O)c2ccccc2)c2cc(NCC(C)C)cnc2n1C[C@@H]1CCCO1 ZINC000014540551 555830772 /nfs/dbraw/zinc/83/07/72/555830772.db2.gz SSBYFECMBBUKJA-IBGZPJMESA-N 0 0 450.539 4.322 50 0 JIAARN COc1ccc(OC)c([C@H](C)NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)c1 ZINC000011829566 555831537 /nfs/dbraw/zinc/83/15/37/555831537.db2.gz GJQCFAHBYWOFQF-KRWDZBQOSA-N 0 0 469.607 4.429 50 0 JIAARN Cc1nnc(SCCNC(=O)C2CCN(c3nc(C)c4cc(C(C)C)ccc4n3)CC2)s1 ZINC000011838863 555832240 /nfs/dbraw/zinc/83/22/40/555832240.db2.gz VQXCEDYLEKLDKR-UHFFFAOYSA-N 0 0 470.668 4.346 50 0 JIAARN Cc1ccc(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000020581595 555834799 /nfs/dbraw/zinc/83/47/99/555834799.db2.gz KMAMCZOZYJKBAQ-MSOLQXFVSA-N 0 0 458.889 4.275 50 0 JIAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccccc1I ZINC000014571080 555835100 /nfs/dbraw/zinc/83/51/00/555835100.db2.gz ORTCMFYXBKUFSR-UHFFFAOYSA-N 0 0 481.721 4.234 50 0 JIAARN CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C=Cc2ccc3c(c2)OCO3)n1 ZINC000011855604 555837130 /nfs/dbraw/zinc/83/71/30/555837130.db2.gz JAOYYQLNCLUJPT-VURMDHGXSA-N 0 0 475.530 4.188 50 0 JIAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000020588607 555837445 /nfs/dbraw/zinc/83/74/45/555837445.db2.gz PAIPUBNVMZPEEV-UHFFFAOYSA-N 0 0 470.525 4.310 50 0 biogenic JIAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3ccc(CN4CCOCC4)cc3)c(C)c21 ZINC000020591889 555838307 /nfs/dbraw/zinc/83/83/07/555838307.db2.gz YHMJYJJEXSERBG-UHFFFAOYSA-N 0 0 460.530 4.478 50 0 JIAARN COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC(F)F)cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000011859563 555838898 /nfs/dbraw/zinc/83/88/98/555838898.db2.gz NIFZWSXERABNCS-FSSWDIPSSA-N 0 0 466.440 4.348 50 0 JIAARN COC(=O)c1cc(C)sc1NC(=O)Cn1nc(C)c2c1nc(C1CC1)cc2C(F)(F)F ZINC000020602537 555843807 /nfs/dbraw/zinc/84/38/07/555843807.db2.gz QHJOGNWFTJTIIW-UHFFFAOYSA-N 0 0 452.458 4.431 50 0 JIAARN O=C(CCN1c2ccccc2Sc2ncccc2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000020603491 555844074 /nfs/dbraw/zinc/84/40/74/555844074.db2.gz RMBJLLTXTGIZSU-UHFFFAOYSA-N 0 0 462.550 4.071 50 0 JIAARN COCCn1cc(C(=O)NCC2(c3ccccc3)CCCC2)c(=O)c(C(=O)N2CCCCCCC2)c1 ZINC000011867968 555845191 /nfs/dbraw/zinc/84/51/91/555845191.db2.gz VLWNCWCUYSKZMV-UHFFFAOYSA-N 0 0 493.648 4.143 50 0 JIAARN CSc1ccc(C[C@@]2(CCC(=O)N[C@H](c3cccnc3)C(F)(F)F)CCC(=O)N2)cc1 ZINC000015000595 555845455 /nfs/dbraw/zinc/84/54/55/555845455.db2.gz KWCSFJLEVYRIFB-NHCUHLMSSA-N 0 0 451.514 4.195 50 0 JIAARN O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000020644046 555846023 /nfs/dbraw/zinc/84/60/23/555846023.db2.gz XMXOAGVFJWYQPD-UHFFFAOYSA-N 0 0 497.064 4.477 50 0 JIAARN COC(=O)[C@H](CCSC)NC(=O)c1cc(NC(=O)C(C)C)cc2nc(C)n(Cc3ccccc3)c21 ZINC000015001517 555846542 /nfs/dbraw/zinc/84/65/42/555846542.db2.gz JWXYLOLPOXDPSD-NRFANRHFSA-N 0 0 496.633 4.012 50 0 JIAARN COCC[C@@H]1CCCCN1C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O ZINC000011871838 555847135 /nfs/dbraw/zinc/84/71/35/555847135.db2.gz BVEVYSOZDSSWEI-OUTSHDOLSA-N 0 0 474.601 4.320 50 0 JIAARN Cc1ccc2nc(N3CCC(C(=O)N4CCC([C@H](O)Cc5ccccc5)CC4)CC3)nc(C)c2c1 ZINC000011872466 555847562 /nfs/dbraw/zinc/84/75/62/555847562.db2.gz VPIZEADIGAMWDE-HHHXNRCGSA-N 0 0 472.633 4.305 50 0 JIAARN Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)c1ccc(-c3ccccc3F)cc1)CC2 ZINC000011881066 555849341 /nfs/dbraw/zinc/84/93/41/555849341.db2.gz VRMJCXBBCMAXAY-NRFANRHFSA-N 0 0 462.525 4.085 50 0 JIAARN CC(C)Cn1c(CNS(=O)(=O)c2ccc(F)cc2)nnc1SCc1ccccc1Cl ZINC000011882187 555850615 /nfs/dbraw/zinc/85/06/15/555850615.db2.gz FJBMYQRSKIOJAN-UHFFFAOYSA-N 0 0 469.007 4.497 50 0 JIAARN COCc1ccc(C(=O)N2CCC(n3c(Cc4cccc(OC)c4)nc4cccnc43)CC2)o1 ZINC000015008325 555852673 /nfs/dbraw/zinc/85/26/73/555852673.db2.gz RGXCZRTWNBTNLB-UHFFFAOYSA-N 0 0 460.534 4.247 50 0 JIAARN CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1=O ZINC000011910744 555858344 /nfs/dbraw/zinc/85/83/44/555858344.db2.gz UWZDHBIEBNUVFM-VWLOTQADSA-N 0 0 457.574 4.427 50 0 JIAARN CCn1c(CCC(=O)OCc2csc(-c3ccccc3)n2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000021992615 555859882 /nfs/dbraw/zinc/85/98/82/555859882.db2.gz PEZVQQWMHQJOII-UHFFFAOYSA-N 0 0 498.630 4.106 50 0 JIAARN COc1ccc(NC(C)=O)c(NC2=C(C(=O)Nc3ccc(C)cc3)S(=O)(=O)c3ccccc32)c1 ZINC000015019214 555860540 /nfs/dbraw/zinc/86/05/40/555860540.db2.gz RJFRRNOGINPUQP-UHFFFAOYSA-N 0 0 477.542 4.169 50 0 JIAARN CCN(Cc1ccc(Br)s1)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000022017338 555861896 /nfs/dbraw/zinc/86/18/96/555861896.db2.gz PKQDCSCEEIMDBS-UHFFFAOYSA-N 0 0 465.394 4.221 50 0 JIAARN COCc1ccc(C(=O)NCc2nnc(SCc3ccccc3)n2-c2ccc(OC)cc2)o1 ZINC000011913262 555863131 /nfs/dbraw/zinc/86/31/31/555863131.db2.gz BSJCLICIBDJMOC-UHFFFAOYSA-N 0 0 464.547 4.238 50 0 JIAARN Cc1c2cc(C)ccc2oc1C(=O)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000011914206 555864670 /nfs/dbraw/zinc/86/46/70/555864670.db2.gz AOWVSJNJXDDQGC-CQSZACIVSA-N 0 0 466.353 4.235 50 0 JIAARN ON(c1c(Br)cc(F)cc1Br)[C@@H]1CCCC=C1N1CCOCC1 ZINC000015024381 555864739 /nfs/dbraw/zinc/86/47/39/555864739.db2.gz WZCVEDMDBUSOGD-OAHLLOKOSA-N 0 0 450.146 4.315 50 0 JIAARN Cc1c2ccc(C)cc2oc1C(=O)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 ZINC000011914252 555864896 /nfs/dbraw/zinc/86/48/96/555864896.db2.gz LAKIBGFSBNLEOX-AWEZNQCLSA-N 0 0 466.353 4.235 50 0 JIAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(F)cc2)c(C(=O)Nc2ccccc2)n1 ZINC000011914686 555865487 /nfs/dbraw/zinc/86/54/87/555865487.db2.gz GKAXBEZZQNGBKT-UHFFFAOYSA-N 0 0 494.548 4.461 50 0 JIAARN CCOC(=O)c1sc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)c(C(=O)OCC)c1C ZINC000011915905 555867282 /nfs/dbraw/zinc/86/72/82/555867282.db2.gz KFYGTOYZABGVLZ-UHFFFAOYSA-N 0 0 457.504 4.385 50 0 JIAARN Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2cccc(F)c2)cc1 ZINC000011916567 555867619 /nfs/dbraw/zinc/86/76/19/555867619.db2.gz QPOWKGFIZRFJNA-UHFFFAOYSA-N 0 0 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ZINC000012342547 555955518 /nfs/dbraw/zinc/95/55/18/555955518.db2.gz DOHNHECYPDVKPO-UHFFFAOYSA-N 0 0 456.589 4.470 50 0 JIAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCCc1ccccc1Cl ZINC000015722664 555957783 /nfs/dbraw/zinc/95/77/83/555957783.db2.gz ABXZVZPAYINBEV-UHFFFAOYSA-N 0 0 474.026 4.218 50 0 JIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2cccnc2)cc1 ZINC000012363549 555958865 /nfs/dbraw/zinc/95/88/65/555958865.db2.gz IBNYOZFBMUUHEX-NRFANRHFSA-N 0 0 464.909 4.110 50 0 JIAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCCC1)N(c1cccc(Cl)c1)C2=O ZINC000015723959 555959244 /nfs/dbraw/zinc/95/92/44/555959244.db2.gz ZFDZYNPSFHQGQE-VWLOTQADSA-N 0 0 487.000 4.361 50 0 JIAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCCC1)N(c1ccc(Cl)cc1)C2=O ZINC000015723965 555959284 /nfs/dbraw/zinc/95/92/84/555959284.db2.gz AHVQASSTTCGGHW-VWLOTQADSA-N 0 0 487.000 4.361 50 0 JIAARN O=C1CS[C@@]2(c3ccccc3N(CN3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccccc1 ZINC000012376176 555963362 /nfs/dbraw/zinc/96/33/62/555963362.db2.gz CYRHMXCKSGVZIU-KDYSTLNUSA-N 0 0 455.583 4.413 50 0 JIAARN O=C(CCN1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)Nc1ccccc1F ZINC000022894336 555964527 /nfs/dbraw/zinc/96/45/27/555964527.db2.gz JUUMEPFDMDDKOH-UHFFFAOYSA-N 0 0 486.897 4.083 50 0 JIAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1F ZINC000015727900 555967028 /nfs/dbraw/zinc/96/70/28/555967028.db2.gz KTIYUDQELMLBJW-UHFFFAOYSA-N 0 0 461.449 4.015 50 0 JIAARN Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)N(c2ccc(F)c(Cl)c2)C(=O)CS3(=O)=O)c1 ZINC000015728287 555968256 /nfs/dbraw/zinc/96/82/56/555968256.db2.gz JMWOGGAZPBUABU-RUZDIDTESA-N 0 0 498.963 4.257 50 0 JIAARN O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1nnc(-c2ccccc2)o1 ZINC000022913287 555968406 /nfs/dbraw/zinc/96/84/06/555968406.db2.gz QRJYPJDEXZBLJI-UHFFFAOYSA-N 0 0 489.526 4.361 50 0 JIAARN COc1ccc(C=C(NC(=O)c2cccs2)C(=O)Nc2cccc(C(C)=O)c2)cc1OC ZINC000012380227 555968655 /nfs/dbraw/zinc/96/86/55/555968655.db2.gz DVNFSTJDHQGNBB-XDHOZWIPSA-N 0 0 450.516 4.378 50 0 JIAARN CC(C)OC(=O)c1c(NC(=O)CN2CCN(Cc3ccccc3)CC2)sc2c1CC[C@@H](C)C2 ZINC000022918212 555971908 /nfs/dbraw/zinc/97/19/08/555971908.db2.gz NCWVOPGZRZGDTP-LJQANCHMSA-N 0 0 469.651 4.194 50 0 JIAARN CCc1ccccc1NC(=O)CN1CCN(CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)CC1 ZINC000022919282 555973362 /nfs/dbraw/zinc/97/33/62/555973362.db2.gz JUFSJAOTNWMPQP-QHCPKHFHSA-N 0 0 484.644 4.350 50 0 JIAARN Cc1sc2nc(CN3CCN(Cc4csc(COc5ccc(F)cc5)n4)CC3)[nH]c(=O)c2c1C ZINC000022920183 555973635 /nfs/dbraw/zinc/97/36/35/555973635.db2.gz ACIZHCYJGBYSEW-UHFFFAOYSA-N 0 0 499.637 4.094 50 0 JIAARN COc1ccc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1Br ZINC000012393223 555974983 /nfs/dbraw/zinc/97/49/83/555974983.db2.gz XTVILMSOZJYCDJ-UHFFFAOYSA-N 0 0 457.290 4.435 50 0 JIAARN O=S(=O)(NC[C@H](c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccccc1 ZINC000022921131 555975032 /nfs/dbraw/zinc/97/50/32/555975032.db2.gz ROXUOFGTTASHEN-JOCHJYFZSA-N 0 0 476.067 4.239 50 0 JIAARN C[C@@H](c1ccccc1)N1C(=O)N[C@](NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C1=O ZINC000012401894 555976049 /nfs/dbraw/zinc/97/60/49/555976049.db2.gz MVIPKBONDNRANB-YPMLDQLKSA-N 0 0 460.239 4.295 50 0 JIAARN C=C1C(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000015732940 555977629 /nfs/dbraw/zinc/97/76/29/555977629.db2.gz QLFAXCDJDXMJMN-UHFFFAOYSA-N 0 0 455.555 4.266 50 0 JIAARN O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)Nc1ccc(CN2CCOCC2)cc1 ZINC000015733418 555978413 /nfs/dbraw/zinc/97/84/13/555978413.db2.gz HHEQXDYLFODEAP-UHFFFAOYSA-N 0 0 470.529 4.253 50 0 JIAARN Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)NCCc1c[nH]c2ccccc12 ZINC000015734428 555980129 /nfs/dbraw/zinc/98/01/29/555980129.db2.gz IEZAPJZINRAOQO-UHFFFAOYSA-N 0 0 471.609 4.042 50 0 JIAARN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC000022928822 555980182 /nfs/dbraw/zinc/98/01/82/555980182.db2.gz KTIQVXHOTXDVNX-FQXADJFYSA-N 0 0 452.668 4.448 50 0 JIAARN Cn1cc(C(=O)N2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)c(=O)c2ccccc21 ZINC000012451153 555980876 /nfs/dbraw/zinc/98/08/76/555980876.db2.gz JWRJOYFMYUFNGV-VWLOTQADSA-N 0 0 497.639 4.409 50 0 JIAARN CSc1ccc(CN(C)C(=O)CN2CCN(Cc3ccc(Br)s3)CC2)cc1 ZINC000022929541 555982066 /nfs/dbraw/zinc/98/20/66/555982066.db2.gz MFLADUUOODKQBB-UHFFFAOYSA-N 0 0 468.486 4.009 50 0 JIAARN CN(c1ccc(OCC(=O)Nc2cccc(Cl)c2F)cc1)S(=O)(=O)c1cccs1 ZINC000015760982 555985571 /nfs/dbraw/zinc/98/55/71/555985571.db2.gz TWKGKAMDPACQGN-UHFFFAOYSA-N 0 0 454.932 4.383 50 0 JIAARN Cc1[nH]c2ccccc2c1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000015762374 555985646 /nfs/dbraw/zinc/98/56/46/555985646.db2.gz CBUOIEQJLMBJOU-UHFFFAOYSA-N 0 0 496.814 4.039 50 0 JIAARN CC(C)c1nn2c(nc(COC(=O)c3cccc(NC(=O)C4CCCCC4)c3)cc2=O)s1 ZINC000015771532 555989968 /nfs/dbraw/zinc/98/99/68/555989968.db2.gz NWNOYMKXFAWDKN-UHFFFAOYSA-N 0 0 454.552 4.150 50 0 JIAARN CCCCc1nn2c(nc(COC(=O)c3cccc(NC(=O)c4ccccc4C)c3)cc2=O)s1 ZINC000015771921 555991061 /nfs/dbraw/zinc/99/10/61/555991061.db2.gz BGDHCMNWRCEYHN-UHFFFAOYSA-N 0 0 476.558 4.411 50 0 JIAARN CCCCc1nn2c(nc(COC(=O)c3cccc(NC(=O)c4ccc(C)cc4)c3)cc2=O)s1 ZINC000015771905 555991084 /nfs/dbraw/zinc/99/10/84/555991084.db2.gz DQEDXOXYBTVMQJ-UHFFFAOYSA-N 0 0 476.558 4.411 50 0 JIAARN CCCCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)CCc3ccccc3)cc2=O)s1 ZINC000015771968 555991298 /nfs/dbraw/zinc/99/12/98/555991298.db2.gz JIVQOJCGIBKNLP-UHFFFAOYSA-N 0 0 490.585 4.422 50 0 JIAARN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)c2)c1 ZINC000012521029 555991917 /nfs/dbraw/zinc/99/19/17/555991917.db2.gz DEKOLJZAKMFKML-QHCPKHFHSA-N 0 0 467.591 4.346 50 0 JIAARN Cc1ccc(C(C)C)cc1OC[C@H](O)CN1CCN(C[C@@H](O)COc2cc(C(C)C)ccc2C)CC1 ZINC000022943414 555993422 /nfs/dbraw/zinc/99/34/22/555993422.db2.gz ORKYVIHPLKAZNX-VSGBNLITSA-N 0 0 498.708 4.347 50 0 JIAARN Cc1ccc(C(C)C)cc1OC[C@H](O)CN1CCN(C[C@H](O)COc2cc(C(C)C)ccc2C)CC1 ZINC000022943420 555993446 /nfs/dbraw/zinc/99/34/46/555993446.db2.gz ORKYVIHPLKAZNX-HNRBIFIRSA-N 0 0 498.708 4.347 50 0 JIAARN C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000012528667 555997165 /nfs/dbraw/zinc/99/71/65/555997165.db2.gz VNBKMQNSYWVRPU-VWLOTQADSA-N 0 0 481.455 4.486 50 0 JIAARN Brc1ccc(CN2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)s1 ZINC000015779505 555997851 /nfs/dbraw/zinc/99/78/51/555997851.db2.gz KFFBNUDTBRJWHX-UHFFFAOYSA-N 0 0 470.440 4.186 50 0 JIAARN CCn1c2c(nc(CCC(=O)Nc3cc(C)ccc3OC)c1=O)c(C)nn2-c1ccc(C)cc1 ZINC000015780013 555998764 /nfs/dbraw/zinc/99/87/64/555998764.db2.gz COVCBLJVEOLQAP-UHFFFAOYSA-N 0 0 459.550 4.107 50 0 JIAARN COc1ccc(OC)c2sc(N(CCN3CCOCC3)C(=O)c3cccc(C(F)(F)F)c3)nc21 ZINC000022998660 555998903 /nfs/dbraw/zinc/99/89/03/555998903.db2.gz QEXGBKPXXDWEQV-UHFFFAOYSA-N 0 0 495.523 4.311 50 0 JIAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccccc2Br)c2cccs2)cc1 ZINC000015780923 555999868 /nfs/dbraw/zinc/99/98/68/555999868.db2.gz IHWBQQNZRGWINK-IBGZPJMESA-N 0 0 480.405 4.464 50 0 JIAARN CCCCn1c(COC(=O)C2(c3ccccc3)CCCC2)nc2cc(S(N)(=O)=O)ccc21 ZINC000012530265 556000323 /nfs/dbraw/zinc/00/03/23/556000323.db2.gz DCIWLNJOIUWBCJ-UHFFFAOYSA-N 0 0 455.580 4.039 50 0 JIAARN CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc21 ZINC000015781533 556000782 /nfs/dbraw/zinc/00/07/82/556000782.db2.gz OYYXHUIJYXMCQH-UHFFFAOYSA-N 0 0 456.589 4.257 50 0 JIAARN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(Cl)cc1 ZINC000012531850 556001776 /nfs/dbraw/zinc/00/17/76/556001776.db2.gz BVWOHKYQNYSEHF-UHFFFAOYSA-N 0 0 466.987 4.319 50 0 JIAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000023043342 556001992 /nfs/dbraw/zinc/00/19/92/556001992.db2.gz DRMQNGCXBSRPPH-AMGIVPHBSA-N 0 0 469.566 4.260 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c2)C[C@H](C)O1 ZINC000012531861 556002052 /nfs/dbraw/zinc/00/20/52/556002052.db2.gz YISCCHLTNCNXOS-BGYRXZFFSA-N 0 0 480.586 4.316 50 0 JIAARN C[C@H](SC1=Nc2ccccc2C2=N[C@@H](Cc3ccccc3)C(=O)N21)C(=O)NCc1cccs1 ZINC000015783700 556002207 /nfs/dbraw/zinc/00/22/07/556002207.db2.gz NCLBVMDMXYHIBD-KKSFZXQISA-N 0 0 474.611 4.387 50 0 JIAARN CCCN(Cc1ccc(C)cc1)C(=O)CSc1nnc(N2CCOCC2)n1-c1ccc(C)cc1 ZINC000023053467 556002609 /nfs/dbraw/zinc/00/26/09/556002609.db2.gz XDRHQPAJPHQLNR-UHFFFAOYSA-N 0 0 479.650 4.252 50 0 JIAARN Cc1ccccc1-n1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2cc(Cl)ccc2c1=O ZINC000023054933 556002896 /nfs/dbraw/zinc/00/28/96/556002896.db2.gz NMQZPJWIDGNHHI-UHFFFAOYSA-N 0 0 491.960 4.248 50 0 JIAARN CC(C)n1ncc2cc(NC(=O)Cc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)cnc21 ZINC000023079591 556006423 /nfs/dbraw/zinc/00/64/23/556006423.db2.gz GVSMFQAICZFLFE-UHFFFAOYSA-N 0 0 467.526 4.133 50 0 JIAARN CCOC(=O)Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1 ZINC000015787089 556006804 /nfs/dbraw/zinc/00/68/04/556006804.db2.gz VQLCUMSTAPUHAS-UHFFFAOYSA-N 0 0 486.528 4.332 50 0 JIAARN O=C(Cn1nc(-c2ccco2)c2sc(N3CCCC3)nc2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000023109061 556010029 /nfs/dbraw/zinc/01/00/29/556010029.db2.gz VJOOBTXUFSIFRX-UHFFFAOYSA-N 0 0 473.917 4.144 50 0 JIAARN Cc1ccc(NC(=O)CSCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000012536923 556010059 /nfs/dbraw/zinc/01/00/59/556010059.db2.gz NTRAWMUAGBLIBG-UHFFFAOYSA-N 0 0 451.514 4.034 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2CC)cc1 ZINC000023119015 556012437 /nfs/dbraw/zinc/01/24/37/556012437.db2.gz ZDTNKVHAHCWCBB-UHFFFAOYSA-N 0 0 476.558 4.319 50 0 JIAARN COc1ccc(NC(=O)COc2cc(CSc3nc(C)cs3)ncc2OC)c(OC)c1 ZINC000015823814 556012694 /nfs/dbraw/zinc/01/26/94/556012694.db2.gz OXRMWTPBTWWCHC-UHFFFAOYSA-N 0 0 461.565 4.182 50 0 JIAARN Cc1cccn2cc(COc3cccc(C(=O)Nc4ccccc4C(=O)NC[C@H]4CCCO4)c3)nc12 ZINC000012539455 556012738 /nfs/dbraw/zinc/01/27/38/556012738.db2.gz UVMOOZXWXCDXFG-HSZRJFAPSA-N 0 0 484.556 4.383 50 0 JIAARN COc1cnc(CSc2ncccn2)cc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000015824348 556012947 /nfs/dbraw/zinc/01/29/47/556012947.db2.gz GWDYFMOZVHRUSJ-UHFFFAOYSA-N 0 0 450.442 4.209 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C)cc1 ZINC000015826007 556013532 /nfs/dbraw/zinc/01/35/32/556013532.db2.gz VTRRQXQURAEUHR-MRXNPFEDSA-N 0 0 481.599 4.042 50 0 JIAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000012539900 556013701 /nfs/dbraw/zinc/01/37/01/556013701.db2.gz WFVJJLSAPKOKGO-UHFFFAOYSA-N 0 0 480.615 4.036 50 0 JIAARN O=C(Cn1c2ccccc2nc1-c1cscn1)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000012540398 556013964 /nfs/dbraw/zinc/01/39/64/556013964.db2.gz QWPOWMMVFGNFQC-UHFFFAOYSA-N 0 0 454.939 4.291 50 0 JIAARN COc1ccccc1C(=O)N1CCC(c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000015827901 556015196 /nfs/dbraw/zinc/01/51/96/556015196.db2.gz NSUVSOIINURYLI-UHFFFAOYSA-N 0 0 456.955 4.472 50 0 JIAARN Cc1oc(-c2ccc(Cl)cc2)nc1Cn1c2ccccc2c(=O)n(C[C@H]2CCCO2)c1=O ZINC000015829333 556016089 /nfs/dbraw/zinc/01/60/89/556016089.db2.gz WSNOMAOYESEFBJ-GOSISDBHSA-N 0 0 451.910 4.007 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1C ZINC000023127044 556016947 /nfs/dbraw/zinc/01/69/47/556016947.db2.gz AODXOVYXOWIXQS-UHFFFAOYSA-N 0 0 465.556 4.179 50 0 JIAARN CC[C@@]1(C)Cc2ccccc2-c2nc3n(CC(=O)Nc4ccc(C)cc4)nc(SC)n3c(=O)c21 ZINC000015839209 556022536 /nfs/dbraw/zinc/02/25/36/556022536.db2.gz LCCKUIFIVOPZAN-SANMLTNESA-N 0 0 473.602 4.451 50 0 JIAARN COc1cc(C(=O)N[C@@H](c2nccn2C)c2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000012547622 556024419 /nfs/dbraw/zinc/02/44/19/556024419.db2.gz ISXKDYKFRICAAW-RUZDIDTESA-N 0 0 488.519 4.105 50 0 JIAARN COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCCC1 ZINC000012547754 556024772 /nfs/dbraw/zinc/02/47/72/556024772.db2.gz XKEGNZDKHGXFII-UHFFFAOYSA-N 0 0 476.558 4.275 50 0 JIAARN COc1ccc([C@H]2Oc3ccccc3-n3c(-c4ccc(C)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000015858915 556027217 /nfs/dbraw/zinc/02/72/17/556027217.db2.gz QJNNIPIBXIXODC-HHHXNRCGSA-N 0 0 479.536 4.494 50 0 JIAARN COc1cccc([C@H]2Oc3ccccc3-n3c(-c4ccc(C)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1 ZINC000015858913 556027265 /nfs/dbraw/zinc/02/72/65/556027265.db2.gz MSYNFBTYRPSLKG-HHHXNRCGSA-N 0 0 479.536 4.494 50 0 JIAARN Cc1ccc(-c2c3c(c4n2-c2cc(C)ccc2O[C@@H]4c2ccc(O)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000015858958 556027820 /nfs/dbraw/zinc/02/78/20/556027820.db2.gz RJFCZWXGBDSNCG-HHHXNRCGSA-N 0 0 479.536 4.499 50 0 JIAARN COc1ccccc1N1CCN([C@@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000023182145 556028381 /nfs/dbraw/zinc/02/83/81/556028381.db2.gz JYIHYNKMUQPQIY-MHECFPHRSA-N 0 0 489.638 4.126 50 0 JIAARN COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2OCC(=O)N2CCCC2)c1 ZINC000012549188 556028551 /nfs/dbraw/zinc/02/85/51/556028551.db2.gz GWLFTQDZELNFEO-AREMUKBSSA-N 0 0 457.530 4.468 50 0 JIAARN CCC(=O)Nc1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)c1C ZINC000023184527 556029502 /nfs/dbraw/zinc/02/95/02/556029502.db2.gz VEMOKRKABNTJDM-VWLOTQADSA-N 0 0 491.613 4.406 50 0 JIAARN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000012550055 556030713 /nfs/dbraw/zinc/03/07/13/556030713.db2.gz DCSAQUXONCOMNW-UHFFFAOYSA-N 0 0 468.545 4.347 50 0 JIAARN CC[C@H](c1nnc(SCC(=O)NC(=O)c2ccc(Cl)cc2)n1Cc1ccccc1)N(C)C ZINC000012550830 556032322 /nfs/dbraw/zinc/03/23/22/556032322.db2.gz KVOCPHAYIUASCZ-LJQANCHMSA-N 0 0 472.014 4.041 50 0 JIAARN CC(=O)c1ccc(N2CCN(Cn3nc(C4CC4)n(-c4ccccc4)c3=S)CC2)c(F)c1 ZINC000012551065 556032697 /nfs/dbraw/zinc/03/26/97/556032697.db2.gz ZBYLVMHJFSLMMP-UHFFFAOYSA-N 0 0 451.571 4.402 50 0 JIAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)n[nH]2)cc1S(=O)(=O)N1CCCCC1 ZINC000015860816 556032714 /nfs/dbraw/zinc/03/27/14/556032714.db2.gz DALWHFIGUBFIAB-UHFFFAOYSA-N 0 0 468.579 4.129 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000012551216 556033015 /nfs/dbraw/zinc/03/30/15/556033015.db2.gz HCIOTRVSZCUOLM-INIZCTEOSA-N 0 0 475.014 4.267 50 0 JIAARN c1c(CN2CCN(Cc3nnc4n3CCCCC4)CC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000023248798 556034698 /nfs/dbraw/zinc/03/46/98/556034698.db2.gz CVDJDWHSAGKZJQ-UHFFFAOYSA-N 0 0 467.621 4.175 50 0 JIAARN 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ZINC000023990041 556114476 /nfs/dbraw/zinc/11/44/76/556114476.db2.gz JICMVWMFMJZEKH-KRWDZBQOSA-N 0 0 483.663 4.473 50 0 JIAARN O=S(=O)(c1ccc(-c2csc(-c3cccc(Br)c3)n2)cc1)N1CCOCC1 ZINC000012805000 556114883 /nfs/dbraw/zinc/11/48/83/556114883.db2.gz DTMBJMZAFWMFTI-UHFFFAOYSA-N 0 0 465.394 4.261 50 0 JIAARN CCOc1ccc([C@@H](c2c(O)cc(C)n(CC)c2=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000024022955 556116653 /nfs/dbraw/zinc/11/66/53/556116653.db2.gz NAMFDHCJPFVFMT-SANMLTNESA-N 0 0 465.569 4.332 50 0 JIAARN CCOC(=O)C1CCN([C@@H](c2ccc(Cl)cc2)c2c(O)cc(C)n(Cc3cccnc3)c2=O)CC1 ZINC000024023090 556116936 /nfs/dbraw/zinc/11/69/36/556116936.db2.gz LMNUUYBUYSLUCD-VWLOTQADSA-N 0 0 496.007 4.324 50 0 JIAARN COc1ccc(NC(=O)COC(=O)CSc2nnc(NC3CCCCC3)s2)cc1Cl ZINC000016043562 556122775 /nfs/dbraw/zinc/12/27/75/556122775.db2.gz IVSUUABNRGNRBJ-UHFFFAOYSA-N 0 0 471.004 4.219 50 0 JIAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)C(=O)NCC1CCCCC1 ZINC000016044368 556124319 /nfs/dbraw/zinc/12/43/19/556124319.db2.gz 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Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)c(Cl)c2)cc1 ZINC000024437875 556131220 /nfs/dbraw/zinc/13/12/20/556131220.db2.gz BZYCTPYHSLAULW-UHFFFAOYSA-N 0 0 478.979 4.105 50 0 JIAARN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000024457529 556131537 /nfs/dbraw/zinc/13/15/37/556131537.db2.gz XAMQYNDVDDVJHX-UHFFFAOYSA-N 0 0 459.594 4.177 50 0 JIAARN CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)c1 ZINC000016274353 556132280 /nfs/dbraw/zinc/13/22/80/556132280.db2.gz QCFAILRZOZPDQE-UHFFFAOYSA-N 0 0 489.391 4.209 50 0 JIAARN O=C(O[C@H](c1cc(F)cc(F)c1)C(F)(F)F)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012915499 556134559 /nfs/dbraw/zinc/13/45/59/556134559.db2.gz LBJYNFLCODBXOC-GOSISDBHSA-N 0 0 481.414 4.351 50 0 JIAARN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N(C)[C@H](C)c3cccs3)c2c1C ZINC000024528312 556134617 /nfs/dbraw/zinc/13/46/17/556134617.db2.gz PEFKVMXLMAASLH-OAHLLOKOSA-N 0 0 460.625 4.268 50 0 JIAARN C[C@H](c1nc2ccccc2s1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000024572746 556136166 /nfs/dbraw/zinc/13/61/66/556136166.db2.gz AQTSZWCQPLKERD-MRXNPFEDSA-N 0 0 451.983 4.379 50 0 JIAARN O=C(COC(=O)C1(c2cccc(Cl)c2)CCCCC1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000012918576 556137312 /nfs/dbraw/zinc/13/73/12/556137312.db2.gz CQJRQFBIPIBORZ-JOCHJYFZSA-N 0 0 490.021 4.305 50 0 JIAARN CC(C)NC(=O)CN1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000012918690 556137679 /nfs/dbraw/zinc/13/76/79/556137679.db2.gz NDVDRGLXZUDFRF-UHFFFAOYSA-N 0 0 464.997 4.228 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000024595357 556137697 /nfs/dbraw/zinc/13/76/97/556137697.db2.gz RQIXQLDQIAZKFX-QFIPXVFZSA-N 0 0 457.574 4.406 50 0 JIAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)c(C)c1 ZINC000012918971 556138281 /nfs/dbraw/zinc/13/82/81/556138281.db2.gz KPVUSUFEALCQQW-UHFFFAOYSA-N 0 0 486.494 4.196 50 0 JIAARN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024606498 556138869 /nfs/dbraw/zinc/13/88/69/556138869.db2.gz FUTXURKGNPYAKD-IBGZPJMESA-N 0 0 456.589 4.367 50 0 JIAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608770 556139851 /nfs/dbraw/zinc/13/98/51/556139851.db2.gz BANQINMBBYKYAS-QGZVFWFLSA-N 0 0 492.041 4.049 50 0 JIAARN O=C(NCCSC1CCCCC1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610519 556140678 /nfs/dbraw/zinc/14/06/78/556140678.db2.gz SZUYAANIOKCWMA-UHFFFAOYSA-N 0 0 459.077 4.064 50 0 JIAARN CC(C)c1noc2ncc(C(=O)N(Cc3ccccc3)Cc3nc4ccccc4c(=O)[nH]3)cc21 ZINC000012922122 556140776 /nfs/dbraw/zinc/14/07/76/556140776.db2.gz JIRLSHFREIJQSD-UHFFFAOYSA-N 0 0 453.502 4.425 50 0 JIAARN C[C@H](NC(=O)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)c1cccc(Cl)c1 ZINC000012925407 556143624 /nfs/dbraw/zinc/14/36/24/556143624.db2.gz LBTGAHRHEWWQIX-IBGZPJMESA-N 0 0 475.976 4.293 50 0 JIAARN CCc1ccc[n+](C2=C(c3c(C)[n-]n(-c4ccc(Cl)c(Cl)c4)c3=O)C(=O)N(C(C)C)C2=O)c1 ZINC000016571111 556143740 /nfs/dbraw/zinc/14/37/40/556143740.db2.gz GXSIPSAQJYZVFU-UHFFFAOYSA-O 0 0 486.379 4.189 50 0 JIAARN CCc1[n-]n(-c2ccccc2)c(=O)c1C1=C([n+]2cc(C)cc(C)c2)C(=O)N(C2CCCCC2)C1=O ZINC000016571170 556143976 /nfs/dbraw/zinc/14/39/76/556143976.db2.gz AAHWWAGVBJKTSF-UHFFFAOYSA-O 0 0 471.581 4.114 50 0 JIAARN COc1ccc(OC)c(CN2CCN(C(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)CC2)c1 ZINC000024664540 556144751 /nfs/dbraw/zinc/14/47/51/556144751.db2.gz RUABFYMFUCOKRT-UHFFFAOYSA-N 0 0 474.561 4.306 50 0 JIAARN O=C(NCCSc1ccc(Br)cc1)[C@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 ZINC000012926969 556145252 /nfs/dbraw/zinc/14/52/52/556145252.db2.gz WVQCDFFCPQNFJH-WIYYLYMNSA-N 0 0 477.449 4.248 50 0 JIAARN O=c1c2c(-c3ccc(F)cc3)csc2ncn1C[C@H](O)COc1ccc(Br)cc1 ZINC000012927175 556145598 /nfs/dbraw/zinc/14/55/98/556145598.db2.gz IBIFKSWVYFXZOF-INIZCTEOSA-N 0 0 475.339 4.467 50 0 JIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000012931009 556147874 /nfs/dbraw/zinc/14/78/74/556147874.db2.gz CNULZFCRPZUBGH-UHFFFAOYSA-N 0 0 480.417 4.419 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000012931172 556147875 /nfs/dbraw/zinc/14/78/75/556147875.db2.gz BMXBNMVNDAOLSB-CYBMUJFWSA-N 0 0 451.470 4.442 50 0 JIAARN C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012932963 556149040 /nfs/dbraw/zinc/14/90/40/556149040.db2.gz HQMYBIATWXMEMW-IBGZPJMESA-N 0 0 470.566 4.167 50 0 JIAARN O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000024751720 556149400 /nfs/dbraw/zinc/14/94/00/556149400.db2.gz WQJFTCNXNBMDIN-UHFFFAOYSA-N 0 0 495.548 4.062 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012936060 556150789 /nfs/dbraw/zinc/15/07/89/556150789.db2.gz TXPHPHRFTGPCKV-UHFFFAOYSA-N 0 0 471.321 4.322 50 0 JIAARN COc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1S(=O)(=O)NC1CC1 ZINC000012937011 556151906 /nfs/dbraw/zinc/15/19/06/556151906.db2.gz CILFFCPVNUCCQY-NRFANRHFSA-N 0 0 474.629 4.047 50 0 JIAARN CC(C)(C)c1ccccc1OCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000012941454 556154820 /nfs/dbraw/zinc/15/48/20/556154820.db2.gz BCXVCCLJMFLUDC-UHFFFAOYSA-N 0 0 456.608 4.414 50 0 JIAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCN(C(=O)c3ccc(C(C)C)cc3)CC1)C2=O ZINC000012943141 556155681 /nfs/dbraw/zinc/15/56/81/556155681.db2.gz NGHAOLKDKJFJJW-UHFFFAOYSA-N 0 0 482.669 4.442 50 0 JIAARN C[C@@H](Oc1ccccc1F)c1nnc(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)o1 ZINC000024787795 556155948 /nfs/dbraw/zinc/15/59/48/556155948.db2.gz FLBCHZTXXXXGLH-MRXNPFEDSA-N 0 0 484.553 4.318 50 0 JIAARN Cc1noc(-c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3OC(C)C)cc2)n1 ZINC000012946626 556158029 /nfs/dbraw/zinc/15/80/29/556158029.db2.gz ZBOMOSQOVKOOOQ-UHFFFAOYSA-N 0 0 484.578 4.259 50 0 JIAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000012948180 556158959 /nfs/dbraw/zinc/15/89/59/556158959.db2.gz PLTUUIJQOPWPIL-FTJBHMTQSA-N 0 0 496.563 4.264 50 0 JIAARN CN(Cc1ccc(Cl)s1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000012948746 556159235 /nfs/dbraw/zinc/15/92/35/556159235.db2.gz XCBHNDYNARUNJH-UHFFFAOYSA-N 0 0 452.960 4.395 50 0 JIAARN C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1)C(=O)c1ccc(F)c(F)c1 ZINC000012950685 556160165 /nfs/dbraw/zinc/16/01/65/556160165.db2.gz OWNNESSXCAEDIE-KBPBESRZSA-N 0 0 485.936 4.467 50 0 JIAARN CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000024895795 556162478 /nfs/dbraw/zinc/16/24/78/556162478.db2.gz UWSMXFOABBSFNH-UHFFFAOYSA-N 0 0 452.561 4.479 50 0 JIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000012971341 556163102 /nfs/dbraw/zinc/16/31/02/556163102.db2.gz FUHRMWVDZFBOQG-XMMPIXPASA-N 0 0 481.618 4.462 50 0 JIAARN O=C(Nc1cccc(I)c1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012972432 556164111 /nfs/dbraw/zinc/16/41/11/556164111.db2.gz QFKOXHLOOUWWKJ-FRXJQHJJSA-N 0 0 478.374 4.437 50 0 JIAARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000024945995 556164694 /nfs/dbraw/zinc/16/46/94/556164694.db2.gz DWNXXHOWQRGKAN-NRFANRHFSA-N 0 0 462.543 4.331 50 0 JIAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccccc1I ZINC000012973202 556164937 /nfs/dbraw/zinc/16/49/37/556164937.db2.gz YSKIOBXRJCOIPP-GOSISDBHSA-N 0 0 478.330 4.228 50 0 JIAARN O=C(NC1CCCCCCC1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000016844222 556165964 /nfs/dbraw/zinc/16/59/64/556165964.db2.gz NDRGGYILLVOETJ-UHFFFAOYSA-N 0 0 479.643 4.241 50 0 JIAARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1S(=O)(=O)NCc1ccccc1 ZINC000024978019 556167071 /nfs/dbraw/zinc/16/70/71/556167071.db2.gz CBBLQLGOEHKBJX-UHFFFAOYSA-N 0 0 477.586 4.161 50 0 JIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)s1 ZINC000012975735 556168168 /nfs/dbraw/zinc/16/81/68/556168168.db2.gz QVCUTYRKRHJUIX-UHFFFAOYSA-N 0 0 453.608 4.129 50 0 JIAARN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N[C@]3(C)CCS(=O)(=O)C3)c2c1C ZINC000024984135 556168913 /nfs/dbraw/zinc/16/89/13/556168913.db2.gz PMMZJEULNQPXJA-JOCHJYFZSA-N 0 0 491.660 4.458 50 0 JIAARN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCc3cc(=O)n4ccsc4n3)cc12 ZINC000012978714 556171472 /nfs/dbraw/zinc/17/14/72/556171472.db2.gz RZNTTWLHXWERFN-UHFFFAOYSA-N 0 0 456.936 4.475 50 0 JIAARN C[C@@H](NC(=O)c1ccc2c(c1)OCO2)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891087 556172032 /nfs/dbraw/zinc/17/20/32/556172032.db2.gz DAKZOQRZAHWKLX-OSPHWJPCSA-N 0 0 467.566 4.298 50 0 JIAARN C[C@@H](NC(=O)c1ccc2c(c1)OCO2)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000016891317 556172889 /nfs/dbraw/zinc/17/28/89/556172889.db2.gz DJNMTXJJDLLVJN-OSPHWJPCSA-N 0 0 467.566 4.298 50 0 JIAARN C[C@H](NC(=O)c1ccc2c(c1)OCO2)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000016891314 556172909 /nfs/dbraw/zinc/17/29/09/556172909.db2.gz DJNMTXJJDLLVJN-BXKMTCNYSA-N 0 0 467.566 4.298 50 0 JIAARN C[C@@H](NC(=O)c1ccc2c(c1)OCO2)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000016891311 556172960 /nfs/dbraw/zinc/17/29/60/556172960.db2.gz DJNMTXJJDLLVJN-MZNJEOGPSA-N 0 0 467.566 4.298 50 0 JIAARN COCCCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)cc2C1=O ZINC000012980841 556173912 /nfs/dbraw/zinc/17/39/12/556173912.db2.gz AHWNJNGCGUUILH-UHFFFAOYSA-N 0 0 455.923 4.348 50 0 JIAARN Cc1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000016902771 556174135 /nfs/dbraw/zinc/17/41/35/556174135.db2.gz SUEYAGGRXJJJGN-WOJBJXKFSA-N 0 0 459.521 4.444 50 0 JIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000012981238 556174579 /nfs/dbraw/zinc/17/45/79/556174579.db2.gz WYGGPHPRAPUCIZ-JOCHJYFZSA-N 0 0 493.025 4.122 50 0 JIAARN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000012981973 556175150 /nfs/dbraw/zinc/17/51/50/556175150.db2.gz IYZSYAWBKMNATM-KUHUBIRLSA-N 0 0 450.352 4.434 50 0 JIAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000012981833 556175237 /nfs/dbraw/zinc/17/52/37/556175237.db2.gz MUTKZXINOJMIGQ-HNNXBMFYSA-N 0 0 498.432 4.267 50 0 JIAARN Cc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000016903283 556176032 /nfs/dbraw/zinc/17/60/32/556176032.db2.gz XFHTYXSALUDUQF-KNQAVFIVSA-N 0 0 459.521 4.444 50 0 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569701170 /nfs/dbraw/zinc/70/11/70/569701170.db2.gz OPBYTJFGRWLOOM-UHFFFAOYSA-N 0 0 465.927 4.147 50 0 JIAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000072280739 569701739 /nfs/dbraw/zinc/70/17/39/569701739.db2.gz HTCKRNNKXHSQIM-UHFFFAOYSA-N 0 0 496.608 4.113 50 0 JIAARN O=C(c1ccc(Br)cc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000035552966 569702390 /nfs/dbraw/zinc/70/23/90/569702390.db2.gz CFAPAXYOAXECDR-UHFFFAOYSA-N 0 0 453.340 4.339 50 0 JIAARN COc1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NCc2ccccc2)c(OC)c1 ZINC000035553495 569702479 /nfs/dbraw/zinc/70/24/79/569702479.db2.gz CIFHLEBENHASAF-AREMUKBSSA-N 0 0 475.570 4.456 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C)cc4C)CC3)c(C)s2)no1 ZINC000035553685 569702524 /nfs/dbraw/zinc/70/25/24/569702524.db2.gz QJBCFABUTIBEBR-UHFFFAOYSA-N 0 0 474.608 4.071 50 0 JIAARN CCCCc1ccc(NC(=O)COC(=O)COc2ccc(I)cc2)cc1 ZINC000072331032 569702690 /nfs/dbraw/zinc/70/26/90/569702690.db2.gz WKVMRBCMMNZTKG-UHFFFAOYSA-N 0 0 467.303 4.195 50 0 JIAARN Cc1ccc(CNC(=O)Cn2nc3c(Oc4cccc(C)c4C)nc4ccccc4n3c2=O)cc1 ZINC000072333356 569703205 /nfs/dbraw/zinc/70/32/05/569703205.db2.gz ATRMYYQPJQCLOZ-UHFFFAOYSA-N 0 0 467.529 4.078 50 0 JIAARN CCOc1ccc(CNC(=O)C[C@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000035559357 569703691 /nfs/dbraw/zinc/70/36/91/569703691.db2.gz VRZBPHYVNQTGJY-SANMLTNESA-N 0 0 478.614 4.388 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCc2cccc(F)c2)cc1 ZINC000035559384 569703692 /nfs/dbraw/zinc/70/36/92/569703692.db2.gz HZDCATASMKWSMK-XMMPIXPASA-N 0 0 452.551 4.129 50 0 JIAARN CCc1ccc(CNC(=O)C[C@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000035559270 569703707 /nfs/dbraw/zinc/70/37/07/569703707.db2.gz GSRIRUAYHFLMHD-VWLOTQADSA-N 0 0 466.578 4.383 50 0 JIAARN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@H](c1ccc(NC(=O)c3ccccc3)cc1)CC(=O)N2 ZINC000072403229 569703782 /nfs/dbraw/zinc/70/37/82/569703782.db2.gz XVWIDHGJTVWTOU-GOSISDBHSA-N 0 0 464.489 4.223 50 0 JIAARN O=C(CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)NCc1ccc2c(c1)OCO2 ZINC000035562013 569704484 /nfs/dbraw/zinc/70/44/84/569704484.db2.gz CCZDUWWGYLLYCX-UHFFFAOYSA-N 0 0 453.926 4.109 50 0 JIAARN O=C(Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000035562450 569704748 /nfs/dbraw/zinc/70/47/48/569704748.db2.gz RLWQUJWZOWYKDN-UHFFFAOYSA-N 0 0 462.937 4.186 50 0 JIAARN COc1cccc2cc(C(=O)N3CCC[C@H](c4nnc(-c5ccccc5F)s4)C3)c(=O)oc21 ZINC000077177500 569704966 /nfs/dbraw/zinc/70/49/66/569704966.db2.gz QNGPEXZLVCBDKQ-HNNXBMFYSA-N 0 0 465.506 4.479 50 0 JIAARN Cc1cc(C)nc(SCc2c(C(=O)N3CCc4ccccc4C3)nnn2-c2ccccc2)n1 ZINC000035590696 569705209 /nfs/dbraw/zinc/70/52/09/569705209.db2.gz DJAKNQDRRFQGTE-UHFFFAOYSA-N 0 0 456.575 4.165 50 0 JIAARN Cc1cc(C)n(CCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3s2)n1 ZINC000035597610 569705457 /nfs/dbraw/zinc/70/54/57/569705457.db2.gz CAXQMNMHNPETDR-UHFFFAOYSA-N 0 0 486.594 4.146 50 0 JIAARN CCOC(=O)c1c(C)n(CC)c(C)c1/C=C/C(=O)N(Cc1ccccc1OCC)C[C@H](C)O 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/nfs/dbraw/zinc/70/88/22/569708822.db2.gz QQPVYZYNXSCNJR-UHFFFAOYSA-N 0 0 450.539 4.301 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)Nc1ccc(F)cc1F)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000035729436 569709064 /nfs/dbraw/zinc/70/90/64/569709064.db2.gz UKUYJROWNAZCHJ-ZMZPIMSZSA-N 0 0 489.504 4.387 50 0 JIAARN O=C(Nc1ccccc1Cn1cncn1)C(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC000084528530 569709345 /nfs/dbraw/zinc/70/93/45/569709345.db2.gz JNZNHMXNPRHLMN-XMMPIXPASA-N 0 0 453.546 4.145 50 0 JIAARN COc1ccc(CC(=O)N(CC(=O)N(Cc2ccco2)Cc2ccc(F)cc2)C(C)C)cc1 ZINC000035767695 569710067 /nfs/dbraw/zinc/71/00/67/569710067.db2.gz YKEHWHCAJOCNFQ-UHFFFAOYSA-N 0 0 452.526 4.436 50 0 JIAARN CC[C@@H](C(=O)NCCN1CCOCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000085406667 569710266 /nfs/dbraw/zinc/71/02/66/569710266.db2.gz BUOQSXAIPVWUHV-NRFANRHFSA-N 0 0 493.410 4.473 50 0 JIAARN CCc1nc(C)nc(N2CCN(C(=O)COCc3ccccc3)CC2)c1Cc1ccc(Cl)cc1 ZINC000035769173 569710294 /nfs/dbraw/zinc/71/02/94/569710294.db2.gz HOMAJGVAUJZIQC-UHFFFAOYSA-N 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Cc1cccc(Cn2c(C(=O)N3CCN(C(=O)COCc4ccccc4)[C@H](C)C3)cc3ccoc32)c1 ZINC000035843998 569714770 /nfs/dbraw/zinc/71/47/70/569714770.db2.gz WAJLIFVISPWYSN-JOCHJYFZSA-N 0 0 485.584 4.481 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)c1ccc(OC)cc1)c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000035845292 569715821 /nfs/dbraw/zinc/71/58/21/569715821.db2.gz IZHSFHNGWXILIH-VLIAUNLRSA-N 0 0 455.511 4.288 50 0 JIAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OC)c(O)c2)cc1 ZINC000085877389 569716029 /nfs/dbraw/zinc/71/60/29/569716029.db2.gz GDSMBUXQZXCNTB-MRXNPFEDSA-N 0 0 460.438 4.329 50 0 biogenic JIAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cc3ccccc3n(C)c2=O)cc1 ZINC000085878864 569716180 /nfs/dbraw/zinc/71/61/80/569716180.db2.gz KGTQUFCMPWBPPQ-GOSISDBHSA-N 0 0 495.487 4.467 50 0 biogenic JIAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4C)CC2)n1)CCN(CC)C3 ZINC000035868014 569718015 /nfs/dbraw/zinc/71/80/15/569718015.db2.gz DTNBQBANHGIPFZ-UHFFFAOYSA-N 0 0 463.651 4.293 50 0 JIAARN COc1cc(C(=O)OCC(=O)c2cccc(Cl)c2)cc(CN2C(=O)c3ccccc3C2=O)c1OC ZINC000089424185 569718390 /nfs/dbraw/zinc/71/83/90/569718390.db2.gz LODWJESSPCFZFF-UHFFFAOYSA-N 0 0 493.899 4.193 50 0 JIAARN O=C(NCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000035871356 569718631 /nfs/dbraw/zinc/71/86/31/569718631.db2.gz VQLYYTNPZKXHSG-UPVQGACJSA-N 0 0 466.507 4.284 50 0 JIAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)c1ccc2c(c1)CCC2 ZINC000089598296 569718929 /nfs/dbraw/zinc/71/89/29/569718929.db2.gz RCPAMDLCUICCAW-LJQANCHMSA-N 0 0 489.593 4.351 50 0 JIAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000089574045 569719020 /nfs/dbraw/zinc/71/90/20/569719020.db2.gz FKNRTMOQBCALKS-LJQANCHMSA-N 0 0 484.021 4.341 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(Cn3c4ccccc4nc3SC(C)C)CC2)cc1C ZINC000089643276 569719425 /nfs/dbraw/zinc/71/94/25/569719425.db2.gz LGIGDEUMXSZETQ-UHFFFAOYSA-N 0 0 458.653 4.118 50 0 JIAARN CC[C@H]1Oc2ccc(NC(=O)c3cccnc3Cl)cc2CN(Cc2ccc3c(c2)OCO3)C1=O ZINC000035883436 569720068 /nfs/dbraw/zinc/72/00/68/569720068.db2.gz IGKANLZUKOOURK-LJQANCHMSA-N 0 0 479.920 4.416 50 0 JIAARN COc1ccc(CCN2Cc3cc(NC(=O)c4ccc(OC)cc4)ccc3O[C@H](C)C2=O)cc1 ZINC000035884644 569720145 /nfs/dbraw/zinc/72/01/45/569720145.db2.gz ZKTXWPYEKMMBLB-GOSISDBHSA-N 0 0 460.530 4.308 50 0 JIAARN C[C@@H]1CSC(N(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)=N1 ZINC000089941383 569720456 /nfs/dbraw/zinc/72/04/56/569720456.db2.gz MVQJABNWLDJLJC-UZLBHIALSA-N 0 0 478.039 4.408 50 0 JIAARN CCOC(=O)N1CCN(C(=O)C[C@H](c2c[nH]c3c2cccc3CC)c2ccc3c(c2)OCO3)CC1 ZINC000035888954 569721395 /nfs/dbraw/zinc/72/13/95/569721395.db2.gz BXBMAJZQDRXWQU-NRFANRHFSA-N 0 0 477.561 4.282 50 0 JIAARN Cc1cc(C)cc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5CC[C@H](C)C[C@@H]5C4=O)c3)CC2=O)c1 ZINC000035900420 569723373 /nfs/dbraw/zinc/72/33/73/569723373.db2.gz DBHKTQLGYSTHKU-FQWSXGTCSA-N 0 0 474.557 4.188 50 0 JIAARN COCCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(Cl)c3)C[C@H]12 ZINC000035907917 569723645 /nfs/dbraw/zinc/72/36/45/569723645.db2.gz LTTVTOUNACDAPG-IFMALSPDSA-N 0 0 481.946 4.379 50 0 JIAARN CN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000095474076 569724064 /nfs/dbraw/zinc/72/40/64/569724064.db2.gz RQBJLHJFLJLWAV-HCYMMPSNSA-N 0 0 465.597 4.455 50 0 JIAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000095476565 569724399 /nfs/dbraw/zinc/72/43/99/569724399.db2.gz YJJCTHQJBZNSJN-UHFFFAOYSA-N 0 0 480.524 4.288 50 0 biogenic JIAARN O=C(CCn1ccc2ccc(Br)cc21)N1CCC(c2nnc3ccccn32)CC1 ZINC000095478793 569724442 /nfs/dbraw/zinc/72/44/42/569724442.db2.gz LEXNRZFVAUISSY-UHFFFAOYSA-N 0 0 452.356 4.243 50 0 JIAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc3[nH]c(CCc4ccccc4)nc3c1)C=C2 ZINC000095478542 569724504 /nfs/dbraw/zinc/72/45/04/569724504.db2.gz CFWGDMRTWQTJTH-UHFFFAOYSA-N 0 0 496.567 4.359 50 0 JIAARN COc1cccc(CN2Cc3cc(NC(=O)OCc4ccccc4)ccc3OCC2=O)c1OC ZINC000035909790 569724937 /nfs/dbraw/zinc/72/49/37/569724937.db2.gz LYTGXQDTGFDSHC-UHFFFAOYSA-N 0 0 462.502 4.374 50 0 JIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(Cc2ccc(OC)cc2OC)C(=O)[C@H](C)O3)cc1 ZINC000035909806 569724996 /nfs/dbraw/zinc/72/49/96/569724996.db2.gz RAPJMMFAIOUORU-KRWDZBQOSA-N 0 0 476.529 4.274 50 0 JIAARN CCCn1c(C(=O)NCCN2CCOCC2)cc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000095536213 569725666 /nfs/dbraw/zinc/72/56/66/569725666.db2.gz ZEWGQZLMNJFMSQ-UHFFFAOYSA-N 0 0 468.985 4.019 50 0 JIAARN COCc1nc(C(C)C)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1cccc(Cl)c1 ZINC000095536448 569725751 /nfs/dbraw/zinc/72/57/51/569725751.db2.gz KBBFILPBAGBJAA-UHFFFAOYSA-N 0 0 460.022 4.231 50 0 JIAARN CCOC(=O)N1CCN(C(=O)C[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2OC)CC1 ZINC000035910764 569725961 /nfs/dbraw/zinc/72/59/61/569725961.db2.gz JXPWJWINIFZHHG-OAQYLSRUSA-N 0 0 465.550 4.008 50 0 JIAARN CCc1nc2c(Cl)cc(Cl)cc2c(N2CCN(C(=O)COCc3ccccc3)CC2)n1 ZINC000095537719 569726066 /nfs/dbraw/zinc/72/60/66/569726066.db2.gz ZOSCQDYBBGVREG-UHFFFAOYSA-N 0 0 459.377 4.364 50 0 JIAARN Cc1ccc(-c2cc3c4nn(CC(=O)Nc5cccc(C(F)(F)F)c5)c(=O)n4ccn3n2)cc1C ZINC000095538600 569726172 /nfs/dbraw/zinc/72/61/72/569726172.db2.gz FFSXZSKJBMDOJV-UHFFFAOYSA-N 0 0 480.450 4.085 50 0 JIAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCCc1cccs1)C2 ZINC000035911109 569726368 /nfs/dbraw/zinc/72/63/68/569726368.db2.gz HDLXJXMXOMTMQA-ILBGXUMGSA-N 0 0 465.594 4.122 50 0 JIAARN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)N3CCN(C)CC3)Cc3ccccc3)no2)c(C)c1 ZINC000095549661 569727411 /nfs/dbraw/zinc/72/74/11/569727411.db2.gz UKZRBOLJYYBULP-UHFFFAOYSA-N 0 0 474.605 4.073 50 0 JIAARN CCc1nc(-c2ccccc2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1cccc(OC)c1 ZINC000095550763 569727538 /nfs/dbraw/zinc/72/75/38/569727538.db2.gz BEULSIDDYBETID-UHFFFAOYSA-N 0 0 456.590 4.364 50 0 JIAARN COCc1nc(CC(C)C)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1cc(C)ccc1C ZINC000095550762 569727608 /nfs/dbraw/zinc/72/76/08/569727608.db2.gz KUDBPAZHLOOUPR-UHFFFAOYSA-N 0 0 450.627 4.088 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(C3CCOCC3)nc(N3CCN(C(=O)c4cccs4)CC3)c12 ZINC000035912606 569727646 /nfs/dbraw/zinc/72/76/46/569727646.db2.gz XBWKSKVVHYCSAU-UHFFFAOYSA-N 0 0 488.617 4.042 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCCN(C(=O)COc4ccccc4)CC3)c12 ZINC000035912700 569727787 /nfs/dbraw/zinc/72/77/87/569727787.db2.gz ZXSXWDQOMIDGBX-UHFFFAOYSA-N 0 0 498.631 4.440 50 0 JIAARN CCOc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(CCCc3ccccc3)c4=O)n2)cc1 ZINC000095613893 569728225 /nfs/dbraw/zinc/72/82/25/569728225.db2.gz VRWQUKUZVXWVBF-UHFFFAOYSA-N 0 0 468.513 4.438 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N[C@@H](C)C(C)C)n3c2=O)nn1-c1ccccc1F ZINC000035925779 569729063 /nfs/dbraw/zinc/72/90/63/569729063.db2.gz ZCLCQPCXINNDJA-HNNXBMFYSA-N 0 0 467.570 4.068 50 0 JIAARN CCCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccccc4F)n3)c(=O)n12 ZINC000035925782 569729142 /nfs/dbraw/zinc/72/91/42/569729142.db2.gz MUUSLOHXSORZGO-UHFFFAOYSA-N 0 0 467.570 4.214 50 0 JIAARN CCCC(=O)N1CCN(c2nc(Cc3ccc(C)cc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035926049 569729391 /nfs/dbraw/zinc/72/93/91/569729391.db2.gz OJJWXNGZRWTISU-UHFFFAOYSA-N 0 0 454.578 4.163 50 0 JIAARN CC(C)CCn1c(SCc2cc(=O)n3ccccc3n2)nc2c3cccnc3sc2c1=O ZINC000095926891 569730318 /nfs/dbraw/zinc/73/03/18/569730318.db2.gz JDGLRVGBMVIMPB-UHFFFAOYSA-N 0 0 463.588 4.353 50 0 JIAARN COCc1nc(C2CC2)nc(N2CCN(C(=O)c3cccs3)CC2)c1Cc1cccc(C)c1 ZINC000095926125 569730399 /nfs/dbraw/zinc/73/03/99/569730399.db2.gz GIGAMOQPULMYSP-UHFFFAOYSA-N 0 0 462.619 4.424 50 0 JIAARN CCOC(=O)[C@H]1CCCN(c2nc3nn(Cc4ccccc4)c(N)c3c(-c3ccc(F)cc3)n2)C1 ZINC000035929890 569731434 /nfs/dbraw/zinc/73/14/34/569731434.db2.gz ZJOAYUAADHWOBH-IBGZPJMESA-N 0 0 474.540 4.042 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(C)cc1)C(=O)NC(C)C ZINC000035945945 569733057 /nfs/dbraw/zinc/73/30/57/569733057.db2.gz FKAGUEOIFPHEHQ-QHCPKHFHSA-N 0 0 471.001 4.393 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000096113963 569733143 /nfs/dbraw/zinc/73/31/43/569733143.db2.gz YNRRJRCQRJXROH-ZJSXRUAMSA-N 0 0 457.438 4.062 50 0 biogenic JIAARN COc1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cc2c1OCCO2 ZINC000096114304 569733439 /nfs/dbraw/zinc/73/34/39/569733439.db2.gz ZSZMOKPCYVEPRN-OFVILXPXSA-N 0 0 471.465 4.104 50 0 biogenic JIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1 ZINC000096114758 569733891 /nfs/dbraw/zinc/73/38/91/569733891.db2.gz JUSUUMVQUZUTFY-BWKNWUBXSA-N 0 0 489.480 4.056 50 0 biogenic JIAARN CN(C)c1ccc(NC(=O)c2cccc(F)c2)cc1CN(Cc1ccc(F)cc1)S(C)(=O)=O ZINC000035947468 569734570 /nfs/dbraw/zinc/73/45/70/569734570.db2.gz LKUIMSUYYHKPHC-UHFFFAOYSA-N 0 0 473.545 4.245 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000035947841 569734974 /nfs/dbraw/zinc/73/49/74/569734974.db2.gz JQSBDHVSAJEMBX-QHCPKHFHSA-N 0 0 489.503 4.013 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1)C(=O)CC(C)(C)C ZINC000035948354 569735261 /nfs/dbraw/zinc/73/52/61/569735261.db2.gz DHDMFLPNQDANHG-HXUWFJFHSA-N 0 0 459.587 4.476 50 0 JIAARN COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc(OC)c1O ZINC000096116298 569735347 /nfs/dbraw/zinc/73/53/47/569735347.db2.gz GOXMGLBPVCMPPD-HYBUGGRVSA-N 0 0 459.454 4.047 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)C1CCCC1 ZINC000035948388 569735397 /nfs/dbraw/zinc/73/53/97/569735397.db2.gz MNWNUJNPOYWCEL-OAQYLSRUSA-N 0 0 499.633 4.108 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000035960433 569736376 /nfs/dbraw/zinc/73/63/76/569736376.db2.gz ZQRZDKJZIMDLKH-VWLOTQADSA-N 0 0 475.520 4.293 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@@H](c3ccccc3F)C2)c(OC)c1 ZINC000035961017 569736803 /nfs/dbraw/zinc/73/68/03/569736803.db2.gz WDJYOHIQRQBOQT-HSZRJFAPSA-N 0 0 467.541 4.169 50 0 JIAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)c1 ZINC000035962741 569737738 /nfs/dbraw/zinc/73/77/38/569737738.db2.gz YRYJAZFIJDLOEW-JOCHJYFZSA-N 0 0 469.557 4.415 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000035962594 569737762 /nfs/dbraw/zinc/73/77/62/569737762.db2.gz NQQKXPOPWHXQET-SANMLTNESA-N 0 0 489.547 4.301 50 0 JIAARN CC(C)(C)CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1 ZINC000096204626 569737882 /nfs/dbraw/zinc/73/78/82/569737882.db2.gz NCLWBAXILNLFPD-QHCPKHFHSA-N 0 0 496.677 4.023 50 0 JIAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)C4CCC4)C(C)C)cc3)CC2)c1 ZINC000096210745 569738058 /nfs/dbraw/zinc/73/80/58/569738058.db2.gz PPGLMXXATPHXHT-UHFFFAOYSA-N 0 0 491.636 4.325 50 0 JIAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CN(C(=O)C2CCCC2)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000096211282 569738202 /nfs/dbraw/zinc/73/82/02/569738202.db2.gz BGYNBLHFMMVTHM-RTWAWAEBSA-N 0 0 488.506 4.483 50 0 JIAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000096211283 569738252 /nfs/dbraw/zinc/73/82/52/569738252.db2.gz BGYNBLHFMMVTHM-LEWJYISDSA-N 0 0 488.506 4.483 50 0 JIAARN CCN1C2=C(C(=O)N([C@H](C(=O)NCC(C)C)c3ccccc3)C2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000035964885 569738309 /nfs/dbraw/zinc/73/83/09/569738309.db2.gz XOWXIXHHODDMDR-PKTZIBPZSA-N 0 0 480.996 4.036 50 0 JIAARN O=C1C[C@@H](c2cc3ccccc3[nH]c2=O)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096221503 569739035 /nfs/dbraw/zinc/73/90/35/569739035.db2.gz BLAONBDQHCWGCB-SFHVURJKSA-N 0 0 451.434 4.448 50 0 biogenic JIAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1nc(-c3c[nH]c4ccccc43)cs1)C=C2 ZINC000096223585 569739802 /nfs/dbraw/zinc/73/98/02/569739802.db2.gz BZMAXFNTFHPQIE-UHFFFAOYSA-N 0 0 474.542 4.303 50 0 JIAARN CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccccc1C ZINC000035987585 569743483 /nfs/dbraw/zinc/74/34/83/569743483.db2.gz FZGYGYVGVPFNDV-WMZHIEFXSA-N 0 0 498.023 4.037 50 0 JIAARN CCc1nc2c(c(C)nn2-c2ccc(OC)cc2)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000035990283 569744082 /nfs/dbraw/zinc/74/40/82/569744082.db2.gz WGBMBGGOMPKMQT-UHFFFAOYSA-N 0 0 490.995 4.311 50 0 JIAARN CCc1nc2c(cnn2-c2ccccc2Cl)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000035990656 569744185 /nfs/dbraw/zinc/74/41/85/569744185.db2.gz DGHDGVGADMWYFU-UHFFFAOYSA-N 0 0 464.932 4.133 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)CN(Cc2ccc(F)cc2)C(=O)c2ccccc2)c(C)n1C ZINC000035992610 569745100 /nfs/dbraw/zinc/74/51/00/569745100.db2.gz ZGTIYVHXGOBNAI-UHFFFAOYSA-N 0 0 450.510 4.483 50 0 JIAARN CC(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C(=O)N2CCCC2)c1 ZINC000035993097 569745337 /nfs/dbraw/zinc/74/53/37/569745337.db2.gz NWKGGHJUTUAGAQ-UHFFFAOYSA-N 0 0 483.012 4.133 50 0 JIAARN COC(=O)c1[nH]c(C)c(C(=O)CN(CCc2ccccn2)C(=O)c2ccc(Cl)cc2)c1C ZINC000036000782 569745754 /nfs/dbraw/zinc/74/57/54/569745754.db2.gz MRRTXLVPPNQTLU-UHFFFAOYSA-N 0 0 453.926 4.034 50 0 JIAARN COc1ccc(-c2cc(C(=O)N(CCC(=O)N3CCC(C)CC3)Cc3ccco3)no2)cc1 ZINC000036001360 569745908 /nfs/dbraw/zinc/74/59/08/569745908.db2.gz XTQAHVZSIDSBIO-UHFFFAOYSA-N 0 0 451.523 4.234 50 0 JIAARN CC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000036002914 569746356 /nfs/dbraw/zinc/74/63/56/569746356.db2.gz OVEKOJCWWFUMKQ-GOSISDBHSA-N 0 0 458.541 4.431 50 0 JIAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)Nc5cccc(Cl)c5)CC4)c3CO2)cc1 ZINC000097943809 569746673 /nfs/dbraw/zinc/74/66/73/569746673.db2.gz ZIVUVSBNOLDXCW-QFIPXVFZSA-N 0 0 479.968 4.002 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(Cc2ccco2)C(=O)c2cccc(OC)c2)c1C ZINC000036004343 569746833 /nfs/dbraw/zinc/74/68/33/569746833.db2.gz UYSYMKIFXUOVMS-KRWDZBQOSA-N 0 0 452.507 4.324 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CCc2ccccn2)C(=O)c2cccs2)c1C ZINC000036004287 569746844 /nfs/dbraw/zinc/74/68/44/569746844.db2.gz XBOFGIGZCWXXCI-KRWDZBQOSA-N 0 0 453.564 4.221 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCCN(C(=O)C2CCCC2)CC1 ZINC000036005856 569747325 /nfs/dbraw/zinc/74/73/25/569747325.db2.gz CRFBEEARAPGYGU-UHFFFAOYSA-N 0 0 468.642 4.136 50 0 JIAARN COc1ccc(OC)c(-c2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(Cl)cc3)no2)c1 ZINC000036012973 569748398 /nfs/dbraw/zinc/74/83/98/569748398.db2.gz ZOZLINWQKRUDSO-LJQANCHMSA-N 0 0 492.981 4.382 50 0 JIAARN COc1cc(/C=C2/N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc(Cl)c1OC(F)F ZINC000097998227 569749109 /nfs/dbraw/zinc/74/91/09/569749109.db2.gz HBYXQOYXYMYAEV-MHWRWJLKSA-N 0 0 462.836 4.421 50 0 JIAARN Cc1ccc(C)c(-c2cc(C(=O)N(CCC(=O)NCc3ccc(F)cc3)C[C@H]3CCCO3)no2)c1 ZINC000036015518 569749140 /nfs/dbraw/zinc/74/91/40/569749140.db2.gz GYNBQYZJGXDXSG-JOCHJYFZSA-N 0 0 479.552 4.425 50 0 JIAARN CC(C)c1nc2c(cnn2-c2ccccc2Cl)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000036016694 569749301 /nfs/dbraw/zinc/74/93/01/569749301.db2.gz FGAJZCQHQUZGSA-UHFFFAOYSA-N 0 0 497.024 4.103 50 0 JIAARN O=C(Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(C(=O)N2CCCCC2)c1)C1CCCC1 ZINC000036019405 569749849 /nfs/dbraw/zinc/74/98/49/569749849.db2.gz DWAPGOLNQCKFPL-UHFFFAOYSA-N 0 0 480.653 4.280 50 0 JIAARN CCC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(C(=O)N2CCCCC2)c1 ZINC000036019588 569749939 /nfs/dbraw/zinc/74/99/39/569749939.db2.gz GASRKQVXZDVNIS-UHFFFAOYSA-N 0 0 477.609 4.324 50 0 JIAARN Cc1nn(-c2ccccc2C)c2nc(C)nc(N3CCN(C(=O)c4ccccc4Cl)CC3)c12 ZINC000036019679 569750102 /nfs/dbraw/zinc/75/01/02/569750102.db2.gz ATTAJWYUXPVIOO-UHFFFAOYSA-N 0 0 460.969 4.357 50 0 JIAARN CO[C@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000098050700 569750124 /nfs/dbraw/zinc/75/01/24/569750124.db2.gz ZNKMCQRFDSVZAX-DFLSAPQXSA-N 0 0 464.558 4.106 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(Cl)cc2)c(C)n1CC ZINC000036021082 569750232 /nfs/dbraw/zinc/75/02/32/569750232.db2.gz ARDCVNRXUYWMRY-HXUWFJFHSA-N 0 0 474.985 4.459 50 0 JIAARN COc1cccc(C(=O)N2CCCN(c3nc(C)nc4c3c(C)nn4-c3ccc(C)cc3)CC2)c1 ZINC000036024885 569750481 /nfs/dbraw/zinc/75/04/81/569750481.db2.gz FPYZTDCXENVNRU-UHFFFAOYSA-N 0 0 470.577 4.102 50 0 JIAARN 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4.181 50 0 JIAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)NCc1ccc2c(c1)OCO2 ZINC000001096610 194023356 /nfs/dbraw/zinc/02/33/56/194023356.db2.gz JUMKLRLOZODQPK-UHFFFAOYSA-N 0 0 491.594 4.073 50 0 JIAARN Cc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000001097187 194023358 /nfs/dbraw/zinc/02/33/58/194023358.db2.gz NPTAISYZBYZIHL-UHFFFAOYSA-N 0 0 451.386 4.105 50 0 JIAARN Cc1nc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(OCC(N)=O)cc2)sc1C ZINC000001105816 194025577 /nfs/dbraw/zinc/02/55/77/194025577.db2.gz LKTZKFWFQRNIOR-JOCHJYFZSA-N 0 0 489.553 4.097 50 0 JIAARN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)c(Cl)c1)c1ccccc1 ZINC000001077519 194018741 /nfs/dbraw/zinc/01/87/41/194018741.db2.gz JVFXPFRAGGOPRQ-INIZCTEOSA-N 0 0 450.988 4.207 50 0 JIAARN COc1ccc(C(=O)Nc2ccccc2COC(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000001077657 194018935 /nfs/dbraw/zinc/01/89/35/194018935.db2.gz CFZVNMQMBKZZLO-UHFFFAOYSA-N 0 0 451.475 4.330 50 0 biogenic JIAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2cccs2)cc1 ZINC000001077756 194019021 /nfs/dbraw/zinc/01/90/21/194019021.db2.gz YVJXUUXSIJRLJH-HXUWFJFHSA-N 0 0 451.573 4.288 50 0 JIAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000001115607 194029562 /nfs/dbraw/zinc/02/95/62/194029562.db2.gz LTHKNYCNBSSMFJ-UHFFFAOYSA-N 0 0 499.592 4.451 50 0 JIAARN O=C(COc1ccc(I)cc1)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000001120478 194033649 /nfs/dbraw/zinc/03/36/49/194033649.db2.gz GNOORBKSFYXYKQ-UHFFFAOYSA-N 0 0 498.276 4.109 50 0 JIAARN COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(F)cc2)nc1C ZINC000001129392 194038326 /nfs/dbraw/zinc/03/83/26/194038326.db2.gz XANCRSSGSPHSQC-KRWDZBQOSA-N 0 0 450.447 4.233 50 0 JIAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(NC(=O)c4ccccc4)c3)sc2c1 ZINC000001130092 194038462 /nfs/dbraw/zinc/03/84/62/194038462.db2.gz SCLNKGNGSXEXAA-UHFFFAOYSA-N 0 0 451.529 4.204 50 0 JIAARN COC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000001128073 194037574 /nfs/dbraw/zinc/03/75/74/194037574.db2.gz WNBNYXMYXRQBRN-UHFFFAOYSA-N 0 0 452.532 4.452 50 0 JIAARN CCc1ccc(S(=O)(=O)N(C(=O)c2ccncc2)c2ccc(OC(=O)c3ccncc3)cc2)cc1 ZINC000001129057 194037934 /nfs/dbraw/zinc/03/79/34/194037934.db2.gz GSNNWCVFRNINCY-UHFFFAOYSA-N 0 0 487.537 4.294 50 0 JIAARN CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)cc1 ZINC000001115071 194029293 /nfs/dbraw/zinc/02/92/93/194029293.db2.gz WEIBLBQJSJLJCK-UHFFFAOYSA-N 0 0 485.631 4.381 50 0 JIAARN O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)Oc1ccc(Br)cc1 ZINC000001144586 194046698 /nfs/dbraw/zinc/04/66/98/194046698.db2.gz SJCYLWXKDQKPFT-MXXWWZHRSA-N 0 0 488.337 4.247 50 0 JIAARN COc1cccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000001145554 194047231 /nfs/dbraw/zinc/04/72/31/194047231.db2.gz XKPMQUVERWABNL-UHFFFAOYSA-N 0 0 489.391 4.287 50 0 JIAARN CCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1cc(OC)c(OC)cc1OC ZINC000001148384 194049210 /nfs/dbraw/zinc/04/92/10/194049210.db2.gz KAWGABGJHAKJFZ-UHFFFAOYSA-N 0 0 499.535 4.345 50 0 JIAARN CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000001146749 194048397 /nfs/dbraw/zinc/04/83/97/194048397.db2.gz BSUZXCOASGYSNP-UHFFFAOYSA-N 0 0 479.602 4.291 50 0 JIAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCC(=O)[C@@H]5CCCC[C@H]54)c3n2)cc1 ZINC000001130376 194038760 /nfs/dbraw/zinc/03/87/60/194038760.db2.gz LCJABDVBZQBDIL-VQIMIIECSA-N 0 0 454.477 4.316 50 0 JIAARN CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(Br)cc2)c2ccccc12 ZINC000001130870 194039134 /nfs/dbraw/zinc/03/91/34/194039134.db2.gz DJZFFOITYVVUQQ-UHFFFAOYSA-N 0 0 462.321 4.269 50 0 JIAARN COc1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000001131943 194039880 /nfs/dbraw/zinc/03/98/80/194039880.db2.gz VVKCORDPEJNCBQ-UHFFFAOYSA-N 0 0 475.364 4.292 50 0 JIAARN O=C(Nc1ccc(Br)cc1)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000001134959 194041503 /nfs/dbraw/zinc/04/15/03/194041503.db2.gz ILPWDRNLDBXNOQ-FQEVSTJZSA-N 0 0 453.292 4.480 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000001139546 194043867 /nfs/dbraw/zinc/04/38/67/194043867.db2.gz OAVWEMDCHQZWMR-UHFFFAOYSA-N 0 0 460.577 4.304 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001141357 194044871 /nfs/dbraw/zinc/04/48/71/194044871.db2.gz NAZQQVKYQUCLJQ-UHFFFAOYSA-N 0 0 452.532 4.249 50 0 JIAARN COc1ccccc1C(=O)N[C@H](NC(=S)Nc1ccc(NC(C)=O)cc1)C(Cl)(Cl)Cl ZINC000001170919 194059883 /nfs/dbraw/zinc/05/98/83/194059883.db2.gz PEIBVSJMYMHYKT-QGZVFWFLSA-N 0 0 489.812 4.066 50 0 JIAARN Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1Cl ZINC000001151308 194050650 /nfs/dbraw/zinc/05/06/50/194050650.db2.gz JVGJONFLKHAHIS-CQSZACIVSA-N 0 0 450.716 4.190 50 0 JIAARN COc1ccc(-n2c(=O)c(C(=O)Nc3ccc(Cl)cn3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000001151203 194050682 /nfs/dbraw/zinc/05/06/82/194050682.db2.gz XEWREPKJOYIODB-UHFFFAOYSA-N 0 0 451.910 4.302 50 0 JIAARN O=C(Nn1c(COc2ccccc2)nc2ccccc2c1=O)c1ccc(Br)cc1 ZINC000001157691 194053167 /nfs/dbraw/zinc/05/31/67/194053167.db2.gz CIKFWRDBAULGHG-UHFFFAOYSA-N 0 0 450.292 4.122 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(Cc3cccc(C)c3)s2)c1 ZINC000001162641 194055656 /nfs/dbraw/zinc/05/56/56/194055656.db2.gz HZRTVGKKIQCQNO-UHFFFAOYSA-N 0 0 479.027 4.374 50 0 JIAARN O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1 ZINC000001162798 194055985 /nfs/dbraw/zinc/05/59/85/194055985.db2.gz XAILXPJJHLWNGI-UHFFFAOYSA-N 0 0 482.364 4.035 50 0 JIAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000001171222 194060173 /nfs/dbraw/zinc/06/01/73/194060173.db2.gz ZHYIKHODIVFKQU-UHFFFAOYSA-N 0 0 474.336 4.430 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)Cc2ccccc2)cc1 ZINC000001193423 194066204 /nfs/dbraw/zinc/06/62/04/194066204.db2.gz RGBKSKRUNWNWJE-UHFFFAOYSA-N 0 0 474.966 4.187 50 0 JIAARN COc1ccc(NC(=S)N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1OC ZINC000001193774 194066360 /nfs/dbraw/zinc/06/63/60/194066360.db2.gz UEMHRVNESUEJCQ-QGZVFWFLSA-N 0 0 476.813 4.045 50 0 JIAARN Cc1ccc(C)c(NC(=O)CSCc2nc3c(nnn3Cc3ccccc3Cl)c(=O)[nH]2)c1 ZINC000001221413 194074165 /nfs/dbraw/zinc/07/41/65/194074165.db2.gz KIXJWYFQRWCQIW-UHFFFAOYSA-N 0 0 468.970 4.117 50 0 JIAARN COc1ccc(CN2C(=S)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 ZINC000001298812 194082248 /nfs/dbraw/zinc/08/22/48/194082248.db2.gz BRYVZBRSCJGHHE-QFIPXVFZSA-N 0 0 463.534 4.365 50 0 JIAARN CC(=O)Oc1ccc(Cl)cc1N1C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)cc2C1=O ZINC000001305282 194083032 /nfs/dbraw/zinc/08/30/32/194083032.db2.gz RWWLJAMCABNMJE-UHFFFAOYSA-N 0 0 460.829 4.234 50 0 JIAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccccc1)c2C(=O)Nc1ccccc1OC ZINC000001320833 194084255 /nfs/dbraw/zinc/08/42/55/194084255.db2.gz YBMRINICEGXAAJ-UHFFFAOYSA-N 0 0 462.531 4.222 50 0 JIAARN C[C@@](O)(CS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001388622 194113854 /nfs/dbraw/zinc/11/38/54/194113854.db2.gz WIIKHIBPJPAOLR-MRXNPFEDSA-N 0 0 456.269 4.176 50 0 JIAARN CCOC(=O)c1cnc(SC)nc1Oc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000001394776 194114585 /nfs/dbraw/zinc/11/45/85/194114585.db2.gz YPCWIPXWFXZUIE-UHFFFAOYSA-N 0 0 463.512 4.107 50 0 JIAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1CS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000001401066 194115027 /nfs/dbraw/zinc/11/50/27/194115027.db2.gz PGDAGZGVMVDMTM-UHFFFAOYSA-N 0 0 474.888 4.051 50 0 JIAARN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(C)o5)c(=O)n42)c2ccccc2CC3)c1OC ZINC000001411795 194117013 /nfs/dbraw/zinc/11/70/13/194117013.db2.gz SDFRUNAVCGPPJN-XSZPGNIMSA-N 0 0 484.577 4.237 50 0 JIAARN Cc1cc(C)nc(SCC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)Cc2ccc(Cl)cc2)n1 ZINC000001420445 194117577 /nfs/dbraw/zinc/11/75/77/194117577.db2.gz SUHCPVMYJDMDKW-UHFFFAOYSA-N 0 0 498.992 4.235 50 0 JIAARN COc1ccc([C@H]2OC(=O)N(Cc3ccc(OC)c(OC)c3)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000001423028 194118322 /nfs/dbraw/zinc/11/83/22/194118322.db2.gz MJZDTEFNQVJEPP-AOYPEHQESA-N 0 0 465.502 4.260 50 0 JIAARN CCCc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl)OCO2 ZINC000001425754 194119053 /nfs/dbraw/zinc/11/90/53/194119053.db2.gz SKXYSJOHEIHYNX-UHFFFAOYSA-N 0 0 459.351 4.177 50 0 JIAARN CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccc(OC)c(OC)c1 ZINC000001457748 194123871 /nfs/dbraw/zinc/12/38/71/194123871.db2.gz JLVTUMNPXBGOKR-UHFFFAOYSA-N 0 0 481.545 4.206 50 0 JIAARN O=C1OC(c2ccccc2Br)=NC1=CNc1ccc(I)cc1 ZINC000001511942 194126824 /nfs/dbraw/zinc/12/68/24/194126824.db2.gz RFBYHFLSXMEWDG-ZROIWOOFSA-N 0 0 469.076 4.311 50 0 JIAARN COCCOCC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cccc(C)c1)c2=O ZINC000001777134 194138134 /nfs/dbraw/zinc/13/81/34/194138134.db2.gz PMIZDHARGVIZMW-UHFFFAOYSA-N 0 0 452.381 4.481 50 0 JIAARN O=C(c1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1)N1CCc2ccccc2C1 ZINC000001785738 194139479 /nfs/dbraw/zinc/13/94/79/194139479.db2.gz HIGYVORLNPBUSI-UHFFFAOYSA-N 0 0 485.971 4.359 50 0 JIAARN O=C(NCc1ccccc1)c1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1 ZINC000001785705 194139485 /nfs/dbraw/zinc/13/94/85/194139485.db2.gz UNKDYDBKXNTWST-UHFFFAOYSA-N 0 0 459.933 4.090 50 0 JIAARN COC(=O)c1c(NC(=O)COc2cc(C)c(Cl)c(C)c2)sc2c1[C@H](C(=O)OC)CC2 ZINC000001747469 194133480 /nfs/dbraw/zinc/13/34/80/194133480.db2.gz PXNNQMRHOKOECV-CYBMUJFWSA-N 0 0 451.928 4.025 50 0 JIAARN COc1cc(/C=C/C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)C3=O)cc(OC)c1OC ZINC000001830008 194148005 /nfs/dbraw/zinc/14/80/05/194148005.db2.gz WACMYJVKHCGUNV-BQYQJAHWSA-N 0 0 463.486 4.056 50 0 biogenic JIAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2N)c1 ZINC000002378784 194160529 /nfs/dbraw/zinc/16/05/29/194160529.db2.gz UVFLUAUYIRXDNH-UHFFFAOYSA-N 0 0 457.865 4.071 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccc(OC)cc3)o1)CCC2 ZINC000002129162 194157100 /nfs/dbraw/zinc/15/71/00/194157100.db2.gz KXCWCCOZLJZROM-UHFFFAOYSA-N 0 0 459.549 4.203 50 0 JIAARN COc1ccccc1OCc1ccc(C(=O)Nc2c(C)nn(Cn3cc(Cl)cn3)c2C)o1 ZINC000002795640 194165662 /nfs/dbraw/zinc/16/56/62/194165662.db2.gz QDBIBLKMBSGIOK-UHFFFAOYSA-N 0 0 455.902 4.289 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000002890681 194167573 /nfs/dbraw/zinc/16/75/73/194167573.db2.gz AMZVNEFDTDBJMS-CQSZACIVSA-N 0 0 471.804 4.450 50 0 JIAARN O=C(N/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)N1CCOCC1)c1ccccc1 ZINC000002901086 194168080 /nfs/dbraw/zinc/16/80/80/194168080.db2.gz ZGGVMGVHQWOVDD-QOMWVZHYSA-N 0 0 478.552 4.169 50 0 JIAARN Cc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2ncn(CC(=O)N3CCC[C@@H](C)C3)c(=O)c12 ZINC000002921072 194169457 /nfs/dbraw/zinc/16/94/57/194169457.db2.gz URXDXAYUSAXWQT-CYBMUJFWSA-N 0 0 492.523 4.296 50 0 JIAARN Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 ZINC000002922356 194169585 /nfs/dbraw/zinc/16/95/85/194169585.db2.gz WBZRAIBEURMPJP-UHFFFAOYSA-N 0 0 478.496 4.050 50 0 JIAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12 ZINC000002922579 194169974 /nfs/dbraw/zinc/16/99/74/194169974.db2.gz WRYNAQCIPABQTP-UHFFFAOYSA-N 0 0 492.523 4.296 50 0 JIAARN Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 ZINC000002922492 194169983 /nfs/dbraw/zinc/16/99/83/194169983.db2.gz QXCRCPUTKMWTAS-ZDUSSCGKSA-N 0 0 492.523 4.439 50 0 JIAARN Cc1ncc(CO)c2cc(C(=O)Nc3ccccc3Cl)/c(=N/c3ccc4c(c3)OCO4)oc12 ZINC000002955534 194179389 /nfs/dbraw/zinc/17/93/89/194179389.db2.gz MEUKIOWBBQRXKU-PNHLSOANSA-N 0 0 463.877 4.495 50 0 JIAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(C)cc(C)cc1C ZINC000002956881 194180021 /nfs/dbraw/zinc/18/00/21/194180021.db2.gz UGPJOMAIRMXYIG-UHFFFAOYSA-N 0 0 461.587 4.198 50 0 JIAARN CCOc1ccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)Nc2ccccc2OCC)cc1 ZINC000002927273 194171999 /nfs/dbraw/zinc/17/19/99/194171999.db2.gz SRRRJZXRUXXPHS-UHFFFAOYSA-N 0 0 478.578 4.065 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nc3nnc(C)c-3c(N)n2-c2cccc(Cl)c2)cc1 ZINC000002927360 194172363 /nfs/dbraw/zinc/17/23/63/194172363.db2.gz HGNXOUOOPWTUJG-UHFFFAOYSA-N 0 0 468.970 4.319 50 0 JIAARN Cc1ccc(SCCNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 ZINC000002929806 194173438 /nfs/dbraw/zinc/17/34/38/194173438.db2.gz QFZZECNGFUAEIR-UHFFFAOYSA-N 0 0 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460.353 4.310 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(CCc4ccc(O)cc4)CC3)CC2)c(C)c1 ZINC000012876680 195166673 /nfs/dbraw/zinc/16/66/73/195166673.db2.gz WKBCJMVGSMTUQO-UHFFFAOYSA-N 0 0 484.662 4.281 50 0 JIAARN COc1ccc(NC(=O)Cc2c(C)c3c(OC)cc4c(c3oc2=O)CCC(C)(C)O4)cc1OC ZINC000012899640 195176843 /nfs/dbraw/zinc/17/68/43/195176843.db2.gz OWHYMWGSWAWZKL-UHFFFAOYSA-N 0 0 467.518 4.412 50 0 biogenic JIAARN CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012877901 195167077 /nfs/dbraw/zinc/16/70/77/195167077.db2.gz WQAULOIROCIWQI-XTGSJPGBSA-N 0 0 450.579 4.409 50 0 JIAARN COc1ccc([C@@H]2CN3C(=O)CN(CCc4ccccc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000012878294 195167227 /nfs/dbraw/zinc/16/72/27/195167227.db2.gz SHSZRCNSXKUMDG-NGQVCNFZSA-N 0 0 479.580 4.451 50 0 biogenic JIAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CSc1nnc2n1CCCCC2 ZINC000012880125 195167830 /nfs/dbraw/zinc/16/78/30/195167830.db2.gz HIAURMOYJMNZRW-UHFFFAOYSA-N 0 0 460.991 4.237 50 0 JIAARN COc1ccccc1[C@@H]1CN2C(=O)CN(CCc3ccccc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012880445 195168148 /nfs/dbraw/zinc/16/81/48/195168148.db2.gz MQYRUOZOEGQCPD-JHOBJCJYSA-N 0 0 479.580 4.451 50 0 biogenic JIAARN CCC(CC)c1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)s1 ZINC000012884490 195169936 /nfs/dbraw/zinc/16/99/36/195169936.db2.gz QAVIGGHEDUIXHJ-UHFFFAOYSA-N 0 0 466.629 4.267 50 0 JIAARN O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012889723 195172351 /nfs/dbraw/zinc/17/23/51/195172351.db2.gz POBVSMCQRQKGJX-UHFFFAOYSA-N 0 0 465.358 4.400 50 0 JIAARN C[C@]12C(=O)N(c3cccc(C(=O)NCc4ccc(F)cc4)c3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000012863900 195160703 /nfs/dbraw/zinc/16/07/03/195160703.db2.gz TVABQHOWPLHYOJ-NDEPHWFRSA-N 0 0 482.515 4.477 50 0 biogenic JIAARN C[C@@H]1C[C@@H](C)CN(C(=O)CSC2=Nc3ccccc3C3=N[C@@H](Cc4ccccc4)C(=O)N32)C1 ZINC000020642449 195193705 /nfs/dbraw/zinc/19/37/05/195193705.db2.gz XOHYHGQQZJXDEU-HMFYCAOWSA-N 0 0 460.603 4.126 50 0 JIAARN C[C@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000012905270 195179418 /nfs/dbraw/zinc/17/94/18/195179418.db2.gz WTNOTFZSPJTEEX-HOTGVXAUSA-N 0 0 453.489 4.452 50 0 JIAARN COC(=O)c1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 ZINC000012905856 195179533 /nfs/dbraw/zinc/17/95/33/195179533.db2.gz DVFRKJPWZMGAME-UHFFFAOYSA-N 0 0 471.513 4.273 50 0 JIAARN CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc([C@@H]2COc3ccccc3O2)o1 ZINC000012905965 195179764 /nfs/dbraw/zinc/17/97/64/195179764.db2.gz QQIMUXIWZPJUMX-HNNXBMFYSA-N 0 0 451.957 4.438 50 0 JIAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1 ZINC000020604862 195180666 /nfs/dbraw/zinc/18/06/66/195180666.db2.gz JUCVDRLZBLFAQS-SFHVURJKSA-N 0 0 456.593 4.411 50 0 JIAARN CCOc1ccc(NC(=O)c2ccc3c(=O)[nH]c4c(C(=O)NC(C)C)sc(=S)n4c3c2)cc1 ZINC000020617792 195189606 /nfs/dbraw/zinc/18/96/06/195189606.db2.gz XCHGSXKHZRESIX-UHFFFAOYSA-N 0 0 482.587 4.361 50 0 JIAARN Cc1coc2c1cc1c(C)c(CC(=O)Nc3ccc(CN4CCOCC4)cc3)c(=O)oc1c2C ZINC000020623154 195190864 /nfs/dbraw/zinc/19/08/64/195190864.db2.gz YFXHMFMMLRSJEK-UHFFFAOYSA-N 0 0 460.530 4.478 50 0 JIAARN Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccccc3)CC1)n2C ZINC000020677109 195201914 /nfs/dbraw/zinc/20/19/14/195201914.db2.gz RSLQWCJWXOHQQT-UHFFFAOYSA-N 0 0 467.573 4.092 50 0 JIAARN O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[NH+]1CCN(CCc2ccccn2)CC1 ZINC000020677205 195202289 /nfs/dbraw/zinc/20/22/89/195202289.db2.gz DAQBNOVCGOZLKI-MHZLTWQESA-N 0 0 470.573 4.128 50 0 JIAARN CCc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)N2CCN(c3ccc(C)cc3)[C@@H](C)C2)cc1 ZINC000020679363 195203374 /nfs/dbraw/zinc/20/33/74/195203374.db2.gz WIXFPBALTSKTPV-LGGPFLRQSA-N 0 0 484.600 4.492 50 0 JIAARN Cc1ccccc1CS(=O)(=O)C[C@@H]1Nc2ccc(C(=O)NC3CCCCCCC3)cc2NC1=O ZINC000020680242 195203700 /nfs/dbraw/zinc/20/37/00/195203700.db2.gz DNSIIBSRBCKBJW-DEOSSOPVSA-N 0 0 483.634 4.185 50 0 JIAARN CCOc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3C)o2)cc1OCC ZINC000020724112 195206952 /nfs/dbraw/zinc/20/69/52/195206952.db2.gz NBYTWSXKKJLWJZ-UHFFFAOYSA-N 0 0 485.602 4.473 50 0 JIAARN COC(CNC(=O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2)OC ZINC000020730039 195209449 /nfs/dbraw/zinc/20/94/49/195209449.db2.gz ALIOCSJNQAEJMA-UHFFFAOYSA-N 0 0 466.534 4.486 50 0 JIAARN CC1CCN(S(=O)(=O)c2ccc(Cc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc2)CC1 ZINC000020663674 195197074 /nfs/dbraw/zinc/19/70/74/195197074.db2.gz NQKUCPIQMUNOAI-UHFFFAOYSA-N 0 0 490.691 4.119 50 0 JIAARN Cc1ccc(N2C(=O)N(Cc3ccc(Br)cc3F)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000020848755 195230515 /nfs/dbraw/zinc/23/05/15/195230515.db2.gz NBYDLNQFDODJMA-ROUUACIJSA-N 0 0 487.778 4.158 50 0 JIAARN Cc1ccc(N2C(=O)N(Cc3ccc(Br)cc3F)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000020848753 195230569 /nfs/dbraw/zinc/23/05/69/195230569.db2.gz NBYDLNQFDODJMA-ZWKOTPCHSA-N 0 0 487.778 4.158 50 0 JIAARN COc1ccc(CNC(=O)C[C@@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020850838 195231228 /nfs/dbraw/zinc/23/12/28/195231228.db2.gz OFDGJLGWZVXHSY-XMMPIXPASA-N 0 0 485.005 4.343 50 0 JIAARN CCOc1cccc2sc(N(CCN3CCOCC3)C(=O)c3nc4ccccc4s3)nc21 ZINC000020742754 195214511 /nfs/dbraw/zinc/21/45/11/195214511.db2.gz WWPAZUKEPIUACE-UHFFFAOYSA-N 0 0 468.604 4.284 50 0 JIAARN COc1cc(NC(=O)c2sc3ncn(Cc4ccccc4F)c(=O)c3c2C)cc(OC)c1OC ZINC000020740959 195214588 /nfs/dbraw/zinc/21/45/88/195214588.db2.gz KQUQIOYEFZLUTP-UHFFFAOYSA-N 0 0 483.521 4.232 50 0 JIAARN CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1OCC ZINC000020790714 195225579 /nfs/dbraw/zinc/22/55/79/195225579.db2.gz KSPGGNNGVUFWEA-UHFFFAOYSA-N 0 0 476.529 4.063 50 0 JIAARN COc1ccc(S(=O)(=O)n2nc(-c3ccco3)nc2NCc2cccc(Br)c2)cc1 ZINC000020894630 195239011 /nfs/dbraw/zinc/23/90/11/195239011.db2.gz ZGGYBKUZEOOSFL-UHFFFAOYSA-N 0 0 489.351 4.158 50 0 JIAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000020895768 195239546 /nfs/dbraw/zinc/23/95/46/195239546.db2.gz FONZFFUTVXQRKS-AWEZNQCLSA-N 0 0 482.562 4.203 50 0 JIAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O ZINC000020899499 195240925 /nfs/dbraw/zinc/24/09/25/195240925.db2.gz GEUDRUXAROAVPI-UHFFFAOYSA-N 0 0 491.345 4.423 50 0 JIAARN CCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2ccccc2OC)c1=O ZINC000020899834 195241208 /nfs/dbraw/zinc/24/12/08/195241208.db2.gz ZGMXYBXTXJBWGG-UHFFFAOYSA-N 0 0 470.529 4.368 50 0 JIAARN CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000020914633 195246082 /nfs/dbraw/zinc/24/60/82/195246082.db2.gz PASQWJBVSAROBS-HXUWFJFHSA-N 0 0 461.488 4.075 50 0 JIAARN Cc1c2cnn(CC(=O)NCCCc3ccccc3)c(=O)c2c(C)n1Cc1ccc(Cl)cc1 ZINC000020866835 195234776 /nfs/dbraw/zinc/23/47/76/195234776.db2.gz IIDPHAUQVAJNBJ-UHFFFAOYSA-N 0 0 462.981 4.266 50 0 JIAARN Cc1c2cnn(CC(=O)NC[C@@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccc(Cl)cc1 ZINC000020866884 195234799 /nfs/dbraw/zinc/23/47/99/195234799.db2.gz AIXQXXACBCJDKZ-QGZVFWFLSA-N 0 0 462.981 4.436 50 0 JIAARN O=c1cc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)c2ccc(O)cc2o1 ZINC000020869350 195235320 /nfs/dbraw/zinc/23/53/20/195235320.db2.gz CSTXPBVUCUNIDN-UHFFFAOYSA-N 0 0 499.570 4.016 50 0 JIAARN CC[C@@H](C(=O)NCCc1cccs1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937814 195253908 /nfs/dbraw/zinc/25/39/08/195253908.db2.gz AZFAGFOYIAOXPI-NRFANRHFSA-N 0 0 459.637 4.187 50 0 JIAARN CCn1cc2nc(SCC(=O)Nc3ccc(F)cc3F)n(Cc3ccc(Cl)cc3)c(=O)c2n1 ZINC000020981652 195259114 /nfs/dbraw/zinc/25/91/14/195259114.db2.gz OMYWUKMLVYEKJN-UHFFFAOYSA-N 0 0 489.935 4.324 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nc3cn(CC)nc3c(=O)n2Cc2ccc(Cl)cc2)cc1 ZINC000020981628 195259127 /nfs/dbraw/zinc/25/91/27/195259127.db2.gz TURRELMSEJPEFV-UHFFFAOYSA-N 0 0 498.008 4.444 50 0 JIAARN COc1ccc([C@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)N2CCOCC2)cc1 ZINC000020926845 195249205 /nfs/dbraw/zinc/24/92/05/195249205.db2.gz DERRVUQJGLAMNN-NDEPHWFRSA-N 0 0 496.611 4.410 50 0 JIAARN CCOC(=O)C[C@H]1c2cc(OCC)c(OCC)cc2CCN1CC(=O)Nc1ccc(F)cc1F ZINC000020932222 195251466 /nfs/dbraw/zinc/25/14/66/195251466.db2.gz DNNIGBYPBKMNQY-NRFANRHFSA-N 0 0 476.520 4.253 50 0 JIAARN O=C(c1ccc(CN2C(=O)CSc3ncccc32)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020934642 195252107 /nfs/dbraw/zinc/25/21/07/195252107.db2.gz FQRJVAWLDXEHGO-UHFFFAOYSA-N 0 0 479.005 4.336 50 0 JIAARN COc1ccccc1S(=O)(=O)Cc1nc(-c2ccc(C(=O)NC3CCCC3)cc2)oc1C ZINC000020935112 195252571 /nfs/dbraw/zinc/25/25/71/195252571.db2.gz CCHWERBRTJEIBU-UHFFFAOYSA-N 0 0 454.548 4.305 50 0 JIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCN(C(=O)Nc3cccc(C)c3)CC1)nnc2C ZINC000020987688 195261262 /nfs/dbraw/zinc/26/12/62/195261262.db2.gz OJCWCIVQTXALCH-UHFFFAOYSA-N 0 0 455.566 4.403 50 0 JIAARN Cc1cc(C)c2c(-n3cccc3)nn(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2n1 ZINC000020992721 195262470 /nfs/dbraw/zinc/26/24/70/195262470.db2.gz AEVRYYOKCCCLOC-UHFFFAOYSA-N 0 0 462.985 4.149 50 0 JIAARN COc1ccc(OC)c2nc(N(C)C)c(CN(C[C@H]3CCCO3)C(=O)CC3CCCC3)cc12 ZINC000020993073 195262820 /nfs/dbraw/zinc/26/28/20/195262820.db2.gz OOUQOSZHSRRFIS-HXUWFJFHSA-N 0 0 455.599 4.406 50 0 JIAARN C[C@@H](CC(=O)N(Cc1ccco1)C1CCCCC1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000020995699 195264465 /nfs/dbraw/zinc/26/44/65/195264465.db2.gz YVLXNKNVEONKDM-IBGZPJMESA-N 0 0 498.645 4.493 50 0 JIAARN Cc1nn(-c2ccccc2)c2c1N(C(=O)CCC(=O)NCCc1ccc(Cl)cc1)CCS2 ZINC000021023837 195268800 /nfs/dbraw/zinc/26/88/00/195268800.db2.gz ZZOOPYZJYUVYNT-UHFFFAOYSA-N 0 0 469.010 4.412 50 0 JIAARN CC(=O)Oc1ccc(Br)cc1[C@H]1OC(c2ccc(Br)s2)=NN1C(C)=O ZINC000021092298 195274775 /nfs/dbraw/zinc/27/47/75/195274775.db2.gz WMKRJHROZHKLSZ-MRXNPFEDSA-N 0 0 488.157 4.438 50 0 JIAARN CC(=O)Oc1ccc(Br)cc1[C@@H]1OC(c2ccc(Br)s2)=NN1C(C)=O ZINC000021092293 195274826 /nfs/dbraw/zinc/27/48/26/195274826.db2.gz WMKRJHROZHKLSZ-INIZCTEOSA-N 0 0 488.157 4.438 50 0 JIAARN NC(=O)N[C@@H](CC(=O)OCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1Cl ZINC000021136856 195281131 /nfs/dbraw/zinc/28/11/31/195281131.db2.gz XLCXWXYIKLFLHX-QFIPXVFZSA-N 0 0 481.936 4.200 50 0 JIAARN COc1cccc(NC(=O)[C@H](C)n2cnc3c4cc5c(nc4sc3c2=O)CC(C)(C)OC5)c1 ZINC000021151841 195283255 /nfs/dbraw/zinc/28/32/55/195283255.db2.gz KDFKEFHOJJSNMD-ZDUSSCGKSA-N 0 0 464.547 4.066 50 0 JIAARN CC(C)OCCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1 ZINC000021158728 195285757 /nfs/dbraw/zinc/28/57/57/195285757.db2.gz DRMURDCUWMJSRT-UHFFFAOYSA-N 0 0 452.574 4.371 50 0 JIAARN CCCCOc1ccc([C@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1OC ZINC000021176016 195289839 /nfs/dbraw/zinc/28/98/39/195289839.db2.gz PHRCGRYXABQMKZ-AREMUKBSSA-N 0 0 489.572 4.013 50 0 JIAARN COc1ccc([C@@H]2OCC(C)(C)n3c(-c4ccc(Cl)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000021176281 195290154 /nfs/dbraw/zinc/29/01/54/195290154.db2.gz JMGZXFSDRSOHLZ-QHCPKHFHSA-N 0 0 479.964 4.222 50 0 JIAARN COc1ccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2c[nH]c4ccccc42)n(C)c(=O)n(C)c3=O)cc1 ZINC000021176493 195290428 /nfs/dbraw/zinc/29/04/28/195290428.db2.gz KCQUUOHBGIRUBG-VWLOTQADSA-N 0 0 484.556 4.050 50 0 JIAARN CCCN(CC1CC1)C(=O)COC(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000021234737 195292176 /nfs/dbraw/zinc/29/21/76/195292176.db2.gz QYAHRXMQRNEXBK-PKNBQFBNSA-N 0 0 456.539 4.084 50 0 JIAARN CC(=O)c1ccc(N2CCN(c3ccc4cc(S(=O)(=O)N5CCC(C)CC5)ccc4n3)CC2)cc1 ZINC000021232638 195292187 /nfs/dbraw/zinc/29/21/87/195292187.db2.gz DUMNLVDJUQVAFY-UHFFFAOYSA-N 0 0 492.645 4.185 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(C)c(C)c2)c2ncnn2[C@H]1c1ccc(C)cc1 ZINC000021350695 195296284 /nfs/dbraw/zinc/29/62/84/195296284.db2.gz MNXSFLZPXIADMF-DEOSSOPVSA-N 0 0 459.550 4.089 50 0 JIAARN COc1ccccc1OCCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C(C)(C)C)C3 ZINC000021352665 195296868 /nfs/dbraw/zinc/29/68/68/195296868.db2.gz CRUJSZDUWOAVMX-MRXNPFEDSA-N 0 0 483.634 4.272 50 0 JIAARN O=c1c2cc(Cl)ccc2ncn1C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000021358651 195298417 /nfs/dbraw/zinc/29/84/17/195298417.db2.gz MCTKYMOOJYQCNL-UHFFFAOYSA-N 0 0 471.888 4.095 50 0 JIAARN COc1ccc(CN2CCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1F ZINC000021390449 195300719 /nfs/dbraw/zinc/30/07/19/195300719.db2.gz 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/nfs/dbraw/zinc/63/83/67/523638367.db2.gz XSDDUTDXPLWCAS-UHFFFAOYSA-N 0 0 477.470 4.297 50 0 JIAARN COc1ccc(C(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)c(OC)c1 ZINC000046123336 523641629 /nfs/dbraw/zinc/64/16/29/523641629.db2.gz VISBMEXLERTVLT-AWEZNQCLSA-N 0 0 486.981 4.481 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)NC(C)C ZINC000036122179 523646899 /nfs/dbraw/zinc/64/68/99/523646899.db2.gz ZRDNDRKFJBQDTE-QHCPKHFHSA-N 0 0 487.666 4.443 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000036121359 523647452 /nfs/dbraw/zinc/64/74/52/523647452.db2.gz FZSDDVDSQIZWGV-DEOSSOPVSA-N 0 0 496.604 4.110 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)CC(C)C ZINC000036115633 523647662 /nfs/dbraw/zinc/64/76/62/523647662.db2.gz YNQHTEMZVUNHRB-NRFANRHFSA-N 0 0 479.042 4.427 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)CC(C)C ZINC000036115634 523648983 /nfs/dbraw/zinc/64/89/83/523648983.db2.gz YNQHTEMZVUNHRB-OAQYLSRUSA-N 0 0 479.042 4.427 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)c1cccc(C)c1 ZINC000036120346 523651573 /nfs/dbraw/zinc/65/15/73/523651573.db2.gz ULPHAMIFCQXUSY-HSZRJFAPSA-N 0 0 496.604 4.489 50 0 JIAARN CCn1ncc(-c2ccnc3cc(C(=O)N4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)nn32)c1C ZINC000022818660 523688987 /nfs/dbraw/zinc/68/89/87/523688987.db2.gz IYXYRZPNRYZUHJ-UHFFFAOYSA-N 0 0 498.418 4.186 50 0 JIAARN CCc1cc(=NNC(=S)NC[C@@H]2CCCO2)oc2cc3c(cc12)CCC1(CCCCC1)O3 ZINC000070655969 523730688 /nfs/dbraw/zinc/73/06/88/523730688.db2.gz LFBCPKJGQZSRIJ-ZCVHIRLZSA-N 0 0 455.624 4.482 50 0 JIAARN COc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2C)cc1 ZINC000002867137 523734533 /nfs/dbraw/zinc/73/45/33/523734533.db2.gz CMRZKMUNIHVHMN-CYBMUJFWSA-N 0 0 493.511 4.064 50 0 JIAARN COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1 ZINC000016607694 523736765 /nfs/dbraw/zinc/73/67/65/523736765.db2.gz LTWLCUFOYWGDLZ-OAQYLSRUSA-N 0 0 476.533 4.333 50 0 JIAARN COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000002664271 523737927 /nfs/dbraw/zinc/73/79/27/523737927.db2.gz PTLCYBGIWMKTAV-QHCPKHFHSA-N 0 0 464.587 4.323 50 0 JIAARN COc1ccc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccc4c(c3)OCO4)cs2)c(OC)c1 ZINC000012442326 523743808 /nfs/dbraw/zinc/74/38/08/523743808.db2.gz PTVMVZJLPLKFMI-UHFFFAOYSA-N 0 0 464.503 4.302 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(C(=O)NCC3(c4ccc(OC)cc4)CCOCC3)cc2)cc1 ZINC000016361515 523746431 /nfs/dbraw/zinc/74/64/31/523746431.db2.gz VUXUESINRVHOBM-UHFFFAOYSA-N 0 0 474.557 4.434 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1OC ZINC000033067917 523749153 /nfs/dbraw/zinc/74/91/53/523749153.db2.gz QKVMDCOGPKTSBO-UHFFFAOYSA-N 0 0 459.502 4.160 50 0 JIAARN COCCN(Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)C1CCC1 ZINC000004198623 523752574 /nfs/dbraw/zinc/75/25/74/523752574.db2.gz QUWUVHWEXUVPEI-UHFFFAOYSA-N 0 0 471.497 4.248 50 0 JIAARN COc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(F)cc2)cc1Br ZINC000027523032 523766215 /nfs/dbraw/zinc/76/62/15/523766215.db2.gz FGXUDRKTDDISBO-UHFFFAOYSA-N 0 0 468.282 4.358 50 0 JIAARN COCCN(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)c1ccccc1F ZINC000036114922 523772821 /nfs/dbraw/zinc/77/28/21/523772821.db2.gz VNVUZRZADQQSGT-UHFFFAOYSA-N 0 0 460.527 4.167 50 0 JIAARN COc1ccc(C(=O)Oc2ccc(C(C)=O)c(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1OC ZINC000002173597 523773562 /nfs/dbraw/zinc/77/35/62/523773562.db2.gz QLDRSUXBKNPSHS-UHFFFAOYSA-N 0 0 480.469 4.362 50 0 JIAARN COc1ccc(C)cc1NC(=O)CNC(=O)Cn1c2ccccc2nc1SCCC(C)C ZINC000012520363 523824796 /nfs/dbraw/zinc/82/47/96/523824796.db2.gz OVZFDVYSHBTRRM-UHFFFAOYSA-N 0 0 454.596 4.246 50 0 JIAARN COc1ccc(C)cc1NC(=O)Cn1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1=O ZINC000023126162 523828055 /nfs/dbraw/zinc/82/80/55/523828055.db2.gz AQOFEDITKMOXPL-UHFFFAOYSA-N 0 0 450.882 4.174 50 0 JIAARN CN(C(=O)COC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)C1CCCCC1 ZINC000033684551 523830233 /nfs/dbraw/zinc/83/02/33/523830233.db2.gz YLUVYNDMZSNOKT-MSUUIHNZSA-N 0 0 456.564 4.047 50 0 JIAARN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000002886545 523847752 /nfs/dbraw/zinc/84/77/52/523847752.db2.gz YCCCUIPUBLAWSD-HNNXBMFYSA-N 0 0 456.486 4.062 50 0 JIAARN CCc1cc2c(ncnc2N2CCC(C(=O)NCCCN3CCCc4ccccc43)CC2)s1 ZINC000021716355 523849151 /nfs/dbraw/zinc/84/91/51/523849151.db2.gz QVWMOLMLJVJTOW-UHFFFAOYSA-N 0 0 463.651 4.429 50 0 JIAARN CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000021882772 523855593 /nfs/dbraw/zinc/85/55/93/523855593.db2.gz KDIYBWYTSFOXQX-UHFFFAOYSA-N 0 0 459.571 4.390 50 0 JIAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)S2(=O)=O)cc1 ZINC000008603138 523872279 /nfs/dbraw/zinc/87/22/79/523872279.db2.gz QOJFWHLSPHYOMO-LJQANCHMSA-N 0 0 490.581 4.289 50 0 JIAARN COCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1 ZINC000033115455 523889642 /nfs/dbraw/zinc/88/96/42/523889642.db2.gz DVDDPKCKLMISEP-UHFFFAOYSA-N 0 0 456.608 4.329 50 0 JIAARN COc1ccc(CC(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3ccccc3)n2)cc1Cl ZINC000021708390 523897089 /nfs/dbraw/zinc/89/70/89/523897089.db2.gz FLEIWLLFVIHDBQ-LJQANCHMSA-N 0 0 488.034 4.233 50 0 JIAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(OC)c3)c3ccc(OC)cc3c2=O)cc1 ZINC000008603407 523898901 /nfs/dbraw/zinc/89/89/01/523898901.db2.gz DVTPCRCVITUEFU-UHFFFAOYSA-N 0 0 470.525 4.451 50 0 JIAARN CCc1ccc(CN2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021862433 523924162 /nfs/dbraw/zinc/92/41/62/523924162.db2.gz DILLPZGLVXGMEZ-NDEPHWFRSA-N 0 0 452.558 4.330 50 0 JIAARN COCCNC(=O)c1ccc(Nc2c(Oc3ccc(F)cc3)cnn(-c3ccc(F)cc3)c2=O)cc1 ZINC000036094188 523925632 /nfs/dbraw/zinc/92/56/32/523925632.db2.gz GSXABOLORASIDX-UHFFFAOYSA-N 0 0 492.482 4.423 50 0 JIAARN COCCNC(=O)c1coc(CN(Cc2cccc(OC)c2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000036065512 523930080 /nfs/dbraw/zinc/93/00/80/523930080.db2.gz OXRRDWNXWDTSFQ-UHFFFAOYSA-N 0 0 477.483 4.281 50 0 JIAARN COc1ccc(CCN(C)C(=O)c2csc(NC(=O)c3cc(F)cc(F)c3)n2)cc1OC ZINC000040355865 523938683 /nfs/dbraw/zinc/93/86/83/523938683.db2.gz GKBKYQOHJHWTDF-UHFFFAOYSA-N 0 0 461.490 4.006 50 0 JIAARN CCc1ccc(CNC(=O)c2ccc(CN3c4ccccc4C(=O)N4CCC[C@H]4C3=O)cc2)cc1 ZINC000035459311 523939523 /nfs/dbraw/zinc/93/95/23/523939523.db2.gz IPJCWBCCAFTKAR-SANMLTNESA-N 0 0 467.569 4.330 50 0 JIAARN COc1ccc(CCN(CC(=O)Nc2ccc(C)cc2)CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000014357850 523940131 /nfs/dbraw/zinc/94/01/31/523940131.db2.gz LOUXVPNLSKWQNH-UHFFFAOYSA-N 0 0 475.589 4.443 50 0 JIAARN COc1ccc(CCN2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000008599926 523946085 /nfs/dbraw/zinc/94/60/85/523946085.db2.gz XAAXHLLRKFYUPW-DEOSSOPVSA-N 0 0 491.519 4.252 50 0 JIAARN COc1ccc(CCN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)c(OC)c1 ZINC000021858204 523946976 /nfs/dbraw/zinc/94/69/76/523946976.db2.gz LPYDPGQWITYEGE-PMERELPUSA-N 0 0 497.595 4.432 50 0 JIAARN COc1ccc(CCN2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c(OC)c1 ZINC000021810615 523947773 /nfs/dbraw/zinc/94/77/73/523947773.db2.gz CSGFTYPDYPCPPT-MHZLTWQESA-N 0 0 479.577 4.158 50 0 JIAARN CCc1ccc(Cn2c3nn(Cc4ccc(Cl)cc4)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946542 523954171 /nfs/dbraw/zinc/95/41/71/523954171.db2.gz NAIRDCOTTBYGGJ-UHFFFAOYSA-N 0 0 450.951 4.185 50 0 JIAARN CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)Cc2cscn2)CC1 ZINC000014981969 523955521 /nfs/dbraw/zinc/95/55/21/523955521.db2.gz YWIBSTVUAKRKLQ-QFIPXVFZSA-N 0 0 453.633 4.369 50 0 JIAARN COc1ccc(CCNC(=O)[C@@H]2C[C@H](c3ccccc3)CN(C(=O)c3ccccc3F)C2)cc1 ZINC000034709662 523966358 /nfs/dbraw/zinc/96/63/58/523966358.db2.gz XNVKLHVMGOCEFH-XZOQPEGZSA-N 0 0 460.549 4.439 50 0 JIAARN COCCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccc(NC(=O)C[C@H](C)CC(C)(C)C)c1 ZINC000016609458 523967845 /nfs/dbraw/zinc/96/78/45/523967845.db2.gz DGUVXTQBWPDJNC-AOMKIAJQSA-N 0 0 475.655 4.412 50 0 JIAARN COc1ccc(CCNC(=O)c2c(N)n(-c3ccc(C)cc3)c3nc4ccccc4nc32)cc1OC ZINC000002286645 523968035 /nfs/dbraw/zinc/96/80/35/523968035.db2.gz RLVYLABQNXSLRL-UHFFFAOYSA-N 0 0 481.556 4.454 50 0 JIAARN CN(C)C(=O)C1CCN(Cc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)CC1 ZINC000016695753 523971373 /nfs/dbraw/zinc/97/13/73/523971373.db2.gz OVEZFLQJIYNJAT-QHCPKHFHSA-N 0 0 459.384 4.357 50 0 JIAARN CCc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000021882030 523972231 /nfs/dbraw/zinc/97/22/31/523972231.db2.gz NAVUDYDLDYZAQL-UHFFFAOYSA-N 0 0 454.596 4.050 50 0 JIAARN CCc1ccc(NC(=O)CSc2nc3cn(CC)nc3c(=O)n2CCc2ccccc2)cc1 ZINC000009299918 523974500 /nfs/dbraw/zinc/97/45/00/523974500.db2.gz WFTXPKSVDWFRTJ-UHFFFAOYSA-N 0 0 461.591 4.149 50 0 JIAARN CCc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(OC)cc3)c(=O)c3cc(F)ccc32)cc1 ZINC000002693230 523977368 /nfs/dbraw/zinc/97/73/68/523977368.db2.gz PSTSAUGZXQKMKL-UHFFFAOYSA-N 0 0 494.544 4.183 50 0 JIAARN CCc1ccc(NC(=O)N2CCN(Cc3nc4cccnc4n3-c3cccc(F)c3)CC2)cc1 ZINC000065075446 523980348 /nfs/dbraw/zinc/98/03/48/523980348.db2.gz HMGNYDWHYDMYJU-UHFFFAOYSA-N 0 0 458.541 4.472 50 0 JIAARN COc1ccc(CN(C(=O)Cn2cnc3ccsc3c2=O)[C@H](C)Cc2cccs2)cc1 ZINC000026020047 523989769 /nfs/dbraw/zinc/98/97/69/523989769.db2.gz GTQKGORRWXERSN-MRXNPFEDSA-N 0 0 453.589 4.188 50 0 JIAARN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(Nc2cccc(OC)c2)n1 ZINC000037427316 523995216 /nfs/dbraw/zinc/99/52/16/523995216.db2.gz CSXJTCFDKQVFSO-JXFKEZNVSA-N 0 0 452.580 4.151 50 0 JIAARN CCc1ccc(Oc2cc(N3CCC(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)CC3)ncn2)cc1 ZINC000033311943 524009060 /nfs/dbraw/zinc/00/90/60/524009060.db2.gz WDQNTLJQMLIPQQ-UHFFFAOYSA-N 0 0 495.624 4.127 50 0 JIAARN CCc1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4cccc(F)c4)s3)CC2)cc1 ZINC000033114150 524011584 /nfs/dbraw/zinc/01/15/84/524011584.db2.gz GNXFRNQLFOWJKJ-UHFFFAOYSA-N 0 0 474.583 4.060 50 0 JIAARN CCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccccc3F)s2)cc1 ZINC000064941848 524011622 /nfs/dbraw/zinc/01/16/22/524011622.db2.gz GQQJEVWCTCXUQP-GOSISDBHSA-N 0 0 460.556 4.018 50 0 JIAARN COc1ccc(CN2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1OC ZINC000008603460 524019833 /nfs/dbraw/zinc/01/98/33/524019833.db2.gz 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COc1ccc(Cl)cc1NC(=O)Cn1nc(SC)c(-c2nc(-c3ccccc3)no2)c1N ZINC000046914244 524231843 /nfs/dbraw/zinc/23/18/43/524231843.db2.gz DRMAGDFZXIWRDL-UHFFFAOYSA-N 0 0 470.942 4.205 50 0 JIAARN COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccc(Br)cc3)C[C@H]21 ZINC000013619078 524232838 /nfs/dbraw/zinc/23/28/38/524232838.db2.gz GXLBFIYSYVYDSI-HXUWFJFHSA-N 0 0 470.367 4.340 50 0 JIAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)cc2)C1 ZINC000016225878 524242866 /nfs/dbraw/zinc/24/28/66/524242866.db2.gz QQKPYUSBWULSHD-WOJBJXKFSA-N 0 0 476.664 4.195 50 0 JIAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)cc2)C1 ZINC000016225880 524243024 /nfs/dbraw/zinc/24/30/24/524243024.db2.gz QQKPYUSBWULSHD-BGYRXZFFSA-N 0 0 476.664 4.195 50 0 JIAARN COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@@H](C)C2 ZINC000065003635 524249219 /nfs/dbraw/zinc/24/92/19/524249219.db2.gz RMUJAIDVWFBBCR-INIZCTEOSA-N 0 0 470.978 4.419 50 0 JIAARN 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524285049 /nfs/dbraw/zinc/28/50/49/524285049.db2.gz UWMOBFYZCUEQDP-UHFFFAOYSA-N 0 0 451.486 4.369 50 0 JIAARN COc1ccc(F)c(C[C@]2(CCC(=O)N3CCC[C@H](OCc4ccccc4)C3)CCC(=O)N2)c1 ZINC000012245688 524285292 /nfs/dbraw/zinc/28/52/92/524285292.db2.gz MHMCTGAXLKEQLR-WNCULLNHSA-N 0 0 468.569 4.014 50 0 JIAARN COc1ccc(F)c(C[C@]2(CCC(=O)N3CCC[C@@H](OCc4ccccc4)C3)CCC(=O)N2)c1 ZINC000012245686 524286418 /nfs/dbraw/zinc/28/64/18/524286418.db2.gz MHMCTGAXLKEQLR-YIXXDRMTSA-N 0 0 468.569 4.014 50 0 JIAARN COc1ccccc1-n1cnnc1SCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000008721352 524306325 /nfs/dbraw/zinc/30/63/25/524306325.db2.gz BUGUUHCXYVOIDK-GOSISDBHSA-N 0 0 487.585 4.498 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2cccnc2)Cc2ccc(Cl)cc2)c(C)c1 ZINC000006244645 524313473 /nfs/dbraw/zinc/31/34/73/524313473.db2.gz MLKFLHWRFCASSE-UHFFFAOYSA-N 0 0 472.010 4.168 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c(C)c1 ZINC000033273221 524316010 /nfs/dbraw/zinc/31/60/10/524316010.db2.gz PUHSPBPJLURSEI-UHFFFAOYSA-N 0 0 470.620 4.284 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@@H]3C(=O)NC3CCCCC3)c2)cc1C ZINC000021662677 524325293 /nfs/dbraw/zinc/32/52/93/524325293.db2.gz UKIIJKPOCGMPHB-XMMPIXPASA-N 0 0 497.661 4.466 50 0 JIAARN COc1ccccc1C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O ZINC000012371727 524357287 /nfs/dbraw/zinc/35/72/87/524357287.db2.gz KSZXLLSNBBIWPP-HSZRJFAPSA-N 0 0 459.468 4.305 50 0 JIAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)c2)cc1 ZINC000016307364 524357701 /nfs/dbraw/zinc/35/77/01/524357701.db2.gz YRGAOSYGNXRGCL-DEOSSOPVSA-N 0 0 490.585 4.374 50 0 JIAARN Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)N4CCOCC4)cc3)C2=O)c1 ZINC000020355170 524410263 /nfs/dbraw/zinc/41/02/63/524410263.db2.gz DEMLPOBTNWKNQE-NLRVBDNBSA-N 0 0 454.526 4.434 50 0 JIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C[C@H]2CCCO2)C(=O)C2CCCC2)o1 ZINC000033567235 524415674 /nfs/dbraw/zinc/41/56/74/524415674.db2.gz ILYIHWCJXUHNAX-XMMPIXPASA-N 0 0 452.595 4.357 50 0 JIAARN COc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000037525166 524419568 /nfs/dbraw/zinc/41/95/68/524419568.db2.gz ZZHJKXIWJHUUQU-UHFFFAOYSA-N 0 0 475.564 4.206 50 0 biogenic JIAARN COc1ccccc1CN(Cc1nc(C(=O)NCCc2ccccn2)co1)Cc1ccc(F)cc1 ZINC000036053815 524442062 /nfs/dbraw/zinc/44/20/62/524442062.db2.gz JPLGHSQGFGRAEN-UHFFFAOYSA-N 0 0 474.536 4.392 50 0 JIAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccc(OCc4nnc(-c5ccccc5)o4)cc3)CC2=O)cc1 ZINC000033308275 524443196 /nfs/dbraw/zinc/44/31/96/524443196.db2.gz OXFMQGGNISUFKK-IBGZPJMESA-N 0 0 484.512 4.316 50 0 JIAARN COc1ccccc1CN1C(=O)c2cc(-c3ccccc3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021853833 524444954 /nfs/dbraw/zinc/44/49/54/524444954.db2.gz SIIAEFXPSGSWGQ-LJAQVGFWSA-N 0 0 480.568 4.290 50 0 JIAARN COc1ccccc1CNC(=O)C1CCN(c2cc(C)nc3cc(-c4ccccc4)nn32)CC1 ZINC000033275090 524459542 /nfs/dbraw/zinc/45/95/42/524459542.db2.gz FXUFWDUTAACZOV-UHFFFAOYSA-N 0 0 455.562 4.246 50 0 JIAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccccc1 ZINC000021854116 524475404 /nfs/dbraw/zinc/47/54/04/524475404.db2.gz UWXXKFVLGIMUJI-GDLZYMKVSA-N 0 0 480.568 4.290 50 0 JIAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1OC ZINC000021858971 524475944 /nfs/dbraw/zinc/47/59/44/524475944.db2.gz DLELNEDKKIHMOX-GDLZYMKVSA-N 0 0 483.568 4.390 50 0 JIAARN Cc1cccc(Cl)c1NC(=O)Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O ZINC000067255462 524482324 /nfs/dbraw/zinc/48/23/24/524482324.db2.gz DDGXALKOWMZYAY-UHFFFAOYSA-N 0 0 474.373 4.437 50 0 JIAARN COc1ccccc1CNC(=O)c1ccc([C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000033063360 524483271 /nfs/dbraw/zinc/48/32/71/524483271.db2.gz GRRCBPJRHIFUNB-OAQYLSRUSA-N 0 0 491.491 4.047 50 0 JIAARN COc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1OC ZINC000009118334 524508458 /nfs/dbraw/zinc/50/84/58/524508458.db2.gz VOZHERGFNDHVDQ-UHFFFAOYSA-N 0 0 467.591 4.402 50 0 JIAARN COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O ZINC000067205467 524519005 /nfs/dbraw/zinc/51/90/05/524519005.db2.gz FGOCJXLQZWLTFB-UHFFFAOYSA-N 0 0 463.559 4.044 50 0 JIAARN COc1ccc(NC(=O)Cn2c3ccc(C)cc3c3ncn(Cc4ccccc4)c(=O)c32)cc1 ZINC000016841526 524526940 /nfs/dbraw/zinc/52/69/40/524526940.db2.gz UVFRNYNMYIPUOL-UHFFFAOYSA-N 0 0 452.514 4.355 50 0 JIAARN COc1ccccc1N1CCN(C(=O)CCc2nc(-c3ccc(N4CCCCC4)cc3)no2)CC1 ZINC000033283582 524543022 /nfs/dbraw/zinc/54/30/22/524543022.db2.gz SXXKSCFHVJLBMR-UHFFFAOYSA-N 0 0 475.593 4.017 50 0 JIAARN COc1ccccc1N1CCN(C(=O)CCCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013880359 524543229 /nfs/dbraw/zinc/54/32/29/524543229.db2.gz VBTRJNMSQFQLIO-YULRPQQCSA-N 0 0 467.654 4.235 50 0 JIAARN COc1ccccc1N1CCN(C(=O)CC2(CC(=O)NCc3cccs3)CCCC2)CC1 ZINC000009846835 524543388 /nfs/dbraw/zinc/54/33/88/524543388.db2.gz XLILQLWDGOEECB-UHFFFAOYSA-N 0 0 455.624 4.062 50 0 JIAARN Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000064972149 524543870 /nfs/dbraw/zinc/54/38/70/524543870.db2.gz CJUYPROOLBVZRS-QHCPKHFHSA-N 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C[C@@H](NC(=O)Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)c1ccccc1 ZINC000008610653 525143341 /nfs/dbraw/zinc/14/33/41/525143341.db2.gz HFETUEKAIAZYPQ-GOSISDBHSA-N 0 0 454.505 4.416 50 0 JIAARN COc1ccc([C@@H](C)NC(=O)c2ccc(CN3c4ccccc4C(=O)N4CCC[C@H]4C3=O)cc2)cc1 ZINC000035458271 525143360 /nfs/dbraw/zinc/14/33/60/525143360.db2.gz DFDIWMLCVXNNHW-BCHFMIIMSA-N 0 0 483.568 4.338 50 0 JIAARN C[C@@H]1CSc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2NC1=O ZINC000065078400 525180998 /nfs/dbraw/zinc/18/09/98/525180998.db2.gz JCTMKUFEQZVDKP-GFCCVEGCSA-N 0 0 488.509 4.068 50 0 JIAARN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000036398228 525188172 /nfs/dbraw/zinc/18/81/72/525188172.db2.gz HBSHHBQCRQSISI-UHFFFAOYSA-N 0 0 464.547 4.213 50 0 JIAARN Cc1ccccc1C[C@@H](C1CCN(C(=O)/C=C/c2ccccc2)CC1)N(C)C(=O)Cn1cccn1 ZINC000014975545 525191844 /nfs/dbraw/zinc/19/18/44/525191844.db2.gz UMJKLRRXAZLHDU-DEIPZHPTSA-N 0 0 470.617 4.213 50 0 JIAARN Cc1ccc(NC(=O)[C@@H](C)Sc2cc(C)c3cc(S(=O)(=O)N4CCOCC4)ccc3n2)cc1C ZINC000033087721 525195645 /nfs/dbraw/zinc/19/56/45/525195645.db2.gz MWAUOFBQZXZUGC-LJQANCHMSA-N 0 0 499.658 4.300 50 0 JIAARN C[C@]1(C(=O)NC2CCCC2)Cn2c3ccccc3c(-n3cccc3)c2C(=O)N1Cc1cccnc1 ZINC000021868670 525197232 /nfs/dbraw/zinc/19/72/32/525197232.db2.gz HDHWUAYCYZRAFG-MUUNZHRXSA-N 0 0 467.573 4.301 50 0 JIAARN Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)cc1Cl ZINC000033276228 525211463 /nfs/dbraw/zinc/21/14/63/525211463.db2.gz MLXSLRHAUHCVQE-AWEZNQCLSA-N 0 0 474.970 4.190 50 0 JIAARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)C2)cc1 ZINC000008610806 525220831 /nfs/dbraw/zinc/22/08/31/525220831.db2.gz WWGNYOYLJRKRNX-NRFANRHFSA-N 0 0 453.546 4.462 50 0 JIAARN C[C@H](NC(=O)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)c1)c1ccc(F)cc1 ZINC000035458744 525228437 /nfs/dbraw/zinc/22/84/37/525228437.db2.gz GRJHXYMOKIAELB-AVRWGWEMSA-N 0 0 471.532 4.468 50 0 JIAARN Cc1ccccc1NC(=O)CSc1nnc(CCNC(=O)c2ccc(Cl)c(Cl)c2)n1C ZINC000016448753 525242261 /nfs/dbraw/zinc/24/22/61/525242261.db2.gz HOJRIKOUAHKLDX-UHFFFAOYSA-N 0 0 478.405 4.134 50 0 JIAARN Cc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)c2)c(C)c1 ZINC000064999917 525243040 /nfs/dbraw/zinc/24/30/40/525243040.db2.gz MDGXDRPYAWWINZ-UHFFFAOYSA-N 0 0 456.589 4.305 50 0 JIAARN Cc1ccccc1NC(=O)N(C)CCc1noc(-c2ccc(C(=O)NCc3ccco3)cc2)n1 ZINC000033128779 525246226 /nfs/dbraw/zinc/24/62/26/525246226.db2.gz SCRWYBNQLUJEOK-UHFFFAOYSA-N 0 0 459.506 4.274 50 0 JIAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)COc4ccc(F)cc4)C3)s2)cc1 ZINC000046123126 525260960 /nfs/dbraw/zinc/26/09/60/525260960.db2.gz BXTAIMKMWFQFNK-MRXNPFEDSA-N 0 0 454.527 4.023 50 0 JIAARN Cc1ccc(NC(Nc2ccc(C)cc2)=C(NC(=O)c2ccccc2)C(=O)N2CCOCC2)cc1 ZINC000041154961 525266742 /nfs/dbraw/zinc/26/67/42/525266742.db2.gz ZEPHOATWITYVEL-UHFFFAOYSA-N 0 0 470.573 4.285 50 0 JIAARN COc1ccc([C@@H]2OC(=O)N(CCc3ccc(OC)c(OC)c3)[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000012420537 525268553 /nfs/dbraw/zinc/26/85/53/525268553.db2.gz XVVHYBQRCLKVCZ-BDYUSTAISA-N 0 0 479.529 4.302 50 0 JIAARN COc1ccc([C@@H]2[C@@H](C(=O)NC3CCCCC3)CCC(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000004759585 525270709 /nfs/dbraw/zinc/27/07/09/525270709.db2.gz NOHQAQFXEHGHRJ-SQJMNOBHSA-N 0 0 450.535 4.357 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](CC(=O)N2CCCC2)CS3)cc1Cl ZINC000033290358 525304923 /nfs/dbraw/zinc/30/49/23/525304923.db2.gz UDMVBWOQPQWMQI-HNNXBMFYSA-N 0 0 494.038 4.122 50 0 JIAARN Cc1ccccc1OC[C@@H](O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000033320878 525310729 /nfs/dbraw/zinc/31/07/29/525310729.db2.gz GOLNSFYKUMDWRM-GOTSBHOMSA-N 0 0 455.558 4.301 50 0 JIAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)NCCSc2ccc(Cl)cc2)C1=O ZINC000014115223 525321672 /nfs/dbraw/zinc/32/16/72/525321672.db2.gz XFYVGRCZZIQIOM-XMMPIXPASA-N 0 0 467.978 4.169 50 0 JIAARN Cc1ccccc1Oc1nccnc1N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000033142016 525325187 /nfs/dbraw/zinc/32/51/87/525325187.db2.gz YRHXVKGRJJDSBN-UHFFFAOYSA-N 0 0 457.578 4.143 50 0 JIAARN Cc1cc(O)c([C@@H](c2cccc(Cl)c2)N2CCN(c3ccccn3)CC2)c(=O)n1Cc1ccco1 ZINC000022698202 525326541 /nfs/dbraw/zinc/32/65/41/525326541.db2.gz SESJYNRZVIUINC-AREMUKBSSA-N 0 0 490.991 4.464 50 0 JIAARN Cc1ccccc1S(=O)(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000064930999 525329629 /nfs/dbraw/zinc/32/96/29/525329629.db2.gz RHVBKXRJUGJIRQ-INIZCTEOSA-N 0 0 462.984 4.278 50 0 JIAARN Cc1ccccc1S(=O)(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000046123899 525330755 /nfs/dbraw/zinc/33/07/55/525330755.db2.gz BARSTWAQOFYOPH-HNNXBMFYSA-N 0 0 477.011 4.321 50 0 JIAARN COc1ccc([C@H](CNC(=O)c2cc3c(s2)-c2ccccc2OC3)N2CCOCC2)cc1 ZINC000018020425 525358840 /nfs/dbraw/zinc/35/88/40/525358840.db2.gz QUNJNQHUQOEISU-NRFANRHFSA-N 0 0 450.560 4.119 50 0 JIAARN COc1ccc([C@H](NC(=O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccccc2)cc1 ZINC000008770844 525366360 /nfs/dbraw/zinc/36/63/60/525366360.db2.gz QEVXVLUAJKMGNX-RUZDIDTESA-N 0 0 484.522 4.137 50 0 JIAARN COc1ccc([C@H]2OC(=O)N(CCc3ccc(OC)c(OC)c3)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000012420531 525432292 /nfs/dbraw/zinc/43/22/92/525432292.db2.gz XVVHYBQRCLKVCZ-XNMGPUDCSA-N 0 0 479.529 4.302 50 0 JIAARN COc1ccc([C@H]2OCCn3c(-c4ccc(Cl)cc4Cl)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000013682006 525432679 /nfs/dbraw/zinc/43/26/79/525432679.db2.gz YVKDYHCPUQIRII-JOCHJYFZSA-N 0 0 486.355 4.141 50 0 JIAARN Cc1cc(SCC(=O)Nc2cccc(Br)c2)nc2ccc(S(=O)(=O)N(C)C)cc12 ZINC000033087799 525433934 /nfs/dbraw/zinc/43/39/34/525433934.db2.gz UBVVRPHAOPCRNI-UHFFFAOYSA-N 0 0 494.436 4.287 50 0 JIAARN COc1ccc([C@H]2[C@H](C(=O)NCc3ccccc3OC)CCC(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000004759710 525435951 /nfs/dbraw/zinc/43/59/51/525435951.db2.gz ZVOPTCCLQNVHKC-AMGIVPHBSA-N 0 0 488.540 4.233 50 0 JIAARN Cc1ccc(OCc2nc(C(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)cs2)cc1 ZINC000018127901 525447153 /nfs/dbraw/zinc/44/71/53/525447153.db2.gz LLLVEOGHXKLZBJ-UHFFFAOYSA-N 0 0 478.618 4.044 50 0 JIAARN Cc1ccccc1[C@]1(CC(=O)N2CCCC[C@@H]2c2nccn2C)CC(=O)N(Cc2ccccc2)C1=O ZINC000014982351 525448752 /nfs/dbraw/zinc/44/87/52/525448752.db2.gz YNZZSBKUFMTVCH-GIGWZHCTSA-N 0 0 484.600 4.069 50 0 JIAARN Cc1c(-c2ccccc2)sc(NC(=O)Cn2ccc(C(F)(F)F)n2)c1C(=O)N1CCOCC1 ZINC000023651709 525509066 /nfs/dbraw/zinc/50/90/66/525509066.db2.gz NFGZWYLSJYYXQP-UHFFFAOYSA-N 0 0 478.496 4.050 50 0 JIAARN Cc1c(-c2cnn(C)c2C)nn(-c2nc(C3CC3)cc(C(F)(F)F)n2)c1-c1cnn(C)c1C ZINC000013643492 525510236 /nfs/dbraw/zinc/51/02/36/525510236.db2.gz BORNYDMSLKGESU-UHFFFAOYSA-N 0 0 456.476 4.285 50 0 JIAARN CSCC[C@@H](C(=O)Nc1ccc2nc(SC)sc2c1)N1C(=O)c2ccccc2C1=O ZINC000002617791 525520374 /nfs/dbraw/zinc/52/03/74/525520374.db2.gz JVHQDXIVLZRBIT-INIZCTEOSA-N 0 0 457.602 4.375 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000064941000 525532726 /nfs/dbraw/zinc/53/27/26/525532726.db2.gz PALPURBRJZCDNV-QGZVFWFLSA-N 0 0 462.984 4.278 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(F)c(C)c4)ccc32)cc1 ZINC000008608741 525536841 /nfs/dbraw/zinc/53/68/41/525536841.db2.gz TWOIAMTXBYYFFM-UHFFFAOYSA-N 0 0 474.579 4.385 50 0 aggregator JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1C ZINC000064931067 525536861 /nfs/dbraw/zinc/53/68/61/525536861.db2.gz YRZKZTZVKCOENI-SFHVURJKSA-N 0 0 460.556 4.072 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4cccnc4n3-c3cc(C)cc(C)c3)CC2)c(C)c1 ZINC000033139393 525544421 /nfs/dbraw/zinc/54/44/21/525544421.db2.gz BVZDSVKFRKXQSV-UHFFFAOYSA-N 0 0 489.645 4.161 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)C[C@H](C)c4ccccc4)sc3C2)cc1 ZINC000021654589 525554330 /nfs/dbraw/zinc/55/43/30/525554330.db2.gz WGABGHHTBCXBGO-KRWDZBQOSA-N 0 0 455.605 4.331 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3c(F)cccc3F)Oc3ccc(C)cc32)cc1 ZINC000064985926 525557121 /nfs/dbraw/zinc/55/71/21/525557121.db2.gz PONGBTRPBMIKLK-OAQYLSRUSA-N 0 0 458.486 4.177 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3Cl)Oc3cc(C)ccc32)cc1 ZINC000064986058 525557209 /nfs/dbraw/zinc/55/72/09/525557209.db2.gz WCBUGMQVHVFFCI-HSZRJFAPSA-N 0 0 470.978 4.230 50 0 JIAARN Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000016045433 525563062 /nfs/dbraw/zinc/56/30/62/525563062.db2.gz YVADMAJCFFBECV-OAQYLSRUSA-N 0 0 482.005 4.356 50 0 JIAARN Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000014113555 525566323 /nfs/dbraw/zinc/56/63/23/525566323.db2.gz IHFGFBOFEFROHT-UHFFFAOYSA-N 0 0 477.380 4.002 50 0 JIAARN Cc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12 ZINC000004057709 525583996 /nfs/dbraw/zinc/58/39/96/525583996.db2.gz QNPLLKOTGSWYOX-UHFFFAOYSA-N 0 0 498.656 4.289 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c(C)cc(=O)oc3c2C)c2ccccc2)cc1 ZINC000002150079 525587831 /nfs/dbraw/zinc/58/78/31/525587831.db2.gz MGPONLWVSKOZGE-DEOSSOPVSA-N 0 0 477.538 4.343 50 0 biogenic JIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)C1CC1)C(=O)N2Cc1cccc(C(F)(F)F)c1 ZINC000036166501 525593267 /nfs/dbraw/zinc/59/32/67/525593267.db2.gz SAIUJGBUOSXMSD-QFIPXVFZSA-N 0 0 462.493 4.399 50 0 JIAARN Cc1ccn(CCC(=O)N2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3ccoc3C)CC2)n1 ZINC000014969584 525600639 /nfs/dbraw/zinc/60/06/39/525600639.db2.gz CHDQQEOTOTXKRN-VWLOTQADSA-N 0 0 462.594 4.105 50 0 JIAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)Nc4ccc5c(c4)OCCO5)ccc3C)nc2c1 ZINC000033068105 525607109 /nfs/dbraw/zinc/60/71/09/525607109.db2.gz UTQUFYBDVWSECA-UHFFFAOYSA-N 0 0 472.501 4.306 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(Sc3ccc(C(=O)NC[C@@H]4CCCO4)cn3)cc2)cc1 ZINC000033138277 525608759 /nfs/dbraw/zinc/60/87/59/525608759.db2.gz VSNFRQPHDHQCFA-FQEVSTJZSA-N 0 0 483.615 4.251 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(Sc3ccc(C(=O)NC[C@H]4CCCO4)cn3)cc2)cc1 ZINC000033138279 525610614 /nfs/dbraw/zinc/61/06/14/525610614.db2.gz VSNFRQPHDHQCFA-HXUWFJFHSA-N 0 0 483.615 4.251 50 0 JIAARN Cc1c(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)sc2nc(C3CC3)nc(C)c12 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ZINC000001460875 553975294 /nfs/dbraw/zinc/97/52/94/553975294.db2.gz WNVXJFMQFHADDP-JLBUNGTFSA-N 0 0 476.367 4.014 50 0 JIAARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC1CCCCCC1)[C@H]2c1ccc(OC)c(O)c1 ZINC000001460860 553975310 /nfs/dbraw/zinc/97/53/10/553975310.db2.gz VMPFYXZSYACLCX-NFKSOIJDSA-N 0 0 497.588 4.280 50 0 JIAARN COc1ccccc1N(CC(=O)NCCSc1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000002059715 554016428 /nfs/dbraw/zinc/01/64/28/554016428.db2.gz GDDWCTZYXLKLHO-UHFFFAOYSA-N 0 0 470.616 4.107 50 0 JIAARN COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002064832 554019716 /nfs/dbraw/zinc/01/97/16/554019716.db2.gz IQOUCPZPCAWUJA-FQEVSTJZSA-N 0 0 452.576 4.385 50 0 JIAARN Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)cc1 ZINC000002068048 554020842 /nfs/dbraw/zinc/02/08/42/554020842.db2.gz BGMNLSLBNPVETQ-UHFFFAOYSA-N 0 0 468.025 4.247 50 0 JIAARN COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1 ZINC000002078149 554025050 /nfs/dbraw/zinc/02/50/50/554025050.db2.gz DKOVIQGHZJNUQZ-OLJONYEBSA-N 0 0 488.337 4.376 50 0 JIAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CC)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002094454 554038443 /nfs/dbraw/zinc/03/84/43/554038443.db2.gz ITVRYVUXKOZPMU-FQEVSTJZSA-N 0 0 457.548 4.025 50 0 biogenic JIAARN CCCCOCCCN1CC(=O)N2[C@H](c3cccc(C)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002098573 554041695 /nfs/dbraw/zinc/04/16/95/554041695.db2.gz PQCSDZNPLXXHRQ-RPLLCQBOSA-N 0 0 459.590 4.368 50 0 biogenic JIAARN COCCCN1CC(=O)N2[C@H](c3cccc4ccccc43)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002102696 554043247 /nfs/dbraw/zinc/04/32/47/554043247.db2.gz SBOCFHNBKTUFEA-RPLLCQBOSA-N 0 0 453.542 4.043 50 0 biogenic JIAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3ccc(F)cc3)CC(=O)N21 ZINC000002108526 554048513 /nfs/dbraw/zinc/04/85/13/554048513.db2.gz RHVWBFNMFCNXLA-CUBQBAPOSA-N 0 0 483.543 4.243 50 0 biogenic JIAARN Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)N3CCC(C(N)=O)CC3)c(=O)oc12 ZINC000002115702 554053080 /nfs/dbraw/zinc/05/30/80/554053080.db2.gz LAUARWGOJWNJGV-UHFFFAOYSA-N 0 0 458.514 4.089 50 0 biogenic JIAARN Cc1oc2cc3oc(=O)c(CC(=O)N4CCC(C(N)=O)CC4)c(C)c3cc2c1-c1ccccc1 ZINC000002119549 554054788 /nfs/dbraw/zinc/05/47/88/554054788.db2.gz KOOVZBOUJVHKMC-UHFFFAOYSA-N 0 0 458.514 4.089 50 0 biogenic JIAARN COC(=O)c1ccc(C(=O)OC)c(NCc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)c1 ZINC000002123054 554056805 /nfs/dbraw/zinc/05/68/05/554056805.db2.gz UDGGAUIMZJSEMH-UHFFFAOYSA-N 0 0 459.454 4.351 50 0 biogenic JIAARN CC(=O)Oc1cc(OC(C)=O)c2c(c1)occ(Oc1ccc(I)cc1)c2=O ZINC000002132369 554060616 /nfs/dbraw/zinc/06/06/16/554060616.db2.gz NSQPRNQSAUSOJN-UHFFFAOYSA-N 0 0 480.210 4.041 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2cc(C)cc3oc(=O)c(C)c(C)c23)cc1 ZINC000002148605 554067894 /nfs/dbraw/zinc/06/78/94/554067894.db2.gz IDWKCQAWHRXNBN-UHFFFAOYSA-N 0 0 471.575 4.471 50 0 biogenic JIAARN CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000002149834 554069002 /nfs/dbraw/zinc/06/90/02/554069002.db2.gz BAEOJOGMJJXJAN-NRFANRHFSA-N 0 0 471.575 4.469 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Oc2ccc3c(C)cc(=O)oc3c2C)c2ccccc2)cc1 ZINC000002150082 554069041 /nfs/dbraw/zinc/06/90/41/554069041.db2.gz MGPONLWVSKOZGE-XMMPIXPASA-N 0 0 477.538 4.343 50 0 biogenic JIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000002153253 554071133 /nfs/dbraw/zinc/07/11/33/554071133.db2.gz FEFHHZNUZXOYNM-XMMPIXPASA-N 0 0 469.493 4.376 50 0 biogenic JIAARN COCCNC(=O)Cn1cc(/C=C2\S/C(=N\c3cccc(C)c3C)N(C)C2=O)c2ccccc21 ZINC000002175901 554077272 /nfs/dbraw/zinc/07/72/72/554077272.db2.gz ZNFAEUVCUVQQSR-GWISFZTMSA-N 0 0 476.602 4.255 50 0 JIAARN CCCOc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 ZINC000002186937 554083518 /nfs/dbraw/zinc/08/35/18/554083518.db2.gz ZBQJXBWTLOJEKV-GOSISDBHSA-N 0 0 477.380 4.242 50 0 JIAARN CCN(CC)C(=O)CN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)C1=O ZINC000002190896 554085792 /nfs/dbraw/zinc/08/57/92/554085792.db2.gz VXTSETFOPJGAAP-MHZLTWQESA-N 0 0 488.975 4.480 50 0 JIAARN Cc1cc(C)c2oc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)cc(=O)c2c1 ZINC000002226676 554103479 /nfs/dbraw/zinc/10/34/79/554103479.db2.gz BYXZFFGZRPCQTA-HNNXBMFYSA-N 0 0 466.559 4.121 50 0 JIAARN CCCc1cc(=O)oc2cc(OC(=O)[C@H](CC)NS(=O)(=O)c3ccc(C)cc3)c(Cl)cc12 ZINC000002245153 554110820 /nfs/dbraw/zinc/11/08/20/554110820.db2.gz VIDGEMJXQBIYMP-IBGZPJMESA-N 0 0 477.966 4.370 50 0 JIAARN COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3S[C@@H](C)C(=O)N32)ccc1OC(C)=O ZINC000002249031 554113226 /nfs/dbraw/zinc/11/32/26/554113226.db2.gz AAQUPCITWPKODD-NYHFZMIOSA-N 0 0 480.542 4.013 50 0 JIAARN Nc1c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 ZINC000002282001 554131370 /nfs/dbraw/zinc/13/13/70/554131370.db2.gz GKEAAIQVEMAQDY-UHFFFAOYSA-N 0 0 471.904 4.468 50 0 JIAARN COc1ccc(CNC(=O)c2c(N)n(-c3ccc(OC)c(OC)c3)c3nc4ccccc4nc32)cc1 ZINC000002290443 554134681 /nfs/dbraw/zinc/13/46/81/554134681.db2.gz YMVRTRUPUSCGQJ-UHFFFAOYSA-N 0 0 483.528 4.112 50 0 JIAARN COc1ccc(CCNC(=O)c2c(N)n(Cc3ccc(OC)cc3)c3nc4ccccc4nc32)cc1 ZINC000002291418 554135653 /nfs/dbraw/zinc/13/56/53/554135653.db2.gz YPWPGYZBGNFSTA-UHFFFAOYSA-N 0 0 481.556 4.205 50 0 JIAARN COCCCNC(=O)c1c2nc3ccccc3nc2n(Cc2ccccc2)c1NC(=O)c1ccco1 ZINC000002302797 554140534 /nfs/dbraw/zinc/14/05/34/554140534.db2.gz DHDVVMIYKAPBOC-UHFFFAOYSA-N 0 0 483.528 4.244 50 0 JIAARN O=C(NCCCn1ccnc1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000002304019 554140825 /nfs/dbraw/zinc/14/08/25/554140825.db2.gz CTVCDRYSQSHLME-UHFFFAOYSA-N 0 0 499.316 4.256 50 0 JIAARN COc1ccccc1-c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)n(C)c2ccccc2c1=O ZINC000002327194 554149724 /nfs/dbraw/zinc/14/97/24/554149724.db2.gz DNWLZGFTJHOIQL-UHFFFAOYSA-N 0 0 474.513 4.492 50 0 JIAARN CCCSc1nc2sc3c(c2c2nnc(SCC(=O)OCC)n21)CC(C)(C)OC3 ZINC000002361170 554165938 /nfs/dbraw/zinc/16/59/38/554165938.db2.gz DCSASKXKKVSZTJ-UHFFFAOYSA-N 0 0 452.627 4.348 50 0 JIAARN CSCC[C@@H](c1nc2c3c4c(sc3ncn2n1)CCCC4)N1C(=O)c2ccccc2C1=O ZINC000002363772 554166826 /nfs/dbraw/zinc/16/68/26/554166826.db2.gz PTQUSVUZSKUCLM-INIZCTEOSA-N 0 0 463.588 4.308 50 0 JIAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(Br)cc2)CCO1 ZINC000002369134 554169366 /nfs/dbraw/zinc/16/93/66/554169366.db2.gz LAEZQJWZUHSRKV-BBRMVZONSA-N 0 0 452.374 4.256 50 0 JIAARN Nn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1ccco1 ZINC000002372063 554171303 /nfs/dbraw/zinc/17/13/03/554171303.db2.gz PFWLGTMMZAOBBM-UHFFFAOYSA-N 0 0 451.352 4.020 50 0 JIAARN COC(=O)c1c(N[C@](NC(=O)Cc2ccccc2)(C(=O)OC)C(F)(F)F)sc2c1CCCCC2 ZINC000002374058 554172554 /nfs/dbraw/zinc/17/25/54/554172554.db2.gz NBUFFNIRFBQALV-JOCHJYFZSA-N 0 0 498.523 4.006 50 0 JIAARN COc1ccc(CN(C(=O)/C=C/c2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000002378196 554174744 /nfs/dbraw/zinc/17/47/44/554174744.db2.gz CBQIQHMHUBFBBE-QKYXPGDISA-N 0 0 454.375 4.231 50 0 JIAARN Cc1ccccc1-c1nc2s/c(=C3\c4ccccc4N(Cc4ccccc4Cl)C3=O)c(=O)n2n1 ZINC000002382741 554176135 /nfs/dbraw/zinc/17/61/35/554176135.db2.gz MXUAZBKTIAABJE-QURGRASLSA-N 0 0 484.968 4.245 50 0 JIAARN COc1cc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)cc(OC)c1 ZINC000002395538 554182262 /nfs/dbraw/zinc/18/22/62/554182262.db2.gz ISZMJCHEDFBMHF-UHFFFAOYSA-N 0 0 485.587 4.464 50 0 JIAARN Cc1cc(C)n(-c2nc3sc4c(c3c(SCC(=O)NCc3ccco3)n2)CC(C)(C)OC4)n1 ZINC000002395390 554182272 /nfs/dbraw/zinc/18/22/72/554182272.db2.gz BKGLFNKRGDPARK-UHFFFAOYSA-N 0 0 483.619 4.347 50 0 JIAARN O=C(CSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)CCCC3)NCCc1ccccc1 ZINC000002395932 554182582 /nfs/dbraw/zinc/18/25/82/554182582.db2.gz ZGJPAVMNXNTVTB-UHFFFAOYSA-N 0 0 470.598 4.111 50 0 JIAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000002395696 554182605 /nfs/dbraw/zinc/18/26/05/554182605.db2.gz QUXMHXOLFPBNSU-DOTOQJQBSA-N 0 0 456.391 4.285 50 0 JIAARN CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000002396363 554183156 /nfs/dbraw/zinc/18/31/56/554183156.db2.gz SWXFVJXZQQWOSF-UHFFFAOYSA-N 0 0 486.532 4.460 50 0 JIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002406862 554189154 /nfs/dbraw/zinc/18/91/54/554189154.db2.gz DOSMOIIBBHTCPF-KRWDZBQOSA-N 0 0 452.875 4.439 50 0 JIAARN Cc1ccc(S(=O)(=O)c2c(N)n(-c3ccc4c(c3)OCCO4)c3nc4ccccc4nc32)cc1 ZINC000002423756 554199810 /nfs/dbraw/zinc/19/98/10/554199810.db2.gz YULGVMNZFWWCHL-UHFFFAOYSA-N 0 0 472.526 4.068 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccco2)c(OC)c1 ZINC000002446460 554213540 /nfs/dbraw/zinc/21/35/40/554213540.db2.gz AOZSSIRZUAEZHF-UHFFFAOYSA-N 0 0 468.510 4.474 50 0 JIAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCCC4)cc2)CSC3)c(C)c1 ZINC000002476124 554225477 /nfs/dbraw/zinc/22/54/77/554225477.db2.gz GAKPQWOOHXHXEZ-UHFFFAOYSA-N 0 0 482.631 4.273 50 0 JIAARN O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1)N1CCCCCC1 ZINC000002484308 554226424 /nfs/dbraw/zinc/22/64/24/554226424.db2.gz FLSWHNWEQOMPKU-UHFFFAOYSA-N 0 0 476.664 4.483 50 0 JIAARN COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000002487031 554226783 /nfs/dbraw/zinc/22/67/83/554226783.db2.gz ILFVRCNOSVMPSZ-DEOSSOPVSA-N 0 0 496.585 4.114 50 0 JIAARN CCCCOc1ccc(-c2nc3s/c(=C\c4cccc(Br)c4)c(=O)n3n2)cc1 ZINC000002533837 554233532 /nfs/dbraw/zinc/23/35/32/554233532.db2.gz RRSGFWLTFXKRKO-AQTBWJFISA-N 0 0 456.365 4.307 50 0 JIAARN O=C(CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000002601805 554240178 /nfs/dbraw/zinc/24/01/78/554240178.db2.gz MCGDAEGYHODHLL-QGZVFWFLSA-N 0 0 493.006 4.215 50 0 JIAARN CSCC[C@H](C(=O)Nc1ccc2nc(SC)sc2c1)N1C(=O)c2ccccc2C1=O ZINC000002617792 554242165 /nfs/dbraw/zinc/24/21/65/554242165.db2.gz JVHQDXIVLZRBIT-MRXNPFEDSA-N 0 0 457.602 4.375 50 0 JIAARN COc1ccc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)cc1F ZINC000002618436 554242716 /nfs/dbraw/zinc/24/27/16/554242716.db2.gz BDIZBCFETKVLNU-UHFFFAOYSA-N 0 0 463.556 4.351 50 0 JIAARN Cc1ccccc1OCCSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 ZINC000002618560 554243047 /nfs/dbraw/zinc/24/30/47/554243047.db2.gz QMUCJZRKYRNHIG-UHFFFAOYSA-N 0 0 459.593 4.391 50 0 JIAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccccc1C(F)(F)F ZINC000002622032 554246660 /nfs/dbraw/zinc/24/66/60/554246660.db2.gz RAXYJQQQWBPGEE-UHFFFAOYSA-N 0 0 453.420 4.140 50 0 JIAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000002624101 554248234 /nfs/dbraw/zinc/24/82/34/554248234.db2.gz ZWMQMBSDSPDSTR-UHFFFAOYSA-N 0 0 474.498 4.123 50 0 JIAARN Cc1cccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000002625383 554249260 /nfs/dbraw/zinc/24/92/60/554249260.db2.gz VNYVTCVDSCXIOC-UHFFFAOYSA-N 0 0 459.527 4.196 50 0 JIAARN CCOc1ccccc1N1CCN(Cc2nc(=O)c3c(-c4cccs4)csc3[nH]2)CC1 ZINC000002627111 554250433 /nfs/dbraw/zinc/25/04/33/554250433.db2.gz MBXJODCXKSLUEI-UHFFFAOYSA-N 0 0 452.605 4.434 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000002628474 554251545 /nfs/dbraw/zinc/25/15/45/554251545.db2.gz MPQCYRHOUDPLQK-UHFFFAOYSA-N 0 0 467.330 4.128 50 0 JIAARN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002635711 554256309 /nfs/dbraw/zinc/25/63/09/554256309.db2.gz JBTBKZGBNMRJQP-SFHVURJKSA-N 0 0 474.838 4.434 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4sc(-c5ccccc5)cc43)CC2)cc1 ZINC000002636541 554256917 /nfs/dbraw/zinc/25/69/17/554256917.db2.gz MPGFZFUEXXGTDC-UHFFFAOYSA-N 0 0 450.589 4.178 50 0 JIAARN Cc1ccc(-n2c(SC[C@H]3NS(=O)(=O)N=C4CCCCCN43)nnc2-c2ccccc2)cc1C ZINC000002639173 554258869 /nfs/dbraw/zinc/25/88/69/554258869.db2.gz AJWHUVRKFOSYHX-QFIPXVFZSA-N 0 0 496.662 4.092 50 0 JIAARN COc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1S(=O)(=O)N1CCCC1 ZINC000002639196 554258911 /nfs/dbraw/zinc/25/89/11/554258911.db2.gz MXCKIVBPLMBPNG-UHFFFAOYSA-N 0 0 491.565 4.091 50 0 JIAARN CCC[C@@H](CNC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1Cl ZINC000002640891 554260348 /nfs/dbraw/zinc/26/03/48/554260348.db2.gz LPEVPBINNKAHCU-HNNXBMFYSA-N 0 0 490.387 4.406 50 0 JIAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc3c4ccccc4n(C)c3s2)c(=O)n(-c2ccccc2)n1C ZINC000002644625 554262431 /nfs/dbraw/zinc/26/24/31/554262431.db2.gz SMXDYHNHMSPPHN-INIZCTEOSA-N 0 0 488.569 4.375 50 0 JIAARN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCc1ccco1 ZINC000002652996 554268740 /nfs/dbraw/zinc/26/87/40/554268740.db2.gz SQDUASKTYLNFAE-UHFFFAOYSA-N 0 0 476.860 4.052 50 0 JIAARN CCCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1 ZINC000002656625 554271773 /nfs/dbraw/zinc/27/17/73/554271773.db2.gz NZFCBDUTZFPGNW-MRXNPFEDSA-N 0 0 462.523 4.445 50 0 JIAARN COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000002664273 554277118 /nfs/dbraw/zinc/27/71/18/554277118.db2.gz PTLCYBGIWMKTAV-HSZRJFAPSA-N 0 0 464.587 4.323 50 0 JIAARN Cc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCc2ccccc2)=C(C)N=3)cc1 ZINC000002671602 554279574 /nfs/dbraw/zinc/27/95/74/554279574.db2.gz ZWTVUJRERMGXCL-DLBLZJNESA-N 0 0 486.618 4.349 50 0 JIAARN Cc1ccc(C)c(Cn2c3ccsc3c(=O)n(CCC(=O)NCCc3ccc(Cl)cc3)c2=O)c1 ZINC000002687660 554283726 /nfs/dbraw/zinc/28/37/26/554283726.db2.gz VDKGWDJECMSNPT-UHFFFAOYSA-N 0 0 496.032 4.292 50 0 JIAARN CCOc1ccc(S(=O)(=O)c2cn(Cc3cccc(OC)c3)c3ccc(OC)cc3c2=O)cc1 ZINC000002687982 554283845 /nfs/dbraw/zinc/28/38/45/554283845.db2.gz OBPVMDSWYBDJRU-UHFFFAOYSA-N 0 0 479.554 4.299 50 0 JIAARN CCOc1ccc(S(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccc(OC)cc3c2=O)cc1 ZINC000002687971 554283863 /nfs/dbraw/zinc/28/38/63/554283863.db2.gz RWWGPKHWXCEYGL-UHFFFAOYSA-N 0 0 467.518 4.429 50 0 JIAARN O=S(=O)(c1nnn2c1nc(NCCc1c[nH]c3ccccc13)c1ccccc12)c1ccccc1 ZINC000002690434 554285683 /nfs/dbraw/zinc/28/56/83/554285683.db2.gz AQCKAIMMKKHJRP-UHFFFAOYSA-N 0 0 468.542 4.246 50 0 JIAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(F)c(F)c1)cc(C(=O)c1ccc(C)cc1)c2=O ZINC000002690800 554286224 /nfs/dbraw/zinc/28/62/24/554286224.db2.gz GMHNYEIOKZYBLC-UHFFFAOYSA-N 0 0 492.478 4.475 50 0 JIAARN CCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(OC)cc1)cn2CC(=O)Nc1ccc(F)cc1 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/nfs/dbraw/zinc/65/72/02/554657202.db2.gz CMLNNOQQIDKATL-UHFFFAOYSA-N 0 0 485.418 4.055 50 0 JIAARN NS(=O)(=O)c1ccc(CNC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000008755663 554657806 /nfs/dbraw/zinc/65/78/06/554657806.db2.gz FMWNKMQHMYGEKH-UHFFFAOYSA-N 0 0 479.583 4.065 50 0 JIAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)Nc1ccc2oc(=O)ccc2c1 ZINC000008764694 554665329 /nfs/dbraw/zinc/66/53/29/554665329.db2.gz CSXUFHWDNNCPNU-UHFFFAOYSA-N 0 0 455.422 4.290 50 0 biogenic JIAARN O=C([C@@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1)N1CCC(O)CC1 ZINC000008766681 554667041 /nfs/dbraw/zinc/66/70/41/554667041.db2.gz RLODMBPUCVQTSM-GOSISDBHSA-N 0 0 465.981 4.048 50 0 JIAARN C[C@@]12c3[nH]c4ccccc4c3[C@@H](c3ccc(Cl)cc3)CN1C(=O)CN(C[C@H]1CCCO1)C2=O ZINC000008789063 554681091 /nfs/dbraw/zinc/68/10/91/554681091.db2.gz XYXJTNSYGYMHIB-DZTNWFRXSA-N 0 0 463.965 4.032 50 0 biogenic JIAARN COc1cc2c(c(OC)c1OC)-c1ccc(N(C)Cc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000008789161 554681427 /nfs/dbraw/zinc/68/14/27/554681427.db2.gz MJAHYIBWSVPYEK-QHCPKHFHSA-N 0 0 488.584 4.499 50 0 biogenic JIAARN CCCOc1ccc([C@H]2CN3C(=O)CN(CCC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000008789165 554681486 /nfs/dbraw/zinc/68/14/86/554681486.db2.gz LDLLQQPQLQFWIF-NGOKVRLYSA-N 0 0 475.589 4.407 50 0 biogenic JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000008809439 554688236 /nfs/dbraw/zinc/68/82/36/554688236.db2.gz LEPGWNGCYOPONF-YRHDEOCCSA-N 0 0 464.974 4.117 50 0 JIAARN CCN(CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCCCC1)S2)c1ccccc1 ZINC000008812866 554694854 /nfs/dbraw/zinc/69/48/54/554694854.db2.gz YRVSTTNSPZXHHV-RUZDIDTESA-N 0 0 452.624 4.189 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000008818901 554702831 /nfs/dbraw/zinc/70/28/31/554702831.db2.gz PVASRHSLXRHXLP-BUDOKORBSA-N 0 0 491.371 4.244 50 0 JIAARN CC[C@@H](C)N(C(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000008825124 554713075 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0 482.536 4.070 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008830363 554720125 /nfs/dbraw/zinc/72/01/25/554720125.db2.gz RFHWXRZMHNLAQO-UHFFFAOYSA-N 0 0 484.628 4.486 50 0 aggregator JIAARN COc1cccc(-c2c(NC(=O)CN3CCN(c4ccccc4)CC3)oc3ccccc3c2=O)c1 ZINC000008844398 554741379 /nfs/dbraw/zinc/74/13/79/554741379.db2.gz RKVZLKOOBMNGHY-UHFFFAOYSA-N 0 0 469.541 4.229 50 0 JIAARN Cc1cc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n[nH]2)cc1C ZINC000008845281 554742127 /nfs/dbraw/zinc/74/21/27/554742127.db2.gz XHBMCSZOXCMUHC-UHFFFAOYSA-N 0 0 468.579 4.072 50 0 JIAARN CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1OC ZINC000008845464 554742818 /nfs/dbraw/zinc/74/28/18/554742818.db2.gz MOZLZRKDHHGGEV-RUZDIDTESA-N 0 0 456.502 4.330 50 0 JIAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1I ZINC000008848546 554746307 /nfs/dbraw/zinc/74/63/07/554746307.db2.gz CMDAYWBVHPQAIN-UHFFFAOYSA-N 0 0 454.333 4.152 50 0 JIAARN O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000008850052 554747072 /nfs/dbraw/zinc/74/70/72/554747072.db2.gz ONQHEZQOIKTIEO-HHHXNRCGSA-N 0 0 463.553 4.271 50 0 JIAARN COc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2)cc1 ZINC000008850132 554747362 /nfs/dbraw/zinc/74/73/62/554747362.db2.gz GGPBAXXWDNQKPQ-UHFFFAOYSA-N 0 0 470.576 4.022 50 0 JIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C)cc3OC)cs2)cc1 ZINC000008851646 554748508 /nfs/dbraw/zinc/74/85/08/554748508.db2.gz AEUXUHPCVQJEON-UHFFFAOYSA-N 0 0 457.577 4.381 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000008852014 554748709 /nfs/dbraw/zinc/74/87/09/554748709.db2.gz YSESUJTZTIZHPI-UHFFFAOYSA-N 0 0 473.551 4.371 50 0 JIAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)NCc1ccc(F)cc1 ZINC000008860313 554756826 /nfs/dbraw/zinc/75/68/26/554756826.db2.gz LJJCFIGQNLHAOZ-UHFFFAOYSA-N 0 0 458.518 4.415 50 0 JIAARN COc1ccc(NC(=O)c2ccc(CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)cc2)cc1 ZINC000008861334 554758257 /nfs/dbraw/zinc/75/82/57/554758257.db2.gz VSZUTHNETPVAMO-MHZLTWQESA-N 0 0 455.514 4.231 50 0 JIAARN C[C@@H](Oc1ccccc1F)c1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)o1 ZINC000008861854 554759371 /nfs/dbraw/zinc/75/93/71/554759371.db2.gz JIMAVCYIIZBAAT-ZIAGYGMSSA-N 0 0 456.499 4.205 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)n2C[C@@H]2CCCO2)cc1 ZINC000008862491 554760623 /nfs/dbraw/zinc/76/06/23/554760623.db2.gz QBNLASZHUNXWFQ-NRFANRHFSA-N 0 0 464.591 4.204 50 0 JIAARN Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000008868670 554762398 /nfs/dbraw/zinc/76/23/98/554762398.db2.gz YWHQYSQWZGKJOE-GOSISDBHSA-N 0 0 486.815 4.006 50 0 JIAARN CC(C)c1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008869629 554763268 /nfs/dbraw/zinc/76/32/68/554763268.db2.gz UECBCNAJIFPUER-LJQANCHMSA-N 0 0 473.978 4.399 50 0 JIAARN COCCOc1cc(-n2nc(C(=O)Nc3ccccc3OC)nc2C)c(Cl)cc1Cl ZINC000008873351 554769995 /nfs/dbraw/zinc/76/99/95/554769995.db2.gz WDPUOFADAIFZRR-UHFFFAOYSA-N 0 0 451.310 4.169 50 0 JIAARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000008879284 554774755 /nfs/dbraw/zinc/77/47/55/554774755.db2.gz QFPIHMYLMUULPP-LBPRGKRZSA-N 0 0 460.280 4.267 50 0 JIAARN O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008880164 554775566 /nfs/dbraw/zinc/77/55/66/554775566.db2.gz IFLKWZQSGGHYNU-UHFFFAOYSA-N 0 0 462.527 4.373 50 0 JIAARN O=C(CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000008880913 554776267 /nfs/dbraw/zinc/77/62/67/554776267.db2.gz MUEXEYCFZBAWOB-UHFFFAOYSA-N 0 0 493.560 4.136 50 0 JIAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1cc(C)n(Cc2ccccc2)c1C ZINC000008883572 554778263 /nfs/dbraw/zinc/77/82/63/554778263.db2.gz XCPNAJLENNLTQD-SANMLTNESA-N 0 0 471.557 4.108 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 ZINC000008897930 554788446 /nfs/dbraw/zinc/78/84/46/554788446.db2.gz JYDDTQBCJIQHNN-UHFFFAOYSA-N 0 0 463.563 4.482 50 0 JIAARN CCOCCCNC(=O)c1c(NC(=O)c2cc(=O)c3ccc(C)cc3o2)sc2c1CCCC2 ZINC000008915343 554808899 /nfs/dbraw/zinc/80/88/99/554808899.db2.gz MAFSVZJPXUIZTN-UHFFFAOYSA-N 0 0 468.575 4.450 50 0 JIAARN CCCOc1ccc(CN(C(=O)c2nc(SCCC)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008916803 554811267 /nfs/dbraw/zinc/81/12/67/554811267.db2.gz LWFUEANJFUMPBE-KRWDZBQOSA-N 0 0 498.070 4.250 50 0 JIAARN COc1cccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(Br)cc2C3(C)C)c1OC ZINC000008918607 554815287 /nfs/dbraw/zinc/81/52/87/554815287.db2.gz AQXGGGVQIRDVHM-JBOJMBJVSA-N 0 0 457.368 4.494 50 0 biogenic JIAARN CCOc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918745 554815512 /nfs/dbraw/zinc/81/55/12/554815512.db2.gz ZHQQOAWUBSBOTL-UHFFFAOYSA-N 0 0 458.511 4.067 50 0 JIAARN COc1ccc(N(CC(=O)NCCSc2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918780 554815783 /nfs/dbraw/zinc/81/57/83/554815783.db2.gz RRZYCXHHTNCSGD-UHFFFAOYSA-N 0 0 488.606 4.247 50 0 JIAARN COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)N(Cc3ccco3)C3=CCCCC3)C2=O)cc1 ZINC000008922928 554819983 /nfs/dbraw/zinc/81/99/83/554819983.db2.gz NQZPYMFCSNUZSB-SANMLTNESA-N 0 0 465.550 4.018 50 0 JIAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)N(Cc3ccco3)C3=CCCCC3)C2=O)cc1 ZINC000008922932 554820015 /nfs/dbraw/zinc/82/00/15/554820015.db2.gz NQZPYMFCSNUZSB-AREMUKBSSA-N 0 0 465.550 4.018 50 0 JIAARN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000008927340 554824770 /nfs/dbraw/zinc/82/47/70/554824770.db2.gz PIXULKPWMWOFKF-LJQANCHMSA-N 0 0 477.900 4.338 50 0 JIAARN CCOC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008928324 554825918 /nfs/dbraw/zinc/82/59/18/554825918.db2.gz JILZDTPWGNJZQE-KRWDZBQOSA-N 0 0 476.938 4.055 50 0 JIAARN O=C(CN1c2ccccc2S(=O)(=O)[C@H](c2ccccc2)CC1=O)Nc1ccc(Cl)cc1 ZINC000008931854 554826074 /nfs/dbraw/zinc/82/60/74/554826074.db2.gz ZMYVXLINCNVQEP-NRFANRHFSA-N 0 0 454.935 4.230 50 0 JIAARN Cc1ccc(CNC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4F)c3c2=O)cc1 ZINC000008933454 554827548 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494.469 4.461 50 0 JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccc(F)cc3)nn2[C@H]1c1ccccn1 ZINC000009806029 555518694 /nfs/dbraw/zinc/51/86/94/555518694.db2.gz ZJKWOLWNECVTIV-QFIPXVFZSA-N 0 0 456.481 4.415 50 0 JIAARN CC(C)Oc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)cc1 ZINC000019859970 555519576 /nfs/dbraw/zinc/51/95/76/555519576.db2.gz PEKAUTVKTJOSCQ-KRWDZBQOSA-N 0 0 450.988 4.308 50 0 JIAARN O=C(c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000013583602 555520796 /nfs/dbraw/zinc/52/07/96/555520796.db2.gz JGPAJLOOMGBTKV-UHFFFAOYSA-N 0 0 496.032 4.444 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4ccc5c(c4)OCO5)ccc32)cc1 ZINC000013583740 555521057 /nfs/dbraw/zinc/52/10/57/555521057.db2.gz VWWPGEZNTKRDLJ-UHFFFAOYSA-N 0 0 450.516 4.118 50 0 JIAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009817447 555522239 /nfs/dbraw/zinc/52/22/39/555522239.db2.gz QQVHQYIOECDWRJ-UHFFFAOYSA-N 0 0 493.633 4.027 50 0 JIAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)NCCOc3ccc(Cl)cc3)nc2n1 ZINC000009818688 555522724 /nfs/dbraw/zinc/52/27/24/555522724.db2.gz AIGCZWYBUJUTOZ-UHFFFAOYSA-N 0 0 467.982 4.496 50 0 JIAARN O=C(Nc1ccc2c(c1)OCCCO2)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009824420 555525389 /nfs/dbraw/zinc/52/53/89/555525389.db2.gz MZHOHKDOJUAANV-UHFFFAOYSA-N 0 0 466.559 4.041 50 0 JIAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc23)cc1 ZINC000009829885 555528516 /nfs/dbraw/zinc/52/85/16/555528516.db2.gz XYDWOWXOYYRMDX-UHFFFAOYSA-N 0 0 476.554 4.334 50 0 JIAARN COc1cccc(CNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc32)c1 ZINC000009829988 555529044 /nfs/dbraw/zinc/52/90/44/555529044.db2.gz LUNGPGZTQBANHZ-UHFFFAOYSA-N 0 0 479.949 4.384 50 0 JIAARN CCOc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1Cc1ccc(F)cc1 ZINC000009830328 555529659 /nfs/dbraw/zinc/52/96/59/555529659.db2.gz WLWGPVIHQAIHGS-UHFFFAOYSA-N 0 0 464.522 4.108 50 0 JIAARN CCCCCn1c2sc3c(c2c(=O)n(-c2cccc(Cl)c2C)c1=O)CCN(C(C)=O)C3 ZINC000009830571 555530526 /nfs/dbraw/zinc/53/05/26/555530526.db2.gz LBOJSEYIWUFGIR-UHFFFAOYSA-N 0 0 459.999 4.271 50 0 JIAARN CN1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000013607689 555531892 /nfs/dbraw/zinc/53/18/92/555531892.db2.gz FVAGRWHAVTXJSX-KXVHNFKESA-N 0 0 460.917 4.444 50 0 JIAARN CCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000013608233 555532244 /nfs/dbraw/zinc/53/22/44/555532244.db2.gz UZESEFJFYRMIAD-UHFFFAOYSA-N 0 0 483.634 4.195 50 0 JIAARN CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000013623480 555537871 /nfs/dbraw/zinc/53/78/71/555537871.db2.gz VESLCLUEDPOBHS-WMDMVVLCSA-N 0 0 479.621 4.380 50 0 biogenic JIAARN COc1cccc(CN(C(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000013627777 555539964 /nfs/dbraw/zinc/53/99/64/555539964.db2.gz DDCHBUWVYZUBSC-QFIPXVFZSA-N 0 0 480.586 4.059 50 0 JIAARN O=c1nc(CS(=O)(=O)c2ccc(Cl)cc2)[nH]c2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000019926535 555541907 /nfs/dbraw/zinc/54/19/07/555541907.db2.gz USXVVMGRBSKLRD-UHFFFAOYSA-N 0 0 486.018 4.170 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)nc(N3NC(C)=C[C@@]3(O)C(F)(F)Cl)n2)cc1OC ZINC000013643063 555548450 /nfs/dbraw/zinc/54/84/50/555548450.db2.gz MVJTZRLDTJVFMO-MRXNPFEDSA-N 0 0 466.794 4.286 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)nc(N3NC(C4CC4)=C[C@@]3(O)C(F)(F)F)n2)cc1OC ZINC000013643001 555548495 /nfs/dbraw/zinc/54/84/95/555548495.db2.gz WJLDVNNLADQNTP-GOSISDBHSA-N 0 0 476.377 4.407 50 0 JIAARN Cc1ccc(-c2cc(NC(=O)CSc3nnc(N4CCOCC4)n3-c3ccc(C)cc3)on2)cc1 ZINC000009847568 555549181 /nfs/dbraw/zinc/54/91/81/555549181.db2.gz WWXABDYKMDTQGC-UHFFFAOYSA-N 0 0 490.589 4.107 50 0 JIAARN COc1ccc(CN2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000009849903 555552400 /nfs/dbraw/zinc/55/24/00/555552400.db2.gz VUURIRSWZXXLAO-QHCPKHFHSA-N 0 0 477.492 4.209 50 0 JIAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009855659 555555881 /nfs/dbraw/zinc/55/58/81/555555881.db2.gz FVNCBNSWODJPRT-UHFFFAOYSA-N 0 0 472.472 4.090 50 0 JIAARN O=C1C[C@H](N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000013660562 555556231 /nfs/dbraw/zinc/55/62/31/555556231.db2.gz GHVQWUXZBXJBPX-SFHVURJKSA-N 0 0 483.193 4.210 50 0 JIAARN COc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)c3cc(C)ccc32)cc1 ZINC000009856981 555557828 /nfs/dbraw/zinc/55/78/28/555557828.db2.gz QUKNXINDCBWDGY-UHFFFAOYSA-N 0 0 490.581 4.407 50 0 JIAARN COc1ccc(-n2c(SCC(=O)c3ccccc3)nc3sc4c(c3c2=O)CCN(C)C4)cc1 ZINC000019940170 555558274 /nfs/dbraw/zinc/55/82/74/555558274.db2.gz MKMIZXGUVCUGHK-UHFFFAOYSA-N 0 0 477.611 4.419 50 0 JIAARN COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1 ZINC000009906376 555563222 /nfs/dbraw/zinc/56/32/22/555563222.db2.gz HREHFXYHIZEICP-UHFFFAOYSA-N 0 0 465.966 4.447 50 0 JIAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(Nc4ccccc4OC)nc23)cc1 ZINC000009970947 555568024 /nfs/dbraw/zinc/56/80/24/555568024.db2.gz IYMGCVKCGOXYGP-UHFFFAOYSA-N 0 0 465.560 4.486 50 0 JIAARN C[C@@H](C(=O)Nc1ccc(Br)cc1)n1nnc2sc(-c3ccccc3)cc2c1=O ZINC000009971154 555568932 /nfs/dbraw/zinc/56/89/32/555568932.db2.gz XWFFWFDRZLKOGL-LBPRGKRZSA-N 0 0 455.337 4.482 50 0 JIAARN COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c(OC)cc1NC(=O)c1ccccc1 ZINC000009971371 555569262 /nfs/dbraw/zinc/56/92/62/555569262.db2.gz AGTMZVPAMGPQKY-LJQANCHMSA-N 0 0 473.529 4.256 50 0 JIAARN COc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccc(NC(C)=O)cc3)n3c4ccccc4nc32)cc1 ZINC000019962215 555573670 /nfs/dbraw/zinc/57/36/70/555573670.db2.gz QVMRQXDTYQAFMB-VWLOTQADSA-N 0 0 497.555 4.163 50 0 JIAARN COc1cc2nc(CN3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)[nH]c(=O)c2cc1OC ZINC000013683271 555576870 /nfs/dbraw/zinc/57/68/70/555576870.db2.gz BLFCCLJDDHSWTP-UHFFFAOYSA-N 0 0 485.584 4.088 50 0 JIAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)c1ccc(Cl)s1 ZINC000009983356 555582773 /nfs/dbraw/zinc/58/27/73/555582773.db2.gz PMBBRFCZPVHEIL-UHFFFAOYSA-N 0 0 469.902 4.246 50 0 JIAARN C[C@@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009983573 555583086 /nfs/dbraw/zinc/58/30/86/555583086.db2.gz UCEUKJPOADNDPE-VXGBXAGGSA-N 0 0 493.919 4.430 50 0 JIAARN O=C1c2ccccc2C(=O)N1CCCCCc1nn2c(nnc2-c2cncc(Br)c2)s1 ZINC000013690355 555584073 /nfs/dbraw/zinc/58/40/73/555584073.db2.gz RMOKSAUXQDDWEH-UHFFFAOYSA-N 0 0 497.378 4.019 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccc(Cl)cc2Br)c1 ZINC000009985451 555584405 /nfs/dbraw/zinc/58/44/05/555584405.db2.gz QVUOOYDEQMEHCA-UHFFFAOYSA-N 0 0 482.183 4.024 50 0 JIAARN COc1ccc(-c2noc(CNC(=O)Cn3c(Cc4ccccc4)nc4ccccc43)n2)cc1 ZINC000013692490 555587131 /nfs/dbraw/zinc/58/71/31/555587131.db2.gz ZXRSBHUWAGHJCI-UHFFFAOYSA-N 0 0 453.502 4.002 50 0 JIAARN O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000009996014 555589276 /nfs/dbraw/zinc/58/92/76/555589276.db2.gz OPDVPGAUFLBBQD-UHFFFAOYSA-N 0 0 484.599 4.151 50 0 JIAARN CCCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1SCC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000010016580 555595477 /nfs/dbraw/zinc/59/54/77/555595477.db2.gz ZJVQUCRGSRXCJU-UHFFFAOYSA-N 0 0 490.651 4.209 50 0 JIAARN COc1ccc(Cn2c(CO)cnc2SCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000010019851 555595858 /nfs/dbraw/zinc/59/58/58/555595858.db2.gz UVXCCWPDXPQVOU-UHFFFAOYSA-N 0 0 451.470 4.182 50 0 JIAARN NC(=O)c1c2c(sc1NC(=O)COC(=O)CSCc1ccc(Cl)c(Cl)c1)CCC2 ZINC000010021146 555595884 /nfs/dbraw/zinc/59/58/84/555595884.db2.gz TXWQOQSMVYVOOC-UHFFFAOYSA-N 0 0 473.403 4.058 50 0 JIAARN O=C(CSc1ncc(CO)n1Cc1ccc(F)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000010019832 555595888 /nfs/dbraw/zinc/59/58/88/555595888.db2.gz YCZWJLBAGAXERP-UHFFFAOYSA-N 0 0 455.433 4.192 50 0 JIAARN CC(C)CNC(=O)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1 ZINC000010021601 555596752 /nfs/dbraw/zinc/59/67/52/555596752.db2.gz PLUXGQVHRYWXQE-UHFFFAOYSA-N 0 0 469.611 4.458 50 0 JIAARN O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)Nc1ccc(Br)cc1F ZINC000010021816 555597404 /nfs/dbraw/zinc/59/74/04/555597404.db2.gz IAXOMSFXZDCVHC-UHFFFAOYSA-N 0 0 495.370 4.098 50 0 JIAARN CCCCN1C(=O)C[C@@H](C(=O)Nc2cc(OC)c(OC)c(OC)c2)[C@@H]1c1cccc(OC)c1OC ZINC000013723579 555599069 /nfs/dbraw/zinc/59/90/69/555599069.db2.gz OYHFNGWLMRUUEI-JPYJTQIMSA-N 0 0 486.565 4.058 50 0 JIAARN CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)s1 ZINC000010028468 555600116 /nfs/dbraw/zinc/60/01/16/555600116.db2.gz MPUKTRSDOSALJM-UHFFFAOYSA-N 0 0 455.609 4.374 50 0 JIAARN COc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000010032259 555601683 /nfs/dbraw/zinc/60/16/83/555601683.db2.gz LFOCOWPMDGZCFF-QGZVFWFLSA-N 0 0 460.571 4.202 50 0 JIAARN COc1ccc(-c2nn3c(CCc4c(C)nn(-c5ccccc5)c4C)nnc3s2)cc1OC ZINC000013732137 555604051 /nfs/dbraw/zinc/60/40/51/555604051.db2.gz KBIGPWPSANRSHD-UHFFFAOYSA-N 0 0 460.563 4.458 50 0 JIAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc1O2 ZINC000013735371 555605781 /nfs/dbraw/zinc/60/57/81/555605781.db2.gz WVVSCTSFHZRORS-UHFFFAOYSA-N 0 0 477.344 4.357 50 0 JIAARN CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)Cc2ccccc2)cc1 ZINC000010059346 555609648 /nfs/dbraw/zinc/60/96/48/555609648.db2.gz HISYUGWGUMASEO-UHFFFAOYSA-N 0 0 494.679 4.221 50 0 JIAARN O=C(Cn1cc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000013751766 555610062 /nfs/dbraw/zinc/61/00/62/555610062.db2.gz RATNUDXRVZFTPE-QRVIBDJDSA-N 0 0 468.513 4.189 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Oc2ccc3c(c2)oc(C)c(-c2ccc(F)cc2)c3=O)cc1 ZINC000013756385 555610586 /nfs/dbraw/zinc/61/05/86/555610586.db2.gz FBSRHYNNRKQYPO-MRXNPFEDSA-N 0 0 495.528 4.488 50 0 JIAARN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC ZINC000010059996 555611701 /nfs/dbraw/zinc/61/17/01/555611701.db2.gz AVZJQUOWUOPMAC-HNNXBMFYSA-N 0 0 490.965 4.455 50 0 JIAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000010060085 555612048 /nfs/dbraw/zinc/61/20/48/555612048.db2.gz LEKPXQALNUFSLH-IBGZPJMESA-N 0 0 459.428 4.242 50 0 JIAARN COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN32)cc1OC ZINC000013770738 555614807 /nfs/dbraw/zinc/61/48/07/555614807.db2.gz NUPSAUAXFWWNEM-XUJYPJAKSA-N 0 0 494.547 4.098 50 0 JIAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)Sc1nc2ncccn2n1 ZINC000010073549 555614879 /nfs/dbraw/zinc/61/48/79/555614879.db2.gz FSINLJNCNZJNAY-ZDUSSCGKSA-N 0 0 453.549 4.149 50 0 JIAARN Cc1c2ccccc2oc1C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CC[C@H](C)C2 ZINC000013776212 555616389 /nfs/dbraw/zinc/61/63/89/555616389.db2.gz IPTHXJKTXVAEFO-ZFWWWQNUSA-N 0 0 486.615 4.097 50 0 JIAARN COc1ccc(-c2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)sc2C)cc1 ZINC000010099560 555617953 /nfs/dbraw/zinc/61/79/53/555617953.db2.gz DQWVJJCPUHDLTN-UHFFFAOYSA-N 0 0 457.577 4.162 50 0 JIAARN Cc1cccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2cccc3ccccc32)c4=O)c1C ZINC000010104923 555618282 /nfs/dbraw/zinc/61/82/82/555618282.db2.gz KQRGLBYTDMFJDB-UHFFFAOYSA-N 0 0 465.557 4.257 50 0 JIAARN COc1ccc(CNC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccc(F)cc2)cc1 ZINC000020069071 555625990 /nfs/dbraw/zinc/62/59/90/555625990.db2.gz KETIHAZRSLVUNB-YADHBBJMSA-N 0 0 475.549 4.168 50 0 JIAARN CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1nc2ccccc2nc1C(F)(F)F)C(F)(F)F ZINC000020076643 555628758 /nfs/dbraw/zinc/62/87/58/555628758.db2.gz IBEWCSLUYLOCAD-LJQANCHMSA-N 0 0 486.372 4.312 50 0 biogenic JIAARN Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)o2)c1 ZINC000013829323 555629979 /nfs/dbraw/zinc/62/99/79/555629979.db2.gz RERADCFEQMNCKV-UHFFFAOYSA-N 0 0 454.552 4.170 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2CCC(C)C)c1 ZINC000013838609 555630610 /nfs/dbraw/zinc/63/06/10/555630610.db2.gz STOJQJBDULTLPK-OAQYLSRUSA-N 0 0 469.513 4.215 50 0 JIAARN CCC[C@@H](O)c1cc2c(cc1NC(=O)c1ccccc1I)OCCO2 ZINC000020096370 555632214 /nfs/dbraw/zinc/63/22/14/555632214.db2.gz OZMWCIYDNDNEIY-MRXNPFEDSA-N 0 0 453.276 4.148 50 0 JIAARN O=C(Nc1cc2ccccc2cc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)C1CC1 ZINC000010139246 555636114 /nfs/dbraw/zinc/63/61/14/555636114.db2.gz GOUDYIWPJIBOPM-UHFFFAOYSA-N 0 0 485.540 4.408 50 0 JIAARN CC(=O)N(c1ccc(-c2nc3ccccc3c(=O)o2)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000010148697 555637021 /nfs/dbraw/zinc/63/70/21/555637021.db2.gz OSGKAOLUKOKATJ-UHFFFAOYSA-N 0 0 499.342 4.359 50 0 JIAARN COc1ccc(C2=NN(C(=O)CSc3nc(C)c(C)c(=O)[nH]3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000010186321 555639658 /nfs/dbraw/zinc/63/96/58/555639658.db2.gz UEOYYUHXJVXATG-JOCHJYFZSA-N 0 0 462.575 4.174 50 0 JIAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1 ZINC000010186620 555640075 /nfs/dbraw/zinc/64/00/75/555640075.db2.gz LQXNCGNBMAUFOV-UHFFFAOYSA-N 0 0 459.333 4.305 50 0 JIAARN O=C(Cn1c(=O)oc2ccccc21)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020107430 555640921 /nfs/dbraw/zinc/64/09/21/555640921.db2.gz LGEVMBBKIDNCMT-RUZDIDTESA-N 0 0 461.949 4.182 50 0 biogenic JIAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000010186973 555641510 /nfs/dbraw/zinc/64/15/10/555641510.db2.gz WKKFBJWYVQNBOE-LJQANCHMSA-N 0 0 452.561 4.083 50 0 JIAARN O=C(Nc1nc2c(s1)COc1ccccc1-2)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010187213 555643101 /nfs/dbraw/zinc/64/31/01/555643101.db2.gz FFSABRRCSFJAAC-GFCCVEGCSA-N 0 0 482.008 4.209 50 0 JIAARN CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc21 ZINC000010187566 555643587 /nfs/dbraw/zinc/64/35/87/555643587.db2.gz RTONMTCJUVBTMJ-UHFFFAOYSA-N 0 0 496.614 4.187 50 0 JIAARN O=C(c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O)N1CCN(c2ccccc2)CC1 ZINC000010188174 555644793 /nfs/dbraw/zinc/64/47/93/555644793.db2.gz HHKORGPMPONIRT-UHFFFAOYSA-N 0 0 458.949 4.061 50 0 JIAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000013898227 555644845 /nfs/dbraw/zinc/64/48/45/555644845.db2.gz ZBDPNKNIOROQQS-IBGZPJMESA-N 0 0 479.602 4.433 50 0 JIAARN CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000013898764 555645152 /nfs/dbraw/zinc/64/51/52/555645152.db2.gz BCPWIZHECZXSJU-UHFFFAOYSA-N 0 0 481.854 4.462 50 0 JIAARN COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 ZINC000010218705 555651408 /nfs/dbraw/zinc/65/14/08/555651408.db2.gz UJVVWKCEJXRDAD-UHFFFAOYSA-N 0 0 461.590 4.416 50 0 JIAARN Cc1nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)nn2c(C)c1Cc1ccccc1Cl ZINC000020116708 555654215 /nfs/dbraw/zinc/65/42/15/555654215.db2.gz LQXOBCQHUJDIKG-UHFFFAOYSA-N 0 0 495.992 4.123 50 0 JIAARN CCc1ccccc1N1C[C@H](c2nnc(NC(=O)COc3ccc(Cl)cc3)s2)CC1=O ZINC000013944433 555655848 /nfs/dbraw/zinc/65/58/48/555655848.db2.gz PZDRMTXAOWUZKJ-OAHLLOKOSA-N 0 0 456.955 4.292 50 0 JIAARN CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(NC(=O)C(C)C)cc4)s3)CC2=O)cc1 ZINC000013944556 555656394 /nfs/dbraw/zinc/65/63/94/555656394.db2.gz BTRUSPVFECVZGC-SFHVURJKSA-N 0 0 477.590 4.468 50 0 JIAARN Cc1ccc2[nH]cc(CCNC(=O)[C@@H]3CC(=O)N(CCc4c[nH]c5ccc(Cl)cc45)C3)c2c1 ZINC000013944799 555656877 /nfs/dbraw/zinc/65/68/77/555656877.db2.gz KNGAZUXYVVJKMZ-LJQANCHMSA-N 0 0 462.981 4.361 50 0 JIAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1 ZINC000010237034 555659156 /nfs/dbraw/zinc/65/91/56/555659156.db2.gz ALICZUCGORZPRW-UHFFFAOYSA-N 0 0 472.567 4.070 50 0 JIAARN Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Sc3ccc(Cl)cc3)C2)cn1 ZINC000013960152 555663311 /nfs/dbraw/zinc/66/33/11/555663311.db2.gz ZBSGQWKYJDQNGN-MRXNPFEDSA-N 0 0 491.038 4.264 50 0 JIAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CC(=O)Nc2ccc(F)cc2)C3=O)cc1 ZINC000010272426 555665935 /nfs/dbraw/zinc/66/59/35/555665935.db2.gz ZGAORYRLGVFLMZ-RUZDIDTESA-N 0 0 461.518 4.052 50 0 JIAARN O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000013987168 555667475 /nfs/dbraw/zinc/66/74/75/555667475.db2.gz STWBXOGMHBBULX-UHFFFAOYSA-N 0 0 480.568 4.337 50 0 JIAARN CCc1ccc(N2C(=O)CS(=O)(=O)[C@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000010273691 555668609 /nfs/dbraw/zinc/66/86/09/555668609.db2.gz KHPSQPVYWHFVMR-VWLOTQADSA-N 0 0 480.973 4.064 50 0 JIAARN Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)N(c2ccc(C)c(C)c2)C(=O)CS3(=O)=O)c1 ZINC000010273680 555668674 /nfs/dbraw/zinc/66/86/74/555668674.db2.gz FPFCFHUIKOQXMJ-HHHXNRCGSA-N 0 0 474.582 4.081 50 0 JIAARN O=C(Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c2ccccc21)N1CCOCC1 ZINC000014008788 555668941 /nfs/dbraw/zinc/66/89/41/555668941.db2.gz BQAGNSOLELJRGW-XKZIYDEJSA-N 0 0 495.988 4.390 50 0 JIAARN CCOC(=O)COc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000014009733 555669688 /nfs/dbraw/zinc/66/96/88/555669688.db2.gz QNZOCEYBJCJFDK-CXUHLZMHSA-N 0 0 479.714 4.142 50 0 JIAARN COc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000014021804 555673396 /nfs/dbraw/zinc/67/33/96/555673396.db2.gz KFOISCKPHBCRJH-IRLDBZIGSA-N 0 0 456.608 4.168 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000010286461 555673523 /nfs/dbraw/zinc/67/35/23/555673523.db2.gz OXIYXIGGXRHNMZ-LJQANCHMSA-N 0 0 454.514 4.041 50 0 JIAARN Cc1ccc(C)c(NC(=O)[C@@H](Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2)c1 ZINC000014022729 555673686 /nfs/dbraw/zinc/67/36/86/555673686.db2.gz PLVCISJAZGURJE-VWLOTQADSA-N 0 0 480.586 4.083 50 0 JIAARN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000020154419 555674026 /nfs/dbraw/zinc/67/40/26/555674026.db2.gz FCRJRIYZBCSOAG-KRWDZBQOSA-N 0 0 479.421 4.347 50 0 JIAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000010291732 555674386 /nfs/dbraw/zinc/67/43/86/555674386.db2.gz MURXMDRUHZJXIB-JOCHJYFZSA-N 0 0 494.560 4.472 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCCc3ccc(C)cc3C)cc2)cc1 ZINC000010294681 555675008 /nfs/dbraw/zinc/67/50/08/555675008.db2.gz DGUMSQQEQAUPDP-UHFFFAOYSA-N 0 0 478.614 4.347 50 0 JIAARN COc1cc(CN(C)C(=O)Cc2csc(NC(=O)c3ccccc3)n2)ccc1OC(F)F ZINC000014055293 555675022 /nfs/dbraw/zinc/67/50/22/555675022.db2.gz DAESQIIZIQJZQO-UHFFFAOYSA-N 0 0 461.490 4.207 50 0 JIAARN COc1cc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3cnnc23)cc(OC)c1OC ZINC000020177254 555682777 /nfs/dbraw/zinc/68/27/77/555682777.db2.gz KEJWFVVORQCJHX-UHFFFAOYSA-N 0 0 455.474 4.278 50 0 JIAARN CSc1nnc(CCCNC(=O)c2c(C)nn(Cc3ccccc3)c2C)n1C1CCCC1 ZINC000014092884 555685264 /nfs/dbraw/zinc/68/52/64/555685264.db2.gz UZYNYOUXKBXGAC-UHFFFAOYSA-N 0 0 452.628 4.339 50 0 JIAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2C)S3)CC1 ZINC000020180093 555686134 /nfs/dbraw/zinc/68/61/34/555686134.db2.gz PLFWCJOJAYJTJE-KQWNVCNZSA-N 0 0 479.602 4.455 50 0 JIAARN COc1cc(CSc2nnc(-c3ccc(Cl)cc3)n2N)c(OC)cc1Br ZINC000014094560 555686832 /nfs/dbraw/zinc/68/68/32/555686832.db2.gz PRSZSYBRJWSKGB-UHFFFAOYSA-N 0 0 455.765 4.384 50 0 JIAARN COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000020180920 555687565 /nfs/dbraw/zinc/68/75/65/555687565.db2.gz YBTANCVTOMSPNU-ZMOGYAJESA-N 0 0 474.538 4.220 50 0 JIAARN CCOCCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 ZINC000020180978 555687585 /nfs/dbraw/zinc/68/75/85/555687585.db2.gz OIYZJYOENJVOAV-XSFVSMFZSA-N 0 0 475.408 4.472 50 0 JIAARN CCCC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1 ZINC000014108872 555689558 /nfs/dbraw/zinc/68/95/58/555689558.db2.gz ZMNHNSVBCQODCH-LJQANCHMSA-N 0 0 465.575 4.289 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)N1CCC(C)CC1)n(CCc1ccccc1)c2=O ZINC000010346249 555694207 /nfs/dbraw/zinc/69/42/07/555694207.db2.gz KUZQDPNQDPKBHV-LJQANCHMSA-N 0 0 493.629 4.165 50 0 JIAARN Cc1ccccc1-n1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1N1CCOCC1 ZINC000010350067 555694405 /nfs/dbraw/zinc/69/44/05/555694405.db2.gz ZFWKDMAYMAPFLO-UHFFFAOYSA-N 0 0 468.970 4.408 50 0 JIAARN COc1cc(OC)c([C@H]2NC(=S)N(c3ccccc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1OC ZINC000010353071 555694819 /nfs/dbraw/zinc/69/48/19/555694819.db2.gz KSYRKLVPBCDBQX-HSZRJFAPSA-N 0 0 494.573 4.357 50 0 JIAARN COc1ccc(N2C(=O)N[C@H](c3c(F)cccc3F)C(C(=O)Nc3cc(C)on3)=C2C)cc1 ZINC000010353723 555694827 /nfs/dbraw/zinc/69/48/27/555694827.db2.gz XNFBLACIPBTJOT-NRFANRHFSA-N 0 0 454.433 4.453 50 0 JIAARN COc1cc([C@@H]2NC(=S)N(c3ccccc3)C(C)=C2C(=O)Nc2cc(C)on2)ccc1O ZINC000010353027 555694833 /nfs/dbraw/zinc/69/48/33/555694833.db2.gz JGLOVSIRAJTRJQ-NRFANRHFSA-N 0 0 450.520 4.046 50 0 JIAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1cccc(OC)c1OC(C)C ZINC000010353871 555694905 /nfs/dbraw/zinc/69/49/05/555694905.db2.gz UTFMXUZXLHNOIC-QFIPXVFZSA-N 0 0 484.574 4.136 50 0 JIAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccs2)N2CCN(CCO)CC2)c1C ZINC000020193574 555694964 /nfs/dbraw/zinc/69/49/64/555694964.db2.gz HXFDHAGSULWCAU-QFIPXVFZSA-N 0 0 455.649 4.378 50 0 JIAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccs2)N2CCN(CCO)CC2)c1C ZINC000020193577 555694980 /nfs/dbraw/zinc/69/49/80/555694980.db2.gz HXFDHAGSULWCAU-JOCHJYFZSA-N 0 0 455.649 4.378 50 0 JIAARN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@H]1c1cc(OC)c(OC(F)F)c(OC)c1 ZINC000010355259 555695293 /nfs/dbraw/zinc/69/52/93/555695293.db2.gz JQNCFPMYBOQEGT-IBGZPJMESA-N 0 0 478.517 4.496 50 0 JIAARN COc1ccc(CN(C(=O)Cn2cc(Br)ccc2=O)[C@H](C)Cc2cccs2)cc1 ZINC000014124164 555695859 /nfs/dbraw/zinc/69/58/59/555695859.db2.gz JLOULDBZAMUMSX-MRXNPFEDSA-N 0 0 475.408 4.341 50 0 JIAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)n1Cc1ccccc1 ZINC000014129221 555698724 /nfs/dbraw/zinc/69/87/24/555698724.db2.gz BTIWOARKHTWPIO-QGZVFWFLSA-N 0 0 473.558 4.361 50 0 JIAARN COc1cc(/C=C/C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)cc(Cl)c1OC ZINC000014129487 555699292 /nfs/dbraw/zinc/69/92/92/555699292.db2.gz QTPGPPPJWBEDKU-HHANERBHSA-N 0 0 472.950 4.223 50 0 JIAARN COc1ccc(-c2csc3nc(C)nc(N4Cc5ccccc5C[C@@H]4C(N)=O)c23)cc1OC ZINC000014129613 555699685 /nfs/dbraw/zinc/69/96/85/555699685.db2.gz WOMQRZLZJNPDFY-LJQANCHMSA-N 0 0 460.559 4.101 50 0 JIAARN C[C@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000010375515 555700862 /nfs/dbraw/zinc/70/08/62/555700862.db2.gz UMIGKSJWQUIOBB-KRWDZBQOSA-N 0 0 455.580 4.177 50 0 JIAARN CCCCN(C(=O)CSc1nc2ccccc2n1C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000010398358 555705444 /nfs/dbraw/zinc/70/54/44/555705444.db2.gz GOCLWTFGKPKKHK-IBGZPJMESA-N 0 0 463.669 4.449 50 0 JIAARN COC[C@H](C)n1c(=O)c2ccccc2nc1S[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000010420176 555706609 /nfs/dbraw/zinc/70/66/09/555706609.db2.gz WVFMMFQQLXJDDY-ASMVTZPNSA-N 0 0 455.624 4.170 50 0 JIAARN Cc1ccccc1N(C)S(=O)(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)c(C)cc1C ZINC000010435078 555709674 /nfs/dbraw/zinc/70/96/74/555709674.db2.gz ZXSUYUHEVGZNSN-UHFFFAOYSA-N 0 0 458.605 4.262 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1 ZINC000010445354 555712689 /nfs/dbraw/zinc/71/26/89/555712689.db2.gz MPDZYVJNGGFXFZ-UHFFFAOYSA-N 0 0 479.510 4.071 50 0 JIAARN COc1ccc(CCN2CSC(=S)N(CCc3ccc(OC)c(OC)c3)C2)cc1OC ZINC000020223264 555717740 /nfs/dbraw/zinc/71/77/40/555717740.db2.gz UKOMXNJCDWIWSI-UHFFFAOYSA-N 0 0 462.637 4.057 50 0 JIAARN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccccc3Br)cc2)CC1=O ZINC000010462168 555718264 /nfs/dbraw/zinc/71/82/64/555718264.db2.gz HOGGMDCPFKXYNL-INIZCTEOSA-N 0 0 458.356 4.289 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000014166268 555719086 /nfs/dbraw/zinc/71/90/86/555719086.db2.gz HSGWTTMCWXBORP-UHFFFAOYSA-N 0 0 482.558 4.014 50 0 JIAARN O=C(NCc1cnn(-c2ccccc2)c1)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1)c2=O ZINC000010488133 555720610 /nfs/dbraw/zinc/72/06/10/555720610.db2.gz LNKWZKQJDURUBC-UHFFFAOYSA-N 0 0 453.527 4.164 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)ccc1Cl ZINC000010503898 555721466 /nfs/dbraw/zinc/72/14/66/555721466.db2.gz DOTSUGUSQBAXHE-KRWDZBQOSA-N 0 0 475.014 4.267 50 0 JIAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3)(c3ccccc3)CC2)c1 ZINC000014169733 555721646 /nfs/dbraw/zinc/72/16/46/555721646.db2.gz OLGZJHHWZOXPLV-UHFFFAOYSA-N 0 0 462.571 4.250 50 0 JIAARN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000014170163 555721917 /nfs/dbraw/zinc/72/19/17/555721917.db2.gz SGMTYWLOXRJZME-QHCPKHFHSA-N 0 0 494.642 4.220 50 0 JIAARN Cc1cc(-c2csc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)c(C)s1 ZINC000010520680 555722844 /nfs/dbraw/zinc/72/28/44/555722844.db2.gz IQENNYDGZAPGMM-UHFFFAOYSA-N 0 0 456.014 4.401 50 0 JIAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3cccc4cccnc43)C2=O)cc1 ZINC000010539889 555723743 /nfs/dbraw/zinc/72/37/43/555723743.db2.gz DDJRHGCZMHXNIO-UHFFFAOYSA-N 0 0 453.498 4.248 50 0 JIAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2cc(C)n(CCc3cccs3)c2C)C1=O ZINC000014182917 555724191 /nfs/dbraw/zinc/72/41/91/555724191.db2.gz DHNWSTNGLMFOKT-AREMUKBSSA-N 0 0 479.602 4.458 50 0 JIAARN COc1ccc2c(c1)CCCN2C(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000010542391 555725465 /nfs/dbraw/zinc/72/54/65/555725465.db2.gz KGMLCMHGBKUCSB-UHFFFAOYSA-N 0 0 473.982 4.423 50 0 JIAARN O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1ccc(CSc2nc[nH]n2)cc1 ZINC000014189955 555728257 /nfs/dbraw/zinc/72/82/57/555728257.db2.gz CWNOSOADXRBIHI-UHFFFAOYSA-N 0 0 487.541 4.008 50 0 JIAARN CCCn1c2ccccc2nc1NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000010652643 555730435 /nfs/dbraw/zinc/73/04/35/555730435.db2.gz 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CCc1cccc(NC(=O)Cn2nc(SC)c(-c3nc(-c4ccc(OC)cc4)no3)c2N)c1 ZINC000023118989 556012424 /nfs/dbraw/zinc/01/24/24/556012424.db2.gz OTNVFUZPFDHPTO-UHFFFAOYSA-N 0 0 464.551 4.114 50 0 JIAARN CCNc1nn(CC(=O)Nc2ccc(Br)cc2)c(N)c1-c1nc(-c2ccccc2C)no1 ZINC000023125416 556013431 /nfs/dbraw/zinc/01/34/31/556013431.db2.gz HMRVETHSSHEACB-UHFFFAOYSA-N 0 0 496.369 4.324 50 0 JIAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000012540738 556014575 /nfs/dbraw/zinc/01/45/75/556014575.db2.gz RKXAPWVZCKHPPX-UHFFFAOYSA-N 0 0 451.342 4.315 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(Cl)cc4)no3)c2=O)cc1 ZINC000023126299 556015160 /nfs/dbraw/zinc/01/51/60/556015160.db2.gz PIIPGBSTHRCGPB-UHFFFAOYSA-N 0 0 478.892 4.034 50 0 JIAARN COc1cc(OC)cc(C(=O)N2CCC(c3nnc(C(=O)Nc4cccc(Cl)c4)s3)CC2)c1 ZINC000015827888 556015241 /nfs/dbraw/zinc/01/52/41/556015241.db2.gz DWXKVFTUFLHZKX-UHFFFAOYSA-N 0 0 486.981 4.481 50 0 JIAARN Cc1cc(C)c2c(=O)cc(C(=O)N(Cc3ccc(C(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)oc2c1 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/nfs/dbraw/zinc/02/31/14/556023114.db2.gz UNTIBYLCAIXHAC-DEOSSOPVSA-N 0 0 454.596 4.093 50 0 JIAARN CCOC(=O)Cn1nc(SCC(C)C)n2c1nc1c(c2=O)[C@](C)(CC)Cc2ccccc2-1 ZINC000015839563 556023169 /nfs/dbraw/zinc/02/31/69/556023169.db2.gz UNTIBYLCAIXHAC-XMMPIXPASA-N 0 0 454.596 4.093 50 0 JIAARN COc1ccc([C@@H](NC(=O)Cc2csc(COc3ccc(C)cc3)n2)c2nccn2C)cc1 ZINC000012547770 556024763 /nfs/dbraw/zinc/02/47/63/556024763.db2.gz QRIOANFBLHVPFA-XMMPIXPASA-N 0 0 462.575 4.221 50 0 JIAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)C[C@](O)(c1nccn1C)C(F)(F)F ZINC000012548262 556025847 /nfs/dbraw/zinc/02/58/47/556025847.db2.gz NSMWHTDCYWFASK-IBGZPJMESA-N 0 0 486.288 4.241 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)c2)cc1 ZINC000012548566 556026981 /nfs/dbraw/zinc/02/69/81/556026981.db2.gz MQBBBMJISZWENL-SANMLTNESA-N 0 0 494.613 4.390 50 0 JIAARN Cc1ccc(-c2c3c(c4n2-c2ccccc2O[C@H]4c2ccc(O)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000015858896 556027242 /nfs/dbraw/zinc/02/72/42/556027242.db2.gz 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Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c1C ZINC000012551600 556033585 /nfs/dbraw/zinc/03/35/85/556033585.db2.gz UBCUEHLBZQZFBM-UHFFFAOYSA-N 0 0 478.574 4.033 50 0 JIAARN CN(C)S(=O)(=O)c1cccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000023248954 556034731 /nfs/dbraw/zinc/03/47/31/556034731.db2.gz VJJDOPMPGAPUKB-UHFFFAOYSA-N 0 0 485.600 4.122 50 0 JIAARN CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(OC(F)F)c(Cc4ccccc4)c3)ccc21 ZINC000012552391 556035212 /nfs/dbraw/zinc/03/52/12/556035212.db2.gz GNSCTOAROMKNNI-UHFFFAOYSA-N 0 0 458.486 4.199 50 0 JIAARN CN(Cc1cccnc1)C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000012553228 556036951 /nfs/dbraw/zinc/03/69/51/556036951.db2.gz BAHZOMBHMAXVRG-UHFFFAOYSA-N 0 0 475.570 4.097 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000023261578 556036993 /nfs/dbraw/zinc/03/69/93/556036993.db2.gz PNOJLFQEDTYTEX-UHFFFAOYSA-N 0 0 460.559 4.318 50 0 JIAARN COC(=O)C1=C(C)N(c2cc(C)ccc2C)C(=S)N[C@@H]1c1cc(OC)c(OC)cc1OC 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JESZXKVUWWWTMJ-UHFFFAOYSA-N 0 0 460.559 4.360 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2ccc(C)cc2n1 ZINC000015865451 556041639 /nfs/dbraw/zinc/04/16/39/556041639.db2.gz DZWHYUIIPNNPIS-UHFFFAOYSA-N 0 0 472.501 4.403 50 0 JIAARN Cc1ccc2nc(COc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)cc(=O)n2c1 ZINC000015865507 556041889 /nfs/dbraw/zinc/04/18/89/556041889.db2.gz ZAPOHNYEJBHROT-UHFFFAOYSA-N 0 0 455.923 4.036 50 0 JIAARN C[C@H](NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccc(S(N)(=O)=O)cc1 ZINC000012556540 556042856 /nfs/dbraw/zinc/04/28/56/556042856.db2.gz AZSVGPNBBHMJST-KRWDZBQOSA-N 0 0 492.626 4.361 50 0 JIAARN COc1ccc([C@H]2C[C@@H](c3cc(Br)ccc3OC(F)F)n3nnnc3N2)cc1 ZINC000015866266 556043651 /nfs/dbraw/zinc/04/36/51/556043651.db2.gz GXGXQRYBXMQTJO-CABCVRRESA-N 0 0 452.259 4.192 50 0 JIAARN COc1cccc([C@H]2C[C@@H](c3ccc(I)cc3)Nc3nnnn32)c1OC(F)F ZINC000015866250 556043654 /nfs/dbraw/zinc/04/36/54/556043654.db2.gz DPVRFXCXYOUGHK-UONOGXRCSA-N 0 0 499.259 4.034 50 0 JIAARN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000012556924 556043762 /nfs/dbraw/zinc/04/37/62/556043762.db2.gz KRNVEXGAZRLNRC-QFIPXVFZSA-N 0 0 453.564 4.037 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 ZINC000012557107 556044278 /nfs/dbraw/zinc/04/42/78/556044278.db2.gz NWYFUPCDKGQXTG-UHFFFAOYSA-N 0 0 479.558 4.047 50 0 JIAARN CSc1ncc(CNCc2cccc(F)c2F)c(N2CCN(c3ccccc3F)CC2)n1 ZINC000023336643 556046901 /nfs/dbraw/zinc/04/69/01/556046901.db2.gz RGUCZUBNRQJGAS-UHFFFAOYSA-N 0 0 459.541 4.232 50 0 JIAARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCCCCC1 ZINC000012558566 556048274 /nfs/dbraw/zinc/04/82/74/556048274.db2.gz GSCYJIGGAGTSPK-NTKDMRAZSA-N 0 0 465.594 4.495 50 0 JIAARN CC(C)C(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000015870297 556050124 /nfs/dbraw/zinc/05/01/24/556050124.db2.gz ACCCJZDCPAAUTQ-UHFFFAOYSA-N 0 0 454.371 4.454 50 0 JIAARN CCc1sc(-c2nnc(CN3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)o2)cc1C ZINC000023409518 556052112 /nfs/dbraw/zinc/05/21/12/556052112.db2.gz BUZCLAMPAWXDSE-UHFFFAOYSA-N 0 0 474.652 4.299 50 0 JIAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000015880235 556052263 /nfs/dbraw/zinc/05/22/63/556052263.db2.gz XMEVQMVLCLHBJN-UHFFFAOYSA-N 0 0 498.674 4.374 50 0 JIAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1 ZINC000015882292 556056042 /nfs/dbraw/zinc/05/60/42/556056042.db2.gz ZCYGYMFWQCXQFS-UHFFFAOYSA-N 0 0 464.378 4.038 50 0 JIAARN O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000015882447 556056598 /nfs/dbraw/zinc/05/65/98/556056598.db2.gz CSLVBVMMAGUYSE-UHFFFAOYSA-N 0 0 496.589 4.199 50 0 JIAARN Cc1ccc(-n2c(-c3ccccc3)nn(CN(CC(C)C)[C@H]3CCS(=O)(=O)C3)c2=S)cc1 ZINC000012564569 556060632 /nfs/dbraw/zinc/06/06/32/556060632.db2.gz HXNQDYCWDWEBRZ-QFIPXVFZSA-N 0 0 470.664 4.481 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3nc(SC)sc3c2)ccc1F ZINC000015896760 556062020 /nfs/dbraw/zinc/06/20/20/556062020.db2.gz ROBAURSMESQJPZ-UHFFFAOYSA-N 0 0 453.586 4.440 50 0 JIAARN CCCCc1ccc(S(=O)(=O)N2CCN(c3nccc(-c4ccc(OCC)cc4)n3)CC2)cc1 ZINC000023444999 556062085 /nfs/dbraw/zinc/06/20/85/556062085.db2.gz LFZUBFMCTDETEG-UHFFFAOYSA-N 0 0 480.634 4.396 50 0 JIAARN COc1ccc2nc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccc(Cl)cc3)sc2c1 ZINC000015906057 556063018 /nfs/dbraw/zinc/06/30/18/556063018.db2.gz UEEHZRQCWUJZBV-KRWDZBQOSA-N 0 0 465.984 4.140 50 0 JIAARN COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)c1OC ZINC000015910822 556064533 /nfs/dbraw/zinc/06/45/33/556064533.db2.gz OLIXAMQIVGARHJ-KRWDZBQOSA-N 0 0 451.470 4.154 50 0 JIAARN O=C(C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000015910857 556064569 /nfs/dbraw/zinc/06/45/69/556064569.db2.gz KVNRZADQLDEOIT-OVCLIPMQSA-N 0 0 497.613 4.195 50 0 JIAARN COC(=O)c1cccc(CSc2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2C(C)C)c1 ZINC000023450115 556065017 /nfs/dbraw/zinc/06/50/17/556065017.db2.gz SMYRMJWGVPYNKO-UHFFFAOYSA-N 0 0 473.620 4.481 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCCc2ccc(Cl)cc2Cl)c1 ZINC000012567033 556065660 /nfs/dbraw/zinc/06/56/60/556065660.db2.gz HYLVPUNYDGIVNE-UHFFFAOYSA-N 0 0 484.449 4.207 50 0 JIAARN COc1ccccc1CN(Cc1cccs1)C(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC000023452675 556066568 /nfs/dbraw/zinc/06/65/68/556066568.db2.gz KUFICDNFPAQLRF-UHFFFAOYSA-N 0 0 456.951 4.365 50 0 JIAARN CCCCN(C)C(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000015922052 556069219 /nfs/dbraw/zinc/06/92/19/556069219.db2.gz NYILEQMHCYOESK-QGZVFWFLSA-N 0 0 468.985 4.477 50 0 JIAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000012568597 556069403 /nfs/dbraw/zinc/06/94/03/556069403.db2.gz YDSITWWTPWXPQH-UHFFFAOYSA-N 0 0 499.662 4.089 50 0 JIAARN O=C(c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)N1CC=C(c2ccccc2)CC1 ZINC000015933672 556071686 /nfs/dbraw/zinc/07/16/86/556071686.db2.gz XRGNCAATSIMPOJ-UHFFFAOYSA-N 0 0 487.625 4.127 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000015935298 556073058 /nfs/dbraw/zinc/07/30/58/556073058.db2.gz QBFVEHRKAQEUKJ-JOCHJYFZSA-N 0 0 457.596 4.124 50 0 JIAARN O=C(NC[C@H]1CCC2(CCN(C(=O)c3ccc(-c4cccc(F)c4)cc3)CC2)O1)c1ccccn1 ZINC000012571307 556073607 /nfs/dbraw/zinc/07/36/07/556073607.db2.gz QEDPVJOZQXCLJV-XMMPIXPASA-N 0 0 473.548 4.472 50 0 JIAARN COc1cc(C(=O)Nc2ccccc2SCc2cc(=O)n3nc(C)sc3n2)cc(OC)c1OC ZINC000015936574 556074534 /nfs/dbraw/zinc/07/45/34/556074534.db2.gz PJFTWAUFIMFFJT-UHFFFAOYSA-N 0 0 498.586 4.030 50 0 JIAARN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000023535464 556077178 /nfs/dbraw/zinc/07/71/78/556077178.db2.gz CRRZVODEYKROAC-UHFFFAOYSA-N 0 0 484.531 4.285 50 0 JIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NCc1ccc(Cl)cc1)nc2C ZINC000015942962 556078338 /nfs/dbraw/zinc/07/83/38/556078338.db2.gz BXPITSRJPOZWMD-UHFFFAOYSA-N 0 0 463.969 4.257 50 0 JIAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000012582067 556079714 /nfs/dbraw/zinc/07/97/14/556079714.db2.gz IVDNXONZVLMSRJ-UHFFFAOYSA-N 0 0 462.886 4.303 50 0 JIAARN COc1cccc([C@@H](CNC(=O)CNC(=O)C2CCCCC2)c2c[nH]c3ccccc32)c1OC ZINC000023600614 556079926 /nfs/dbraw/zinc/07/99/26/556079926.db2.gz GTPVSUYWKHAJPD-JOCHJYFZSA-N 0 0 463.578 4.130 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)sc3c2SC[C@]2(C)COc4ccccc4[C@H]32)cc1 ZINC000012583079 556080434 /nfs/dbraw/zinc/08/04/34/556080434.db2.gz SKQPUMUIUOAOJU-NLFFAJNJSA-N 0 0 496.610 4.362 50 0 JIAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)N[C@@H](C)CCc3ccccc3)c(C)o2)cc1OC ZINC000015944324 556080455 /nfs/dbraw/zinc/08/04/55/556080455.db2.gz JFDSWNVPWSBOMS-UGAOPGRHSA-N 0 0 470.591 4.053 50 0 JIAARN CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1C ZINC000012584430 556081916 /nfs/dbraw/zinc/08/19/16/556081916.db2.gz YMAPYESPBHWPCO-HUUCEWRRSA-N 0 0 464.609 4.152 50 0 JIAARN C[C@H](c1nnc(SCC(=O)N(C)Cc2nc3ccccc3s2)n1-c1ccc(F)cc1)N(C)C ZINC000012585942 556083299 /nfs/dbraw/zinc/08/32/99/556083299.db2.gz ZCZFDMVLFWAIGB-OAHLLOKOSA-N 0 0 484.626 4.389 50 0 JIAARN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc4c(c3)OCCO4)c2)c1 ZINC000023709596 556084569 /nfs/dbraw/zinc/08/45/69/556084569.db2.gz DTTQIUSXNPSBAX-UHFFFAOYSA-N 0 0 458.923 4.473 50 0 JIAARN Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n1C ZINC000012588922 556085351 /nfs/dbraw/zinc/08/53/51/556085351.db2.gz NWUYXXKYVSOYRE-AWEZNQCLSA-N 0 0 495.527 4.358 50 0 JIAARN CC(C)OCCCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(Cl)c2)C1=O ZINC000015956152 556088399 /nfs/dbraw/zinc/08/83/99/556088399.db2.gz WUPCSJVEIOVOKZ-RDGATRHJSA-N 0 0 465.981 4.321 50 0 biogenic JIAARN COc1cc(NC(=O)[C@@H](C)Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)cc(OC)c1 ZINC000012593256 556088604 /nfs/dbraw/zinc/08/86/04/556088604.db2.gz JPGDACDWKIEADA-HUUCEWRRSA-N 0 0 473.574 4.166 50 0 JIAARN CC1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)NC4CC4)ccc3Br)cc2)CC1 ZINC000012593972 556089245 /nfs/dbraw/zinc/08/92/45/556089245.db2.gz FKQXQBRGYFLVIB-UHFFFAOYSA-N 0 0 492.439 4.378 50 0 JIAARN Cc1cccc(NC(=O)CSCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000015961781 556093285 /nfs/dbraw/zinc/09/32/85/556093285.db2.gz RFOMMGOCWDYUBF-UHFFFAOYSA-N 0 0 467.513 4.161 50 0 JIAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000023934912 556101372 /nfs/dbraw/zinc/10/13/72/556101372.db2.gz NHGKKQZTJKODLF-SFHVURJKSA-N 0 0 467.664 4.090 50 0 JIAARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 ZINC000015987204 556101343 /nfs/dbraw/zinc/10/13/43/556101343.db2.gz YSWWFSLBVXVOHJ-NMLBUPMWSA-N 0 0 469.463 4.199 50 0 JIAARN O=C(Nc1cccc(Br)c1)c1c(O)c2c(n(Cc3ccccc3)c1=O)CCCC2 ZINC000015987654 556101603 /nfs/dbraw/zinc/10/16/03/556101603.db2.gz WRYILOABMMPSHS-UHFFFAOYSA-N 0 0 453.336 4.496 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000015989290 556101987 /nfs/dbraw/zinc/10/19/87/556101987.db2.gz ZWIHFEGCATXRJI-QUMGSSFMSA-N 0 0 479.536 4.158 50 0 JIAARN O=C(Nc1ccccc1)Nc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000012735591 556105493 /nfs/dbraw/zinc/10/54/93/556105493.db2.gz FQAQMPNCLMDSMU-DEOSSOPVSA-N 0 0 462.525 4.273 50 0 JIAARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000016001461 556106341 /nfs/dbraw/zinc/10/63/41/556106341.db2.gz ICVOBUZHHHQLHR-BQJUDKOJSA-N 0 0 492.597 4.282 50 0 JIAARN Cc1sc2[nH]c(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)nc(=O)c2c1C ZINC000023968448 556108918 /nfs/dbraw/zinc/10/89/18/556108918.db2.gz DTPQKULZXIXTAQ-ZDUSSCGKSA-N 0 0 459.622 4.393 50 0 JIAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016011474 556110602 /nfs/dbraw/zinc/11/06/02/556110602.db2.gz OPHPNPHFPLFZHW-DDOIHHOZSA-N 0 0 489.881 4.098 50 0 JIAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000012785211 556112663 /nfs/dbraw/zinc/11/26/63/556112663.db2.gz SFPRLNXLHLLGJR-PIRDJBJRSA-N 0 0 458.002 4.218 50 0 JIAARN COc1ccccc1CN(Cc1cccs1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016015033 556112721 /nfs/dbraw/zinc/11/27/21/556112721.db2.gz ZAFMLQBCPQPHHK-UHFFFAOYSA-N 0 0 479.023 4.260 50 0 JIAARN COc1ccccc1CN(Cc1cccs1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000016015015 556112783 /nfs/dbraw/zinc/11/27/83/556112783.db2.gz BFAUKCMPTOTWMG-UHFFFAOYSA-N 0 0 484.643 4.386 50 0 JIAARN C[C@@H]1C[NH+](CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(Cl)c2)C[C@@H](C)O1 ZINC000023991087 556114730 /nfs/dbraw/zinc/11/47/30/556114730.db2.gz UHOGSRPPULZRHB-HUUCEWRRSA-N 0 0 486.421 4.232 50 0 JIAARN Cc1sc2nc(CN3CCOCC3)nc(Sc3nnc(-c4ccc(F)cc4)o3)c2c1C ZINC000024001819 556116064 /nfs/dbraw/zinc/11/60/64/556116064.db2.gz FHGGWKWRRCUJHO-UHFFFAOYSA-N 0 0 457.556 4.481 50 0 JIAARN COc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1Br ZINC000012843249 556116798 /nfs/dbraw/zinc/11/67/98/556116798.db2.gz VLPWXFZKWQEJPH-UHFFFAOYSA-N 0 0 458.341 4.493 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000016035046 556118643 /nfs/dbraw/zinc/11/86/43/556118643.db2.gz LVTUFFUVKLFKCV-ASDGIDEWSA-N 0 0 464.521 4.276 50 0 JIAARN CCCCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000012860608 556119352 /nfs/dbraw/zinc/11/93/52/556119352.db2.gz GGSSOHAHFTZPNA-RJWMVNQGSA-N 0 0 462.631 4.077 50 0 biogenic JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000016037802 556120321 /nfs/dbraw/zinc/12/03/21/556120321.db2.gz FWYCQVIDSJZTIO-LIONHTAISA-N 0 0 468.484 4.233 50 0 JIAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)C(=O)c1c[nH]c2ccccc21 ZINC000024163391 556124821 /nfs/dbraw/zinc/12/48/21/556124821.db2.gz BNSZTNPXATWJNC-OAHLLOKOSA-N 0 0 492.509 4.126 50 0 JIAARN CCCCN(Cn1nc(-c2ccc(C(C)(C)C)cc2)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012908026 556127163 /nfs/dbraw/zinc/12/71/63/556127163.db2.gz XKFIUJFCLAOPKO-IBGZPJMESA-N 0 0 450.674 4.162 50 0 JIAARN CCOc1ccc(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)cc1S(=O)(=O)N(C)C ZINC000024329076 556129328 /nfs/dbraw/zinc/12/93/28/556129328.db2.gz TWXHNGZHIBBNKM-UHFFFAOYSA-N 0 0 492.601 4.246 50 0 JIAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)c2sc3cccc(F)c3c2COC)CC1 ZINC000012912047 556131279 /nfs/dbraw/zinc/13/12/79/556131279.db2.gz OGKHJPSLBKIQDK-UHFFFAOYSA-N 0 0 469.582 4.146 50 0 JIAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCN(C(=O)c3cccc4ccccc43)CC1)C2=O ZINC000012914087 556132950 /nfs/dbraw/zinc/13/29/50/556132950.db2.gz XIKCRJOLSRMVGX-UHFFFAOYSA-N 0 0 490.648 4.472 50 0 JIAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012915222 556134367 /nfs/dbraw/zinc/13/43/67/556134367.db2.gz LXSKLHDZRYSAGU-QHCPKHFHSA-N 0 0 476.042 4.082 50 0 JIAARN O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000012915719 556134959 /nfs/dbraw/zinc/13/49/59/556134959.db2.gz MONSUOZKXGRTJX-GGAORHGYSA-N 0 0 471.582 4.420 50 0 JIAARN Cc1ccc(CSCCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000024610544 556140731 /nfs/dbraw/zinc/14/07/31/556140731.db2.gz RLLLTCYJKOGWAI-UHFFFAOYSA-N 0 0 481.083 4.240 50 0 JIAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCSCc2ccc(Cl)cc2)CC1 ZINC000024611150 556140931 /nfs/dbraw/zinc/14/09/31/556140931.db2.gz YUBPAWMWSBQWRT-UHFFFAOYSA-N 0 0 481.083 4.240 50 0 JIAARN Cc1ccc(Cc2nsc(N3CCN(C(=O)NC45CC6CC(CC(C6)C4)C5)CC3)n2)cc1 ZINC000016514307 556141780 /nfs/dbraw/zinc/14/17/80/556141780.db2.gz QMXQWSVYQSNZKQ-UHFFFAOYSA-N 0 0 451.640 4.238 50 0 JIAARN C[C@@H]1CCCCN1c1nc(F)c2c(c1F)S(=O)(=O)CCN2Cc1cccc(Br)c1 ZINC000024615967 556142597 /nfs/dbraw/zinc/14/25/97/556142597.db2.gz ZMUZXSCPIBNLPP-CYBMUJFWSA-N 0 0 486.382 4.295 50 0 JIAARN Cc1nc2sc3c(c2c(N2CCN(Cc4nc(-c5ccccc5)no4)CC2)n1)CC[C@H](C)C3 ZINC000024660239 556144419 /nfs/dbraw/zinc/14/44/19/556144419.db2.gz PHLZDMIBIJNVSK-INIZCTEOSA-N 0 0 460.607 4.497 50 0 JIAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2)C1 ZINC000012928052 556145833 /nfs/dbraw/zinc/14/58/33/556145833.db2.gz NDDBZLGTXYFJBB-IRXDYDNUSA-N 0 0 470.620 4.048 50 0 JIAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000012928157 556146223 /nfs/dbraw/zinc/14/62/23/556146223.db2.gz PCLYERFIOPKXGN-JOCHJYFZSA-N 0 0 461.008 4.391 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCC(=O)c1ccc(C)s1 ZINC000012932189 556148469 /nfs/dbraw/zinc/14/84/69/556148469.db2.gz KSICWOFZIRAYAB-UHFFFAOYSA-N 0 0 464.609 4.231 50 0 JIAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2c3ccccc3[nH]c2-c2ccc(F)cc2)C1=O ZINC000012932814 556149019 /nfs/dbraw/zinc/14/90/19/556149019.db2.gz ZSMOAOYHRVUACI-MUUNZHRXSA-N 0 0 499.498 4.395 50 0 JIAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)NCCc1c[nH]c2ccccc12 ZINC000012934316 556150229 /nfs/dbraw/zinc/15/02/29/556150229.db2.gz YIKXSXKJIRUUMQ-UHFFFAOYSA-N 0 0 452.576 4.391 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)cc1 ZINC000012939348 556153410 /nfs/dbraw/zinc/15/34/10/556153410.db2.gz SAROFXFGPTUHEB-MRXNPFEDSA-N 0 0 480.512 4.131 50 0 JIAARN Cc1ccc(S(=O)(=O)C2(C(=O)Nc3nnc(Cc4ccccc4)s3)CCCC2)cc1C ZINC000024771551 556153574 /nfs/dbraw/zinc/15/35/74/556153574.db2.gz NUQIZZXWNZWMQD-UHFFFAOYSA-N 0 0 455.605 4.471 50 0 JIAARN COc1ccc(CCNC(=O)[C@@H](C)Sc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000012940704 556154646 /nfs/dbraw/zinc/15/46/46/556154646.db2.gz CSPRCUJBZNTYNC-QGZVFWFLSA-N 0 0 457.592 4.307 50 0 JIAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000012942439 556155683 /nfs/dbraw/zinc/15/56/83/556155683.db2.gz BFZAAHXXBRVAJX-HNNXBMFYSA-N 0 0 472.950 4.403 50 0 JIAARN O=c1[nH]c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2c3ccccc3oc21 ZINC000024812717 556156233 /nfs/dbraw/zinc/15/62/33/556156233.db2.gz ZSDFAEFMVUYACJ-UHFFFAOYSA-N 0 0 463.847 4.059 50 0 JIAARN O=C(CN(Cc1ccco1)Cc1cc2c(cc1Br)OCCO2)Nc1ccccc1 ZINC000024812405 556156236 /nfs/dbraw/zinc/15/62/36/556156236.db2.gz DGOWEYAPWFNDMI-UHFFFAOYSA-N 0 0 457.324 4.454 50 0 JIAARN CCOc1cc(C(=O)OCc2nnc(C(=O)NCc3ccc(F)cc3)s2)ccc1OCC(C)C ZINC000012944076 556156450 /nfs/dbraw/zinc/15/64/50/556156450.db2.gz HTPWQHTUGRCZQP-UHFFFAOYSA-N 0 0 487.553 4.398 50 0 JIAARN COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cc(Br)ccc1OC ZINC000016750503 556157217 /nfs/dbraw/zinc/15/72/17/556157217.db2.gz PBNBUVAGPSULJQ-IBGZPJMESA-N 0 0 458.308 4.146 50 0 JIAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@]12c1ccccc1N(Cc1ccccc1)C2=O ZINC000016751229 556157239 /nfs/dbraw/zinc/15/72/39/556157239.db2.gz XLHNFQKAVMCSLN-NDEPHWFRSA-N 0 0 450.494 4.449 50 0 JIAARN COc1cc(COC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc(Cl)c1OC(F)F ZINC000024830854 556158086 /nfs/dbraw/zinc/15/80/86/556158086.db2.gz GZHCVXDDMNLKTP-UHFFFAOYSA-N 0 0 454.809 4.487 50 0 JIAARN O=C(NCc1ccc(F)cc1)c1nnc(COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)s1 ZINC000012948035 556158663 /nfs/dbraw/zinc/15/86/63/556158663.db2.gz HJEOQAZVUCUBMJ-UHFFFAOYSA-N 0 0 464.522 4.324 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3ncnc4sccc43)cc2)cc1 ZINC000024835985 556158997 /nfs/dbraw/zinc/15/89/97/556158997.db2.gz WVEHDAVWWODSDL-UHFFFAOYSA-N 0 0 486.600 4.232 50 0 JIAARN COc1ccc(-c2cc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)ccc2OC(F)F)cc1 ZINC000024839094 556159629 /nfs/dbraw/zinc/15/96/29/556159629.db2.gz OAVHBQRRNWJUTN-UHFFFAOYSA-N 0 0 460.458 4.259 50 0 JIAARN COc1c(F)c(F)c(S(=O)(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c(F)c1F ZINC000024840740 556160002 /nfs/dbraw/zinc/16/00/02/556160002.db2.gz YYNUBZNMLTUIQQ-UHFFFAOYSA-N 0 0 489.468 4.480 50 0 JIAARN CN(CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)S(=O)(=O)c1ccccc1 ZINC000024841826 556160342 /nfs/dbraw/zinc/16/03/42/556160342.db2.gz LTXGNQYPJYUFGD-UHFFFAOYSA-N 0 0 491.491 4.217 50 0 JIAARN COc1ccc(N2C(=O)CC[C@H](C(=O)NOCc3ccccc3)[C@@H]2c2ccccc2OC)cc1 ZINC000012952732 556160829 /nfs/dbraw/zinc/16/08/29/556160829.db2.gz BIDKAPLOKDATHN-OZXSUGGESA-N 0 0 460.530 4.436 50 0 JIAARN O=C(Nc1cccc2ncccc21)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000012971667 556163489 /nfs/dbraw/zinc/16/34/89/556163489.db2.gz WBMNRWKJMMPVBO-HNNXBMFYSA-N 0 0 474.380 4.037 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2c3ccccc3CC[C@H]2C)c1 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556200115 /nfs/dbraw/zinc/20/01/15/556200115.db2.gz WJIHTHYQECPQCK-UHFFFAOYSA-N 0 0 480.615 4.471 50 0 JIAARN Cc1cc(NC(=O)c2c(F)cccc2F)n(-c2ncnc3c2cnn3-c2ccc(Cl)cc2)n1 ZINC000017011792 556201711 /nfs/dbraw/zinc/20/17/11/556201711.db2.gz GARHBHLGNIBDAL-UHFFFAOYSA-N 0 0 465.851 4.494 50 0 JIAARN COc1cccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2cccc(Cl)c2)c1 ZINC000017011917 556201938 /nfs/dbraw/zinc/20/19/38/556201938.db2.gz VFBVTKPTUQVDCG-UHFFFAOYSA-N 0 0 459.897 4.224 50 0 JIAARN COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000025173961 556202368 /nfs/dbraw/zinc/20/23/68/556202368.db2.gz NSBHFVHQXLAPAQ-QFIPXVFZSA-N 0 0 471.005 4.010 50 0 JIAARN CCOc1ccccc1-c1nnc(SCC(=O)NC2c3ccccc3-c3ccccc32)n1N ZINC000013010318 556202590 /nfs/dbraw/zinc/20/25/90/556202590.db2.gz IGIHHFZNUPFODE-UHFFFAOYSA-N 0 0 457.559 4.036 50 0 JIAARN CCCOc1c(Br)cc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1OC ZINC000013010880 556203267 /nfs/dbraw/zinc/20/32/67/556203267.db2.gz PSFHURMONSCBEY-UHFFFAOYSA-N 0 0 453.308 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Cc1ccc(CS(=O)(=O)c2cn(CC(=O)N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 ZINC000017041679 556208422 /nfs/dbraw/zinc/20/84/22/556208422.db2.gz OISPHGHFTXVPOD-UHFFFAOYSA-N 0 0 487.625 4.272 50 0 JIAARN Cc1ccc(S(=O)(=O)NC[C@H](Sc2nnnn2-c2cccc(Cl)c2)c2ccccc2)cc1 ZINC000013016818 556208906 /nfs/dbraw/zinc/20/89/06/556208906.db2.gz IQUKKQAXBDNILL-NRFANRHFSA-N 0 0 486.022 4.436 50 0 JIAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 ZINC000017045480 556210690 /nfs/dbraw/zinc/21/06/90/556210690.db2.gz WIALYVCRTKGXAS-DEOSSOPVSA-N 0 0 460.534 4.436 50 0 JIAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 ZINC000017045477 556210803 /nfs/dbraw/zinc/21/08/03/556210803.db2.gz WIALYVCRTKGXAS-XMMPIXPASA-N 0 0 460.534 4.436 50 0 JIAARN COc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)C2CC2)cc1 ZINC000013020288 556211193 /nfs/dbraw/zinc/21/11/93/556211193.db2.gz GGLKUZBDGHTRDR-XMMPIXPASA-N 0 0 470.635 4.289 50 0 JIAARN COc1ccc([C@@H]2CCCN2C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000013023448 556212607 /nfs/dbraw/zinc/21/26/07/556212607.db2.gz LVGNGKPXHSMREF-DEOSSOPVSA-N 0 0 498.601 4.160 50 0 JIAARN CCCCN1C(=O)CC[C@H](C(=O)NCCCn2cnc3ccccc32)[C@@H]1c1ccccc1OC ZINC000025400324 556213572 /nfs/dbraw/zinc/21/35/72/556213572.db2.gz UVUSTZWESLAJLS-LVXARBLLSA-N 0 0 462.594 4.331 50 0 JIAARN Cc1cc(NC(=O)Cc2cccc(C)c2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1 ZINC000017122894 556219905 /nfs/dbraw/zinc/21/99/05/556219905.db2.gz IDNVHODLMMMUER-UHFFFAOYSA-N 0 0 457.925 4.453 50 0 JIAARN Cc1ccc(-c2cc(NC(=O)CSc3nnc([C@H]4COc5ccccc5O4)n3C)on2)cc1 ZINC000013028741 556222796 /nfs/dbraw/zinc/22/27/96/556222796.db2.gz VUXCXZKZALZADJ-LJQANCHMSA-N 0 0 463.519 4.022 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3C(=O)[C@H](C)N(c4ccc(C)cc4)C3=O)[C@@H](c3cccs3)C2)o1 ZINC000013029995 556224472 /nfs/dbraw/zinc/22/44/72/556224472.db2.gz UGPMUIQIUFQNNQ-FXAWDEMLSA-N 0 0 476.558 4.493 50 0 JIAARN COc1ccc(NC(=O)COC(=O)C2C[C@H]3CCC[C@@H](C2)C32SCCS2)c(OC)c1 ZINC000017151556 556227702 /nfs/dbraw/zinc/22/77/02/556227702.db2.gz ZATFKZGOADEBQV-MQVJKMGUSA-N 0 0 451.610 4.188 50 0 JIAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000025662156 556228692 /nfs/dbraw/zinc/22/86/92/556228692.db2.gz SNVGMOYUJDUSMW-MRXNPFEDSA-N 0 0 480.790 4.403 50 0 JIAARN COc1ccc(S(=O)(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)cc1OC ZINC000025652612 556228837 /nfs/dbraw/zinc/22/88/37/556228837.db2.gz JZOPAZAEIYCAHX-QFIPXVFZSA-N 0 0 479.602 4.362 50 0 JIAARN CCOc1cc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)ccc1OC ZINC000013031816 556229320 /nfs/dbraw/zinc/22/93/20/556229320.db2.gz HRPGLWMOAWVRFV-GXDHUFHOSA-N 0 0 488.606 4.319 50 0 JIAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2c3ccccc3nc3c2CN(C)CC3)cc1 ZINC000025686135 556229805 /nfs/dbraw/zinc/22/98/05/556229805.db2.gz MMQBWAVQQKKNQZ-UHFFFAOYSA-N 0 0 492.645 4.428 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000013037816 556233154 /nfs/dbraw/zinc/23/31/54/556233154.db2.gz HDBLVBASUOIVKZ-UHFFFAOYSA-N 0 0 467.994 4.291 50 0 JIAARN O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000017191258 556236969 /nfs/dbraw/zinc/23/69/69/556236969.db2.gz BJWMUERZIMKDKM-UHFFFAOYSA-N 0 0 462.980 4.282 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)CC1 ZINC000013039404 556240086 /nfs/dbraw/zinc/24/00/86/556240086.db2.gz KSVVXBVHDOMQOQ-UHFFFAOYSA-N 0 0 479.602 4.075 50 0 JIAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C ZINC000026046089 556240207 /nfs/dbraw/zinc/24/02/07/556240207.db2.gz SDDGXXMISZVSSH-UHFFFAOYSA-N 0 0 482.606 4.072 50 0 JIAARN Cc1c(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)sc2nc3n(c(=O)c12)CCCCC3 ZINC000026040616 556240235 /nfs/dbraw/zinc/24/02/35/556240235.db2.gz PUEJLGLGTLUBLU-UHFFFAOYSA-N 0 0 460.939 4.274 50 0 JIAARN Cc1c(C(=O)N2C[C@H](C(=O)N(C)C)Oc3ccccc32)sc2nc(-c3ccco3)nc(C)c12 ZINC000026111358 556243212 /nfs/dbraw/zinc/24/32/12/556243212.db2.gz QPNGYKCNFDYKQX-GOSISDBHSA-N 0 0 462.531 4.064 50 0 JIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(cc(F)cc4F)s3)cc2)C1 ZINC000017244815 556245602 /nfs/dbraw/zinc/24/56/02/556245602.db2.gz KFMQEMWTWUHSCA-BETUJISGSA-N 0 0 465.547 4.493 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1 ZINC000013041129 556245928 /nfs/dbraw/zinc/24/59/28/556245928.db2.gz KFVHZHBGQBUINF-UHFFFAOYSA-N 0 0 456.999 4.277 50 0 JIAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)N(C)c3ccccc3)c3ccccc32)C[C@@H](C)O1 ZINC000017246438 556246577 /nfs/dbraw/zinc/24/65/77/556246577.db2.gz OCYQOGYNRWJNCW-RTBURBONSA-N 0 0 451.592 4.032 50 0 JIAARN C[C@@H]1CN(C(=O)Cn2cc(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)c3ccccc32)C[C@H](C)O1 ZINC000017246383 556246582 /nfs/dbraw/zinc/24/65/82/556246582.db2.gz NJKBNIVMJRVRIL-CALCHBBNSA-N 0 0 494.535 4.270 50 0 JIAARN CCCC(CCC)C(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2ccc(F)cc2)c(=O)[nH]1 ZINC000017269719 556249110 /nfs/dbraw/zinc/24/91/10/556249110.db2.gz RBKAWDUTYPCSKQ-UHFFFAOYSA-N 0 0 451.506 4.309 50 0 JIAARN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)cc3)cc2)c1C ZINC000013055707 556250176 /nfs/dbraw/zinc/25/01/76/556250176.db2.gz MLGMDGMCWGPZRE-KRWDZBQOSA-N 0 0 470.522 4.427 50 0 JIAARN O=C(Cn1cnc2sccc2c1=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000026129902 556250215 /nfs/dbraw/zinc/25/02/15/556250215.db2.gz JTVFVCUBDDBVAF-IBGZPJMESA-N 0 0 483.475 4.259 50 0 JIAARN COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CSc3cc(Cl)ccc3Cl)nc(=O)c12 ZINC000017285512 556250599 /nfs/dbraw/zinc/25/05/99/556250599.db2.gz GMZHPZHFAFCHOB-UHFFFAOYSA-N 0 0 473.359 4.086 50 0 JIAARN O=C(CSc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(F)cc1 ZINC000013055996 556250645 /nfs/dbraw/zinc/25/06/45/556250645.db2.gz AFCGKJGTCWNASK-UHFFFAOYSA-N 0 0 481.501 4.367 50 0 JIAARN Cc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c3)n2)cc1 ZINC000013056619 556251625 /nfs/dbraw/zinc/25/16/25/556251625.db2.gz XZSZWWIKZPRZSO-IRXDYDNUSA-N 0 0 471.604 4.169 50 0 JIAARN C[C@@H](Sc1ncc2ccccn21)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000026372011 556252801 /nfs/dbraw/zinc/25/28/01/556252801.db2.gz HUYQMKAGLUEVPQ-OAHLLOKOSA-N 0 0 479.027 4.282 50 0 JIAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)sc2c1CCC2 ZINC000017297549 556253094 /nfs/dbraw/zinc/25/30/94/556253094.db2.gz MWIZJHYFHWTULZ-UHFFFAOYSA-N 0 0 496.610 4.417 50 0 JIAARN Cc1cccc(N2C[C@@H](C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)CC2=O)c1C ZINC000013058531 556253917 /nfs/dbraw/zinc/25/39/17/556253917.db2.gz OIZJCJTXJWMWFK-FQEVSTJZSA-N 0 0 460.603 4.310 50 0 JIAARN CCOc1c(C)cc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)cc1C ZINC000017306998 556254428 /nfs/dbraw/zinc/25/44/28/556254428.db2.gz JLBKWPKZUGEGED-UHFFFAOYSA-N 0 0 497.621 4.182 50 0 JIAARN COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000026556549 556256765 /nfs/dbraw/zinc/25/67/65/556256765.db2.gz OMVNPHFONDMTGF-BVFVYWQFSA-N 0 0 493.629 4.276 50 0 JIAARN COC(=O)c1c2c(sc1NC(=O)COC(=O)CSc1ncnc3sccc31)CCCCC2 ZINC000013063015 556258995 /nfs/dbraw/zinc/25/89/95/556258995.db2.gz XQUMLZZMWJVSHC-UHFFFAOYSA-N 0 0 491.616 4.082 50 0 JIAARN CN(Cc1ccccc1)C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc21 ZINC000017334186 556259091 /nfs/dbraw/zinc/25/90/91/556259091.db2.gz KJQWTTKIMKMLKZ-UHFFFAOYSA-N 0 0 465.506 4.153 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000017357869 556259439 /nfs/dbraw/zinc/25/94/39/556259439.db2.gz GTRSFOFIPZTKSK-UHFFFAOYSA-N 0 0 498.048 4.119 50 0 JIAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000013063277 556259589 /nfs/dbraw/zinc/25/95/89/556259589.db2.gz UARQTHNNIVDRFV-KUHUBIRLSA-N 0 0 459.395 4.472 50 0 JIAARN O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000017529456 556261817 /nfs/dbraw/zinc/26/18/17/556261817.db2.gz WFXLQVKPZSVLLF-AWEZNQCLSA-N 0 0 490.430 4.323 50 0 JIAARN Cc1cc(=O)oc2cc(OCC(=O)O[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)ccc12 ZINC000013068375 556264453 /nfs/dbraw/zinc/26/44/53/556264453.db2.gz KGNMUPJJQGWMHI-LBPRGKRZSA-N 0 0 450.274 4.357 50 0 JIAARN Cc1cccc(NC(=O)CNc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)c1C ZINC000013068744 556265029 /nfs/dbraw/zinc/26/50/29/556265029.db2.gz RXVBQJVVLSXMDG-UHFFFAOYSA-N 0 0 459.612 4.316 50 0 JIAARN Cc1ccc(OCCOC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)cc1 ZINC000013069114 556265657 /nfs/dbraw/zinc/26/56/57/556265657.db2.gz PAPBRXLFSROMLS-UHFFFAOYSA-N 0 0 459.951 4.363 50 0 JIAARN COc1cccc([C@@H](CNS(=O)(=O)c2cccc(C(C)=O)c2)c2c[nH]c3ccccc32)c1OC ZINC000013069401 556266156 /nfs/dbraw/zinc/26/61/56/556266156.db2.gz LDIWOOTZKZLYKU-HSZRJFAPSA-N 0 0 478.570 4.498 50 0 JIAARN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000017886288 556269621 /nfs/dbraw/zinc/26/96/21/556269621.db2.gz ZWXHENJJFBRMMR-ZLNRFVROSA-N 0 0 464.905 4.408 50 0 JIAARN COc1cc(Br)c(CC(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1OC ZINC000017894866 556270328 /nfs/dbraw/zinc/27/03/28/556270328.db2.gz DACQXJCDEZQPSM-CQSZACIVSA-N 0 0 492.366 4.418 50 0 JIAARN COc1cc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)ccc1OCc1ccccc1 ZINC000027021637 556271037 /nfs/dbraw/zinc/27/10/37/556271037.db2.gz UQLRMBVNVQYBJX-XPKUZYLUSA-N 0 0 467.550 4.457 50 0 JIAARN Cc1ccc(NC(=O)Cn2c(=O)c3c(ncn3CCC(C)C)n(Cc3ccccc3)c2=O)cc1Cl ZINC000013072450 556271301 /nfs/dbraw/zinc/27/13/01/556271301.db2.gz CTWOKBWVEIKRKZ-UHFFFAOYSA-N 0 0 493.995 4.055 50 0 JIAARN CC(=O)c1ccccc1OC(=O)CCN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000017917986 556271399 /nfs/dbraw/zinc/27/13/99/556271399.db2.gz YGCOJPINOCDFMD-LEABRGHYSA-N 0 0 465.505 4.077 50 0 JIAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CCN1C(=O)Cc2ccccc2C1=O ZINC000013073026 556272075 /nfs/dbraw/zinc/27/20/75/556272075.db2.gz BLDVLVQKEMFWGP-UHFFFAOYSA-N 0 0 456.542 4.229 50 0 JIAARN Cc1ccccc1N1CCN(C(=O)C2CCN(C(=O)CSc3nc4ccccc4s3)CC2)CC1 ZINC000013074007 556274510 /nfs/dbraw/zinc/27/45/10/556274510.db2.gz MZQRVEVRFNEXON-UHFFFAOYSA-N 0 0 494.686 4.284 50 0 JIAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Cc1cc(OC)c(OC)c(OC)c1 ZINC000018004408 556275402 /nfs/dbraw/zinc/27/54/02/556275402.db2.gz OXLZBYSDEKGHNC-UHFFFAOYSA-N 0 0 469.365 4.439 50 0 JIAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000027361107 556276937 /nfs/dbraw/zinc/27/69/37/556276937.db2.gz SNFNMLCSPVWLCA-NDEPHWFRSA-N 0 0 486.616 4.248 50 0 JIAARN Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)c1C ZINC000018042188 556279068 /nfs/dbraw/zinc/27/90/68/556279068.db2.gz VNPQQTCAXDXKKK-FQEVSTJZSA-N 0 0 479.602 4.054 50 0 JIAARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)ccc1O ZINC000018068119 556283190 /nfs/dbraw/zinc/28/31/90/556283190.db2.gz AUPQKCUGFNPISI-ZRBLBEILSA-N 0 0 464.905 4.414 50 0 JIAARN O=C(NC1CCCCC1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 ZINC000027521737 556285149 /nfs/dbraw/zinc/28/51/49/556285149.db2.gz WWTPULRFTMXDFD-UNOMPAQXSA-N 0 0 471.351 4.398 50 0 JIAARN COc1cc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccccc2Cl)cc(OC)c1OC 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ZINC000008661759 569592683 /nfs/dbraw/zinc/59/26/83/569592683.db2.gz UQUFDEPLDKLHPL-QFIPXVFZSA-N 0 0 483.553 4.012 50 0 JIAARN Cc1ccc(C)c(Cn2c(CN(Cc3ccccc3)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000057015990 569593864 /nfs/dbraw/zinc/59/38/64/569593864.db2.gz NKQHRNPBECWKCE-UHFFFAOYSA-N 0 0 493.611 4.291 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000008705248 569594059 /nfs/dbraw/zinc/59/40/59/569594059.db2.gz WIQJWHCASXWPBI-UHFFFAOYSA-N 0 0 482.558 4.081 50 0 JIAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCN(c2cccc(C)c2C)CC1 ZINC000057058630 569594117 /nfs/dbraw/zinc/59/41/17/569594117.db2.gz JJQBHRGUWIVISB-GOSISDBHSA-N 0 0 466.557 4.250 50 0 JIAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057050758 569594127 /nfs/dbraw/zinc/59/41/27/569594127.db2.gz HHSXDOXFCYXIED-UHFFFAOYSA-N 0 0 494.901 4.387 50 0 JIAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057054064 569594131 /nfs/dbraw/zinc/59/41/31/569594131.db2.gz BBZVUBGIYIYITL-INIZCTEOSA-N 0 0 488.510 4.431 50 0 JIAARN C[C@@H](Sc1c(Cl)cccc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008705757 569594198 /nfs/dbraw/zinc/59/41/98/569594198.db2.gz QXEHDDGTXRBIGQ-CYBMUJFWSA-N 0 0 475.419 4.134 50 0 JIAARN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)Nc1nnc(-c2ccccc2)o1 ZINC000008710509 569595803 /nfs/dbraw/zinc/59/58/03/569595803.db2.gz GPYBNXBUKKFNRH-UHFFFAOYSA-N 0 0 461.551 4.038 50 0 JIAARN O=C(CN1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1)Nc1ccccc1Cl ZINC000057292107 569596002 /nfs/dbraw/zinc/59/60/02/569596002.db2.gz SSXWTZXNYMIBCT-UHFFFAOYSA-N 0 0 467.978 4.029 50 0 JIAARN O=C(CN1CCN(C(=O)c2ccccc2SC[C@@H]2CCCO2)CC1)Nc1ccccc1Cl ZINC000057292071 569596019 /nfs/dbraw/zinc/59/60/19/569596019.db2.gz JGBIFIANUPFKOE-SFHVURJKSA-N 0 0 474.026 4.008 50 0 JIAARN CS(=O)(=O)NC1CCN([C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000057297130 569596070 /nfs/dbraw/zinc/59/60/70/569596070.db2.gz DCOIJKMHWOHOTE-IBGZPJMESA-N 0 0 489.947 4.052 50 0 JIAARN Cc1c(N2C(=O)[C@@H](C)S[C@H]2c2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C ZINC000008716644 569596529 /nfs/dbraw/zinc/59/65/29/569596529.db2.gz RRUQHTBISJOIFK-SZNDQCEHSA-N 0 0 458.381 4.414 50 0 JIAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)NC4(CCC(CC)CC4)C3=O)cc2)cc1 ZINC000008718784 569597200 /nfs/dbraw/zinc/59/72/00/569597200.db2.gz SIYROXPDBDAMQC-UHFFFAOYSA-N 0 0 492.576 4.167 50 0 JIAARN Cc1ccc(-c2nn(CN3CCc4cc(S(=O)(=O)N5CCCCC5)ccc43)c(=S)n2C)cc1 ZINC000008721171 569598433 /nfs/dbraw/zinc/59/84/33/569598433.db2.gz KWVUSHXGGMDNRG-UHFFFAOYSA-N 0 0 483.663 4.121 50 0 JIAARN COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)ccc1OCC(=O)N1CCCC1 ZINC000008721495 569598499 /nfs/dbraw/zinc/59/84/99/569598499.db2.gz QBQWTJTUXVAUKK-SANMLTNESA-N 0 0 457.530 4.468 50 0 JIAARN COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)ccc1OCC(=O)N1CCCC1 ZINC000008721494 569598535 /nfs/dbraw/zinc/59/85/35/569598535.db2.gz QBQWTJTUXVAUKK-AREMUKBSSA-N 0 0 457.530 4.468 50 0 JIAARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000057332109 569598933 /nfs/dbraw/zinc/59/89/33/569598933.db2.gz ZCKRUCFWDNWGQR-UHFFFAOYSA-N 0 0 455.027 4.478 50 0 JIAARN CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)[nH]c(=O)c12 ZINC000008725889 569600539 /nfs/dbraw/zinc/60/05/39/569600539.db2.gz IGAZPAKWLFVYJQ-OAHLLOKOSA-N 0 0 486.663 4.449 50 0 JIAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)NC[C@@H]1COc2ccccc2O1 ZINC000008725965 569600547 /nfs/dbraw/zinc/60/05/47/569600547.db2.gz MHQIHHVGLAUOAZ-LJQANCHMSA-N 0 0 493.976 4.031 50 0 JIAARN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1OCC ZINC000057415830 569601298 /nfs/dbraw/zinc/60/12/98/569601298.db2.gz LUOVGNCLYAVOPG-RUZDIDTESA-N 0 0 461.562 4.046 50 0 JIAARN COc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1 ZINC000057416964 569601407 /nfs/dbraw/zinc/60/14/07/569601407.db2.gz FJIOSSDKZUMSQZ-UHFFFAOYSA-N 0 0 455.536 4.385 50 0 JIAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1OC ZINC000057425606 569601493 /nfs/dbraw/zinc/60/14/93/569601493.db2.gz PACHGCYFCAUEPG-QGZVFWFLSA-N 0 0 457.621 4.398 50 0 JIAARN COc1ccccc1Cn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000057425625 569601525 /nfs/dbraw/zinc/60/15/25/569601525.db2.gz NYFDPFMFOZZAPT-UHFFFAOYSA-N 0 0 455.536 4.385 50 0 JIAARN O=C(c1ccccc1)[C@@H]1[C@H]2CCCN2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000059487379 569605290 /nfs/dbraw/zinc/60/52/90/569605290.db2.gz WLWRWWMRVLYYQB-ATRCONBKSA-N 0 0 483.955 4.355 50 0 biogenic JIAARN CCCCOc1ccc(CNC(=O)CC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000032974321 569605495 /nfs/dbraw/zinc/60/54/95/569605495.db2.gz SHENNBDUABASQU-UHFFFAOYSA-N 0 0 498.620 4.450 50 0 biogenic JIAARN COc1cc(C(=O)N2CCC(CC(=O)NCCc3c[nH]c4ccc(C)cc34)CC2)cc(OC)c1OC ZINC000032974291 569605517 /nfs/dbraw/zinc/60/55/17/569605517.db2.gz JUOQFMBMIAXFQX-UHFFFAOYSA-N 0 0 493.604 4.103 50 0 biogenic JIAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)Cc2ccccc2)c1C ZINC000032974570 569605595 /nfs/dbraw/zinc/60/55/95/569605595.db2.gz LLAQDRSTAXPIFL-UHFFFAOYSA-N 0 0 484.574 4.069 50 0 JIAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000032975668 569606281 /nfs/dbraw/zinc/60/62/81/569606281.db2.gz GDGYOOYMVHVHBH-OALUTQOASA-N 0 0 480.508 4.490 50 0 JIAARN COc1cccc(NC(=O)N2CCc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)ccc32)c1 ZINC000032978043 569606509 /nfs/dbraw/zinc/60/65/09/569606509.db2.gz BYKMMIJHRQGFTH-UHFFFAOYSA-N 0 0 457.530 4.429 50 0 JIAARN CCN(CC)C(=O)N1CCC(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)CC1 ZINC000059759576 569607679 /nfs/dbraw/zinc/60/76/79/569607679.db2.gz JLLOCBRDYBTTMM-UHFFFAOYSA-N 0 0 450.583 4.071 50 0 JIAARN COC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F ZINC000060100833 569608356 /nfs/dbraw/zinc/60/83/56/569608356.db2.gz GIDCCPVUXFRMOC-NRFANRHFSA-N 0 0 474.483 4.091 50 0 JIAARN CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000060276657 569608608 /nfs/dbraw/zinc/60/86/08/569608608.db2.gz GKKUTGCIIMTDTO-SFHVURJKSA-N 0 0 450.505 4.440 50 0 JIAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000061719146 569609074 /nfs/dbraw/zinc/60/90/74/569609074.db2.gz WJWYLSUAKKGIBJ-RUZDIDTESA-N 0 0 458.518 4.249 50 0 JIAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)N1CCN(c2cccc(C)c2C)CC1 ZINC000061872424 569609289 /nfs/dbraw/zinc/60/92/89/569609289.db2.gz GLTYHTDLBFDNEJ-KRWDZBQOSA-N 0 0 468.985 4.374 50 0 JIAARN O=C(CSCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCc1ccccc1Cl ZINC000032987143 569609299 /nfs/dbraw/zinc/60/92/99/569609299.db2.gz ZHWMZHWIJUOEAW-UHFFFAOYSA-N 0 0 450.948 4.133 50 0 JIAARN CC(C)Oc1ccc(CNC(=O)CSCc2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000032987232 569609382 /nfs/dbraw/zinc/60/93/82/569609382.db2.gz HOPNMIHJIKDYBX-UHFFFAOYSA-N 0 0 456.593 4.127 50 0 JIAARN CC(C)Oc1ccc(CNC(=O)CSCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000032987285 569609385 /nfs/dbraw/zinc/60/93/85/569609385.db2.gz ZQTIYYXXRHQSGY-UHFFFAOYSA-N 0 0 474.583 4.266 50 0 JIAARN Cc1ccccc1NC(=O)c1nnc(CSCC(=O)N[C@@H](C)CCc2ccccc2)s1 ZINC000032987319 569609435 /nfs/dbraw/zinc/60/94/35/569609435.db2.gz UHOIDJVAIGOJDV-KRWDZBQOSA-N 0 0 454.621 4.470 50 0 JIAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000032991007 569609950 /nfs/dbraw/zinc/60/99/50/569609950.db2.gz IPDKACSNPNYWEJ-UHFFFAOYSA-N 0 0 462.593 4.229 50 0 JIAARN Cc1cccc(N2CCN(C(=O)CCCc3nnc(C(=O)Nc4ccccc4)s3)C[C@@H]2C)c1 ZINC000032995271 569610115 /nfs/dbraw/zinc/61/01/15/569610115.db2.gz QUFXHSIOJIADPC-IBGZPJMESA-N 0 0 463.607 4.159 50 0 JIAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)Nc1nnc([C@@H]3CCCO3)s1)COC2=O ZINC000062001680 569610126 /nfs/dbraw/zinc/61/01/26/569610126.db2.gz PJTUTBYPBJUETP-BNXPMYBGSA-N 0 0 487.578 4.293 50 0 biogenic JIAARN O=C(CCCc1nnc(C(=O)Nc2cccc(F)c2)s1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000032995413 569610261 /nfs/dbraw/zinc/61/02/61/569610261.db2.gz MYJVGITWRJXCRX-UHFFFAOYSA-N 0 0 487.988 4.254 50 0 JIAARN Cc1cc(C)cc(NC(=O)N2CCN(c3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)c1 ZINC000032996146 569610486 /nfs/dbraw/zinc/61/04/86/569610486.db2.gz JSMBIDDRERIIMU-UHFFFAOYSA-N 0 0 474.590 4.097 50 0 JIAARN CCSc1nnc2c(n1)O[C@@H](c1cccc(OC)c1OC)N(C(C)=O)c1ccc(F)cc1-2 ZINC000032997848 569611819 /nfs/dbraw/zinc/61/18/19/569611819.db2.gz SJMKWIQGMHYXCX-NRFANRHFSA-N 0 0 456.499 4.251 50 0 JIAARN COc1cc(C(=O)NCC(=O)N[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000062606732 569613012 /nfs/dbraw/zinc/61/30/12/569613012.db2.gz HKBPUOJHQVPDCX-SFHVURJKSA-N 0 0 482.499 4.365 50 0 JIAARN COc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCc4ccccc4OC)cc3)n2)cc1 ZINC000032998861 569613076 /nfs/dbraw/zinc/61/30/76/569613076.db2.gz KLTKLRYWQLYSHQ-UHFFFAOYSA-N 0 0 473.554 4.331 50 0 JIAARN O=C(NC[C@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)C1)Nc1cccc(F)c1 ZINC000062625908 569613482 /nfs/dbraw/zinc/61/34/82/569613482.db2.gz YGQRVRJHXXSTBF-HXUWFJFHSA-N 0 0 488.563 4.283 50 0 JIAARN Cc1cc(=O)c(C(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)nn1-c1ccccc1C(F)(F)F ZINC000062633073 569613939 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WBZQCGCHFGJSQB-UHFFFAOYSA-N 0 0 457.574 4.132 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccc(C)cc1 ZINC000067237060 569681453 /nfs/dbraw/zinc/68/14/53/569681453.db2.gz ZPKJPEYKCWDJPX-UHFFFAOYSA-N 0 0 476.558 4.238 50 0 JIAARN COc1cc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(C)cc2)cc(OC)c1OC ZINC000067237207 569681483 /nfs/dbraw/zinc/68/14/83/569681483.db2.gz WQYXDPQYUGTBRJ-UHFFFAOYSA-N 0 0 494.573 4.087 50 0 JIAARN CCN(CC)C(=O)CN1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)CC1 ZINC000035349156 569681518 /nfs/dbraw/zinc/68/15/18/569681518.db2.gz APPMMGDGYVEMKA-UHFFFAOYSA-N 0 0 464.997 4.181 50 0 JIAARN Cc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccc(F)cc4Cl)ccn3n2)cc1C ZINC000067260892 569682651 /nfs/dbraw/zinc/68/26/51/569682651.db2.gz KIMAUABKVXETGZ-UHFFFAOYSA-N 0 0 452.917 4.279 50 0 JIAARN COc1ccc([C@H](C)NC(=O)CCn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)cc1OC ZINC000067260912 569682743 /nfs/dbraw/zinc/68/27/43/569682743.db2.gz NBGIORPDDDZYRX-IBGZPJMESA-N 0 0 474.561 4.065 50 0 JIAARN Cc1cccc(N2CCN(c3c(C(=O)N4CCOCC4)cnc4ccc(Cl)cc43)CC2)c1C ZINC000067288053 569684824 /nfs/dbraw/zinc/68/48/24/569684824.db2.gz RHZGBFYJEAEVQM-UHFFFAOYSA-N 0 0 464.997 4.304 50 0 JIAARN O=C(Cn1cc(-c2nc(-c3ccc(Br)cc3)no2)ccc1=O)NCCCc1ccccc1 ZINC000067289304 569685041 /nfs/dbraw/zinc/68/50/41/569685041.db2.gz IIHSJHYKLCXNPR-UHFFFAOYSA-N 0 0 493.361 4.077 50 0 JIAARN COc1ccccc1N1CCN(C(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)CC1 ZINC000067289725 569685082 /nfs/dbraw/zinc/68/50/82/569685082.db2.gz LUCDZEFLOBRPHB-UHFFFAOYSA-N 0 0 487.629 4.463 50 0 JIAARN CCOc1ccc(-c2cc3c(SCC(=O)NCCc4ccc(OC)c(OC)c4)nccn3n2)cc1 ZINC000067290266 569685101 /nfs/dbraw/zinc/68/51/01/569685101.db2.gz PJZVDKZYDAUUNZ-UHFFFAOYSA-N 0 0 492.601 4.263 50 0 JIAARN CCN(C(=O)CSc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1OC)CC2)c1cccc(C)c1 ZINC000067291258 569685513 /nfs/dbraw/zinc/68/55/13/569685513.db2.gz MVNOPJYSAQBUBJ-UHFFFAOYSA-N 0 0 478.618 4.203 50 0 JIAARN Cc1cc2nc(SCC(=O)NCc3cccc(Br)c3)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067299613 569686416 /nfs/dbraw/zinc/68/64/16/569686416.db2.gz IMPJJARAWIKWBR-UHFFFAOYSA-N 0 0 477.428 4.250 50 0 JIAARN Cc1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(Cl)cc2)c(Br)c1 ZINC000067300710 569686546 /nfs/dbraw/zinc/68/65/46/569686546.db2.gz CNCRKIKNFZMWSR-UHFFFAOYSA-N 0 0 490.785 4.117 50 0 JIAARN Cc1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(Cl)c2)c(Br)c1 ZINC000067301778 569686741 /nfs/dbraw/zinc/68/67/41/569686741.db2.gz FUMBRBOAOIVNJX-UHFFFAOYSA-N 0 0 490.785 4.117 50 0 JIAARN O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1cc(F)cc(F)c1 ZINC000067318544 569687099 /nfs/dbraw/zinc/68/70/99/569687099.db2.gz KUZQCLUGNIEYAM-UHFFFAOYSA-N 0 0 459.412 4.030 50 0 JIAARN Cc1c(C(=O)Nc2ccc(C)cc2Br)nnn1CC(=O)Nc1ccc(C)c(C)c1 ZINC000067322256 569687321 /nfs/dbraw/zinc/68/73/21/569687321.db2.gz CWJYSPBIEHZKGP-UHFFFAOYSA-N 0 0 456.344 4.165 50 0 JIAARN COc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(C)c(C)c3)c2=O)cc1Cl ZINC000035396785 569687609 /nfs/dbraw/zinc/68/76/09/569687609.db2.gz PHKIFGZMJKCLQU-UHFFFAOYSA-N 0 0 488.993 4.215 50 0 JIAARN COc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2CCc2cccs2)cc1OC ZINC000067689541 569689610 /nfs/dbraw/zinc/68/96/10/569689610.db2.gz VJXUAEJNYKZOLD-UHFFFAOYSA-N 0 0 495.626 4.126 50 0 JIAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc(Br)s3)CC1)c1cccn1-2 ZINC000035399353 569689850 /nfs/dbraw/zinc/68/98/50/569689850.db2.gz QENLTFZZWZQQHQ-UHFFFAOYSA-N 0 0 494.436 4.415 50 0 biogenic JIAARN CC(=O)Nc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)c1 ZINC000067689774 569690247 /nfs/dbraw/zinc/69/02/47/569690247.db2.gz PHQQSNFRVLWFGY-UHFFFAOYSA-N 0 0 482.562 4.335 50 0 JIAARN COc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)cc(OC)c1OC ZINC000067689791 569690291 /nfs/dbraw/zinc/69/02/91/569690291.db2.gz LFJZYVQIJROQJK-UHFFFAOYSA-N 0 0 497.598 4.263 50 0 JIAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(CC(=O)NCc4ccc(C)cc4)c3c2=O)cc1 ZINC000035400017 569690412 /nfs/dbraw/zinc/69/04/12/569690412.db2.gz GTPLPUIPGJGGEY-UHFFFAOYSA-N 0 0 480.568 4.341 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)cc1 ZINC000067689913 569690597 /nfs/dbraw/zinc/69/05/97/569690597.db2.gz YHGYNQAZHGRJBN-UHFFFAOYSA-N 0 0 483.546 4.163 50 0 JIAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccccc2F)c1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000067694866 569690727 /nfs/dbraw/zinc/69/07/27/569690727.db2.gz FOHHXMUZIYHAOH-UHFFFAOYSA-N 0 0 477.439 4.070 50 0 JIAARN O=C(c1csc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1)N1CCCC1 ZINC000035405011 569691732 /nfs/dbraw/zinc/69/17/32/569691732.db2.gz LBGMGUPVGWTIMR-UHFFFAOYSA-N 0 0 495.670 4.080 50 0 JIAARN O=C(Cn1c(=O)n2nc(-c3cccc(F)c3)nc2c2ccccc21)c1ccc(Br)cc1 ZINC000069321328 569692585 /nfs/dbraw/zinc/69/25/85/569692585.db2.gz FAOUVLSTLCGDKT-UHFFFAOYSA-N 0 0 477.293 4.496 50 0 JIAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCC4)cs3)CC2)c(C)c1 ZINC000035424412 569693158 /nfs/dbraw/zinc/69/31/58/569693158.db2.gz RTXBKGJFQZFEAK-UHFFFAOYSA-N 0 0 489.663 4.030 50 0 JIAARN C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1cc(Cl)ccc1Cl ZINC000069508705 569693188 /nfs/dbraw/zinc/69/31/88/569693188.db2.gz JKRAINRERUDJPU-GIPWTMENSA-N 0 0 451.331 4.493 50 0 JIAARN CCOc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nc4ccccc4n3c2=O)cc1 ZINC000035424681 569693259 /nfs/dbraw/zinc/69/32/59/569693259.db2.gz KJCIZULEKGCNAK-UHFFFAOYSA-N 0 0 469.501 4.182 50 0 JIAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3-c3nc(=O)c(-c4ccc(C)c(C)c4)nn3[C@H]21 ZINC000069701056 569693589 /nfs/dbraw/zinc/69/35/89/569693589.db2.gz QDDDKDFBMJYLRV-AREMUKBSSA-N 0 0 466.497 4.127 50 0 JIAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC000069948222 569694121 /nfs/dbraw/zinc/69/41/21/569694121.db2.gz WWQYDOMNFBSGDN-SFHVURJKSA-N 0 0 470.476 4.492 50 0 JIAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C)cc1C)C(=O)[C@H]1CCCCN21 ZINC000035445681 569695632 /nfs/dbraw/zinc/69/56/32/569695632.db2.gz WYSBBGNINRHGTL-HSZRJFAPSA-N 0 0 462.594 4.130 50 0 JIAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CCc2ccccc2)c1=O)Nc1ccc(F)cc1F ZINC000071326925 569696441 /nfs/dbraw/zinc/69/64/41/569696441.db2.gz LVKNTBRLWHLEBH-UHFFFAOYSA-N 0 0 475.451 4.069 50 0 JIAARN CCc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(C)cc2Br)c1C ZINC000071327004 569696482 /nfs/dbraw/zinc/69/64/82/569696482.db2.gz FLRNEFOFROUASI-UHFFFAOYSA-N 0 0 456.344 4.111 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(N3CCC([N@H+](C)CCCOC(C)C)CC3)c(C(=O)[O-])c2)cc1 ZINC000035450857 569696729 /nfs/dbraw/zinc/69/67/29/569696729.db2.gz MAZBRLIBRXEMJY-UHFFFAOYSA-N 0 0 483.609 4.361 50 0 JIAARN CC(C)c1noc(-c2ccc(-n3cnc(C(=O)NCc4cccc(C(F)(F)F)c4)c3)nc2)n1 ZINC000071768328 569697477 /nfs/dbraw/zinc/69/74/77/569697477.db2.gz KRBRZBJQSSXAHP-UHFFFAOYSA-N 0 0 456.428 4.390 50 0 JIAARN CCCOc1ccc(CNC(=O)c2cn(-c3ncccc3-c3nc(C(C)(C)C)no3)cn2)cc1 ZINC000071768606 569697608 /nfs/dbraw/zinc/69/76/08/569697608.db2.gz ZIEOMIHKKARVKR-UHFFFAOYSA-N 0 0 460.538 4.334 50 0 JIAARN C[C@H](Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)N1C(=O)c2ccccc2C1=O ZINC000071770425 569697769 /nfs/dbraw/zinc/69/77/69/569697769.db2.gz JSSQMVHQEZTSNC-MRXNPFEDSA-N 0 0 481.943 4.499 50 0 JIAARN CC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)N4CCN(c5ccccn5)CC4)cc3)ccc21 ZINC000035514548 569698746 /nfs/dbraw/zinc/69/87/46/569698746.db2.gz BJYNMBYRUTTYKQ-UHFFFAOYSA-N 0 0 454.574 4.256 50 0 JIAARN CCOc1cccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccc(OC)cc2)c1 ZINC000035527348 569699206 /nfs/dbraw/zinc/69/92/06/569699206.db2.gz XYMDCFXCNVAQPV-MUUNZHRXSA-N 0 0 458.558 4.368 50 0 JIAARN CCOc1ccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000035527374 569699213 /nfs/dbraw/zinc/69/92/13/569699213.db2.gz UGCRMOURMAICAP-MUUNZHRXSA-N 0 0 458.558 4.368 50 0 JIAARN CCOc1ccccc1N1CCN(C(=O)CSc2nccnc2Oc2ccc(C)cc2)CC1 ZINC000035527704 569699353 /nfs/dbraw/zinc/69/93/53/569699353.db2.gz UULZNDJQDZEPHO-UHFFFAOYSA-N 0 0 464.591 4.417 50 0 JIAARN CCN(CCCNC(=O)CCc1nnc2n1c1ccsc1c(=O)n2CC(C)C)c1cccc(C)c1 ZINC000035528558 569699765 /nfs/dbraw/zinc/69/97/65/569699765.db2.gz OSGSQGAYRIYHAR-UHFFFAOYSA-N 0 0 494.665 4.036 50 0 JIAARN CCCCCn1c2nnc(CCC(=O)NCc3ccccc3Cl)n2c2ccsc2c1=O ZINC000035528621 569699822 /nfs/dbraw/zinc/69/98/22/569699822.db2.gz BWLDPWLOBFDCPX-UHFFFAOYSA-N 0 0 457.987 4.198 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc2n1c1ccsc1c(=O)n2CC(C)C ZINC000035531787 569700466 /nfs/dbraw/zinc/70/04/66/569700466.db2.gz KTICOWBJGOGCBP-UHFFFAOYSA-N 0 0 477.999 4.155 50 0 JIAARN Cc1ccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3CCC(C)C)c(C)c1 ZINC000035531723 569700474 /nfs/dbraw/zinc/70/04/74/569700474.db2.gz HKCBTBMTZOWYBB-UHFFFAOYSA-N 0 0 455.609 4.499 50 0 JIAARN Cc1cccc(N2C[C@H](C(=O)Nc3cccc(NC(=O)NCc4ccncc4)c3)CC2=O)c1C ZINC000072232419 569700940 /nfs/dbraw/zinc/70/09/40/569700940.db2.gz OECLXBRNQZGDCV-HXUWFJFHSA-N 0 0 457.534 4.012 50 0 JIAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCSCC4)sc32)cc1Cl ZINC000035532932 569701017 /nfs/dbraw/zinc/70/10/17/569701017.db2.gz QBVBEZZUXYTXLW-UHFFFAOYSA-N 0 0 452.030 4.332 50 0 JIAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(C(C)C)cc1)cc(C(=O)c1ccncc1)c2=O ZINC000035535192 569701718 /nfs/dbraw/zinc/70/17/18/569701718.db2.gz PPHLRJFXZFDGQD-UHFFFAOYSA-N 0 0 485.540 4.407 50 0 JIAARN CCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(C)cc2)C1 ZINC000072314381 569701955 /nfs/dbraw/zinc/70/19/55/569701955.db2.gz MHSOXYFTLUUAIZ-XMMPIXPASA-N 0 0 483.615 4.297 50 0 JIAARN CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1OCC ZINC000072330907 569702688 /nfs/dbraw/zinc/70/26/88/569702688.db2.gz YKPKSILDAOHQRG-UHFFFAOYSA-N 0 0 454.292 4.110 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccccc4CC)C3)c(C)s2)no1 ZINC000035555604 569702977 /nfs/dbraw/zinc/70/29/77/569702977.db2.gz FUFKIHZIEBMKHF-QGZVFWFLSA-N 0 0 488.635 4.271 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(C)c(C)c4)C3)c(C)s2)no1 ZINC000035555666 569703043 /nfs/dbraw/zinc/70/30/43/569703043.db2.gz QYZVTRMZXSJGCU-KRWDZBQOSA-N 0 0 488.635 4.325 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccc(C)c4)C3)c(C)s2)no1 ZINC000035555703 569703106 /nfs/dbraw/zinc/70/31/06/569703106.db2.gz GPCYEEWOSVQPFM-MRXNPFEDSA-N 0 0 474.608 4.017 50 0 JIAARN O=S(=O)(NCc1cccc(Br)c1)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557319 569703277 /nfs/dbraw/zinc/70/32/77/569703277.db2.gz 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Cc1nn(-c2ccccc2)c2sc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc12 ZINC000089568289 569719001 /nfs/dbraw/zinc/71/90/01/569719001.db2.gz CYUUEEBSFDUIQD-IBGZPJMESA-N 0 0 452.605 4.260 50 0 JIAARN COc1ccc(CCN2Cc3cc(NC(=O)COc4ccccc4)ccc3O[C@H](C)C2=O)cc1 ZINC000035884704 569720275 /nfs/dbraw/zinc/72/02/75/569720275.db2.gz ZSXSYNMWOYABKR-LJQANCHMSA-N 0 0 460.530 4.065 50 0 JIAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000089958927 569720623 /nfs/dbraw/zinc/72/06/23/569720623.db2.gz GGIQZGSLDNEBLI-UHFFFAOYSA-N 0 0 479.364 4.098 50 0 JIAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000090613830 569721068 /nfs/dbraw/zinc/72/10/68/569721068.db2.gz OCOCMGDTEMSIFJ-NRFANRHFSA-N 0 0 483.417 4.382 50 0 JIAARN CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000095100958 569721746 /nfs/dbraw/zinc/72/17/46/569721746.db2.gz IHMYPKRKEWWHOR-XMMPIXPASA-N 0 0 467.997 4.466 50 0 JIAARN Cc1cc(N2CCN(C(=O)c3cccc(Br)c3)CC2)nc(-c2cccc(F)c2)n1 ZINC000035890281 569721787 /nfs/dbraw/zinc/72/17/87/569721787.db2.gz ULWKZVVQMUCCKS-UHFFFAOYSA-N 0 0 455.331 4.316 50 0 JIAARN Cc1cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc(-c2cccc(F)c2)n1 ZINC000035891298 569721943 /nfs/dbraw/zinc/72/19/43/569721943.db2.gz ICDOZAMQZTVDRY-UHFFFAOYSA-N 0 0 462.550 4.255 50 0 JIAARN COc1cccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCC(C)C)[C@H]3C2)c1 ZINC000035908015 569723641 /nfs/dbraw/zinc/72/36/41/569723641.db2.gz KUCIKAZESMHZJC-JTHBVZDNSA-N 0 0 461.528 4.354 50 0 JIAARN COc1ccc(CN2Cc3cc(NC(=O)Cc4ccc(F)cc4)ccc3O[C@@H](C)C2=O)c(OC)c1 ZINC000035909798 569725017 /nfs/dbraw/zinc/72/50/17/569725017.db2.gz XEXQUDVRBOPTCS-KRWDZBQOSA-N 0 0 478.520 4.334 50 0 JIAARN O=c1c2c(ncn2Cc2cccc(Cl)c2)n(-c2ccc(Cl)cc2)c(=O)n1Cc1ccco1 ZINC000095536464 569725766 /nfs/dbraw/zinc/72/57/66/569725766.db2.gz RQCHJBZKIAFWPI-UHFFFAOYSA-N 0 0 467.312 4.345 50 0 JIAARN Cc1ccc(-c2cc3c4nn(CC(=O)Nc5ccccc5C(F)(F)F)c(=O)n4ccn3n2)cc1C ZINC000095538015 569726120 /nfs/dbraw/zinc/72/61/20/569726120.db2.gz RDLAXYAFUHVOHM-UHFFFAOYSA-N 0 0 480.450 4.085 50 0 JIAARN COc1ccc2c(c1)N1CCN(c3ccccc3F)C[C@@H]1[C@H](C(=O)NCCc1ccccc1)C2 ZINC000035911064 569726242 /nfs/dbraw/zinc/72/62/42/569726242.db2.gz RKJGKPCEGUDRBZ-YIXXDRMTSA-N 0 0 459.565 4.061 50 0 JIAARN CCNC(=O)N1CCN(c2nc(CC(C)C)nc(CC)c2Cc2c(F)cccc2Cl)CC1 ZINC000095540848 569726453 /nfs/dbraw/zinc/72/64/53/569726453.db2.gz YGRTVSLWVKDZIS-UHFFFAOYSA-N 0 0 462.013 4.472 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccccc4)n3c2=O)nn1-c1ccccc1 ZINC000035911550 569726762 /nfs/dbraw/zinc/72/67/62/569726762.db2.gz PQZQQARGUOCBFW-UHFFFAOYSA-N 0 0 469.570 4.084 50 0 JIAARN Cc1cc(-c2c(C)nc3c(OCC(=O)OC(C)(C)C)cccn3c2=O)nn1-c1cccc(C)c1 ZINC000035911462 569726771 /nfs/dbraw/zinc/72/67/71/569726771.db2.gz QPMDENNBRGIQEE-UHFFFAOYSA-N 0 0 460.534 4.193 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCC(C)C)n3c2=O)nn1-c1cccc(C)c1 ZINC000035911880 569726946 /nfs/dbraw/zinc/72/69/46/569726946.db2.gz UJRDCQJSQIGGIS-UHFFFAOYSA-N 0 0 463.607 4.239 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NC(C)C)n3c2=O)nn1-c1ccc(C(C)C)cc1 ZINC000035911922 569727107 /nfs/dbraw/zinc/72/71/07/569727107.db2.gz SVQIWMXUTGLAMI-UHFFFAOYSA-N 0 0 463.607 4.416 50 0 JIAARN Cc1ccc(C(=O)Nc2ccc3c(cc(C(=O)NCCN4CCOCC4)n3Cc3ccccc3)c2)cc1 ZINC000095551912 569727695 /nfs/dbraw/zinc/72/76/95/569727695.db2.gz WOAGNBDEBYYXIU-UHFFFAOYSA-N 0 0 496.611 4.312 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCN(C(=O)C(C)C)CC3)c12 ZINC000035912835 569727934 /nfs/dbraw/zinc/72/79/34/569727934.db2.gz AHLBGHABBUDSQD-UHFFFAOYSA-N 0 0 468.605 4.328 50 0 JIAARN COc1cc(OC)cc(C(=O)Nc2c(-c3ccc(OC)c(OC)c3)n[nH]c2C2CCOCC2)c1 ZINC000095614166 569728182 /nfs/dbraw/zinc/72/81/82/569728182.db2.gz ANJLYVKEAQMKDI-UHFFFAOYSA-N 0 0 467.522 4.257 50 0 JIAARN Cc1ccccc1C(=O)N1CCN(c2nc(CC(C)C)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925458 569728830 /nfs/dbraw/zinc/72/88/30/569728830.db2.gz QKTHPULLHXGEOB-UHFFFAOYSA-N 0 0 454.578 4.285 50 0 JIAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)Cc3ccc(F)cc3)CC2)n1 ZINC000035925570 569728832 /nfs/dbraw/zinc/72/88/32/569728832.db2.gz KZCWCVBXMXCSQX-UHFFFAOYSA-N 0 0 472.568 4.189 50 0 JIAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCCC2)s1)c1cc2cc(Cl)ccc2[nH]1 ZINC000095920484 569729843 /nfs/dbraw/zinc/72/98/43/569729843.db2.gz GRDGGOWFRWDZJE-UHFFFAOYSA-N 0 0 452.001 4.378 50 0 JIAARN CCN1CCN(C(=O)c2ccc(CSc3nnc(COC)n3-c3cccc(Cl)c3)cc2)CC1 ZINC000095925584 569730239 /nfs/dbraw/zinc/73/02/39/569730239.db2.gz USZJOKQVEMMYJC-UHFFFAOYSA-N 0 0 486.041 4.137 50 0 JIAARN Cc1ccc(-n2c(SCc3ccccc3C(=O)N3CCOCC3)nnc2-c2ccncc2)cc1 ZINC000095925514 569730273 /nfs/dbraw/zinc/73/02/73/569730273.db2.gz GJQNXXDPPSBDIR-UHFFFAOYSA-N 0 0 471.586 4.402 50 0 JIAARN COc1cc(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)ccc1OC1CCCC1 ZINC000095927124 569730448 /nfs/dbraw/zinc/73/04/48/569730448.db2.gz SLNCBYZZMIXUNX-JCMHNJIXSA-N 0 0 466.559 4.483 50 0 JIAARN COCCN(Cc1nn(-c2ccc(F)cc2)c2c1CN(Cc1ccc(F)cc1)CC2)C(=O)C(C)C ZINC000035928905 569731240 /nfs/dbraw/zinc/73/12/40/569731240.db2.gz CFMLJCDJWLXEKR-UHFFFAOYSA-N 0 0 482.575 4.340 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(N(C)C)c(CN(C(=O)C(C)(C)C)C3CC3)c2)cc1 ZINC000035944399 569731832 /nfs/dbraw/zinc/73/18/32/569731832.db2.gz JVQZPOLQBWFWJS-UHFFFAOYSA-N 0 0 459.612 4.099 50 0 JIAARN COc1cc(-c2noc(CCN(C(=O)/C=C/c3ccccc3)C(C)C)n2)cc(OC)c1OC ZINC000096096021 569732519 /nfs/dbraw/zinc/73/25/19/569732519.db2.gz PCPVDWZWOPXHSJ-VAWYXSNFSA-N 0 0 451.523 4.255 50 0 JIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000096114327 569733392 /nfs/dbraw/zinc/73/33/92/569733392.db2.gz AFARCIDEYYVQQA-DHLKQENFSA-N 0 0 473.481 4.350 50 0 biogenic JIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000096114325 569733536 /nfs/dbraw/zinc/73/35/36/569733536.db2.gz AFARCIDEYYVQQA-RDGATRHJSA-N 0 0 473.481 4.350 50 0 biogenic JIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2sc(N(C)C)nc2C)cc1 ZINC000096114682 569733663 /nfs/dbraw/zinc/73/36/63/569733663.db2.gz CMGYQOBDKOXIET-NQIIRXRSSA-N 0 0 477.542 4.164 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1F)C(=O)c1cccc(F)c1 ZINC000035946749 569733935 /nfs/dbraw/zinc/73/39/35/569733935.db2.gz FQDRTSPPIMYBOY-QFIPXVFZSA-N 0 0 483.540 4.493 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1OC)C(=O)c1ccco1 ZINC000035947510 569734555 /nfs/dbraw/zinc/73/45/55/569734555.db2.gz WLKGJLTZUFSLHA-QFIPXVFZSA-N 0 0 495.963 4.408 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccccc2OC)cc1 ZINC000035947718 569734775 /nfs/dbraw/zinc/73/47/75/569734775.db2.gz BNYBWGGIFYGHTI-RUZDIDTESA-N 0 0 487.556 4.162 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1)C(=O)c1cccc(F)c1 ZINC000035948358 569735366 /nfs/dbraw/zinc/73/53/66/569735366.db2.gz LFQCBMMPYFXDRT-JOCHJYFZSA-N 0 0 483.540 4.493 50 0 JIAARN CN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2c(c1)OCO2)C(=O)c1cccc(F)c1 ZINC000035948668 569735590 /nfs/dbraw/zinc/73/55/90/569735590.db2.gz TXYMLDVZOOUHAA-QFIPXVFZSA-N 0 0 477.467 4.143 50 0 JIAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cc3cccc4c3n(c2=O)CC4)S1 ZINC000096116947 569735632 /nfs/dbraw/zinc/73/56/32/569735632.db2.gz WOFHKDCQIHBCFI-OXQOHEQNSA-N 0 0 450.564 4.064 50 0 JIAARN COc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)CN(C)C(=O)NC(C)(C)C ZINC000035948951 569735709 /nfs/dbraw/zinc/73/57/09/569735709.db2.gz DWDICHJKRYAGJX-HXUWFJFHSA-N 0 0 456.974 4.466 50 0 JIAARN COc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)CN(C)C(=O)NC(C)(C)C ZINC000035948950 569735716 /nfs/dbraw/zinc/73/57/16/569735716.db2.gz DWDICHJKRYAGJX-FQEVSTJZSA-N 0 0 456.974 4.466 50 0 JIAARN CN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc2c(c1)OCO2)C(=O)NC(C)(C)C ZINC000035949043 569735867 /nfs/dbraw/zinc/73/58/67/569735867.db2.gz APEUJURYLMCYCT-LJQANCHMSA-N 0 0 470.957 4.186 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000035960533 569736469 /nfs/dbraw/zinc/73/64/69/569736469.db2.gz LFFXXFGQKBZIGD-QHCPKHFHSA-N 0 0 467.541 4.169 50 0 JIAARN COc1ccccc1[C@H]1CC(c2ccccc2F)=NN1C(=O)CN(C)C(=O)c1cccc(F)c1 ZINC000035961079 569736826 /nfs/dbraw/zinc/73/68/26/569736826.db2.gz HBGMTRYAIXULPF-HSZRJFAPSA-N 0 0 463.484 4.423 50 0 JIAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(Cl)cc1 ZINC000035961189 569736960 /nfs/dbraw/zinc/73/69/60/569736960.db2.gz FVGFYOPJZGEUKR-JOCHJYFZSA-N 0 0 474.964 4.225 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(OC)cc1)C(=O)c1cccs1 ZINC000035961443 569736967 /nfs/dbraw/zinc/73/69/67/569736967.db2.gz XLKFGUNQNNXOSK-HSZRJFAPSA-N 0 0 495.576 4.362 50 0 JIAARN COc1ccccc1[C@@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(C)C(=O)NC(C)(C)C ZINC000035961320 569737017 /nfs/dbraw/zinc/73/70/17/569737017.db2.gz JPKAPDLQBWZHTF-QFIPXVFZSA-N 0 0 450.583 4.430 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3ccccc3F)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000035961473 569737078 /nfs/dbraw/zinc/73/70/78/569737078.db2.gz GKFWFGKMRYDVDJ-RUZDIDTESA-N 0 0 475.520 4.293 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccccc2OC)cc1 ZINC000035962528 569737721 /nfs/dbraw/zinc/73/77/21/569737721.db2.gz RZHFNKKPALWLNC-VWLOTQADSA-N 0 0 487.556 4.162 50 0 JIAARN CCN(CC)C(=O)c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC000096815102 569743171 /nfs/dbraw/zinc/74/31/71/569743171.db2.gz SIPHZJUTEWONRN-OQKWZONESA-N 0 0 456.506 4.052 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cnc(-c3cccc(C)c3)nc2N2CCCC[C@@H]2C)C1 ZINC000035988630 569743663 /nfs/dbraw/zinc/74/36/63/569743663.db2.gz PXHGKNJWPBFPCO-PZJWPPBQSA-N 0 0 450.583 4.246 50 0 JIAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(C(=O)N2CCCC2)c1)C1CCCC1 ZINC000035992016 569744747 /nfs/dbraw/zinc/74/47/47/569744747.db2.gz VGZLOUAZFBQETE-UHFFFAOYSA-N 0 0 492.595 4.153 50 0 JIAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C4CCCC4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000035992548 569745025 /nfs/dbraw/zinc/74/50/25/569745025.db2.gz GRNDLSTXEHEQAT-UHFFFAOYSA-N 0 0 488.632 4.322 50 0 JIAARN O=C(/C=C/c1nc2ccccc2s1)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000097674608 569745725 /nfs/dbraw/zinc/74/57/25/569745725.db2.gz JTBLXDGDIVKQTP-BXCLKCLZSA-N 0 0 453.520 4.301 50 0 JIAARN COCc1nc2c(cnn2-c2ccccc2Cl)c(NC2CCC(NC(=O)NC(C)C)CC2)n1 ZINC000036003111 569746483 /nfs/dbraw/zinc/74/64/83/569746483.db2.gz YTYDTQKTTSPDPH-UHFFFAOYSA-N 0 0 471.993 4.046 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(Cc2ccccn2)C(=O)c2ccc(F)cc2)c1C ZINC000036004376 569746828 /nfs/dbraw/zinc/74/68/28/569746828.db2.gz ACTZQRXACPIHJZ-QGZVFWFLSA-N 0 0 451.498 4.256 50 0 JIAARN CCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)c3ccc(C)cc3)CC2)n1 ZINC000036006158 569747453 /nfs/dbraw/zinc/74/74/53/569747453.db2.gz POAOWJMPRAWOHT-UHFFFAOYSA-N 0 0 454.578 4.347 50 0 JIAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(C[C@@H]3CCCO3)C(=O)CC(C)C)cc2)cc1 ZINC000036008532 569747892 /nfs/dbraw/zinc/74/78/92/569747892.db2.gz VWTMACLTDKBBJN-QFIPXVFZSA-N 0 0 461.580 4.017 50 0 JIAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)C(=O)CC(C)C ZINC000036013329 569748533 /nfs/dbraw/zinc/74/85/33/569748533.db2.gz XKXNLICVFACSPX-UHFFFAOYSA-N 0 0 482.600 4.011 50 0 JIAARN CSc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)C2=O)cc1 ZINC000097986174 569748580 /nfs/dbraw/zinc/74/85/80/569748580.db2.gz VXNWKHFKXIODBN-QCBCRBAMSA-N 0 0 498.626 4.433 50 0 JIAARN CSc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccc(OC[C@H]4CCCO4)cc3)C2=O)cc1 ZINC000097986175 569748582 /nfs/dbraw/zinc/74/85/82/569748582.db2.gz VXNWKHFKXIODBN-INKLHFNDSA-N 0 0 498.626 4.433 50 0 JIAARN Cc1ccc(C)c(-c2cc(C(=O)N(CC(=O)NCc3cccnc3)Cc3ccccc3)no2)c1 ZINC000036015461 569749144 /nfs/dbraw/zinc/74/91/44/569749144.db2.gz YWFAHBFDYGUWIH-UHFFFAOYSA-N 0 0 454.530 4.312 50 0 JIAARN COc1ccc(OC)c(-c2cc(C(=O)N[C@@H](C(=O)NCc3ccc(F)cc3)c3ccccc3)no2)c1 ZINC000036016123 569749221 /nfs/dbraw/zinc/74/92/21/569749221.db2.gz ILUSLFRPRUTQFS-RUZDIDTESA-N 0 0 489.503 4.285 50 0 JIAARN CC(C)CC(=O)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019204 569749770 /nfs/dbraw/zinc/74/97/70/569749770.db2.gz AEIIQTHOXQLRJS-UHFFFAOYSA-N 0 0 496.627 4.435 50 0 JIAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)N2CCCCC2)CC1 ZINC000036019350 569749865 /nfs/dbraw/zinc/74/98/65/569749865.db2.gz YMDICXSMXNATPI-UHFFFAOYSA-N 0 0 494.611 4.399 50 0 JIAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(C)=O)cc2C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC000036019409 569749893 /nfs/dbraw/zinc/74/98/93/569749893.db2.gz LBUKVDNDNODKLY-XMMPIXPASA-N 0 0 476.621 4.114 50 0 JIAARN COC(=O)c1cccc(NC(=O)c2ccc(CSc3nc(C)c(C)c(N(C)C)n3)cc2)c1 ZINC000036023926 569750250 /nfs/dbraw/zinc/75/02/50/569750250.db2.gz DOONUDPVTJVIFL-UHFFFAOYSA-N 0 0 450.564 4.491 50 0 JIAARN CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)NCCc1ccccc1)O2 ZINC000098087174 569750565 /nfs/dbraw/zinc/75/05/65/569750565.db2.gz CDLSNZRSQLYVLR-VWLOTQADSA-N 0 0 478.614 4.299 50 0 JIAARN CCc1nc2c(c(C)nn2-c2ccccc2C)c(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1 ZINC000036025972 569750670 /nfs/dbraw/zinc/75/06/70/569750670.db2.gz RXJGUZFLIAGSSD-UHFFFAOYSA-N 0 0 454.578 4.266 50 0 JIAARN CC[C@H](C)CN1C(=O)[C@@H](Cc2ccccc2)NC12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000036026582 569750810 /nfs/dbraw/zinc/75/08/10/569750810.db2.gz KXTBKBHQGSIAIV-WMZHIEFXSA-N 0 0 454.014 4.362 50 0 JIAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1C(C)C)C(=O)c1ccccc1 ZINC000036030482 569751638 /nfs/dbraw/zinc/75/16/38/569751638.db2.gz JZBOXMMULHKMBP-UHFFFAOYSA-N 0 0 469.607 4.035 50 0 JIAARN Cc1ccccc1C(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@H]1CCCO1)C1CC1 ZINC000036031076 569751927 /nfs/dbraw/zinc/75/19/27/569751927.db2.gz OMATXIUJMMIPJU-XMMPIXPASA-N 0 0 493.629 4.149 50 0 JIAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(C(=O)C2CC2)C2CC2)n1Cc1ccccc1 ZINC000036040315 569753031 /nfs/dbraw/zinc/75/30/31/569753031.db2.gz YMHWSUPZIZLRPV-UHFFFAOYSA-N 0 0 463.603 4.115 50 0 JIAARN CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C)CC(C)C ZINC000036042896 569754278 /nfs/dbraw/zinc/75/42/78/569754278.db2.gz ZXNCUOGISIAGDI-UHFFFAOYSA-N 0 0 471.092 4.444 50 0 JIAARN CCCCNC(=O)[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044440 569755108 /nfs/dbraw/zinc/75/51/08/569755108.db2.gz XOAXUBBQINYAHW-PMACEKPBSA-N 0 0 474.985 4.138 50 0 JIAARN CCN(C)C(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044590 569755176 /nfs/dbraw/zinc/75/51/76/569755176.db2.gz FIIWWQJYIXZOSU-QZTJIDSGSA-N 0 0 495.403 4.353 50 0 JIAARN CC(C)C(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1)C1CC1 ZINC000036049671 569756287 /nfs/dbraw/zinc/75/62/87/569756287.db2.gz WYNUCEDBTYCTDT-UHFFFAOYSA-N 0 0 454.933 4.917 50 0 JIAARN COc1ccc(-c2cn(-c3ccc(F)cc3)c(NC(=O)CN(C(=O)c3cccs3)C3CC3)n2)cc1 ZINC000036051912 569756555 /nfs/dbraw/zinc/75/65/55/569756555.db2.gz SMSLSOPWNJXWFZ-UHFFFAOYSA-N 0 0 490.560 4.992 50 0 JIAARN O=C(CS[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000100288988 569756802 /nfs/dbraw/zinc/75/68/02/569756802.db2.gz ZAZJXYQDJXOWPC-HNNXBMFYSA-N 0 0 498.196 4.215 50 0 JIAARN COc1cccc(CN2C(=O)O[C@H](c3ccc(NC(C)=O)cc3)[C@H]2C(=O)Nc2ccccc2)c1 ZINC000036221084 569757422 /nfs/dbraw/zinc/75/74/22/569757422.db2.gz PYCJFFHHSUUDJV-BJKOFHAPSA-N 0 0 459.502 4.354 50 0 JIAARN C[C@@H]1CCCCN1C(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036250189 569758182 /nfs/dbraw/zinc/75/81/82/569758182.db2.gz LNLVNOGMUSUONS-GCJKJVERSA-N 0 0 465.560 4.423 50 0 JIAARN COc1cc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccccc3Cl)CC2)cc(OC)c1 ZINC000036311667 569759603 /nfs/dbraw/zinc/75/96/03/569759603.db2.gz TUKXLMIVZTVRFF-DEOSSOPVSA-N 0 0 486.012 4.313 50 0 JIAARN CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)c1ccccc1OC ZINC000036312205 569760107 /nfs/dbraw/zinc/76/01/07/569760107.db2.gz HTYNRUQOOYVOTA-UHFFFAOYSA-N 0 0 466.557 4.294 50 0 JIAARN CN1CCN(c2onc(-c3ccc(F)cc3)c2CN(C[C@H]2CCCO2)C(=O)CC(C)(C)C)CC1 ZINC000036312245 569760116 /nfs/dbraw/zinc/76/01/16/569760116.db2.gz PLKXDNOVJMVXCK-OAQYLSRUSA-N 0 0 472.605 4.176 50 0 JIAARN Cc1ccc(C(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CCN(C)CC2)C[C@H]2CCCO2)cc1 ZINC000036312237 569760167 /nfs/dbraw/zinc/76/01/67/569760167.db2.gz RGZYGETUMQYWFA-XMMPIXPASA-N 0 0 492.595 4.362 50 0 JIAARN CN1CCN(c2onc(-c3ccc(F)cc3)c2CN(C[C@@H]2CCCO2)C(=O)CC(C)(C)C)CC1 ZINC000036312243 569760172 /nfs/dbraw/zinc/76/01/72/569760172.db2.gz PLKXDNOVJMVXCK-NRFANRHFSA-N 0 0 472.605 4.176 50 0 JIAARN Cc1ccc(C(=O)N(Cc2c(-c3ccccc3F)noc2N2CCOCC2)C[C@@H]2CCCO2)cc1 ZINC000036313300 569760759 /nfs/dbraw/zinc/76/07/59/569760759.db2.gz YFUTYXJODLUPDY-NRFANRHFSA-N 0 0 479.552 4.447 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@H](c3ccccc3OC)C2)cc1 ZINC000036341423 569764569 /nfs/dbraw/zinc/76/45/69/569764569.db2.gz QNCHCBHWXRAZBQ-NDEPHWFRSA-N 0 0 498.627 4.199 50 0 JIAARN O=C(CN1CCN(Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F ZINC000036341458 569764580 /nfs/dbraw/zinc/76/45/80/569764580.db2.gz RXEDESSYGOTDDX-HHHXNRCGSA-N 0 0 474.555 4.460 50 0 JIAARN COc1ccc(CCN(C(=O)c2ccccc2)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000100858342 569772645 /nfs/dbraw/zinc/77/26/45/569772645.db2.gz LGIKLEFYJJSWGP-QHCPKHFHSA-N 0 0 462.933 4.366 50 0 JIAARN Cc1coc2c1cc1c(C)c(CCC(=O)N3CCN(Cc4ccncc4)CC3)c(=O)oc1c2C ZINC000036370092 569773350 /nfs/dbraw/zinc/77/33/50/569773350.db2.gz FZIFDKVNIXTZBZ-UHFFFAOYSA-N 0 0 459.546 4.136 50 0 biogenic JIAARN CC(=O)OC[C@H](OC(C)=O)[C@@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036371997 569773629 /nfs/dbraw/zinc/77/36/29/569773629.db2.gz WGNIKHUCDAWZRV-IBILOWCXSA-N 0 0 476.610 4.107 50 0 JIAARN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000036389733 569774448 /nfs/dbraw/zinc/77/44/48/569774448.db2.gz FSHMBXJGXGVUDC-ICSRJNTNSA-N 0 0 466.607 4.146 50 0 JIAARN COc1cc([C@@H]2CC(c3cccs3)=NN2S(=O)(=O)c2ccccc2)cc(OC)c1OC ZINC000036393651 569774631 /nfs/dbraw/zinc/77/46/31/569774631.db2.gz VCECERXPNWDFQI-SFHVURJKSA-N 0 0 458.561 4.314 50 0 JIAARN Cc1cc(=O)c(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)nn1-c1ccc(Cl)cc1 ZINC000036394483 569774800 /nfs/dbraw/zinc/77/48/00/569774800.db2.gz JWEVTIPCZMTSJK-UHFFFAOYSA-N 0 0 457.868 4.211 50 0 JIAARN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000036396972 569775171 /nfs/dbraw/zinc/77/51/71/569775171.db2.gz CYBVIBFRHPNPSP-OAHLLOKOSA-N 0 0 452.960 4.141 50 0 JIAARN CS(=O)(=O)N(CCCNc1nc(-c2ccsc2)nc2ccccc21)Cc1cccnc1 ZINC000036397764 569775263 /nfs/dbraw/zinc/77/52/63/569775263.db2.gz RVLSSRMPOIGOIM-UHFFFAOYSA-N 0 0 453.593 4.017 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)N1CCN(c3ccccc3)CC1)CC2 ZINC000036447658 569776031 /nfs/dbraw/zinc/77/60/31/569776031.db2.gz IHJHHNOFAQUKMH-MHZLTWQESA-N 0 0 477.630 4.062 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000036447690 569776102 /nfs/dbraw/zinc/77/61/02/569776102.db2.gz ONBPVXAAGLBNME-XMMPIXPASA-N 0 0 452.532 4.080 50 0 JIAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@@H]1c1ccc(C)cc1C ZINC000100933137 569776411 /nfs/dbraw/zinc/77/64/11/569776411.db2.gz COBYHQFYACIARR-WMZHIEFXSA-N 0 0 469.607 4.127 50 0 JIAARN COc1ccccc1[C@H]1C(C(=O)OC(C)(C)C)=C(C)N=C2SC=C(CC(=O)NC3CC3)N21 ZINC000100939865 569776951 /nfs/dbraw/zinc/77/69/51/569776951.db2.gz MLOIRZLYTVVHRR-NRFANRHFSA-N 0 0 455.580 4.281 50 0 JIAARN COc1ccc(CCNC(=O)CN2c3ccccc3N=C(c3ccc(F)cc3)CC2=O)cc1OC ZINC000100944038 569777194 /nfs/dbraw/zinc/77/71/94/569777194.db2.gz QUMLQKXFGGEKBP-UHFFFAOYSA-N 0 0 475.520 4.059 50 0 JIAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2)N2C(CC(=O)NCCC(C)C)=CSC2=N1 ZINC000100946112 569777293 /nfs/dbraw/zinc/77/72/93/569777293.db2.gz QRIAXVWFQMJWFB-JOCHJYFZSA-N 0 0 457.596 4.386 50 0 JIAARN COCCNC(=O)CC1=CSC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cccs3)N12 ZINC000100945911 569777308 /nfs/dbraw/zinc/77/73/08/569777308.db2.gz YFVBYVRQKBPVDO-QFIPXVFZSA-N 0 0 483.615 4.219 50 0 JIAARN O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000036597194 569777343 /nfs/dbraw/zinc/77/73/43/569777343.db2.gz NSLBWYGEHMZMIC-JOCHJYFZSA-N 0 0 487.512 4.038 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)nn32)cc1 ZINC000101008329 569779025 /nfs/dbraw/zinc/77/90/25/569779025.db2.gz DKHWYTWYSWXJAQ-ONTIZHBOSA-N 0 0 487.947 4.452 50 0 JIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2ccc(S(=O)(=O)N(C)C)cc2s1 ZINC000036647356 569779764 /nfs/dbraw/zinc/77/97/64/569779764.db2.gz LXBMHKBZAKERBZ-UHFFFAOYSA-N 0 0 476.967 4.416 50 0 JIAARN CC(C)S(=O)(=O)c1cccc(-c2nnc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)o2)c1 ZINC000036652551 569779767 /nfs/dbraw/zinc/77/97/67/569779767.db2.gz GVJISYWODBVXRA-UHFFFAOYSA-N 0 0 463.943 4.368 50 0 JIAARN COc1cccc(C(=O)N2CCN(c3nc4ccc(OC(F)(F)F)cc4s3)CC2)c1OC ZINC000036708142 569780222 /nfs/dbraw/zinc/78/02/22/569780222.db2.gz CSLMXJOXEKNLOI-UHFFFAOYSA-N 0 0 467.469 4.175 50 0 JIAARN NC(=O)c1ccc(NC(=O)CN2CCC(Cn3c(COc4ccccc4)nc4ccccc43)CC2)cc1 ZINC000036708921 569780253 /nfs/dbraw/zinc/78/02/53/569780253.db2.gz UMNUIJGPWFTQMJ-UHFFFAOYSA-N 0 0 497.599 4.065 50 0 JIAARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000101053970 569780505 /nfs/dbraw/zinc/78/05/05/569780505.db2.gz JMFMTIDPAFEIIF-BDTNDASRSA-N 0 0 495.329 4.214 50 0 JIAARN Cn1ncc2c1ncnc2SCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000037136552 569781331 /nfs/dbraw/zinc/78/13/31/569781331.db2.gz FHYMUBDTPNECFV-KRWDZBQOSA-N 0 0 458.503 4.173 50 0 JIAARN CCc1ccccc1OCC(=O)c1ccc2c(c1)N(Cc1ccc(C(=O)NCC3CC3)o1)C(=O)CO2 ZINC000037275005 569781999 /nfs/dbraw/zinc/78/19/99/569781999.db2.gz LWXNLGYYBFNQQN-UHFFFAOYSA-N 0 0 488.540 4.169 50 0 JIAARN CN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)COc2ccccc2)CC1 ZINC000037277193 569782275 /nfs/dbraw/zinc/78/22/75/569782275.db2.gz FBQKDSYZHKRANQ-UHFFFAOYSA-N 0 0 457.574 4.123 50 0 JIAARN CCCCNC(=O)N1C[C@H](C(=O)NCCc2ccc(OC)cc2)CC[C@@H]1c1ccc(F)cc1 ZINC000037278054 569782305 /nfs/dbraw/zinc/78/23/05/569782305.db2.gz NITZQXRDBAAIHA-ZJSXRUAMSA-N 0 0 455.574 4.456 50 0 JIAARN COc1ccccc1-c1nc(NC[C@H]2CCCO2)nc2nn(-c3ccc(Cl)cc3)c(N)c21 ZINC000037358677 569783792 /nfs/dbraw/zinc/78/37/92/569783792.db2.gz MDVJHBLIHPZPHC-MRXNPFEDSA-N 0 0 450.930 4.318 50 0 JIAARN Nc1c2c(nn1Cc1ccccc1)nc(N1CCN(c3ccccn3)CC1)nc2-c1cccc(Cl)c1 ZINC000037361012 569784094 /nfs/dbraw/zinc/78/40/94/569784094.db2.gz NABHFMGIMUZZMC-UHFFFAOYSA-N 0 0 497.006 4.499 50 0 JIAARN Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCCN(C(=O)N(C)C)CC3)c12 ZINC000037379291 569784771 /nfs/dbraw/zinc/78/47/71/569784771.db2.gz IAGKSPZOMCNMDB-UHFFFAOYSA-N 0 0 487.583 4.048 50 0 JIAARN Cn1cc([C@H](CC(=O)NCCN2CCOCC2)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000037381196 569785026 /nfs/dbraw/zinc/78/50/26/569785026.db2.gz NNOKZSDDTONEAH-OAQYLSRUSA-N 0 0 459.512 4.168 50 0 JIAARN O=S(=O)(NCCNc1nc(-c2ccco2)nc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000037381960 569785101 /nfs/dbraw/zinc/78/51/01/569785101.db2.gz OLWGWMFVKIYQCD-UHFFFAOYSA-N 0 0 462.453 4.299 50 0 JIAARN COc1ccc(-c2nc3ccccc3c(N(CCC(=O)N3CCOCC3)Cc3ccco3)n2)cc1 ZINC000037383431 569785396 /nfs/dbraw/zinc/78/53/96/569785396.db2.gz NZEJNROMCXAIAK-UHFFFAOYSA-N 0 0 472.545 4.154 50 0 JIAARN O=C(CCN(CCCN1CCOCC1)c1nc(C2CC2)nc2ccccc21)Nc1ccccc1 ZINC000037384209 569785463 /nfs/dbraw/zinc/78/54/63/569785463.db2.gz OXTVBZIIGUCSLF-UHFFFAOYSA-N 0 0 459.594 4.065 50 0 JIAARN COCCNC(=O)CCN(Cc1ccco1)c1nc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000037384478 569785594 /nfs/dbraw/zinc/78/55/94/569785594.db2.gz KKWNBVIZNLOPNR-UHFFFAOYSA-N 0 0 460.534 4.058 50 0 JIAARN O=C(CCN(Cc1ccccc1)c1nc(C2CC2)nc2cc(Cl)ccc21)NCCN1CCOCC1 ZINC000037384687 569785726 /nfs/dbraw/zinc/78/57/26/569785726.db2.gz CWAJHJDZZDGMBL-UHFFFAOYSA-N 0 0 494.039 4.006 50 0 JIAARN CCOc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2C)ccc1OCc1ccccc1 ZINC000101250718 569788094 /nfs/dbraw/zinc/78/80/94/569788094.db2.gz BFMSMHRGUKVFKZ-CYXNTTPDSA-N 0 0 472.541 4.136 50 0 JIAARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(=O)c1ccco1 ZINC000037400469 569788134 /nfs/dbraw/zinc/78/81/34/569788134.db2.gz LQCKBOYLSSBTOJ-QGZVFWFLSA-N 0 0 470.547 4.447 50 0 JIAARN CNC(=O)[C@]1(OCc2cccc(F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2cccc(Cl)c2)C1 ZINC000037423953 569788842 /nfs/dbraw/zinc/78/88/42/569788842.db2.gz SEWJZIYRALMEQT-ILSIFQBBSA-N 0 0 477.960 4.380 50 0 JIAARN O=C(CCN(Cc1ccco1)C(=O)c1csc(Nc2ccc(F)cc2)n1)NCc1ccccn1 ZINC000037425781 569788993 /nfs/dbraw/zinc/78/89/93/569788993.db2.gz GLGGDSWJXSVDAL-UHFFFAOYSA-N 0 0 479.537 4.363 50 0 JIAARN COc1ccc(-n2nc3c4cc(C(=O)NCc5ccccc5Cl)ccc4[nH]cc-3c2=O)cc1 ZINC000101281809 569789091 /nfs/dbraw/zinc/78/90/91/569789091.db2.gz ZQCGRZRUQGNYAF-UHFFFAOYSA-N 0 0 458.905 4.411 50 0 JIAARN COCCN(CCC(=O)NCC(C)C)C(=O)c1csc(Nc2cc(Cl)ccc2Cl)n1 ZINC000037426756 569789299 /nfs/dbraw/zinc/78/92/99/569789299.db2.gz GUPJUDRIAPLBGG-UHFFFAOYSA-N 0 0 473.426 4.444 50 0 JIAARN O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(C(=O)c2csc(Nc3cccc(Cl)c3Cl)n2)C1 ZINC000037435636 569789896 /nfs/dbraw/zinc/78/98/96/569789896.db2.gz NXNPKTZYPIWTLD-KGLIPLIRSA-N 0 0 483.421 4.341 50 0 JIAARN 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ZINC000012788504 195129862 /nfs/dbraw/zinc/12/98/62/195129862.db2.gz XZCUUWKLCUWBCB-UHFFFAOYSA-N 0 0 486.597 4.097 50 0 JIAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)cc12 ZINC000012790089 195131246 /nfs/dbraw/zinc/13/12/46/195131246.db2.gz OMEAFMBXGLOVRH-HXUWFJFHSA-N 0 0 484.622 4.458 50 0 JIAARN CCCn1c(S[C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)nc2ccccc2c1=O ZINC000012791066 195132018 /nfs/dbraw/zinc/13/20/18/195132018.db2.gz ARIGTPJHJPBPJA-SBNSQYLKSA-N 0 0 468.623 4.082 50 0 JIAARN Cc1nc(-c2ccc(CNC(=O)c3cc(S(N)(=O)=O)c(Cl)cc3Cl)cc2)cs1 ZINC000012792981 195133541 /nfs/dbraw/zinc/13/35/41/195133541.db2.gz PRTBHZKAGXFVKQ-UHFFFAOYSA-N 0 0 456.376 4.003 50 0 JIAARN Cc1ccc(Br)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC3=NCCS3)c2)c1 ZINC000012793402 195133788 /nfs/dbraw/zinc/13/37/88/195133788.db2.gz VENOIDYHSSLQCK-UHFFFAOYSA-N 0 0 488.816 4.044 50 0 JIAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000012795723 195135738 /nfs/dbraw/zinc/13/57/38/195135738.db2.gz DUQIXHMKDSDWFB-KRWDZBQOSA-N 0 0 451.367 4.069 50 0 JIAARN CCN(Cc1ccc(Br)s1)C(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000012798930 195138081 /nfs/dbraw/zinc/13/80/81/195138081.db2.gz SEPKOGQUYQUWTA-UHFFFAOYSA-N 0 0 459.431 4.203 50 0 JIAARN CCN(Cc1cccc(F)c1)C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCO1 ZINC000012803061 195140269 /nfs/dbraw/zinc/14/02/69/195140269.db2.gz ABENIFTZQBKMID-JOCHJYFZSA-N 0 0 484.597 4.413 50 0 JIAARN COc1ccc(-c2nnc([C@@H](C)OC(=O)c3cccc(CN4C(=O)c5ccccc5C4=O)c3)o2)cc1 ZINC000012805168 195141013 /nfs/dbraw/zinc/14/10/13/195141013.db2.gz HEIWBBLNJMXZEP-MRXNPFEDSA-N 0 0 483.480 4.459 50 0 JIAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN(C)CCOc1cccc(C)c1 ZINC000012805234 195141207 /nfs/dbraw/zinc/14/12/07/195141207.db2.gz WTBUAKKVCROCJV-UHFFFAOYSA-N 0 0 477.561 4.214 50 0 JIAARN C[C@@H]1CCCC[C@H]1n1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nnc1-c1cccnc1 ZINC000012805420 195141230 /nfs/dbraw/zinc/14/12/30/195141230.db2.gz AELFIWLEONTYJW-RHSMWYFYSA-N 0 0 496.662 4.471 50 0 JIAARN CN(CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1)S(=O)(=O)c1cccs1 ZINC000012808272 195143031 /nfs/dbraw/zinc/14/30/31/195143031.db2.gz QALCODMHOVYAPY-UHFFFAOYSA-N 0 0 462.405 4.438 50 0 JIAARN CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1cc(Br)ccc1Br ZINC000012808393 195143083 /nfs/dbraw/zinc/14/30/83/195143083.db2.gz FRFBLHRAXXSYRO-UHFFFAOYSA-N 0 0 499.228 4.277 50 0 JIAARN CC(C)(C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000012814459 195146122 /nfs/dbraw/zinc/14/61/22/195146122.db2.gz DPWGHRJBOOGKCF-UHFFFAOYSA-N 0 0 450.532 4.014 50 0 JIAARN CCCC(=O)Nc1ccc(C(=O)CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000012816950 195147278 /nfs/dbraw/zinc/14/72/78/195147278.db2.gz MJOROUVCRZXILH-UHFFFAOYSA-N 0 0 465.457 4.275 50 0 JIAARN O=C(c1cc(-c2ccccc2)on1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000012818046 195147942 /nfs/dbraw/zinc/14/79/42/195147942.db2.gz ZQZQYLMSELTBFB-UHFFFAOYSA-N 0 0 499.898 4.161 50 0 JIAARN CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)[C@H]2CCCN2C(=O)c2cccs2)CC1 ZINC000012820154 195148875 /nfs/dbraw/zinc/14/88/75/195148875.db2.gz DLUZQUSHPMVDIQ-FCHUYYIVSA-N 0 0 486.609 4.467 50 0 JIAARN Cc1cc(-c2cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)c3c(C)noc3n2)c(C)s1 ZINC000012820713 195149101 /nfs/dbraw/zinc/14/91/01/195149101.db2.gz JRTDEIURDXLQKM-UHFFFAOYSA-N 0 0 470.576 4.379 50 0 JIAARN O=C(CN1CCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1)NCc1ccccc1 ZINC000012824707 195150772 /nfs/dbraw/zinc/15/07/72/195150772.db2.gz NGPIFJKDQXGFNG-UHFFFAOYSA-N 0 0 471.479 4.040 50 0 JIAARN O=C(c1ccc(F)cc1)N1CCCC[C@@H](Sc2nnc(-c3cccnc3)n2Cc2ccco2)C1=O ZINC000012871195 195163658 /nfs/dbraw/zinc/16/36/58/195163658.db2.gz PVVIZXOGCVHEPY-OAQYLSRUSA-N 0 0 491.548 4.434 50 0 JIAARN O=C(CN1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1)Nc1ccccc1Cl ZINC000012872531 195164238 /nfs/dbraw/zinc/16/42/38/195164238.db2.gz SFWSBZPYFTYDHW-UHFFFAOYSA-N 0 0 487.387 4.364 50 0 JIAARN C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012873352 195164648 /nfs/dbraw/zinc/16/46/48/195164648.db2.gz VLVOSHAJUUBBDT-MPBGBICISA-N 0 0 450.438 4.205 50 0 JIAARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000012874557 195165094 /nfs/dbraw/zinc/16/50/94/195165094.db2.gz CKNDNEUUQJQNJR-UHFFFAOYSA-N 0 0 494.400 4.114 50 0 JIAARN COc1ccc(CN2CC(=O)N3C[C@H](c4ccc(OC)cc4)c4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000012876052 195166158 /nfs/dbraw/zinc/16/61/58/195166158.db2.gz GTMNGDNOGWFOGG-HLADLETHSA-N 0 0 495.579 4.417 50 0 biogenic JIAARN CCOc1ccc2nc(NC(=O)CSc3nnc(-c4cccnc4)n3C3CC3)sc2c1 ZINC000012879834 195167648 /nfs/dbraw/zinc/16/76/48/195167648.db2.gz NHPRUGRUVQSHHF-UHFFFAOYSA-N 0 0 452.565 4.414 50 0 JIAARN Cc1nc2sc(C(=O)OCC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)c(N)c2c(C)n1 ZINC000012879980 195167969 /nfs/dbraw/zinc/16/79/69/195167969.db2.gz IICUPNVBZWJYSP-CQSZACIVSA-N 0 0 481.603 4.063 50 0 JIAARN C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)NCc3ccco3)C(=O)N21 ZINC000012882028 195168939 /nfs/dbraw/zinc/16/89/39/195168939.db2.gz KQFSFRDYQCJTNU-NYHFZMIOSA-N 0 0 454.486 4.145 50 0 biogenic JIAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)[C@@H](C)CC ZINC000012887610 195171223 /nfs/dbraw/zinc/17/12/23/195171223.db2.gz FQVNLDHNHVWMJG-JAKGZLEISA-N 0 0 486.616 4.083 50 0 biogenic JIAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000012889264 195172129 /nfs/dbraw/zinc/17/21/29/195172129.db2.gz GSXSZLGGKKFRMO-GOSISDBHSA-N 0 0 450.560 4.054 50 0 JIAARN COc1ccc([C@@H](CNC(=O)c2c(C)onc2-c2c(F)cccc2Cl)N2CCOCC2)cc1 ZINC000012891432 195172995 /nfs/dbraw/zinc/17/29/95/195172995.db2.gz RMGPNISPMHZYLL-HXUWFJFHSA-N 0 0 473.932 4.254 50 0 JIAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)NCCC(=O)N2CCCCCC2)cc1 ZINC000012894199 195174728 /nfs/dbraw/zinc/17/47/28/195174728.db2.gz LXXKSQOZGFUFKQ-MHZLTWQESA-N 0 0 495.620 4.162 50 0 biogenic JIAARN O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012898266 195176352 /nfs/dbraw/zinc/17/63/52/195176352.db2.gz JQLYMKFDRWZNCF-IBGZPJMESA-N 0 0 491.594 4.149 50 0 JIAARN O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012898273 195176386 /nfs/dbraw/zinc/17/63/86/195176386.db2.gz JQLYMKFDRWZNCF-LJQANCHMSA-N 0 0 491.594 4.149 50 0 JIAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)n(-c2ccccc2C)n1 ZINC000012864980 195161165 /nfs/dbraw/zinc/16/11/65/195161165.db2.gz SCPUQVYMPDUOKB-UHFFFAOYSA-N 0 0 460.365 4.305 50 0 JIAARN Cc1sc2ncnc(N[C@@H](C)C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)c2c1C ZINC000012907211 195180307 /nfs/dbraw/zinc/18/03/07/195180307.db2.gz WFLKNTXVQHROON-INIZCTEOSA-N 0 0 451.596 4.051 50 0 JIAARN CC[C@H](C(=O)NC[C@H](C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607595 195181711 /nfs/dbraw/zinc/18/17/11/195181711.db2.gz SWEFHRFCHPMYMG-WCQYABFASA-N 0 0 451.415 4.010 50 0 JIAARN COc1ccc(-c2coc3cc(OCC(=O)N4CCN(Cc5ccccc5)CC4)ccc3c2=O)cc1 ZINC000020646676 195195389 /nfs/dbraw/zinc/19/53/89/195195389.db2.gz YZSKBXKFHBQXJZ-UHFFFAOYSA-N 0 0 484.552 4.192 50 0 biogenic JIAARN CCc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000020617635 195189585 /nfs/dbraw/zinc/18/95/85/195189585.db2.gz CUSGHYSBKRDYRP-WCTVFOPTSA-N 0 0 457.486 4.404 50 0 JIAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)NCc3ccco3)C2=O)cc1Br ZINC000020732441 195210861 /nfs/dbraw/zinc/21/08/61/195210861.db2.gz FGSCMMKJLYNEAJ-MTJSOVHGSA-N 0 0 483.318 4.134 50 0 JIAARN COc1ccc(-n2nc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c3ccccc3c2=O)cc1 ZINC000020804712 195228385 /nfs/dbraw/zinc/22/83/85/195228385.db2.gz ZCNHQPBNERTEKV-UHFFFAOYSA-N 0 0 465.893 4.317 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(OC)cc4)c3[C@@H]2c2ccccn2)cc1 ZINC000020855091 195231857 /nfs/dbraw/zinc/23/18/57/195231857.db2.gz UPFMWSPQHYGJOM-DEOSSOPVSA-N 0 0 454.486 4.407 50 0 JIAARN CCN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(Br)s1 ZINC000020814944 195229339 /nfs/dbraw/zinc/22/93/39/195229339.db2.gz AJHBFSUCIGFLAZ-UHFFFAOYSA-N 0 0 454.781 4.205 50 0 JIAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(Cc1ccccc1)C3 ZINC000020827208 195229580 /nfs/dbraw/zinc/22/95/80/195229580.db2.gz FRMQNCZEBTZGRP-UHFFFAOYSA-N 0 0 491.638 4.330 50 0 JIAARN CC(C)c1ccc([C@H](CNC(=O)C2=C(c3ccccc3)SCCO2)N2CCOCC2)cc1 ZINC000020744370 195214841 /nfs/dbraw/zinc/21/48/41/195214841.db2.gz NPUNFNHBUNRLLA-QHCPKHFHSA-N 0 0 452.620 4.432 50 0 JIAARN Cc1oc2cc3oc(=O)c(CC(=O)Nc4ccc(CN5CCOCC5)cc4)c(C)c3cc2c1C ZINC000020759075 195216860 /nfs/dbraw/zinc/21/68/60/195216860.db2.gz ORTMPKRWIIFQAR-UHFFFAOYSA-N 0 0 460.530 4.478 50 0 biogenic JIAARN CCOc1ccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)Nc2ccccc2Cl)cc1 ZINC000020759183 195217379 /nfs/dbraw/zinc/21/73/79/195217379.db2.gz QUWAQJNTTNGIJK-UHFFFAOYSA-N 0 0 468.970 4.319 50 0 JIAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Cl)c1OCCOc1ccc(C)cc1C ZINC000020895576 195239678 /nfs/dbraw/zinc/23/96/78/195239678.db2.gz JXIGSNUAPJBBPZ-QFIPXVFZSA-N 0 0 491.997 4.424 50 0 JIAARN COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)NCc1ccc(F)cc1 ZINC000020919915 195247420 /nfs/dbraw/zinc/24/74/20/195247420.db2.gz CZQYGFAVISSQME-UHFFFAOYSA-N 0 0 450.919 4.351 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCc3cccnc3)s2)cc1 ZINC000020869251 195235463 /nfs/dbraw/zinc/23/54/63/195235463.db2.gz KIRGXULYCBVBEW-UHFFFAOYSA-N 0 0 499.639 4.433 50 0 JIAARN CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccccc4Cl)ccc3n2CC)CC1 ZINC000020893343 195238052 /nfs/dbraw/zinc/23/80/52/195238052.db2.gz IRVYVYYPZSKGEF-UHFFFAOYSA-N 0 0 469.973 4.236 50 0 JIAARN Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)N(C)c1ccc(Br)cc1 ZINC000020893904 195238539 /nfs/dbraw/zinc/23/85/39/195238539.db2.gz PYTTYMAUESEPQM-UHFFFAOYSA-N 0 0 488.407 4.212 50 0 JIAARN CC[C@@H](C(=O)NCc1cccc(F)c1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937846 195253978 /nfs/dbraw/zinc/25/39/78/195253978.db2.gz KNPRLVHNZXYFHG-QFIPXVFZSA-N 0 0 457.571 4.223 50 0 JIAARN CCn1cc2nc(SCC(=O)Nc3cccc(Cl)c3)n(Cc3ccc(C)cc3)c(=O)c2n1 ZINC000020981604 195259018 /nfs/dbraw/zinc/25/90/18/195259018.db2.gz KAYCZLAEHQWURL-UHFFFAOYSA-N 0 0 467.982 4.354 50 0 JIAARN COc1ccc(-c2noc(N3CCC[C@H](C(=O)N4CCC(Cc5ccccc5)CC4)C3)n2)cc1 ZINC000020923963 195248875 /nfs/dbraw/zinc/24/88/75/195248875.db2.gz AANSWWOUIFGAKY-QHCPKHFHSA-N 0 0 460.578 4.443 50 0 JIAARN COc1ccc([C@@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)N2CCOCC2)cc1 ZINC000020926838 195249320 /nfs/dbraw/zinc/24/93/20/195249320.db2.gz DERRVUQJGLAMNN-MUUNZHRXSA-N 0 0 496.611 4.410 50 0 JIAARN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1ccccc1C(F)(F)F ZINC000020932005 195251566 /nfs/dbraw/zinc/25/15/66/195251566.db2.gz GDGXJORUBHLGFX-IBGZPJMESA-N 0 0 480.483 4.214 50 0 JIAARN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1ccccc1C(F)(F)F ZINC000020932011 195251658 /nfs/dbraw/zinc/25/16/58/195251658.db2.gz GDGXJORUBHLGFX-LJQANCHMSA-N 0 0 480.483 4.214 50 0 JIAARN O=C(NCCc1cccs1)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 ZINC000020933935 195252171 /nfs/dbraw/zinc/25/21/71/195252171.db2.gz LHWALRJNKSBRJA-IBGZPJMESA-N 0 0 491.592 4.075 50 0 JIAARN COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)n2)c1 ZINC000020989169 195261679 /nfs/dbraw/zinc/26/16/79/195261679.db2.gz NRVXHFAXDRZKBN-HXUWFJFHSA-N 0 0 487.603 4.009 50 0 JIAARN COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)n2)c1 ZINC000020989166 195261839 /nfs/dbraw/zinc/26/18/39/195261839.db2.gz NRVXHFAXDRZKBN-FQEVSTJZSA-N 0 0 487.603 4.009 50 0 JIAARN Cc1nn(-c2ccccc2)c2c1N(CCCC(=O)N[C@@H](C)c1ccc3c(c1)OCCO3)C(=O)CS2 ZINC000020992148 195262477 /nfs/dbraw/zinc/26/24/77/195262477.db2.gz LLRSQMFWRXCLJD-KRWDZBQOSA-N 0 0 492.601 4.048 50 0 JIAARN Cc1nn(-c2ccccc2)c2c1N(CCCC(=O)N[C@H](C)c1ccc3c(c1)OCCO3)C(=O)CS2 ZINC000020992144 195262498 /nfs/dbraw/zinc/26/24/98/195262498.db2.gz LLRSQMFWRXCLJD-QGZVFWFLSA-N 0 0 492.601 4.048 50 0 JIAARN O=C(Cc1cccs1)N1CCC(Oc2cccc(CN3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000020993376 195262658 /nfs/dbraw/zinc/26/26/58/195262658.db2.gz ZSCDALZFBVOPFN-UHFFFAOYSA-N 0 0 490.673 4.073 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3ccc(C)c(NC(=O)C4=CSCCO4)c3)C[C@@H]2C)c1 ZINC000021019617 195267274 /nfs/dbraw/zinc/26/72/74/195267274.db2.gz FAWOLBMXBUXIAJ-IBGZPJMESA-N 0 0 451.592 4.198 50 0 JIAARN COc1ccc(C2=NCC(=O)N(CC(=O)Nc3ccc(F)cc3)c3sc4c(c32)CCC4)cc1 ZINC000021021693 195267497 /nfs/dbraw/zinc/26/74/97/195267497.db2.gz WLOABWLGPWAFPE-UHFFFAOYSA-N 0 0 463.534 4.207 50 0 JIAARN COc1cc(CN2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)ccc1OC(C)C ZINC000021040204 195270621 /nfs/dbraw/zinc/27/06/21/195270621.db2.gz AGJGMUQFNRULOS-UHFFFAOYSA-N 0 0 491.611 4.296 50 0 JIAARN CCOC(=O)C1CCC(CNC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)CC1 ZINC000021037546 195270097 /nfs/dbraw/zinc/27/00/97/195270097.db2.gz SPEDWJUEFHANMO-UDJZJCJKSA-N 0 0 462.550 4.495 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)N2CCc3cc(OCC)c(OCC)cc3[C@H]2CC(=O)OC)cc1 ZINC000021044075 195271267 /nfs/dbraw/zinc/27/12/67/195271267.db2.gz KYSNYSWGJLIINQ-OAQYLSRUSA-N 0 0 484.549 4.355 50 0 JIAARN CS(=O)(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)cc1 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/nfs/dbraw/zinc/30/46/78/195304678.db2.gz AENHHXABVQZSCO-QHCPKHFHSA-N 0 0 482.515 4.363 50 0 JIAARN CC(C)Cn1cnc2nc(CSc3ccccc3NC(=O)/C=C/c3ccccc3)cc(=O)n21 ZINC000021525756 195304778 /nfs/dbraw/zinc/30/47/78/195304778.db2.gz NUKPWSNVPNPKLR-OUKQBFOZSA-N 0 0 459.575 4.491 50 0 JIAARN CCCCn1cc(S(=O)(=O)c2cc(C)ccc2C)c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000021528072 195306168 /nfs/dbraw/zinc/30/61/68/195306168.db2.gz CKQWFFSGIHFKNH-UHFFFAOYSA-N 0 0 472.582 4.227 50 0 JIAARN O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021533402 195310018 /nfs/dbraw/zinc/31/00/18/195310018.db2.gz CZWQTCAZSBRHBW-UHFFFAOYSA-N 0 0 496.946 4.040 50 0 JIAARN CCOc1ccc(-c2cc(C(=O)N(Cc3ccc(CC)cc3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000021786719 195321465 /nfs/dbraw/zinc/32/14/65/195321465.db2.gz IMQDQBZNHJXGNT-OAQYLSRUSA-N 0 0 468.575 4.132 50 0 JIAARN Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)nc(C)n2)cc1 ZINC000021794767 195322232 /nfs/dbraw/zinc/32/22/32/195322232.db2.gz UQLMTUAYYNKWBX-UHFFFAOYSA-N 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/nfs/dbraw/zinc/63/92/33/519639233.db2.gz DXSGTPDPJAKVHN-OSFYOIPJSA-N 0 0 497.661 4.324 50 0 JIAARN CC(=O)NCc1ccc(-c2nc(NC(=O)c3cncc(Br)c3)sc2C)s1 ZINC000030157283 519675311 /nfs/dbraw/zinc/67/53/11/519675311.db2.gz YRKUJGPPOWKIJY-UHFFFAOYSA-N 0 0 451.371 4.226 50 0 JIAARN CC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NCc2ccc(C)o2)CC1 ZINC000033069469 519702044 /nfs/dbraw/zinc/70/20/44/519702044.db2.gz SRAASXVJPKYZKH-UHFFFAOYSA-N 0 0 469.973 4.227 50 0 JIAARN CC(=O)Nc1c2cc(F)ccc2n2c1C(=O)N(Cc1ccccc1F)[C@@](C)(C(=O)NC1CCCC1)C2 ZINC000021866430 519702622 /nfs/dbraw/zinc/70/26/22/519702622.db2.gz MQSMBBCSNCIWOL-HHHXNRCGSA-N 0 0 494.542 4.351 50 0 JIAARN CC(=O)Nc1c2cc(F)ccc2n2c1C(=O)N(Cc1ccccc1F)[C@@](C)(C(=O)NCCC(C)C)C2 ZINC000021866185 519702684 /nfs/dbraw/zinc/70/26/84/519702684.db2.gz OJORLYRNSQFXHQ-HHHXNRCGSA-N 0 0 496.558 4.455 50 0 JIAARN CC(=O)Nc1cc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCC3)no2)ccc1C ZINC000035459925 519702902 /nfs/dbraw/zinc/70/29/02/519702902.db2.gz WPAARCTXISMSLM-UHFFFAOYSA-N 0 0 458.522 4.033 50 0 JIAARN CC(C)NC(=O)c1ccc2c(c1)nc(SCc1ccccc1F)n(C[C@H]1CCCO1)c2=O ZINC000033269196 519718091 /nfs/dbraw/zinc/71/80/91/519718091.db2.gz LVCQPGUNXSYPNT-GOSISDBHSA-N 0 0 455.555 4.145 50 0 JIAARN CC(C)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3nc4ccccc4n3C)CC2)C1=O ZINC000014753851 519719584 /nfs/dbraw/zinc/71/95/84/519719584.db2.gz AJKFHZIKOSEDKB-UHFFFAOYSA-N 0 0 473.621 4.071 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)cc1 ZINC000016890468 519722917 /nfs/dbraw/zinc/72/29/17/519722917.db2.gz CGBCTTUSFAVJMJ-UHFFFAOYSA-N 0 0 488.617 4.139 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000033271784 519726320 /nfs/dbraw/zinc/72/63/20/519726320.db2.gz MIQXGJDXAQBHMP-UHFFFAOYSA-N 0 0 458.375 4.160 50 0 JIAARN CC(C)CNC(=O)CN1c2c(c(-c3ccccc3)nn2C)[C@H](c2ccc(F)cc2F)SCC1=O ZINC000037427515 519734714 /nfs/dbraw/zinc/73/47/14/519734714.db2.gz OOETVTGIVCOBAF-DEOSSOPVSA-N 0 0 484.572 4.307 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(F)cc(F)c2)c1 ZINC000067217708 519742381 /nfs/dbraw/zinc/74/23/81/519742381.db2.gz GFTUWJKVHHCCFL-UHFFFAOYSA-N 0 0 486.525 4.415 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c1 ZINC000026090584 519742424 /nfs/dbraw/zinc/74/24/24/519742424.db2.gz PBPUSYXHUZVJSC-UHFFFAOYSA-N 0 0 450.545 4.136 50 0 JIAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1C ZINC000008826379 519761013 /nfs/dbraw/zinc/76/10/13/519761013.db2.gz BFQFXIFQZILBQE-JOCHJYFZSA-N 0 0 471.586 4.046 50 0 JIAARN CC(C)Oc1ccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4ccccc4F)c3=O)n2)cc1 ZINC000048987075 519778174 /nfs/dbraw/zinc/77/81/74/519778174.db2.gz IPKSHNLWYCCUPA-UHFFFAOYSA-N 0 0 478.505 4.239 50 0 JIAARN CC(C)Oc1ccc(-c2noc(-c3cn(C)c4cc(N5CCOCC5)c(F)cc4c3=O)n2)cc1 ZINC000033255978 519778289 /nfs/dbraw/zinc/77/82/89/519778289.db2.gz ABURXLHYWQADBB-UHFFFAOYSA-N 0 0 464.497 4.018 50 0 JIAARN CC(C)c1ccc(-n2nc(C(=O)N[C@@H](C)c3ccccc3)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036087780 519834147 /nfs/dbraw/zinc/83/41/47/519834147.db2.gz ILEHGOMOJOMUEG-FQEVSTJZSA-N 0 0 468.557 4.057 50 0 JIAARN CC(C)c1ccc(NC(=O)CN2c3cc(C(=O)N4CCCC4)ccc3N3CCC[C@H]3C2=O)cc1 ZINC000033265835 519836993 /nfs/dbraw/zinc/83/69/93/519836993.db2.gz WSKUVDQMFHLUKG-QHCPKHFHSA-N 0 0 460.578 4.000 50 0 JIAARN CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C[C@@H]4CCCO4)CC(=O)N23)cc1 ZINC000002096429 519839732 /nfs/dbraw/zinc/83/97/32/519839732.db2.gz IDZGCRJCHQXFPW-IUGBQFMMSA-N 0 0 457.574 4.155 50 0 biogenic JIAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)Nc3ccc(C(C)C)cc3)nn2)CC1 ZINC000065315275 519867681 /nfs/dbraw/zinc/86/76/81/519867681.db2.gz NQFAZYJBWYOBIC-UHFFFAOYSA-N 0 0 455.628 4.073 50 0 JIAARN CCCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000015772083 519877382 /nfs/dbraw/zinc/87/73/82/519877382.db2.gz PGUJXUQRXXSGJO-UHFFFAOYSA-N 0 0 454.552 4.294 50 0 JIAARN CCCC(=O)c1sc(NC(=O)CSc2nc(=O)c3c(C)c(C(C)=O)sc3[nH]2)nc1C ZINC000094992767 519881483 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CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000033297895 521196025 /nfs/dbraw/zinc/19/60/25/521196025.db2.gz YIHCEVCNVALQGH-KAMYIIQDSA-N 0 0 480.590 4.013 50 0 JIAARN CCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)[C@@H](C)C3)cc1 ZINC000065003447 521203423 /nfs/dbraw/zinc/20/34/23/521203423.db2.gz GRJHFNCAHKKKJQ-SFHVURJKSA-N 0 0 480.586 4.164 50 0 JIAARN CCOC(=O)[C@H](C)Oc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1Cl ZINC000016474503 521216676 /nfs/dbraw/zinc/21/66/76/521216676.db2.gz OEHHHGVHEVLIQV-XOBRGWDASA-N 0 0 473.982 4.102 50 0 JIAARN CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000064977040 521218125 /nfs/dbraw/zinc/21/81/25/521218125.db2.gz YQECGCBSUCEWDU-UHFFFAOYSA-N 0 0 498.004 4.370 50 0 JIAARN CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(OC)cc4OC)C3)n2)c1 ZINC000033289791 521219211 /nfs/dbraw/zinc/21/92/11/521219211.db2.gz AMRVHOJQDGMBIM-QGZVFWFLSA-N 0 0 464.522 4.122 50 0 JIAARN CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(OC)c(OC)c4)C3)n2)c1 ZINC000033289868 521221366 /nfs/dbraw/zinc/22/13/66/521221366.db2.gz SJEUGKCXYPHVRU-SFHVURJKSA-N 0 0 464.522 4.122 50 0 JIAARN CCCCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)cc1 ZINC000044839769 521278780 /nfs/dbraw/zinc/27/87/80/521278780.db2.gz BABWDISKDGNWKI-UHFFFAOYSA-N 0 0 455.558 4.387 50 0 JIAARN CCOc1ccc2nc(NC(=O)Cn3nc(C(=O)N4CCCCC4)c4ccccc43)sc2c1 ZINC000033115913 521305473 /nfs/dbraw/zinc/30/54/73/521305473.db2.gz DOCWMCWCPAAOSE-UHFFFAOYSA-N 0 0 463.563 4.310 50 0 JIAARN CCCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)C3CCC3)CC2)n1 ZINC000037378675 521312161 /nfs/dbraw/zinc/31/21/61/521312161.db2.gz HNMZPYMHYJMSRY-UHFFFAOYSA-N 0 0 464.589 4.444 50 0 JIAARN CCCCc1nn2c(nc(COc3cccc(NC(=O)c4cccc(OC)c4)c3)cc2=O)s1 ZINC000013368283 521313567 /nfs/dbraw/zinc/31/35/67/521313567.db2.gz NMVDGWBAIDACDR-UHFFFAOYSA-N 0 0 464.547 4.334 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCc3ccc(SC)cc3)CC2)c1C ZINC000046046301 521365469 /nfs/dbraw/zinc/36/54/69/521365469.db2.gz JEHFEQHDXQGRRH-UHFFFAOYSA-N 0 0 485.650 4.018 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2cccc(C)c2)c1C ZINC000085712893 521366828 /nfs/dbraw/zinc/36/68/28/521366828.db2.gz YKGKEBVRUOLFFP-UHFFFAOYSA-N 0 0 484.574 4.236 50 0 JIAARN CCOC(=O)c1[nH]c(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccccc2F)c(C)c1C ZINC000013360785 521368451 /nfs/dbraw/zinc/36/84/51/521368451.db2.gz KEKCPDRDIKEOTH-UHFFFAOYSA-N 0 0 474.554 4.347 50 0 JIAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000012524953 521370318 /nfs/dbraw/zinc/37/03/18/521370318.db2.gz JQWCYLKCLNYEJN-UHFFFAOYSA-N 0 0 453.564 4.254 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C ZINC000035484051 521377254 /nfs/dbraw/zinc/37/72/54/521377254.db2.gz NPESSBFPBKYVPN-UHFFFAOYSA-N 0 0 459.974 4.020 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([C@H](C)C(=O)NCc3cccc(Cl)c3)CC2)c1C ZINC000033024087 521378003 /nfs/dbraw/zinc/37/80/03/521378003.db2.gz FAZJEHQGUXCNDE-HNNXBMFYSA-N 0 0 474.001 4.266 50 0 JIAARN CCCc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1 ZINC000046124621 521406783 /nfs/dbraw/zinc/40/67/83/521406783.db2.gz AEFFOGQBFBHTGO-SFHVURJKSA-N 0 0 470.620 4.311 50 0 JIAARN CCOC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)sc2c1CCCC2 ZINC000002837126 521408808 /nfs/dbraw/zinc/40/88/08/521408808.db2.gz OBBUIYSNUUQEQL-UHFFFAOYSA-N 0 0 485.027 4.170 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc4c(c3)OCCO4)on1)CCCC2 ZINC000011916004 521418616 /nfs/dbraw/zinc/41/86/16/521418616.db2.gz NUWWKDWDDNUHPR-UHFFFAOYSA-N 0 0 454.504 4.482 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nc(=O)n3cccc(C)c3n1)CCCCC2 ZINC000016689564 521419397 /nfs/dbraw/zinc/41/93/97/521419397.db2.gz ZZTWLJPUVZLZSN-AWEZNQCLSA-N 0 0 486.619 4.024 50 0 JIAARN CCOc1ccccc1-c1noc(-c2cn(CC)c3cc(N4CCOCC4)c(F)cc3c2=O)n1 ZINC000033255996 521443484 /nfs/dbraw/zinc/44/34/84/521443484.db2.gz QZHOSFKGXZRGGX-UHFFFAOYSA-N 0 0 464.497 4.113 50 0 JIAARN CCOC(=O)c1ccc(-c2coc3cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc3c2=O)o1 ZINC000002124332 521460476 /nfs/dbraw/zinc/46/04/76/521460476.db2.gz LBNUFSCUZUOCIX-ZDUSSCGKSA-N 0 0 471.462 4.048 50 0 biogenic JIAARN CCOc1ccccc1CNC(=O)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Br)n1)(C3)C2 ZINC000002765960 521487757 /nfs/dbraw/zinc/48/77/57/521487757.db2.gz WVOQAFXMESUOTC-MBWAJUJLSA-N 0 0 459.388 4.051 50 0 JIAARN CCOc1ccccc1CNC(=O)C1CCN(c2nccn3nc(-c4cccc(OC)c4)cc23)CC1 ZINC000033266700 521489285 /nfs/dbraw/zinc/48/92/85/521489285.db2.gz CQWONRAMARAQQE-UHFFFAOYSA-N 0 0 485.588 4.336 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N2[C@H](C)CCC[C@@H]2C)ccc1C ZINC000017889333 521497227 /nfs/dbraw/zinc/49/72/27/521497227.db2.gz HSCRFQGGNBIWAM-BGYRXZFFSA-N 0 0 472.607 4.157 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1 ZINC000014329631 521498540 /nfs/dbraw/zinc/49/85/40/521498540.db2.gz DRFJLFNUBJHVMQ-UHFFFAOYSA-N 0 0 479.606 4.405 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCC2)cc1 ZINC000008591534 521499063 /nfs/dbraw/zinc/49/90/63/521499063.db2.gz RSQGGTWTBMEFHC-JOCHJYFZSA-N 0 0 463.534 4.280 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)CCOc2ccc(F)cc2)c1 ZINC000024386963 521500729 /nfs/dbraw/zinc/50/07/29/521500729.db2.gz TVHCGVXJSOCAAI-UHFFFAOYSA-N 0 0 456.539 4.192 50 0 JIAARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccs3)co2)s1 ZINC000016047905 521503814 /nfs/dbraw/zinc/50/38/14/521503814.db2.gz HIYAZJBKVVSGJB-UHFFFAOYSA-N 0 0 465.578 4.439 50 0 JIAARN CCOc1ccccc1N(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016276385 521510407 /nfs/dbraw/zinc/51/04/07/521510407.db2.gz OUSALSYXUPYSKW-UHFFFAOYSA-N 0 0 450.988 4.383 50 0 JIAARN CCOc1ccccc1N1CCN(C(=O)CSc2nccnc2Oc2ccccc2C)CC1 ZINC000065111127 521516573 /nfs/dbraw/zinc/51/65/73/521516573.db2.gz VNYOPPJHBVUSMS-UHFFFAOYSA-N 0 0 464.591 4.417 50 0 JIAARN CCN1C(=O)COc2ccc(-c3noc(-c4ccc(CS(=O)(=O)c5ccc(C)cc5)cc4)n3)cc21 ZINC000065098291 521520891 /nfs/dbraw/zinc/52/08/91/521520891.db2.gz ITYGHDBVPLHFOU-UHFFFAOYSA-N 0 0 489.553 4.431 50 0 JIAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)N(CCCc2ccccc2)C1=S ZINC000001185342 521533451 /nfs/dbraw/zinc/53/34/51/521533451.db2.gz BIMBMDYDLFFWAE-IBGZPJMESA-N 0 0 474.424 4.228 50 0 JIAARN CCOc1ccccc1NC(=O)Cn1nc(SC)c(-c2nc(-c3cccc(C)c3)no2)c1N ZINC000046915238 521535442 /nfs/dbraw/zinc/53/54/42/521535442.db2.gz KJKRGHLHYXKEEO-UHFFFAOYSA-N 0 0 464.551 4.250 50 0 JIAARN CCOc1ccccc1NC(=O)Cn1c2nc(SCC)sc2c(=O)n(-c2ccc(C)cc2)c1=O ZINC000049004107 521535469 /nfs/dbraw/zinc/53/54/69/521535469.db2.gz GBUNZTBYGLTWOP-UHFFFAOYSA-N 0 0 496.614 4.067 50 0 JIAARN CCCc1nc2c(c(=O)n1CC(=O)Nc1cccc(Br)c1)CCN(Cc1ccccc1)C2 ZINC000035457198 521538551 /nfs/dbraw/zinc/53/85/51/521538551.db2.gz KTRSWDGMEZUAET-UHFFFAOYSA-N 0 0 495.421 4.155 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)NC2CCN(c3nc4ccccc4n(CC(C)C)c3=O)CC2)c1 ZINC000033290684 521539635 /nfs/dbraw/zinc/53/96/35/521539635.db2.gz MSWHLMMRLVVBBK-UHFFFAOYSA-N 0 0 491.592 4.020 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1 ZINC000009712896 521551148 /nfs/dbraw/zinc/55/11/48/521551148.db2.gz APYANOQJVQAQRO-UHFFFAOYSA-N 0 0 459.531 4.237 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033273078 521553682 /nfs/dbraw/zinc/55/36/82/521553682.db2.gz LLWHYSLXPLPHAZ-UHFFFAOYSA-N 0 0 479.562 4.379 50 0 JIAARN CCCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(O)c(OC)c2)s1 ZINC000002333341 521558968 /nfs/dbraw/zinc/55/89/68/521558968.db2.gz AITFEBQEIXSQDK-FQEVSTJZSA-N 0 0 463.515 4.369 50 0 JIAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000046005959 521607489 /nfs/dbraw/zinc/60/74/89/521607489.db2.gz IEWQBQPJMTWHJO-UHFFFAOYSA-N 0 0 484.604 4.112 50 0 JIAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1 ZINC000036321633 521609650 /nfs/dbraw/zinc/60/96/50/521609650.db2.gz QTGZRPJMFZSATR-UHFFFAOYSA-N 0 0 465.575 4.058 50 0 JIAARN CCOC(=O)c1sc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc(O)c2)nc1C ZINC000016806266 521611827 /nfs/dbraw/zinc/61/18/27/521611827.db2.gz JGPNPCPOHFXWNY-GOSISDBHSA-N 0 0 480.473 4.329 50 0 JIAARN CCOC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2cccc(C)c2)[C@@H](C)C1 ZINC000012414321 521618875 /nfs/dbraw/zinc/61/88/75/521618875.db2.gz OGSCKFWLPNOINK-KRWDZBQOSA-N 0 0 458.605 4.286 50 0 aggregator JIAARN CCCN(CC1CC1)C(=O)c1cn(C[C@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O ZINC000014955260 521625099 /nfs/dbraw/zinc/62/50/99/521625099.db2.gz ZNWLXXAQBKSEGM-JOCHJYFZSA-N 0 0 471.642 4.132 50 0 JIAARN CCCn1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C)cc4C)CC3)cc2sc1=O ZINC000065022312 521637167 /nfs/dbraw/zinc/63/71/67/521637167.db2.gz UUCWZTUGLXMITJ-UHFFFAOYSA-N 0 0 487.647 4.129 50 0 JIAARN CCCn1c2ccccc2nc(N2CCC(NC(=O)Nc3ccccc3Br)CC2)c1=O ZINC000033290648 521639201 /nfs/dbraw/zinc/63/92/01/521639201.db2.gz CLUYOKXXEDWYCB-UHFFFAOYSA-N 0 0 484.398 4.360 50 0 JIAARN CCS(=O)(=O)Nc1ccc(-c2noc(-c3ccc(C)c(NC(=O)c4ccco4)c3)n2)cc1 ZINC000033122750 521684499 /nfs/dbraw/zinc/68/44/99/521684499.db2.gz UAAAMZNZNDRUIL-UHFFFAOYSA-N 0 0 452.492 4.319 50 0 JIAARN CCCN(Cc1csc(COc2ccc(OC)cc2)n1)S(=O)(=O)c1ccc(OC)cc1 ZINC000036115319 521693311 /nfs/dbraw/zinc/69/33/11/521693311.db2.gz CSUBLLFUKIILLD-UHFFFAOYSA-N 0 0 462.593 4.340 50 0 JIAARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)Nc3ccccc3OC)cc2)C(C(=O)OC)=C1C ZINC000035711931 521701272 /nfs/dbraw/zinc/70/12/72/521701272.db2.gz IDYFLYAWHBNEDK-OAQYLSRUSA-N 0 0 452.511 4.263 50 0 JIAARN CCN1c2cc(C(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)ccc2[S@@](=O)c2ccccc2C1=O ZINC000008597249 521730220 /nfs/dbraw/zinc/73/02/20/521730220.db2.gz YBXJXYAGIYZEGP-OTASCSKISA-N 0 0 487.625 4.493 50 0 JIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)[C@@H](C)CC ZINC000036122437 521739334 /nfs/dbraw/zinc/73/93/34/521739334.db2.gz ZDIJENKZIMOMEF-PKOBYXMFSA-N 0 0 459.612 4.092 50 0 JIAARN CCNC(=O)[C@@H]1[C@@H](c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccc(F)cc1 ZINC000036218112 521744972 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Cc1cccc(O[C@H](C)C(=O)Nc2ccc(SCc3cc(=O)n4c(ncn4C(C)C)n3)cc2)c1 ZINC000021797721 524781081 /nfs/dbraw/zinc/78/10/81/524781081.db2.gz DYIIHVXENHGCAN-GOSISDBHSA-N 0 0 477.590 4.479 50 0 JIAARN COc1ccccc1[C@H](NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1nccn1C ZINC000022750160 524795651 /nfs/dbraw/zinc/79/56/51/524795651.db2.gz RBLPNBKWYAMHFE-VWLOTQADSA-N 0 0 460.534 4.061 50 0 JIAARN COc1ccc(OC)c(C(=O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN32)c1 ZINC000043726997 524810105 /nfs/dbraw/zinc/81/01/05/524810105.db2.gz XNTOPXWHZWCKPS-QYOOZWMWSA-N 0 0 486.568 4.230 50 0 JIAARN COc1ccc(OC)c(CN(Cc2nc(C(=O)NCC3CC3)co2)Cc2ccc(F)cc2)c1 ZINC000036068826 524824433 /nfs/dbraw/zinc/82/44/33/524824433.db2.gz OLLKDSHAUDQMIG-UHFFFAOYSA-N 0 0 453.514 4.173 50 0 JIAARN COc1ccc(OC)c(CNC(=O)CSc2cc(C)nc3c(-c4ccc(F)cc4)cnn32)c1 ZINC000033268990 524829869 /nfs/dbraw/zinc/82/98/69/524829869.db2.gz GUVSYPLGNVBBPD-UHFFFAOYSA-N 0 0 466.538 4.270 50 0 JIAARN COc1ccc(OC)c(CNC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000033128242 524832691 /nfs/dbraw/zinc/83/26/91/524832691.db2.gz CHXOYXLWOUMTIN-OAHLLOKOSA-N 0 0 473.982 4.009 50 0 JIAARN COc1ccc(OC)c(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000033331944 524842890 /nfs/dbraw/zinc/84/28/90/524842890.db2.gz GIXCUQMUWCBODR-ZTBAGHRESA-N 0 0 465.550 4.366 50 0 JIAARN COc1ccc(OC)c(NC(=O)COC(=O)/C=C\c2c(C)nn(-c3ccc(F)cc3)c2Cl)c1 ZINC000033504693 524850357 /nfs/dbraw/zinc/85/03/57/524850357.db2.gz DEECGBNXEMWCCE-LUAWRHEFSA-N 0 0 473.888 4.186 50 0 JIAARN COc1ccc(OC)c(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)c1 ZINC000064930855 524856975 /nfs/dbraw/zinc/85/69/75/524856975.db2.gz SKNTWRXSKBKFSH-KRWDZBQOSA-N 0 0 489.504 4.455 50 0 JIAARN COc1ccc(OC)c(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc32)c1 ZINC000033249340 524882734 /nfs/dbraw/zinc/88/27/34/524882734.db2.gz LPZIPIDZMDFCOE-UHFFFAOYSA-N 0 0 474.966 4.364 50 0 JIAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)NCc2ccc(F)cc2)c1 ZINC000036045526 524897643 /nfs/dbraw/zinc/89/76/43/524897643.db2.gz CKCVAYCBBNNJQE-BJKOFHAPSA-N 0 0 462.521 4.015 50 0 JIAARN COc1ccc(OC)c([C@@H]2SCCN2C(=O)c2cc3cc(Br)ccc3oc2=O)c1 ZINC000002501329 524899858 /nfs/dbraw/zinc/89/98/58/524899858.db2.gz SNLRIJFJXTZUAN-FQEVSTJZSA-N 0 0 476.348 4.461 50 0 JIAARN COc1ccc(OC)c([C@H]2CN(C(=O)C3CCCC3)C[C@@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036059542 524914361 /nfs/dbraw/zinc/91/43/61/524914361.db2.gz BABAFNFFFTUDOV-RPWUZVMVSA-N 0 0 450.579 4.095 50 0 JIAARN C[C@H](NC(=O)C1CCN(c2nc3ccsc3c(=O)n2-c2ccc(F)cc2)CC1)c1cccnc1 ZINC000033302344 524914721 /nfs/dbraw/zinc/91/47/21/524914721.db2.gz GZRUWBKEGUSTAR-INIZCTEOSA-N 0 0 477.565 4.075 50 0 JIAARN Cc1ccc(N2C(=O)C[C@@H](C(=O)N3CCN(C(=O)c4cccs4)CC3)[C@H]2c2cccs2)cc1 ZINC000016694915 524922360 /nfs/dbraw/zinc/92/23/60/524922360.db2.gz GSFIMRKJOXCIOX-XXBNENTESA-N 0 0 479.627 4.197 50 0 JIAARN COc1ccc(OC)c2c1cc1n2C[C@](C)(C(=O)NC2CCCC2)N(Cc2cccs2)C1=O ZINC000021857767 524923611 /nfs/dbraw/zinc/92/36/11/524923611.db2.gz HDNGRBIQLMJALG-RUZDIDTESA-N 0 0 467.591 4.194 50 0 JIAARN COc1ccc(OC)c2c1cc1n2C[C@](C)(C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C1=O ZINC000021857713 524924762 /nfs/dbraw/zinc/92/47/62/524924762.db2.gz XOUCONAHUFHXFP-MUUNZHRXSA-N 0 0 475.589 4.440 50 0 JIAARN C[C@H](NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccc(-c2ccccc2)cc1 ZINC000022790899 524952732 /nfs/dbraw/zinc/95/27/32/524952732.db2.gz SVJNWRSXCKJJER-NRFANRHFSA-N 0 0 491.035 4.441 50 0 JIAARN COc1ccc(OCc2nnc(C(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)s2)cc1OC ZINC000033031957 524976787 /nfs/dbraw/zinc/97/67/87/524976787.db2.gz OMDFIBIZCNEQNS-UHFFFAOYSA-N 0 0 482.562 4.059 50 0 JIAARN COc1ccc(OCc2nnc(SCC(=O)N(C)c3ccccc3)n2Cc2ccco2)cc1 ZINC000002635609 524977067 /nfs/dbraw/zinc/97/70/67/524977067.db2.gz LRRUTCSOGJARMK-UHFFFAOYSA-N 0 0 464.547 4.262 50 0 JIAARN COc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)ncc1C(=O)N[C@H](C)c1ccccc1 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Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccccc3I)cc2)n1 ZINC000033078129 525026208 /nfs/dbraw/zinc/02/62/08/525026208.db2.gz DJQAFTOOFHYGLH-UHFFFAOYSA-N 0 0 473.318 4.452 50 0 JIAARN Cc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc43)CC2)cc1F ZINC000020377476 525026446 /nfs/dbraw/zinc/02/64/46/525026446.db2.gz WMWZVNNYJOTPLZ-UHFFFAOYSA-N 0 0 455.555 4.406 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccccc3F)s2)cc1Cl ZINC000064941833 525031483 /nfs/dbraw/zinc/03/14/83/525031483.db2.gz YDWRSGVEOCEKOQ-MRXNPFEDSA-N 0 0 496.973 4.117 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)cc1Cl ZINC000064956268 525037516 /nfs/dbraw/zinc/03/75/16/525037516.db2.gz QWZUCAXBETZNJE-UHFFFAOYSA-N 0 0 496.416 4.472 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCN(Cc3nc4cc(-c5ccccc5)ccc4o3)CC2)cc1OC ZINC000064957140 525037636 /nfs/dbraw/zinc/03/76/36/525037636.db2.gz DSEJHSYAIUGXDQ-UHFFFAOYSA-N 0 0 493.585 4.019 50 0 JIAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(Br)c1 ZINC000009151852 525045793 /nfs/dbraw/zinc/04/57/93/525045793.db2.gz BIJAXFOXIDIAIP-UHFFFAOYSA-N 0 0 490.423 4.377 50 0 JIAARN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3C(C)C)Oc3ccccc32)cc1 ZINC000064986311 525047577 /nfs/dbraw/zinc/04/75/77/525047577.db2.gz JAPIZLQBJZRBIT-XMMPIXPASA-N 0 0 466.559 4.414 50 0 JIAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000064972336 525049648 /nfs/dbraw/zinc/04/96/48/525049648.db2.gz NDSUTECIZOJXOU-DEOSSOPVSA-N 0 0 450.560 4.066 50 0 JIAARN Cc1cc(N2CCC(C(=O)NCc3cccnc3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000033274939 525054732 /nfs/dbraw/zinc/05/47/32/525054732.db2.gz NZVDKYMRQMBNEO-UHFFFAOYSA-N 0 0 460.969 4.286 50 0 JIAARN Cc1ccc(NC(=O)CSc2nnc3ccc(C(=O)NCc4ccccc4)cn32)c(Cl)c1 ZINC000033284546 525086325 /nfs/dbraw/zinc/08/63/25/525086325.db2.gz AWOSNAYNUYULJN-UHFFFAOYSA-N 0 0 465.966 4.352 50 0 JIAARN COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc3c2=O)cc1 ZINC000002693209 525094463 /nfs/dbraw/zinc/09/44/63/525094463.db2.gz RQJOJSSFLMLHFZ-UHFFFAOYSA-N 0 0 482.945 4.135 50 0 JIAARN Cc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc5c(c4)OCO5)no3)c2=O)cc1C ZINC000016840022 525099935 /nfs/dbraw/zinc/09/99/35/525099935.db2.gz CXDUYSTZGSHASN-UHFFFAOYSA-N 0 0 472.501 4.166 50 0 JIAARN C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000008624415 525101747 /nfs/dbraw/zinc/10/17/47/525101747.db2.gz BQIDSGMJXRDYJV-WHLCRQNOSA-N 0 0 453.542 4.314 50 0 JIAARN C[C@@H](NC(=O)CN1C(=O)COc2ccc(C(=O)COc3cccc(Cl)c3)cc21)c1ccccc1 ZINC000037520041 525102112 /nfs/dbraw/zinc/10/21/12/525102112.db2.gz RYSHJYWVORCYIA-QGZVFWFLSA-N 0 0 478.932 4.205 50 0 JIAARN Cc1ccc(NC(=O)N2CCCN(c3ccc(=O)n(-c4ccc(Cl)cc4)n3)CC2)cc1C ZINC000033037543 525124414 /nfs/dbraw/zinc/12/44/14/525124414.db2.gz XENDLIKCDYKMBX-UHFFFAOYSA-N 0 0 451.958 4.247 50 0 JIAARN COc1ccc([C@@H](C)N(C)C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(Cc3cccnc3)C2=O)cc1 ZINC000012245216 525127469 /nfs/dbraw/zinc/12/74/69/525127469.db2.gz YTIUWHFYBVXJEG-GDJIYFAZSA-N 0 0 489.547 4.036 50 0 JIAARN Cc1cc(NC(=O)CN2c3cc(-c4cn(C)c5ccccc45)nn3CCC2=O)ccc1Br ZINC000021645480 525144598 /nfs/dbraw/zinc/14/45/98/525144598.db2.gz ZXDCNHGHSRWGIE-UHFFFAOYSA-N 0 0 492.377 4.488 50 0 JIAARN COc1ccc([C@@H](C)NC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)cc1OC ZINC000067261722 525145737 /nfs/dbraw/zinc/14/57/37/525145737.db2.gz IIRUYNVJKATIQQ-OAHLLOKOSA-N 0 0 463.925 4.491 50 0 JIAARN Cc1cc(NC(=O)C[C@H](CN(C)S(=O)(=O)c2ccc(Br)cc2)c2ccccc2)no1 ZINC000012446688 525160506 /nfs/dbraw/zinc/16/05/06/525160506.db2.gz PIJMDUILNFQXGK-QGZVFWFLSA-N 0 0 492.395 4.179 50 0 JIAARN Cc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)C1 ZINC000033302760 525160991 /nfs/dbraw/zinc/16/09/91/525160991.db2.gz YPTFCWAIOZJXEI-OAQYLSRUSA-N 0 0 490.604 4.487 50 0 JIAARN Cc1ccccc1CNC(=O)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)c1 ZINC000035458658 525165753 /nfs/dbraw/zinc/16/57/53/525165753.db2.gz HGQODPSHPKRIPE-RUZDIDTESA-N 0 0 453.542 4.076 50 0 JIAARN Cc1ccccc1CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2F)C1 ZINC000019858214 525178809 /nfs/dbraw/zinc/17/88/09/525178809.db2.gz QGKVJCBZYAKECH-OAHLLOKOSA-N 0 0 469.376 4.077 50 0 JIAARN CS(=O)(=O)N1CCc2cc(C(=O)N[C@H](c3ccccc3)c3ccc(OC(F)F)cc3)ccc21 ZINC000028294189 525185740 /nfs/dbraw/zinc/18/57/40/525185740.db2.gz UAKVWDFHHAOWSC-JOCHJYFZSA-N 0 0 472.513 4.130 50 0 JIAARN COc1ccc([C@@H](NC(=O)CSc2ncnc3sc(C)c(C)c32)c2nccn2C)cc1 ZINC000029132514 525194820 /nfs/dbraw/zinc/19/48/20/525194820.db2.gz KMSDFNFQVIYJJW-LJQANCHMSA-N 0 0 453.593 4.048 50 0 JIAARN Cc1ccccc1C[C@H](C1CCN(C(=O)c2ccc3ncccc3c2)CC1)N(C)C(=O)Cn1cccn1 ZINC000012246933 525198080 /nfs/dbraw/zinc/19/80/80/525198080.db2.gz YVXRROZIBXDVSE-MUUNZHRXSA-N 0 0 495.627 4.362 50 0 JIAARN Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3CN2)c(C)c1 ZINC000035485294 525217750 /nfs/dbraw/zinc/21/77/50/525217750.db2.gz CFQJYANOZLREKD-SVBPBHIXSA-N 0 0 466.585 4.165 50 0 biogenic JIAARN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(O)cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000002377546 525229527 /nfs/dbraw/zinc/22/95/27/525229527.db2.gz FRHBJFQSWJBTNF-SUAMDDGLSA-N 0 0 496.588 4.042 50 0 JIAARN COc1ccc([C@@H]2OC(=O)N(CCc3ccc(OC)c(OC)c3)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000012420533 525268524 /nfs/dbraw/zinc/26/85/24/525268524.db2.gz XVVHYBQRCLKVCZ-AHKZPQOWSA-N 0 0 479.529 4.302 50 0 JIAARN Cc1ccccc1OCC(=O)c1ccc2c(c1)N(CCCC(=O)Nc1ccccc1)C(=O)CO2 ZINC000037512127 525280747 /nfs/dbraw/zinc/28/07/47/525280747.db2.gz HVHJICDJGDQFJH-UHFFFAOYSA-N 0 0 458.514 4.401 50 0 JIAARN Cc1ccccc1OCC(=O)Nc1ccccc1SCc1cc(=O)n2c(ncn2CC(C)C)n1 ZINC000021797509 525281171 /nfs/dbraw/zinc/28/11/71/525281171.db2.gz DWKISSRQPJRGDU-UHFFFAOYSA-N 0 0 477.590 4.165 50 0 JIAARN COc1ccc([C@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000067237582 525308002 /nfs/dbraw/zinc/30/80/02/525308002.db2.gz HFLOKKCIWAZXMW-HNNXBMFYSA-N 0 0 466.538 4.139 50 0 JIAARN COc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000071328677 525392163 /nfs/dbraw/zinc/39/21/63/525392163.db2.gz FVALNZUKFJSGOO-QHCPKHFHSA-N 0 0 479.554 4.339 50 0 JIAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3[nH]2)cc1Br ZINC000021660748 525403026 /nfs/dbraw/zinc/40/30/26/525403026.db2.gz ZXFVKUKTKNKDAB-CYBMUJFWSA-N 0 0 452.312 4.302 50 0 JIAARN Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000002876191 525414317 /nfs/dbraw/zinc/41/43/17/525414317.db2.gz JVQINDRBDODTFC-UHFFFAOYSA-N 0 0 462.930 4.284 50 0 JIAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3F)C[C@H]2C(=O)NCc2ccccc2)c(OC)c1 ZINC000036059824 525422612 /nfs/dbraw/zinc/42/26/12/525422612.db2.gz JKPJTQZNKSEIGU-DHIUTWEWSA-N 0 0 462.521 4.015 50 0 JIAARN COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCCc2ccc(C)cc2)cc1 ZINC000020413970 525440769 /nfs/dbraw/zinc/44/07/69/525440769.db2.gz RWWGHROUDPSFRA-MHZLTWQESA-N 0 0 467.569 4.399 50 0 JIAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccccc3SCc3ccccc3)C2=O)cc1 ZINC000014067959 525444114 /nfs/dbraw/zinc/44/41/14/525444114.db2.gz JZKFJRRDSOIBGH-SANMLTNESA-N 0 0 475.570 4.393 50 0 JIAARN Cc1ccc(OCc2nc(C(=O)N[C@H]3CCCC[C@@H]3NC(=O)COCc3ccccc3)cs2)cc1 ZINC000034905366 525447564 /nfs/dbraw/zinc/44/75/64/525447564.db2.gz FVULCFROFRXFCB-GOTSBHOMSA-N 0 0 493.629 4.405 50 0 JIAARN COc1ccc([S@](=O)Cc2ccc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)o2)cc1 ZINC000020515029 525475502 /nfs/dbraw/zinc/47/55/02/525475502.db2.gz MROQUJIDNXEZSF-UMSFTDKQSA-N 0 0 480.630 4.281 50 0 JIAARN Cc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(S(=O)(=O)c2ccccc2)CC3)cc1 ZINC000037580549 525478454 /nfs/dbraw/zinc/47/84/54/525478454.db2.gz AXNXKUJWXVDGDE-UHFFFAOYSA-N 0 0 464.591 4.315 50 0 JIAARN Cc1ccc(S(=O)(=O)Cc2noc(-c3cccc(CS(=O)(=O)c4ccc(C)cc4)c3)n2)cc1 ZINC000033308485 525492959 /nfs/dbraw/zinc/49/29/59/525492959.db2.gz GSSGVWARYNKLKM-UHFFFAOYSA-N 0 0 482.583 4.301 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)c2cc(C)cc(C)c2)cc1 ZINC000016309589 525504022 /nfs/dbraw/zinc/50/40/22/525504022.db2.gz WYFPZAJKKMZWTK-UHFFFAOYSA-N 0 0 477.630 4.156 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c2ccc(C)c(C)c2)cc1 ZINC000008687570 525505853 /nfs/dbraw/zinc/50/58/53/525505853.db2.gz FEWLDUHAFCISPK-UHFFFAOYSA-N 0 0 469.632 4.111 50 0 JIAARN Cc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)c2nc3nc(C)c(Cl)c(C)n3n2)cc1 ZINC000021660086 525513868 /nfs/dbraw/zinc/51/38/68/525513868.db2.gz JIZSVKAPYPCJFQ-UHFFFAOYSA-N 0 0 459.934 4.238 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4cccc(-c5ccnn5C)c4)no3)C2)cc1 ZINC000065137185 525531550 /nfs/dbraw/zinc/53/15/50/525531550.db2.gz ZRQREDTZWBJNNW-HXUWFJFHSA-N 0 0 463.563 4.014 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)c(C)c1 ZINC000046124059 525535783 /nfs/dbraw/zinc/53/57/83/525535783.db2.gz DMIPHKZUVAWXTG-SFHVURJKSA-N 0 0 470.620 4.284 50 0 JIAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000040062935 525553186 /nfs/dbraw/zinc/55/31/86/525553186.db2.gz JYDDDZHNYPKXKZ-WIYYLYMNSA-N 0 0 462.999 4.388 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(Cl)cc3)Oc3cc(C)ccc32)cc1 ZINC000064986011 525554652 /nfs/dbraw/zinc/55/46/52/525554652.db2.gz PPDZBOFUBYABIQ-QHCPKHFHSA-N 0 0 470.978 4.230 50 0 JIAARN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCN(c4cc(C)ccc4C)CC3)CC2)cc1 ZINC000008814209 525565276 /nfs/dbraw/zinc/56/52/76/525565276.db2.gz SMZVOEOMFXQPAI-UHFFFAOYSA-N 0 0 483.678 4.045 50 0 JIAARN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000021872915 525576957 /nfs/dbraw/zinc/57/69/57/525576957.db2.gz ZUVYZALQTLXNHV-UHFFFAOYSA-N 0 0 452.454 4.015 50 0 JIAARN CSCC[C@H](NC(=O)c1nc(SC)ncc1Cl)C(=O)Nc1ccc(Br)cc1 ZINC000041156895 525593406 /nfs/dbraw/zinc/59/34/06/525593406.db2.gz QPIFPLBPIRTQFS-ZDUSSCGKSA-N 0 0 489.848 4.105 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccs3)ccc2N2CCCC2)cc1 ZINC000002912073 525593515 /nfs/dbraw/zinc/59/35/15/525593515.db2.gz SEBNWMSVVJRVIC-UHFFFAOYSA-N 0 0 455.605 4.388 50 0 JIAARN Cc1ccn(CC(=O)N(Cc2cccc(OCCc3ccccc3F)c2)C[C@@H]2CCCO2)n1 ZINC000012217497 525594027 /nfs/dbraw/zinc/59/40/27/525594027.db2.gz OIAQPZWDJNDNHL-DEOSSOPVSA-N 0 0 451.542 4.160 50 0 JIAARN COc1ccc2c(c1)c(NC(C)=O)c1n2C[C@](C)(C(=O)NCCC(C)C)N(C2CCCCC2)C1=O ZINC000021866117 525602578 /nfs/dbraw/zinc/60/25/78/525602578.db2.gz WUIUQHBJIIGWRP-HHHXNRCGSA-N 0 0 482.625 4.318 50 0 JIAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)Nc4ccc5c(c4)OCO5)ccc3C)nc2c1 ZINC000033068107 525607667 /nfs/dbraw/zinc/60/76/67/525607667.db2.gz CCLVRUYLZBTNEV-UHFFFAOYSA-N 0 0 458.474 4.263 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)cc1C ZINC000033026347 525618608 /nfs/dbraw/zinc/61/86/08/525618608.db2.gz ZIWDCZRFUANPEL-UHFFFAOYSA-N 0 0 451.573 4.404 50 0 JIAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(C(C)=O)cc3)c2c1 ZINC000008594609 525631527 /nfs/dbraw/zinc/63/15/27/525631527.db2.gz AHZUZIFMVDZSAU-UHFFFAOYSA-N 0 0 455.514 4.464 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC[C@@H]1CCCO1)N([C@@H]1CCCc2ccccc21)C3=O ZINC000033249187 525645252 /nfs/dbraw/zinc/64/52/52/525645252.db2.gz ITFMLFNTGBDAOX-IQANXLHVSA-N 0 0 487.600 4.237 50 0 JIAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4cccc(C(F)(F)F)c4)nc23)cc1 ZINC000033309386 525675088 /nfs/dbraw/zinc/67/50/88/525675088.db2.gz FDQLXEJVGJNMQU-UHFFFAOYSA-N 0 0 459.453 4.008 50 0 JIAARN Cc1c(C2=CCN(S(=O)(=O)c3c[nH]cn3)CC2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000021885515 525688244 /nfs/dbraw/zinc/68/82/44/525688244.db2.gz BECMOSSFLPVBKH-UHFFFAOYSA-N 0 0 450.539 4.338 50 0 JIAARN Cc1c(CC(=O)Nc2ccccc2F)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1 ZINC000021807618 525695400 /nfs/dbraw/zinc/69/54/00/525695400.db2.gz GFNNTRGFHVABKV-UHFFFAOYSA-N 0 0 467.504 4.235 50 0 JIAARN COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCN(Cc5ccccc5)CC4)c3n2)c1 ZINC000019860511 525705035 /nfs/dbraw/zinc/70/50/35/525705035.db2.gz JDWKNWAFOWRASC-UHFFFAOYSA-N 0 0 495.505 4.382 50 0 JIAARN COc1cccc(-c2cc3c(N4CCC(C(=O)NCc5ccccc5F)CC4)nccn3n2)c1 ZINC000033266704 525708870 /nfs/dbraw/zinc/70/88/70/525708870.db2.gz AAFVLHZOYROSLC-UHFFFAOYSA-N 0 0 459.525 4.077 50 0 JIAARN C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000033040062 525713820 /nfs/dbraw/zinc/71/38/20/525713820.db2.gz VPVBZGCULPSCRL-OAHLLOKOSA-N 0 0 465.472 4.142 50 0 JIAARN COc1cccc(-c2nn(C)cc2-c2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2C)c1 ZINC000065099127 525730919 /nfs/dbraw/zinc/73/09/19/525730919.db2.gz SGLDGPKRNWOZHL-UHFFFAOYSA-N 0 0 498.996 4.284 50 0 JIAARN COc1cccc(-c2nn(Cc3nc(-c4ccccc4OC)oc3C)c(=O)c3noc(C)c32)c1 ZINC000021883129 525732308 /nfs/dbraw/zinc/73/23/08/525732308.db2.gz NGEUOVRIKPYTRO-UHFFFAOYSA-N 0 0 458.474 4.389 50 0 JIAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)c3n2)cc1 ZINC000002770531 525732426 /nfs/dbraw/zinc/73/24/26/525732426.db2.gz LJLNWYQTZZYNKN-UHFFFAOYSA-N 0 0 491.498 4.367 50 0 JIAARN Cc1c(Cc2ccccc2)c(=O)nc2s/c(=C\c3ccc(-c4ccccc4Cl)o3)c(=O)n21 ZINC000027022581 525739190 /nfs/dbraw/zinc/73/91/90/525739190.db2.gz ZRZAPJTURZQYIE-HMAPJEAMSA-N 0 0 460.942 4.477 50 0 JIAARN COc1cccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000004654490 525742572 /nfs/dbraw/zinc/74/25/72/525742572.db2.gz RZQFGRTYUWLHJS-UHFFFAOYSA-N 0 0 462.579 4.399 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3n(Cc3nc(-c4ccc(Cl)c(F)c4)no3)c2=O)c1 ZINC000065112731 525743948 /nfs/dbraw/zinc/74/39/48/525743948.db2.gz PPZJKGAMBIXPFH-UHFFFAOYSA-N 0 0 484.896 4.113 50 0 JIAARN COc1cccc(-n2c3ncn(Cc4ccc(C(C)(C)C)cc4)c3c(=O)n(CC3CC3)c2=O)c1 ZINC000034693332 525749014 /nfs/dbraw/zinc/74/90/14/525749014.db2.gz TUYPVSCYMXIFKX-UHFFFAOYSA-N 0 0 458.562 4.113 50 0 JIAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4ccccc4F)C(C)C)CC3)nn2)cc1 ZINC000036070090 525752530 /nfs/dbraw/zinc/75/25/30/525752530.db2.gz JKRZDBQMONRZDY-UHFFFAOYSA-N 0 0 489.595 4.181 50 0 JIAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)CC(C)C)CC3)nn2)cc1 ZINC000036069476 525754492 /nfs/dbraw/zinc/75/44/92/525754492.db2.gz OHEBJLCBHUCTIV-UHFFFAOYSA-N 0 0 485.632 4.176 50 0 JIAARN Cc1ccc(-c2ccc(Nc3ccc4c(c3)OCCO4)nn2)cc1S(=O)(=O)N1CCCCC1 ZINC000065009296 525755079 /nfs/dbraw/zinc/75/50/79/525755079.db2.gz GRYYABWZOPYLIA-UHFFFAOYSA-N 0 0 466.563 4.141 50 0 JIAARN Cc1ccc([C@@H](NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C2CC2)cc1 ZINC000021650975 525767655 /nfs/dbraw/zinc/76/76/55/525767655.db2.gz PSNUCLYAFMHQAV-RUZDIDTESA-N 0 0 453.542 4.058 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)Cn1nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn2c1=O ZINC000067218975 525767802 /nfs/dbraw/zinc/76/78/02/525767802.db2.gz RSXZSDCEMLPXPZ-UHFFFAOYSA-N 0 0 495.326 4.467 50 0 JIAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3F)s2)CC1 ZINC000033273311 525783797 /nfs/dbraw/zinc/78/37/97/525783797.db2.gz ACOULGPVMGDKHC-UHFFFAOYSA-N 0 0 495.001 4.460 50 0 JIAARN Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc(N5CCOCC5)cc4)c(=O)c23)cc1 ZINC000012517443 525788449 /nfs/dbraw/zinc/78/84/49/525788449.db2.gz HABLCGPWIAAOAO-UHFFFAOYSA-N 0 0 474.586 4.299 50 0 JIAARN Cc1ccc(-c2nc(C3CCN(C(=O)[C@@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)CC3)no2)cc1 ZINC000033281807 525805247 /nfs/dbraw/zinc/80/52/47/525805247.db2.gz BKPWCFGGIIRPKK-JOCHJYFZSA-N 0 0 458.562 4.421 50 0 JIAARN COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)c1 ZINC000004122825 525812391 /nfs/dbraw/zinc/81/23/91/525812391.db2.gz OSOVIZKKIRPLQZ-UHFFFAOYSA-N 0 0 488.613 4.093 50 0 JIAARN Cc1ccsc1C(=O)N1CCC[C@@H](COc2cccc(CN(C)Cc3cnn(C)c3)c2)C1 ZINC000014988626 525818210 /nfs/dbraw/zinc/81/82/10/525818210.db2.gz UQQRBVFCGVNIDE-OAQYLSRUSA-N 0 0 452.624 4.353 50 0 JIAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(SCC(=O)NC[C@H]3CCCO3)o2)cc1 ZINC000002721686 525818459 /nfs/dbraw/zinc/81/84/59/525818459.db2.gz RTIMETTXXGMVEL-GOSISDBHSA-N 0 0 490.578 4.009 50 0 JIAARN Cc1ccc(-c2nc3c(c(C(N)=O)n2)n(Cc2ccccc2)c(=O)n3-c2ccc(F)cc2)c(C)c1 ZINC000064965861 525819914 /nfs/dbraw/zinc/81/99/14/525819914.db2.gz RWHSKDHPJVMZMT-UHFFFAOYSA-N 0 0 467.504 4.152 50 0 JIAARN Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NCCc2ccccc2)CCN(Cc2ccccc2)C3)cc1 ZINC000035456385 525820194 /nfs/dbraw/zinc/82/01/94/525820194.db2.gz XIIPTYKFFUEESK-UHFFFAOYSA-N 0 0 492.623 4.136 50 0 JIAARN Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2ccccc2)CCN(Cc2ccccc2)C3)cc1 ZINC000035456281 525820232 /nfs/dbraw/zinc/82/02/32/525820232.db2.gz HOTFJVDWYXGOSP-UHFFFAOYSA-N 0 0 464.569 4.416 50 0 JIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000033575886 525838879 /nfs/dbraw/zinc/83/88/79/525838879.db2.gz YCKZTCMZVWDRIT-PFONDFGASA-N 0 0 458.543 4.147 50 0 JIAARN Cc1ccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)c5cccc(F)c5)CC4)n23)cc1 ZINC000037554606 525862101 /nfs/dbraw/zinc/86/21/01/525862101.db2.gz FPEJWXZXUBAWOL-UHFFFAOYSA-N 0 0 466.520 4.354 50 0 JIAARN COc1cccc(CC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000064930174 525865777 /nfs/dbraw/zinc/86/57/77/525865777.db2.gz YKAQJTQDMLOMJQ-GOSISDBHSA-N 0 0 456.955 4.359 50 0 JIAARN Cc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccc(F)c(F)c4)c3=O)n2)cc1 ZINC000064971800 525870336 /nfs/dbraw/zinc/87/03/36/525870336.db2.gz OKTOEDABBRALFB-UHFFFAOYSA-N 0 0 450.445 4.407 50 0 JIAARN Cc1ccc(-c2noc(-c3ccccc3S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1 ZINC000033307090 525871351 /nfs/dbraw/zinc/87/13/51/525871351.db2.gz XJMZXYHWHAQPSI-UHFFFAOYSA-N 0 0 478.549 4.362 50 0 JIAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000009788113 525891768 /nfs/dbraw/zinc/89/17/68/525891768.db2.gz PAIGAYMGAWVZCT-VIFPVBQESA-N 0 0 452.262 4.174 50 0 JIAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccccc1)C(=O)N1CCNC1=O ZINC000021601976 525892408 /nfs/dbraw/zinc/89/24/08/525892408.db2.gz OFDKIVPJVVZINZ-KAKMCVKYSA-N 0 0 455.514 4.209 50 0 JIAARN C[C@@H](OC(=O)c1ccccc1OCCOc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012517333 525896051 /nfs/dbraw/zinc/89/60/51/525896051.db2.gz QPKBMUMZRKFKMY-OAQYLSRUSA-N 0 0 490.556 4.165 50 0 JIAARN COc1cccc(CCNC(=O)[C@@H]2CC23CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)c1 ZINC000012281041 525899515 /nfs/dbraw/zinc/89/95/15/525899515.db2.gz CJKHNSHOIZMSIT-NRFANRHFSA-N 0 0 460.496 4.315 50 0 JIAARN C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000002646452 525903473 /nfs/dbraw/zinc/90/34/73/525903473.db2.gz 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Cc1c2cnn(CC(=O)NCCCc3ccccc3)c(=O)c2c(C)n1Cc1cccc(Cl)c1 ZINC000020417819 525993884 /nfs/dbraw/zinc/99/38/84/525993884.db2.gz MAOLDFSWUKEPAA-UHFFFAOYSA-N 0 0 462.981 4.266 50 0 JIAARN Cc1c2cnn(CC(=O)N[C@@H](C)CCc3ccccc3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417547 525995549 /nfs/dbraw/zinc/99/55/49/525995549.db2.gz XOHDTODKULTUKK-SFHVURJKSA-N 0 0 460.553 4.140 50 0 JIAARN CSc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4ccc(C)c(Cl)c4)n3)C2)cc1 ZINC000064928746 525998709 /nfs/dbraw/zinc/99/87/09/525998709.db2.gz SERVPRXDERBLNQ-LJQANCHMSA-N 0 0 483.037 4.449 50 0 JIAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(C(=O)NCc2ccco2)CC3)c2ccccc2)cc1 ZINC000033287143 526075946 /nfs/dbraw/zinc/07/59/46/526075946.db2.gz ACNXSCISUBRZAA-UHFFFAOYSA-N 0 0 483.572 4.436 50 0 JIAARN Cc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000065007251 526084433 /nfs/dbraw/zinc/08/44/33/526084433.db2.gz VFHMMQGJUAHYLC-UHFFFAOYSA-N 0 0 454.514 4.235 50 0 JIAARN Cc1ccc2[nH]c(CSc3nnc(NC(=O)COc4ccc(F)cc4)s3)cc(=O)c2c1 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COc1ccc(N(CC(=O)NCc2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000001169840 553921885 /nfs/dbraw/zinc/92/18/85/553921885.db2.gz WAVRSTSJFQXJRZ-UHFFFAOYSA-N 0 0 488.993 4.177 50 0 JIAARN COc1ccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000001173735 553924069 /nfs/dbraw/zinc/92/40/69/553924069.db2.gz MNYUTTNVGTWSGS-UHFFFAOYSA-N 0 0 478.492 4.226 50 0 JIAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C(C)C)c1 ZINC000001181157 553928682 /nfs/dbraw/zinc/92/86/82/553928682.db2.gz HNMDRSIHKMPBJE-UHFFFAOYSA-N 0 0 466.669 4.225 50 0 JIAARN O=S(=O)(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(I)cc1 ZINC000001181164 553928706 /nfs/dbraw/zinc/92/87/06/553928706.db2.gz YBBWQMBKJBJPMB-UHFFFAOYSA-N 0 0 475.311 4.407 50 0 JIAARN CC(C)C[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)c2ccccc2C1=O ZINC000001917085 554004139 /nfs/dbraw/zinc/00/41/39/554004139.db2.gz FZOFGHWGDWBWHM-KRWDZBQOSA-N 0 0 463.317 4.186 50 0 JIAARN CCOc1cc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(=O)c1ccco1 ZINC000002076366 554024535 /nfs/dbraw/zinc/02/45/35/554024535.db2.gz DYINNYDNWNVNJU-GZTJUZNOSA-N 0 0 493.468 4.268 50 0 JIAARN COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1 ZINC000002078148 554025093 /nfs/dbraw/zinc/02/50/93/554025093.db2.gz DKOVIQGHZJNUQZ-UBFBPUDLSA-N 0 0 488.337 4.376 50 0 JIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(C)cc4)CC(=O)N23)cc1 ZINC000002092420 554035933 /nfs/dbraw/zinc/03/59/33/554035933.db2.gz HDRHSPSWXIOFCS-LBNVMWSVSA-N 0 0 465.553 4.370 50 0 biogenic JIAARN O=C1CN(C[C@H](O)c2ccccc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](CCc3ccccc3)N12 ZINC000002094345 554038201 /nfs/dbraw/zinc/03/82/01/554038201.db2.gz VWBDAIDVIJWGOX-QKDODKLFSA-N 0 0 479.580 4.171 50 0 biogenic JIAARN CC[C@@H](C)N1CC(=O)N2[C@H](c3ccc(Br)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002100351 554042331 /nfs/dbraw/zinc/04/23/31/554042331.db2.gz CDXWRRZCXWBXLB-ODMCQALKSA-N 0 0 466.379 4.414 50 0 biogenic JIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(F)cc4)CC(=O)N23)cc1OC ZINC000002103559 554044159 /nfs/dbraw/zinc/04/41/59/554044159.db2.gz HSIIMOPXCLEGKM-NEKDWFFYSA-N 0 0 499.542 4.209 50 0 biogenic JIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4cccs4)CC(=O)N32)c1 ZINC000002104392 554044850 /nfs/dbraw/zinc/04/48/50/554044850.db2.gz SYMHDLVKROUFII-DHLKQENFSA-N 0 0 457.555 4.123 50 0 biogenic JIAARN CC[C@H](C)N1CC(=O)N2[C@H](c3ccc(OC(C)C)c(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002109241 554049024 /nfs/dbraw/zinc/04/90/24/554049024.db2.gz WOMCBWAMDPTTPR-NIIFMQKASA-N 0 0 475.589 4.447 50 0 biogenic JIAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccc(OC)cc3)CC(=O)N21 ZINC000002109848 554049370 /nfs/dbraw/zinc/04/93/70/554049370.db2.gz BSCPJJFMYJQNSY-SVEHJYQDSA-N 0 0 495.579 4.460 50 0 biogenic JIAARN COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC(C)C)CC(=O)N32)ccc1OC(C)C ZINC000002111019 554049760 /nfs/dbraw/zinc/04/97/60/554049760.db2.gz WFFLSZLDOYIXSH-CUNXSJBXSA-N 0 0 475.589 4.305 50 0 biogenic JIAARN O=C1CN(Cc2ccc3c(c2)OCO3)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N12 ZINC000002112232 554050920 /nfs/dbraw/zinc/05/09/20/554050920.db2.gz MEAPOSFJHQHLPZ-CUNXSJBXSA-N 0 0 499.954 4.435 50 0 biogenic JIAARN CCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(OCC)c(OC)c2)C1=O ZINC000002120733 554055693 /nfs/dbraw/zinc/05/56/93/554055693.db2.gz JWHNNBOXJCXQLJ-LVXARBLLSA-N 0 0 461.562 4.060 50 0 biogenic JIAARN O=C(CCC(=O)OCC(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1 ZINC000002147542 554066997 /nfs/dbraw/zinc/06/69/97/554066997.db2.gz XUMGJDGHFLAITK-UHFFFAOYSA-N 0 0 469.129 4.356 50 0 JIAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccccc4F)CC(=O)N23)c1 ZINC000002152641 554070796 /nfs/dbraw/zinc/07/07/96/554070796.db2.gz ZBBGGEQFPBJEPM-LBNVMWSVSA-N 0 0 483.543 4.243 50 0 biogenic JIAARN COc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000002164384 554075292 /nfs/dbraw/zinc/07/52/92/554075292.db2.gz WYLSGWZVDHQRNX-UHFFFAOYSA-N 0 0 462.612 4.004 50 0 JIAARN Cn1nnnc1SCC(=O)Nc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)sc2c1 ZINC000002189390 554084910 /nfs/dbraw/zinc/08/49/10/554084910.db2.gz RMGDAOAHMJXOCK-UHFFFAOYSA-N 0 0 491.023 4.179 50 0 JIAARN COC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(OC(F)(F)Cl)cc1)C(F)(F)F ZINC000002192077 554087184 /nfs/dbraw/zinc/08/71/84/554087184.db2.gz KCMPZDRPWUKMKK-MRXNPFEDSA-N 0 0 452.763 4.128 50 0 JIAARN CSc1nc2sc3c(c2c2nnc(SCC(=O)NCCc4ccccc4)n21)CCCC3 ZINC000002212843 554096348 /nfs/dbraw/zinc/09/63/48/554096348.db2.gz LEDVCEVSPGUYCA-UHFFFAOYSA-N 0 0 469.661 4.391 50 0 JIAARN Cn1nc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccccc3Cl)c2)c2ccccc2c1=O ZINC000002215424 554097553 /nfs/dbraw/zinc/09/75/53/554097553.db2.gz NTMZQXOCJCWKKU-UHFFFAOYSA-N 0 0 474.948 4.343 50 0 JIAARN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccccc5O)c(=O)n42)c2ccccc2CC3)cc1 ZINC000002223460 554102186 /nfs/dbraw/zinc/10/21/86/554102186.db2.gz ICPIYDKSLVZZKQ-SJJVXOANSA-N 0 0 466.562 4.033 50 0 JIAARN CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 ZINC000002233363 554106521 /nfs/dbraw/zinc/10/65/21/554106521.db2.gz ZEPQSQVXISAAFS-HSZRJFAPSA-N 0 0 485.587 4.394 50 0 JIAARN COc1ccc(-c2c(NC(=O)c3cc(OC)c(OC)c(OC)c3)n(C)c3ccccc3c2=O)cc1 ZINC000002242261 554110330 /nfs/dbraw/zinc/11/03/30/554110330.db2.gz PHDLHZRCNKTYKA-UHFFFAOYSA-N 0 0 474.513 4.492 50 0 JIAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccc(OC)c(OC)c3)N2C1=O ZINC000002250044 554114429 /nfs/dbraw/zinc/11/44/29/554114429.db2.gz UDEDYAUDDUXKKX-IRLDBZIGSA-N 0 0 466.559 4.486 50 0 JIAARN COc1ccccc1Cn1c(N)c(C(=O)NCCc2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000002288401 554134065 /nfs/dbraw/zinc/13/40/65/554134065.db2.gz CGRKIESDUCBXMH-UHFFFAOYSA-N 0 0 469.520 4.335 50 0 JIAARN CNS(=O)(=O)c1cc(-c2nnc(Nc3ccc(C(=O)OC)cc3)c3ccccc32)ccc1C ZINC000002290693 554135031 /nfs/dbraw/zinc/13/50/31/554135031.db2.gz WQSKDEGPDCTPOY-UHFFFAOYSA-N 0 0 462.531 4.044 50 0 JIAARN O=C1Nc2c(cccc2Cl)[C@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000002340802 554155922 /nfs/dbraw/zinc/15/59/22/554155922.db2.gz MJBFFHCYSNXBKC-DYXJYMTDSA-N 0 0 476.747 4.078 50 0 JIAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cc(OC)ccc2OC)s1 ZINC000002345620 554158602 /nfs/dbraw/zinc/15/86/02/554158602.db2.gz KZYVRLDEHOEYFJ-HXUWFJFHSA-N 0 0 463.515 4.282 50 0 JIAARN Cc1ccc(-c2nn3c(-c4ccncc4)nnc3c3ccccc32)cc1S(=O)(=O)N1CCCC1 ZINC000002351197 554161587 /nfs/dbraw/zinc/16/15/87/554161587.db2.gz ZZSUNAISRGJHHW-UHFFFAOYSA-N 0 0 470.558 4.099 50 0 JIAARN CCOc1cccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2N)c1 ZINC000002359301 554165105 /nfs/dbraw/zinc/16/51/05/554165105.db2.gz XIVYNVNRTWTRGX-UHFFFAOYSA-N 0 0 471.892 4.461 50 0 JIAARN CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000002370744 554170073 /nfs/dbraw/zinc/17/00/73/554170073.db2.gz JBSNLIIJAUNMHD-UHFFFAOYSA-N 0 0 477.311 4.385 50 0 JIAARN COc1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(-c3cccc(Cl)c3)c2=O)CCCC4)cc1 ZINC000002372582 554171492 /nfs/dbraw/zinc/17/14/92/554171492.db2.gz RZNDTJONTMCKFK-UHFFFAOYSA-N 0 0 495.988 4.393 50 0 JIAARN CCOc1ccc(-n2c(SCC(=O)c3ccc4c(c3)OCO4)nnc2-c2cccnc2)cc1 ZINC000002378005 554174702 /nfs/dbraw/zinc/17/47/02/554174702.db2.gz QLTPXDQWEVYGRS-UHFFFAOYSA-N 0 0 460.515 4.432 50 0 JIAARN O=c1/c(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)sc2nc(-c3ccc(F)cc3)nn12 ZINC000002388104 554178513 /nfs/dbraw/zinc/17/85/13/554178513.db2.gz DVXAHPDLBKWBRH-MRCUWXFGSA-N 0 0 488.931 4.075 50 0 JIAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1N ZINC000002392575 554180125 /nfs/dbraw/zinc/18/01/25/554180125.db2.gz ZDDWUJSNCKWCDK-UHFFFAOYSA-N 0 0 457.865 4.071 50 0 JIAARN Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1Cc1ccc2c(c1)OCO2 ZINC000002396286 554183087 /nfs/dbraw/zinc/18/30/87/554183087.db2.gz ZEPCXFIRUFCHHC-UHFFFAOYSA-N 0 0 452.470 4.301 50 0 JIAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(OC)c(OC)c2)s1 ZINC000002400854 554185869 /nfs/dbraw/zinc/18/58/69/554185869.db2.gz AQZISYDHGSRDMC-HXUWFJFHSA-N 0 0 463.515 4.282 50 0 JIAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C(=O)OC)cc2)s1 ZINC000002403758 554187226 /nfs/dbraw/zinc/18/72/26/554187226.db2.gz XKXPWKZLZCNERZ-LJQANCHMSA-N 0 0 461.499 4.052 50 0 JIAARN COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3nc(N4C(=O)c5ccccc5C4=O)nc3N2)cc1 ZINC000002408401 554190453 /nfs/dbraw/zinc/19/04/53/554190453.db2.gz TZZPJLLSHJVKSZ-YADHBBJMSA-N 0 0 469.476 4.373 50 0 JIAARN Cc1cc(Br)c(NC(=O)CSc2nnc(-c3cccnc3)n2C)c(Br)c1 ZINC000002422214 554199042 /nfs/dbraw/zinc/19/90/42/554199042.db2.gz BVIUDWKDCBQPOH-UHFFFAOYSA-N 0 0 497.216 4.441 50 0 JIAARN COCCCNC(=O)c1c(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)sc2c1CCCC2 ZINC000002434186 554206838 /nfs/dbraw/zinc/20/68/38/554206838.db2.gz ONBZJJKZKOORNY-UHFFFAOYSA-N 0 0 468.575 4.369 50 0 JIAARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000002446170 554213065 /nfs/dbraw/zinc/21/30/65/554213065.db2.gz OZSGSWFXERWLLT-RJESQKRESA-N 0 0 471.944 4.233 50 0 JIAARN Cc1sc2nc3c(C(=O)N4CCN(c5cc(Cl)ccc5C)CC4)cccn3c(=O)c2c1C ZINC000002461905 554223543 /nfs/dbraw/zinc/22/35/43/554223543.db2.gz COUMUDMLLGUXQJ-UHFFFAOYSA-N 0 0 466.994 4.450 50 0 JIAARN COc1ccc(O[C@@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000002485369 554226449 /nfs/dbraw/zinc/22/64/49/554226449.db2.gz LDWPLYUHCYRMSJ-FTJBHMTQSA-N 0 0 477.513 4.015 50 0 JIAARN O=C(c1cccnc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000002489457 554227297 /nfs/dbraw/zinc/22/72/97/554227297.db2.gz JKQASPXYMJCLRS-UHFFFAOYSA-N 0 0 491.344 4.048 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)[C@H](c1cccs1)N(C)C2=O ZINC000002496552 554228291 /nfs/dbraw/zinc/22/82/91/554228291.db2.gz XHUGGFZSAAKPBA-PKTZIBPZSA-N 0 0 480.542 4.086 50 0 JIAARN Cc1sc(NC(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)c(C(N)=O)c1C ZINC000002503144 554230050 /nfs/dbraw/zinc/23/00/50/554230050.db2.gz ZJNZQAXUYBMGQL-UHFFFAOYSA-N 0 0 459.453 4.445 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000002616483 554241408 /nfs/dbraw/zinc/24/14/08/554241408.db2.gz ZQEVZLLAVLEUIH-HJPURHCSSA-N 0 0 478.376 4.241 50 0 JIAARN O=C(OCCOc1ccc(Br)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000002634366 554255320 /nfs/dbraw/zinc/25/53/20/554255320.db2.gz QGUMTMXHTOSYQP-UHFFFAOYSA-N 0 0 490.375 4.163 50 0 JIAARN COc1ccc(CNC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)cc1OC ZINC000002642462 554261249 /nfs/dbraw/zinc/26/12/49/554261249.db2.gz FUZKFRIRMGDLSJ-UHFFFAOYSA-N 0 0 499.976 4.117 50 0 JIAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1)N1CCc2ccccc2C1 ZINC000002642847 554261539 /nfs/dbraw/zinc/26/15/39/554261539.db2.gz IHOPLQQBBUPKRD-FQEVSTJZSA-N 0 0 473.602 4.282 50 0 JIAARN Cc1noc(C)c1COc1ccc(C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 ZINC000002643320 554261847 /nfs/dbraw/zinc/26/18/47/554261847.db2.gz IUGRPSCSCAVRLS-UHFFFAOYSA-N 0 0 465.531 4.404 50 0 JIAARN O=C(NCc1cccs1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000002645526 554263285 /nfs/dbraw/zinc/26/32/85/554263285.db2.gz NBNQABHWTAYGIQ-XMMPIXPASA-N 0 0 462.596 4.333 50 0 JIAARN NC(=O)c1c2c(sc1NC(=O)COC(=O)CCCSc1ccc(Cl)cc1)CCC2 ZINC000002652622 554268653 /nfs/dbraw/zinc/26/86/53/554268653.db2.gz APLFHVHKXWZUCS-UHFFFAOYSA-N 0 0 452.985 4.043 50 0 JIAARN CCOc1ccc2nc(NC(=O)[C@@H](NC(=O)c3cc(OC)cc(OC)c3)C(C)C)sc2c1 ZINC000002653849 554269677 /nfs/dbraw/zinc/26/96/77/554269677.db2.gz MUEVIVNNONVHPL-FQEVSTJZSA-N 0 0 457.552 4.105 50 0 JIAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 ZINC000002665267 554278240 /nfs/dbraw/zinc/27/82/40/554278240.db2.gz FRYQKWXBMHRLSU-UHFFFAOYSA-N 0 0 457.533 4.136 50 0 JIAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c(OC)c1 ZINC000002688532 554284490 /nfs/dbraw/zinc/28/44/90/554284490.db2.gz DHCOMURYDUOMKD-UHFFFAOYSA-N 0 0 478.451 4.167 50 0 JIAARN CCOc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(OC)c3)c3ccc(F)cc3c2=O)cc1 ZINC000002688887 554284909 /nfs/dbraw/zinc/28/49/09/554284909.db2.gz QPYWDPRCMVUUDQ-UHFFFAOYSA-N 0 0 474.488 4.418 50 0 JIAARN COc1ccccc1CNc1nc2c(S(=O)(=O)c3ccc(C)cc3)nnn2c2ccccc21 ZINC000002690468 554285688 /nfs/dbraw/zinc/28/56/88/554285688.db2.gz OAWRIMBWVVAPLA-UHFFFAOYSA-N 0 0 459.531 4.039 50 0 JIAARN CCOc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc(C)ccc32)cc1 ZINC000002690364 554285755 /nfs/dbraw/zinc/28/57/55/554285755.db2.gz CFVJWEWUQDBPCV-UHFFFAOYSA-N 0 0 476.554 4.180 50 0 JIAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(F)cc1)cc(C(=O)c1ccc(F)cc1)c2=O ZINC000002690791 554286241 /nfs/dbraw/zinc/28/62/41/554286241.db2.gz HVJGGFLFXZVMJN-UHFFFAOYSA-N 0 0 478.451 4.167 50 0 JIAARN COc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3cc4c(cc3c2=O)OCCO4)cc1OC ZINC000002691872 554287914 /nfs/dbraw/zinc/28/79/14/554287914.db2.gz IXXVLWTVOXDWID-UHFFFAOYSA-N 0 0 471.509 4.378 50 0 aggregator JIAARN COc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(F)cc4)nnn3c3ccccc32)cc1OC ZINC000002692339 554288938 /nfs/dbraw/zinc/28/89/38/554288938.db2.gz ZRJNEDNPNHJCPB-UHFFFAOYSA-N 0 0 479.493 4.010 50 0 JIAARN COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccc(C)cc3c2=O)cc1 ZINC000002693218 554289746 /nfs/dbraw/zinc/28/97/46/554289746.db2.gz BJHTXDCYPKGQOK-UHFFFAOYSA-N 0 0 476.554 4.098 50 0 JIAARN CCOC(=O)[C@@H](C)Oc1cccc2c1ccn(CC(=O)Nc1ccc(Cl)c(Cl)c1)c2=O ZINC000002712304 554297340 /nfs/dbraw/zinc/29/73/40/554297340.db2.gz JUCCONCBJWVVDV-CYBMUJFWSA-N 0 0 463.317 4.277 50 0 JIAARN CCOC(=O)[C@H](CC)Sc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 ZINC000002720053 554305416 /nfs/dbraw/zinc/30/54/16/554305416.db2.gz OHELCMCCTJPOEZ-AWEZNQCLSA-N 0 0 455.399 4.077 50 0 JIAARN O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)o1)Nc1nc(-c2ccccc2)cs1 ZINC000002720472 554305530 /nfs/dbraw/zinc/30/55/30/554305530.db2.gz RZFIUULXZZMUIC-UHFFFAOYSA-N 0 0 452.517 4.362 50 0 JIAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(OC)c3)o2)cc1 ZINC000002723486 554309157 /nfs/dbraw/zinc/30/91/57/554309157.db2.gz KEZHDTGAGWLALG-UHFFFAOYSA-N 0 0 492.557 4.208 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](CC)Sc1nnnn1-c1ccccc1)CCCC2 ZINC000002751120 554326469 /nfs/dbraw/zinc/32/64/69/554326469.db2.gz UZWZQACRGUFBRI-INIZCTEOSA-N 0 0 471.608 4.289 50 0 JIAARN C[C@@H]1C[C@@H](C(F)F)n2nc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)nc2N1 ZINC000002769288 554335326 /nfs/dbraw/zinc/33/53/26/554335326.db2.gz JYZZLMCAYDTVLQ-OTYXRUKQSA-N 0 0 456.284 4.092 50 0 JIAARN Cc1c(CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)cnn1C ZINC000002776072 554339441 /nfs/dbraw/zinc/33/94/41/554339441.db2.gz DPZVKMNSMQQAJX-NVXWUHKLSA-N 0 0 452.868 4.169 50 0 JIAARN Cc1nc2sc3c(c2c(=O)n1NC(=O)c1c(Cl)c(C(F)(F)F)nn1C)CCCCCC3 ZINC000002779219 554341188 /nfs/dbraw/zinc/34/11/88/554341188.db2.gz AYTCPBDWZCTCPY-UHFFFAOYSA-N 0 0 473.908 4.215 50 0 JIAARN Cc1c(Br)c(C(F)F)nn1CC(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1 ZINC000002781782 554342174 /nfs/dbraw/zinc/34/21/74/554342174.db2.gz KMHHBMQLIOKPRI-UHFFFAOYSA-N 0 0 484.267 4.191 50 0 JIAARN O=C(Nc1ncn(Cc2c(Cl)cccc2Cl)n1)c1ccn(COc2ccc(F)cc2F)n1 ZINC000002786669 554344835 /nfs/dbraw/zinc/34/48/35/554344835.db2.gz 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COc1ccc(N(CC(=O)Nc2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000002812948 554361192 /nfs/dbraw/zinc/36/11/92/554361192.db2.gz LBPQUIPKWLLIGC-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN COc1ccc(N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000002817088 554363254 /nfs/dbraw/zinc/36/32/54/554363254.db2.gz TWSHBRYCNVKSDE-UHFFFAOYSA-N 0 0 472.607 4.214 50 0 JIAARN O=c1/c(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2nc(=O)c(-c3ccccc3)nn12 ZINC000002828799 554367439 /nfs/dbraw/zinc/36/74/39/554367439.db2.gz LWKLOQYWEPFPMY-WQRHYEAKSA-N 0 0 468.321 4.293 50 0 JIAARN CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000002841503 554373335 /nfs/dbraw/zinc/37/33/35/554373335.db2.gz YLZQFYNMXIXQQC-AWEZNQCLSA-N 0 0 473.986 4.182 50 0 JIAARN COCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002851622 554379620 /nfs/dbraw/zinc/37/96/20/554379620.db2.gz ZMHOOQNITAEUEF-HXUWFJFHSA-N 0 0 473.909 4.054 50 0 JIAARN COc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000002854899 554382316 /nfs/dbraw/zinc/38/23/16/554382316.db2.gz IYZNANPEUICKHB-UHFFFAOYSA-N 0 0 476.501 4.124 50 0 JIAARN COC(=O)c1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000002856747 554383481 /nfs/dbraw/zinc/38/34/81/554383481.db2.gz DEMNEANLSCJMOE-UHFFFAOYSA-N 0 0 492.475 4.326 50 0 JIAARN CC(C)c1ccc(OCC(=O)Nc2nonc2NC(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000002857655 554384321 /nfs/dbraw/zinc/38/43/21/554384321.db2.gz MFTCBUKABCMIJV-UHFFFAOYSA-N 0 0 452.511 4.351 50 0 JIAARN C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1C ZINC000002859719 554386673 /nfs/dbraw/zinc/38/66/73/554386673.db2.gz RMBSOODYKGXZRO-LLVKDONJSA-N 0 0 482.368 4.483 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)Cc2ccccc2)cc1 ZINC000002860682 554387070 /nfs/dbraw/zinc/38/70/70/554387070.db2.gz HYOPKBLHRZBZFM-UHFFFAOYSA-N 0 0 452.576 4.450 50 0 JIAARN CC[C@]1(C)Cc2c(sc3nnn(CC(=O)N(c4ccccc4)c4ccccc4)c(=O)c32)CO1 ZINC000002861994 554388846 /nfs/dbraw/zinc/38/88/46/554388846.db2.gz DQOOBMQKGGNDQC-RUZDIDTESA-N 0 0 460.559 4.459 50 0 JIAARN COCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000002865322 554390928 /nfs/dbraw/zinc/39/09/28/554390928.db2.gz KQYOAOOJKGBTEA-UHFFFAOYSA-N 0 0 470.616 4.198 50 0 JIAARN COc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)C(C)C)cc1 ZINC000002866981 554392059 /nfs/dbraw/zinc/39/20/59/554392059.db2.gz UIHIIMPVNLMTML-JOCHJYFZSA-N 0 0 481.622 4.298 50 0 JIAARN O=C(c1cc(-c2cccnc2)nc2ccc(Cl)cc21)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000002868187 554393565 /nfs/dbraw/zinc/39/35/65/554393565.db2.gz NNRCJPRVMNRGPB-UHFFFAOYSA-N 0 0 499.017 4.158 50 0 JIAARN CCOc1ccccc1NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000002869065 554394492 /nfs/dbraw/zinc/39/44/92/554394492.db2.gz UBEMBUUNPKMGFK-UHFFFAOYSA-N 0 0 454.548 4.069 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2ccc(Cl)cc2)cc1OC ZINC000002869538 554395119 /nfs/dbraw/zinc/39/51/19/554395119.db2.gz XFHBDILTGNDHLD-KRWDZBQOSA-N 0 0 488.993 4.430 50 0 JIAARN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCCOc1ccccc1 ZINC000002870034 554395123 /nfs/dbraw/zinc/39/51/23/554395123.db2.gz TVVJJSZVILSYEW-UHFFFAOYSA-N 0 0 479.385 4.384 50 0 JIAARN NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000002880044 554401692 /nfs/dbraw/zinc/40/16/92/554401692.db2.gz HANYZPXUAIZHCM-UHFFFAOYSA-N 0 0 470.359 4.028 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)c2ccc(F)cc2)cc1 ZINC000002880700 554402312 /nfs/dbraw/zinc/40/23/12/554402312.db2.gz OQNQJRGNLZNASE-UHFFFAOYSA-N 0 0 468.550 4.005 50 0 JIAARN Cc1cc(I)ccc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000002881668 554403944 /nfs/dbraw/zinc/40/39/44/554403944.db2.gz MFYSMSDPXGUVSV-GFCCVEGCSA-N 0 0 492.766 4.046 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)c1sc2ncn(Cc3ccccc3F)c(=O)c2c1C ZINC000002921693 554410875 /nfs/dbraw/zinc/41/08/75/554410875.db2.gz BCPKJLCFNWJOND-UHFFFAOYSA-N 0 0 465.506 4.383 50 0 JIAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2ccccc2Nc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000003237571 554435415 /nfs/dbraw/zinc/43/54/15/554435415.db2.gz UJFMJGAUYLVQKX-IBGZPJMESA-N 0 0 470.529 4.412 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccc(OC)c(OC)c3)cc2)cc1OC ZINC000003582359 554466257 /nfs/dbraw/zinc/46/62/57/554466257.db2.gz CCECRGZYSMUAAQ-UHFFFAOYSA-N 0 0 460.490 4.221 50 0 JIAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCc4cccc(Cl)c4)cc3[nH]c2=S)c(OC)c1 ZINC000003630156 554467429 /nfs/dbraw/zinc/46/74/29/554467429.db2.gz UXLBIAUROGVYGS-UHFFFAOYSA-N 0 0 481.961 4.275 50 0 JIAARN COc1ccc(OC)c(-n2c(=O)c3ccc(C(=O)Nc4ccc5c(c4)CCC5)cc3[nH]c2=S)c1 ZINC000003631319 554467962 /nfs/dbraw/zinc/46/79/62/554467962.db2.gz PZGUMBVWTNKLFA-UHFFFAOYSA-N 0 0 473.554 4.433 50 0 JIAARN COC(=O)c1ccccc1NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccccc1F ZINC000004799066 554481158 /nfs/dbraw/zinc/48/11/58/554481158.db2.gz YMRPJNHDTLDWTO-ZEQRLZLVSA-N 0 0 492.503 4.179 50 0 JIAARN COC(=O)c1ccccc1NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccccc1F ZINC000004799058 554481211 /nfs/dbraw/zinc/48/12/11/554481211.db2.gz YMRPJNHDTLDWTO-RPWUZVMVSA-N 0 0 492.503 4.179 50 0 JIAARN CCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005706846 554492884 /nfs/dbraw/zinc/49/28/84/554492884.db2.gz YUEGQHAZMUWZEV-XZOQPEGZSA-N 0 0 452.551 4.206 50 0 JIAARN CCOC(=O)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000005947942 554497879 /nfs/dbraw/zinc/49/78/79/554497879.db2.gz FTHHRACYHPIRDJ-XHHBKWMTSA-N 0 0 464.521 4.223 50 0 biogenic JIAARN CCCCNS(=O)(=O)c1ccc2[nH]c(SCC(=O)Nc3ccc(F)c(Cl)c3)nc2c1 ZINC000006101361 554505218 /nfs/dbraw/zinc/50/52/18/554505218.db2.gz AGTMPPZEGOTVEA-UHFFFAOYSA-N 0 0 470.979 4.165 50 0 JIAARN COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000006167210 554514061 /nfs/dbraw/zinc/51/40/61/554514061.db2.gz ZAUJSRUUQOAMDF-OAHLLOKOSA-N 0 0 493.585 4.393 50 0 JIAARN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000006287766 554527406 /nfs/dbraw/zinc/52/74/06/554527406.db2.gz FSIJMGJOMHNAOJ-KQWNVCNZSA-N 0 0 458.587 4.258 50 0 JIAARN O=C(Oc1ccc(I)cc1)c1cccc(I)c1 ZINC000008396677 554571384 /nfs/dbraw/zinc/57/13/84/554571384.db2.gz KIQONAOFHKDHFU-UHFFFAOYSA-N 0 0 450.013 4.115 50 0 JIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1ccc(I)cn1 ZINC000006427727 554535920 /nfs/dbraw/zinc/53/59/20/554535920.db2.gz UBWOJNUNWISGCD-MRVPVSSYSA-N 0 0 496.157 4.274 50 0 JIAARN O=C1OC(c2ccccc2Br)=N/C1=C\c1cc2c(cc1Br)OCO2 ZINC000008387316 554570257 /nfs/dbraw/zinc/57/02/57/554570257.db2.gz KHXMJAOWUYOJGS-ACAGNQJTSA-N 0 0 451.070 4.285 50 0 JIAARN COc1cccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000008396048 554570773 /nfs/dbraw/zinc/57/07/73/554570773.db2.gz KDIAJBGGYGUCLG-RCCKNPSSSA-N 0 0 457.486 4.118 50 0 JIAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)C1=O ZINC000008400711 554575898 /nfs/dbraw/zinc/57/58/98/554575898.db2.gz QOINJWJZOOGIFH-BTAWCLGRSA-N 0 0 472.357 4.233 50 0 JIAARN COc1ccc(CCNC(=O)CSc2nnc3c(n2)-c2cccc4cccc-3c24)cc1OC ZINC000008416523 554578997 /nfs/dbraw/zinc/57/89/97/554578997.db2.gz FMGDPQQETXRGPC-UHFFFAOYSA-N 0 0 458.543 4.140 50 0 JIAARN Cc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@H]1c1cccc(Br)c1 ZINC000008437150 554588238 /nfs/dbraw/zinc/58/82/38/554588238.db2.gz QLKXXJCDIHDWDS-NRFANRHFSA-N 0 0 482.382 4.202 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C ZINC000008438182 554588973 /nfs/dbraw/zinc/58/89/73/554588973.db2.gz UHGZAYNRRYLJAT-CQSZACIVSA-N 0 0 488.411 4.108 50 0 JIAARN Cc1cccc(C=c2sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1 ZINC000008443924 554593308 /nfs/dbraw/zinc/59/33/08/554593308.db2.gz PHELKAPRLUZQLO-VWLOTQADSA-N 0 0 465.578 4.182 50 0 JIAARN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc(Br)cc3)C2=O)c1 ZINC000008451810 554597828 /nfs/dbraw/zinc/59/78/28/554597828.db2.gz SUGSKUAPZPLTQY-DEDYPNTBSA-N 0 0 479.334 4.080 50 0 JIAARN Cc1cc2c(cc1C)-n1c(-c3ccccc3)c3c(c1[C@@H](c1ccco1)N2)n(C)c(=O)n(C)c3=O ZINC000008587538 554601645 /nfs/dbraw/zinc/60/16/45/554601645.db2.gz BRSQCQHAQUNBOC-JOCHJYFZSA-N 0 0 452.514 4.420 50 0 JIAARN NC(=O)[C@H]1CN(C(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)c2ccccc2O1 ZINC000008746455 554649536 /nfs/dbraw/zinc/64/95/36/554649536.db2.gz KUZLAYXTVLGOFU-JOCHJYFZSA-N 0 0 492.988 4.110 50 0 JIAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)n2N)cc1 ZINC000008750453 554652787 /nfs/dbraw/zinc/65/27/87/554652787.db2.gz LDAZJLSKYNSTNZ-SFHVURJKSA-N 0 0 486.601 4.189 50 0 JIAARN O=C(Cc1sc(N2CCCCC2)nc1O)Nc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000008755595 554657473 /nfs/dbraw/zinc/65/74/73/554657473.db2.gz IWSXVSOFRTWMPF-PKTZIBPZSA-N 0 0 490.629 4.307 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000008771719 554671556 /nfs/dbraw/zinc/67/15/56/554671556.db2.gz PHKGVNYCSWRTSJ-UHFFFAOYSA-N 0 0 486.977 4.113 50 0 JIAARN CCOc1cc(CN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C2CC2)ccc1OC(F)F ZINC000008772405 554672284 /nfs/dbraw/zinc/67/22/84/554672284.db2.gz YADCOQIQRUQQPA-UHFFFAOYSA-N 0 0 494.560 4.276 50 0 JIAARN C[C@@]12c3[nH]c4ccccc4c3[C@H](c3ccc(Cl)cc3)CN1C(=O)CN(C[C@@H]1CCCO1)C2=O ZINC000008789060 554680919 /nfs/dbraw/zinc/68/09/19/554680919.db2.gz XYXJTNSYGYMHIB-GCOVDLRRSA-N 0 0 463.965 4.032 50 0 biogenic JIAARN O=C(CSc1nnc(NC(=O)c2ccc(Br)o2)s1)NCc1ccccc1Cl ZINC000008822213 554710760 /nfs/dbraw/zinc/71/07/60/554710760.db2.gz GVINRHHDZKGSSB-UHFFFAOYSA-N 0 0 487.788 4.208 50 0 JIAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1C ZINC000008826378 554716078 /nfs/dbraw/zinc/71/60/78/554716078.db2.gz BFQFXIFQZILBQE-QFIPXVFZSA-N 0 0 471.586 4.046 50 0 JIAARN O=C1N(c2cccc(C(F)(F)F)c2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 ZINC000008828021 554718135 /nfs/dbraw/zinc/71/81/35/554718135.db2.gz UHSDMNKGMUETIA-HOTGVXAUSA-N 0 0 464.387 4.336 50 0 JIAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1Cl ZINC000008831530 554722699 /nfs/dbraw/zinc/72/26/99/554722699.db2.gz TUYIKZZZKAOWFF-UHFFFAOYSA-N 0 0 472.983 4.340 50 0 JIAARN O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)c1cccc(C(F)(F)F)c1 ZINC000008834046 554731706 /nfs/dbraw/zinc/73/17/06/554731706.db2.gz RIYYLKZWZRUOKU-UHFFFAOYSA-N 0 0 455.483 4.352 50 0 JIAARN O=S(=O)(c1ccc(I)cc1)N1CCS[C@@H]1c1ccc(Cl)cc1 ZINC000008834496 554732443 /nfs/dbraw/zinc/73/24/43/554732443.db2.gz DLAZYQNUPKKFDD-OAHLLOKOSA-N 0 0 465.765 4.381 50 0 JIAARN COc1ccc(CN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 ZINC000008836904 554737320 /nfs/dbraw/zinc/73/73/20/554737320.db2.gz ZDNALWXSLMBFPB-QHCPKHFHSA-N 0 0 475.570 4.235 50 0 JIAARN COc1cc(Br)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc1OC ZINC000008843617 554740714 /nfs/dbraw/zinc/74/07/14/554740714.db2.gz XKRAWZOATVXUNG-HXUWFJFHSA-N 0 0 474.355 4.350 50 0 JIAARN Cc1cc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)n[nH]2)cc1C ZINC000008845275 554742112 /nfs/dbraw/zinc/74/21/12/554742112.db2.gz VKSXXTGXHXTCEP-KRWDZBQOSA-N 0 0 468.579 4.215 50 0 JIAARN CC[C@H](C)n1c(SCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)nc2ccccc2c1=O ZINC000008849767 554747152 /nfs/dbraw/zinc/74/71/52/554747152.db2.gz IRXBFYBWQQVGNJ-SFHVURJKSA-N 0 0 466.607 4.140 50 0 JIAARN COc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1OC ZINC000008852056 554748703 /nfs/dbraw/zinc/74/87/03/554748703.db2.gz LPPVNMMUAXYONV-UHFFFAOYSA-N 0 0 461.540 4.211 50 0 JIAARN COc1ccc(NC(C)=O)cc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(C)cc2)n1 ZINC000008853094 554749312 /nfs/dbraw/zinc/74/93/12/554749312.db2.gz WNXOCBBBAZMHRQ-UHFFFAOYSA-N 0 0 484.603 4.331 50 0 JIAARN COc1ccc(-c2cc(NC(=O)CCn3nc(-c4cccs4)oc3=O)ccc2OC)cc1 ZINC000008855534 554751175 /nfs/dbraw/zinc/75/11/75/554751175.db2.gz CSVCMRCITFDSRF-UHFFFAOYSA-N 0 0 451.504 4.278 50 0 JIAARN Cc1ccc2nc(CSc3nnc(-c4cccc(S(=O)(=O)N5CCCCC5)c4)o3)cn2c1 ZINC000008861597 554758887 /nfs/dbraw/zinc/75/88/87/554758887.db2.gz RIKGCLNVMHYEHZ-UHFFFAOYSA-N 0 0 469.592 4.160 50 0 JIAARN CN(c1ccc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)cc1)S(C)(=O)=O ZINC000008861872 554759356 /nfs/dbraw/zinc/75/93/56/554759356.db2.gz DPFDVPABFWQKRV-UHFFFAOYSA-N 0 0 481.603 4.132 50 0 JIAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1nc(S(=O)(=O)CC)ncc1Cl ZINC000008867354 554761131 /nfs/dbraw/zinc/76/11/31/554761131.db2.gz AWHYUAAGVSVIRL-UHFFFAOYSA-N 0 0 493.994 4.390 50 0 JIAARN CCOc1ccc(CN(C(=O)Cc2coc3ccc(CC)cc23)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008869295 554763105 /nfs/dbraw/zinc/76/31/05/554763105.db2.gz NOFASMJZRYAYTJ-NRFANRHFSA-N 0 0 455.576 4.152 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(N(C)S(=O)(=O)c3ccc(C)cc3)c(C)cc2C)cc1 ZINC000008870952 554765900 /nfs/dbraw/zinc/76/59/00/554765900.db2.gz BTTUPTTUROFTAW-UHFFFAOYSA-N 0 0 474.604 4.246 50 0 JIAARN CCn1c(SCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)nnc1-c1cccs1 ZINC000008878939 554774484 /nfs/dbraw/zinc/77/44/84/554774484.db2.gz RNOBGOIPCOALRN-UHFFFAOYSA-N 0 0 476.649 4.176 50 0 JIAARN CN(Cc1nc2ccccc2s1)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000008879363 554774943 /nfs/dbraw/zinc/77/49/43/554774943.db2.gz FNLUGPSGBJCVAY-UHFFFAOYSA-N 0 0 457.602 4.109 50 0 JIAARN Cc1cc(C)nc(SCC(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n1 ZINC000008883657 554778423 /nfs/dbraw/zinc/77/84/23/554778423.db2.gz KGWFYDYIWMRDEE-IBGZPJMESA-N 0 0 484.965 4.353 50 0 JIAARN O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000008893123 554781635 /nfs/dbraw/zinc/78/16/35/554781635.db2.gz BFDIXBKEBGQTSS-UHFFFAOYSA-N 0 0 495.630 4.352 50 0 JIAARN CCOc1ccc(NC(=O)c2ccccc2NC(=O)CSc2nnc(C)n2C2CC2)cc1 ZINC000008894095 554783169 /nfs/dbraw/zinc/78/31/69/554783169.db2.gz AHGAWXONFPDRTQ-UHFFFAOYSA-N 0 0 451.552 4.303 50 0 JIAARN COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)c2cc(C)n(CCc3ccccc3)c2C)C1=O ZINC000008895546 554785110 /nfs/dbraw/zinc/78/51/10/554785110.db2.gz CCCGFFGBKVAIFQ-MUUNZHRXSA-N 0 0 473.573 4.092 50 0 JIAARN C[C@@H](Sc1nc2cc(S(=O)(=O)N(C)C)ccc2o1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000008896034 554785415 /nfs/dbraw/zinc/78/54/15/554785415.db2.gz VYDXHNSDLNZXKQ-QGZVFWFLSA-N 0 0 495.626 4.465 50 0 JIAARN CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)Nc4nccs4)cc3)cc2C1=O ZINC000008909507 554800112 /nfs/dbraw/zinc/80/01/12/554800112.db2.gz MLWVBIUMYRMOJZ-UHFFFAOYSA-N 0 0 462.531 4.290 50 0 JIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 ZINC000008910207 554800293 /nfs/dbraw/zinc/80/02/93/554800293.db2.gz MIRTVGINPDYFHY-UHFFFAOYSA-N 0 0 480.373 4.404 50 0 JIAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 ZINC000008910299 554800376 /nfs/dbraw/zinc/80/03/76/554800376.db2.gz NKGMQUMJDROYRQ-UHFFFAOYSA-N 0 0 461.518 4.288 50 0 JIAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N[C@H]2CCCC[C@@H]2C)s1 ZINC000008912490 554802974 /nfs/dbraw/zinc/80/29/74/554802974.db2.gz CEBXOPJWGPNOOW-RDJZCZTQSA-N 0 0 456.655 4.459 50 0 JIAARN COc1cccc(CSc2nc3ccncc3n2CC(=O)Nc2ccc(OC)c(OC)c2)c1 ZINC000008913128 554804398 /nfs/dbraw/zinc/80/43/98/554804398.db2.gz BYFWUGAGIRCQOJ-UHFFFAOYSA-N 0 0 464.547 4.388 50 0 JIAARN COCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccc(OC)cc2)cc1 ZINC000008913422 554805689 /nfs/dbraw/zinc/80/56/89/554805689.db2.gz ZCVGDZRKTYWMRJ-UHFFFAOYSA-N 0 0 462.575 4.157 50 0 JIAARN COc1ccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000008917781 554813281 /nfs/dbraw/zinc/81/32/81/554813281.db2.gz VUVNSUMJMLJMSK-HRNNMHKYSA-N 0 0 454.567 4.019 50 0 biogenic JIAARN C[C@]12C(=O)N(c3ccc(C(=O)NCc4ccccc4)cc3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000008918121 554814166 /nfs/dbraw/zinc/81/41/66/554814166.db2.gz BSVYUCDHCVVFGL-NDEPHWFRSA-N 0 0 464.525 4.338 50 0 biogenic JIAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cc(O)ccc2Br)N3)C1 ZINC000008920781 554817683 /nfs/dbraw/zinc/81/76/83/554817683.db2.gz KRDLOBBRKWHICZ-HNNXBMFYSA-N 0 0 452.330 4.160 50 0 JIAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)c(O)c(OCC)c2)N3)C1 ZINC000008920763 554817687 /nfs/dbraw/zinc/81/76/87/554817687.db2.gz BMCHJEOJMRXKON-QGZVFWFLSA-N 0 0 451.932 4.449 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000008921402 554818347 /nfs/dbraw/zinc/81/83/47/554818347.db2.gz RGVUFBGOLUPPAW-UHFFFAOYSA-N 0 0 486.332 4.219 50 0 JIAARN CCN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)s2)c2cc(Br)ccc21 ZINC000008921826 554818653 /nfs/dbraw/zinc/81/86/53/554818653.db2.gz GKAZVTQVCZTOMG-MRXNPFEDSA-N 0 0 459.159 4.100 50 0 JIAARN COc1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3)C2=O)c(OC)c1 ZINC000008922050 554818865 /nfs/dbraw/zinc/81/88/65/554818865.db2.gz XMPIPCRWRQGDRJ-RUZDIDTESA-N 0 0 451.906 4.365 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccc(OC)c(OC)c3)o1)CCC2 ZINC000008924692 554821519 /nfs/dbraw/zinc/82/15/19/554821519.db2.gz YCIHHWFZUTYKAZ-UHFFFAOYSA-N 0 0 489.575 4.212 50 0 JIAARN Cn1c(NCc2ccc(Cl)cc2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C ZINC000008926360 554822750 /nfs/dbraw/zinc/82/27/50/554822750.db2.gz RRTFYEQBEGWRFZ-UHFFFAOYSA-N 0 0 478.767 4.054 50 0 JIAARN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)cc2)cc1 ZINC000008927257 554824783 /nfs/dbraw/zinc/82/47/83/554824783.db2.gz GFAOXQISJGPJON-QFIPXVFZSA-N 0 0 471.509 4.302 50 0 JIAARN C[C@@H]1C[C@@H](C)CN(C(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)C1 ZINC000008933691 554827979 /nfs/dbraw/zinc/82/79/79/554827979.db2.gz KIHSQJOUPFUJGQ-NHCUHLMSSA-N 0 0 459.594 4.020 50 0 JIAARN O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008933706 554828117 /nfs/dbraw/zinc/82/81/17/554828117.db2.gz PUJIPAVAJMENOS-UHFFFAOYSA-N 0 0 457.509 4.293 50 0 JIAARN Cc1ccc(Oc2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)cc1C ZINC000008934441 554829132 /nfs/dbraw/zinc/82/91/32/554829132.db2.gz UVPVRAHFKWGIKO-UHFFFAOYSA-N 0 0 459.333 4.198 50 0 JIAARN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000008944210 554832990 /nfs/dbraw/zinc/83/29/90/554832990.db2.gz NAWXOLIKMOBOFB-HSZRJFAPSA-N 0 0 486.590 4.319 50 0 JIAARN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000008944200 554832995 /nfs/dbraw/zinc/83/29/95/554832995.db2.gz NAWXOLIKMOBOFB-QHCPKHFHSA-N 0 0 486.590 4.319 50 0 JIAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000008947441 554833535 /nfs/dbraw/zinc/83/35/35/554833535.db2.gz VUBSQTFQSAYACB-LLUVHWJNSA-N 0 0 465.638 4.472 50 0 JIAARN Cc1nn(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c(C)c1Cl ZINC000008965656 554840541 /nfs/dbraw/zinc/84/05/41/554840541.db2.gz PHAVKGYSQFEMRH-UHFFFAOYSA-N 0 0 458.971 4.179 50 0 JIAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000008966071 554841913 /nfs/dbraw/zinc/84/19/13/554841913.db2.gz TTXITYDRWIVJLB-OLZOCXBDSA-N 0 0 457.577 4.449 50 0 JIAARN Cc1cc(C)n2nc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3cccs3)nc2n1 ZINC000008966257 554842303 /nfs/dbraw/zinc/84/23/03/554842303.db2.gz AYIYLELAUWKQFY-OAHLLOKOSA-N 0 0 454.606 4.334 50 0 JIAARN CCOc1cc2c(cc1CNC(=O)COc1ccccc1C(=O)Nc1ccccc1)O[C@@H](C)C2 ZINC000008983136 554847489 /nfs/dbraw/zinc/84/74/89/554847489.db2.gz XBNAOOBDLOQNOQ-SFHVURJKSA-N 0 0 460.530 4.356 50 0 JIAARN COc1ccccc1N(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000008987877 554850389 /nfs/dbraw/zinc/85/03/89/554850389.db2.gz QEHSKYUEBBIZFQ-UHFFFAOYSA-N 0 0 493.354 4.431 50 0 JIAARN Cc1c(C)n(Cc2ccccn2)c2ncn3nc([C@H](C(C)C)N4C(=O)c5ccccc5C4=O)nc3c12 ZINC000008993045 554853502 /nfs/dbraw/zinc/85/35/02/554853502.db2.gz PHSYPNXMTRNLKD-QFIPXVFZSA-N 0 0 479.544 4.132 50 0 JIAARN COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)Nc1cccc(SC)c1)CCCS3 ZINC000008994673 554854619 /nfs/dbraw/zinc/85/46/19/554854619.db2.gz QIVYSSGQLWLBHL-UHFFFAOYSA-N 0 0 466.588 4.216 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2cc(=O)[nH]c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000009010557 554864005 /nfs/dbraw/zinc/86/40/05/554864005.db2.gz GHIVRTZKTBKPMU-UHFFFAOYSA-N 0 0 499.401 4.329 50 0 JIAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)CCn4nnc5ccccc5c4=O)cc3c2C)cc1 ZINC000009047774 554870731 /nfs/dbraw/zinc/87/07/31/554870731.db2.gz AUURCKJXNCRJQO-UHFFFAOYSA-N 0 0 482.496 4.115 50 0 JIAARN C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009056391 554874730 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CCOC(=O)c1c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2c1CCN(C(C)=O)C2 ZINC000009383179 555148244 /nfs/dbraw/zinc/14/82/44/555148244.db2.gz LSTAQKCZLBJSID-UHFFFAOYSA-N 0 0 476.554 4.313 50 0 JIAARN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1C ZINC000009384982 555148608 /nfs/dbraw/zinc/14/86/08/555148608.db2.gz UWVTXFRFKSHFGU-UHFFFAOYSA-N 0 0 468.531 4.057 50 0 JIAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1nnnn1-c1ccccc1OCC ZINC000009386700 555149093 /nfs/dbraw/zinc/14/90/93/555149093.db2.gz WVLLBYDORNIVIT-UHFFFAOYSA-N 0 0 499.574 4.290 50 0 JIAARN CC(C)(C)c1ccccc1NC(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000009386518 555149115 /nfs/dbraw/zinc/14/91/15/555149115.db2.gz CDOAAJCAJHAQTJ-UHFFFAOYSA-N 0 0 454.592 4.494 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCc2ccccc2COc2ccccc2)cc1 ZINC000009390151 555150771 /nfs/dbraw/zinc/15/07/71/555150771.db2.gz MKNFQRVXKFBPGH-UHFFFAOYSA-N 0 0 494.613 4.185 50 0 JIAARN CCOC(=O)CSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1cc(C)ccc1C ZINC000009390881 555152760 /nfs/dbraw/zinc/15/27/60/555152760.db2.gz ZVJKMERHYINSTF-UHFFFAOYSA-N 0 0 482.650 4.372 50 0 JIAARN CCSc1nnc(NC(=O)CSc2nnc(NC(=O)CSCc3ccccc3)s2)s1 ZINC000009391095 555153446 /nfs/dbraw/zinc/15/34/46/555153446.db2.gz KOYWKNRHGFWXCJ-UHFFFAOYSA-N 0 0 498.706 4.104 50 0 JIAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1 ZINC000009391223 555153881 /nfs/dbraw/zinc/15/38/81/555153881.db2.gz RXFCBYHKWTWRPB-ZCHVWDMZSA-N 0 0 491.569 4.378 50 0 biogenic JIAARN Cc1nnc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3C)c3ccccc23)s1 ZINC000009391857 555155910 /nfs/dbraw/zinc/15/59/10/555155910.db2.gz SIEOBZFIOZLHRU-UHFFFAOYSA-N 0 0 465.604 4.270 50 0 JIAARN CCn1c2ccccc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000009393635 555157246 /nfs/dbraw/zinc/15/72/46/555157246.db2.gz DQLGEFSRKIKTOY-MBOWNZTLSA-N 0 0 457.621 4.130 50 0 JIAARN COc1ccc(C(=O)NCCn2cc(SCC(=O)NC3CCCC3)c3ccccc32)cc1 ZINC000009394470 555157735 /nfs/dbraw/zinc/15/77/35/555157735.db2.gz TVXBGCYKESKFJF-UHFFFAOYSA-N 0 0 451.592 4.231 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)NC(=O)NC3CCCC3)n2CCc2ccccc2)cc1 ZINC000009396759 555158810 /nfs/dbraw/zinc/15/88/10/555158810.db2.gz AVSLTZNRVGJAGM-UHFFFAOYSA-N 0 0 479.606 4.057 50 0 JIAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)cc2C[C@H]1C ZINC000009397054 555159811 /nfs/dbraw/zinc/15/98/11/555159811.db2.gz PGESXIDWRKCVDS-GOSISDBHSA-N 0 0 483.634 4.147 50 0 JIAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3Cl)s2)c1 ZINC000009403629 555161905 /nfs/dbraw/zinc/16/19/05/555161905.db2.gz VUMYGOPRVXRAJK-UHFFFAOYSA-N 0 0 498.055 4.225 50 0 JIAARN CC[C@H](Sc1nc2nccnc2c(=O)n1Cc1ccccc1)C(=O)Nc1cc(C)ccc1OC ZINC000009405117 555163706 /nfs/dbraw/zinc/16/37/06/555163706.db2.gz XTUGINRSSSOJGS-FQEVSTJZSA-N 0 0 475.574 4.061 50 0 JIAARN CC[C@H](Sc1nc2nccnc2c(=O)n1CCc1c[nH]c2ccccc12)C(=O)NC1CCCCC1 ZINC000009405278 555164278 /nfs/dbraw/zinc/16/42/78/555164278.db2.gz QUNRFMICPASRIB-NRFANRHFSA-N 0 0 490.633 4.230 50 0 JIAARN Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC1)CCO2 ZINC000009405908 555165254 /nfs/dbraw/zinc/16/52/54/555165254.db2.gz TYTXHWQJUVMSOA-UHFFFAOYSA-N 0 0 451.567 4.129 50 0 JIAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCc3cc(OC)ccc3OC)CC2)c2cc(C)ccc2O1 ZINC000009406106 555165807 /nfs/dbraw/zinc/16/58/07/555165807.db2.gz FSPCICSPQFXDMW-NRFANRHFSA-N 0 0 481.593 4.138 50 0 JIAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NCCCN3CCCC3=O)c(C)c12 ZINC000009408506 555171142 /nfs/dbraw/zinc/17/11/42/555171142.db2.gz SNVKEUHMHMHXDK-UHFFFAOYSA-N 0 0 461.610 4.024 50 0 JIAARN O=C(Cc1csc(-c2ccsc2)n1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009412311 555179088 /nfs/dbraw/zinc/17/90/88/555179088.db2.gz XUYSYMWYQGREHW-UHFFFAOYSA-N 0 0 455.561 4.020 50 0 JIAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000009412182 555179185 /nfs/dbraw/zinc/17/91/85/555179185.db2.gz GEFCIEZPQGZGBA-GOSISDBHSA-N 0 0 478.599 4.386 50 0 JIAARN O=C(COc1ccc(Cl)cc1Cl)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2 ZINC000009413918 555180964 /nfs/dbraw/zinc/18/09/64/555180964.db2.gz CHBGUQWQGCPTOF-LJAQVGFWSA-N 0 0 454.310 4.098 50 0 JIAARN O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009415894 555183261 /nfs/dbraw/zinc/18/32/61/555183261.db2.gz DRMJCQAXHUFCKQ-UHFFFAOYSA-N 0 0 453.589 4.336 50 0 JIAARN O=C(Nc1nc2c(cc(F)cc2F)s1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009416953 555184564 /nfs/dbraw/zinc/18/45/64/555184564.db2.gz SVFIMDRVGMSBMS-UHFFFAOYSA-N 0 0 451.520 4.392 50 0 JIAARN Cc1cc2oc(=O)c(CC(=O)N(C)[C@H]3CCS(=O)(=O)C3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000009418673 555185592 /nfs/dbraw/zinc/18/55/92/555185592.db2.gz LYCRNIWXJDSGTL-SFHVURJKSA-N 0 0 479.554 4.011 50 0 JIAARN O=C(COc1ccc(Cl)cc1Cl)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000009424118 555188653 /nfs/dbraw/zinc/18/86/53/555188653.db2.gz SECNQZQWINOEMC-MRXNPFEDSA-N 0 0 462.782 4.242 50 0 JIAARN COc1cccc(NC(=O)[C@H](OC(=O)C2=NN(c3ccccc3)C(=O)CC2)c2ccccc2)c1 ZINC000009425419 555190151 /nfs/dbraw/zinc/19/01/51/555190151.db2.gz LLRSWIQNTSVVCV-XMMPIXPASA-N 0 0 457.486 4.101 50 0 JIAARN Cc1cc(C)cc(OCC(=O)N2N=C(c3ccc(Br)cc3)C[C@@]2(O)C(F)(F)F)c1 ZINC000009425739 555190633 /nfs/dbraw/zinc/19/06/33/555190633.db2.gz HSBTUYWEKNMOBN-LJQANCHMSA-N 0 0 471.273 4.332 50 0 JIAARN Cc1ccc(N(CCCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 ZINC000009426074 555190998 /nfs/dbraw/zinc/19/09/98/555190998.db2.gz DWEXWFVUILZHCC-UHFFFAOYSA-N 0 0 471.623 4.242 50 0 JIAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O)c1ccccc1 ZINC000009426066 555191029 /nfs/dbraw/zinc/19/10/29/555191029.db2.gz ORSTZXHEFSUGSW-HXUWFJFHSA-N 0 0 479.602 4.363 50 0 JIAARN COc1ccc(OC)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)nc21 ZINC000009427589 555192779 /nfs/dbraw/zinc/19/27/79/555192779.db2.gz RRNAMDSXIQSFRU-AWEZNQCLSA-N 0 0 475.592 4.129 50 0 JIAARN COc1ccc(CN2C(=S)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000009427615 555192783 /nfs/dbraw/zinc/19/27/83/555192783.db2.gz YNLMOSGRZHFJGL-QHCPKHFHSA-N 0 0 493.560 4.374 50 0 JIAARN CCN(CC)C(=O)Oc1c(I)cc(I)c2cccnc21 ZINC000009428468 555194128 /nfs/dbraw/zinc/19/41/28/555194128.db2.gz LETHTSAFYAITAJ-UHFFFAOYSA-N 0 0 496.086 4.285 50 0 JIAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)c(C)c1 ZINC000009429349 555196164 /nfs/dbraw/zinc/19/61/64/555196164.db2.gz PRWLBJGWCHFZMF-LJQANCHMSA-N 0 0 495.645 4.030 50 0 JIAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)N3CCC(Cc4ccccc4)CC3)cc2NC1=O ZINC000009430131 555197482 /nfs/dbraw/zinc/19/74/82/555197482.db2.gz AUBCSHKNCGHSDM-QFIPXVFZSA-N 0 0 486.659 4.155 50 0 JIAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3cccc(SC)c3)cc2NC1=O ZINC000009430134 555197499 /nfs/dbraw/zinc/19/74/99/555197499.db2.gz JNTOMAYUMWWNMV-QGZVFWFLSA-N 0 0 450.607 4.034 50 0 JIAARN CC(=O)N1c2ccc(S(=O)(=O)NCC3CCC(C(=O)Nc4ccc(C)cc4C)CC3)cc2C[C@H]1C ZINC000009430609 555198710 /nfs/dbraw/zinc/19/87/10/555198710.db2.gz AAEFSKSZPHOQQR-JSRJAPPDSA-N 0 0 497.661 4.324 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009431223 555199775 /nfs/dbraw/zinc/19/97/75/555199775.db2.gz VRKJGYPNYPXUGU-AREMUKBSSA-N 0 0 499.585 4.066 50 0 JIAARN CC[C@@H](C)n1c2nnc(CCCC(=O)NCCc3c[nH]c4ccccc34)n2c2ccsc2c1=O ZINC000009431432 555200182 /nfs/dbraw/zinc/20/01/82/555200182.db2.gz ZMFMIGQVQQGXKB-MRXNPFEDSA-N 0 0 476.606 4.240 50 0 JIAARN CSc1cccc(NC(=O)CCCc2nnc3n2c2ccsc2c(=O)n3CC(C)C)c1 ZINC000009431519 555200437 /nfs/dbraw/zinc/20/04/37/555200437.db2.gz ZIYMLDRUPHCOCT-UHFFFAOYSA-N 0 0 455.609 4.445 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@H]1c1cccs1 ZINC000009432549 555201787 /nfs/dbraw/zinc/20/17/87/555201787.db2.gz MTLAPDOWPNJSNW-XZOQPEGZSA-N 0 0 464.543 4.085 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C(=O)OC)cc2)[C@@H]1c1cccs1 ZINC000009432884 555202383 /nfs/dbraw/zinc/20/23/83/555202383.db2.gz QKOAGUPSLXKHTI-YADHBBJMSA-N 0 0 464.543 4.101 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccc(OC)cc2OC)[C@@H]1c1cccs1 ZINC000009432840 555202444 /nfs/dbraw/zinc/20/24/44/555202444.db2.gz FZBDIFPDNFXUEH-RPBOFIJWSA-N 0 0 494.613 4.051 50 0 JIAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(Cl)cn3)n2C[C@@H]2CCCO2)cc1 ZINC000009441410 555212106 /nfs/dbraw/zinc/21/21/06/555212106.db2.gz WSSFWBJRWUDFGI-KDOFPFPSSA-N 0 0 473.986 4.300 50 0 JIAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000009441861 555212762 /nfs/dbraw/zinc/21/27/62/555212762.db2.gz DWOXLAVCURAGIG-QFIPXVFZSA-N 0 0 477.542 4.398 50 0 JIAARN CC[C@@H](C)c1ccc(-n2c(S[C@H](C)C(=O)NC(N)=O)nc3ccc(Cl)cc3c2=O)cc1 ZINC000009442716 555215165 /nfs/dbraw/zinc/21/51/65/555215165.db2.gz BYPHLEZZNYETAM-CHWSQXEVSA-N 0 0 458.971 4.228 50 0 JIAARN CC(C)(C)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCCCC(N)=O)cc1 ZINC000009449379 555222146 /nfs/dbraw/zinc/22/21/46/555222146.db2.gz QAXGDFTYICJBKJ-UHFFFAOYSA-N 0 0 480.634 4.471 50 0 JIAARN CCCn1nc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)c2ccccc2c1=O ZINC000009452908 555224568 /nfs/dbraw/zinc/22/45/68/555224568.db2.gz RUXKRXSQFIATFL-UHFFFAOYSA-N 0 0 453.583 4.457 50 0 JIAARN COc1ccc(C2=NN(C(=O)CSc3nnc(NC4CC4)s3)[C@H](c3ccco3)C2)cc1 ZINC000009461620 555229461 /nfs/dbraw/zinc/22/94/61/555229461.db2.gz UQRNTVKODDSXAB-KRWDZBQOSA-N 0 0 455.565 4.184 50 0 JIAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccc(I)cc3)N2C1=O ZINC000009461602 555229508 /nfs/dbraw/zinc/22/95/08/555229508.db2.gz NLXYREXUJZDWIU-HOCLYGCPSA-N 0 0 484.359 4.282 50 0 JIAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)[nH]c1Cc1ccccc1 ZINC000009462865 555232245 /nfs/dbraw/zinc/23/22/45/555232245.db2.gz NKHVFVJEXAWZFO-SFHVURJKSA-N 0 0 484.647 4.213 50 0 JIAARN O=C(c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CCN(c2ccccc2Cl)CC1 ZINC000009464005 555235242 /nfs/dbraw/zinc/23/52/42/555235242.db2.gz DLKXGHQZSKFBQZ-UHFFFAOYSA-N 0 0 491.947 4.381 50 0 JIAARN C[C@H](c1ccccc1)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccccc2c1=O ZINC000009464998 555238193 /nfs/dbraw/zinc/23/81/93/555238193.db2.gz NOSVCTHBBZJDLT-MRXNPFEDSA-N 0 0 459.527 4.465 50 0 JIAARN COc1cccc(OCc2nnc3n2N=C(c2ccc(NC(=O)C(C)C)cc2)[C@@H](C)S3)c1 ZINC000009466000 555241382 /nfs/dbraw/zinc/24/13/82/555241382.db2.gz AJTCDHQETBBUOR-OAHLLOKOSA-N 0 0 451.552 4.207 50 0 JIAARN Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(C)n1C1CC1 ZINC000009466205 555241800 /nfs/dbraw/zinc/24/18/00/555241800.db2.gz MXBOIPXLKSZLRB-UHFFFAOYSA-N 0 0 452.532 4.280 50 0 JIAARN COc1ccc(NC(=O)c2ccc(C)n2C)cc1S(=O)(=O)Nc1cc(C)ccc1Br ZINC000009467602 555244931 /nfs/dbraw/zinc/24/49/31/555244931.db2.gz XDYJYZWAPGYCEN-UHFFFAOYSA-N 0 0 492.395 4.466 50 0 JIAARN O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 ZINC000009467879 555246025 /nfs/dbraw/zinc/24/60/25/555246025.db2.gz PJIHJBUFWDINDW-UHFFFAOYSA-N 0 0 484.478 4.350 50 0 JIAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(N2CCCC2)n1-c1ccccc1Cl ZINC000009468641 555248995 /nfs/dbraw/zinc/24/89/95/555248995.db2.gz ZRZYOZNFBXSMIX-MRXNPFEDSA-N 0 0 497.024 4.377 50 0 JIAARN Nc1ncnc2sc3c(c21)CCN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)C3 ZINC000009468760 555249135 /nfs/dbraw/zinc/24/91/35/555249135.db2.gz HCSWRKVANNXGKQ-LJQANCHMSA-N 0 0 492.004 4.373 50 0 JIAARN O=C(CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)Nc1ccc2c(c1)OCCCO2 ZINC000009468881 555249639 /nfs/dbraw/zinc/24/96/39/555249639.db2.gz AGTCNRQJTKZPCO-UHFFFAOYSA-N 0 0 485.997 4.413 50 0 JIAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3N(C)C)CC2)c1 ZINC000009469697 555252641 /nfs/dbraw/zinc/25/26/41/555252641.db2.gz ANCBFIKXMNAZKD-UHFFFAOYSA-N 0 0 497.539 4.013 50 0 JIAARN Cc1c(C(=O)OCC(=O)N2CCNC2=O)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000009469939 555253553 /nfs/dbraw/zinc/25/35/53/555253553.db2.gz SDFWXEFDHUYLGA-UHFFFAOYSA-N 0 0 469.466 4.061 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nc1 ZINC000009470764 555254176 /nfs/dbraw/zinc/25/41/76/555254176.db2.gz ZPEICBAKMUSRMP-UHFFFAOYSA-N 0 0 491.635 4.275 50 0 JIAARN CCOc1ccc(-n2c(SCOCCOC)nnc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009471025 555254564 /nfs/dbraw/zinc/25/45/64/555254564.db2.gz MEKQODQJNKFUGX-UHFFFAOYSA-N 0 0 475.567 4.071 50 0 JIAARN O=C(Nc1nc(-c2cccnc2)cs1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009477933 555259378 /nfs/dbraw/zinc/25/93/78/555259378.db2.gz FGTWTZHSUXPCDK-UHFFFAOYSA-N 0 0 478.599 4.398 50 0 JIAARN COc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccc5c(c4)OCO5)o3)n2)cc1OC ZINC000009480925 555260913 /nfs/dbraw/zinc/26/09/13/555260913.db2.gz LRCORWCYSXPLSH-UHFFFAOYSA-N 0 0 498.542 4.337 50 0 JIAARN COc1ccc(-c2coc3cc(OCC(=O)Nc4cccc(NC(C)=O)c4)ccc3c2=O)cc1OC ZINC000009485446 555262221 /nfs/dbraw/zinc/26/22/21/555262221.db2.gz GZPPWYGEVPKBQP-UHFFFAOYSA-N 0 0 488.496 4.453 50 0 biogenic JIAARN CCc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)cc1 ZINC000009490829 555266835 /nfs/dbraw/zinc/26/68/35/555266835.db2.gz WIXFPBALTSKTPV-ONOMSOESSA-N 0 0 484.600 4.492 50 0 JIAARN COc1ccc(C2=NN(C(=O)COc3ncnc4c3cnn4-c3ccccc3)[C@H](c3ccco3)C2)cc1 ZINC000009490911 555267012 /nfs/dbraw/zinc/26/70/12/555267012.db2.gz UWWCFVLSECULPT-QHCPKHFHSA-N 0 0 494.511 4.174 50 0 JIAARN Cc1ccc(C)c(C(=O)COC(=O)C2CCN(C(=O)CSc3ncnc4ccccc43)CC2)c1 ZINC000009492488 555272406 /nfs/dbraw/zinc/27/24/06/555272406.db2.gz CKMHXZFDPBGOGG-UHFFFAOYSA-N 0 0 477.586 4.003 50 0 JIAARN C[C@@H](OC(=O)CN1CCCCCC1=O)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000009493214 555274677 /nfs/dbraw/zinc/27/46/77/555274677.db2.gz IPPPDOAVKADFKR-QGZVFWFLSA-N 0 0 465.575 4.160 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCc1nc(-c2ccc(C)cc2)no1 ZINC000009495650 555280202 /nfs/dbraw/zinc/28/02/02/555280202.db2.gz MISRYQOJRXHIGN-UHFFFAOYSA-N 0 0 498.605 4.190 50 0 JIAARN CCc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000009495623 555280295 /nfs/dbraw/zinc/28/02/95/555280295.db2.gz GXVYTXJDJQZWAL-UHFFFAOYSA-N 0 0 453.955 4.364 50 0 JIAARN COc1cc(-c2nnc(S[C@H](C(=O)N3CCCC3)c3ccccc3)o2)cc(OC)c1OC ZINC000009496024 555280715 /nfs/dbraw/zinc/28/07/15/555280715.db2.gz XOZWUVXFYFMQCZ-FQEVSTJZSA-N 0 0 455.536 4.218 50 0 JIAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@@H]2CCSc3ccc(F)cc32)C1=O ZINC000009502420 555287018 /nfs/dbraw/zinc/28/70/18/555287018.db2.gz HUJFYTJRAHPXJZ-CJFMBICVSA-N 0 0 463.534 4.099 50 0 JIAARN CN(C(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1)C1CCCCC1 ZINC000009503163 555288206 /nfs/dbraw/zinc/28/82/06/555288206.db2.gz VONWLUUNUUVHFQ-GOSISDBHSA-N 0 0 453.612 4.489 50 0 JIAARN CCOc1ccc(-n2c(SCC(=O)N3CCCC3=O)nnc2-c2cccc(Cl)c2)cc1 ZINC000009507572 555292280 /nfs/dbraw/zinc/29/22/80/555292280.db2.gz WIZJAXYHAJRCCN-UHFFFAOYSA-N 0 0 456.955 4.228 50 0 JIAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nc3sc4c(c3c2=O)CCC4)cc1 ZINC000009507875 555293181 /nfs/dbraw/zinc/29/31/81/555293181.db2.gz YEYLXXASXPQGOZ-UHFFFAOYSA-N 0 0 490.610 4.074 50 0 JIAARN CCC(=O)Nc1ccc(C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2CCOC)cc1 ZINC000009508125 555293915 /nfs/dbraw/zinc/29/39/15/555293915.db2.gz ZWGRDUJSZBQWCZ-UHFFFAOYSA-N 0 0 459.593 4.045 50 0 JIAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)NC(=O)NCc1ccccc1 ZINC000009508249 555294266 /nfs/dbraw/zinc/29/42/66/555294266.db2.gz BZGCWGVUCYTONA-UHFFFAOYSA-N 0 0 475.549 4.251 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(F)cc1F)n2CC ZINC000009508303 555294350 /nfs/dbraw/zinc/29/43/50/555294350.db2.gz OFVDGGMVHYNJHI-UHFFFAOYSA-N 0 0 482.578 4.096 50 0 JIAARN COc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1OCc1c(C)noc1C ZINC000009508828 555295606 /nfs/dbraw/zinc/29/56/06/555295606.db2.gz QCJFRQGHJMTZKD-UHFFFAOYSA-N 0 0 499.589 4.306 50 0 JIAARN COc1ccc(-c2noc(CN3C(=O)N[C@](c4ccccc4)(c4ccc(C)c(C)c4)C3=O)n2)cc1OC ZINC000009515713 555307066 /nfs/dbraw/zinc/30/70/66/555307066.db2.gz HDACQHAEJVQZLV-MUUNZHRXSA-N 0 0 498.539 4.366 50 0 JIAARN O=C(CSc1nc(C(F)(F)F)nc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009515872 555307187 /nfs/dbraw/zinc/30/71/87/555307187.db2.gz JPYWKSCKOLTVSL-UHFFFAOYSA-N 0 0 496.536 4.164 50 0 JIAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000009516280 555307865 /nfs/dbraw/zinc/30/78/65/555307865.db2.gz GLWQIYQCQGGZMO-DEOSSOPVSA-N 0 0 478.614 4.096 50 0 JIAARN Cc1ccccc1-n1nnnc1SCC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009516779 555308933 /nfs/dbraw/zinc/30/89/33/555308933.db2.gz UCRDVOPTTBGUQI-UHFFFAOYSA-N 0 0 450.593 4.079 50 0 JIAARN CC(C)CCn1c(=O)c2c(nc3n2CCCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O ZINC000009519018 555315357 /nfs/dbraw/zinc/31/53/57/555315357.db2.gz FRHFMCAFKIFDIW-UHFFFAOYSA-N 0 0 459.550 4.277 50 0 JIAARN Cc1c(Cl)cccc1N1C[C@@H](C)Cn2c3c(nc21)n(C)c(=O)n(CCCc1ccccc1)c3=O ZINC000009519280 555315829 /nfs/dbraw/zinc/31/58/29/555315829.db2.gz QUVLONNFUFQGDA-QGZVFWFLSA-N 0 0 477.996 4.279 50 0 JIAARN COc1ccc2[nH]cc(CCNC(=O)CNC(=O)c3ccc4noc(-c5ccccc5)c4c3)c2c1 ZINC000009531443 555326356 /nfs/dbraw/zinc/32/63/56/555326356.db2.gz ATPDQELSBSVRMO-UHFFFAOYSA-N 0 0 468.513 4.073 50 0 JIAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OC ZINC000009632765 555334475 /nfs/dbraw/zinc/33/44/75/555334475.db2.gz SNFDNQRTAPPVTO-UHFFFAOYSA-N 0 0 481.574 4.117 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2ncnc3sc(C)c(C)c32)ccc1C ZINC000009545842 555338988 /nfs/dbraw/zinc/33/89/88/555338988.db2.gz NMXFCKQKEPXIQY-UHFFFAOYSA-N 0 0 478.665 4.378 50 0 JIAARN CCc1ccc(-c2nc(SCC(=O)Nc3cc(S(=O)(=O)N(CC)CC)ccc3C)n[nH]2)cc1 ZINC000013141658 555339047 /nfs/dbraw/zinc/33/90/47/555339047.db2.gz NDONXMXVIWXPCT-UHFFFAOYSA-N 0 0 487.651 4.104 50 0 JIAARN Cc1cccc(-c2nnc(SCC(=O)NC(=O)NC3CCCCC3)n2Cc2ccco2)c1 ZINC000009634555 555339639 /nfs/dbraw/zinc/33/96/39/555339639.db2.gz YNUGOLUKJAGRCA-UHFFFAOYSA-N 0 0 453.568 4.145 50 0 JIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)Nc1ccc(Br)cc1 ZINC000009634569 555339905 /nfs/dbraw/zinc/33/99/05/555339905.db2.gz HMJYEHSUYQGBQY-RHSMWYFYSA-N 0 0 488.407 4.457 50 0 JIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1c(C)c(C)sc1NC(C)=O ZINC000009635158 555341915 /nfs/dbraw/zinc/34/19/15/555341915.db2.gz JVWDLQIUNRRPAY-UHFFFAOYSA-N 0 0 488.484 4.163 50 0 JIAARN Cc1cc(C(=O)COC(=O)Cc2coc3cc(O)ccc23)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000013146492 555345941 /nfs/dbraw/zinc/34/59/41/555345941.db2.gz INMYUVCOVLIXHM-UHFFFAOYSA-N 0 0 461.470 4.302 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C[NH+]4CCCCC4)cc3)c2)on1 ZINC000009638063 555346427 /nfs/dbraw/zinc/34/64/27/555346427.db2.gz NWPZRYSBPWFENP-UHFFFAOYSA-N 0 0 499.589 4.314 50 0 JIAARN CCCCn1c(S[C@H](C(=O)NC(=O)NC)c2ccccc2)nnc1-c1ccc(OC)cc1 ZINC000013147891 555347628 /nfs/dbraw/zinc/34/76/28/555347628.db2.gz JDKKQTIYHSQYKG-IBGZPJMESA-N 0 0 453.568 4.043 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(C(C)C)c(C)c1 ZINC000009639139 555348174 /nfs/dbraw/zinc/34/81/74/555348174.db2.gz MAMOSLQBOKUCCQ-UHFFFAOYSA-N 0 0 460.596 4.319 50 0 JIAARN O=C(Nc1ccccc1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000009559574 555355128 /nfs/dbraw/zinc/35/51/28/555355128.db2.gz YRQCNOQPIPZXLK-INIZCTEOSA-N 0 0 483.384 4.178 50 0 JIAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cc3ccccc3)c2)C[C@H](C)O1 ZINC000009643295 555356193 /nfs/dbraw/zinc/35/61/93/555356193.db2.gz KMXZZLGUMKWMOB-PMACEKPBSA-N 0 0 464.587 4.328 50 0 JIAARN Cc1cc(C)cc(-n2c(=O)c3c(nc2SCC(=O)NCc2ccc(F)cc2)C[C@H](C)S3)c1 ZINC000009560175 555356225 /nfs/dbraw/zinc/35/62/25/555356225.db2.gz BBWVJKGGIXKZDR-INIZCTEOSA-N 0 0 469.607 4.434 50 0 JIAARN Cc1cc(C)cc(-n2c(=O)c3c(nc2SCC(=O)NCc2ccc(F)cc2)C[C@@H](C)S3)c1 ZINC000009560176 555356236 /nfs/dbraw/zinc/35/62/36/555356236.db2.gz BBWVJKGGIXKZDR-MRXNPFEDSA-N 0 0 469.607 4.434 50 0 JIAARN CSCC[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1)c1nc2ccccc2[nH]1 ZINC000009644957 555357342 /nfs/dbraw/zinc/35/73/42/555357342.db2.gz WPEAPMYKCBHQMF-FCHUYYIVSA-N 0 0 486.663 4.025 50 0 JIAARN COc1ccc(CCNc2nc3ccc(C(=O)c4ccccc4)cc3n3cnnc23)cc1OC ZINC000009561208 555358829 /nfs/dbraw/zinc/35/88/29/555358829.db2.gz XQGOGCIPFZXZPY-UHFFFAOYSA-N 0 0 453.502 4.180 50 0 JIAARN CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000009645939 555358889 /nfs/dbraw/zinc/35/88/89/555358889.db2.gz AYVKUWAZKSJSQY-UHFFFAOYSA-N 0 0 474.579 4.242 50 0 JIAARN COc1ccc(-c2nc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)sc2C)cc1 ZINC000009646753 555359983 /nfs/dbraw/zinc/35/99/83/555359983.db2.gz CNPLWIYKBAATGB-UHFFFAOYSA-N 0 0 457.577 4.092 50 0 JIAARN CCCCCCn1nc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c2ccccc2c1=O ZINC000009646836 555360223 /nfs/dbraw/zinc/36/02/23/555360223.db2.gz WPDRGKDXGPIQHU-UHFFFAOYSA-N 0 0 484.622 4.306 50 0 JIAARN C[C@@H](NC(=O)CSc1nnc(NCc2ccc(F)cc2)s1)c1ccc2c(c1)OCCO2 ZINC000013163337 555360815 /nfs/dbraw/zinc/36/08/15/555360815.db2.gz GRTFMJROFICPPB-CYBMUJFWSA-N 0 0 460.556 4.030 50 0 JIAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)CC1 ZINC000013163846 555362739 /nfs/dbraw/zinc/36/27/39/555362739.db2.gz RAIGXTLWKQHQOX-VWLOTQADSA-N 0 0 498.535 4.360 50 0 JIAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3cc(Cl)ccc3OC)cs2)c1 ZINC000009659241 555362802 /nfs/dbraw/zinc/36/28/02/555362802.db2.gz KAIOJQUZQZCNNS-UHFFFAOYSA-N 0 0 461.927 4.256 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(-c3ccccc3F)n1C1CC1)CC2 ZINC000013163869 555363087 /nfs/dbraw/zinc/36/30/87/555363087.db2.gz YLZQGLKVIRKWJH-UHFFFAOYSA-N 0 0 468.554 4.113 50 0 JIAARN COc1ccc(-c2noc(CSc3nnc(-c4ccc(OC)cc4OC)o3)n2)c(OC)c1 ZINC000013163907 555363192 /nfs/dbraw/zinc/36/31/92/555363192.db2.gz RJIBXVVHHWGTMP-UHFFFAOYSA-N 0 0 456.480 4.113 50 0 JIAARN CCOc1ccc2oc(C(=O)N3CCN(c4cnn(-c5ccccc5)c(=O)c4Cl)CC3)c(C)c2c1 ZINC000013164426 555364905 /nfs/dbraw/zinc/36/49/05/555364905.db2.gz CXMVFUKDZSWBBM-UHFFFAOYSA-N 0 0 492.963 4.302 50 0 JIAARN COc1ccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(Cl)cc2)c(OC)c1 ZINC000009661132 555365067 /nfs/dbraw/zinc/36/50/67/555365067.db2.gz WVJQFLFDUPZVRM-UHFFFAOYSA-N 0 0 489.923 4.233 50 0 JIAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3cc(C)n(CCc4cccs4)c3C)C2=O)cc1 ZINC000013164547 555365552 /nfs/dbraw/zinc/36/55/52/555365552.db2.gz XPRHVPWDQKXCDH-RUZDIDTESA-N 0 0 465.575 4.068 50 0 JIAARN O=C(/C=C/c1ccc2c(c1)OCO2)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12 ZINC000009569033 555365654 /nfs/dbraw/zinc/36/56/54/555365654.db2.gz WTPGHAPZZHKENF-KRXBUXKQSA-N 0 0 452.923 4.212 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)C(=O)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12 ZINC000009569072 555365975 /nfs/dbraw/zinc/36/59/75/555365975.db2.gz DTJGTBHPXMXBPU-UHFFFAOYSA-N 0 0 474.373 4.370 50 0 JIAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O ZINC000013164816 555366675 /nfs/dbraw/zinc/36/66/75/555366675.db2.gz SXBFCFLWVNWBMK-BSEYFRJRSA-N 0 0 462.531 4.029 50 0 JIAARN O=C(CSc1nnc2n1CCN2c1ccc(F)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000009573984 555370963 /nfs/dbraw/zinc/37/09/63/555370963.db2.gz YVTDIGMATNHEFR-UHFFFAOYSA-N 0 0 453.421 4.198 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(F)ccc3OC)o2)c1 ZINC000009663472 555370971 /nfs/dbraw/zinc/37/09/71/555370971.db2.gz MBDPBAJGMOEJKD-UHFFFAOYSA-N 0 0 451.545 4.207 50 0 JIAARN Cc1oc2cc(OCC(=O)N3CCC[C@H]3CO)ccc2c(=O)c1Oc1ccccc1Br ZINC000009575327 555371501 /nfs/dbraw/zinc/37/15/01/555371501.db2.gz XETDRKFUESOMLU-HNNXBMFYSA-N 0 0 488.334 4.018 50 0 JIAARN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N1CCN(c2nccs2)CC1 ZINC000009576078 555372723 /nfs/dbraw/zinc/37/27/23/555372723.db2.gz NYGSVOVVSQQFPA-HNNXBMFYSA-N 0 0 497.671 4.079 50 0 JIAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009664557 555373993 /nfs/dbraw/zinc/37/39/93/555373993.db2.gz GBGITWWIIQRWOO-UHFFFAOYSA-N 0 0 478.570 4.110 50 0 JIAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2nnnn2-c2ccc(OC)cc2)cc1 ZINC000009664818 555374655 /nfs/dbraw/zinc/37/46/55/555374655.db2.gz OZNXYCNMFOYXHL-UHFFFAOYSA-N 0 0 467.576 4.067 50 0 JIAARN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009665559 555376392 /nfs/dbraw/zinc/37/63/92/555376392.db2.gz MESWZHVYVGVITB-UHFFFAOYSA-N 0 0 460.921 4.128 50 0 JIAARN Cc1c(NC(=O)COc2ncnc3sc(-c4ccccc4)cc32)c(=O)n(-c2ccccc2)n1C ZINC000009578021 555378083 /nfs/dbraw/zinc/37/80/83/555378083.db2.gz NIYAAKUUSFDOHQ-UHFFFAOYSA-N 0 0 471.542 4.174 50 0 JIAARN O=C(COC(=O)c1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1)Nc1ccccc1 ZINC000009666219 555378164 /nfs/dbraw/zinc/37/81/64/555378164.db2.gz UINDBRPQUMWQBT-UHFFFAOYSA-N 0 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COc1cccc(CNC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1 ZINC000013355265 555382669 /nfs/dbraw/zinc/38/26/69/555382669.db2.gz IRKCZIRPKFWRNQ-UHFFFAOYSA-N 0 0 450.560 4.077 50 0 biogenic JIAARN Cc1c(NC(=O)c2cccc(NC(=O)C3=Cc4ccccc4OC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000009579440 555383012 /nfs/dbraw/zinc/38/30/12/555383012.db2.gz OIDKWSJADKALEH-UHFFFAOYSA-N 0 0 480.524 4.151 50 0 JIAARN CC(C)[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000009579461 555383159 /nfs/dbraw/zinc/38/31/59/555383159.db2.gz GUGUZEAHXUJWDU-HSZRJFAPSA-N 0 0 495.626 4.175 50 0 JIAARN COc1cc(NC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(C)cc2)CC3)cc(OC)c1 ZINC000013355951 555383117 /nfs/dbraw/zinc/38/31/17/555383117.db2.gz BZUZTJLQIJSSQA-UHFFFAOYSA-N 0 0 467.547 4.408 50 0 JIAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1S[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000009669432 555383647 /nfs/dbraw/zinc/38/36/47/555383647.db2.gz RRFMOBZXOYIOBC-HSZRJFAPSA-N 0 0 498.674 4.343 50 0 JIAARN 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CC[C@H](C)n1c(=O)c2ccccc2nc1SCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000009672238 555393457 /nfs/dbraw/zinc/39/34/57/555393457.db2.gz SBVXODGVHJOUNZ-INIZCTEOSA-N 0 0 499.662 4.280 50 0 JIAARN C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009672508 555394741 /nfs/dbraw/zinc/39/47/41/555394741.db2.gz KBHQESGAYUSAOE-MRXNPFEDSA-N 0 0 494.013 4.115 50 0 JIAARN COc1cc(OC)c([C@@H]2OC(c3cccc(Br)c3)=NN2C(C)=O)cc1Br ZINC000009586113 555396308 /nfs/dbraw/zinc/39/63/08/555396308.db2.gz UDBDFIXAHZSGNO-SFHVURJKSA-N 0 0 484.144 4.468 50 0 JIAARN Cc1c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc2oc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000009673153 555396329 /nfs/dbraw/zinc/39/63/29/555396329.db2.gz BLCQYUUBSBDDAA-UHFFFAOYSA-N 0 0 484.574 4.353 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1)NC(=O)NC1CCCC1 ZINC000009588037 555400106 /nfs/dbraw/zinc/40/01/06/555400106.db2.gz ACCYSHDNTUXKSZ-UHFFFAOYSA-N 0 0 454.596 4.148 50 0 JIAARN NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000009588565 555400994 /nfs/dbraw/zinc/40/09/94/555400994.db2.gz HTGKHSGMLUWILI-UHFFFAOYSA-N 0 0 473.967 4.131 50 0 JIAARN O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000009588905 555401794 /nfs/dbraw/zinc/40/17/94/555401794.db2.gz LUJFKCDEWYXJLD-UHFFFAOYSA-N 0 0 462.984 4.285 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)c3cccn4c(=O)c5c6c(sc5nc34)CCCC6)CC2)c1 ZINC000009677807 555402209 /nfs/dbraw/zinc/40/22/09/555402209.db2.gz UJUMFXDGQRXWSP-UHFFFAOYSA-N 0 0 472.614 4.367 50 0 JIAARN CC(C)c1ccc(OCc2nnc(S[C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)n2N)cc1 ZINC000009589385 555402432 /nfs/dbraw/zinc/40/24/32/555402432.db2.gz GWGCHDHZLHNMNP-JTSKRJEESA-N 0 0 465.623 4.369 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc3oc(SCC(=O)N[C@H](C)c4ccco4)nc3c2)cc1 ZINC000009593242 555408304 /nfs/dbraw/zinc/40/83/04/555408304.db2.gz RIDSRTYUBSEIGX-CQSZACIVSA-N 0 0 487.559 4.200 50 0 JIAARN COc1ccc(-n2nc(C(=O)Nc3ccccc3OC)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681692 555409476 /nfs/dbraw/zinc/40/94/76/555409476.db2.gz LJMBPEIZVJYECQ-UHFFFAOYSA-N 0 0 454.486 4.147 50 0 JIAARN COc1ccc(-n2nc(C(=O)NCc3ccc(C)cc3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681914 555409981 /nfs/dbraw/zinc/40/99/81/555409981.db2.gz MBXIXRHIXYIHCI-UHFFFAOYSA-N 0 0 452.514 4.124 50 0 JIAARN COc1ccc(N(C)C(=O)c2nn(-c3ccc(C)cc3)c(=O)c3c2c2ccccc2n3C)c(OC)c1 ZINC000009682064 555410273 /nfs/dbraw/zinc/41/02/73/555410273.db2.gz SNHPNZHVRDQOPX-UHFFFAOYSA-N 0 0 482.540 4.480 50 0 JIAARN CC[C@@H](c1nnc(SCC(=O)c2ccc3c(c2)CCC(=O)N3)n1Cc1ccccc1)N(C)C ZINC000009594655 555410537 /nfs/dbraw/zinc/41/05/37/555410537.db2.gz BODQWXMFZPTCRB-NRFANRHFSA-N 0 0 463.607 4.199 50 0 JIAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(OCc3cn4ccccc4n3)cc2)CC1 ZINC000009594912 555411273 /nfs/dbraw/zinc/41/12/73/555411273.db2.gz OLCVRJLLXQDPFD-UHFFFAOYSA-N 0 0 454.530 4.404 50 0 JIAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N[C@H](c2nccn2C)c2ccccc2)c1 ZINC000009596003 555412509 /nfs/dbraw/zinc/41/25/09/555412509.db2.gz RNTHRFIBIWGXIK-QHCPKHFHSA-N 0 0 495.004 4.418 50 0 JIAARN CCc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)NCCC3=CCCCC3)c2=O)cc1 ZINC000009599027 555418164 /nfs/dbraw/zinc/41/81/64/555418164.db2.gz PDYWZGQQTFBASD-UHFFFAOYSA-N 0 0 465.619 4.400 50 0 JIAARN CCN(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21)c1ccc(C)c(C)c1 ZINC000009692629 555420689 /nfs/dbraw/zinc/42/06/89/555420689.db2.gz GEPIUJMCTKMDJX-QFIPXVFZSA-N 0 0 494.642 4.251 50 0 JIAARN O=C(Nc1ccccc1Cl)[C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000009692593 555420828 /nfs/dbraw/zinc/42/08/28/555420828.db2.gz OZYBWJJPRSFNBL-GOSISDBHSA-N 0 0 458.952 4.003 50 0 JIAARN O=C(CSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1)NCc1ccc(F)cc1 ZINC000009600084 555421702 /nfs/dbraw/zinc/42/17/02/555421702.db2.gz UMULTUJRAIESPZ-UHFFFAOYSA-N 0 0 470.473 4.357 50 0 JIAARN COc1ccc(-n2nc(C(=O)NCCCOC(C)C)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000009693689 555422903 /nfs/dbraw/zinc/42/29/03/555422903.db2.gz UIQMUNUDUTYXBH-UHFFFAOYSA-N 0 0 482.968 4.084 50 0 JIAARN Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)N1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000009693980 555423535 /nfs/dbraw/zinc/42/35/35/555423535.db2.gz MURIVPLMBBNAAL-OGPYBGEISA-N 0 0 465.619 4.253 50 0 JIAARN O=C(NCc1ccccn1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O ZINC000009694007 555424088 /nfs/dbraw/zinc/42/40/88/555424088.db2.gz ZTQWABRXJBOUOO-PGUFJCEWSA-N 0 0 485.540 4.478 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(NC(C)=O)cc2)c2cccc(Cl)c2)cc1 ZINC000009601221 555425393 /nfs/dbraw/zinc/42/53/93/555425393.db2.gz CPFFBFJCDSJABW-UHFFFAOYSA-N 0 0 487.965 4.141 50 0 JIAARN CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)cc1C ZINC000009703916 555428862 /nfs/dbraw/zinc/42/88/62/555428862.db2.gz NRMWHDYFALJDAZ-UHFFFAOYSA-N 0 0 488.587 4.319 50 0 JIAARN CCCCN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000009704121 555429169 /nfs/dbraw/zinc/42/91/69/555429169.db2.gz XYRAUJXENMTTPD-QFIPXVFZSA-N 0 0 498.674 4.151 50 0 JIAARN COc1ccc(C)c2sc(N(CCN(C)C)C(=O)CCS(=O)(=O)c3ccc(Cl)cc3)nc21 ZINC000009707991 555432081 /nfs/dbraw/zinc/43/20/81/555432081.db2.gz KVWOHXMLOMYBDF-UHFFFAOYSA-N 0 0 496.054 4.025 50 0 JIAARN CCN(CC)CCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1nc2c(cccc2Cl)s1 ZINC000009707960 555432116 /nfs/dbraw/zinc/43/21/16/555432116.db2.gz NDPABXYUOWJLTG-UHFFFAOYSA-N 0 0 466.028 4.342 50 0 JIAARN COc1cc(CN(C)C(=O)Cn2cnc3sc(C)c(C)c3c2=O)ccc1OCc1ccccc1 ZINC000009607227 555433887 /nfs/dbraw/zinc/43/38/87/555433887.db2.gz LJSWWULTHRUQLL-UHFFFAOYSA-N 0 0 477.586 4.321 50 0 JIAARN COc1cc(/C=C/C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)ccc1O ZINC000009713143 555438263 /nfs/dbraw/zinc/43/82/63/555438263.db2.gz DESRJIKGACDAJB-WNPFHQFXSA-N 0 0 460.458 4.386 50 0 JIAARN Cc1ccc(-n2c(S[C@@H](C)c3nnc(-c4cccs4)o3)nnc2N2CCOCC2)cc1 ZINC000009609743 555438277 /nfs/dbraw/zinc/43/82/77/555438277.db2.gz IFLRKVYHEPDKHR-HNNXBMFYSA-N 0 0 454.581 4.377 50 0 JIAARN Cc1c(C2=CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)c2ccccc2n1CC(=O)N1CCCC1 ZINC000009612137 555444461 /nfs/dbraw/zinc/44/44/61/555444461.db2.gz HCVNZHIGKODHQP-UHFFFAOYSA-N 0 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VVIQWRQAKAQIPK-UHFFFAOYSA-N 0 0 473.598 4.092 50 0 JIAARN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C ZINC000019892127 555530729 /nfs/dbraw/zinc/53/07/29/555530729.db2.gz RCODOHJXYRWRMC-VJBMBRPKSA-N 0 0 454.567 4.212 50 0 JIAARN CCOC(=O)c1c(NC(=O)N2CCN(Cc3ccccc3)CC2)sc2c1CC(C)(C)OC2 ZINC000013607075 555531354 /nfs/dbraw/zinc/53/13/54/555531354.db2.gz SDMCBHMOCNXGSX-UHFFFAOYSA-N 0 0 457.596 4.126 50 0 JIAARN O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019893145 555531381 /nfs/dbraw/zinc/53/13/81/555531381.db2.gz PFVDCOVKDKLZCS-UHFFFAOYSA-N 0 0 468.523 4.324 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccc(Cl)c(S(=O)(=O)N3CCCCC3)c1)CC2 ZINC000013607463 555531620 /nfs/dbraw/zinc/53/16/20/555531620.db2.gz XUNAONIEBIOQKB-MRXNPFEDSA-N 0 0 493.025 4.291 50 0 JIAARN COc1ccc(C2=NO[C@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)cc1OC ZINC000019894445 555532684 /nfs/dbraw/zinc/53/26/84/555532684.db2.gz FDXHKBVMRPAAQB-MHZLTWQESA-N 0 0 485.584 4.131 50 0 JIAARN O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000019897337 555532895 /nfs/dbraw/zinc/53/28/95/555532895.db2.gz PKOANYSWVCQZIL-UHFFFAOYSA-N 0 0 498.377 4.023 50 0 JIAARN COc1ccc(-c2nc3c(s2)CN(C(=O)/C=C/c2ccc4c(c2)OCO4)CC3)cc1OC ZINC000013609741 555533184 /nfs/dbraw/zinc/53/31/84/555533184.db2.gz PJIPRBGLZPDTAG-XBXARRHUSA-N 0 0 450.516 4.154 50 0 JIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000009832083 555534998 /nfs/dbraw/zinc/53/49/98/555534998.db2.gz MAJPJQYJQQTYKX-ZDUSSCGKSA-N 0 0 458.927 4.158 50 0 JIAARN CCN1CCN(C2=C(Sc3ccccc3)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000019912163 555538325 /nfs/dbraw/zinc/53/83/25/555538325.db2.gz PWIWTCBKUVQRBO-UHFFFAOYSA-N 0 0 461.509 4.220 50 0 JIAARN CCOC(=O)N1CCC(N2Cc3cccc(C(=O)N[C@H](C)CCc4ccccc4)c3C2=O)CC1 ZINC000009838873 555543210 /nfs/dbraw/zinc/54/32/10/555543210.db2.gz FLVZGGDHWLUMET-LJQANCHMSA-N 0 0 463.578 4.014 50 0 JIAARN Cc1ccc(-c2nn(CCC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)c3ccccc32)cc1 ZINC000019928822 555544723 /nfs/dbraw/zinc/54/47/23/555544723.db2.gz APCJGQAMTHTAOT-UHFFFAOYSA-N 0 0 466.585 4.106 50 0 JIAARN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2c(C)cccc2C)cc1OC ZINC000009846006 555545667 /nfs/dbraw/zinc/54/56/67/555545667.db2.gz SFFMEVWURISFTM-UHFFFAOYSA-N 0 0 482.602 4.193 50 0 JIAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(OC)cc1OC ZINC000009856013 555556367 /nfs/dbraw/zinc/55/63/67/555556367.db2.gz APMRECUGPCCFKT-UHFFFAOYSA-N 0 0 486.524 4.287 50 0 JIAARN Cc1ccccc1C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O ZINC000019939390 555557592 /nfs/dbraw/zinc/55/75/92/555557592.db2.gz JJNDAIKWADAGOG-XMMPIXPASA-N 0 0 451.448 4.473 50 0 JIAARN CCOc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(C)ccc32)cc1 ZINC000009856959 555557802 /nfs/dbraw/zinc/55/78/02/555557802.db2.gz IISUBWYOHHFPMU-UHFFFAOYSA-N 0 0 490.581 4.489 50 0 JIAARN CCc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc(F)ccc32)cc1 ZINC000009857031 555558041 /nfs/dbraw/zinc/55/80/41/555558041.db2.gz RSCMFVYQVDEOPK-UHFFFAOYSA-N 0 0 464.518 4.175 50 0 JIAARN CCc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc(OC)ccc32)cc1 ZINC000009857024 555558080 /nfs/dbraw/zinc/55/80/80/555558080.db2.gz ZPOMNWWBIZMGNH-UHFFFAOYSA-N 0 0 476.554 4.044 50 0 JIAARN CCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3cccc(OC)c3)c3ccc(F)cc3c2=O)cc1 ZINC000009857357 555558726 /nfs/dbraw/zinc/55/87/26/555558726.db2.gz JVUSAQKAMRKNLN-UHFFFAOYSA-N 0 0 494.544 4.183 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(C)cc2)c1 ZINC000009858415 555559970 /nfs/dbraw/zinc/55/99/70/555559970.db2.gz UUZIBPUOEVVBMX-UHFFFAOYSA-N 0 0 477.590 4.253 50 0 JIAARN Cn1c(=O)c2c3c(sc2nc1SCc1cc(=O)n2nc(-c4ccccc4)sc2n1)CCCC3 ZINC000009858694 555560185 /nfs/dbraw/zinc/56/01/85/555560185.db2.gz CWUMLHOFCCDRPF-UHFFFAOYSA-N 0 0 493.639 4.298 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1C ZINC000019942814 555561251 /nfs/dbraw/zinc/56/12/51/555561251.db2.gz ATGYSBVHCRQDSP-UHFFFAOYSA-N 0 0 450.604 4.408 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000019947413 555563890 /nfs/dbraw/zinc/56/38/90/555563890.db2.gz XLUPBHHRAXXJSW-UHFFFAOYSA-N 0 0 466.559 4.314 50 0 JIAARN CN1CCc2c(sc3nc(SCC(=O)Nc4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000019949727 555566320 /nfs/dbraw/zinc/56/63/20/555566320.db2.gz OXBLZZVMOIYFJD-UHFFFAOYSA-N 0 0 462.600 4.166 50 0 JIAARN CCOC(=O)c1sc(NC(=O)CN2c3ccccc3S[C@@H](C)CC2=O)c(C(=O)OCC)c1C ZINC000009970141 555567456 /nfs/dbraw/zinc/56/74/56/555567456.db2.gz DZZILANEFZIKQT-ZDUSSCGKSA-N 0 0 490.603 4.266 50 0 JIAARN COc1ccccc1CNc1nc2c(S(=O)(=O)c3ccc(Cl)cc3)nnn2c2ccsc21 ZINC000009971167 555568867 /nfs/dbraw/zinc/56/88/67/555568867.db2.gz SFKNHPCPWBRBKO-UHFFFAOYSA-N 0 0 485.978 4.446 50 0 JIAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000009983272 555582692 /nfs/dbraw/zinc/58/26/92/555582692.db2.gz GQPHEISJOFZYBC-UHFFFAOYSA-N 0 0 498.992 4.308 50 0 JIAARN COc1ccc(-c2nc3c(s2)CN(C(=S)Nc2cccc4nonc42)CC3)cc1OC ZINC000013690108 555583764 /nfs/dbraw/zinc/58/37/64/555583764.db2.gz HJBIDEGQCSGGLB-UHFFFAOYSA-N 0 0 453.549 4.119 50 0 JIAARN COc1ccc(-c2coc3cc(OCC(=O)Nc4ccc(Cn5cncn5)cc4)ccc3c2=O)cc1 ZINC000013693580 555588602 /nfs/dbraw/zinc/58/86/02/555588602.db2.gz OSQATEWUBOQFGP-UHFFFAOYSA-N 0 0 482.496 4.126 50 0 biogenic JIAARN O=S(=O)(c1ccc(I)cc1)N1CCS[C@@H]1c1ccccc1Cl ZINC000010013848 555594914 /nfs/dbraw/zinc/59/49/14/555594914.db2.gz YSMGYQWEPQHKEK-OAHLLOKOSA-N 0 0 465.765 4.381 50 0 JIAARN CCCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1S[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000010016647 555595605 /nfs/dbraw/zinc/59/56/05/555595605.db2.gz RCIXOEWUEBQXCV-AWEZNQCLSA-N 0 0 496.058 4.254 50 0 JIAARN CC1(C)Cc2c(sc3c2c2nc(-c4cccnc4)nn2c(=O)n3Cc2ccc(F)cc2)CO1 ZINC000013721111 555596831 /nfs/dbraw/zinc/59/68/31/555596831.db2.gz RYRGFSSVCNZZTF-UHFFFAOYSA-N 0 0 461.522 4.206 50 0 JIAARN COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)Cn4cnc5ccccc5c4=O)ccc3c2C)c1 ZINC000013722658 555597835 /nfs/dbraw/zinc/59/78/35/555597835.db2.gz VPGURWGTBKENFQ-UHFFFAOYSA-N 0 0 497.507 4.338 50 0 JIAARN O=C(CCCCCNC(=O)c1cc2ccccc2[nH]1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000013723823 555599407 /nfs/dbraw/zinc/59/94/07/555599407.db2.gz ZMHKKWOEIMWBCZ-UHFFFAOYSA-N 0 0 452.986 4.460 50 0 JIAARN COc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccc5c(c4)OCO5)o3)n2)c(OC)c1 ZINC000010026782 555599601 /nfs/dbraw/zinc/59/96/01/555599601.db2.gz DEVLLXGRNDVZCB-UHFFFAOYSA-N 0 0 498.542 4.337 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(SC)c2)c2ccc(F)cc2)cc1OC ZINC000010034886 555601864 /nfs/dbraw/zinc/60/18/64/555601864.db2.gz DATUIVNIXOOJEX-UHFFFAOYSA-N 0 0 490.578 4.399 50 0 JIAARN CCOc1ccc2nc(NC(=O)[C@@H](CC)Sc3nc(=O)cc(N)n3-c3ccccc3)sc2c1 ZINC000010035021 555602233 /nfs/dbraw/zinc/60/22/33/555602233.db2.gz DTRHKBPDHWNAOY-QGZVFWFLSA-N 0 0 481.603 4.333 50 0 JIAARN COc1ccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1OC ZINC000010034936 555602285 /nfs/dbraw/zinc/60/22/85/555602285.db2.gz YAWUBNLOEQYTBI-UHFFFAOYSA-N 0 0 467.758 4.069 50 0 JIAARN O=c1n2nc(-c3ccncc3)nc2c2c3c(sc2n1Cc1ccc(Br)cc1)CCC3 ZINC000013732414 555604337 /nfs/dbraw/zinc/60/43/37/555604337.db2.gz ZCDODACKBDKYKI-UHFFFAOYSA-N 0 0 478.375 4.467 50 0 JIAARN COc1ccc(C(=O)c2oc3cc(NC(=O)Cn4cnc5ccccc5c4=O)ccc3c2C)cc1 ZINC000013732322 555604458 /nfs/dbraw/zinc/60/44/58/555604458.db2.gz RHBKJIWWDMTBMZ-UHFFFAOYSA-N 0 0 467.481 4.329 50 0 JIAARN O=C(c1ccn(COc2cccc(Cl)c2)n1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000020028686 555604538 /nfs/dbraw/zinc/60/45/38/555604538.db2.gz NPPLMORJQYLBEO-UHFFFAOYSA-N 0 0 463.340 4.324 50 0 JIAARN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2ccc(Br)cc2)C1=O ZINC000013732828 555604860 /nfs/dbraw/zinc/60/48/60/555604860.db2.gz JRKSHNSHXXMBFL-OAQYLSRUSA-N 0 0 463.335 4.411 50 0 JIAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@](O)(CC(=O)c3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000010059533 555610552 /nfs/dbraw/zinc/61/05/52/555610552.db2.gz LWSPYWLMWPIYTQ-AREMUKBSSA-N 0 0 463.917 4.427 50 0 JIAARN CC(C)c1ccc(CN(C(=O)c2ccccc2Br)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000013758184 555611420 /nfs/dbraw/zinc/61/14/20/555611420.db2.gz PFOBACVVRHDMBX-SFHVURJKSA-N 0 0 450.398 4.402 50 0 JIAARN CCN(CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2c(cc(C)cc2C)s1 ZINC000010067144 555614355 /nfs/dbraw/zinc/61/43/55/555614355.db2.gz TYWFUHXAJCCBFU-UHFFFAOYSA-N 0 0 473.664 4.452 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000013773812 555615303 /nfs/dbraw/zinc/61/53/03/555615303.db2.gz FIAAERPVOPLDJK-DIUABYGMSA-N 0 0 464.974 4.117 50 0 JIAARN Cc1cc(C(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000010109309 555618848 /nfs/dbraw/zinc/61/88/48/555618848.db2.gz XBJLSLKOBXQNST-IBGZPJMESA-N 0 0 495.626 4.094 50 0 JIAARN CCOc1cc(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)cc(OCC)c1OCC ZINC000010109486 555619005 /nfs/dbraw/zinc/61/90/05/555619005.db2.gz PFSBECHBMLUXMX-UHFFFAOYSA-N 0 0 450.482 4.262 50 0 JIAARN CSc1nc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c(N(C[C@@H](C)O)C[C@H](C)O)n1 ZINC000013803575 555622279 /nfs/dbraw/zinc/62/22/79/555622279.db2.gz JYLPYRRWVQAJKM-BETUJISGSA-N 0 0 470.620 4.278 50 0 JIAARN O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1CNc1ccc(I)cc1 ZINC000020073444 555628034 /nfs/dbraw/zinc/62/80/34/555628034.db2.gz UBZKMWGLKBAZKZ-OQLLNIDSSA-N 0 0 452.273 4.103 50 0 JIAARN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000010119432 555630611 /nfs/dbraw/zinc/63/06/11/555630611.db2.gz BYICMWBXHYGQOO-UHFFFAOYSA-N 0 0 472.950 4.361 50 0 JIAARN CCC[C@H](O)c1cc2c(cc1NC(=O)c1ccccc1I)OCCO2 ZINC000020096372 555632217 /nfs/dbraw/zinc/63/22/17/555632217.db2.gz OZMWCIYDNDNEIY-INIZCTEOSA-N 0 0 453.276 4.148 50 0 JIAARN COc1cc(OC)c(NC(=O)Cn2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc1Cl ZINC000020095767 555632312 /nfs/dbraw/zinc/63/23/12/555632312.db2.gz BJKVRDVTRRSWCW-UHFFFAOYSA-N 0 0 453.926 4.098 50 0 JIAARN COc1ccc(-n2c(=O)c3ccc(C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)cc3[nH]c2=S)cc1OC ZINC000020102888 555635298 /nfs/dbraw/zinc/63/52/98/555635298.db2.gz JZWIXGHKCHIWOX-YZVOILCLSA-N 0 0 467.591 4.246 50 0 JIAARN CCN1c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)c3cccc(c23)C1=O ZINC000010131263 555635537 /nfs/dbraw/zinc/63/55/37/555635537.db2.gz DZCNLMFQILIECE-UHFFFAOYSA-N 0 0 489.553 4.486 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2)c1 ZINC000010155666 555637865 /nfs/dbraw/zinc/63/78/65/555637865.db2.gz ZITRZDKSNKWXJO-SFHVURJKSA-N 0 0 452.532 4.086 50 0 JIAARN COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000013880730 555639066 /nfs/dbraw/zinc/63/90/66/555639066.db2.gz XDRZCRHYOWXFKQ-KEBDBYFISA-N 0 0 456.520 4.004 50 0 JIAARN CN1CCN(c2ccc(-c3ccc(NC(=O)COc4ccc5ccccc5c4)cc3)nn2)CC1 ZINC000010186651 555640040 /nfs/dbraw/zinc/64/00/40/555640040.db2.gz LYFATHHMDDQDRR-UHFFFAOYSA-N 0 0 453.546 4.066 50 0 JIAARN Cc1cccc(C)c1NC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC000020108321 555643085 /nfs/dbraw/zinc/64/30/85/555643085.db2.gz FGAZJQZDPDKVSU-IFMALSPDSA-N 0 0 451.567 4.499 50 0 JIAARN O=C(CCS(=O)(=O)c1ccccc1)N(Cc1ccccn1)c1nc2c(cccc2F)s1 ZINC000010187590 555643638 /nfs/dbraw/zinc/64/36/38/555643638.db2.gz SKRPZCUXLHMZMA-UHFFFAOYSA-N 0 0 455.536 4.228 50 0 JIAARN COc1ccc(CNc2nnc(SCC(=O)c3ccc(N4CCCC4=O)cc3)s2)cc1 ZINC000010214835 555648352 /nfs/dbraw/zinc/64/83/52/555648352.db2.gz TYEHQTMZEBOYKC-UHFFFAOYSA-N 0 0 454.577 4.261 50 0 JIAARN O=C(Cc1sc(N2CCCCC2)nc1O)Nc1cccc(C(=O)NCCCCc2ccccc2)c1 ZINC000010216872 555649581 /nfs/dbraw/zinc/64/95/81/555649581.db2.gz GDNDFOOAPVDJMZ-QHCPKHFHSA-N 0 0 492.645 4.252 50 0 JIAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2SC[C@@H]2CCCO2)CC1 ZINC000010218170 555650439 /nfs/dbraw/zinc/65/04/39/555650439.db2.gz CLQANZRVRBHTOM-IBGZPJMESA-N 0 0 468.575 4.177 50 0 JIAARN C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000013940528 555651207 /nfs/dbraw/zinc/65/12/07/555651207.db2.gz ROMOCONNSDWGGI-IYBDPMFKSA-N 0 0 483.366 4.137 50 0 JIAARN COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1 ZINC000010218665 555651468 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NMYAYLQMMVBDDH-JTQLQIEISA-N 0 0 451.759 4.449 50 0 JIAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C[C@H]1C ZINC000020209408 555701901 /nfs/dbraw/zinc/70/19/01/555701901.db2.gz CRFRSPODXHMTGQ-CQSZACIVSA-N 0 0 468.497 4.196 50 0 JIAARN COc1ccc([C@@H](NC(=O)CSc2ccc(S(=O)(=O)N3CCCCCC3)cn2)C(C)C)cc1 ZINC000010400081 555705697 /nfs/dbraw/zinc/70/56/97/555705697.db2.gz JLSNRTPLUGMGLK-DEOSSOPVSA-N 0 0 491.679 4.261 50 0 JIAARN COc1ccc([C@H]2CCCN2C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)c(OC)c1 ZINC000014141781 555707073 /nfs/dbraw/zinc/70/70/73/555707073.db2.gz UCJJWORQNVYNMY-HSZRJFAPSA-N 0 0 455.514 4.380 50 0 JIAARN O=C(Nc1cccc2cccnc21)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000010426190 555707178 /nfs/dbraw/zinc/70/71/78/555707178.db2.gz YYQQSWGPPMDYAE-UHFFFAOYSA-N 0 0 475.526 4.449 50 0 JIAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(Cc3cc(C=O)ccc3OC)c2=O)CCC4)cc1 ZINC000010433636 555707804 /nfs/dbraw/zinc/70/78/04/555707804.db2.gz YDUHHVJIFMOXTP-UHFFFAOYSA-N 0 0 460.555 4.134 50 0 JIAARN CC[C@H](CNC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1CC(C)C)c1ccccc1 ZINC000010438025 555710272 /nfs/dbraw/zinc/71/02/72/555710272.db2.gz HFTYNFPLKXDRAJ-GOSISDBHSA-N 0 0 481.618 4.241 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c1 ZINC000010441790 555711351 /nfs/dbraw/zinc/71/13/51/555711351.db2.gz BVCABIXJKOHKFP-UHFFFAOYSA-N 0 0 464.971 4.334 50 0 JIAARN CCn1cc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)c(C(=O)NCCOC)n1 ZINC000020215270 555711441 /nfs/dbraw/zinc/71/14/41/555711441.db2.gz CKZJUATXRKYVHZ-UHFFFAOYSA-N 0 0 457.534 4.055 50 0 JIAARN Cc1nnc2c(=O)n(CCNc3ncc(C(F)(F)F)cc3Cl)c3ccc(Cl)cc3n12 ZINC000020218972 555713061 /nfs/dbraw/zinc/71/30/61/555713061.db2.gz RZSANSNOPKTWBK-UHFFFAOYSA-N 0 0 457.243 4.185 50 0 JIAARN O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000010447400 555713916 /nfs/dbraw/zinc/71/39/16/555713916.db2.gz FREWSSVQUHOPJM-UHFFFAOYSA-N 0 0 499.951 4.395 50 0 JIAARN CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(-c3ccc(OC)cc3)c2)cc1 ZINC000010515852 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CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COc1ccccc1C(=O)Nc1ccccc1 ZINC000010733133 555736662 /nfs/dbraw/zinc/73/66/62/555736662.db2.gz DPKGYDMUVLPZSE-UHFFFAOYSA-N 0 0 485.462 4.434 50 0 JIAARN O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014230894 555736944 /nfs/dbraw/zinc/73/69/44/555736944.db2.gz VSQWSLIIKHXJMS-OAHLLOKOSA-N 0 0 464.012 4.024 50 0 JIAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCCCSC3CCCCC3)c(C)o2)cc1OC ZINC000020241761 555737284 /nfs/dbraw/zinc/73/72/84/555737284.db2.gz RDFDKMDXHLEKSB-XIFFEERXSA-N 0 0 494.679 4.488 50 0 JIAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn32)c1 ZINC000014231539 555737500 /nfs/dbraw/zinc/73/75/00/555737500.db2.gz HJHXCVHEVGMSPM-OAQYLSRUSA-N 0 0 495.992 4.185 50 0 JIAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)N(Cc2ccco2)Cc2ccccc2)C1=O ZINC000014233121 555738192 /nfs/dbraw/zinc/73/81/92/555738192.db2.gz MGTWVBMGIRPCBG-XMMPIXPASA-N 0 0 496.361 4.038 50 0 JIAARN CC(C)Cn1c(CCC(N)=O)nn(CN2CCc3sccc3[C@@H]2c2ccccc2)c1=S 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CC[C@H](O)CNC(=O)c1cnn(-c2ncc(C)c(-c3ccc(F)cc3)n2)c1-c1cccs1 ZINC000014999879 555844348 /nfs/dbraw/zinc/84/43/48/555844348.db2.gz FSPDTBTYJFHRAY-KRWDZBQOSA-N 0 0 451.527 4.006 50 0 JIAARN COc1ccc(OC)c(-c2nc3cc4c(cc3cc2CN(C(=O)[C@H]2CCCO2)C2CC2)OCO4)c1 ZINC000015000700 555845482 /nfs/dbraw/zinc/84/54/82/555845482.db2.gz DMGMVSGWWKXHSY-HSZRJFAPSA-N 0 0 476.529 4.318 50 0 JIAARN Cc1cc(C)n(Cc2ccc(C(=O)N3CCC4(C[C@H]4C(=O)Nc4ccc5c(c4)OCO5)CC3)cc2)n1 ZINC000011871648 555847226 /nfs/dbraw/zinc/84/72/26/555847226.db2.gz KZHXSBCENWPEQA-QHCPKHFHSA-N 0 0 486.572 4.158 50 0 JIAARN Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)c1ccc(-c3ccc(C)cc3)cc1)CC2 ZINC000015002079 555847297 /nfs/dbraw/zinc/84/72/97/555847297.db2.gz KJEXBGGAGIIUFO-HSZRJFAPSA-N 0 0 458.562 4.254 50 0 JIAARN Cn1c(C2CCC2)nc2cc(C(=O)N3CCC(c4ccncc4)CC3)cc(NC(=O)[C@H]3CCCO3)c21 ZINC000015002801 555847881 /nfs/dbraw/zinc/84/78/81/555847881.db2.gz VFWMVVVHCVVFDA-XMMPIXPASA-N 0 0 487.604 4.373 50 0 JIAARN 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COc1ccc(F)c(C[C@@]2(CCC(=O)N(C)Cc3cccc(-n4nc(C)cc4C)c3)CCC(=O)N2)c1 ZINC000011965462 555871672 /nfs/dbraw/zinc/87/16/72/555871672.db2.gz HTVXGDXXBLKWFI-NDEPHWFRSA-N 0 0 492.595 4.267 50 0 JIAARN CCCCc1c(-c2ccccc2)n(-c2ccc(OCC)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000015081573 555872966 /nfs/dbraw/zinc/87/29/66/555872966.db2.gz KINMTDFTSAWQCP-UHFFFAOYSA-N 0 0 471.561 4.084 50 0 JIAARN COc1ccc(/C=C/C(=O)NC[C@H]2Cc3cc(F)cc(-c4nc(C)cnc4C)c3O2)cc1OC ZINC000011968973 555873039 /nfs/dbraw/zinc/87/30/39/555873039.db2.gz QAOZXDROFKVINC-CPSHHHPTSA-N 0 0 463.509 4.050 50 0 JIAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)Cc3nonc3C)N(Cc3ccc(F)c(F)c3)C2)cc1 ZINC000011969770 555873311 /nfs/dbraw/zinc/87/33/11/555873311.db2.gz TYOILJAWJDTHMO-XXBNENTESA-N 0 0 488.560 4.059 50 0 JIAARN COc1cccc(C[C@@H](C2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)N(C)C(=O)c2ccn(C)n2)c1 ZINC000011972853 555874470 /nfs/dbraw/zinc/87/44/70/555874470.db2.gz PHPCLSUEACYHSA-IDISGSTGSA-N 0 0 488.632 4.154 50 0 JIAARN 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CCOC(=O)Cc1csc(SCC(=O)NC(c2ccc(OC)cc2)c2ccc(OC)cc2)n1 ZINC000012925427 556143667 /nfs/dbraw/zinc/14/36/67/556143667.db2.gz BLEXYZZMZDIJGQ-UHFFFAOYSA-N 0 0 486.615 4.264 50 0 JIAARN COc1ccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)cc1NS(C)(=O)=O ZINC000024679508 556145098 /nfs/dbraw/zinc/14/50/98/556145098.db2.gz KEXDVZCTMKWXLH-UHFFFAOYSA-N 0 0 453.564 4.410 50 0 JIAARN O=C(NCCSc1ccc(Br)cc1)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 ZINC000012926972 556145199 /nfs/dbraw/zinc/14/51/99/556145199.db2.gz WVQCDFFCPQNFJH-RXVVDRJESA-N 0 0 477.449 4.248 50 0 JIAARN O=C(NCCSc1ccc(Br)cc1)[C@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 ZINC000012926974 556145247 /nfs/dbraw/zinc/14/52/47/556145247.db2.gz WVQCDFFCPQNFJH-NQIIRXRSSA-N 0 0 477.449 4.248 50 0 JIAARN CC(C)CN(Cn1nc(-c2ccc(C(C)(C)C)cc2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012927279 556145658 /nfs/dbraw/zinc/14/56/58/556145658.db2.gz BSOKWSZJMTXYAA-LJQANCHMSA-N 0 0 450.674 4.018 50 0 JIAARN CN(Cc1cccc(Cl)c1)C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000024714903 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COc1cccc(C(=O)NCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)c1 ZINC000012950230 556159877 /nfs/dbraw/zinc/15/98/77/556159877.db2.gz WASJTIBTPLEGKF-UHFFFAOYSA-N 0 0 450.347 4.418 50 0 JIAARN O=C(Nc1ccc(F)cc1)[C@H](Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1 ZINC000024843405 556160951 /nfs/dbraw/zinc/16/09/51/556160951.db2.gz HQJKUYVZWBSVBT-HSZRJFAPSA-N 0 0 453.539 4.402 50 0 JIAARN COc1ccc(CCN(C)C(=O)CSc2nc3sccc3c(=O)n2-c2ccccc2)cc1OC ZINC000012972601 556164074 /nfs/dbraw/zinc/16/40/74/556164074.db2.gz MVVZATCAGGZISB-UHFFFAOYSA-N 0 0 495.626 4.258 50 0 JIAARN Cc1ccc(C)c(N2CCN(c3ccc(S(=O)(=O)Cc4ccc(Cl)cc4)nn3)CC2)c1 ZINC000016843719 556165663 /nfs/dbraw/zinc/16/56/63/556165663.db2.gz ADUAUSUIZAIBHL-UHFFFAOYSA-N 0 0 456.999 4.047 50 0 JIAARN CCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)c2ccc(Br)cc2)nc1 ZINC000016843923 556165834 /nfs/dbraw/zinc/16/58/34/556165834.db2.gz USVQPFDRRVJXNP-UHFFFAOYSA-N 0 0 461.337 4.328 50 0 JIAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(-n4cncn4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000024979385 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JGROSNMFHZSQFD-JOCHJYFZSA-N 0 0 490.000 4.337 50 0 JIAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000012976230 556169081 /nfs/dbraw/zinc/16/90/81/556169081.db2.gz WKKPPICWQJTCQU-QGZVFWFLSA-N 0 0 468.541 4.244 50 0 JIAARN COc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(F)cc3)n2)c(OC)c1 ZINC000016846940 556169316 /nfs/dbraw/zinc/16/93/16/556169316.db2.gz FKGDFQOQVFUHDD-UHFFFAOYSA-N 0 0 475.523 4.447 50 0 JIAARN CC(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccccc1 ZINC000012977128 556169972 /nfs/dbraw/zinc/16/99/72/556169972.db2.gz SWUHFBMLCYFGFB-HSZRJFAPSA-N 0 0 486.634 4.152 50 0 JIAARN COc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1OC ZINC000016891240 556172503 /nfs/dbraw/zinc/17/25/03/556172503.db2.gz SPOOUHHTHPEABK-UQBPGWFLSA-N 0 0 465.619 4.447 50 0 JIAARN COc1cc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000016891228 556172638 /nfs/dbraw/zinc/17/26/38/556172638.db2.gz YFNWSCBRLHJMDS-CLOONOSVSA-N 0 0 495.645 4.456 50 0 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COc1ccc(CCn2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCCc5sccc54)C3=O)c2C)cc1 ZINC000013058597 556254167 /nfs/dbraw/zinc/25/41/67/556254167.db2.gz YOYCYMSIYOOKJA-MHZLTWQESA-N 0 0 491.613 4.384 50 0 JIAARN CCOc1c(C)cc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1C ZINC000017306985 556254400 /nfs/dbraw/zinc/25/44/00/556254400.db2.gz FRFATEAYPFRVRV-UHFFFAOYSA-N 0 0 455.584 4.411 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C ZINC000013058892 556254577 /nfs/dbraw/zinc/25/45/77/556254577.db2.gz XIGITBLPZQPCMZ-UHFFFAOYSA-N 0 0 496.029 4.361 50 0 JIAARN CCOc1cc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc(SCC)nn32)ccc1O ZINC000017307175 556254636 /nfs/dbraw/zinc/25/46/36/556254636.db2.gz VTZCWDPHCLQNJS-NRFANRHFSA-N 0 0 481.578 4.431 50 0 JIAARN COc1cc(/C=c2/sc3nc(-c4ccccc4C)nn3c2=O)ccc1OCc1ccccc1 ZINC000026533865 556256397 /nfs/dbraw/zinc/25/63/97/556256397.db2.gz SMMIWPHOGIZDHF-HZHRSRAPSA-N 0 0 455.539 4.262 50 0 JIAARN CCCCCc1nnc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)s1 ZINC000026559212 556256796 /nfs/dbraw/zinc/25/67/96/556256796.db2.gz XZSUCIXDKBDLRC-UHFFFAOYSA-N 0 0 450.611 4.063 50 0 JIAARN CCSc1nc2n(n1)[C@H](c1cc(OC)c(O)c(OC)c1)C(C(=O)Nc1ccccc1C)=C(C)N2 ZINC000017316819 556258426 /nfs/dbraw/zinc/25/84/26/556258426.db2.gz FFIVIFPYBWJJBM-HXUWFJFHSA-N 0 0 481.578 4.349 50 0 JIAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000013063249 556259613 /nfs/dbraw/zinc/25/96/13/556259613.db2.gz GULHOOIFCIBCEC-KRWDZBQOSA-N 0 0 450.564 4.400 50 0 JIAARN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cc2c(s1)-c1ccccc1OC2 ZINC000017360319 556259661 /nfs/dbraw/zinc/25/96/61/556259661.db2.gz PQMNAEQOPIHAAW-UHFFFAOYSA-N 0 0 456.545 4.050 50 0 JIAARN CSCC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)c1nc2ccccc2[nH]1 ZINC000026755807 556260212 /nfs/dbraw/zinc/26/02/12/556260212.db2.gz OWFCPRKNWFADHY-LJQANCHMSA-N 0 0 497.646 4.268 50 0 JIAARN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)c(OC)c1 ZINC000026771885 556261237 /nfs/dbraw/zinc/26/12/37/556261237.db2.gz UWAISZMPTIQGJB-DVZSRJOUSA-N 0 0 465.546 4.341 50 0 biogenic JIAARN CCOC(=O)c1c(NC(=O)COC(=O)c2cc3c(s2)CCCCCC3)oc(C)c1C(C)=O ZINC000017712807 556264158 /nfs/dbraw/zinc/26/41/58/556264158.db2.gz ZZKVFAVTKLJEOO-UHFFFAOYSA-N 0 0 461.536 4.483 50 0 JIAARN NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C(F)(F)F)cc1 ZINC000013068262 556264445 /nfs/dbraw/zinc/26/44/45/556264445.db2.gz GRQRGXWRHFJWKY-UHFFFAOYSA-N 0 0 498.486 4.234 50 0 JIAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1=O ZINC000017725570 556264887 /nfs/dbraw/zinc/26/48/87/556264887.db2.gz RGSQJIZCNZPSKV-MHZLTWQESA-N 0 0 466.497 4.235 50 0 JIAARN CC(=O)c1nn(-c2c(Cl)cccc2Cl)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12 ZINC000017780974 556266600 /nfs/dbraw/zinc/26/66/00/556266600.db2.gz SUIUJKYJRQBLAQ-CRAIPNDOSA-N 0 0 450.709 4.278 50 0 JIAARN Cc1sc2nc(-c3cccnc3)nc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2c1C ZINC000013069822 556266782 /nfs/dbraw/zinc/26/67/82/556266782.db2.gz AYSPKCLYDLCPEI-UHFFFAOYSA-N 0 0 479.631 4.189 50 0 JIAARN CCc1cc2oc(=O)cc(COC(=O)[C@H]3CC(=O)N(c4ccccc4OC)C3)c2cc1Cl ZINC000013069835 556266788 /nfs/dbraw/zinc/26/67/88/556266788.db2.gz NOFUDXPBKNYAQP-HNNXBMFYSA-N 0 0 455.894 4.114 50 0 JIAARN CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)Nc1ccc2ccccc2c1 ZINC000013070247 556267363 /nfs/dbraw/zinc/26/73/63/556267363.db2.gz RBFWHPXYJKFIEY-UHFFFAOYSA-N 0 0 466.607 4.131 50 0 JIAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000017824297 556267697 /nfs/dbraw/zinc/26/76/97/556267697.db2.gz ANCRPZUBOYLDKP-NRFANRHFSA-N 0 0 483.634 4.131 50 0 JIAARN COc1ccc(Cl)cc1C(=O)N1C[C@H](C)N(C(=O)c2cc(Cl)ccc2OC)C[C@H]1C ZINC000017835618 556268096 /nfs/dbraw/zinc/26/80/96/556268096.db2.gz UNKUVBAFSHOIDR-OKILXGFUSA-N 0 0 451.350 4.386 50 0 JIAARN CCOc1cc(/C=C2\N=C(c3ccc(OC(C)C)cc3)OC2=O)cc(Cl)c1OCC(=O)N(C)C ZINC000013070825 556268421 /nfs/dbraw/zinc/26/84/21/556268421.db2.gz CQQQBGNMHLKKNC-NDENLUEZSA-N 0 0 486.952 4.337 50 0 JIAARN CCOc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)cc1OC ZINC000013070827 556268440 /nfs/dbraw/zinc/26/84/40/556268440.db2.gz KILBGOOBMDCWJF-GXDHUFHOSA-N 0 0 488.606 4.319 50 0 JIAARN COc1cc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccccc1Cl ZINC000017852103 556269039 /nfs/dbraw/zinc/26/90/39/556269039.db2.gz DOGGHKPUUZIMTI-HNNXBMFYSA-N 0 0 474.966 4.066 50 0 JIAARN CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccccc1OC ZINC000027019251 556269934 /nfs/dbraw/zinc/26/99/34/556269934.db2.gz ADWAQVYIGFPBMJ-NRFANRHFSA-N 0 0 459.502 4.090 50 0 JIAARN COc1ccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccc(C)c(C)c2)cc1OC ZINC000027019629 556270140 /nfs/dbraw/zinc/27/01/40/556270140.db2.gz ITWSIZMIDIUAML-QFIPXVFZSA-N 0 0 473.529 4.317 50 0 JIAARN CCOc1cc(/C=c2/sc3nc([C@H]4[C@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)ccc1OC(C)=O ZINC000027024161 556271938 /nfs/dbraw/zinc/27/19/38/556271938.db2.gz XTSFQMNVMJMYMO-OJLVUORRSA-N 0 0 494.400 4.081 50 0 JIAARN Cn1c(-c2ccccc2)nn(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1=S ZINC000013072928 556272118 /nfs/dbraw/zinc/27/21/18/556272118.db2.gz KNPBAACJWIITQZ-UHFFFAOYSA-N 0 0 468.936 4.465 50 0 JIAARN CCCCn1c(CCC(=O)Nc2ccc(Cl)cc2F)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000013073209 556272468 /nfs/dbraw/zinc/27/24/68/556272468.db2.gz SSEFPCOUJUBXOQ-UHFFFAOYSA-N 0 0 480.993 4.451 50 0 JIAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000013073480 556273247 /nfs/dbraw/zinc/27/32/47/556273247.db2.gz FZLDNFADLXRLQF-UHFFFAOYSA-N 0 0 465.575 4.069 50 0 JIAARN O=C(NCc1ccc(Cl)cc1Cl)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000013073552 556273477 /nfs/dbraw/zinc/27/34/77/556273477.db2.gz CKCJHIWGCGHUQT-UHFFFAOYSA-N 0 0 452.363 4.405 50 0 JIAARN COCCSc1ccccc1C(=O)Nc1nnc(CCNC(=O)c2ccccc2Cl)s1 ZINC000017971846 556273866 /nfs/dbraw/zinc/27/38/66/556273866.db2.gz LXYMXAGNIXCAPS-UHFFFAOYSA-N 0 0 477.011 4.155 50 0 JIAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)CN(CC)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000013074302 556274825 /nfs/dbraw/zinc/27/48/25/556274825.db2.gz CZOJLVVOBFLIIG-UHFFFAOYSA-N 0 0 491.013 4.399 50 0 JIAARN CC(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000018014692 556276530 /nfs/dbraw/zinc/27/65/30/556276530.db2.gz DNMCCTXZZVBRJY-GTNSWQLSSA-N 0 0 465.349 4.452 50 0 JIAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccccc1OC ZINC000013075484 556276667 /nfs/dbraw/zinc/27/66/67/556276667.db2.gz DNWAHNWHRCQJLD-JKSUJKDBSA-N 0 0 474.558 4.332 50 0 JIAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000027383858 556277762 /nfs/dbraw/zinc/27/77/62/556277762.db2.gz RMKAOFIZAQWAKS-QGZVFWFLSA-N 0 0 481.574 4.277 50 0 JIAARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@@H]21 ZINC000018090042 556286281 /nfs/dbraw/zinc/28/62/81/556286281.db2.gz XJVIMQRMQYEWSQ-XWRIVVANSA-N 0 0 482.330 4.190 50 0 JIAARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000018100552 556287639 /nfs/dbraw/zinc/28/76/39/556287639.db2.gz TVAZPMIFQMFVAP-BDTNDASRSA-N 0 0 450.878 4.105 50 0 JIAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000027527394 556287715 /nfs/dbraw/zinc/28/77/15/556287715.db2.gz FAIWWBPNLQBNGX-IBGZPJMESA-N 0 0 475.339 4.228 50 0 JIAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)c1ccc2c(c1)OCCO2 ZINC000018109319 556288770 /nfs/dbraw/zinc/28/87/70/556288770.db2.gz YLUXVCWFOYKQCP-MRXNPFEDSA-N 0 0 486.977 4.427 50 0 JIAARN COc1ccc(OCCN2CCN(C(=O)COc3ccc(C4SCCCS4)cc3)CC2)cc1 ZINC000018121294 556290760 /nfs/dbraw/zinc/29/07/60/556290760.db2.gz OIUWWVWZKCSPGT-UHFFFAOYSA-N 0 0 488.675 4.166 50 0 JIAARN COc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000027531265 556291698 /nfs/dbraw/zinc/29/16/98/556291698.db2.gz FHTVJFXMXFLYNT-UHFFFAOYSA-N 0 0 465.893 4.127 50 0 JIAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000018155158 556295276 /nfs/dbraw/zinc/29/52/76/556295276.db2.gz WYLDAOKRNGDYHD-UHFFFAOYSA-N 0 0 488.631 4.248 50 0 JIAARN COc1ccc(-c2csc(NC(=O)Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)n2)cc1 ZINC000013097804 556295468 /nfs/dbraw/zinc/29/54/68/556295468.db2.gz ZSBABVULDVQWFJ-UHFFFAOYSA-N 0 0 460.441 4.130 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2ccc(C)cc2)cc1 ZINC000027570244 556298100 /nfs/dbraw/zinc/29/81/00/556298100.db2.gz DTWXYPSDKYUJNQ-UHFFFAOYSA-N 0 0 458.967 4.169 50 0 JIAARN COc1ccc(CCNC(=O)CSc2ccccc2C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000013098931 556298941 /nfs/dbraw/zinc/29/89/41/556298941.db2.gz OCCFWCNBHPANEY-GHTZIAJQSA-N 0 0 470.635 4.463 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 ZINC000013100419 556299561 /nfs/dbraw/zinc/29/95/61/556299561.db2.gz SVWPYAYGQSZVNT-QHCPKHFHSA-N 0 0 480.542 4.151 50 0 JIAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(C)o2)c(C(=O)Nc2ccccc2)n1 ZINC000027582880 556300118 /nfs/dbraw/zinc/30/01/18/556300118.db2.gz XIBDLBZXZROIGE-UHFFFAOYSA-N 0 0 480.546 4.224 50 0 JIAARN COc1ccc2cc([C@@H](C)C(=O)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)ccc2c1 ZINC000013101606 556302075 /nfs/dbraw/zinc/30/20/75/556302075.db2.gz HZIHVCZHAZELTO-OAQYLSRUSA-N 0 0 459.590 4.352 50 0 JIAARN Cc1noc(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1 ZINC000013102155 556303337 /nfs/dbraw/zinc/30/33/37/556303337.db2.gz JERWGOPSPXSKDS-UHFFFAOYSA-N 0 0 491.875 4.386 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000013102404 556303567 /nfs/dbraw/zinc/30/35/67/556303567.db2.gz ZMTPGNNQDWKBPP-APWZRJJASA-N 0 0 458.546 4.287 50 0 JIAARN Cc1ccccc1CS(=O)(=O)c1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1 ZINC000027664579 556303564 /nfs/dbraw/zinc/30/35/64/556303564.db2.gz GUVPDULJBJKCQF-UHFFFAOYSA-N 0 0 472.375 4.145 50 0 JIAARN Cn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000013108045 556304826 /nfs/dbraw/zinc/30/48/26/556304826.db2.gz KPTOKRPEJLHMRX-UHFFFAOYSA-N 0 0 481.530 4.107 50 0 JIAARN O=C(COc1ccc(-n2cnnn2)cc1)Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000027794151 556307447 /nfs/dbraw/zinc/30/74/47/556307447.db2.gz RYDNMVCVBORFQG-UHFFFAOYSA-N 0 0 473.876 4.310 50 0 JIAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2cccc(F)c2)c(C(=O)Nc2ccccc2)n1 ZINC000027794887 556307800 /nfs/dbraw/zinc/30/78/00/556307800.db2.gz MTHASAAWWVQXSQ-UHFFFAOYSA-N 0 0 494.548 4.461 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)CC1 ZINC000018209632 556310403 /nfs/dbraw/zinc/31/04/03/556310403.db2.gz HIBQPYNGDLRURH-YWZLYKJASA-N 0 0 475.471 4.107 50 0 JIAARN C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4sc5c(c4C(=O)NC[C@@H]4CCCO4)CCC5)no3)ccc2O1 ZINC000027995208 556312375 /nfs/dbraw/zinc/31/23/75/556312375.db2.gz UXZZBHLJJQYOJG-PBHICJAKSA-N 0 0 493.585 4.376 50 0 JIAARN COCCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)c1C ZINC000013112343 556313177 /nfs/dbraw/zinc/31/31/77/556313177.db2.gz KZRBSSKUIUCPFU-HXUWFJFHSA-N 0 0 472.586 4.303 50 0 JIAARN COc1ccc([C@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C32SCCS2)N2CCOCC2)cc1 ZINC000018228036 556313157 /nfs/dbraw/zinc/31/31/57/556313157.db2.gz RWOAGMHGORMMBN-VYTWWXLVSA-N 0 0 476.708 4.187 50 0 JIAARN COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c1 ZINC000013112344 556313222 /nfs/dbraw/zinc/31/32/22/556313222.db2.gz KEMBYDUSOGWEJM-SFHVURJKSA-N 0 0 457.527 4.255 50 0 JIAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)OCc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000013112843 556315273 /nfs/dbraw/zinc/31/52/73/556315273.db2.gz IQHYKMJZDFLHEP-UHFFFAOYSA-N 0 0 459.911 4.372 50 0 JIAARN COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000018244908 556315329 /nfs/dbraw/zinc/31/53/29/556315329.db2.gz QKRIWOPFVMXZHB-ROUUACIJSA-N 0 0 487.339 4.193 50 0 JIAARN Cc1ccc(N2C(=O)C[C@H](C(=O)OCc3nc(N)c4ccccc4n3)[C@@H]2c2cccs2)cc1 ZINC000018261732 556317203 /nfs/dbraw/zinc/31/72/03/556317203.db2.gz FZZPZUUITGXPEF-FDDCHVKYSA-N 0 0 458.543 4.420 50 0 JIAARN Nc1nc(COC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)nc2ccccc12 ZINC000018260722 556317254 /nfs/dbraw/zinc/31/72/54/556317254.db2.gz OJTDGCFSHBHLSS-UHFFFAOYSA-N 0 0 464.591 4.358 50 0 JIAARN COc1ccc([C@H](CNC(=O)CSc2nc3nc(C)cc(C)n3n2)c2c[nH]c3ccccc32)cc1 ZINC000018346546 556319813 /nfs/dbraw/zinc/31/98/13/556319813.db2.gz OBQOJXGHAHPWDG-NRFANRHFSA-N 0 0 486.601 4.271 50 0 JIAARN C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000013114975 556321636 /nfs/dbraw/zinc/32/16/36/556321636.db2.gz KZNAFUATYQURFE-INIZCTEOSA-N 0 0 487.423 4.324 50 0 JIAARN C[C@H](Oc1ccccc1F)c1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)o1 ZINC000013115463 556322716 /nfs/dbraw/zinc/32/27/16/556322716.db2.gz JIMAVCYIIZBAAT-KBPBESRZSA-N 0 0 456.499 4.205 50 0 JIAARN Cc1cc(C)cc(O[C@H](C)C(=O)N(Cc2cccc3ccccc32)[C@H]2CCS(=O)(=O)C2)c1 ZINC000028228588 556325990 /nfs/dbraw/zinc/32/59/90/556325990.db2.gz GBCYMCFVJBVENS-OFNKIYASSA-N 0 0 451.588 4.440 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(S(=O)(=O)c1cccc3nsnc31)CC2 ZINC000019078900 556329825 /nfs/dbraw/zinc/32/98/25/556329825.db2.gz ZYSGWJQOUXBFTO-QHCPKHFHSA-N 0 0 467.572 4.045 50 0 JIAARN CCN(CC)C(=O)N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000028294124 556329897 /nfs/dbraw/zinc/32/98/97/556329897.db2.gz 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CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccoc3)sc2=N1 ZINC000032467537 556435998 /nfs/dbraw/zinc/43/59/98/556435998.db2.gz RQPQLJGZRJWITA-WVWKGNOCSA-N 0 0 475.957 4.120 50 0 JIAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000032533246 556444377 /nfs/dbraw/zinc/44/43/77/556444377.db2.gz NAAJHCFIRHTCRZ-SANMLTNESA-N 0 0 496.533 4.401 50 0 JIAARN COc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000032581753 556447055 /nfs/dbraw/zinc/44/70/55/556447055.db2.gz NZDBQSZJZITQPV-GASCZTMLSA-N 0 0 494.997 4.039 50 0 JIAARN COc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000032581755 556447294 /nfs/dbraw/zinc/44/72/94/556447294.db2.gz NZDBQSZJZITQPV-GJZGRUSLSA-N 0 0 494.997 4.039 50 0 JIAARN CC(=O)c1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccccc3C)ncc2Cl)c(C)c1 ZINC000032623732 556453388 /nfs/dbraw/zinc/45/33/88/556453388.db2.gz WVJBKGAICARBRM-UHFFFAOYSA-N 0 0 458.923 4.143 50 0 JIAARN 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ZINC000034921823 569672663 /nfs/dbraw/zinc/67/26/63/569672663.db2.gz YVDUFXFFTGMGDH-UHFFFAOYSA-N 0 0 475.563 4.255 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3ccc(SCc4ccccc4)nn3)CC2)c(OC)c1 ZINC000065314896 569672688 /nfs/dbraw/zinc/67/26/88/569672688.db2.gz VFCKIGNUHMPWHE-UHFFFAOYSA-N 0 0 478.618 4.319 50 0 JIAARN COc1cc(-c2cc(CN(C[C@H]3CCCO3)C(=O)Cc3ccccc3)no2)cc(OC)c1OC ZINC000034922297 569672741 /nfs/dbraw/zinc/67/27/41/569672741.db2.gz XFHAQWCETHOUQL-OAQYLSRUSA-N 0 0 466.534 4.118 50 0 JIAARN Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000065318912 569673235 /nfs/dbraw/zinc/67/32/35/569673235.db2.gz RHIXZTQMMCTTIZ-UHFFFAOYSA-N 0 0 460.943 4.125 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(Cc3ccc(C)cc3)CC2)[C@H]1c1ccccc1 ZINC000034927907 569673172 /nfs/dbraw/zinc/67/31/72/569673172.db2.gz UNTUVIRHLQGZMP-FQLXRVMXSA-N 0 0 497.639 4.267 50 0 JIAARN CCN(CC)c1nc2nc(SCC(=O)NCc3ccc(Cl)cc3)n(C(C)C)c(=O)c2s1 ZINC000065319455 569673976 /nfs/dbraw/zinc/67/39/76/569673976.db2.gz JOTYOOQPBJHAQQ-UHFFFAOYSA-N 0 0 480.059 4.342 50 0 JIAARN Cc1ccc(CNC(=O)CSc2nc3nc(N4CCC(C)CC4)sc3c(=O)n2C(C)C)cc1 ZINC000065319748 569674172 /nfs/dbraw/zinc/67/41/72/569674172.db2.gz WKCZLGHOGWIWPX-UHFFFAOYSA-N 0 0 485.679 4.387 50 0 JIAARN CCCn1c(=O)c2sc(N3CCC(C)CC3)nc2nc1SCC(=O)Nc1ccccc1F ZINC000065319658 569674207 /nfs/dbraw/zinc/67/42/07/569674207.db2.gz YZGFHRNATOHTSP-UHFFFAOYSA-N 0 0 475.615 4.369 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3nc(N4CCC(C)CC4)sc3c(=O)n2C(C)C)cc1 ZINC000065319728 569674222 /nfs/dbraw/zinc/67/42/22/569674222.db2.gz HTNMMIHJDMELTI-UHFFFAOYSA-N 0 0 487.651 4.410 50 0 JIAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nnc(-c4ccncc4)n3CC(F)(F)F)ccc21 ZINC000065562857 569675987 /nfs/dbraw/zinc/67/59/87/569675987.db2.gz NTEOXPPKPIMHHC-CYBMUJFWSA-N 0 0 475.496 4.175 50 0 JIAARN Cn1c2c(c(-c3ccc(F)cc3)n3c2[C@@H](c2ccc(F)cc2)Oc2ccccc2-3)c(=O)n(C)c1=O ZINC000035178593 569677493 /nfs/dbraw/zinc/67/74/93/569677493.db2.gz ZWYZAWWROMMEGN-RUZDIDTESA-N 0 0 471.463 4.455 50 0 JIAARN Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)c3ccc(Br)s3)c2=O)cc1 ZINC000067206511 569678120 /nfs/dbraw/zinc/67/81/20/569678120.db2.gz DVXZOBZRATWBGN-UHFFFAOYSA-N 0 0 475.389 4.288 50 0 JIAARN Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(-c4ccc(Cl)s4)nc4ccccc43)CC2)no1 ZINC000035292545 569679709 /nfs/dbraw/zinc/67/97/09/569679709.db2.gz IRERTRGYEYREGT-UHFFFAOYSA-N 0 0 495.992 4.310 50 0 JIAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)cc3Br)c2=O)c1 ZINC000067217898 569679804 /nfs/dbraw/zinc/67/98/04/569679804.db2.gz RRAYZZITNQHRDD-UHFFFAOYSA-N 0 0 484.375 4.232 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C)c3C)c2=O)cc1Cl ZINC000067218327 569680131 /nfs/dbraw/zinc/68/01/31/569680131.db2.gz JKSPFJQVDMIJGA-UHFFFAOYSA-N 0 0 453.951 4.431 50 0 JIAARN Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(C(F)(F)F)c3)c2=O)ccc1F ZINC000067218755 569680352 /nfs/dbraw/zinc/68/03/52/569680352.db2.gz VXAYNHIXCHUKTO-UHFFFAOYSA-N 0 0 477.439 4.319 50 0 JIAARN Cc1cc(C)c(NC(=O)Cn2nc3cc(C)nc(-c4ccc(C(F)(F)F)cc4)n3c2=O)c(C)c1 ZINC000067226447 569681124 /nfs/dbraw/zinc/68/11/24/569681124.db2.gz JJPJUWRYCGSGOS-UHFFFAOYSA-N 0 0 469.467 4.449 50 0 JIAARN CCN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)C[C@H]1CSCN12 ZINC000035340174 569681320 /nfs/dbraw/zinc/68/13/20/569681320.db2.gz VIASYBGSEFVFLU-VPKVUBIPSA-N 0 0 477.508 4.181 50 0 biogenic JIAARN Cc1cc2nc(SCC(=O)NCCCc3ccccc3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067237462 569681571 /nfs/dbraw/zinc/68/15/71/569681571.db2.gz NBXJECUXWZKNSJ-UHFFFAOYSA-N 0 0 450.539 4.002 50 0 JIAARN CCOc1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccc(F)cc1 ZINC000067237384 569681606 /nfs/dbraw/zinc/68/16/06/569681606.db2.gz LPYLNKULEFHHHT-UHFFFAOYSA-N 0 0 452.511 4.291 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1ccc(N3CCCC3=O)cc1)CC2 ZINC000035354758 569681946 /nfs/dbraw/zinc/68/19/46/569681946.db2.gz YDGIQDHELIPFKJ-MHZLTWQESA-N 0 0 491.613 4.478 50 0 JIAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4cc(F)ccc4Cl)nc23)c(C)c1 ZINC000067255706 569682236 /nfs/dbraw/zinc/68/22/36/569682236.db2.gz XWNLLJMDOGQPNQ-UHFFFAOYSA-N 0 0 457.918 4.090 50 0 JIAARN O=C1Nc2ccccc2[C@]12N[C@@H](Cc1ccccc1)[C@@]1(C(=O)Nc3ccccc31)C2=C(O)c1ccccc1 ZINC000035363855 569682676 /nfs/dbraw/zinc/68/26/76/569682676.db2.gz CHSJOVNHEAYSQX-PNQKXDKOSA-N 0 0 499.570 4.438 50 0 biogenic JIAARN COc1cccc(-n2nnc(C(=O)NCc3ccccc3C(F)(F)F)c2-c2ccncc2)c1 ZINC000067261774 569682943 /nfs/dbraw/zinc/68/29/43/569682943.db2.gz HEUYDECCTOROMQ-UHFFFAOYSA-N 0 0 453.424 4.287 50 0 JIAARN Cc1ccc(N2CCN(C(=O)CCn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)CC2)c(C)c1 ZINC000067262272 569682948 /nfs/dbraw/zinc/68/29/48/569682948.db2.gz SYLRVQAEFPVTNR-UHFFFAOYSA-N 0 0 483.616 4.136 50 0 JIAARN O=C(NC[C@@H]1CCCO1)c1ccc(CN2c3cc(-c4cccc(Cl)c4)nn3CCC2=O)cc1 ZINC000035373781 569683790 /nfs/dbraw/zinc/68/37/90/569683790.db2.gz CMEDUTNBGJGVOT-NRFANRHFSA-N 0 0 464.953 4.049 50 0 JIAARN CCOc1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(OC)cc4OC)CC3)n2)cc1OC ZINC000035375077 569684368 /nfs/dbraw/zinc/68/43/68/569684368.db2.gz GBTVWKHXYPOYTJ-UHFFFAOYSA-N 0 0 482.537 4.016 50 0 JIAARN O=C(Cn1cc(-c2nc(-c3cccc(Br)c3)no2)ccc1=O)NCCC1=CCCCC1 ZINC000067289048 569684905 /nfs/dbraw/zinc/68/49/05/569684905.db2.gz QZZMUVSDRMMQAZ-UHFFFAOYSA-N 0 0 483.366 4.335 50 0 JIAARN COc1ccc(C)cc1NC(=O)Cn1cc(-c2nc(-c3cccc(Br)c3)no2)ccc1=O ZINC000067289152 569685030 /nfs/dbraw/zinc/68/50/30/569685030.db2.gz WUGGGOHJWQSUOF-UHFFFAOYSA-N 0 0 495.333 4.284 50 0 JIAARN Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccc(Br)cc4)c3)n2)c1 ZINC000067289519 569685097 /nfs/dbraw/zinc/68/50/97/569685097.db2.gz VWEVPPRLTMOZLX-UHFFFAOYSA-N 0 0 465.307 4.275 50 0 JIAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CCc2ccccc2)c1=O)NCc1ccccc1Cl ZINC000067291948 569685799 /nfs/dbraw/zinc/68/57/99/569685799.db2.gz ZMDARCOGHQGMIH-UHFFFAOYSA-N 0 0 487.943 4.122 50 0 JIAARN Cc1cc2nc(COc3cc(Cl)ccc3NC(=O)COc3cc(C)cc(C)c3)cc(=O)n2o1 ZINC000035378636 569685978 /nfs/dbraw/zinc/68/59/78/569685978.db2.gz DVEQFVHKAJARGU-UHFFFAOYSA-N 0 0 467.909 4.463 50 0 JIAARN Cc1cccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(C(F)(F)F)cc2)c1C ZINC000067301359 569686635 /nfs/dbraw/zinc/68/66/35/569686635.db2.gz ILMDAYMXCIFCGC-UHFFFAOYSA-N 0 0 459.468 4.028 50 0 JIAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)Nc2ccc(Cl)cc2)c(=O)c1CCO ZINC000067301301 569686662 /nfs/dbraw/zinc/68/66/62/569686662.db2.gz XUHRDJDQUHCNOQ-UHFFFAOYSA-N 0 0 465.859 4.064 50 0 JIAARN Cc1ccc(NC(=O)Cn2c(=O)cc(-c3nc(-c4cccnc4)no3)c3ccccc32)c(C)c1 ZINC000067318342 569686977 /nfs/dbraw/zinc/68/69/77/569686977.db2.gz NEGIBQBRLMWQAA-UHFFFAOYSA-N 0 0 451.486 4.369 50 0 JIAARN C[C@@H](NC(=O)Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21)c1ccc(F)cc1 ZINC000067318276 569687008 /nfs/dbraw/zinc/68/70/08/569687008.db2.gz FVWDOHOUOWAGQF-MRXNPFEDSA-N 0 0 469.476 4.130 50 0 JIAARN O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)N1CCCc2ccccc21 ZINC000067318500 569687100 /nfs/dbraw/zinc/68/71/00/569687100.db2.gz WWNAGUZUBIUWBB-UHFFFAOYSA-N 0 0 463.497 4.093 50 0 JIAARN Cc1ccc(NC(=O)Cn2c(=O)cc(-c3nc(-c4ccccn4)no3)c3ccccc32)c(F)c1 ZINC000067318548 569687107 /nfs/dbraw/zinc/68/71/07/569687107.db2.gz WPAHUVBJYGACEW-UHFFFAOYSA-N 0 0 455.449 4.200 50 0 JIAARN Cc1cc2nc(SCC(=O)NCc3cccc(Cl)c3)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067319556 569687220 /nfs/dbraw/zinc/68/72/20/569687220.db2.gz FZNAJQRKCNSFMI-UHFFFAOYSA-N 0 0 452.967 4.393 50 0 JIAARN O=c1[nH]c2cc(-c3nc(-c4ccc(Br)cc4)no3)ccc2c(=O)n1Cc1ccccc1 ZINC000067341549 569688486 /nfs/dbraw/zinc/68/84/86/569688486.db2.gz XESMWRAWDNLWFM-UHFFFAOYSA-N 0 0 475.302 4.218 50 0 JIAARN CCOC(=O)c1c(NC(=O)Nc2ccc(OC)cc2OC)sc2c1CCN(C(=O)OCC)C2 ZINC000067341789 569688508 /nfs/dbraw/zinc/68/85/08/569688508.db2.gz ZZCMWPZCKCZAGU-UHFFFAOYSA-N 0 0 477.539 4.101 50 0 JIAARN Cc1ccc(CNC(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)cc1 ZINC000035399779 569690216 /nfs/dbraw/zinc/69/02/16/569690216.db2.gz FOGQALSBZYSKLH-UHFFFAOYSA-N 0 0 454.505 4.163 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1 ZINC000067689786 569690287 /nfs/dbraw/zinc/69/02/87/569690287.db2.gz ZFJXLVPDOVSTPX-UHFFFAOYSA-N 0 0 479.583 4.414 50 0 JIAARN CC(C)CCNC(=O)Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3Cl)c(=O)c21 ZINC000035399916 569690334 /nfs/dbraw/zinc/69/03/34/569690334.db2.gz DDOLGUHLLOQPIX-UHFFFAOYSA-N 0 0 454.933 4.354 50 0 JIAARN COc1ccccc1Cn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2ccsc2c1=O ZINC000067689836 569690362 /nfs/dbraw/zinc/69/03/62/569690362.db2.gz KUPHWWOLDSAQLY-UHFFFAOYSA-N 0 0 494.598 4.204 50 0 JIAARN COc1ccccc1Cn1c(=O)c2sccc2nc1SCC(=O)N[C@@H]1CCc2ccccc21 ZINC000067689844 569690379 /nfs/dbraw/zinc/69/03/79/569690379.db2.gz VZYDEELOKSOYAE-LJQANCHMSA-N 0 0 477.611 4.411 50 0 JIAARN COc1ccccc1Cn1c(=O)c2sccc2nc1SCC(=O)N1CCOc2ccc(C)cc21 ZINC000067689824 569690392 /nfs/dbraw/zinc/69/03/92/569690392.db2.gz JRGCIWDTSAAXKF-UHFFFAOYSA-N 0 0 493.610 4.341 50 0 JIAARN COc1ccccc1Cn1c(=O)c2sccc2nc1SCC(=O)N[C@H]1CCc2ccccc21 ZINC000067689845 569690395 /nfs/dbraw/zinc/69/03/95/569690395.db2.gz VZYDEELOKSOYAE-IBGZPJMESA-N 0 0 477.611 4.411 50 0 JIAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2CC(=O)NCCCc1ccccc1 ZINC000035399969 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569726994 /nfs/dbraw/zinc/72/69/94/569726994.db2.gz UHOMEJCXFQNOOM-UHFFFAOYSA-N 0 0 477.634 4.493 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCCC4)n3c2=O)nn1-c1cccc(C)c1C ZINC000035912010 569727113 /nfs/dbraw/zinc/72/71/13/569727113.db2.gz ADHXEVFRKAILCR-UHFFFAOYSA-N 0 0 461.591 4.007 50 0 JIAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccc(OC)cc1 ZINC000095549641 569727471 /nfs/dbraw/zinc/72/74/71/569727471.db2.gz ZEFWRXLXISGVBH-UHFFFAOYSA-N 0 0 474.605 4.194 50 0 JIAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3cccc(OC)c3)CC2)n1 ZINC000035912767 569727765 /nfs/dbraw/zinc/72/77/65/569727765.db2.gz IXNFPIAYQSPYIT-UHFFFAOYSA-N 0 0 484.604 4.438 50 0 JIAARN CCOc1cccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(CCCc3ccccc3)c4=O)n2)c1 ZINC000095613888 569728281 /nfs/dbraw/zinc/72/82/81/569728281.db2.gz PPWYYJSVRDBPEY-UHFFFAOYSA-N 0 0 468.513 4.438 50 0 JIAARN Cc1ccc(C(=O)N2CCN(c3nc(CC(C)C)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035925452 569728715 /nfs/dbraw/zinc/72/87/15/569728715.db2.gz 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CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)NCc2ccc(Br)cc2)C1=O ZINC000095929411 569730584 /nfs/dbraw/zinc/73/05/84/569730584.db2.gz FLPTZACUEQHWDO-QFIPXVFZSA-N 0 0 477.362 4.088 50 0 JIAARN COc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccco3)=NN2S(C)(=O)=O)c1 ZINC000095945118 569730764 /nfs/dbraw/zinc/73/07/64/569730764.db2.gz QXZGSHJRLWCMJH-JOCHJYFZSA-N 0 0 462.531 4.252 50 0 JIAARN O=S(=O)(c1ccc2[nH]c(CSc3cc(Cl)ccc3Cl)nc2c1)N1CCOCC1 ZINC000095947768 569731175 /nfs/dbraw/zinc/73/11/75/569731175.db2.gz OOWGGIWYTKBKOS-UHFFFAOYSA-N 0 0 458.392 4.183 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1F)C(=O)CC(C)(C)C ZINC000035946745 569733940 /nfs/dbraw/zinc/73/39/40/569733940.db2.gz YXLTWNNBYVVQQH-HXUWFJFHSA-N 0 0 459.587 4.476 50 0 JIAARN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@H](c1ccc3nccnc3c1)CC(=O)O2 ZINC000096114880 569734131 /nfs/dbraw/zinc/73/41/31/569734131.db2.gz DGQBRJSDITYMOR-INIZCTEOSA-N 0 0 452.422 4.255 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1F)C(=O)NC(C)(C)C 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/nfs/dbraw/zinc/73/64/04/569736404.db2.gz ISKMXVIUQKOQDX-HSZRJFAPSA-N 0 0 451.567 4.276 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccco3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000035960485 569736418 /nfs/dbraw/zinc/73/64/18/569736418.db2.gz QEWQTDNQBUQSJG-NRFANRHFSA-N 0 0 451.910 4.392 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)NC(C)(C)C)[C@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000035960639 569736474 /nfs/dbraw/zinc/73/64/74/569736474.db2.gz KSRXIALKPKTNRR-QFIPXVFZSA-N 0 0 466.582 4.130 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000035961131 569736822 /nfs/dbraw/zinc/73/68/22/569736822.db2.gz NWEZQMVRSLXJGJ-XMMPIXPASA-N 0 0 475.520 4.293 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccco1)C(=O)NC(C)(C)C ZINC000035961305 569736985 /nfs/dbraw/zinc/73/69/85/569736985.db2.gz SUTNWBZUOOQSRQ-OAQYLSRUSA-N 0 0 454.571 4.031 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccco1)C(=O)NC(C)(C)C ZINC000035961304 569736988 /nfs/dbraw/zinc/73/69/88/569736988.db2.gz SUTNWBZUOOQSRQ-NRFANRHFSA-N 0 0 454.571 4.031 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)c2cccs2)cc1 ZINC000035961471 569737083 /nfs/dbraw/zinc/73/70/83/569737083.db2.gz JXWPGJPSRSIOOM-OAQYLSRUSA-N 0 0 451.523 4.346 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000035961623 569737124 /nfs/dbraw/zinc/73/71/24/569737124.db2.gz POVPUWZIYYKFPA-RUZDIDTESA-N 0 0 477.511 4.431 50 0 JIAARN COc1ccc([C@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN(C)C(=O)c2ccccc2F)cc1 ZINC000035961984 569737329 /nfs/dbraw/zinc/73/73/29/569737329.db2.gz KHNKDWZFRAXPSM-RUZDIDTESA-N 0 0 475.520 4.293 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@H](c3ccc(F)cc3)C2)c1 ZINC000035962309 569737646 /nfs/dbraw/zinc/73/76/46/569737646.db2.gz YGBABJJBWBGLPU-DEOSSOPVSA-N 0 0 463.484 4.423 50 0 JIAARN CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)Nc3ccc(F)cc3)C2)[C@@H](c2ccccc2)NC1=O ZINC000035964306 569738153 /nfs/dbraw/zinc/73/81/53/569738153.db2.gz RFVUVMHJQFZIDK-NZQKXSOJSA-N 0 0 464.541 4.062 50 0 JIAARN CCN1C2=C(C(=O)N([C@@H](C(=O)NCC(C)C)c3ccccc3)C2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000035964889 569738317 /nfs/dbraw/zinc/73/83/17/569738317.db2.gz XOWXIXHHODDMDR-DHIUTWEWSA-N 0 0 480.996 4.036 50 0 JIAARN O=C1C[C@H](c2cc3cccc4c3n(c2=O)CC4)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096221373 569738749 /nfs/dbraw/zinc/73/87/49/569738749.db2.gz BBAYCZGQWIATQZ-HXUWFJFHSA-N 0 0 477.472 4.478 50 0 biogenic JIAARN CC(C)CNC(=O)[C@@H](C(C)C)N1CC2=C(C1=O)[C@H](c1cccc(Oc3ccccc3)c1)NC(=O)N2C ZINC000035968364 569738932 /nfs/dbraw/zinc/73/89/32/569738932.db2.gz QITKXGZEXGMGNY-LOSJGSFVSA-N 0 0 490.604 4.068 50 0 JIAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C(=O)NC(C)C ZINC000035980828 569742572 /nfs/dbraw/zinc/74/25/72/569742572.db2.gz INJOOKBRSOKFII-UHFFFAOYSA-N 0 0 452.555 4.454 50 0 JIAARN Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc(C)n2)cc1 ZINC000096646348 569742694 /nfs/dbraw/zinc/74/26/94/569742694.db2.gz SNFXWSANNHCHSY-UHFFFAOYSA-N 0 0 457.987 4.001 50 0 JIAARN CS(=O)(=O)Nc1ccc(/C=C\C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC000096812679 569743196 /nfs/dbraw/zinc/74/31/96/569743196.db2.gz KUXXAZRBUTZRTC-SXGWCWSVSA-N 0 0 450.520 4.354 50 0 JIAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000096905389 569743541 /nfs/dbraw/zinc/74/35/41/569743541.db2.gz GGFNWONEDKYATN-KRWDZBQOSA-N 0 0 489.567 4.238 50 0 JIAARN CCc1nn(-c2ccc(OC)cc2)c2sc(C(=O)NCCCNC(=O)c3ccc(OC)cc3)cc12 ZINC000035989102 569743822 /nfs/dbraw/zinc/74/38/22/569743822.db2.gz OUVXBFGKGRJKNX-UHFFFAOYSA-N 0 0 492.601 4.217 50 0 JIAARN CCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000035990304 569744101 /nfs/dbraw/zinc/74/41/01/569744101.db2.gz FLTHTKJTWVGUDQ-UHFFFAOYSA-N 0 0 478.959 4.441 50 0 JIAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CC(C)C)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000035992543 569745017 /nfs/dbraw/zinc/74/50/17/569745017.db2.gz JYSZCTNVLJDIHH-UHFFFAOYSA-N 0 0 476.621 4.178 50 0 JIAARN CC(C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 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CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000101034647 569780137 /nfs/dbraw/zinc/78/01/37/569780137.db2.gz PPAQNPAUHBDQFS-FICKONGGSA-N 0 0 492.531 4.319 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)s1 ZINC000037162995 569781599 /nfs/dbraw/zinc/78/15/99/569781599.db2.gz WQJKNIDNUGIAAI-HXUWFJFHSA-N 0 0 473.645 4.231 50 0 JIAARN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)c(OC)c1 ZINC000037243117 569781878 /nfs/dbraw/zinc/78/18/78/569781878.db2.gz UWAISZMPTIQGJB-QRLWHIHSSA-N 0 0 465.546 4.341 50 0 biogenic JIAARN COc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000037276928 569782284 /nfs/dbraw/zinc/78/22/84/569782284.db2.gz VQPODXBTFOTGIZ-UHFFFAOYSA-N 0 0 485.628 4.386 50 0 biogenic JIAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)c3cccc(OC)c3)CC2)n1 ZINC000037377454 569784440 /nfs/dbraw/zinc/78/44/40/569784440.db2.gz VELXSKOHNPCGMC-UHFFFAOYSA-N 0 0 488.567 4.187 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)CC(C)(C)C)CC2)n1 ZINC000037377429 569784443 /nfs/dbraw/zinc/78/44/43/569784443.db2.gz FAOWNAFBYLZBQH-UHFFFAOYSA-N 0 0 452.578 4.300 50 0 JIAARN CCOC(=O)C1CCN(c2nc3nn(-c4cc(F)ccc4F)c(N)c3c(-c3cccc(F)c3)n2)CC1 ZINC000037377585 569784531 /nfs/dbraw/zinc/78/45/31/569784531.db2.gz WYGRVRJJKMDMMK-UHFFFAOYSA-N 0 0 496.493 4.262 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1 ZINC000037378884 569784567 /nfs/dbraw/zinc/78/45/67/569784567.db2.gz KFIOXPNJHDGWNB-UHFFFAOYSA-N 0 0 472.568 4.486 50 0 JIAARN CCNC(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2c(C)nn3-c2ccc(F)cc2)CC1 ZINC000037378168 569784614 /nfs/dbraw/zinc/78/46/14/569784614.db2.gz UTBCJYQSMVQLAW-UHFFFAOYSA-N 0 0 487.583 4.095 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)C(C)(C)C)CC2)n1 ZINC000037378910 569784641 /nfs/dbraw/zinc/78/46/41/569784641.db2.gz ISAOXGUFOXMNFG-UHFFFAOYSA-N 0 0 452.578 4.300 50 0 JIAARN CCCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)C3CC3)CC2)n1 ZINC000037378085 569784643 /nfs/dbraw/zinc/78/46/43/569784643.db2.gz LBCJOJMIOPPDJK-UHFFFAOYSA-N 0 0 450.562 4.054 50 0 JIAARN COc1ccc(CCN(CCc2nc(-c3ccc(Cl)cc3)no2)C(=O)C2CC2)cc1OC ZINC000037382662 569785277 /nfs/dbraw/zinc/78/52/77/569785277.db2.gz JDRSFLOJZCMUBA-UHFFFAOYSA-N 0 0 455.942 4.431 50 0 JIAARN COc1cc(OC)c([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)cc1OC ZINC000101243984 569787947 /nfs/dbraw/zinc/78/79/47/569787947.db2.gz XDQFJJPVPZJBNG-NXCFDTQHSA-N 0 0 488.540 4.380 50 0 JIAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(Cc3ccco3)C(=O)c3ccco3)c2)cc1 ZINC000037400495 569788137 /nfs/dbraw/zinc/78/81/37/569788137.db2.gz SPIVGTOIRXKLFA-UHFFFAOYSA-N 0 0 467.499 4.492 50 0 JIAARN CC[C@@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(=O)NC(C)C ZINC000037400786 569788253 /nfs/dbraw/zinc/78/82/53/569788253.db2.gz CRKSJDOSCQGASY-QGZVFWFLSA-N 0 0 491.610 4.140 50 0 JIAARN COc1ccc(NC(=O)[C@@H](C)n2c3cc(Cl)ccc3c(=O)n(-c3ccccc3OC)c2=O)cc1 ZINC000037403534 569788507 /nfs/dbraw/zinc/78/85/07/569788507.db2.gz DEFFRRYUBRPMBE-OAHLLOKOSA-N 0 0 479.920 4.023 50 0 JIAARN Cn1nc(C(C)(C)C)c2c1N(CC(=O)NCc1ccco1)C(=O)CS[C@H]2c1ccc(F)cc1F ZINC000037425154 569788900 /nfs/dbraw/zinc/78/89/00/569788900.db2.gz ZDOOMINTBWNZFC-NRFANRHFSA-N 0 0 488.560 4.074 50 0 JIAARN CC[C@H](C)NC(=O)CCN(Cc1ccco1)C(=O)c1csc(Nc2ccc(OC)cc2)n1 ZINC000037425741 569789021 /nfs/dbraw/zinc/78/90/21/569789021.db2.gz CWMXRYDQYCKNAL-INIZCTEOSA-N 0 0 456.568 4.436 50 0 JIAARN COc1ccccc1Nc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccco2)cs1 ZINC000037435743 569789866 /nfs/dbraw/zinc/78/98/66/569789866.db2.gz HKQJEJLPXCLCBT-FQEVSTJZSA-N 0 0 476.558 4.146 50 0 JIAARN O=C(NC[C@H]1CCCO1)[C@H]1CCCN(C(=O)c2csc(Nc3cccc(Cl)c3Cl)n2)C1 ZINC000037435639 569789918 /nfs/dbraw/zinc/78/99/18/569789918.db2.gz NXNPKTZYPIWTLD-UONOGXRCSA-N 0 0 483.421 4.341 50 0 JIAARN Cc1s/c(=N\C(=O)c2cccc(C)c2)n(Cc2ccc(C(=O)NCc3ccncc3)o2)c1C ZINC000037428433 569789980 /nfs/dbraw/zinc/78/99/80/569789980.db2.gz PGJWFUVBMQFVFN-FVDSYPCUSA-N 0 0 460.559 4.182 50 0 JIAARN CC[C@@H]1S[C@@H](c2ccc(C(C)(C)C)cc2)N(CCN2CCN(C(=O)NC(C)(C)C)CC2)C1=O ZINC000037438209 569790297 /nfs/dbraw/zinc/79/02/97/569790297.db2.gz UMFVDIMPBGREEL-GMAHTHKFSA-N 0 0 474.715 4.462 50 0 JIAARN CC(C)NC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4ccccc4Cl)cc32)o1 ZINC000037510949 569791378 /nfs/dbraw/zinc/79/13/78/569791378.db2.gz KLPBTTCKTSWGHU-UHFFFAOYSA-N 0 0 482.920 4.259 50 0 JIAARN O=C(COc1cccc(Cl)c1)c1ccc2c(c1)N(Cc1ccc(C(=O)NC3CC3)o1)C(=O)CO2 ZINC000037511221 569791482 /nfs/dbraw/zinc/79/14/82/569791482.db2.gz WLNDLOOZTPVCJB-UHFFFAOYSA-N 0 0 480.904 4.013 50 0 JIAARN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1C(=O)COc2ccc(C(=O)COc3ccc(F)c(F)c3)cc21 ZINC000037511454 569791545 /nfs/dbraw/zinc/79/15/45/569791545.db2.gz LWIUCUGOTIXVLJ-DLBZAZTESA-N 0 0 494.494 4.218 50 0 JIAARN CCN(C)C(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4cc(C)ccc4C)cc32)o1 ZINC000037511529 569791701 /nfs/dbraw/zinc/79/17/01/569791701.db2.gz CIILWLQSHSCMJX-UHFFFAOYSA-N 0 0 476.529 4.176 50 0 JIAARN CC[C@H](C)NC(=O)c1coc(CN2C(=O)COc3ccc(C(=O)COc4ccc(C)c(C)c4)cc32)n1 ZINC000037511804 569791744 /nfs/dbraw/zinc/79/17/44/569791744.db2.gz VQFWKYRKEPDOTB-SFHVURJKSA-N 0 0 491.544 4.007 50 0 JIAARN O=C(NC[C@H]1CCCO1)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000037524539 569793111 /nfs/dbraw/zinc/79/31/11/569793111.db2.gz VLOIMQMJHXQVAS-GOSISDBHSA-N 0 0 476.404 4.301 50 0 JIAARN Cc1ccccc1N1CCN(C(=O)c2ccccc2N2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC000037524559 569793128 /nfs/dbraw/zinc/79/31/28/569793128.db2.gz AMNVKHQNNBLEII-UHFFFAOYSA-N 0 0 474.649 4.233 50 0 JIAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(=O)c3cccc(F)c3)CC2)cc1 ZINC000037524566 569793209 /nfs/dbraw/zinc/79/32/09/569793209.db2.gz UROPZFWGGHVIBG-UHFFFAOYSA-N 0 0 475.564 4.206 50 0 JIAARN O=C(NC1CCN(c2ccccc2C(=O)N2CCCC2)CC1)c1cccc(Br)c1 ZINC000037524852 569793254 /nfs/dbraw/zinc/79/32/54/569793254.db2.gz MULWDIHZXPJBQP-UHFFFAOYSA-N 0 0 456.384 4.084 50 0 JIAARN CN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000037525429 569793524 /nfs/dbraw/zinc/79/35/24/569793524.db2.gz HPLTYTXNQZIOPC-UHFFFAOYSA-N 0 0 481.593 4.045 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2cc(OC)cc(OC)c2)C1 ZINC000037526214 569793699 /nfs/dbraw/zinc/79/36/99/569793699.db2.gz YPELNDNPJVIGPL-GOSISDBHSA-N 0 0 470.591 4.492 50 0 JIAARN COc1ccccc1Oc1c(CCC(=O)NC[C@H]2CCCO2)c(C)nn1-c1ccc(F)cc1 ZINC000037547152 569794495 /nfs/dbraw/zinc/79/44/95/569794495.db2.gz WSCFIRHXPUWPOZ-HXUWFJFHSA-N 0 0 453.514 4.349 50 0 JIAARN O=C(c1ccccc1)N1CCN(c2nc3ccccc3c3nnc(-c4ccccc4F)n32)CC1 ZINC000037554620 569794790 /nfs/dbraw/zinc/79/47/90/569794790.db2.gz YMVTZGMLSNBHEU-UHFFFAOYSA-N 0 0 452.493 4.046 50 0 JIAARN O=C(c1cccc(F)c1)N1CCN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CC1 ZINC000037554631 569794870 /nfs/dbraw/zinc/79/48/70/569794870.db2.gz JFCVYGQEAXHLBD-UHFFFAOYSA-N 0 0 458.522 4.108 50 0 JIAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)C(C)(C)C)CC2)C(=O)NCCOC ZINC000037602888 569797709 /nfs/dbraw/zinc/79/77/09/569797709.db2.gz BYMKZDOPLDGGJE-RPWUZVMVSA-N 0 0 470.585 4.266 50 0 JIAARN CCNC(=O)c1coc(COc2ccc3c(c2)[C@@H](c2ccc(C)cc2)N(C(=O)C2CC2)CC3)n1 ZINC000037605168 569798654 /nfs/dbraw/zinc/79/86/54/569798654.db2.gz BKHFZRLGBIASMO-RUZDIDTESA-N 0 0 459.546 4.196 50 0 JIAARN CC(C)CN(C[C@@H]1CN(C(=O)Cc2cccs2)CCO1)C(=O)c1cccc2ccccc21 ZINC000037609862 569799140 /nfs/dbraw/zinc/79/91/40/569799140.db2.gz HWMGLYNYXFHFFM-NRFANRHFSA-N 0 0 450.604 4.470 50 0 JIAARN COc1cccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)n2)c1 ZINC000037695468 569799487 /nfs/dbraw/zinc/79/94/87/569799487.db2.gz VDPBZVLFCPFUQK-UHFFFAOYSA-N 0 0 478.368 4.076 50 0 JIAARN O=C(NCCn1ncc2c1ncnc2NCc1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000038484613 569801377 /nfs/dbraw/zinc/80/13/77/569801377.db2.gz CUESAXSXSZRITQ-UHFFFAOYSA-N 0 0 458.419 4.026 50 0 JIAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000101628233 569801917 /nfs/dbraw/zinc/80/19/17/569801917.db2.gz PTXKOXZICLGKGF-IRXDYDNUSA-N 0 0 464.946 4.264 50 0 JIAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2OC)N2C(CC(=O)N3CCC(C)CC3)=CSC2=N1 ZINC000101710564 569803192 /nfs/dbraw/zinc/80/31/92/569803192.db2.gz QJQPVRKJCYJCCD-HSZRJFAPSA-N 0 0 469.607 4.482 50 0 JIAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)N2C(CC(=O)N3CCOCC3)=CSC2=N1 ZINC000101711825 569803203 /nfs/dbraw/zinc/80/32/03/569803203.db2.gz YVWQWUVTXOGBPV-NRFANRHFSA-N 0 0 475.998 4.115 50 0 JIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCC[C@@H]3C)N2[C@@H]1c1ccc(OC)cc1 ZINC000101710466 569803227 /nfs/dbraw/zinc/80/32/27/569803227.db2.gz MZCBFKRMLGMMLW-OYHNWAKOSA-N 0 0 455.580 4.234 50 0 JIAARN Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCOCC4)N32)c(C)c1 ZINC000101724796 569803308 /nfs/dbraw/zinc/80/33/08/569803308.db2.gz FPASKEUQAQNBOQ-QHCPKHFHSA-N 0 0 469.607 4.079 50 0 JIAARN O=C(CSc1nccn1-c1ccc(C(=O)NCc2ccco2)cc1)Nc1ccccc1F ZINC000038653469 569805859 /nfs/dbraw/zinc/80/58/59/569805859.db2.gz IGZVARYGVMMIDY-UHFFFAOYSA-N 0 0 450.495 4.265 50 0 JIAARN CCCCCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(Br)cc4)no3)ccc2c1=O ZINC000038655380 569806075 /nfs/dbraw/zinc/80/60/75/569806075.db2.gz JRIVXJOBSHNXCE-UHFFFAOYSA-N 0 0 455.312 4.360 50 0 JIAARN O=C(CN1c2ncccc2N=C(c2cccc(Cl)c2)CC1=O)Nc1ccc2c(c1)OCCO2 ZINC000101880984 569807115 /nfs/dbraw/zinc/80/71/15/569807115.db2.gz SEHAGWSBCJOXAN-UHFFFAOYSA-N 0 0 462.893 4.002 50 0 JIAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Br)cc4)c3)C(=O)[C@H]2C1 ZINC000101889798 569807313 /nfs/dbraw/zinc/80/73/13/569807313.db2.gz VIJKHAXQSPYMBB-UAOJZALGSA-N 0 0 484.346 4.414 50 0 JIAARN COC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@H]1[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000101910609 569807791 /nfs/dbraw/zinc/80/77/91/569807791.db2.gz CDMNCMRAXNJVAA-LZVXQISVSA-N 0 0 451.700 4.413 50 0 JIAARN CCN1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4ccc(C)cc4)N23)CC1 ZINC000101920192 569807854 /nfs/dbraw/zinc/80/78/54/569807854.db2.gz XHACJDPETAQENB-XMMPIXPASA-N 0 0 482.650 4.076 50 0 JIAARN CC[C@@H](C)NC(=O)CC1=CSC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3cc(C)ccc3C)N12 ZINC000102031801 569809125 /nfs/dbraw/zinc/80/91/25/569809125.db2.gz HPZSNFVKCSPHRR-UZUQRXQVSA-N 0 0 471.623 4.373 50 0 JIAARN COc1ccc(C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@@H](C(C)=O)[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000039327444 569809400 /nfs/dbraw/zinc/80/94/00/569809400.db2.gz LQOQTMBXGBPIBB-ZCDCQGGYSA-N 0 0 494.547 4.266 50 0 JIAARN O=C(NCCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1)[C@@H](c1cccnc1)N1CCCC1 ZINC000039356680 569809470 /nfs/dbraw/zinc/80/94/70/569809470.db2.gz MTPQKHXSWZFGIZ-KAYWLYCHSA-N 0 0 474.580 4.110 50 0 JIAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)N1CC(=O)Nc2ccccc21 ZINC000039393063 569809566 /nfs/dbraw/zinc/80/95/66/569809566.db2.gz FZFMOVSIIULZRJ-UHFFFAOYSA-N 0 0 450.467 4.301 50 0 JIAARN CCOC(=O)C(=C(O)CSc1nc(C(F)(F)F)nc2ccccc21)c1nc(C)cs1 ZINC000102161221 569810331 /nfs/dbraw/zinc/81/03/31/569810331.db2.gz YRPYLGSDDKULAM-CQSZACIVSA-N 0 0 455.483 4.422 50 0 JIAARN Nc1c(C(=O)Nc2cc(Cl)ccc2Cl)sc(NC2CCCCC2)c1C(=O)NC1CC1 ZINC000102188220 569810890 /nfs/dbraw/zinc/81/08/90/569810890.db2.gz HVKVQBNJMSZCRB-GOSISDBHSA-N 0 0 467.422 4.480 50 0 JIAARN COc1ccc(C(=O)N[C@@H](C(=O)OCc2cc(=O)oc3cc(C)c(Cl)cc23)C(C)C)cc1 ZINC000039656607 569811011 /nfs/dbraw/zinc/81/10/11/569811011.db2.gz YFJIIQHQJVNXGN-JOCHJYFZSA-N 0 0 457.910 4.261 50 0 JIAARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000102270186 569811737 /nfs/dbraw/zinc/81/17/37/569811737.db2.gz PKVQTBLWBOLMNX-VAMGGRTRSA-N 0 0 463.965 4.245 50 0 JIAARN C[C@@H](NC(=O)CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cc2ccccc2o1 ZINC000039987718 569813305 /nfs/dbraw/zinc/81/33/05/569813305.db2.gz KKXRZSGZRNZEBQ-GOSISDBHSA-N 0 0 455.580 4.287 50 0 JIAARN C[C@@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000040012064 569813676 /nfs/dbraw/zinc/81/36/76/569813676.db2.gz LFHZOBRKLHUTQV-FDDCHVKYSA-N 0 0 452.986 4.122 50 0 JIAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(-c2cccs2)nc2c1cnn2CC ZINC000040033486 569814384 /nfs/dbraw/zinc/81/43/84/569814384.db2.gz RMMRUWIQRGCNJK-UHFFFAOYSA-N 0 0 463.563 4.289 50 0 JIAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)OCC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000040051678 569815108 /nfs/dbraw/zinc/81/51/08/569815108.db2.gz PKDYBKUDYKLKHI-UHFFFAOYSA-N 0 0 477.489 4.184 50 0 JIAARN O=C(Nc1cccc(OCCn2cccn2)c1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000040135158 569817241 /nfs/dbraw/zinc/81/72/41/569817241.db2.gz KCONZXMECYWTQX-UHFFFAOYSA-N 0 0 450.502 4.462 50 0 JIAARN Cc1ccc(NC(=O)N2CCN(C(=O)CCc3cnn(-c4ccccc4)c3)CC2)cc1Cl ZINC000040139113 569817604 /nfs/dbraw/zinc/81/76/04/569817604.db2.gz OUWORCWDAGVXTE-UHFFFAOYSA-N 0 0 451.958 4.143 50 0 JIAARN CCC(=O)c1ccc(OCC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2C(F)(F)F)cc1 ZINC000040142372 569817738 /nfs/dbraw/zinc/81/77/38/569817738.db2.gz CCPQZMLUOOWGJD-HXUWFJFHSA-N 0 0 464.440 4.433 50 0 JIAARN O=C(N[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1)c1ccc2c(c1)NC(=O)CS2 ZINC000040148884 569818385 /nfs/dbraw/zinc/81/83/85/569818385.db2.gz NNQPHJAHLOJECJ-JOCHJYFZSA-N 0 0 465.962 4.172 50 0 JIAARN Cc1cc2oc(=O)cc(CN3CCC[C@@H](NC(=O)[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)C3)c2cc1C ZINC000040149636 569819186 /nfs/dbraw/zinc/81/91/86/569819186.db2.gz OZXFILOLKOWSRY-IFMALSPDSA-N 0 0 497.636 4.138 50 0 JIAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2OC)N2C(CC(=O)NCc3ccco3)=CSC2=N1 ZINC000102742098 569819291 /nfs/dbraw/zinc/81/92/91/569819291.db2.gz LVQBLIQMXYVACR-JOCHJYFZSA-N 0 0 467.547 4.133 50 0 JIAARN COc1ccccc1[C@@H]1C(C(=O)OC(C)(C)C)=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N21 ZINC000102746101 569819832 /nfs/dbraw/zinc/81/98/32/569819832.db2.gz BSBGJJLFOPMGIG-FDDCHVKYSA-N 0 0 499.633 4.297 50 0 JIAARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(F)c2)N2C(CC(=O)NCCc3ccccn3)=CSC2=N1 ZINC000102747471 569820323 /nfs/dbraw/zinc/82/03/23/569820323.db2.gz DNKRQYLXYYNNFU-XMMPIXPASA-N 0 0 494.592 4.496 50 0 JIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3cccnc3)N2[C@H]1c1ccccc1Cl ZINC000102747733 569820447 /nfs/dbraw/zinc/82/04/47/569820447.db2.gz ZRWAUJALLBYPOC-NRFANRHFSA-N 0 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CCOC(=O)c1ccccc1NC(=O)Cn1c2ccccc2n2c1nc(-c1ccc(F)cc1)cc2=O ZINC000040484898 569829903 /nfs/dbraw/zinc/82/99/03/569829903.db2.gz VMDMWYPRIVSQOK-UHFFFAOYSA-N 0 0 484.487 4.271 50 0 JIAARN CCOC(=O)C(=C(O)CSc1nncn1-c1ccc(C)c(Cl)c1)c1nc(C)cs1 ZINC000103034947 569832246 /nfs/dbraw/zinc/83/22/46/569832246.db2.gz OXROTGGBGJCDRT-INIZCTEOSA-N 0 0 450.973 4.002 50 0 JIAARN CC(=O)c1ccc(-c2ccc([C@@H]3NC(=O)N[C@](O)(C(F)(F)F)C3=C(O)c3ccc(F)cc3)o2)cc1 ZINC000103215272 569833907 /nfs/dbraw/zinc/83/39/07/569833907.db2.gz BSICQRNRXRDEDT-ZRCGQRJVSA-N 0 0 490.409 4.392 50 0 JIAARN CCOc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)cc1 ZINC000041086267 569837164 /nfs/dbraw/zinc/83/71/64/569837164.db2.gz PKJYEDQNYLOPIQ-UHFFFAOYSA-N 0 0 468.564 4.189 50 0 JIAARN CC(C)c1ccccc1OCC(=O)NCc1cc(=O)n2nc(-c3ccccc3Cl)sc2n1 ZINC000045961523 569841091 /nfs/dbraw/zinc/84/10/91/569841091.db2.gz GXKUHFSESSLEMH-UHFFFAOYSA-N 0 0 468.966 4.290 50 0 JIAARN CCc1ccc(NC(=O)Cn2nc3ccc(SCc4ccc(Cl)cc4)nn3c2=O)cc1 ZINC000045970737 569841131 /nfs/dbraw/zinc/84/11/31/569841131.db2.gz OGBSGUGJMVAREW-UHFFFAOYSA-N 0 0 453.955 4.038 50 0 JIAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccc(C)c(C)c3)cn(CC(=O)Nc3ccc(Cl)cc3)c2n1 ZINC000045995018 569842158 /nfs/dbraw/zinc/84/21/58/569842158.db2.gz ZVVAZNLWBHBXAW-UHFFFAOYSA-N 0 0 495.988 4.447 50 0 JIAARN Cc1cc2nc(COC(=O)c3ccc(Cl)c(NC(=O)c4ccc(C)c(F)c4)c3)cc(=O)n2o1 ZINC000045995882 569842247 /nfs/dbraw/zinc/84/22/47/569842247.db2.gz MAGHHOVVKHZZJI-UHFFFAOYSA-N 0 0 469.856 4.306 50 0 JIAARN Cc1cccn2c(=O)cc(CSc3nnc(NC(=O)Nc4cccc(Cl)c4)s3)nc12 ZINC000046031560 569842497 /nfs/dbraw/zinc/84/24/97/569842497.db2.gz NLXIAPANTURSOM-UHFFFAOYSA-N 0 0 458.956 4.444 50 0 JIAARN Cc1cccn2c(=O)cc(CSc3nnc(NC(=O)Nc4ccccc4Cl)s3)nc12 ZINC000046031564 569842529 /nfs/dbraw/zinc/84/25/29/569842529.db2.gz PYHVKIJRDXVEDS-UHFFFAOYSA-N 0 0 458.956 4.444 50 0 JIAARN CCc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)cc1 ZINC000046031956 569842864 /nfs/dbraw/zinc/84/28/64/569842864.db2.gz SYUOUQJWFRISCR-UHFFFAOYSA-N 0 0 488.617 4.039 50 0 JIAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)COc3ccccc3Cl)cc(=O)n2o1 ZINC000046048009 569843063 /nfs/dbraw/zinc/84/30/63/569843063.db2.gz UZHGZSOYFRUANW-UHFFFAOYSA-N 0 0 453.882 4.154 50 0 JIAARN O=C(NCc1ccco1)N1CCCN(c2nc3cc(Br)ccc3n3cccc23)CC1 ZINC000046046841 569843069 /nfs/dbraw/zinc/84/30/69/569843069.db2.gz GYIOWZQNAGJZIQ-UHFFFAOYSA-N 0 0 468.355 4.265 50 0 JIAARN COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)cc3C)c3nc(C)ccc3c2=O)cc1 ZINC000046053699 569843089 /nfs/dbraw/zinc/84/30/89/569843089.db2.gz KJUNHJATOLWXLZ-UHFFFAOYSA-N 0 0 455.514 4.200 50 0 JIAARN CCCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC(=O)N2 ZINC000046074131 569843235 /nfs/dbraw/zinc/84/32/35/569843235.db2.gz OUDPEVBSZLAMKN-SECBINFHSA-N 0 0 460.865 4.009 50 0 JIAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N3)c1 ZINC000046074801 569843489 /nfs/dbraw/zinc/84/34/89/569843489.db2.gz PWGBKINXUGJNDB-INIZCTEOSA-N 0 0 454.939 4.089 50 0 JIAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000046074589 569843543 /nfs/dbraw/zinc/84/35/43/569843543.db2.gz TXSLOTQZXYNNIB-OAHLLOKOSA-N 0 0 474.464 4.146 50 0 JIAARN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[nH]c(=O)c21 ZINC000046075425 569844194 /nfs/dbraw/zinc/84/41/94/569844194.db2.gz CQUPKRSHNUULLP-ZDUSSCGKSA-N 0 0 476.892 4.058 50 0 JIAARN Cc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[nH]c(=O)c21 ZINC000046075748 569844509 /nfs/dbraw/zinc/84/45/09/569844509.db2.gz WCVWDWUHWRPFOG-CQSZACIVSA-N 0 0 472.929 4.228 50 0 JIAARN O=C(Nc1cc(F)ccc1F)[C@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[nH]c(=O)c21 ZINC000046075835 569844671 /nfs/dbraw/zinc/84/46/71/569844671.db2.gz RJSVESVPLPFKCL-LBPRGKRZSA-N 0 0 476.892 4.058 50 0 JIAARN O=C(Nc1cc(F)ccc1F)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[nH]c(=O)c21 ZINC000046075838 569844682 /nfs/dbraw/zinc/84/46/82/569844682.db2.gz RJSVESVPLPFKCL-GFCCVEGCSA-N 0 0 476.892 4.058 50 0 JIAARN O=C(NCCC1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000046141558 569845053 /nfs/dbraw/zinc/84/50/53/569845053.db2.gz FEXSAYLILJJJHO-UHFFFAOYSA-N 0 0 455.502 4.318 50 0 JIAARN CCCOc1cc(/C=C(/C(=O)OC)S(=O)(=O)c2ccc(Br)cc2)ccc1OC ZINC000048354866 569845913 /nfs/dbraw/zinc/84/59/13/569845913.db2.gz MRYZZOLTJVUDDB-UYRXBGFRSA-N 0 0 469.353 4.234 50 0 JIAARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)Nc1ccccc1OC(F)(F)F ZINC000048513879 569846038 /nfs/dbraw/zinc/84/60/38/569846038.db2.gz AWVMVOAVSLTDTL-UHFFFAOYSA-N 0 0 455.483 4.493 50 0 JIAARN COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@@H](C(=O)NCc3cccnc3)[C@@H]2C1 ZINC000104915775 569846931 /nfs/dbraw/zinc/84/69/31/569846931.db2.gz IASLODCFFYSVBY-QPPBQGQZSA-N 0 0 496.533 4.293 50 0 JIAARN COc1ccc(NC(=O)Cn2cnc3sc(-c4nc(-c5cccc(C)c5)no4)c(C)c3c2=O)cc1 ZINC000049421746 569847604 /nfs/dbraw/zinc/84/76/04/569847604.db2.gz MCTBWTGIOUMBPZ-UHFFFAOYSA-N 0 0 487.541 4.439 50 0 JIAARN CC(=O)Nc1ccc2c(CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3N)cc(=O)oc2c1 ZINC000049574054 569848793 /nfs/dbraw/zinc/84/87/93/569848793.db2.gz HOOUQJOUAGUHOB-UHFFFAOYSA-N 0 0 463.563 4.314 50 0 JIAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(OC)cc1OC ZINC000105008716 569850260 /nfs/dbraw/zinc/85/02/60/569850260.db2.gz MGQGMFYFQXOLFL-LOSJGSFVSA-N 0 0 493.604 4.108 50 0 JIAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccccc2OC)C[C@@H]1c1ccc(OCC)cc1 ZINC000105009335 569850498 /nfs/dbraw/zinc/85/04/98/569850498.db2.gz ZFGWIGOQFDAZRU-LOSJGSFVSA-N 0 0 493.604 4.189 50 0 JIAARN COc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2ccc(C)cc2C)cc1Cl ZINC000051316568 569850650 /nfs/dbraw/zinc/85/06/50/569850650.db2.gz ODHVGLHWCCBOJU-UHFFFAOYSA-N 0 0 469.954 4.118 50 0 JIAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2ccccc2Cl)C1 ZINC000105010815 569850952 /nfs/dbraw/zinc/85/09/52/569850952.db2.gz RBMKXSRUOXAUHL-FDDCHVKYSA-N 0 0 483.996 4.301 50 0 JIAARN Cc1c(C(=O)NCc2cccc(Br)c2)nnn1-c1ccc(Br)c(C)c1 ZINC000051317903 569851478 /nfs/dbraw/zinc/85/14/78/569851478.db2.gz 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COc1cccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(OC)cc4OC)[C@@H]3C2=O)c1 ZINC000136119164 569864535 /nfs/dbraw/zinc/86/45/35/569864535.db2.gz SAUBBCXGPBQBGT-KMDXXIMOSA-N 0 0 494.931 4.417 50 0 JIAARN CCc1cc(C(=O)c2ccccc2Cl)c(NC(=O)CN2C(=O)c3ccccc3C2=O)s1 ZINC000136889521 569864764 /nfs/dbraw/zinc/86/47/64/569864764.db2.gz BGWSLJJCIYODPX-UHFFFAOYSA-N 0 0 452.919 4.430 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2Cc3ccc(OC)cc3N3CCN(c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000169677457 569868694 /nfs/dbraw/zinc/86/86/94/569868694.db2.gz OSGPHNZMRJECBR-RSXGOPAZSA-N 0 0 461.537 4.349 50 0 JIAARN Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)c2ccccc2)[C@@H](C)C1 ZINC000169680124 569870172 /nfs/dbraw/zinc/87/01/72/569870172.db2.gz BFCATSRURMDIIV-KDYSTLNUSA-N 0 0 473.642 4.377 50 0 JIAARN C[C@@H]1C[C@@H](C)CN(C(=S)SCC(=O)Nc2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)C1 ZINC000169682696 569871051 /nfs/dbraw/zinc/87/10/51/569871051.db2.gz IJLJBGRTNQEFOG-JFIYKMOQSA-N 0 0 468.648 4.324 50 0 JIAARN 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GMVZYVYVKUGJON-YOEHRIQHSA-N 0 0 458.605 4.257 50 0 JIAARN CCn1c(CNS(=O)(=O)c2ccc(Cl)cc2)nnc1SCc1ccc(Cl)cc1 ZINC000001388333 194113774 /nfs/dbraw/zinc/11/37/74/194113774.db2.gz SJYQSRQLARYSHY-UHFFFAOYSA-N 0 0 457.408 4.376 50 0 JIAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccn(Cc2ccc3c(c2)OC(F)(F)O3)c1=O ZINC000001391164 194114097 /nfs/dbraw/zinc/11/40/97/194114097.db2.gz JGYONLFUWWKGJN-UHFFFAOYSA-N 0 0 452.335 4.489 50 0 JIAARN COc1ccc(NC(=O)[C@H](C)N(Cc2ccccc2F)C(=O)CSc2nc(C)cc(C)n2)cc1 ZINC000001407229 194116126 /nfs/dbraw/zinc/11/61/26/194116126.db2.gz CUJQGVDVSRSWRG-SFHVURJKSA-N 0 0 482.581 4.389 50 0 JIAARN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNS(=O)(=O)c1c2nsnc2ccc1C ZINC000001423534 194118567 /nfs/dbraw/zinc/11/85/67/194118567.db2.gz PDTWIRLUBMHJPR-UHFFFAOYSA-N 0 0 470.498 4.209 50 0 JIAARN CCOC(=O)C1=C(CSc2nc3ccccc3[nH]2)NC(=O)N[C@@H]1c1cc(OCC)ccc1OCC ZINC000001425288 194118874 /nfs/dbraw/zinc/11/88/74/194118874.db2.gz AQCIODUDUDWKMC-JOCHJYFZSA-N 0 0 496.589 4.324 50 0 JIAARN CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1CS(=O)(=O)c1ccccc1 ZINC000001427782 194119282 /nfs/dbraw/zinc/11/92/82/194119282.db2.gz JIKLJNZKHFXHKY-UHFFFAOYSA-N 0 0 466.353 4.100 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCSCC4)c(Cl)c3n2)cc1OC ZINC000001517232 194127380 /nfs/dbraw/zinc/12/73/80/194127380.db2.gz IYFTXJGFWFWXAB-UHFFFAOYSA-N 0 0 486.903 4.275 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1C[C@@H](c2ccccc2)CC1=O ZINC000001440689 194121112 /nfs/dbraw/zinc/12/11/12/194121112.db2.gz XJLUJDYZMMYMNP-SFHVURJKSA-N 0 0 484.961 4.306 50 0 JIAARN COc1ccc(CN2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000001442575 194121808 /nfs/dbraw/zinc/12/18/08/194121808.db2.gz HYIRUDJYGXOBJP-JOCHJYFZSA-N 0 0 483.446 4.479 50 0 JIAARN CC(=O)Nc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)cc1 ZINC000001446575 194122462 /nfs/dbraw/zinc/12/24/62/194122462.db2.gz MZCFUSHRHQEVOK-QGZVFWFLSA-N 0 0 473.813 4.366 50 0 JIAARN COc1ccc(Oc2coc3c(C)c(OC(=O)CNC(=O)OC(C)(C)C)ccc3c2=O)cc1 ZINC000001750358 194134131 /nfs/dbraw/zinc/13/41/31/194134131.db2.gz WCVDLEQDKICVOT-UHFFFAOYSA-N 0 0 455.463 4.332 50 0 biogenic JIAARN CCOC(=O)c1c2c(sc1NC(=O)CC(=O)Nc1sc3c(c1C(=O)OCC)CCC3)CCC2 ZINC000001801815 194142831 /nfs/dbraw/zinc/14/28/31/194142831.db2.gz UGBBHEHGXRICBC-UHFFFAOYSA-N 0 0 490.603 4.108 50 0 JIAARN COc1ccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc(F)cc4)c(=O)n3n2)cc1 ZINC000001806419 194143796 /nfs/dbraw/zinc/14/37/96/194143796.db2.gz MMGPCHMQGSTEHB-HAHDFKILSA-N 0 0 495.539 4.366 50 0 JIAARN CCCCOc1ccc(-c2nc3s/c(=C\c4ccc(Br)cc4)c(=O)n3n2)cc1 ZINC000001806301 194143857 /nfs/dbraw/zinc/14/38/57/194143857.db2.gz XVLWQDDVBGFTMK-AQTBWJFISA-N 0 0 456.365 4.307 50 0 JIAARN CCCOc1ccc(/C=c2\sc3nc(-c4cc5ccccc5cc4OC(C)=O)nn3c2=O)cc1 ZINC000001834717 194148802 /nfs/dbraw/zinc/14/88/02/194148802.db2.gz ZIABITRAVJYWHQ-QRVIBDJDSA-N 0 0 471.538 4.233 50 0 JIAARN COc1ccccc1NC(=O)c1c(C(=O)Nc2cccc(C)c2C)sc2nc(C)cc(=O)n21 ZINC000001907015 194154749 /nfs/dbraw/zinc/15/47/49/194154749.db2.gz NGVUTEGCHNBNNP-UHFFFAOYSA-N 0 0 462.531 4.194 50 0 JIAARN CC(=O)c1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)cc1 ZINC000002223696 194158385 /nfs/dbraw/zinc/15/83/85/194158385.db2.gz PNLTWQIDFDSEPD-UHFFFAOYSA-N 0 0 450.564 4.049 50 0 JIAARN COCCCn1c(N)c(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c2nc3ccccc3nc21 ZINC000002313584 194159519 /nfs/dbraw/zinc/15/95/19/194159519.db2.gz JMSZNBMXPZPQEY-UHFFFAOYSA-N 0 0 493.589 4.182 50 0 JIAARN O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)Nc1cccc(F)c1 ZINC000002633829 194162991 /nfs/dbraw/zinc/16/29/91/194162991.db2.gz KTTNIGHXFRBYKA-UHFFFAOYSA-N 0 0 463.538 4.130 50 0 JIAARN Cc1c(C(=O)N2CCC(C)CC2)sc2ncn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c12 ZINC000002925779 194171660 /nfs/dbraw/zinc/17/16/60/194171660.db2.gz HCAZILDYENVGJS-UHFFFAOYSA-N 0 0 472.998 4.239 50 0 JIAARN COc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(OC)c(OC)c2)cc1 ZINC000002953006 194178425 /nfs/dbraw/zinc/17/84/25/194178425.db2.gz CXYALPQELONISL-WCTVFOPTSA-N 0 0 475.501 4.139 50 0 JIAARN CCc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc3c(c2)OCO3)cc1 ZINC000002953995 194178723 /nfs/dbraw/zinc/17/87/23/194178723.db2.gz LONJPBCGMKFJNB-WCTVFOPTSA-N 0 0 457.486 4.404 50 0 JIAARN COc1ccc(OC)c(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2OC)c1 ZINC000002955059 194179190 /nfs/dbraw/zinc/17/91/90/194179190.db2.gz OGDCVWYRIFZNMG-WCTVFOPTSA-N 0 0 475.501 4.139 50 0 JIAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1ccc(F)cc1 ZINC000002956699 194179823 /nfs/dbraw/zinc/17/98/23/194179823.db2.gz FVRBVYOECXOQDY-UHFFFAOYSA-N 0 0 471.941 4.065 50 0 JIAARN CCc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(Cc3cccc(C)c3)c2=O)cc1 ZINC000002956848 194180102 /nfs/dbraw/zinc/18/01/02/194180102.db2.gz KDIULQTYEKHZIT-UHFFFAOYSA-N 0 0 461.587 4.143 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2nc3nnc(C)c-3c(N)n2-c2ccc(C)c(Cl)c2)c1 ZINC000002927010 194172006 /nfs/dbraw/zinc/17/20/06/194172006.db2.gz HQPBTBZLXSUXCP-UHFFFAOYSA-N 0 0 498.996 4.246 50 0 JIAARN COc1cccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000002927068 194172061 /nfs/dbraw/zinc/17/20/61/194172061.db2.gz MERLGZJQOXAXTI-UHFFFAOYSA-N 0 0 468.970 4.238 50 0 JIAARN COc1ccc(N(CC(=O)N[C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000002936378 194174074 /nfs/dbraw/zinc/17/40/74/194174074.db2.gz MPOXLAWJZCCXPK-IBGZPJMESA-N 0 0 468.575 4.085 50 0 JIAARN CCOc1ccc(OCC)c(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000002940582 194174920 /nfs/dbraw/zinc/17/49/20/194174920.db2.gz VIXKEAZLBLWBFO-UHFFFAOYSA-N 0 0 456.358 4.049 50 0 JIAARN COc1ccc2nc(NC(=O)c3nn(-c4ccc(OC)cc4OC)c(=O)c4ccccc43)sc2c1 ZINC000002942929 194175171 /nfs/dbraw/zinc/17/51/71/194175171.db2.gz DOMUFEFPNJPUIS-UHFFFAOYSA-N 0 0 488.525 4.274 50 0 JIAARN CCOc1ccccc1N(C)C(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc21 ZINC000002943984 194175722 /nfs/dbraw/zinc/17/57/22/194175722.db2.gz OMZOPZRXTDLFMB-UHFFFAOYSA-N 0 0 459.502 4.078 50 0 JIAARN Cc1ccc(N(CC(=O)NCCSc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002982250 194194314 /nfs/dbraw/zinc/19/43/14/194194314.db2.gz CUFDRNWPRBOXQA-UHFFFAOYSA-N 0 0 454.617 4.407 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002964374 194183632 /nfs/dbraw/zinc/18/36/32/194183632.db2.gz WTLPLIHNVSHVTA-UHFFFAOYSA-N 0 0 482.558 4.014 50 0 JIAARN CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O ZINC000002967019 194184729 /nfs/dbraw/zinc/18/47/29/194184729.db2.gz HHCTWBNGIHASED-HXUWFJFHSA-N 0 0 452.555 4.414 50 0 JIAARN O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O)NCc1ccco1 ZINC000002967886 194185610 /nfs/dbraw/zinc/18/56/10/194185610.db2.gz JQTMDOCMOBBORJ-FQEVSTJZSA-N 0 0 462.506 4.017 50 0 aggregator JIAARN COc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1Br ZINC000002971831 194188851 /nfs/dbraw/zinc/18/88/51/194188851.db2.gz YHSRYNVTTQDIHP-UHFFFAOYSA-N 0 0 450.807 4.323 50 0 JIAARN CC[C@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)C(=O)NCc1ccc(C)cc1 ZINC000002974232 194190381 /nfs/dbraw/zinc/19/03/81/194190381.db2.gz NNUSRRXKOCDDRD-QHCPKHFHSA-N 0 0 491.569 4.262 50 0 JIAARN COc1cc2nc(SCC(=O)NCc3ccco3)n(Cc3ccc(Cl)cc3)c(=O)c2cc1OC ZINC000002975513 194190689 /nfs/dbraw/zinc/19/06/89/194190689.db2.gz SNRGIXFMGZIJJN-UHFFFAOYSA-N 0 0 499.976 4.117 50 0 JIAARN CCCCNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1CCc1ccc(Cl)cc1 ZINC000002975684 194190883 /nfs/dbraw/zinc/19/08/83/194190883.db2.gz UPLUBEBKAPNHEG-UHFFFAOYSA-N 0 0 490.025 4.318 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000002984695 194195162 /nfs/dbraw/zinc/19/51/62/194195162.db2.gz PFGZPRABODLDRI-KGENOOAVSA-N 0 0 496.928 4.411 50 0 JIAARN CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CS(=O)(=O)C3)cc1 ZINC000003008986 194203207 /nfs/dbraw/zinc/20/32/07/194203207.db2.gz PHPPFJYDVNORJQ-UHFFFAOYSA-N 0 0 459.955 4.385 50 0 JIAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2Cl)CS(=O)(=O)C3)c(C)c1 ZINC000003009673 194203527 /nfs/dbraw/zinc/20/35/27/194203527.db2.gz DHTBDDBITRWYJU-UHFFFAOYSA-N 0 0 450.347 4.477 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccc2)c2ccc(C)cc2)cc1 ZINC000002986511 194195558 /nfs/dbraw/zinc/19/55/58/194195558.db2.gz IVMISDZAXBPWEG-UHFFFAOYSA-N 0 0 470.616 4.107 50 0 JIAARN COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2)cc1 ZINC000003005729 194200634 /nfs/dbraw/zinc/20/06/34/194200634.db2.gz MNQZROTWIWGATJ-HSZRJFAPSA-N 0 0 461.514 4.309 50 0 JIAARN CCOC(=O)c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000003028603 194212183 /nfs/dbraw/zinc/21/21/83/194212183.db2.gz VPDINZZWDVEUHC-UHFFFAOYSA-N 0 0 481.570 4.334 50 0 JIAARN O=C(Nc1ccc(F)c(F)c1)c1ccc(F)c(S(=O)(=O)NCc2ccccc2Cl)c1 ZINC000003031056 194212755 /nfs/dbraw/zinc/21/27/55/194212755.db2.gz YGTJWGOJQMJYDJ-UHFFFAOYSA-N 0 0 454.857 4.488 50 0 JIAARN COc1ccccc1CN1C(=O)CN(C2CCCC2)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000003039692 194215014 /nfs/dbraw/zinc/21/50/14/194215014.db2.gz KRUZPCLARCUZQY-QFIPXVFZSA-N 0 0 457.368 4.312 50 0 JIAARN COc1ccc(CCNC(=O)CCc2nc3ccccc3n(Cc3ccc(C)cc3)c2=O)cc1OC ZINC000003040694 194215291 /nfs/dbraw/zinc/21/52/91/194215291.db2.gz BLWXJFCBQOVGTR-UHFFFAOYSA-N 0 0 485.584 4.062 50 0 JIAARN O=C(Cn1cc(C(=O)C(=O)N2CC=C(c3ccccc3)CC2)c2ccccc21)N1CCCCC1 ZINC000003015506 194207218 /nfs/dbraw/zinc/20/72/18/194207218.db2.gz PJNDKHIRUYHBSR-UHFFFAOYSA-N 0 0 455.558 4.152 50 0 JIAARN O=C(Nc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000003022314 194209274 /nfs/dbraw/zinc/20/92/74/194209274.db2.gz ZPWKRKWQMCFQMF-UHFFFAOYSA-N 0 0 491.947 4.381 50 0 JIAARN CCOC(=O)N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000003130874 194229566 /nfs/dbraw/zinc/22/95/66/194229566.db2.gz LNKWLOPKOXRNMC-VIFPVBQESA-N 0 0 496.585 4.020 50 0 JIAARN CCCCOC(=O)c1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccccc4)cc3C2=O)c1 ZINC000003142976 194231494 /nfs/dbraw/zinc/23/14/94/194231494.db2.gz YWITZFGBJNKVCY-UHFFFAOYSA-N 0 0 485.492 4.484 50 0 JIAARN Cc1cc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)n(-c2ccccc2)n1 ZINC000003217774 194241291 /nfs/dbraw/zinc/24/12/91/194241291.db2.gz ZYWWVIRKYOJWFG-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/11/30/48/195113048.db2.gz UVAWPYRLUVYJTA-QFIPXVFZSA-N 0 0 487.537 4.328 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCC[C@@H]3CCCC[C@@H]31)n(CC(C)C)c2=O ZINC000012765777 195113729 /nfs/dbraw/zinc/11/37/29/195113729.db2.gz QRTQYUMRARQPER-UWJYYQICSA-N 0 0 471.623 4.112 50 0 JIAARN C/C=C/c1cc(C(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc(OC)c1OC ZINC000012767216 195114639 /nfs/dbraw/zinc/11/46/39/195114639.db2.gz LWVIGMGXOUGWKH-AATRIKPKSA-N 0 0 462.550 4.053 50 0 JIAARN Cc1ccccc1C(=O)N1CCC(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000012772364 195118465 /nfs/dbraw/zinc/11/84/65/195118465.db2.gz BICIKAZDECHCLH-UHFFFAOYSA-N 0 0 462.377 4.251 50 0 JIAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000012772359 195118514 /nfs/dbraw/zinc/11/85/14/195118514.db2.gz BXKQMSNCGGQLBC-UHFFFAOYSA-N 0 0 463.500 4.220 50 0 JIAARN C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000012772622 195118638 /nfs/dbraw/zinc/11/86/38/195118638.db2.gz 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CC(C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000012790782 195131591 /nfs/dbraw/zinc/13/15/91/195131591.db2.gz FOXHXJVRIGJXFQ-KRWDZBQOSA-N 0 0 483.556 4.162 50 0 JIAARN CCN(CC(=O)Nc1ccc2c(c1)OCCCO2)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012789660 195130706 /nfs/dbraw/zinc/13/07/06/195130706.db2.gz FSEQYZWAPVUEQN-UHFFFAOYSA-N 0 0 452.338 4.054 50 0 JIAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000012791548 195132418 /nfs/dbraw/zinc/13/24/18/195132418.db2.gz HUGLXNHQZNJHBX-UHFFFAOYSA-N 0 0 472.950 4.184 50 0 JIAARN Cc1sc2nc(S[C@H](C)C(=O)c3ccc4c(c3)NC(=O)CO4)n(CC(C)C)c(=O)c2c1C ZINC000012791906 195132737 /nfs/dbraw/zinc/13/27/37/195132737.db2.gz OTERFMHMXRUKMP-CQSZACIVSA-N 0 0 471.604 4.425 50 0 JIAARN Cc1csc(N(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c2ccccc2)n1 ZINC000012792035 195132896 /nfs/dbraw/zinc/13/28/96/195132896.db2.gz YVVUCCYAWUAXIL-QGZVFWFLSA-N 0 0 459.568 4.356 50 0 JIAARN COc1ccc(-c2nnn(CC(=O)N3c4ccccc4SC[C@H]3c3ccccc3)n2)cc1OC 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/nfs/dbraw/zinc/13/90/82/195139082.db2.gz PGDWKWAQHAWPHB-ZDUSSCGKSA-N 0 0 483.615 4.297 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(Br)ccc1F ZINC000012801354 195139293 /nfs/dbraw/zinc/13/92/93/195139293.db2.gz IMFQBLCNSILOIA-UHFFFAOYSA-N 0 0 471.348 4.024 50 0 JIAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000012802527 195140069 /nfs/dbraw/zinc/14/00/69/195140069.db2.gz KVXMULSDYFXGAY-CYBMUJFWSA-N 0 0 452.338 4.496 50 0 JIAARN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H](C)CCc1ccccc1 ZINC000012802562 195140100 /nfs/dbraw/zinc/14/01/00/195140100.db2.gz YFSKZYSDIPBTFC-UZLBHIALSA-N 0 0 463.441 4.438 50 0 JIAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1C(=S)N=NC1c1ccc(C)cc1 ZINC000012805959 195141539 /nfs/dbraw/zinc/14/15/39/195141539.db2.gz KNTKFSBXKAUCHW-UHFFFAOYSA-N 0 0 477.512 4.048 50 0 JIAARN CCN(C(=O)CSc1nc2ccccc2c(Nc2ccccc2Cl)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000012807738 195142513 /nfs/dbraw/zinc/14/25/13/195142513.db2.gz HQCWLBUCGURZMT-OAHLLOKOSA-N 0 0 491.038 4.155 50 0 JIAARN CC(C)n1ncc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)cnc21 ZINC000012810698 195144265 /nfs/dbraw/zinc/14/42/65/195144265.db2.gz UXMFNENRNNXGMA-UHFFFAOYSA-N 0 0 461.975 4.093 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(Br)cc1F ZINC000012811034 195144358 /nfs/dbraw/zinc/14/43/58/195144358.db2.gz SQBTURGDLSLUSW-UHFFFAOYSA-N 0 0 485.375 4.414 50 0 JIAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)c2oc3ccc(Br)cc3c2C)CC1 ZINC000012812467 195145064 /nfs/dbraw/zinc/14/50/64/195145064.db2.gz UWQDZKJDLFOQLY-UHFFFAOYSA-N 0 0 484.394 4.463 50 0 JIAARN CC[C@@H](C)N(C(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccco1)[C@@H](C)CC ZINC000012817036 195147324 /nfs/dbraw/zinc/14/73/24/195147324.db2.gz QIGJPWXQTNQNHF-CALCHBBNSA-N 0 0 485.606 4.342 50 0 JIAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000012817454 195147720 /nfs/dbraw/zinc/14/77/20/195147720.db2.gz AFPXFAKGHMIWRQ-UHFFFAOYSA-N 0 0 498.296 4.493 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccccc1Br ZINC000012821961 195149864 /nfs/dbraw/zinc/14/98/64/195149864.db2.gz CEXBWBJQMYJBQH-UHFFFAOYSA-N 0 0 497.411 4.040 50 0 JIAARN COc1ccc2cc(COC(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)ccc2c1 ZINC000012823662 195150263 /nfs/dbraw/zinc/15/02/63/195150263.db2.gz QFOKVFPMJQXMBS-UHFFFAOYSA-N 0 0 457.523 4.132 50 0 JIAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCCn4c5ccccc5oc4=O)cc3)ccc12 ZINC000012847690 195152968 /nfs/dbraw/zinc/15/29/68/195152968.db2.gz HXNUBJWAYCSXPI-UHFFFAOYSA-N 0 0 471.465 4.445 50 0 JIAARN O=C(COc1ccc(Cl)cc1Br)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000012853984 195156323 /nfs/dbraw/zinc/15/63/23/195156323.db2.gz GIRPHYSGUXAYMU-UHFFFAOYSA-N 0 0 493.741 4.339 50 0 JIAARN Cc1c(NC(=O)CCn2c(=O)oc3ccccc32)cccc1C(=O)N1CCc2sccc2C1 ZINC000012853523 195156121 /nfs/dbraw/zinc/15/61/21/195156121.db2.gz MGTWYUHZCDWVSD-UHFFFAOYSA-N 0 0 461.543 4.192 50 0 JIAARN CCOC(=O)[C@@H](C(=O)NCCc1c[nH]c2ccccc12)c1ncc(C(F)(F)F)cc1Cl ZINC000012859085 195158772 /nfs/dbraw/zinc/15/87/72/195158772.db2.gz VHKFQMZZPLPJST-QGZVFWFLSA-N 0 0 453.848 4.241 50 0 JIAARN COc1ccc([C@@H](C)NS(=O)(=O)c2cc(Br)ccc2Br)cc1F ZINC000012869437 195162994 /nfs/dbraw/zinc/16/29/94/195162994.db2.gz FPAOXOQGKRPXJU-SECBINFHSA-N 0 0 467.154 4.399 50 0 JIAARN O=C(Nc1ccc(I)cc1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012872954 195164386 /nfs/dbraw/zinc/16/43/86/195164386.db2.gz NABFVGRGEJTJMZ-UHFFFAOYSA-N 0 0 473.314 4.370 50 0 JIAARN Cc1cc(C)nc(Sc2ccc(NC(=O)CN(C)S(=O)(=O)/C=C/c3ccccc3)cc2)n1 ZINC000012875033 195165673 /nfs/dbraw/zinc/16/56/73/195165673.db2.gz NRRNHTUHMSQVOP-BUHFOSPRSA-N 0 0 468.604 4.116 50 0 JIAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)c1ccccc1 ZINC000012888501 195171550 /nfs/dbraw/zinc/17/15/50/195171550.db2.gz KYNCVQJNDCGRKD-CJQNEGCDSA-N 0 0 479.646 4.443 50 0 biogenic JIAARN COC(=O)[C@H]1CCCN1C(=O)c1cc2c3ccccc3[nH]c2c(-c2cc(OC)ccc2OC)n1 ZINC000012890615 195172869 /nfs/dbraw/zinc/17/28/69/195172869.db2.gz BBGLBMKCPJOHME-OAQYLSRUSA-N 0 0 459.502 4.178 50 0 biogenic JIAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000012894052 195174341 /nfs/dbraw/zinc/17/43/41/195174341.db2.gz BQFXKHROSHXZMC-UHFFFAOYSA-N 0 0 470.353 4.294 50 0 JIAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4cccc([C@H](C)O)c4)c(C)c13)CCC(C)(C)O2 ZINC000012900911 195177310 /nfs/dbraw/zinc/17/73/10/195177310.db2.gz VVCLVLXUSFSNMO-HNNXBMFYSA-N 0 0 451.519 4.448 50 0 biogenic JIAARN COc1ccc(OC)c(NC(=O)Cc2c(C)c3c(OC)cc4c(c3oc2=O)CCC(C)(C)O4)c1 ZINC000012900647 195177329 /nfs/dbraw/zinc/17/73/29/195177329.db2.gz QGBRVGCOFOOKKI-UHFFFAOYSA-N 0 0 467.518 4.412 50 0 biogenic JIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)o1 ZINC000012862468 195159974 /nfs/dbraw/zinc/15/99/74/195159974.db2.gz MPZMXFCILWRGSR-IBGZPJMESA-N 0 0 463.519 4.115 50 0 JIAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N(CCc3ccccc3)Cc3ccccc3)c2)C[C@H](C)O1 ZINC000012902137 195177814 /nfs/dbraw/zinc/17/78/14/195177814.db2.gz RQRRAJDUWITDPB-GOTSBHOMSA-N 0 0 492.641 4.370 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(C(C)=O)cc2)c1 ZINC000012903995 195178581 /nfs/dbraw/zinc/17/85/81/195178581.db2.gz QJTCAMZPOXTSLK-UHFFFAOYSA-N 0 0 482.558 4.131 50 0 JIAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)N1CCN(Cc2ccccc2)CC1 ZINC000020648326 195195224 /nfs/dbraw/zinc/19/52/24/195195224.db2.gz FWAKPTGZFWMXJH-UHFFFAOYSA-N 0 0 454.526 4.183 50 0 biogenic JIAARN CCOC(=O)c1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2F)cc1 ZINC000020616978 195188721 /nfs/dbraw/zinc/18/87/21/195188721.db2.gz RDPFCEAXHQFULP-GNVQSUKOSA-N 0 0 475.476 4.429 50 0 JIAARN Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCN(c4nsc5ccccc54)CC3)sc21 ZINC000020617083 195188901 /nfs/dbraw/zinc/18/89/01/195188901.db2.gz ZNWBREBKAIZLFG-UHFFFAOYSA-N 0 0 451.499 4.226 50 0 JIAARN COc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cc(C)ccc2OC)c(OC)c1 ZINC000020617397 195189201 /nfs/dbraw/zinc/18/92/01/195189201.db2.gz ZLXBYXNUBVSTDR-IKPAITLHSA-N 0 0 489.528 4.447 50 0 JIAARN Cn1c(CN2CCN(C(=O)C3CCCCC3)CC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000020622971 195190801 /nfs/dbraw/zinc/19/08/01/195190801.db2.gz TZQLDTYOZKPNBS-UHFFFAOYSA-N 0 0 465.623 4.112 50 0 JIAARN O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020676456 195201085 /nfs/dbraw/zinc/20/10/85/195201085.db2.gz HRBBXFHEUHOABN-NDEPHWFRSA-N 0 0 499.567 4.419 50 0 JIAARN COc1ccccc1CNC(=O)C[C@H]1C(=O)N(Cc2ccccc2)[C@H](C)c2nc3ccccc3n21 ZINC000020676966 195201945 /nfs/dbraw/zinc/20/19/45/195201945.db2.gz UWNGGEQRIHCXNH-DVECYGJZSA-N 0 0 468.557 4.396 50 0 JIAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000020718929 195206260 /nfs/dbraw/zinc/20/62/60/195206260.db2.gz HWWWGWBRSHKHCZ-FPOVZHCZSA-N 0 0 473.360 4.158 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2ccc(/C=C3\Oc4ccccc4NC3=O)cc2)CC1 ZINC000020730366 195210025 /nfs/dbraw/zinc/21/00/25/195210025.db2.gz WLTZMSQEBSJZCH-BWAHOGKJSA-N 0 0 455.514 4.030 50 0 JIAARN CCc1nn2c(ncc3c2ccn(-c2ccc(OC)cc2OC)c3=O)c1-c1ccc(OC)cc1 ZINC000020744957 195214789 /nfs/dbraw/zinc/21/47/89/195214789.db2.gz AROQIRJXEFOCGD-UHFFFAOYSA-N 0 0 456.502 4.289 50 0 JIAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Br)cc2)c1 ZINC000020746116 195215037 /nfs/dbraw/zinc/21/50/37/195215037.db2.gz GHKFQJMVLXTODI-LJQANCHMSA-N 0 0 455.312 4.138 50 0 JIAARN O=C(c1cnc2sc3c(n2c1=O)CCCC3)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020767686 195222789 /nfs/dbraw/zinc/22/27/89/195222789.db2.gz YKNYSDDMVUXQEY-UHFFFAOYSA-N 0 0 484.625 4.182 50 0 JIAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCc1ccc(Br)cc1 ZINC000020895479 195239526 /nfs/dbraw/zinc/23/95/26/195239526.db2.gz DWRMIBJFZYHARF-IBGZPJMESA-N 0 0 478.368 4.038 50 0 JIAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Cl)c1OCc1ccccc1F ZINC000020895521 195239561 /nfs/dbraw/zinc/23/95/61/195239561.db2.gz BPWWCNHQHGSBCH-LJQANCHMSA-N 0 0 451.907 4.068 50 0 JIAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000020895634 195239593 /nfs/dbraw/zinc/23/95/93/195239593.db2.gz OAXFGKCQPRTFMX-FQEVSTJZSA-N 0 0 492.395 4.346 50 0 JIAARN Cc1ccc(CNC(=O)Cn2c3c4ccccc4oc3c(=O)n(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000020921360 195248106 /nfs/dbraw/zinc/24/81/06/195248106.db2.gz AVGAPFNQEITJGT-UHFFFAOYSA-N 0 0 473.916 4.177 50 0 JIAARN CCc1nn2c(nc(COc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2=O)s1 ZINC000020859246 195232619 /nfs/dbraw/zinc/23/26/19/195232619.db2.gz BCRADFPVBJQQQP-UHFFFAOYSA-N 0 0 464.591 4.447 50 0 JIAARN CCOC(=O)[C@H](C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1 ZINC000020858705 195232743 /nfs/dbraw/zinc/23/27/43/195232743.db2.gz HBPZRYRDMGEKPU-MPVQEXEOSA-N 0 0 482.650 4.203 50 0 JIAARN CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3n2C)CC1 ZINC000020893293 195237881 /nfs/dbraw/zinc/23/78/81/195237881.db2.gz KHDUMAZMLXWMSD-UHFFFAOYSA-N 0 0 477.609 4.397 50 0 JIAARN Cc1ccc(C(=O)CSc2nc3cc(C(=O)NCC(C)C)ccc3c(=O)n2C[C@H]2CCCO2)cc1 ZINC000020945951 195256685 /nfs/dbraw/zinc/25/66/85/195256685.db2.gz YNNPCHVKCITKIQ-OAQYLSRUSA-N 0 0 493.629 4.245 50 0 JIAARN CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977887 195258494 /nfs/dbraw/zinc/25/84/94/195258494.db2.gz UYNPGAYQUXFYDN-UHFFFAOYSA-N 0 0 468.482 4.428 50 0 JIAARN CCOC(=O)C[C@@H]1c2cc(OCC)c(OCC)cc2CCN1CC(=O)Nc1ccc(F)cc1 ZINC000020932514 195251689 /nfs/dbraw/zinc/25/16/89/195251689.db2.gz OEOUOXHGCKNYCF-OAQYLSRUSA-N 0 0 458.530 4.114 50 0 JIAARN CCOC(=O)C[C@@H]1c2cc(OCC)c(OCC)cc2CCN1CC(=O)Nc1ccc(F)cc1C ZINC000020932574 195251921 /nfs/dbraw/zinc/25/19/21/195251921.db2.gz RHBMSDDLDXBNQG-JOCHJYFZSA-N 0 0 472.557 4.423 50 0 JIAARN C=C1C(N2CCC(C(=O)N3CCC(C)CC3)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000020987592 195261175 /nfs/dbraw/zinc/26/11/75/195261175.db2.gz JGCHIFXEXYCFGI-UHFFFAOYSA-N 0 0 457.640 4.253 50 0 JIAARN CCOC(=O)Cc1ccc(NC(=O)Nc2cc3c(cc2N2CCCC2)n(CC)c(=O)n3CC)cc1 ZINC000020991705 195262115 /nfs/dbraw/zinc/26/21/15/195262115.db2.gz RXKUELJMUXSZIS-UHFFFAOYSA-N 0 0 479.581 4.193 50 0 JIAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000020995451 195264227 /nfs/dbraw/zinc/26/42/27/195264227.db2.gz QCQLIKXJBVEQLX-CSHXORCISA-N 0 0 469.563 4.403 50 0 JIAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000020995454 195264270 /nfs/dbraw/zinc/26/42/70/195264270.db2.gz QCQLIKXJBVEQLX-SGQUHAKNSA-N 0 0 469.563 4.403 50 0 JIAARN C[C@H](CC(=O)N(Cc1ccco1)C1CCCCC1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000020995702 195264643 /nfs/dbraw/zinc/26/46/43/195264643.db2.gz YVLXNKNVEONKDM-LJQANCHMSA-N 0 0 498.645 4.493 50 0 JIAARN Fc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)CC1 ZINC000021040091 195270681 /nfs/dbraw/zinc/27/06/81/195270681.db2.gz ALYOIPLOVXBKTI-UHFFFAOYSA-N 0 0 482.401 4.263 50 0 JIAARN Cc1ccc(CNc2ccc(C(=O)NCCC3=CCCCC3)cc2S(=O)(=O)N2CCOCC2)cc1 ZINC000021051926 195272740 /nfs/dbraw/zinc/27/27/40/195272740.db2.gz YOPXBAROPDWDGP-UHFFFAOYSA-N 0 0 497.661 4.248 50 0 JIAARN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)ccc21 ZINC000021053718 195273430 /nfs/dbraw/zinc/27/34/30/195273430.db2.gz XANMIZBGFLULEE-UHFFFAOYSA-N 0 0 459.999 4.032 50 0 JIAARN Cc1nn(C)c(C)c1CNC(=O)c1ccc(-c2nc(CN3CCc4ccccc43)c(C)o2)cc1 ZINC000021094093 195275371 /nfs/dbraw/zinc/27/53/71/195275371.db2.gz ZGLUJVNYPWFIOL-UHFFFAOYSA-N 0 0 455.562 4.493 50 0 JIAARN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cccc3c2SCCC3=O)CC1 ZINC000021103132 195276841 /nfs/dbraw/zinc/27/68/41/195276841.db2.gz YWVPZOVVMPOOJO-UHFFFAOYSA-N 0 0 458.027 4.269 50 0 JIAARN COc1cc(CNC(=O)c2sc3ncnc(N4CCCCCC4)c3c2C)cc(OC)c1OC ZINC000021116003 195278404 /nfs/dbraw/zinc/27/84/04/195278404.db2.gz SKIOVZGYXYDZCO-UHFFFAOYSA-N 0 0 470.595 4.336 50 0 JIAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)c1N ZINC000021115211 195278561 /nfs/dbraw/zinc/27/85/61/195278561.db2.gz DXDMQXRHEJSWPE-UHFFFAOYSA-N 0 0 454.486 4.115 50 0 JIAARN CC(=O)c1cccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc3N2Cc2ccccc2)c1 ZINC000021117814 195279294 /nfs/dbraw/zinc/27/92/94/195279294.db2.gz OXLBDKFRXIGYHL-UHFFFAOYSA-N 0 0 479.583 4.326 50 0 JIAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)C(=O)NC1CCCCC1 ZINC000021124350 195280189 /nfs/dbraw/zinc/28/01/89/195280189.db2.gz LPKUZZNTOOHHDU-INIZCTEOSA-N 0 0 478.998 4.159 50 0 JIAARN O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000021128118 195280784 /nfs/dbraw/zinc/28/07/84/195280784.db2.gz CWRNAKDZEYKQQV-UHFFFAOYSA-N 0 0 465.604 4.396 50 0 JIAARN COc1cccc(N2CCN(C(=O)CSc3ncnc4c3sc3cccc(F)c34)CC2)c1 ZINC000021153292 195283938 /nfs/dbraw/zinc/28/39/38/195283938.db2.gz PFLRPEJAJPQRLT-UHFFFAOYSA-N 0 0 468.579 4.433 50 0 JIAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(S(=O)(=O)c1ccc(C(C)C)cc1)CC2 ZINC000021157947 195285220 /nfs/dbraw/zinc/28/52/20/195285220.db2.gz FWLHXXLBQYGGFD-QFIPXVFZSA-N 0 0 475.607 4.459 50 0 JIAARN COC(=O)c1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000021156853 195285404 /nfs/dbraw/zinc/28/54/04/195285404.db2.gz SSXJMKOKOSDLHL-UHFFFAOYSA-N 0 0 458.474 4.013 50 0 JIAARN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1=O ZINC000021170640 195289531 /nfs/dbraw/zinc/28/95/31/195289531.db2.gz ZOTRIYSYBCXSHO-VWLOTQADSA-N 0 0 478.549 4.203 50 0 JIAARN COc1ccccc1[C@@H]1OCC(C)(C)n2c(-c3ccc(Cl)cc3)c3c(c21)n(C)c(=O)n(C)c3=O ZINC000021176359 195290023 /nfs/dbraw/zinc/29/00/23/195290023.db2.gz XOQKGVXPGVEMKA-QHCPKHFHSA-N 0 0 479.964 4.222 50 0 JIAARN CCCOc1c(Cl)cc(C(=O)Nc2nnc(SCC(=O)OCC)s2)cc1OCC ZINC000021247434 195292079 /nfs/dbraw/zinc/29/20/79/195292079.db2.gz YWMKFRGUJZMYGY-UHFFFAOYSA-N 0 0 459.977 4.287 50 0 JIAARN CCCn1c(CSc2nc3ccccc3c(=O)n2CCC)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000021249723 195292374 /nfs/dbraw/zinc/29/23/74/195292374.db2.gz WXMGULJURLJMCU-UHFFFAOYSA-N 0 0 499.662 4.109 50 0 JIAARN CCN1CCc2nc(NC(=O)c3nc(-c4cccs4)n(-c4cccc(F)c4)n3)sc2C1 ZINC000021296955 195293384 /nfs/dbraw/zinc/29/33/84/195293384.db2.gz JTZAZHXILQLZDE-UHFFFAOYSA-N 0 0 454.556 4.222 50 0 JIAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1OCC ZINC000021308765 195294122 /nfs/dbraw/zinc/29/41/22/195294122.db2.gz PJTRSABBINHYPF-UHFFFAOYSA-N 0 0 456.930 4.238 50 0 JIAARN O=C(COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)N1CCSc2ccccc21 ZINC000021328569 195294423 /nfs/dbraw/zinc/29/44/23/195294423.db2.gz FOKQEAYTPAPGQP-VQTJNVASSA-N 0 0 464.587 4.064 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccccc2CC)c2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000021350735 195296280 /nfs/dbraw/zinc/29/62/80/195296280.db2.gz AXDFFBTUIPNPMP-XMMPIXPASA-N 0 0 459.550 4.034 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2ncnn2[C@H]1c1ccc(C)cc1 ZINC000021350773 195296333 /nfs/dbraw/zinc/29/63/33/195296333.db2.gz BBLZXCNUBXKMNR-QHCPKHFHSA-N 0 0 479.968 4.434 50 0 JIAARN CC(=O)Nc1nc2ccc(CCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2s1 ZINC000021352883 195297053 /nfs/dbraw/zinc/29/70/53/195297053.db2.gz XEXBSYIICZIIPZ-UHFFFAOYSA-N 0 0 456.999 4.498 50 0 JIAARN CC(=O)c1cccc(NC(=O)CSc2nccnc2N2CCN(c3cccc(C)c3C)CC2)c1 ZINC000021363802 195299394 /nfs/dbraw/zinc/29/93/94/195299394.db2.gz LIXRIAUYNGXNTQ-UHFFFAOYSA-N 0 0 475.618 4.353 50 0 JIAARN Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCCCC3)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000021374167 195300397 /nfs/dbraw/zinc/30/03/97/195300397.db2.gz VQQLMFSDRLIUCG-SFHVURJKSA-N 0 0 463.621 4.225 50 0 JIAARN COc1ccc(-c2nc(CSc3n[nH]c(=O)n3CCc3ccccc3)cs2)cc1OC ZINC000021371095 195300484 /nfs/dbraw/zinc/30/04/84/195300484.db2.gz UGBNZXQZRBBERV-UHFFFAOYSA-N 0 0 454.577 4.247 50 0 JIAARN CCOC(=O)Cc1csc(S[C@@H](C)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)n1 ZINC000021450355 195301480 /nfs/dbraw/zinc/30/14/80/195301480.db2.gz NJPMQCQKLLYHMY-LBPRGKRZSA-N 0 0 482.649 4.485 50 0 JIAARN CC1(C)Cc2cccc(OCC(=O)OCC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)c2O1 ZINC000021467299 195302282 /nfs/dbraw/zinc/30/22/82/195302282.db2.gz VFEOZFCPHYHYQX-UHFFFAOYSA-N 0 0 453.491 4.002 50 0 JIAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1cc(OC)ccc1OC ZINC000021473630 195302455 /nfs/dbraw/zinc/30/24/55/195302455.db2.gz JDTBMVWPFBNYIN-UHFFFAOYSA-N 0 0 461.367 4.050 50 0 JIAARN CC(=O)N(c1nc(COC(=O)CCc2c(C)nc3ncnn3c2C)cs1)c1cccc(Cl)c1 ZINC000021476892 195302548 /nfs/dbraw/zinc/30/25/48/195302548.db2.gz DVXHJPIZBCLXKT-UHFFFAOYSA-N 0 0 484.969 4.212 50 0 JIAARN COc1ccc(S(=O)(=O)c2cnc3cc(OC)c(OC)cc3c2N2CCC(C)CC2)cc1 ZINC000021522569 195303632 /nfs/dbraw/zinc/30/36/32/195303632.db2.gz LIMITLCGDKYXHV-UHFFFAOYSA-N 0 0 456.564 4.330 50 0 JIAARN COc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1cnccn1)c1cccs1 ZINC000021523311 195303795 /nfs/dbraw/zinc/30/37/95/195303795.db2.gz CVKZZDFGVGYCDX-QFIPXVFZSA-N 0 0 450.564 4.384 50 0 JIAARN COc1ccc(Br)cc1[C@H]1SCC(=O)Nc2c1c(C)nn2-c1nc(C)cc(C)n1 ZINC000021523803 195304082 /nfs/dbraw/zinc/30/40/82/195304082.db2.gz LFNWLMSZLRIPNQ-GOSISDBHSA-N 0 0 474.384 4.133 50 0 JIAARN Cc1ccccc1C(=O)N1CCC(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000021524545 195304420 /nfs/dbraw/zinc/30/44/20/195304420.db2.gz BSVBUSATFPLFOV-UHFFFAOYSA-N 0 0 494.595 4.313 50 0 JIAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1 ZINC000021533625 195310199 /nfs/dbraw/zinc/31/01/99/195310199.db2.gz SMVFWBWJLSZTNY-UHFFFAOYSA-N 0 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JIAARN CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)N[C@H](C)c2ccc3cc(OC)ccc3c2)c1=O ZINC000012281581 519901827 /nfs/dbraw/zinc/90/18/27/519901827.db2.gz YPOZTIJTMVGGMC-LJQANCHMSA-N 0 0 483.568 4.299 50 0 JIAARN CC(C)n1cc(C(=O)NCc2nc(-c3ccccc3)cs2)c(=O)c(C(=O)NC(C)(C)C)c1 ZINC000014888934 519944765 /nfs/dbraw/zinc/94/47/65/519944765.db2.gz PVGVAJMFYSXWDU-UHFFFAOYSA-N 0 0 452.580 4.011 50 0 JIAARN CCNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3c(C)c(C)ccc23)cc1 ZINC000006244833 520053923 /nfs/dbraw/zinc/05/39/23/520053923.db2.gz QFCKEMUHSPGSNQ-UHFFFAOYSA-N 0 0 460.559 4.464 50 0 JIAARN CCCCCCOc1ccc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1OC ZINC000013514470 520102206 /nfs/dbraw/zinc/10/22/06/520102206.db2.gz XKESJSITGKDUGN-QNGOZBTKSA-N 0 0 453.539 4.473 50 0 JIAARN CCCCCCc1ccc(C(=O)N(CCOC)CC(=O)N2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000016613285 520137717 /nfs/dbraw/zinc/13/77/17/520137717.db2.gz JXSHJJQYHDULNA-UHFFFAOYSA-N 0 0 479.621 4.039 50 0 JIAARN CCCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000045899683 520197952 /nfs/dbraw/zinc/19/79/52/520197952.db2.gz LVJZLBXNNRSKMW-UHFFFAOYSA-N 0 0 473.548 4.189 50 0 JIAARN CC1(C(=O)N2CCC([C@]3(c4cccnc4)NC(=O)N(Cc4ccsc4)C3=O)CC2)CCCCC1 ZINC000012247604 520212079 /nfs/dbraw/zinc/21/20/79/520212079.db2.gz YSFWUCIANXDUHW-AREMUKBSSA-N 0 0 480.634 4.299 50 0 JIAARN CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccc(F)cc1)n2C ZINC000046017589 520297932 /nfs/dbraw/zinc/29/79/32/520297932.db2.gz KAPDGRFEEFJFIK-GOSISDBHSA-N 0 0 483.565 4.483 50 0 JIAARN CCN(CC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1)C(=O)c1ccccc1 ZINC000036071302 520313968 /nfs/dbraw/zinc/31/39/68/520313968.db2.gz WDRMVFAPHWAGKF-UHFFFAOYSA-N 0 0 498.414 4.261 50 0 JIAARN CCN(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000036062580 520315952 /nfs/dbraw/zinc/31/59/52/520315952.db2.gz BNSCHPGGGJAJSH-UHFFFAOYSA-N 0 0 498.414 4.261 50 0 JIAARN CCCOc1ccc(Br)cc1[C@@H]1C(C(=O)OCc2ccccc2)C(C)=Nc2nnnn21 ZINC000020069196 520325898 /nfs/dbraw/zinc/32/58/98/520325898.db2.gz ITEMIGDXVSLFMS-HXUWFJFHSA-N 0 0 484.354 4.257 50 0 JIAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000012486056 520351907 /nfs/dbraw/zinc/35/19/07/520351907.db2.gz NLENJILBXYQAAC-MRXNPFEDSA-N 0 0 452.363 4.284 50 0 JIAARN CCCOc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)C2)cc1 ZINC000064928892 520361102 /nfs/dbraw/zinc/36/11/02/520361102.db2.gz LYPKFPUBVFTEEQ-FQEVSTJZSA-N 0 0 480.996 4.208 50 0 JIAARN CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C(C)C)cc1)C(=O)COC ZINC000036052077 520371530 /nfs/dbraw/zinc/37/15/30/520371530.db2.gz KSQATCSZNOXTFS-UHFFFAOYSA-N 0 0 464.566 4.105 50 0 JIAARN CCCOc1ccc(Cn2c3nn(Cc4ccccc4C)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946612 520381429 /nfs/dbraw/zinc/38/14/29/520381429.db2.gz STHQABOZDIQHIG-UHFFFAOYSA-N 0 0 460.559 4.066 50 0 JIAARN CCCCN(C)C(=O)Cn1cnc2sc(-c3nc(-c4ccccc4Cl)no3)c(C)c2c1=O ZINC000049001710 520382613 /nfs/dbraw/zinc/38/26/13/520382613.db2.gz WLAKFKSWLCOXLL-UHFFFAOYSA-N 0 0 471.970 4.395 50 0 JIAARN CCOC(=O)C(=Cc1ccc(OC(F)F)c(OC)c1)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000033684954 520391947 /nfs/dbraw/zinc/39/19/47/520391947.db2.gz UTURQDHMEMTWMV-MDWZMJQESA-N 0 0 450.463 4.315 50 0 JIAARN CC1(C)CCc2c(cc(OCC(=O)NC[C@H](O)c3ccccc3)c3c4c(c(=O)oc23)CCCC4)O1 ZINC000008791714 520413242 /nfs/dbraw/zinc/41/32/42/520413242.db2.gz ZDAFHRRAKCHIIS-NRFANRHFSA-N 0 0 477.557 4.004 50 0 biogenic JIAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000036069935 520439879 /nfs/dbraw/zinc/43/98/79/520439879.db2.gz SGAJKRKNNKRSRJ-UHFFFAOYSA-N 0 0 489.595 4.182 50 0 JIAARN CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@H]1c1c(C)nn(-c2ccc(Cl)cc2)c1Cl ZINC000002916520 520471861 /nfs/dbraw/zinc/47/18/61/520471861.db2.gz SALMOYYMVCHBKI-AWEZNQCLSA-N 0 0 487.269 4.473 50 0 JIAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(NC(=O)Nc2ccc(OC)cc2)cc1 ZINC000016609992 520475742 /nfs/dbraw/zinc/47/57/42/520475742.db2.gz CHRDJOXIQWPDSW-FQEVSTJZSA-N 0 0 454.552 4.037 50 0 JIAARN CCOC(=O)C1=C(C)N=C2SCCCN2[C@@H]1c1ccc(NC(=O)COc2ccccc2)cc1 ZINC000016613693 520479504 /nfs/dbraw/zinc/47/95/04/520479504.db2.gz DBLWQTNUTYYPIH-HSZRJFAPSA-N 0 0 465.575 4.391 50 0 JIAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000027527393 520491967 /nfs/dbraw/zinc/49/19/67/520491967.db2.gz FAIWWBPNLQBNGX-LJQANCHMSA-N 0 0 475.339 4.228 50 0 JIAARN CCN(CC)C(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036213539 520524346 /nfs/dbraw/zinc/52/43/46/520524346.db2.gz IOEJRPUCWRNXKN-FQEVSTJZSA-N 0 0 477.030 4.312 50 0 JIAARN CCOC(=O)C1=C(COc2ccccc2F)N(C)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000036083604 520525643 /nfs/dbraw/zinc/52/56/43/520525643.db2.gz MUTJZOLKNODUSP-LJQANCHMSA-N 0 0 452.404 4.437 50 0 JIAARN CCOC(=O)C1=C(CSc2nnc(Nc3ccccc3CC)s2)NC(=O)N[C@@H]1c1ccco1 ZINC000024032677 520528540 /nfs/dbraw/zinc/52/85/40/520528540.db2.gz LUHHINNAVDTOEO-GOSISDBHSA-N 0 0 485.591 4.401 50 0 JIAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1cccs1 ZINC000016157839 520541505 /nfs/dbraw/zinc/54/15/05/520541505.db2.gz ZZALFGIAXXTPQR-IYYMRFBLSA-N 0 0 478.620 4.059 50 0 JIAARN CCOC(=O)C1=NN(c2ccccc2OC)[C@@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 ZINC000002437016 520544721 /nfs/dbraw/zinc/54/47/21/520544721.db2.gz AJVZZDNJYOQHLL-HSZRJFAPSA-N 0 0 485.587 4.394 50 0 JIAARN CCCSCCCNC(=O)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000008590995 520564480 /nfs/dbraw/zinc/56/44/80/520564480.db2.gz IQKVGUDITCIVGX-UHFFFAOYSA-N 0 0 461.632 4.463 50 0 JIAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc(Nc3c(C)cccc3CC)s2)CC1 ZINC000016328155 520565406 /nfs/dbraw/zinc/56/54/06/520565406.db2.gz RRDBXMVFHFNRBR-OAHLLOKOSA-N 0 0 462.641 4.435 50 0 JIAARN CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(Nc3c(C)cccc3CC)s2)CC1 ZINC000016328156 520567133 /nfs/dbraw/zinc/56/71/33/520567133.db2.gz RRDBXMVFHFNRBR-HNNXBMFYSA-N 0 0 462.641 4.435 50 0 JIAARN CCCCN1CC(=O)N2C[C@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789907 520567854 /nfs/dbraw/zinc/56/78/54/520567854.db2.gz BKRXTAIWPPBZMF-WINIVTDRSA-N 0 0 461.562 4.017 50 0 biogenic JIAARN CC1(C)Cc2c(sc3c2c2nc(-c4cccs4)nn2c(=O)n3CC(=O)Nc2ccccc2)CO1 ZINC000012389437 520576434 /nfs/dbraw/zinc/57/64/34/520576434.db2.gz NBTHRZPCNPPOMW-UHFFFAOYSA-N 0 0 491.598 4.324 50 0 JIAARN CC1(C)Cc2c(sc3c2c(=O)n(CCc2ccccc2)c(=O)n3CC(=O)c2ccccc2)CO1 ZINC000008769897 520576925 /nfs/dbraw/zinc/57/69/25/520576925.db2.gz MDXJNVZWFUOAAS-UHFFFAOYSA-N 0 0 474.582 4.202 50 0 JIAARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3[nH]cnc1=NNc1ccccc1 ZINC000018105721 520580631 /nfs/dbraw/zinc/58/06/31/520580631.db2.gz KLSLQYQPPWFNNC-UHFFFAOYSA-N 0 0 462.579 4.366 50 0 JIAARN CC1(C)Cc2nc3nc(SCC(=O)Nc4ccccc4)n(-c4ccccc4)c(=O)c3cc2CO1 ZINC000002334878 520585779 /nfs/dbraw/zinc/58/57/79/520585779.db2.gz SURJLUROENGXQJ-UHFFFAOYSA-N 0 0 472.570 4.363 50 0 JIAARN CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000021712496 520659037 /nfs/dbraw/zinc/65/90/37/520659037.db2.gz GLHOLEBZAYNJEA-FQEVSTJZSA-N 0 0 472.383 4.222 50 0 JIAARN CCOc1cc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)OC)c2)cc(OCC)c1OCC ZINC000016688387 520661834 /nfs/dbraw/zinc/66/18/34/520661834.db2.gz DTGXGTVYLOWOFM-UHFFFAOYSA-N 0 0 480.970 4.450 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Sc2cc(C)nc(C(C)C)n2)ccc1C ZINC000016454143 520786161 /nfs/dbraw/zinc/78/61/61/520786161.db2.gz IAFURFGBRIYKLY-QGZVFWFLSA-N 0 0 464.657 4.367 50 0 JIAARN CCOc1cc2c(cc1NC(=O)CCn1cnc3sc4c(c3c1=O)CCCC4)O[C@H](C)C2 ZINC000016303279 520794108 /nfs/dbraw/zinc/79/41/08/520794108.db2.gz BYOSSLZYUJUAKO-CQSZACIVSA-N 0 0 453.564 4.088 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)c(NC(=O)CCN2CCSC2=O)c1 ZINC000021668538 520807252 /nfs/dbraw/zinc/80/72/52/520807252.db2.gz IXOYBACNUMDBRA-UHFFFAOYSA-N 0 0 491.635 4.315 50 0 JIAARN CCOc1ccc(-c2cc3c(SCC(=O)NCc4ccc(OC)c(OC)c4)nccn3n2)cc1 ZINC000067290535 520809886 /nfs/dbraw/zinc/80/98/86/520809886.db2.gz GQWNKXMIPJOYSF-UHFFFAOYSA-N 0 0 478.574 4.221 50 0 JIAARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)n2c(=O)/c(=C\c3ccc(Cl)cc3)sc2=N1 ZINC000016700406 520822240 /nfs/dbraw/zinc/82/22/40/520822240.db2.gz WAHJZFKIBPMNQX-OBXYEHHASA-N 0 0 473.019 4.149 50 0 JIAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C\c3cccs3)sc2=N1 ZINC000016730135 520826481 /nfs/dbraw/zinc/82/64/81/520826481.db2.gz ZGEJCILNXZEYNI-YMFQVDJJSA-N 0 0 478.620 4.102 50 0 JIAARN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCn2nnc3ccccc3c2=O)cc1 ZINC000002658576 520833736 /nfs/dbraw/zinc/83/37/36/520833736.db2.gz BYVRBBQGVQSLDN-UHFFFAOYSA-N 0 0 470.558 4.112 50 0 JIAARN CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cc4ccccc4o3)C2=O)cc1OC ZINC000033469767 520849544 /nfs/dbraw/zinc/84/95/44/520849544.db2.gz ILPBKMZWVQHWFK-FYJGNVAPSA-N 0 0 466.515 4.306 50 0 JIAARN CCOC(=O)C[C@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)c1ccc(C)cc1 ZINC000012413152 520886311 /nfs/dbraw/zinc/88/63/11/520886311.db2.gz DXCIPDQNFCSPAD-IBGZPJMESA-N 0 0 499.416 4.167 50 0 JIAARN CCOc1ccc(C(=O)Cn2c3ccccc3c3nc(-c4cc(OC)cc(OC)c4)nn3c2=O)cc1 ZINC000064977871 520889899 /nfs/dbraw/zinc/88/98/99/520889899.db2.gz MKZGXVPNWPBHEQ-UHFFFAOYSA-N 0 0 484.512 4.010 50 0 JIAARN CCOc1ccc(C(=O)NCC(=O)N[C@@H](C)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000030785502 520906930 /nfs/dbraw/zinc/90/69/30/520906930.db2.gz RJLYFWGQYQUPEV-HNNXBMFYSA-N 0 0 474.483 4.205 50 0 JIAARN CCOC(=O)Cc1csc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)n1 ZINC000009784892 520909982 /nfs/dbraw/zinc/90/99/82/520909982.db2.gz CVBVXONNSRVDNS-UHFFFAOYSA-N 0 0 479.971 4.184 50 0 JIAARN CCOc1ccc(C(=O)c2cn(Cc3ccc(OC)cc3)c3cc4c(cc3c2=O)OCCO4)cc1 ZINC000002699233 520922452 /nfs/dbraw/zinc/92/24/52/520922452.db2.gz FTDFKJHKYNWODZ-UHFFFAOYSA-N 0 0 471.509 4.459 50 0 JIAARN CCOc1ccc(CN2C(=O)c3cc(C4CC4)nn3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021852552 520967880 /nfs/dbraw/zinc/96/78/80/520967880.db2.gz ILUULIGQQFHTSM-MHZLTWQESA-N 0 0 464.610 4.413 50 0 JIAARN CCOC(=O)N1CCc2c(nc(-c3ccc(F)cc3)n(CC(=O)Nc3cccc(Cl)c3C)c2=O)C1 ZINC000035457006 520971145 /nfs/dbraw/zinc/97/11/45/520971145.db2.gz HRGQZJYEPSFNLG-UHFFFAOYSA-N 0 0 498.942 4.165 50 0 JIAARN CCOc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5cccc(OC)c5)cc34)CC2)cc1 ZINC000033266702 520982465 /nfs/dbraw/zinc/98/24/65/520982465.db2.gz IAUHLPGMCKBYMF-UHFFFAOYSA-N 0 0 485.588 4.336 50 0 JIAARN CC1CCN(C(=O)c2ccc(OCc3nnc(C(=O)Nc4ccc(F)cc4)s3)cc2)CC1 ZINC000033114220 520990444 /nfs/dbraw/zinc/99/04/44/520990444.db2.gz ZYZRNWHEOGLTII-UHFFFAOYSA-N 0 0 454.527 4.381 50 0 JIAARN CCOc1ccc(CNc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1OC ZINC000033250474 521011685 /nfs/dbraw/zinc/01/16/85/521011685.db2.gz RPNKVWRNFOLGMN-UHFFFAOYSA-N 0 0 455.580 4.429 50 0 JIAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](c3nccn3C)c3ccc(Cl)cc3)cc2)CC1 ZINC000016262235 521030030 /nfs/dbraw/zinc/03/00/30/521030030.db2.gz JWFWAWBKTCBSJU-JOCHJYFZSA-N 0 0 487.025 4.014 50 0 JIAARN CCOc1ccc(NC(=O)CN(C)Cc2nn(-c3ccc(F)cc3)c3c2CCC3)cc1OCC ZINC000048366881 521058427 /nfs/dbraw/zinc/05/84/27/521058427.db2.gz BKMSFGCYJAKJIL-UHFFFAOYSA-N 0 0 466.557 4.368 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nnc3ccc(C(=O)Nc4cccc(C)c4)cn32)cc1 ZINC000033284295 521069514 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CCOC(=O)[C@H](OC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2)cc1)c1ccccc1 ZINC000016682202 521273257 /nfs/dbraw/zinc/27/32/57/521273257.db2.gz JQGYBGONPFOBRP-HSZRJFAPSA-N 0 0 452.528 4.263 50 0 JIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000040355466 521295959 /nfs/dbraw/zinc/29/59/59/521295959.db2.gz JJTXBVCLXZXICQ-LBPRGKRZSA-N 0 0 456.351 4.118 50 0 JIAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2c(Br)cc(C)cc2Br)n1 ZINC000006016361 521343293 /nfs/dbraw/zinc/34/32/93/521343293.db2.gz BREKHUHCJBYGPR-UHFFFAOYSA-N 0 0 475.206 4.287 50 0 JIAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)c2oc3ccc(OCC)cc3c2C)c(=O)[nH]c1=O ZINC000014623320 521368503 /nfs/dbraw/zinc/36/85/03/521368503.db2.gz OQOSXPIBJJPBJD-UHFFFAOYSA-N 0 0 470.570 4.065 50 0 JIAARN CCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000037526511 521371768 /nfs/dbraw/zinc/37/17/68/521371768.db2.gz OOQJZSIAKQUDAZ-UHFFFAOYSA-N 0 0 495.620 4.435 50 0 JIAARN CCCCn1c(SCc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)nnc1-c1ccc(OC)cc1 ZINC000009633892 521372931 /nfs/dbraw/zinc/37/29/31/521372931.db2.gz DZVHHVWQQWPXBY-UHFFFAOYSA-N 0 0 479.562 4.069 50 0 JIAARN CCCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(N3CCN(CCC)CC3)cc21 ZINC000008596209 521391441 /nfs/dbraw/zinc/39/14/41/521391441.db2.gz OAZGKHDVXZLRDL-UHFFFAOYSA-N 0 0 485.625 4.306 50 0 JIAARN CCOC(=O)c1c(NC(=O)[C@@](F)(OC)C(F)(F)F)sc2c1CCN(Cc1ccccc1)C2 ZINC000012413838 521410586 /nfs/dbraw/zinc/41/05/86/521410586.db2.gz GKASWJNGBXWXPH-HXUWFJFHSA-N 0 0 474.476 4.296 50 0 JIAARN CCOC(=O)c1c(NC(=S)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)sc2c1CC[C@@H](C)C2 ZINC000002157085 521413529 /nfs/dbraw/zinc/41/35/29/521413529.db2.gz RHFVCISMOVJBJZ-OWCLPIDISA-N 0 0 471.648 4.027 50 0 biogenic JIAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc3ncsc3c1)CN(C(=O)OCC)CC2 ZINC000009639356 521418939 /nfs/dbraw/zinc/41/89/39/521418939.db2.gz AHQZTCBIWZCWDI-UHFFFAOYSA-N 0 0 459.549 4.301 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)n(-c2ccc(OC)cc2)n1 ZINC000023448626 521424461 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QNHAZHRSQTXURI-UHFFFAOYSA-N 0 0 482.949 4.366 50 0 JIAARN CCCc1noc(Cn2cnc3c4ccccc4n(CC(=O)Nc4ccc(C)cc4Cl)c3c2=O)n1 ZINC000033281021 521590895 /nfs/dbraw/zinc/59/08/95/521590895.db2.gz ZQHIYQDDOQQUOH-UHFFFAOYSA-N 0 0 490.951 4.336 50 0 JIAARN CCOC(=O)c1sc2[nH]c([C@H](C)Nc3ccc(I)cc3)nc(=O)c2c1C ZINC000012521739 521619992 /nfs/dbraw/zinc/61/99/92/521619992.db2.gz YRGMHZWOOXLJCP-JTQLQIEISA-N 0 0 483.331 4.247 50 0 JIAARN CCCn1c(SCC(=O)NCCc2ccccc2)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000033114478 521633322 /nfs/dbraw/zinc/63/33/22/521633322.db2.gz AXXKEXXVETZZTJ-UHFFFAOYSA-N 0 0 460.603 4.263 50 0 JIAARN CCS(=O)(=O)Nc1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000033252994 521685225 /nfs/dbraw/zinc/68/52/25/521685225.db2.gz BYLMOHXPQGZDAM-UHFFFAOYSA-N 0 0 479.602 4.058 50 0 JIAARN CCNC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1 ZINC000036116552 521739376 /nfs/dbraw/zinc/73/93/76/521739376.db2.gz JQRRFJHWOVBZBR-NRFANRHFSA-N 0 0 494.057 4.283 50 0 JIAARN CCc1cccc(NC(=O)CC2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C(C)C)CC2)c1 ZINC000065086111 521748850 /nfs/dbraw/zinc/74/88/50/521748850.db2.gz QMWCLXOGVQPSFY-UHFFFAOYSA-N 0 0 485.606 4.167 50 0 JIAARN COC(=O)c1c(NC(=O)[C@H]2CCOC2)c2cc(NCC(C)C)cnc2n1CCCc1ccccc1 ZINC000014740849 521767766 /nfs/dbraw/zinc/76/77/66/521767766.db2.gz RKFAKICJFHMXGR-FQEVSTJZSA-N 0 0 478.593 4.499 50 0 JIAARN COC(=O)c1c(NC(=O)c2ccc(OC)cc2)c2cc(NC/C=C/c3ccco3)cnc2n1C ZINC000014746968 521770106 /nfs/dbraw/zinc/77/01/06/521770106.db2.gz CKBQWJMOUHOEPR-GQCTYLIASA-N 0 0 460.490 4.339 50 0 JIAARN CCSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)Nc1cc(C)ccc1C ZINC000049004113 521786812 /nfs/dbraw/zinc/78/68/12/521786812.db2.gz PXFUFXOTCJTXHX-UHFFFAOYSA-N 0 0 480.615 4.285 50 0 JIAARN COC(=O)c1cc(CNC(=O)[C@@H]2CCOC(C)(C)C2)cc(NC(=O)c2ccccc2Cl)c1 ZINC000014956509 521852180 /nfs/dbraw/zinc/85/21/80/521852180.db2.gz BHUUEWZEKYTDDM-MRXNPFEDSA-N 0 0 458.942 4.200 50 0 JIAARN CCc1ccccc1NC(=O)C1CCN(c2ccc(S(=O)(=O)c3ccc(C)cc3)nn2)CC1 ZINC000023118935 521861266 /nfs/dbraw/zinc/86/12/66/521861266.db2.gz ATLHTDRZGSBUIS-UHFFFAOYSA-N 0 0 464.591 4.035 50 0 JIAARN CC[C@@H](C(=O)Nc1cc(Cl)c(OC)cc1OC)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970841 521863788 /nfs/dbraw/zinc/86/37/88/521863788.db2.gz RURFZRISICMRBQ-IBGZPJMESA-N 0 0 495.967 4.459 50 0 JIAARN CC[C@@H](C(=O)Nc1cc(OC)ccc1OC)n1cnc2onc(-c3ccc(Cl)cc3)c2c1=O ZINC000033057700 521865347 /nfs/dbraw/zinc/86/53/47/521865347.db2.gz FQSAXXSCFNEXJY-KRWDZBQOSA-N 0 0 468.897 4.312 50 0 JIAARN COC(=O)c1cc(I)ccc1OS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002570932 521872028 /nfs/dbraw/zinc/87/20/28/521872028.db2.gz PYVAJQNLICTLIS-UHFFFAOYSA-N 0 0 487.098 4.152 50 0 JIAARN COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000064979462 521896407 /nfs/dbraw/zinc/89/64/07/521896407.db2.gz GIYQDXPKXBNEEZ-UHFFFAOYSA-N 0 0 481.496 4.188 50 0 JIAARN CCc1ccccc1S(=O)(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21 ZINC000033128534 521927197 /nfs/dbraw/zinc/92/71/97/521927197.db2.gz 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COc1cc(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1OC ZINC000026464721 522023222 /nfs/dbraw/zinc/02/32/22/522023222.db2.gz DHOKDJZOSHMUSZ-RQZCQDPDSA-N 0 0 491.363 4.450 50 0 JIAARN COc1cc(C(=O)N(C(C)C)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc(OC)c1OC ZINC000012382428 522051479 /nfs/dbraw/zinc/05/14/79/522051479.db2.gz INXIHLXUXYUMRF-QHCPKHFHSA-N 0 0 454.567 4.363 50 0 JIAARN CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1ccc(F)cc1 ZINC000036069506 522068551 /nfs/dbraw/zinc/06/85/51/522068551.db2.gz CICYRZYTKGSGRK-OAQYLSRUSA-N 0 0 489.595 4.181 50 0 JIAARN CC[C@H](C)n1cc(C(=O)N(C)CCOc2ccc(C)cc2)c(=O)c(C(=O)N2CCCCCC2)c1 ZINC000014981890 522070738 /nfs/dbraw/zinc/07/07/38/522070738.db2.gz UWLAYIQLHGJINY-NRFANRHFSA-N 0 0 467.610 4.295 50 0 JIAARN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COC(=O)c1cc(C)n(C2CC2)c1C ZINC000016694591 522073510 /nfs/dbraw/zinc/07/35/10/522073510.db2.gz MLMQARWOZFJGNA-QGZVFWFLSA-N 0 0 453.583 4.479 50 0 JIAARN COCCn1c(S[C@H](C)C(=O)NCC2CCCCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000008639862 522075813 /nfs/dbraw/zinc/07/58/13/522075813.db2.gz CCECHURPKKYRBJ-OAHLLOKOSA-N 0 0 463.669 4.160 50 0 JIAARN COCCn1c2ncc(NCc3ccc(OC)cc3OC)cc2c(NC(=O)CC(C)C)c1C(=O)OC ZINC000014740830 522076700 /nfs/dbraw/zinc/07/67/00/522076700.db2.gz FTKMTTVJRAWBCC-UHFFFAOYSA-N 0 0 498.580 4.083 50 0 JIAARN COc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1OCc1c(C)noc1C ZINC000018045177 522086544 /nfs/dbraw/zinc/08/65/44/522086544.db2.gz HZHIKCDFUIDAEI-UHFFFAOYSA-N 0 0 490.482 4.255 50 0 JIAARN CC[C@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(Cl)cc4F)CC3)ccc21 ZINC000033023211 522087848 /nfs/dbraw/zinc/08/78/48/522087848.db2.gz OAXZKOPMNGDMGP-AWEZNQCLSA-N 0 0 493.992 4.234 50 0 JIAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2cccc(F)c2)cc1 ZINC000009892300 522096720 /nfs/dbraw/zinc/09/67/20/522096720.db2.gz OMYHOSOZPJWQPC-QHCPKHFHSA-N 0 0 489.503 4.287 50 0 JIAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccc(F)c2)cc1 ZINC000009846553 522097340 /nfs/dbraw/zinc/09/73/40/522097340.db2.gz TXUPYMADHCANBY-QFIPXVFZSA-N 0 0 493.466 4.118 50 0 JIAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccccc2)cc1 ZINC000027522564 522098525 /nfs/dbraw/zinc/09/85/25/522098525.db2.gz QQTPUUSBRKJYCB-QFIPXVFZSA-N 0 0 491.544 4.143 50 0 JIAARN COC(=O)c1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)cc1 ZINC000033068166 522110838 /nfs/dbraw/zinc/11/08/38/522110838.db2.gz LMCDCXYUKSCSNE-UHFFFAOYSA-N 0 0 458.474 4.013 50 0 JIAARN COc1cc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(Cl)cc2)CC3)cc(OC)c1OC ZINC000064989663 522124577 /nfs/dbraw/zinc/12/45/77/522124577.db2.gz RAHYHBXGNVMQAM-UHFFFAOYSA-N 0 0 480.948 4.499 50 0 JIAARN COC(=O)c1ccc(OC)cc1CN1c2ccccc2S(=O)(=O)N(c2cc(F)ccc2F)C1=O ZINC000012414797 522141858 /nfs/dbraw/zinc/14/18/58/522141858.db2.gz ICWGIMLTCAKJFP-UHFFFAOYSA-N 0 0 488.468 4.096 50 0 JIAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)Nc4cccc(CC)c4)CC3)c2)no1 ZINC000033086730 522144639 /nfs/dbraw/zinc/14/46/39/522144639.db2.gz IXVYQBQRMZLVCZ-UHFFFAOYSA-N 0 0 482.606 4.209 50 0 JIAARN CCc1nc(-c2ccc(N3CCN(C(=O)Nc4cc(Cl)c(OC)cc4OC)CC3)cc2)no1 ZINC000033258197 522147508 /nfs/dbraw/zinc/14/75/08/522147508.db2.gz DPYBIQMOQCKNMB-UHFFFAOYSA-N 0 0 471.945 4.324 50 0 JIAARN COc1cc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)cc(OC)c1OC ZINC000004122855 522155659 /nfs/dbraw/zinc/15/56/59/522155659.db2.gz QNGLOZGCYRPFAQ-UHFFFAOYSA-N 0 0 489.572 4.236 50 0 JIAARN COc1cc(C(=O)Nc2ccccc2OCc2cc(=O)n3cc(Cl)ccc3n2)cc(OC)c1OC ZINC000033068235 522160661 /nfs/dbraw/zinc/16/06/61/522160661.db2.gz PIWHKKRFSYMMKD-UHFFFAOYSA-N 0 0 495.919 4.205 50 0 JIAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1F)C1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000036213786 522199965 /nfs/dbraw/zinc/19/99/65/522199965.db2.gz MXVGQTITDYMAJQ-JPYJTQIMSA-N 0 0 468.573 4.091 50 0 JIAARN COC(=O)c1cccc(NC(=O)/C(=C\c2ccc(OC)cc2)NC(=O)c2ccc(Br)o2)c1 ZINC000027528354 522218808 /nfs/dbraw/zinc/21/88/08/522218808.db2.gz ABUDAZLGATVUHE-LDADJPATSA-N 0 0 499.317 4.247 50 0 JIAARN CN(C)c1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cn1 ZINC000022420820 522234031 /nfs/dbraw/zinc/23/40/31/522234031.db2.gz PDBCKTVXNORQEC-QHCPKHFHSA-N 0 0 457.534 4.105 50 0 JIAARN CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2c[nH]c3ccccc32)cc1 ZINC000009467162 522249058 /nfs/dbraw/zinc/24/90/58/522249058.db2.gz YKGGHVJXHNIMOX-QFIPXVFZSA-N 0 0 477.586 4.116 50 0 JIAARN CN(C)c1cccc(C(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)c1 ZINC000033272940 522257403 /nfs/dbraw/zinc/25/74/03/522257403.db2.gz VMFMMOGKRYRJIP-UHFFFAOYSA-N 0 0 453.543 4.015 50 0 JIAARN COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C(C)c4cc(C)ccc4N3[C@@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000018097003 522270677 /nfs/dbraw/zinc/27/06/77/522270677.db2.gz MUCKZIZNUJMHAC-NAVOZUGXSA-N 0 0 486.568 4.177 50 0 JIAARN COC(=O)c1ccccc1NC(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccc(C)cc3n2)c1 ZINC000033068085 522280265 /nfs/dbraw/zinc/28/02/65/522280265.db2.gz ZCCPEOMYZLBJMD-UHFFFAOYSA-N 0 0 472.501 4.321 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC1CCCCC1 ZINC000043732336 522379158 /nfs/dbraw/zinc/37/91/58/522379158.db2.gz WBSYZTWNFIGSSA-BBOHXYNISA-N 0 0 457.640 4.015 50 0 JIAARN COc1cc(CNC(=O)C2CCN(c3nccnc3Oc3ccc(C)cc3)CC2)cc(OC)c1 ZINC000033288238 522407459 /nfs/dbraw/zinc/40/74/59/522407459.db2.gz HCTYWVFUITXHNF-UHFFFAOYSA-N 0 0 462.550 4.127 50 0 JIAARN COc1cc(CNC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc(OC)c1 ZINC000033288633 522427830 /nfs/dbraw/zinc/42/78/30/522427830.db2.gz QKGSBYYUKYYPAS-LJQANCHMSA-N 0 0 464.591 4.178 50 0 JIAARN COC(=O)c1sc(NC(=S)Nc2cccc(Cn3cc(Cl)cn3)c2)c(C(=O)OC)c1C ZINC000002853571 522429563 /nfs/dbraw/zinc/42/95/63/522429563.db2.gz ZMIAPRSCNKEHFP-UHFFFAOYSA-N 0 0 478.983 4.337 50 0 JIAARN CC[C@@H](C)c1ccccc1OC(=O)CSc1nc(-c2ccc(OC)cc2)nc2cc(=O)[nH]n21 ZINC000021885437 522434461 /nfs/dbraw/zinc/43/44/61/522434461.db2.gz DYPSWAHSEJSRLW-OAHLLOKOSA-N 0 0 464.547 4.304 50 0 JIAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCc1ccccc1Br ZINC000067239112 522450443 /nfs/dbraw/zinc/45/04/43/522450443.db2.gz AHFOQQQHUYTAGR-CYBMUJFWSA-N 0 0 463.401 4.175 50 0 JIAARN CN(CC(=O)Nc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000029376348 522506618 /nfs/dbraw/zinc/50/66/18/522506618.db2.gz DLIXPEJEXVJQLS-UHFFFAOYSA-N 0 0 475.920 4.218 50 0 JIAARN CN(CC(=O)Nc1ccccc1Br)C(=O)CCCSc1nc2ccccc2[nH]1 ZINC000012520326 522518192 /nfs/dbraw/zinc/51/81/92/522518192.db2.gz DJNANNYYVPNPBJ-UHFFFAOYSA-N 0 0 461.385 4.295 50 0 JIAARN CN(CC(=O)Nc1ccnn1C1CCCC1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000015441504 522520414 /nfs/dbraw/zinc/52/04/14/522520414.db2.gz MMTFKBKJZJHBKR-UHFFFAOYSA-N 0 0 457.884 4.179 50 0 JIAARN COc1cc(Cl)c(NC(=O)C2CCN(c3nc4ccccc4nc3OC)CC2)c(OC)c1 ZINC000033088294 522524366 /nfs/dbraw/zinc/52/43/66/522524366.db2.gz DYWCERPVJZTGHE-UHFFFAOYSA-N 0 0 456.930 4.164 50 0 JIAARN COc1cc(Cl)ccc1-c1nc(-c2ccc3c(c2)ncn3CCC(=O)N2CCCC2)no1 ZINC000035460153 522544795 /nfs/dbraw/zinc/54/47/95/522544795.db2.gz KBBLRSINQJYJJY-UHFFFAOYSA-N 0 0 451.914 4.428 50 0 JIAARN COc1cc(Cl)ccc1NC(=O)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2)cc1OC ZINC000008705593 522558552 /nfs/dbraw/zinc/55/85/52/522558552.db2.gz OEZQRVQKLYZPSI-HSZRJFAPSA-N 0 0 467.909 4.229 50 0 JIAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CCOC)C[C@@H](O)COC(C)C ZINC000036302873 522639057 /nfs/dbraw/zinc/63/90/57/522639057.db2.gz FJJOGOBJJIYGFA-HSZRJFAPSA-N 0 0 467.610 4.461 50 0 JIAARN COc1cc(NC(=O)C2CC2)ccc1OCCCOc1ccc(NC(=O)C2CC2)cc1OC ZINC000012419327 522647802 /nfs/dbraw/zinc/64/78/02/522647802.db2.gz YAPFDTSMVMVAPO-UHFFFAOYSA-N 0 0 454.523 4.249 50 0 JIAARN COc1cc(NC(=O)C2CCN(c3nnc(C)c4c(C)n(-c5ccccc5)nc43)CC2)cc(OC)c1 ZINC000008593857 522648364 /nfs/dbraw/zinc/64/83/64/522648364.db2.gz LTAMZTJCSRIUMG-UHFFFAOYSA-N 0 0 486.576 4.305 50 0 JIAARN COc1cc(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)c2ccccc2)cc(OC)c1OC ZINC000033127868 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COc1ccccc1NC(=O)CSc1nnc(NC(=O)c2ccccc2Br)s1 ZINC000000681244 553753802 /nfs/dbraw/zinc/75/38/02/553753802.db2.gz NLKCVLMYCFOIPK-UHFFFAOYSA-N 0 0 479.381 4.292 50 0 JIAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)OC)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000000684624 553755829 /nfs/dbraw/zinc/75/58/29/553755829.db2.gz RKMDGGSFHCHKTR-NRFANRHFSA-N 0 0 450.520 4.271 50 0 JIAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2C)c1 ZINC000000686471 553756532 /nfs/dbraw/zinc/75/65/32/553756532.db2.gz WFXXAYKSLLTXCN-UHFFFAOYSA-N 0 0 464.378 4.091 50 0 JIAARN O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1sc2ccccc2c1Cl ZINC000000692110 553759166 /nfs/dbraw/zinc/75/91/66/553759166.db2.gz ZQGDYHQRCNDDFB-CQSZACIVSA-N 0 0 450.969 4.264 50 0 JIAARN Cc1nc(C)c(Cc2ccccc2)c(N2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC000000694109 553759577 /nfs/dbraw/zinc/75/95/77/553759577.db2.gz DPPNFOHVSJFMOK-UHFFFAOYSA-N 0 0 465.395 4.409 50 0 JIAARN COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)ccc1OCc1ccccc1 ZINC000000703578 553762761 /nfs/dbraw/zinc/76/27/61/553762761.db2.gz YTQHVPIZJVEYDI-DEOSSOPVSA-N 0 0 468.517 4.188 50 0 JIAARN COc1ccc(CCN2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)cc1OC ZINC000000707123 553764056 /nfs/dbraw/zinc/76/40/56/553764056.db2.gz GIPFRWHEHPBODT-OKHMJZBSSA-N 0 0 453.538 4.313 50 0 JIAARN O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccccc1I ZINC000000724594 553773503 /nfs/dbraw/zinc/77/35/03/553773503.db2.gz YLUSOUKZBRFSTB-UHFFFAOYSA-N 0 0 450.223 4.437 50 0 JIAARN O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C/c1cc2c(cc1Br)OCO2 ZINC000000728534 553774818 /nfs/dbraw/zinc/77/48/18/553774818.db2.gz WSDPYAVCNCWCTQ-QLKAYGNNSA-N 0 0 451.616 4.084 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Br)oc2N2CCOCC2)cc1 ZINC000000730278 553775630 /nfs/dbraw/zinc/77/56/30/553775630.db2.gz UIYGQPOFQNZZST-UHFFFAOYSA-N 0 0 463.353 4.082 50 0 JIAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccc3c[nH]nc3c2)cc1 ZINC000000731812 553775843 /nfs/dbraw/zinc/77/58/43/553775843.db2.gz HVOFROJIEWXOKC-UHFFFAOYSA-N 0 0 457.515 4.001 50 0 JIAARN CCOc1ccc(-n2c(=O)c3c(nc2SCC(=O)N2CCCc4ccccc42)CCS3)cc1 ZINC000000755471 553777735 /nfs/dbraw/zinc/77/77/35/553777735.db2.gz XORVFAKUMKUSFA-UHFFFAOYSA-N 0 0 479.627 4.351 50 0 JIAARN COc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000000755278 553777787 /nfs/dbraw/zinc/77/77/87/553777787.db2.gz DOZRYYGHKJJWJE-CYBMUJFWSA-N 0 0 457.621 4.184 50 0 JIAARN CCOC(=O)c1sc(NC(=O)[C@H](CC)OC(=O)c2c3c(nc4ccccc42)CCC3)nc1C ZINC000000781745 553780244 /nfs/dbraw/zinc/78/02/44/553780244.db2.gz HYCMETSJNSALGS-SFHVURJKSA-N 0 0 467.547 4.239 50 0 JIAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1 ZINC000000783927 553780491 /nfs/dbraw/zinc/78/04/91/553780491.db2.gz UGZCDBYNYPKCCR-UHFFFAOYSA-N 0 0 476.913 4.084 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)n1C ZINC000000786232 553781286 /nfs/dbraw/zinc/78/12/86/553781286.db2.gz OQYVUMUZXWMKSP-UHFFFAOYSA-N 0 0 462.531 4.065 50 0 JIAARN CCSc1nnc2c(n1)O[C@@H](c1cc3c(cc1Cl)OCO3)N(C(C)=O)c1ccccc1-2 ZINC000000795636 553782381 /nfs/dbraw/zinc/78/23/81/553782381.db2.gz VICPJOSVYDUUII-FQEVSTJZSA-N 0 0 456.911 4.477 50 0 JIAARN CCOc1ccccc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000000821296 553786417 /nfs/dbraw/zinc/78/64/17/553786417.db2.gz CILKXCPNZLSGLF-UHFFFAOYSA-N 0 0 450.866 4.162 50 0 JIAARN COc1ccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000000824493 553787497 /nfs/dbraw/zinc/78/74/97/553787497.db2.gz ZNBOKUGYFIRFGW-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN O=C(NC[C@@H]1CCCO1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000000827086 553788876 /nfs/dbraw/zinc/78/88/76/553788876.db2.gz MHDMOYDLWNOVAF-VIFPVBQESA-N 0 0 475.290 4.148 50 0 JIAARN CCOC(=O)[C@@H](C)Oc1cc(O[C@@H](C)C(=O)OCC)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000000829482 553790089 /nfs/dbraw/zinc/79/00/89/553790089.db2.gz CSPOYJOHOGVMGD-CVEARBPZSA-N 0 0 454.475 4.121 50 0 biogenic JIAARN Cc1cccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4cccc(C)n4)C5=O)cc3C2=O)n1 ZINC000000830237 553790335 /nfs/dbraw/zinc/79/03/35/553790335.db2.gz YKFDYQYHVUZDME-UHFFFAOYSA-N 0 0 490.475 4.487 50 0 JIAARN O=C(N[C@@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000000836789 553792023 /nfs/dbraw/zinc/79/20/23/553792023.db2.gz JQOPOTAAZBPDEY-AWEZNQCLSA-N 0 0 453.178 4.458 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)OCO5)cc3n2)cc1 ZINC000000845018 553795424 /nfs/dbraw/zinc/79/54/24/553795424.db2.gz QMDFIJYZDTVWKB-UHFFFAOYSA-N 0 0 456.380 4.405 50 0 JIAARN CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccccc1OC ZINC000000846185 553796095 /nfs/dbraw/zinc/79/60/95/553796095.db2.gz SGGWXQSJGZNNEC-HXUWFJFHSA-N 0 0 461.518 4.103 50 0 JIAARN CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1Br ZINC000000857895 553801134 /nfs/dbraw/zinc/80/11/34/553801134.db2.gz OWNAQZLEILMPQM-UHFFFAOYSA-N 0 0 487.419 4.444 50 0 JIAARN O=C(Oc1ccc(Br)cc1C(=S)N1CCOCC1)c1ccc(Br)cc1 ZINC000000866338 553805638 /nfs/dbraw/zinc/80/56/38/553805638.db2.gz RNZZRFPPLGEWFW-UHFFFAOYSA-N 0 0 485.197 4.439 50 0 JIAARN COc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)NC[C@H]2CCCO2)cc1OC ZINC000000876699 553812965 /nfs/dbraw/zinc/81/29/65/553812965.db2.gz ZKSXRYCLGVZJEE-PIHGLKBESA-N 0 0 487.350 4.354 50 0 JIAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccncc2)cc1 ZINC000000877259 553813157 /nfs/dbraw/zinc/81/31/57/553813157.db2.gz PUYIMJWZSHXSRO-UHFFFAOYSA-N 0 0 487.581 4.416 50 0 JIAARN COc1ccc(CNC(=O)c2cnn3c2N[C@@H](c2cccc(OC)c2)C[C@H]3C(F)(F)F)cc1 ZINC000000884258 553822030 /nfs/dbraw/zinc/82/20/30/553822030.db2.gz JYGZHURTSQZMSV-UXHICEINSA-N 0 0 460.456 4.491 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 ZINC000000907338 553839966 /nfs/dbraw/zinc/83/99/66/553839966.db2.gz MKSKNXQUQXNBSK-UHFFFAOYSA-N 0 0 460.515 4.157 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cccnc3)n2)cc1OC ZINC000000919972 553851856 /nfs/dbraw/zinc/85/18/56/553851856.db2.gz OVDNFSDMBKYGTR-UHFFFAOYSA-N 0 0 450.442 4.305 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N(C)Cc3cnn(C)c3)n2)cc1 ZINC000000920539 553853266 /nfs/dbraw/zinc/85/32/66/553853266.db2.gz KMBOFMIXRWPFRT-UHFFFAOYSA-N 0 0 465.501 4.045 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c1 ZINC000000924654 553859918 /nfs/dbraw/zinc/85/99/18/553859918.db2.gz YBFQUFMGKVACAM-UHFFFAOYSA-N 0 0 461.547 4.136 50 0 JIAARN O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1ccccc1C(F)(F)F ZINC000000941736 553877267 /nfs/dbraw/zinc/87/72/67/553877267.db2.gz MGCBTMJCCDNOAF-OAQYLSRUSA-N 0 0 496.441 4.095 50 0 JIAARN Cc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1Cl ZINC000000941714 553877327 /nfs/dbraw/zinc/87/73/27/553877327.db2.gz OHSAOEOTOZANBC-JOCHJYFZSA-N 0 0 476.916 4.038 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Oc2ccc3c(c2)oc(=O)cc3C(F)(F)F)cc1 ZINC000000950441 553880994 /nfs/dbraw/zinc/88/09/94/553880994.db2.gz HSNDEROUJLOXBB-LJQANCHMSA-N 0 0 497.491 4.419 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Oc2ccc3c(c2)oc(=O)cc3C(F)(F)F)cc1 ZINC000000950440 553881035 /nfs/dbraw/zinc/88/10/35/553881035.db2.gz HSNDEROUJLOXBB-IBGZPJMESA-N 0 0 497.491 4.419 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1cnc3sc(CC)cc3c1=O)C[C@H](C)CC2 ZINC000000958872 553885039 /nfs/dbraw/zinc/88/50/39/553885039.db2.gz KWIOTCYJPPEFBK-GFCCVEGCSA-N 0 0 459.593 4.022 50 0 JIAARN CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)N3)C1 ZINC000000970742 553887180 /nfs/dbraw/zinc/88/71/80/553887180.db2.gz NMWGBMCKLXFLQQ-HXUWFJFHSA-N 0 0 453.951 4.463 50 0 JIAARN CCOc1ccccc1N(CC(=O)Nc1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000000972346 553887731 /nfs/dbraw/zinc/88/77/31/553887731.db2.gz XPFZLVKWVNTOJQ-UHFFFAOYSA-N 0 0 484.574 4.245 50 0 JIAARN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000972419 553888140 /nfs/dbraw/zinc/88/81/40/553888140.db2.gz IXJGKDUJRJEVIP-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000000983112 553892072 /nfs/dbraw/zinc/89/20/72/553892072.db2.gz QWRXLCQXSUVAJL-UHFFFAOYSA-N 0 0 452.532 4.167 50 0 JIAARN O=c1c(Cl)c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cnn1-c1cccc(Cl)n1 ZINC000000984217 553892860 /nfs/dbraw/zinc/89/28/60/553892860.db2.gz XEWFQYBQKDHXMD-UHFFFAOYSA-N 0 0 470.282 4.280 50 0 JIAARN O=C(Oc1ccccc1NC1=NS(=O)(=O)c2ccccc21)c1ccccc1Br ZINC000000991523 553895738 /nfs/dbraw/zinc/89/57/38/553895738.db2.gz DIQTVBKQVJXRSH-UHFFFAOYSA-N 0 0 457.305 4.229 50 0 JIAARN Cc1c(NC(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)c(=O)n(-c2ccccc2)n1C ZINC000001001090 553898608 /nfs/dbraw/zinc/89/86/08/553898608.db2.gz DDIBCOSKFNIYNB-UHFFFAOYSA-N 0 0 492.461 4.465 50 0 JIAARN COc1cc2nc(CSc3nnc(-c4ccccc4)n3-c3ccccc3)[nH]c(=O)c2cc1OC ZINC000001099667 553907827 /nfs/dbraw/zinc/90/78/27/553907827.db2.gz IBDMSQHTWPAIMT-UHFFFAOYSA-N 0 0 471.542 4.480 50 0 JIAARN COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 ZINC000001112426 553909454 /nfs/dbraw/zinc/90/94/54/553909454.db2.gz ZIUFWQDIQUVPGE-INIZCTEOSA-N 0 0 473.558 4.301 50 0 JIAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1 ZINC000001154671 553918188 /nfs/dbraw/zinc/91/81/88/553918188.db2.gz XWCUMXKSVTZFIC-UHFFFAOYSA-N 0 0 476.913 4.084 50 0 JIAARN O[C@@H](COc1ccc(I)cc1)Cn1c2ccccc2nc1C(F)(F)F ZINC000001154691 553918208 /nfs/dbraw/zinc/91/82/08/553918208.db2.gz RTRCQPUZXNAUGA-GFCCVEGCSA-N 0 0 462.209 4.100 50 0 JIAARN O[C@H](COc1ccc(I)cc1)Cn1c2ccccc2nc1C(F)(F)F ZINC000001154690 553918297 /nfs/dbraw/zinc/91/82/97/553918297.db2.gz RTRCQPUZXNAUGA-LBPRGKRZSA-N 0 0 462.209 4.100 50 0 JIAARN COc1cccc(N(CC(=O)Nc2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001171389 553922933 /nfs/dbraw/zinc/92/29/33/553922933.db2.gz WLMRUDGJTQUZSA-UHFFFAOYSA-N 0 0 454.548 4.155 50 0 JIAARN Cc1ccc(C)c(OCC(=O)NC(=S)Nc2ccc(I)cc2C)c1 ZINC000001783114 553988522 /nfs/dbraw/zinc/98/85/22/553988522.db2.gz FGKQOHBXYNTQJN-UHFFFAOYSA-N 0 0 454.333 4.108 50 0 JIAARN CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002064785 554019707 /nfs/dbraw/zinc/01/97/07/554019707.db2.gz UYCAQZXDAVCBFQ-HXUWFJFHSA-N 0 0 452.576 4.466 50 0 JIAARN CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002064783 554019737 /nfs/dbraw/zinc/01/97/37/554019737.db2.gz UYCAQZXDAVCBFQ-FQEVSTJZSA-N 0 0 452.576 4.466 50 0 JIAARN CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccc(OC)cc2)s1 ZINC000002074497 554023908 /nfs/dbraw/zinc/02/39/08/554023908.db2.gz ILDHCQAFQPCTQA-UHFFFAOYSA-N 0 0 482.591 4.096 50 0 JIAARN O=C1CN(Cc2ccc3c(c2)OCO3)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](CCc3ccccc3)N12 ZINC000002092933 554036492 /nfs/dbraw/zinc/03/64/92/554036492.db2.gz YZJCXRUNWHLEKM-RPBOFIJWSA-N 0 0 493.563 4.366 50 0 biogenic JIAARN CCCc1cc(=O)oc2cc(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)[C@H](C)CC)ccc12 ZINC000002093842 554037545 /nfs/dbraw/zinc/03/75/45/554037545.db2.gz WPAANRZIOHWEDO-MZNJEOGPSA-N 0 0 471.575 4.353 50 0 JIAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000002094796 554039001 /nfs/dbraw/zinc/03/90/01/554039001.db2.gz KNZVLUOZEKTOIU-MWTRTKDXSA-N 0 0 483.586 4.197 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2)c2ccccc2)cc1 ZINC000002095318 554039928 /nfs/dbraw/zinc/03/99/28/554039928.db2.gz XQYQYCYOSGGGHL-DEOSSOPVSA-N 0 0 477.538 4.343 50 0 biogenic JIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4F)CC(=O)N23)cc1OC ZINC000002098160 554041354 /nfs/dbraw/zinc/04/13/54/554041354.db2.gz SVHITQZHKFBHIQ-NEKDWFFYSA-N 0 0 499.542 4.209 50 0 biogenic JIAARN CCCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002103532 554044211 /nfs/dbraw/zinc/04/42/11/554044211.db2.gz GGSSOHAHFTZPNA-OLLUBJOZSA-N 0 0 462.631 4.077 50 0 JIAARN COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4cccs4)CC(=O)N32)c1 ZINC000002108170 554047952 /nfs/dbraw/zinc/04/79/52/554047952.db2.gz WQPXCHMOIGUJHS-NVQXNPDNSA-N 0 0 487.581 4.132 50 0 biogenic JIAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3ccccc3)CC(=O)N12 ZINC000002108705 554048492 /nfs/dbraw/zinc/04/84/92/554048492.db2.gz HRFWDBNLHBTJOZ-ABYGYWHVSA-N 0 0 479.580 4.494 50 0 biogenic JIAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCCc3ccccc3)CC(=O)N21 ZINC000002109044 554048808 /nfs/dbraw/zinc/04/88/08/554048808.db2.gz SPIGCRCQBZQDOP-SVEHJYQDSA-N 0 0 479.580 4.494 50 0 biogenic JIAARN CC[C@@H](C)N1CC(=O)N2[C@H](c3ccc(OC(C)C)c(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002109240 554049014 /nfs/dbraw/zinc/04/90/14/554049014.db2.gz WOMCBWAMDPTTPR-LGKCOBPISA-N 0 0 475.589 4.447 50 0 biogenic JIAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccccc3OC)CC(=O)N21 ZINC000002111143 554049944 /nfs/dbraw/zinc/04/99/44/554049944.db2.gz DKITYROPXBTOHL-OUTSHDOLSA-N 0 0 495.579 4.460 50 0 biogenic JIAARN CCOC(=O)[C@H](C)Oc1ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc2c1C ZINC000002129270 554059664 /nfs/dbraw/zinc/05/96/64/554059664.db2.gz HIDBWLGDIIOFQN-AWEZNQCLSA-N 0 0 450.443 4.214 50 0 biogenic JIAARN COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(C)cc4)CC(=O)N23)cc1 ZINC000002150495 554069224 /nfs/dbraw/zinc/06/92/24/554069224.db2.gz UGSCFZMIWBFQAK-LBNVMWSVSA-N 0 0 493.563 4.148 50 0 biogenic JIAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1 ZINC000002151869 554070176 /nfs/dbraw/zinc/07/01/76/554070176.db2.gz GQADJEOUCQOSLA-OYHNWAKOSA-N 0 0 457.548 4.017 50 0 JIAARN COc1cc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)cc(OC)c1 ZINC000002210260 554094708 /nfs/dbraw/zinc/09/47/08/554094708.db2.gz AKDBEKNNSXIKHQ-UHFFFAOYSA-N 0 0 480.546 4.246 50 0 JIAARN CCOC(=O)c1sc(NC(=S)NC(=O)c2cccc(Cl)c2)c(C(=O)OCC)c1C ZINC000002218806 554099509 /nfs/dbraw/zinc/09/95/09/554099509.db2.gz ZSUFDFYSSLKYMS-UHFFFAOYSA-N 0 0 454.957 4.190 50 0 JIAARN COc1ccc(CNC(=O)c2c(N)n(Cc3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000002222332 554101598 /nfs/dbraw/zinc/10/15/98/554101598.db2.gz IQJSHPLPJVKWQB-UHFFFAOYSA-N 0 0 455.493 4.293 50 0 JIAARN COc1ccccc1[C@@H](CCNC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(OC(C)C)cc1 ZINC000002263364 554123150 /nfs/dbraw/zinc/12/31/50/554123150.db2.gz JQRYOUNOAWVGOS-QFIPXVFZSA-N 0 0 486.568 4.417 50 0 JIAARN COc1ccc(CCn2c(N)c(C(=O)NCCc3ccccc3)c3nc4ccccc4nc32)cc1OC ZINC000002290955 554135195 /nfs/dbraw/zinc/13/51/95/554135195.db2.gz NVAHMVPIWKKDJA-UHFFFAOYSA-N 0 0 495.583 4.399 50 0 JIAARN O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000002328291 554150168 /nfs/dbraw/zinc/15/01/68/554150168.db2.gz VWMBOFOHCDXBDH-UHFFFAOYSA-N 0 0 465.922 4.442 50 0 JIAARN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(CC(C)C)s2)ccc1O ZINC000002333815 554152830 /nfs/dbraw/zinc/15/28/30/554152830.db2.gz SHJNCTVUEVOQBN-FQEVSTJZSA-N 0 0 463.515 4.307 50 0 JIAARN CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1NC(=O)c1ccccc1)CC(C)(C)OC3 ZINC000002355706 554163692 /nfs/dbraw/zinc/16/36/92/554163692.db2.gz GFZHUGQYDZICTQ-UHFFFAOYSA-N 0 0 495.601 4.413 50 0 JIAARN CCCOC(=O)c1ccc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002369029 554169381 /nfs/dbraw/zinc/16/93/81/554169381.db2.gz QCFYOAONKSSMOO-UHFFFAOYSA-N 0 0 459.550 4.499 50 0 JIAARN COc1ccc(CCn2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002368959 554169402 /nfs/dbraw/zinc/16/94/02/554169402.db2.gz MDRJIZAQWGKNDI-UHFFFAOYSA-N 0 0 451.530 4.348 50 0 JIAARN CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)cc1 ZINC000002371375 554170725 /nfs/dbraw/zinc/17/07/25/554170725.db2.gz QVBHEFVPIFYKRD-YCRREMRBSA-N 0 0 467.403 4.353 50 0 JIAARN CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3 ZINC000002371704 554170925 /nfs/dbraw/zinc/17/09/25/554170925.db2.gz GKLGJCUIFJNONP-NRFANRHFSA-N 0 0 483.586 4.341 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)c2ccccc2)cc1 ZINC000002376817 554173732 /nfs/dbraw/zinc/17/37/32/554173732.db2.gz XBQAKUBMBCZBHV-VWLOTQADSA-N 0 0 489.549 4.215 50 0 JIAARN CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc43)cc2)cc1 ZINC000002402129 554186604 /nfs/dbraw/zinc/18/66/04/554186604.db2.gz SBHBGYLSQRUSCM-UHFFFAOYSA-N 0 0 454.530 4.335 50 0 JIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002406863 554189113 /nfs/dbraw/zinc/18/91/13/554189113.db2.gz DOSMOIIBBHTCPF-QGZVFWFLSA-N 0 0 452.875 4.439 50 0 JIAARN COc1ccc(CCn2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)cc1OC ZINC000002417382 554196277 /nfs/dbraw/zinc/19/62/77/554196277.db2.gz OMRYTUBAUUTFCZ-UHFFFAOYSA-N 0 0 494.598 4.321 50 0 JIAARN COc1ccc(OC)c([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nnc(C)s2)c1 ZINC000002421225 554198401 /nfs/dbraw/zinc/19/84/01/554198401.db2.gz HAHNARCNZYLDKT-GOSISDBHSA-N 0 0 469.906 4.373 50 0 JIAARN COc1cc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)cc(OC)c1OC ZINC000002421517 554198781 /nfs/dbraw/zinc/19/87/81/554198781.db2.gz PNZBZUQRVZVSME-AWEZNQCLSA-N 0 0 467.909 4.321 50 0 JIAARN COc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCOC(C)C)cc(OC)c1OC ZINC000002424251 554200186 /nfs/dbraw/zinc/20/01/86/554200186.db2.gz IBJMYQBHABGGSQ-JOCHJYFZSA-N 0 0 485.508 4.318 50 0 JIAARN COc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000002430237 554204477 /nfs/dbraw/zinc/20/44/77/554204477.db2.gz NUGADGKMRXLXOH-UHFFFAOYSA-N 0 0 490.541 4.314 50 0 JIAARN CN(C)c1ccc(-n2c(N)c(C(=O)NCCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002439589 554209237 /nfs/dbraw/zinc/20/92/37/554209237.db2.gz MXWYHYZKUHEVPT-UHFFFAOYSA-N 0 0 450.546 4.194 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccco2)cc1 ZINC000002444260 554211804 /nfs/dbraw/zinc/21/18/04/554211804.db2.gz LLAOLYJSXRWBPX-UHFFFAOYSA-N 0 0 465.510 4.415 50 0 JIAARN CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2cn(CC)c3ccccc23)sc2c1CCCC2 ZINC000002461683 554223348 /nfs/dbraw/zinc/22/33/48/554223348.db2.gz INFYIXMTPWJFSA-UHFFFAOYSA-N 0 0 474.604 4.191 50 0 aggregator JIAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000002463940 554223901 /nfs/dbraw/zinc/22/39/01/554223901.db2.gz MMQPKNYTQDZNTF-UHFFFAOYSA-N 0 0 466.559 4.384 50 0 JIAARN O=C(Nc1ccc(F)cc1)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000002498857 554228976 /nfs/dbraw/zinc/22/89/76/554228976.db2.gz LZRHNGMUOMDHLP-UHFFFAOYSA-N 0 0 475.405 4.373 50 0 JIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000002498893 554229376 /nfs/dbraw/zinc/22/93/76/554229376.db2.gz UNQAFCRGVDNAIH-DJIMGWMZSA-N 0 0 485.469 4.095 50 0 JIAARN COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=N3)cc1 ZINC000002542251 554233791 /nfs/dbraw/zinc/23/37/91/554233791.db2.gz SIWNYTRIPRKPMG-DNQXCXABSA-N 0 0 454.461 4.417 50 0 JIAARN O=C(COc1ncnc2scc(-c3ccc(Cl)cc3)c21)NCc1ccc2c(c1)OCO2 ZINC000002616566 554241427 /nfs/dbraw/zinc/24/14/27/554241427.db2.gz CTJMORFYMKEMQF-UHFFFAOYSA-N 0 0 453.907 4.436 50 0 JIAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000002618483 554242977 /nfs/dbraw/zinc/24/29/77/554242977.db2.gz IRABZVHMGMHPHU-UHFFFAOYSA-N 0 0 450.922 4.190 50 0 JIAARN COc1ccc(-n2c(SCC(=O)N3CC(=O)Nc4ccccc43)nnc2-c2ccccc2)cc1 ZINC000002626895 554250341 /nfs/dbraw/zinc/25/03/41/554250341.db2.gz HQJUUXWWWXPYGM-UHFFFAOYSA-N 0 0 471.542 4.020 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)c1 ZINC000002633168 554254485 /nfs/dbraw/zinc/25/44/85/554254485.db2.gz XJVDDYXSQZJCMI-UHFFFAOYSA-N 0 0 457.939 4.376 50 0 JIAARN Cc1noc(C)c1COc1cccc(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1 ZINC000002638737 554258660 /nfs/dbraw/zinc/25/86/60/554258660.db2.gz CNOXAUQZWIVKHY-XKZIYDEJSA-N 0 0 495.532 4.476 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)cc2)cc1 ZINC000002641393 554260654 /nfs/dbraw/zinc/26/06/54/554260654.db2.gz HLQQYSACUPAZJI-OAQYLSRUSA-N 0 0 466.603 4.336 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1nnc(-c3ccncc3)o1)CC2 ZINC000002649696 554265833 /nfs/dbraw/zinc/26/58/33/554265833.db2.gz JXPKNEHGOZFDDZ-XMMPIXPASA-N 0 0 488.569 4.415 50 0 JIAARN O=C(COC(=O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1)Nc1ccc(F)c(F)c1F ZINC000002653002 554268850 /nfs/dbraw/zinc/26/88/50/554268850.db2.gz ONVQHSPACOKLHL-VAWYXSNFSA-N 0 0 490.459 4.312 50 0 JIAARN NS(=O)(=O)c1ccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000002659518 554273497 /nfs/dbraw/zinc/27/34/97/554273497.db2.gz SXRZVJRICAASBB-UHFFFAOYSA-N 0 0 451.331 4.472 50 0 JIAARN O=C(COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21)NC[C@@H]1CCCO1 ZINC000002665109 554278062 /nfs/dbraw/zinc/27/80/62/554278062.db2.gz JKTCGXBEYDILQW-KRWDZBQOSA-N 0 0 469.335 4.116 50 0 JIAARN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(C)cc4)c(=O)n32)cc1 ZINC000002680751 554281766 /nfs/dbraw/zinc/28/17/66/554281766.db2.gz RNBPIVWVLPXNAO-XOYGFPHKSA-N 0 0 478.639 4.217 50 0 JIAARN CCOc1ccc(S(=O)(=O)c2cn(Cc3ccccc3F)c3ccc(OC)cc3c2=O)cc1 ZINC000002687967 554283913 /nfs/dbraw/zinc/28/39/13/554283913.db2.gz WSABEBVCHMBTHU-UHFFFAOYSA-N 0 0 467.518 4.429 50 0 JIAARN COc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3cc4c(cc32)OCO4)c1 ZINC000002690169 554285479 /nfs/dbraw/zinc/28/54/79/554285479.db2.gz PYQHETQNGPVVAM-UHFFFAOYSA-N 0 0 484.508 4.225 50 0 JIAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(F)ccc32)cc1OC ZINC000002690691 554285933 /nfs/dbraw/zinc/28/59/33/554285933.db2.gz ZBLPSAIUMAZSFR-UHFFFAOYSA-N 0 0 474.488 4.336 50 0 JIAARN Cc1ccccc1NC(=O)Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(Cl)ccc21 ZINC000002691044 554286512 /nfs/dbraw/zinc/28/65/12/554286512.db2.gz GALGXUMQZYOQKJ-UHFFFAOYSA-N 0 0 466.946 4.435 50 0 JIAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccccc1 ZINC000002691399 554287102 /nfs/dbraw/zinc/28/71/02/554287102.db2.gz QJWCZEFCRNQLCT-UHFFFAOYSA-N 0 0 480.517 4.011 50 0 JIAARN O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(Cl)ccc21)Nc1ccccc1 ZINC000002691404 554287172 /nfs/dbraw/zinc/28/71/72/554287172.db2.gz VSJJQQMVXPFKQG-UHFFFAOYSA-N 0 0 470.909 4.266 50 0 JIAARN O=C(Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)ccc21)Nc1ccc(F)cc1 ZINC000002691677 554287641 /nfs/dbraw/zinc/28/76/41/554287641.db2.gz XZBCMTPTXNDYAB-UHFFFAOYSA-N 0 0 488.899 4.405 50 0 JIAARN Cc1cc(C)cc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(O)n2)c1 ZINC000002693949 554291599 /nfs/dbraw/zinc/29/15/99/554291599.db2.gz ORLGPRVUYYTYQZ-UHFFFAOYSA-N 0 0 463.968 4.016 50 0 JIAARN CCc1ccc(NC(=O)[C@H](CC)Sc2ncc(S(=O)(=O)c3ccc(C)cc3)c(O)n2)cc1 ZINC000002698656 554293193 /nfs/dbraw/zinc/29/31/93/554293193.db2.gz WOGMDIQBWWXHDE-IBGZPJMESA-N 0 0 471.604 4.395 50 0 JIAARN CCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000002704033 554294520 /nfs/dbraw/zinc/29/45/20/554294520.db2.gz WITQJJZOYDKJRJ-FGGAIWKESA-N 0 0 482.627 4.037 50 0 JIAARN CCOc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2S[C@@H](C)C(=O)OC)cc1 ZINC000002706368 554295570 /nfs/dbraw/zinc/29/55/70/554295570.db2.gz ASTQKLYFBVQQMS-HNNXBMFYSA-N 0 0 459.597 4.019 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2)C3=O)cc1 ZINC000002716346 554301900 /nfs/dbraw/zinc/30/19/00/554301900.db2.gz YYKDSWWAJMYWCC-UHFFFAOYSA-N 0 0 458.514 4.079 50 0 JIAARN Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2ccc(Br)cc2)[nH]c3=O)cc1C ZINC000002718066 554303096 /nfs/dbraw/zinc/30/30/96/554303096.db2.gz UTOXJAYDCUIYFA-UHFFFAOYSA-N 0 0 484.379 4.219 50 0 JIAARN Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21 ZINC000002722267 554308201 /nfs/dbraw/zinc/30/82/01/554308201.db2.gz YBPVHICIFGHVJW-UHFFFAOYSA-N 0 0 462.527 4.139 50 0 JIAARN O=C(CS(=O)(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccc2c(c1)OCCO2 ZINC000002722249 554308243 /nfs/dbraw/zinc/30/82/43/554308243.db2.gz JVVXQYVFQMWOLI-UHFFFAOYSA-N 0 0 480.517 4.012 50 0 JIAARN COc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)o1 ZINC000002723465 554309251 /nfs/dbraw/zinc/30/92/51/554309251.db2.gz VYHKQDQNRQEVCF-UHFFFAOYSA-N 0 0 486.594 4.300 50 0 JIAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(Cl)s4)o3)cc2)C1 ZINC000002723576 554309398 /nfs/dbraw/zinc/30/93/98/554309398.db2.gz ANPVALQQOZCNNK-LBPRGKRZSA-N 0 0 466.972 4.124 50 0 JIAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(Cl)s4)o3)cc2)CC1 ZINC000002723578 554309519 /nfs/dbraw/zinc/30/95/19/554309519.db2.gz ADIDZBGPMAWDOC-UHFFFAOYSA-N 0 0 466.972 4.124 50 0 JIAARN O=C(NCc1ccc2c(c1)OCO2)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 ZINC000002725481 554312119 /nfs/dbraw/zinc/31/21/19/554312119.db2.gz CMBKFXBLQXAEGR-UHFFFAOYSA-N 0 0 451.184 4.209 50 0 JIAARN O=C(CCS(=O)(=O)c1ccc2ccccc2c1)Nc1ncn(Cc2c(F)cccc2Cl)n1 ZINC000002731233 554315549 /nfs/dbraw/zinc/31/55/49/554315549.db2.gz DCEWGUDAEMNNEZ-UHFFFAOYSA-N 0 0 472.929 4.075 50 0 JIAARN Cc1cc(C)n(CCCn2c(=O)c3ccccc3nc2SCC(=O)Nc2ccc(C)cc2)n1 ZINC000002733914 554318578 /nfs/dbraw/zinc/31/85/78/554318578.db2.gz ZRPWRNZCGHPQNV-UHFFFAOYSA-N 0 0 461.591 4.339 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc3c4ccccc4n(CC)c3n1)CCC2 ZINC000002776596 554339862 /nfs/dbraw/zinc/33/98/62/554339862.db2.gz XZUAAERIEAYVGD-UHFFFAOYSA-N 0 0 481.603 4.457 50 0 JIAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ncn(Cc5ccccc5)n4)c3n2)cc1 ZINC000002794508 554350175 /nfs/dbraw/zinc/35/01/75/554350175.db2.gz IDJHAKQWALMIRS-UHFFFAOYSA-N 0 0 475.459 4.235 50 0 JIAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(-c4nc5c6cnn(C)c6ncn5n4)cc3N2)cc1C ZINC000002802755 554354297 /nfs/dbraw/zinc/35/42/97/554354297.db2.gz LWWOGJVSBRHTJH-DOTOQJQBSA-N 0 0 467.459 4.152 50 0 JIAARN O=C(NCCCn1cccn1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000002804946 554355550 /nfs/dbraw/zinc/35/55/50/554355550.db2.gz ROKCNWPCXAAYBL-UHFFFAOYSA-N 0 0 454.865 4.147 50 0 JIAARN CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000002812216 554360847 /nfs/dbraw/zinc/36/08/47/554360847.db2.gz KRSIGLQVJRELDK-INIZCTEOSA-N 0 0 459.340 4.398 50 0 JIAARN CS(=O)(=O)N(CC(=O)NCCSCc1c(Cl)cccc1Cl)c1ccccc1Cl ZINC000002814696 554362195 /nfs/dbraw/zinc/36/21/95/554362195.db2.gz BEECYQJDPQJCOQ-UHFFFAOYSA-N 0 0 481.854 4.462 50 0 JIAARN COCCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1ccccc1 ZINC000002838387 554371342 /nfs/dbraw/zinc/37/13/42/554371342.db2.gz OOOBYQPPPOMKNJ-UHFFFAOYSA-N 0 0 461.385 4.393 50 0 JIAARN CCCOc1cc(/C=C2\N=C(c3cccc(I)c3)OC2=O)ccc1OC ZINC000002844782 554375453 /nfs/dbraw/zinc/37/54/53/554375453.db2.gz ZLYOIIZUPIYTJV-YBEGLDIGSA-N 0 0 463.271 4.433 50 0 JIAARN 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ZINC000009433017 555202869 /nfs/dbraw/zinc/20/28/69/555202869.db2.gz SCBOLWXFANGRFQ-FCHUYYIVSA-N 0 0 454.592 4.050 50 0 biogenic JIAARN CCOC(=O)N1CCC(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)CC1 ZINC000009433185 555203217 /nfs/dbraw/zinc/20/32/17/555203217.db2.gz CUVJPCOLIVUCEF-PKTZIBPZSA-N 0 0 483.634 4.422 50 0 JIAARN COc1ccccc1NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cc(Cl)ccc1C ZINC000009434229 555205130 /nfs/dbraw/zinc/20/51/30/555205130.db2.gz IUUXOFLEMCMSDO-UHFFFAOYSA-N 0 0 468.970 4.238 50 0 JIAARN COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4cc(Cl)c(OC)cc4oc3=O)c2c1 ZINC000009435730 555207403 /nfs/dbraw/zinc/20/74/03/555207403.db2.gz BLKOTQVFYGBALX-UHFFFAOYSA-N 0 0 454.910 4.155 50 0 JIAARN O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)COC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000009441201 555211862 /nfs/dbraw/zinc/21/18/62/555211862.db2.gz BZMSJRHEUYWYHX-UHFFFAOYSA-N 0 0 479.312 4.275 50 0 JIAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(Cl)cn3)n2C[C@H]2CCCO2)cc1 ZINC000009441415 555212043 /nfs/dbraw/zinc/21/20/43/555212043.db2.gz WSSFWBJRWUDFGI-RDTXWAMCSA-N 0 0 473.986 4.300 50 0 JIAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCC(c2ccccc2)c2ccccc2)C1=O ZINC000009442833 555215433 /nfs/dbraw/zinc/21/54/33/555215433.db2.gz POAZRIYZWAXKDP-NDEPHWFRSA-N 0 0 455.558 4.182 50 0 JIAARN Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nncn2C)cc1 ZINC000009443954 555216684 /nfs/dbraw/zinc/21/66/84/555216684.db2.gz DLFNELGYMXGSDV-IBGZPJMESA-N 0 0 470.396 4.356 50 0 JIAARN COc1ccc(CNC(=O)Cn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccc(C)cc2)cc1 ZINC000009444012 555216856 /nfs/dbraw/zinc/21/68/56/555216856.db2.gz ZDOALUNGAZCABR-LJQANCHMSA-N 0 0 456.546 4.161 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)CCC(=O)c3cccs3)c2)cc1 ZINC000009444330 555217306 /nfs/dbraw/zinc/21/73/06/555217306.db2.gz BBFFCMXWYUZDKG-UHFFFAOYSA-N 0 0 474.560 4.168 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)COc3cc(C)cc(C)c3)c2)cc1 ZINC000009444344 555217407 /nfs/dbraw/zinc/21/74/07/555217407.db2.gz PQDQIZWLSFGDRS-UHFFFAOYSA-N 0 0 454.548 4.439 50 0 JIAARN COc1cc(OC)c([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)cc1OC ZINC000009450725 555223185 /nfs/dbraw/zinc/22/31/85/555223185.db2.gz SMPDBWBJKLUDIN-QFIPXVFZSA-N 0 0 462.433 4.103 50 0 JIAARN CCOc1ccccc1C(=O)[C@H]1C(c2ccc(OC)cc2OC)=NO[C@@]12C(=O)Nc1ccccc12 ZINC000009451227 555223674 /nfs/dbraw/zinc/22/36/74/555223674.db2.gz WFGVITFPQRBDID-YIXXDRMTSA-N 0 0 472.497 4.184 50 0 JIAARN CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009459106 555226875 /nfs/dbraw/zinc/22/68/75/555226875.db2.gz STFFTHBUFONXFP-UHFFFAOYSA-N 0 0 497.067 4.439 50 0 JIAARN COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000009460331 555227954 /nfs/dbraw/zinc/22/79/54/555227954.db2.gz PFFFTDKEFNFZLK-OLILMLBXSA-N 0 0 485.584 4.483 50 0 JIAARN Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)CSc4nnnn4C)cc3)cc2)cc1 ZINC000009461509 555229222 /nfs/dbraw/zinc/22/92/22/555229222.db2.gz KWSZEXQUJMJQNJ-UHFFFAOYSA-N 0 0 474.546 4.294 50 0 JIAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1ccc(Cl)cc1 ZINC000009463081 555232690 /nfs/dbraw/zinc/23/26/90/555232690.db2.gz STZQFMPFTZWMAP-UHFFFAOYSA-N 0 0 452.001 4.023 50 0 JIAARN CCOc1ccc(CCNC(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1OCC ZINC000009464602 555237230 /nfs/dbraw/zinc/23/72/30/555237230.db2.gz ASAPFQIMDTVEKK-UHFFFAOYSA-N 0 0 494.544 4.153 50 0 JIAARN COc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccc(F)cc4)n3C)n2)cc1OC ZINC000009464803 555237904 /nfs/dbraw/zinc/23/79/04/555237904.db2.gz CPHKWTWBRMOYIP-UHFFFAOYSA-N 0 0 485.566 4.493 50 0 JIAARN Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000009464983 555238182 /nfs/dbraw/zinc/23/81/82/555238182.db2.gz KBQCWRDBVXIHKO-UHFFFAOYSA-N 0 0 455.587 4.467 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)C[C@H](NC(N)=O)c1cccc(Oc3ccccc3)c1)CC2 ZINC000009467379 555244220 /nfs/dbraw/zinc/24/42/20/555244220.db2.gz DKVAPNRCUSQPBV-QHCPKHFHSA-N 0 0 475.545 4.181 50 0 JIAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1cnn(-c2ccccc2)c1 ZINC000009467435 555244427 /nfs/dbraw/zinc/24/44/27/555244427.db2.gz GZSBCVAUYOBQBK-UHFFFAOYSA-N 0 0 490.541 4.087 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2cc(OC)c(OC)cc2C)c1 ZINC000009467713 555245472 /nfs/dbraw/zinc/24/54/72/555245472.db2.gz JRKIYXLVFKZTGN-UHFFFAOYSA-N 0 0 489.638 4.285 50 0 JIAARN O=C(c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)N1CCC[C@H]1c1cccs1 ZINC000009468068 555246658 /nfs/dbraw/zinc/24/66/58/555246658.db2.gz VVKGUSOKWPIRHN-SFHVURJKSA-N 0 0 456.545 4.255 50 0 JIAARN O=C(NCCc1ccc2c(c1)OCCO2)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000009468070 555246692 /nfs/dbraw/zinc/24/66/92/555246692.db2.gz XRMZAQCANOISEH-UHFFFAOYSA-N 0 0 490.940 4.024 50 0 JIAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)Nc1ccccc1C(=O)NC1CC1 ZINC000009468297 555247714 /nfs/dbraw/zinc/24/77/14/555247714.db2.gz FOUSFJVSFUELHT-UHFFFAOYSA-N 0 0 488.548 4.091 50 0 JIAARN COc1ccc(C(=O)Nc2c(-c3cccs3)nc3cc(C)ccn32)cc1S(=O)(=O)N1CCCC1 ZINC000009468514 555248435 /nfs/dbraw/zinc/24/84/35/555248435.db2.gz XGIBXGZSUUOGOO-UHFFFAOYSA-N 0 0 496.614 4.417 50 0 JIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 ZINC000009468633 555248669 /nfs/dbraw/zinc/24/86/69/555248669.db2.gz WQLHSALOLICOSR-INIZCTEOSA-N 0 0 497.024 4.377 50 0 JIAARN Cc1nc(-c2cccc(N[C@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cs1 ZINC000009469006 555250136 /nfs/dbraw/zinc/25/01/36/555250136.db2.gz UHXVNNNGKNLIEY-MRXNPFEDSA-N 0 0 470.620 4.342 50 0 JIAARN C[C@@H](NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000009469251 555250901 /nfs/dbraw/zinc/25/09/01/555250901.db2.gz UADFEZNDTMBWJA-OAHLLOKOSA-N 0 0 477.521 4.167 50 0 JIAARN CCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1 ZINC000009469781 555252734 /nfs/dbraw/zinc/25/27/34/555252734.db2.gz PUUZOFVLRHCYPZ-UHFFFAOYSA-N 0 0 491.535 4.327 50 0 JIAARN CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)c3ccncc23)C1=O ZINC000009470762 555254166 /nfs/dbraw/zinc/25/41/66/555254166.db2.gz ZYPDIHDHOHMDON-UHFFFAOYSA-N 0 0 451.571 4.054 50 0 JIAARN CCCCNc1nc(SCC(=O)N2CCN(c3ccccc3OC)CC2)nc2ccccc21 ZINC000009474906 555256947 /nfs/dbraw/zinc/25/69/47/555256947.db2.gz WBICCBPJTQDEGX-UHFFFAOYSA-N 0 0 465.623 4.291 50 0 JIAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009481057 555261131 /nfs/dbraw/zinc/26/11/31/555261131.db2.gz QRBZSJBFFQCOKS-WDEREUQCSA-N 0 0 455.565 4.212 50 0 JIAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1=O ZINC000009481679 555261297 /nfs/dbraw/zinc/26/12/97/555261297.db2.gz ZLIGPNCRQSCZCN-RCZVLFRGSA-N 0 0 479.627 4.227 50 0 JIAARN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)cc1OC ZINC000009487295 555263207 /nfs/dbraw/zinc/26/32/07/555263207.db2.gz JYRDEBBVAONCNZ-UHFFFAOYSA-N 0 0 472.950 4.361 50 0 JIAARN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4ccc(C)cc4)[C@@H](C)C3)ccc2F)cc1 ZINC000009490801 555266860 /nfs/dbraw/zinc/26/68/60/555266860.db2.gz INIUGAHVBQTMPA-IBGZPJMESA-N 0 0 497.592 4.294 50 0 JIAARN Cc1ccc(Cc2c(C)nc3c(C(=O)N4CCN(c5ccc(F)cc5)CC4)cnn3c2C)cc1 ZINC000009490880 555267021 /nfs/dbraw/zinc/26/70/21/555267021.db2.gz JBKNPGQIBFSDMG-UHFFFAOYSA-N 0 0 457.553 4.347 50 0 JIAARN CCCCn1c2nc(CSc3ncnc4sc(C)c(C)c43)n(CCC)c2c(=O)[nH]c1=O ZINC000009491402 555268959 /nfs/dbraw/zinc/26/89/59/555268959.db2.gz SDPSXARKAJYQRP-UHFFFAOYSA-N 0 0 458.613 4.010 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2C)cc1 ZINC000009491650 555269599 /nfs/dbraw/zinc/26/95/99/555269599.db2.gz JGPFEWDHJXPQIH-UHFFFAOYSA-N 0 0 493.994 4.208 50 0 JIAARN COc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000009492134 555271496 /nfs/dbraw/zinc/27/14/96/555271496.db2.gz NXIAWSSONCDEKX-SFHVURJKSA-N 0 0 499.633 4.183 50 0 JIAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H](C)Sc1nnc(NC(C)C)s1 ZINC000009493068 555274325 /nfs/dbraw/zinc/27/43/25/555274325.db2.gz NKKSMNXCFAWHHY-HNNXBMFYSA-N 0 0 495.671 4.112 50 0 JIAARN CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1 ZINC000009493448 555275499 /nfs/dbraw/zinc/27/54/99/555275499.db2.gz CYUCZXQKGCHEMG-UHFFFAOYSA-N 0 0 452.157 4.161 50 0 JIAARN C[C@H](NC(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl ZINC000009493597 555275895 /nfs/dbraw/zinc/27/58/95/555275895.db2.gz LOXXPEXYTDGEGY-HDDXYUSQSA-N 0 0 467.393 4.046 50 0 JIAARN CCOC(=O)C1=C(CSc2ncnc3sc(CC)cc32)NC(=O)N[C@H]1c1ccccc1 ZINC000009493631 555276162 /nfs/dbraw/zinc/27/61/62/555276162.db2.gz GASOOAQMCALRKC-SFHVURJKSA-N 0 0 454.577 4.217 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CCc1cccs1)Cc1cccs1 ZINC000009495270 555279761 /nfs/dbraw/zinc/27/97/61/555279761.db2.gz SIVULUIVCRAZBD-UHFFFAOYSA-N 0 0 490.672 4.024 50 0 JIAARN CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2ncc(C(=O)N3C[C@H](C)C[C@H](C)C3)c(O)c2c1 ZINC000009495343 555279881 /nfs/dbraw/zinc/27/98/81/555279881.db2.gz ACGWCEXJPMFYCC-KDURUIRLSA-N 0 0 481.618 4.170 50 0 JIAARN Cc1nn(-c2ccc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)cc2)c(C)c1Cl ZINC000009495589 555280278 /nfs/dbraw/zinc/28/02/78/555280278.db2.gz KKLDHVOCVDJQKM-UHFFFAOYSA-N 0 0 467.378 4.299 50 0 JIAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000009495729 555280472 /nfs/dbraw/zinc/28/04/72/555280472.db2.gz LNZWLVUTKBLNGS-UHFFFAOYSA-N 0 0 490.541 4.472 50 0 JIAARN CCN(Cc1ccccc1)C(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 ZINC000009497325 555281810 /nfs/dbraw/zinc/28/18/10/555281810.db2.gz KUQQGPOAEVIJFB-UHFFFAOYSA-N 0 0 452.576 4.178 50 0 JIAARN CCOc1ccc(Oc2ccc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)cc2)cc1 ZINC000009497625 555281991 /nfs/dbraw/zinc/28/19/91/555281991.db2.gz FVEDGBWRRWSHHA-NSYGIPOTSA-N 0 0 451.523 4.317 50 0 JIAARN CC[C@@H](C)N(C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc21)[C@H]1CCS(=O)(=O)C1 ZINC000009497825 555282180 /nfs/dbraw/zinc/28/21/80/555282180.db2.gz MNVZPIRIXRWMBJ-KGLIPLIRSA-N 0 0 459.395 4.043 50 0 JIAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000009498360 555282949 /nfs/dbraw/zinc/28/29/49/555282949.db2.gz XPXNXGQZPPXTQP-UHFFFAOYSA-N 0 0 469.607 4.130 50 0 JIAARN O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000009502082 555286607 /nfs/dbraw/zinc/28/66/07/555286607.db2.gz TVBFNTDSIUTSBR-UHFFFAOYSA-N 0 0 488.613 4.372 50 0 JIAARN Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000009503093 555287960 /nfs/dbraw/zinc/28/79/60/555287960.db2.gz AVXHKZRHXFOEFJ-ZHACJKMWSA-N 0 0 477.652 4.455 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000009506868 555290574 /nfs/dbraw/zinc/29/05/74/555290574.db2.gz CMGQDKPALGGEQK-UHFFFAOYSA-N 0 0 454.573 4.300 50 0 JIAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000009507931 555293220 /nfs/dbraw/zinc/29/32/20/555293220.db2.gz NYSKXVKSEFYOMT-UHFFFAOYSA-N 0 0 494.032 4.395 50 0 JIAARN O=C(CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000009508678 555295272 /nfs/dbraw/zinc/29/52/72/555295272.db2.gz GLQCLTIXEBRULF-NRFANRHFSA-N 0 0 470.356 4.089 50 0 JIAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cc1ccc(Br)cc1 ZINC000009510224 555299460 /nfs/dbraw/zinc/29/94/60/555299460.db2.gz RHEVEORJZMPJQU-UHFFFAOYSA-N 0 0 463.372 4.264 50 0 JIAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 ZINC000009512848 555303146 /nfs/dbraw/zinc/30/31/46/555303146.db2.gz DWWVUBDSQMCQBB-IRXDYDNUSA-N 0 0 494.642 4.497 50 0 JIAARN CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000009513475 555303725 /nfs/dbraw/zinc/30/37/25/555303725.db2.gz LMUWOUUPWUOEKI-VWLOTQADSA-N 0 0 482.005 4.440 50 0 JIAARN CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000009513472 555303781 /nfs/dbraw/zinc/30/37/81/555303781.db2.gz LMUWOUUPWUOEKI-RUZDIDTESA-N 0 0 482.005 4.440 50 0 JIAARN O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)c1cc(C2CC2)on1 ZINC000009514200 555304536 /nfs/dbraw/zinc/30/45/36/555304536.db2.gz ZJILURRUAFBQSB-UHFFFAOYSA-N 0 0 487.500 4.310 50 0 JIAARN O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009514504 555305199 /nfs/dbraw/zinc/30/51/99/555305199.db2.gz 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COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)OCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000009634759 555340404 /nfs/dbraw/zinc/34/04/04/555340404.db2.gz MWLCMVXCFKVCEG-UHFFFAOYSA-N 0 0 484.487 4.360 50 0 JIAARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000013141954 555340409 /nfs/dbraw/zinc/34/04/09/555340409.db2.gz WSFMGVTXDWFOEX-CALCHBBNSA-N 0 0 491.009 4.038 50 0 JIAARN COc1cccc([C@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2CCc2ccccc2)c1OC ZINC000009546241 555340761 /nfs/dbraw/zinc/34/07/61/555340761.db2.gz FWUPWQSUABHNAM-AJPKXHFHSA-N 0 0 450.579 4.237 50 0 JIAARN COc1ccc(CNc2nnc(SCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)s2)cc1 ZINC000009547010 555343438 /nfs/dbraw/zinc/34/34/38/555343438.db2.gz VMMDMPXMTPSKSB-LJQANCHMSA-N 0 0 498.630 4.386 50 0 JIAARN O=C(CSc1ccccc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)N1CCCC1 ZINC000009638811 555348008 /nfs/dbraw/zinc/34/80/08/555348008.db2.gz ZOXUCTQFWIHAQO-UHFFFAOYSA-N 0 0 482.631 4.100 50 0 JIAARN COc1cccc(C(=O)Nc2nc(-c3nnn(-c4ccc(OC)c(Cl)c4)c3C)ns2)c1 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CCOc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000013153761 555360028 /nfs/dbraw/zinc/36/00/28/555360028.db2.gz SPVGLHWOHRUDDH-UHFFFAOYSA-N 0 0 492.638 4.095 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1c(F)cccc1F)n2CC ZINC000009561860 555360957 /nfs/dbraw/zinc/36/09/57/555360957.db2.gz MEMXNMMEWPMXIC-UHFFFAOYSA-N 0 0 482.578 4.096 50 0 JIAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCC(=O)NCc2ccco2)cc1OC ZINC000009562207 555362172 /nfs/dbraw/zinc/36/21/72/555362172.db2.gz MFCXHPODDLIYPG-ACCUITESSA-N 0 0 487.512 4.022 50 0 JIAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000013163889 555363051 /nfs/dbraw/zinc/36/30/51/555363051.db2.gz BWPSVMNGMRQAIM-UHFFFAOYSA-N 0 0 461.518 4.086 50 0 JIAARN Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)[C@@H]1CCC(=O)N1 ZINC000009660056 555363714 /nfs/dbraw/zinc/36/37/14/555363714.db2.gz VMNRQMZSYQMCOY-JYFHCDHNSA-N 0 0 455.558 4.291 50 0 JIAARN CCn1nnc2cc(C(=O)N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)ccc21 ZINC000013164130 555363805 /nfs/dbraw/zinc/36/38/05/555363805.db2.gz PFQDYGYMYJNIQL-UHFFFAOYSA-N 0 0 461.516 4.277 50 0 JIAARN Cc1cc2nc(N(Cc3ccccn3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2c(C)c1 ZINC000009565954 555364803 /nfs/dbraw/zinc/36/48/03/555364803.db2.gz IMWVMOJTKJKAQG-UHFFFAOYSA-N 0 0 465.600 4.488 50 0 JIAARN COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)c1C ZINC000013164406 555364876 /nfs/dbraw/zinc/36/48/76/555364876.db2.gz KOHRBEZNMTVKAJ-PIIWDFAUSA-N 0 0 473.573 4.185 50 0 JIAARN CCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc(Br)cc2C)c1 ZINC000009661470 555365416 /nfs/dbraw/zinc/36/54/16/555365416.db2.gz ITOPQYODOAPRRO-UHFFFAOYSA-N 0 0 451.324 4.482 50 0 JIAARN COc1ccc(CCC(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000009661241 555365475 /nfs/dbraw/zinc/36/54/75/555365475.db2.gz GMFATJXQXTZRTM-UHFFFAOYSA-N 0 0 471.496 4.029 50 0 JIAARN O=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)C(=O)Nc1ccc(Cl)cc1 ZINC000009569039 555365718 /nfs/dbraw/zinc/36/57/18/555365718.db2.gz AIXZVEPNCXZBBZ-UHFFFAOYSA-N 0 0 460.346 4.062 50 0 JIAARN Cc1ccc(N(Cc2nnc(-c3ccccc3)o2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000013164601 555365768 /nfs/dbraw/zinc/36/57/68/555365768.db2.gz LUWGAOYPDAANHK-UHFFFAOYSA-N 0 0 463.515 4.212 50 0 JIAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000013164636 555365826 /nfs/dbraw/zinc/36/58/26/555365826.db2.gz WABJXVKUQZUFJK-UHFFFAOYSA-N 0 0 486.597 4.267 50 0 JIAARN Cc1ccc(C)c(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)c1 ZINC000009569058 555365927 /nfs/dbraw/zinc/36/59/27/555365927.db2.gz WHNDIHAIXXIALN-UHFFFAOYSA-N 0 0 453.955 4.025 50 0 JIAARN Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccc(C)c(Cl)c4)n3n2)c1 ZINC000009569111 555365965 /nfs/dbraw/zinc/36/59/65/555365965.db2.gz XYCXFAJHPVJQLW-UHFFFAOYSA-N 0 0 453.955 4.025 50 0 JIAARN C[C@@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000009661820 555366363 /nfs/dbraw/zinc/36/63/63/555366363.db2.gz WFNWQHXSHUDERD-GCYXWMANSA-N 0 0 480.630 4.106 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)c(C)c1 ZINC000009569306 555366509 /nfs/dbraw/zinc/36/65/09/555366509.db2.gz BBRXNLFMVBARPF-UHFFFAOYSA-N 0 0 462.618 4.307 50 0 JIAARN O=C(CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3)NCc1ccco1 ZINC000009662044 555366947 /nfs/dbraw/zinc/36/69/47/555366947.db2.gz DAHRMWCVIMFIHL-UHFFFAOYSA-N 0 0 465.600 4.191 50 0 JIAARN CCCCn1c(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nc2cc(C(=O)OC)ccc2c1=O ZINC000013165077 555367879 /nfs/dbraw/zinc/36/78/79/555367879.db2.gz QVNFEDYNJQQWME-UHFFFAOYSA-N 0 0 484.603 4.190 50 0 JIAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 ZINC000009569516 555367943 /nfs/dbraw/zinc/36/79/43/555367943.db2.gz FJSLLZGWVRLYIE-UHFFFAOYSA-N 0 0 478.542 4.216 50 0 JIAARN CCN(CC)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)c(C)c1 ZINC000009573744 555370694 /nfs/dbraw/zinc/37/06/94/555370694.db2.gz WZFFYVVJQILIMR-UHFFFAOYSA-N 0 0 466.563 4.460 50 0 JIAARN COc1ccc(Cn2nnnc2SCC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1 ZINC000009663556 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C[C@H](NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)cc1)c1cccs1 ZINC000009789359 555507959 /nfs/dbraw/zinc/50/79/59/555507959.db2.gz PZRXQBHZSUUVTN-HNAYVOBHSA-N 0 0 470.620 4.052 50 0 JIAARN Cn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009790312 555509509 /nfs/dbraw/zinc/50/95/09/555509509.db2.gz VECHKWGKMBWKAA-UHFFFAOYSA-N 0 0 490.376 4.012 50 0 JIAARN COc1ccc(C2=NN(C(=O)CSc3nc(-c4ccccc4)cn3N)[C@H](c3ccco3)C2)cc1 ZINC000009792773 555511358 /nfs/dbraw/zinc/51/13/58/555511358.db2.gz LTYIVHUOALIKPS-QFIPXVFZSA-N 0 0 473.558 4.336 50 0 JIAARN CN(Cc1ccco1)C(=O)CSc1nnc(COc2ccccc2F)n1-c1ccccc1 ZINC000009795903 555513394 /nfs/dbraw/zinc/51/33/94/555513394.db2.gz JKVPYYMJWVSOPD-UHFFFAOYSA-N 0 0 452.511 4.329 50 0 JIAARN CCn1c(CN(Cc2ccco2)Cc2cccs2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009797745 555514510 /nfs/dbraw/zinc/51/45/10/555514510.db2.gz UJBYXCNXFJBAEU-UHFFFAOYSA-N 0 0 458.609 4.163 50 0 JIAARN CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccc(Cl)cc1 ZINC000013576640 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QITSBTDLUUEQDD-UHFFFAOYSA-N 0 0 459.000 4.191 50 0 JIAARN COc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3cc4c(cc32)OCCO4)cc1 ZINC000009847549 555549152 /nfs/dbraw/zinc/54/91/52/555549152.db2.gz SFLVJGPEQPWOKH-UHFFFAOYSA-N 0 0 461.495 4.078 50 0 JIAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)N4CCN(c5ccc(F)cc5)CC4)C3)sc2c1 ZINC000009848208 555550223 /nfs/dbraw/zinc/55/02/23/555550223.db2.gz VGNXVRVWGKRTSD-GOSISDBHSA-N 0 0 468.598 4.399 50 0 JIAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccc(C)cc3c2=O)cc1 ZINC000009855668 555555890 /nfs/dbraw/zinc/55/58/90/555555890.db2.gz ZYBWFEKBKOHCAL-UHFFFAOYSA-N 0 0 468.509 4.471 50 0 JIAARN COc1ccc(CN2C(=O)[C@](NC(=O)c3cccc(C)c3)(C(F)(F)F)N=C2c2ccccc2)cc1 ZINC000019938876 555557241 /nfs/dbraw/zinc/55/72/41/555557241.db2.gz IQMWHYGVHDIYBJ-VWLOTQADSA-N 0 0 481.474 4.481 50 0 JIAARN Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccc(F)cc3c2=O)cc1C ZINC000009856777 555557515 /nfs/dbraw/zinc/55/75/15/555557515.db2.gz FFSXOKSHVWQQRS-UHFFFAOYSA-N 0 0 464.518 4.229 50 0 JIAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccccc1C ZINC000009857173 555558318 /nfs/dbraw/zinc/55/83/18/555558318.db2.gz PQGKQUIFAVZWRE-UHFFFAOYSA-N 0 0 490.581 4.489 50 0 JIAARN CCOC(=O)[C@@H](C)Sc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1c(C)cccc1CC ZINC000009857896 555558935 /nfs/dbraw/zinc/55/89/35/555558935.db2.gz NHWYBILHXCKCMM-QGZVFWFLSA-N 0 0 482.606 4.120 50 0 JIAARN Cc1cccc(-c2nnn3c2nc(N2CCN(C(=O)c4ccco4)CC2)c2cc(Cl)ccc23)c1 ZINC000009858924 555560558 /nfs/dbraw/zinc/56/05/58/555560558.db2.gz JXCORBXNQWGKDF-UHFFFAOYSA-N 0 0 472.936 4.462 50 0 JIAARN COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000019943571 555561975 /nfs/dbraw/zinc/56/19/75/555561975.db2.gz KREVLVHKGGRZGD-UHFFFAOYSA-N 0 0 480.211 4.275 50 0 JIAARN COC(=O)[C@](NC(=O)c1ccc(Cl)cc1)(Nc1ncc(Cl)cc1Cl)C(F)(F)F ZINC000019944301 555562795 /nfs/dbraw/zinc/56/27/95/555562795.db2.gz SCNOMIQGBPXJLC-OAHLLOKOSA-N 0 0 456.635 4.315 50 0 JIAARN CCCN(C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O)c1ccc(OCC)cc1 ZINC000009970178 555567768 /nfs/dbraw/zinc/56/77/68/555567768.db2.gz KMMUPFRQJGWBGT-UHFFFAOYSA-N 0 0 456.546 4.224 50 0 JIAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1CCCC2)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000009970923 555568052 /nfs/dbraw/zinc/56/80/52/555568052.db2.gz PHJAXAWHGOGQOO-SNVBAGLBSA-N 0 0 450.442 4.168 50 0 JIAARN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(C(c3ccccc3)c3ccccc3)CC1)C(=O)C2 ZINC000019999582 555577512 /nfs/dbraw/zinc/57/75/12/555577512.db2.gz IHCMAQXWUYVJFH-YIXXDRMTSA-N 0 0 466.647 4.119 50 0 JIAARN CC1(C)Cc2c(sc3c2c2nc(-c4cccnc4)nn2c(=O)n3Cc2ccccc2F)CO1 ZINC000013688038 555581050 /nfs/dbraw/zinc/58/10/50/555581050.db2.gz ILESLSGQPBWQGT-UHFFFAOYSA-N 0 0 461.522 4.206 50 0 JIAARN O=c1c2ccc3c(c2oc(C(F)(F)F)c1-c1ccc(Cl)cc1)CN([C@H]1CCS(=O)(=O)C1)CO3 ZINC000013688249 555581302 /nfs/dbraw/zinc/58/13/02/555581302.db2.gz TZKFGZGZYXZRHK-AWEZNQCLSA-N 0 0 499.894 4.471 50 0 JIAARN O=C(Nc1cccc2cccnc21)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000009983985 555583268 /nfs/dbraw/zinc/58/32/68/555583268.db2.gz FEDHKTNVRCDZIW-UHFFFAOYSA-N 0 0 460.353 4.034 50 0 JIAARN CCn1c(=O)c2cc(Br)ccc2nc1SCC(=O)Nc1ccc(F)cc1F ZINC000009984342 555583609 /nfs/dbraw/zinc/58/36/09/555583609.db2.gz NUSKNQYCKJAPKD-UHFFFAOYSA-N 0 0 454.296 4.188 50 0 JIAARN CC(C)Cc1ccc([C@@H](NC(=O)CCc2ccc(S(N)(=O)=O)cc2)c2cccs2)cc1 ZINC000009984240 555583648 /nfs/dbraw/zinc/58/36/48/555583648.db2.gz BNAXXBBYDNBMIV-XMMPIXPASA-N 0 0 456.633 4.432 50 0 JIAARN COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)Nc2cccnc2Cl)cc1 ZINC000009985801 555584751 /nfs/dbraw/zinc/58/47/51/555584751.db2.gz FITOTMAXXLRTAG-UHFFFAOYSA-N 0 0 467.909 4.110 50 0 JIAARN COc1ccc(-c2cc3ccc(OCC(=O)Nc4ncc(C)s4)cc3oc2=O)cc1OC ZINC000013692357 555587065 /nfs/dbraw/zinc/58/70/65/555587065.db2.gz DDOWXAJFLMOHMK-UHFFFAOYSA-N 0 0 452.488 4.260 50 0 JIAARN Cc1c2ccc(NC(=O)CCn3nnc4ccccc4c3=O)cc2oc1C(=O)c1ccccc1 ZINC000013719337 555595369 /nfs/dbraw/zinc/59/53/69/555595369.db2.gz YJEQJYPFPNGUJM-UHFFFAOYSA-N 0 0 452.470 4.106 50 0 JIAARN O=C(COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)N1CCN(c2ccccc2)CC1 ZINC000010021501 555596438 /nfs/dbraw/zinc/59/64/38/555596438.db2.gz PTHKQHINLWCQCL-UHFFFAOYSA-N 0 0 463.148 4.201 50 0 JIAARN CC(=O)c1cc2c(cc1NC(=O)c1ccc(S(=O)(=O)N3CCCc4ccccc43)cc1)OCO2 ZINC000010021905 555597397 /nfs/dbraw/zinc/59/73/97/555597397.db2.gz QCWYQLZQNUOMPV-UHFFFAOYSA-N 0 0 478.526 4.012 50 0 JIAARN COc1ccc(CN(CCN2CCOCC2)C(=S)Nc2ccc(C(F)(F)F)cc2)cc1OC ZINC000013734452 555605497 /nfs/dbraw/zinc/60/54/97/555605497.db2.gz NXHVUVYOLFTBFP-UHFFFAOYSA-N 0 0 483.556 4.254 50 0 JIAARN Cc1oc2cc3oc(=O)c(CC(=O)N(C)[C@H]4CCS(=O)(=O)C4)c(C)c3cc2c1-c1ccccc1 ZINC000013735484 555605715 /nfs/dbraw/zinc/60/57/15/555605715.db2.gz LRTPXSUYUVSXSX-SFHVURJKSA-N 0 0 479.554 4.011 50 0 JIAARN COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000010058926 555608420 /nfs/dbraw/zinc/60/84/20/555608420.db2.gz RAPIIGWMBBQIMI-UHFFFAOYSA-N 0 0 479.986 4.124 50 0 JIAARN Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CCN(C[C@H](O)COc3cc(C)ccc3C(C)C)CC2)c1 ZINC000020034462 555609153 /nfs/dbraw/zinc/60/91/53/555609153.db2.gz TWIFJHYVLLDHQU-UIOOFZCWSA-N 0 0 498.708 4.347 50 0 biogenic JIAARN COc1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3)C2=O)cc1OC ZINC000010059183 555609369 /nfs/dbraw/zinc/60/93/69/555609369.db2.gz LVDLUNBQTUTUSZ-RUZDIDTESA-N 0 0 451.906 4.365 50 0 JIAARN COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN32)cc1OC ZINC000013759628 555612559 /nfs/dbraw/zinc/61/25/59/555612559.db2.gz BWDULSKNBNEGLX-QYOOZWMWSA-N 0 0 486.568 4.230 50 0 JIAARN Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000013778244 555617463 /nfs/dbraw/zinc/61/74/63/555617463.db2.gz ZLNFRMFKSWSQNY-LJQANCHMSA-N 0 0 490.050 4.239 50 0 JIAARN CN(Cc1cccc(Cl)c1Cl)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000010093907 555617715 /nfs/dbraw/zinc/61/77/15/555617715.db2.gz YLXYYJNUJCBKME-UHFFFAOYSA-N 0 0 487.313 4.325 50 0 JIAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CC3)cc2)sc2c1CC[C@H](C)C2 ZINC000010099445 555617876 /nfs/dbraw/zinc/61/78/76/555617876.db2.gz FBZCUKODNBLUIX-AWEZNQCLSA-N 0 0 476.620 4.085 50 0 JIAARN Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(C/C=C/c2ccccc2)c4=O)cc1Cl ZINC000010104846 555618278 /nfs/dbraw/zinc/61/82/78/555618278.db2.gz KDDGKWCPRJQGLV-UXBLZVDNSA-N 0 0 461.953 4.114 50 0 JIAARN CCCCN1c2ccc(Br)cc2[C@]2(NCCc3c4cc(OC)ccc4[nH]c32)C1=O ZINC000020064243 555624388 /nfs/dbraw/zinc/62/43/88/555624388.db2.gz RBDFSXOEUNLFJM-HSZRJFAPSA-N 0 0 454.368 4.475 50 0 biogenic JIAARN CCn1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2cc(OC)c(OC)cc2c1=O ZINC000013828545 555630015 /nfs/dbraw/zinc/63/00/15/555630015.db2.gz RJTIZKHQFVBOID-UHFFFAOYSA-N 0 0 489.494 4.020 50 0 JIAARN O=C(c1ccccc1)N1CCN([C@@H]2c3cccc4cccc(c34)[C@@H]2NS(=O)(=O)c2ccccc2)CC1 ZINC000020081885 555630561 /nfs/dbraw/zinc/63/05/61/555630561.db2.gz WEEORUMVUCILNS-WUFINQPMSA-N 0 0 497.620 4.372 50 0 aggregator JIAARN O=C(CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3)Nc1ccccn1 ZINC000020100884 555633797 /nfs/dbraw/zinc/63/37/97/555633797.db2.gz QSAFGPHTNILNLX-UHFFFAOYSA-N 0 0 492.630 4.081 50 0 JIAARN CC(=O)c1ccc(N2CCN(C(=O)C(=Cc3ccccc3)NC(=O)c3ccccc3)CC2)cc1 ZINC000020101544 555634131 /nfs/dbraw/zinc/63/41/31/555634131.db2.gz DWZGIMLJDNRLGS-LHLOQNFPSA-N 0 0 453.542 4.009 50 0 JIAARN CC(C)C[C@H](C(=O)OCC(=O)C(C)(C)C)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013856072 555634499 /nfs/dbraw/zinc/63/44/99/555634499.db2.gz BYEXFDFSTFLUGE-KTRORMGNSA-N 0 0 487.596 4.452 50 0 JIAARN CN(CCCNC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1)c1ccccc1 ZINC000010142020 555636710 /nfs/dbraw/zinc/63/67/10/555636710.db2.gz KWALDMJQUZFMOJ-UHFFFAOYSA-N 0 0 450.608 4.246 50 0 JIAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000013858212 555636794 /nfs/dbraw/zinc/63/67/94/555636794.db2.gz ZLLHVQOMHIXICU-INIZCTEOSA-N 0 0 478.014 4.295 50 0 JIAARN Cc1sc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)c(C(N)=O)c1C ZINC000010165919 555638506 /nfs/dbraw/zinc/63/85/06/555638506.db2.gz CXLLWUMIISHVNI-UHFFFAOYSA-N 0 0 465.641 4.019 50 0 JIAARN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Br)c1O ZINC000013881034 555639365 /nfs/dbraw/zinc/63/93/65/555639365.db2.gz NTINKWANSBMGOO-CXUHLZMHSA-N 0 0 477.336 4.147 50 0 JIAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000010186955 555641147 /nfs/dbraw/zinc/64/11/47/555641147.db2.gz QTFQYNDQOJLNNQ-HNNXBMFYSA-N 0 0 453.998 4.317 50 0 JIAARN COc1ccc(NC(=O)[C@H](c2ccc(OC)cc2)N(C)C(=O)/C=C\c2ccc3c(c2)OCO3)cc1 ZINC000020108353 555643137 /nfs/dbraw/zinc/64/31/37/555643137.db2.gz ALPAGPDROZUYRU-NBMIFLEBSA-N 0 0 474.513 4.284 50 0 JIAARN CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000013897543 555644532 /nfs/dbraw/zinc/64/45/32/555644532.db2.gz YXLDZFCJYJHLCN-BVZFJXPGSA-N 0 0 467.525 4.202 50 0 JIAARN CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000013897537 555644543 /nfs/dbraw/zinc/64/45/43/555644543.db2.gz YXLDZFCJYJHLCN-AVRWGWEMSA-N 0 0 467.525 4.202 50 0 JIAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(C)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000020109060 555644576 /nfs/dbraw/zinc/64/45/76/555644576.db2.gz IWMHQIZAKPNQKC-RRPNLBNLSA-N 0 0 487.575 4.089 50 0 JIAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1 ZINC000010200686 555645642 /nfs/dbraw/zinc/64/56/42/555645642.db2.gz BQNVEUXRFTYKCE-UHFFFAOYSA-N 0 0 495.649 4.416 50 0 JIAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010208451 555646032 /nfs/dbraw/zinc/64/60/32/555646032.db2.gz ORVYZLVEHDQUFA-UHFFFAOYSA-N 0 0 491.419 4.131 50 0 JIAARN COc1cc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)ccc1OCC(C)C ZINC000010212903 555646599 /nfs/dbraw/zinc/64/65/99/555646599.db2.gz YJGWGWLQMHADOX-UHFFFAOYSA-N 0 0 460.574 4.446 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)O[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000010213103 555646690 /nfs/dbraw/zinc/64/66/90/555646690.db2.gz BICVJVASZICQTJ-FVJLSDCUSA-N 0 0 476.570 4.175 50 0 JIAARN COc1ccc(S(=O)(=O)CC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000010219269 555652335 /nfs/dbraw/zinc/65/23/35/555652335.db2.gz OYOJBOPGBONWDW-UHFFFAOYSA-N 0 0 454.529 4.090 50 0 JIAARN Cc1nnc(NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2ccc(C)cc2)s1 ZINC000020114534 555652499 /nfs/dbraw/zinc/65/24/99/555652499.db2.gz KFYFYMUUYZIEKS-UHFFFAOYSA-N 0 0 462.560 4.066 50 0 JIAARN Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)o2)cc1C ZINC000010220592 555653566 /nfs/dbraw/zinc/65/35/66/555653566.db2.gz JRCIUVNNYLNASO-UHFFFAOYSA-N 0 0 454.552 4.170 50 0 JIAARN COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(Br)c4)s3)CC2=O)cc1 ZINC000013944286 555655606 /nfs/dbraw/zinc/65/56/06/555655606.db2.gz XSOQXASMYYIFIE-ZDUSSCGKSA-N 0 0 473.352 4.082 50 0 JIAARN CCC(=O)Nc1cccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(CC)cc4)C3)s2)c1 ZINC000013944621 555656675 /nfs/dbraw/zinc/65/66/75/555656675.db2.gz REVDZJJVCXHMCC-QGZVFWFLSA-N 0 0 463.563 4.222 50 0 JIAARN CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)cc1 ZINC000013944742 555656886 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ZINC000015882123 556055269 /nfs/dbraw/zinc/05/52/69/556055269.db2.gz WNMBSUBPCSEBPM-WUXMJOGZSA-N 0 0 478.574 4.164 50 0 JIAARN COc1cc(C(=O)N2CCN(c3nc4ccc(Br)cc4s3)CC2)cc(OC)c1OC ZINC000015882402 556056200 /nfs/dbraw/zinc/05/62/00/556056200.db2.gz FVBYAMWRTQLKSB-UHFFFAOYSA-N 0 0 492.395 4.047 50 0 JIAARN CC(C)[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000012563542 556058615 /nfs/dbraw/zinc/05/86/15/556058615.db2.gz KEFMKFLPGWKQFL-KTWGYSIQSA-N 0 0 493.559 4.329 50 0 JIAARN Fc1cccc(-n2c(SCCCc3nc(-c4ccccc4)no3)nnc2N2CCOCC2)c1 ZINC000012563707 556058800 /nfs/dbraw/zinc/05/88/00/556058800.db2.gz QQZOFLOOMQPTEN-UHFFFAOYSA-N 0 0 466.542 4.018 50 0 JIAARN CCCc1ccc(S(=O)(=O)N2CCN(c3nccc(-c4ccc(OCC)cc4)n3)CC2)cc1 ZINC000023440622 556060125 /nfs/dbraw/zinc/06/01/25/556060125.db2.gz SXQXSMXDCCNROR-UHFFFAOYSA-N 0 0 466.607 4.006 50 0 JIAARN CC(C)CN(Cn1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012564572 556060680 /nfs/dbraw/zinc/06/06/80/556060680.db2.gz HFZBOBPRCPKAPD-OAQYLSRUSA-N 0 0 492.617 4.451 50 0 JIAARN S=C(N=P(N1CCOCC1)(N1CCOCC1)C12CC3CC(CC(C3)C1)C2)N1CCCC1 ZINC000015906522 556063647 /nfs/dbraw/zinc/06/36/47/556063647.db2.gz IZCJZRUSFVBWHP-UHFFFAOYSA-N 0 0 466.632 4.032 50 0 JIAARN O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000012566562 556064382 /nfs/dbraw/zinc/06/43/82/556064382.db2.gz YHUJGWDYIMJFOC-UHFFFAOYSA-N 0 0 462.527 4.268 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2[C@@H]2CCCC[C@@H]2C)cc1 ZINC000012566712 556065011 /nfs/dbraw/zinc/06/50/11/556065011.db2.gz LMCQMAISIVVNIB-MAUKXSAKSA-N 0 0 459.616 4.421 50 0 JIAARN CCn1c2ccccc2n(CC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1=O ZINC000012567265 556066234 /nfs/dbraw/zinc/06/62/34/556066234.db2.gz RMNMPYDFXFVBHA-UHFFFAOYSA-N 0 0 490.554 4.035 50 0 JIAARN COc1ccc(N(CC(=O)NCCSC2CCCCC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000015919362 556066963 /nfs/dbraw/zinc/06/69/63/556066963.db2.gz WWHVPDATGFWUQY-UHFFFAOYSA-N 0 0 492.663 4.081 50 0 JIAARN CCCCc1ccc(C(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012568214 556068321 /nfs/dbraw/zinc/06/83/21/556068321.db2.gz YCVMPLZTYRWOAH-NRFANRHFSA-N 0 0 463.983 4.262 50 0 JIAARN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000015924972 556069682 /nfs/dbraw/zinc/06/96/82/556069682.db2.gz SRUYRLYXIAHAOC-SWLSCSKDSA-N 0 0 467.351 4.102 50 0 JIAARN COc1cccc(CCNC(=O)c2ccc(-c3cc(-c4cccc5c4OCCO5)[nH]n3)cc2)c1 ZINC000023457106 556069733 /nfs/dbraw/zinc/06/97/33/556069733.db2.gz VVDNDCRUFLQGLD-UHFFFAOYSA-N 0 0 455.514 4.496 50 0 JIAARN C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 ZINC000015931103 556070480 /nfs/dbraw/zinc/07/04/80/556070480.db2.gz AZWIMXHDVVOOTM-STOISNSZSA-N 0 0 474.354 4.381 50 0 JIAARN Cc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=S)NCc3ccccc3)C2=O)cc1 ZINC000015931678 556070777 /nfs/dbraw/zinc/07/07/77/556070777.db2.gz YGWBOARINPBSDT-DEOSSOPVSA-N 0 0 457.599 4.246 50 0 JIAARN Cc1ccc(NC(=O)CSCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 ZINC000012569240 556071338 /nfs/dbraw/zinc/07/13/38/556071338.db2.gz OFGBQDYTJNLWCX-PGRDOPGGSA-N 0 0 454.592 4.101 50 0 JIAARN Cc1ccc(NC(=O)CSCC(=O)O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)c(C)c1 ZINC000012569241 556071393 /nfs/dbraw/zinc/07/13/93/556071393.db2.gz OFGBQDYTJNLWCX-GCJKJVERSA-N 0 0 454.592 4.101 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1CCc1ccc(Cl)cc1 ZINC000012569395 556071855 /nfs/dbraw/zinc/07/18/55/556071855.db2.gz CCOSYPJRFANVID-MHZLTWQESA-N 0 0 491.975 4.414 50 0 JIAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)Nc3nc(-c4ccccc4F)nn32)cc1 ZINC000012571214 556073471 /nfs/dbraw/zinc/07/34/71/556073471.db2.gz HUFNXHDJXGLCOB-JOCHJYFZSA-N 0 0 456.481 4.415 50 0 JIAARN O=C(NC[C@@H]1CCC2(CCN(C(=O)c3ccc(-c4cccc(F)c4)cc3)CC2)O1)c1ccccn1 ZINC000012571303 556073582 /nfs/dbraw/zinc/07/35/82/556073582.db2.gz QEDPVJOZQXCLJV-DEOSSOPVSA-N 0 0 473.548 4.472 50 0 JIAARN O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000023542137 556077491 /nfs/dbraw/zinc/07/74/91/556077491.db2.gz FUFWRRMTHFDADB-XMMPIXPASA-N 0 0 485.565 4.088 50 0 JIAARN Cc1cccc(-n2c3ccccc3nc2SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000023547386 556077915 /nfs/dbraw/zinc/07/79/15/556077915.db2.gz SVGOVKRKTGGIGX-FQEVSTJZSA-N 0 0 471.648 4.098 50 0 JIAARN C[C@@H](Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000023561704 556078514 /nfs/dbraw/zinc/07/85/14/556078514.db2.gz BDYQWXCAFNXTRU-SNVBAGLBSA-N 0 0 491.495 4.243 50 0 JIAARN CCC[C@H](NC(=O)[C@H](C)Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)c1ccccc1 ZINC000023562853 556078803 /nfs/dbraw/zinc/07/88/03/556078803.db2.gz ZVUNXELOIKHKSY-KSSFIOAISA-N 0 0 479.606 4.243 50 0 JIAARN COc1ccc([C@@H](NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)c2nccn2C)cc1 ZINC000012582229 556079723 /nfs/dbraw/zinc/07/97/23/556079723.db2.gz MOFIKKWTNMKJCS-XMMPIXPASA-N 0 0 476.533 4.141 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000023652159 556081904 /nfs/dbraw/zinc/08/19/04/556081904.db2.gz SMRHSQJCGBXZHD-UHFFFAOYSA-N 0 0 456.486 4.144 50 0 JIAARN Cc1sc(-n2cccc2)c(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1C ZINC000023690698 556083644 /nfs/dbraw/zinc/08/36/44/556083644.db2.gz LXSUSJXFRYXFHX-UHFFFAOYSA-N 0 0 470.041 4.017 50 0 JIAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000012591802 556087646 /nfs/dbraw/zinc/08/76/46/556087646.db2.gz ZSISSXLJNFTENC-UHFFFAOYSA-N 0 0 487.386 4.254 50 0 JIAARN Cc1cc(I)ccc1NC(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000012628475 556092955 /nfs/dbraw/zinc/09/29/55/556092955.db2.gz SJPKYEKXNYFGGF-UHFFFAOYSA-N 0 0 494.354 4.158 50 0 JIAARN COc1ccc(Nc2nc(COC(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)cs2)cc1 ZINC000023866969 556095530 /nfs/dbraw/zinc/09/55/30/556095530.db2.gz WUJNNTFCBVEDMQ-OYLFLEFRSA-N 0 0 486.594 4.075 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C(=O)Nc3ccc(C(C)C)cc3)C(C)C)CC2)cc1 ZINC000015974856 556097841 /nfs/dbraw/zinc/09/78/41/556097841.db2.gz WVEXSYLTFABTOY-RUZDIDTESA-N 0 0 499.677 4.299 50 0 JIAARN CC(C)OC(=S)SCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C ZINC000012660838 556101019 /nfs/dbraw/zinc/10/10/19/556101019.db2.gz YRFRIBDYZIIIDT-QMLAEXILSA-N 0 0 480.692 4.232 50 0 biogenic JIAARN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)CC1 ZINC000023920761 556101140 /nfs/dbraw/zinc/10/11/40/556101140.db2.gz XUMFKFAJFKBTTL-SFHVURJKSA-N 0 0 495.626 4.382 50 0 JIAARN COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)c4ccccc4)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000015990239 556102235 /nfs/dbraw/zinc/10/22/35/556102235.db2.gz VTNJXFGOJXUSFF-QUMGSSFMSA-N 0 0 464.521 4.089 50 0 JIAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000012692327 556102299 /nfs/dbraw/zinc/10/22/99/556102299.db2.gz QUUSDUQWVRMOBI-UHFFFAOYSA-N 0 0 464.909 4.393 50 0 JIAARN O=C(c1ccco1)C1=C2C(O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015996734 556103187 /nfs/dbraw/zinc/10/31/87/556103187.db2.gz FVNZLHIKXZZWEZ-CBPXPLCBSA-N 0 0 462.864 4.470 50 0 JIAARN CCCCCn1nc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c2ccccc2c1=O ZINC000023955759 556104001 /nfs/dbraw/zinc/10/40/01/556104001.db2.gz QXNFCAGLPIIVJE-UHFFFAOYSA-N 0 0 475.618 4.154 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000016000625 556105290 /nfs/dbraw/zinc/10/52/90/556105290.db2.gz AKUCGDDXZJRWQC-UHFFFAOYSA-N 0 0 450.347 4.461 50 0 JIAARN C[C@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000012738005 556106533 /nfs/dbraw/zinc/10/65/33/556106533.db2.gz PNVPTTDPSJDICK-INIZCTEOSA-N 0 0 487.423 4.289 50 0 JIAARN CC(=O)[C@@H]1[C@H](C(=O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000016001984 556107175 /nfs/dbraw/zinc/10/71/75/556107175.db2.gz BBELLZXOZFNQMS-XVOBZGQLSA-N 0 0 452.485 4.388 50 0 JIAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016010263 556109834 /nfs/dbraw/zinc/10/98/34/556109834.db2.gz KXOXXXPWMZQJKL-DDOIHHOZSA-N 0 0 490.774 4.386 50 0 JIAARN O=c1oc2cc(Oc3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)ccc2c2c1CCC2 ZINC000023983398 556111340 /nfs/dbraw/zinc/11/13/40/556111340.db2.gz NKYAVVODTZXZPN-UHFFFAOYSA-N 0 0 475.570 4.400 50 0 JIAARN COc1cc2nc(CSc3nnc(-c4ccco4)n3Cc3ccccc3)[nH]c(=O)c2cc1OC ZINC000023983999 556112423 /nfs/dbraw/zinc/11/24/23/556112423.db2.gz ZJKWFSVIUGMLEF-UHFFFAOYSA-N 0 0 475.530 4.132 50 0 JIAARN CNC(=O)c1ccc(Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)cc1 ZINC000023989439 556113167 /nfs/dbraw/zinc/11/31/67/556113167.db2.gz FTIJQHVANVBQRT-UHFFFAOYSA-N 0 0 465.604 4.355 50 0 JIAARN O=C(Nc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cccs1 ZINC000012799030 556113874 /nfs/dbraw/zinc/11/38/74/556113874.db2.gz YNRGGYOXCQDOJF-UHFFFAOYSA-N 0 0 483.977 4.341 50 0 JIAARN O=C(CSc1ncccc1C(=O)N1CC[C@@H]2CCCC[C@H]2C1)Nc1ccc2c(c1)OCO2 ZINC000012799295 556114288 /nfs/dbraw/zinc/11/42/88/556114288.db2.gz SOYITFJDJIABRY-IRXDYDNUSA-N 0 0 453.564 4.193 50 0 JIAARN Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC000024023168 556117022 /nfs/dbraw/zinc/11/70/22/556117022.db2.gz JELGNMUWNMUJPA-UHFFFAOYSA-N 0 0 452.356 4.254 50 0 JIAARN O=C(Nc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1)c1cccs1 ZINC000024028573 556117305 /nfs/dbraw/zinc/11/73/05/556117305.db2.gz OFVFVDSJHSZVKJ-UHFFFAOYSA-N 0 0 469.588 4.040 50 0 JIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(Cc4ccc(F)cc4)CC(=O)N32)cc1 ZINC000016042314 556121838 /nfs/dbraw/zinc/12/18/38/556121838.db2.gz GUESBUKSRGKTOU-SHQCIBLASA-N 0 0 469.516 4.201 50 0 JIAARN CCCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000024193012 556126052 /nfs/dbraw/zinc/12/60/52/556126052.db2.gz CZIYMCBFGZBIES-AREMUKBSSA-N 0 0 490.600 4.466 50 0 JIAARN O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1 ZINC000024246237 556127848 /nfs/dbraw/zinc/12/78/48/556127848.db2.gz CLUICCCUXCLMDR-UHFFFAOYSA-N 0 0 479.389 4.330 50 0 JIAARN COc1ccccc1-c1noc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 ZINC000012909149 556128360 /nfs/dbraw/zinc/12/83/60/556128360.db2.gz DAYALHOYLZNXOQ-UHFFFAOYSA-N 0 0 462.428 4.119 50 0 JIAARN COc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OC(=O)c1ccccc1Cl ZINC000016213363 556129333 /nfs/dbraw/zinc/12/93/33/556129333.db2.gz GQTKNLBFQFFSHI-ZSOIEALJSA-N 0 0 467.728 4.469 50 0 JIAARN Cc1ccc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@@H]2CCCO2)c(Cl)c1 ZINC000012910513 556129414 /nfs/dbraw/zinc/12/94/14/556129414.db2.gz JCRXKSGEYMJWDS-KRWDZBQOSA-N 0 0 464.035 4.386 50 0 JIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000012911095 556130105 /nfs/dbraw/zinc/13/01/05/556130105.db2.gz CBOKTVXPIKPVNQ-UHFFFAOYSA-N 0 0 466.340 4.082 50 0 JIAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc(N2CCCCC2)c2ccncc12 ZINC000024441833 556131132 /nfs/dbraw/zinc/13/11/32/556131132.db2.gz NQBMPTVCNLSRSD-UHFFFAOYSA-N 0 0 484.647 4.252 50 0 JIAARN O=C(O[C@@H](c1cc(F)cc(F)c1)C(F)(F)F)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012915495 556134625 /nfs/dbraw/zinc/13/46/25/556134625.db2.gz LBJYNFLCODBXOC-SFHVURJKSA-N 0 0 481.414 4.351 50 0 JIAARN Cc1cc(NC(=O)C2CC2)sc1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000024528536 556134890 /nfs/dbraw/zinc/13/48/90/556134890.db2.gz YWYYDQGSCXLWRB-UHFFFAOYSA-N 0 0 468.442 4.187 50 0 JIAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000012915809 556135273 /nfs/dbraw/zinc/13/52/73/556135273.db2.gz LWBWPIJPKBJTDG-LBPRGKRZSA-N 0 0 464.747 4.155 50 0 JIAARN CC(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1 ZINC000012920301 556139070 /nfs/dbraw/zinc/13/90/70/556139070.db2.gz PLRADIZLKAECBV-VWLOTQADSA-N 0 0 454.636 4.480 50 0 JIAARN O=c1c2ccccc2nc(CN2CCOCC2)n1Cc1nc(-c2cccc(Cl)c2)cs1 ZINC000012921797 556140443 /nfs/dbraw/zinc/14/04/43/556140443.db2.gz XDRVIAFMHKABRX-UHFFFAOYSA-N 0 0 452.967 4.054 50 0 JIAARN COc1ccc(NC(=O)NCC2CCN(c3nc(Cc4ccc(C)cc4)ns3)CC2)cc1 ZINC000016514231 556141855 /nfs/dbraw/zinc/14/18/55/556141855.db2.gz KDAKDBOWVKQFNT-UHFFFAOYSA-N 0 0 451.596 4.484 50 0 JIAARN COC(=O)c1ccc(Oc2nc(F)c(Cl)c3c2N(C2CCCCC2)CCS3(=O)=O)cc1 ZINC000024614249 556142280 /nfs/dbraw/zinc/14/22/80/556142280.db2.gz YUDCPMPXOUPOPF-UHFFFAOYSA-N 0 0 468.934 4.379 50 0 JIAARN COc1ccc(C)cc1NC(=O)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012924292 556142669 /nfs/dbraw/zinc/14/26/69/556142669.db2.gz BRWVXVXJEWEOAT-UHFFFAOYSA-N 0 0 456.896 4.222 50 0 JIAARN Cn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCc1nnnn1-c1ccccc1 ZINC000012924295 556142721 /nfs/dbraw/zinc/14/27/21/556142721.db2.gz VIQNPGJVUAZOQX-UHFFFAOYSA-N 0 0 450.524 4.069 50 0 JIAARN O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000012924954 556143065 /nfs/dbraw/zinc/14/30/65/556143065.db2.gz XRQBKWKDKFZBKW-UHFFFAOYSA-N 0 0 489.538 4.341 50 0 JIAARN CCCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C1=C([n+]2cccc(CC)c2)C(=O)N(CCC)C1=O ZINC000016571142 556143745 /nfs/dbraw/zinc/14/37/45/556143745.db2.gz UCVSPZBJIGVTAQ-UHFFFAOYSA-O 0 0 479.988 4.181 50 0 JIAARN CCCN1C(=O)C(c2c(=O)n(-c3cccc(Cl)c3)[n-]c2C(C)C)=C([n+]2cc(C)cc(C)c2)C1=O ZINC000016571198 556144126 /nfs/dbraw/zinc/14/41/26/556144126.db2.gz UPDUIRDTJSUFRJ-UHFFFAOYSA-O 0 0 479.988 4.406 50 0 JIAARN Cc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccc(C)c(C)c2)C(=O)N(C(C)C)C1=O ZINC000016571247 556144132 /nfs/dbraw/zinc/14/41/32/556144132.db2.gz KWZYLGJKJBNZJS-UHFFFAOYSA-O 0 0 486.379 4.243 50 0 JIAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc(F)cc3F)c2)cc1 ZINC000012926908 556144916 /nfs/dbraw/zinc/14/49/16/556144916.db2.gz CUEYUZWLNIXGKE-HNNXBMFYSA-N 0 0 460.502 4.290 50 0 JIAARN O=c1c2ccccc2nc(SCc2nnc(-c3ccccc3Cl)o2)n1CCCN1CCOCC1 ZINC000024669847 556145119 /nfs/dbraw/zinc/14/51/19/556145119.db2.gz TVIVRQOVQXBMCQ-UHFFFAOYSA-N 0 0 498.008 4.115 50 0 JIAARN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCc2nc3ccccc3s2)CC1 ZINC000024715800 556146767 /nfs/dbraw/zinc/14/67/67/556146767.db2.gz CMULGILVUAJQCE-HSZRJFAPSA-N 0 0 472.010 4.331 50 0 JIAARN CCOC(=O)Cc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1Cc1ccccc1 ZINC000024756183 556150558 /nfs/dbraw/zinc/15/05/58/556150558.db2.gz QFQWNIZHQUWCME-UHFFFAOYSA-N 0 0 458.971 4.125 50 0 JIAARN COc1ccc(-c2noc(CN3CCN(C(=O)c4cccc5c6c([nH]c54)CCCCC6)CC3)n2)cc1 ZINC000024756831 556150584 /nfs/dbraw/zinc/15/05/84/556150584.db2.gz OQVIZBPPLKRBMA-UHFFFAOYSA-N 0 0 485.588 4.453 50 0 JIAARN CCCc1noc([C@H](C)Sc2nc3cc(C(=O)OC)ccc3c(=O)n2-c2ccccc2)n1 ZINC000024759780 556151255 /nfs/dbraw/zinc/15/12/55/556151255.db2.gz VXESYNSJZHRSBX-AWEZNQCLSA-N 0 0 450.520 4.361 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)cc1 ZINC000024762464 556152182 /nfs/dbraw/zinc/15/21/82/556152182.db2.gz PSRXHNFKBBAANZ-IBGZPJMESA-N 0 0 481.574 4.155 50 0 JIAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(F)cc1 ZINC000012938577 556152653 /nfs/dbraw/zinc/15/26/53/556152653.db2.gz BWTOSNPVEOPBPV-RUZDIDTESA-N 0 0 484.531 4.179 50 0 JIAARN COc1ccccc1N(C(C)=O)c1nc(COC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cs1 ZINC000012944017 556156192 /nfs/dbraw/zinc/15/61/92/556156192.db2.gz VKDSWWJICUTZLV-QGZVFWFLSA-N 0 0 469.494 4.145 50 0 JIAARN CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1ccc(Br)cc1 ZINC000012946604 556157975 /nfs/dbraw/zinc/15/79/75/556157975.db2.gz BBGOVHCKVSPQPE-IBGZPJMESA-N 0 0 451.386 4.178 50 0 JIAARN CCOC(=O)c1c(NC(=O)CN2CCC[C@H]2C(=O)NCc2ccco2)sc(C)c1-c1ccccc1 ZINC000012947796 556158245 /nfs/dbraw/zinc/15/82/45/556158245.db2.gz PSIZYCLLXSIZOR-FQEVSTJZSA-N 0 0 495.601 4.213 50 0 JIAARN O=C(c1cccs1)N1CCCC[C@@H]1C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000012948294 556159015 /nfs/dbraw/zinc/15/90/15/556159015.db2.gz OBNRORWFBZFSNP-OAQYLSRUSA-N 0 0 498.649 4.350 50 0 JIAARN C[C@H](Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)c1nc(N)nc(N(C)C)n1 ZINC000024886986 556162508 /nfs/dbraw/zinc/16/25/08/556162508.db2.gz HKOAIXKNIVSLST-AWEZNQCLSA-N 0 0 467.002 4.333 50 0 JIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000012971340 556163177 /nfs/dbraw/zinc/16/31/77/556163177.db2.gz FUHRMWVDZFBOQG-DEOSSOPVSA-N 0 0 481.618 4.462 50 0 JIAARN COc1ccc2[nH]cc(CCNC(=O)C3CCN(c4ncnc5c6cccnc6sc54)CC3)c2c1 ZINC000016842218 556163903 /nfs/dbraw/zinc/16/39/03/556163903.db2.gz BMEUZFGOOWRHEC-UHFFFAOYSA-N 0 0 486.601 4.305 50 0 JIAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(CC(=O)Nc4cccc(OC)c4)c3c2=O)cc1 ZINC000016842419 556164592 /nfs/dbraw/zinc/16/45/92/556164592.db2.gz XYWIVYADSBXZFN-UHFFFAOYSA-N 0 0 482.540 4.364 50 0 JIAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(Br)cc1F ZINC000012973250 556164950 /nfs/dbraw/zinc/16/49/50/556164950.db2.gz WKGIEQAIIIUARH-UHFFFAOYSA-N 0 0 450.333 4.267 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc3ccc(C(=O)Nc4ccc(C)cc4)cn32)cc1OC ZINC000016843183 556165305 /nfs/dbraw/zinc/16/53/05/556165305.db2.gz CEDDVVUAPSYNBS-UHFFFAOYSA-N 0 0 477.546 4.038 50 0 JIAARN C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N(CCc2ccccc2)CCc2ccccc2)C1=O ZINC000012974028 556165771 /nfs/dbraw/zinc/16/57/71/556165771.db2.gz APNFMEJKMJZKCB-NDEPHWFRSA-N 0 0 491.538 4.046 50 0 JIAARN COc1ccc(-c2cc3c(=O)[nH]nc(SCc4cccc(Br)c4)n3n2)cc1OC ZINC000016844002 556165858 /nfs/dbraw/zinc/16/58/58/556165858.db2.gz XGWDCHLOBMCMKL-UHFFFAOYSA-N 0 0 473.352 4.157 50 0 JIAARN Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000016844736 556166490 /nfs/dbraw/zinc/16/64/90/556166490.db2.gz GSRPLZWRZCTBOA-UHFFFAOYSA-N 0 0 473.595 4.267 50 0 JIAARN O=C(NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)c1ccc(Br)o1 ZINC000012975113 556167224 /nfs/dbraw/zinc/16/72/24/556167224.db2.gz SHRDHLSYZMIZOD-LCYFTJDESA-N 0 0 455.717 4.162 50 0 JIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012975801 556168154 /nfs/dbraw/zinc/16/81/54/556168154.db2.gz NUCPQNQPZATENC-INIZCTEOSA-N 0 0 468.575 4.315 50 0 JIAARN Cc1cc(C)cc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000016846340 556168489 /nfs/dbraw/zinc/16/84/89/556168489.db2.gz WHZBPQHNBPFXSH-UHFFFAOYSA-N 0 0 455.605 4.128 50 0 JIAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000016846545 556168707 /nfs/dbraw/zinc/16/87/07/556168707.db2.gz XXDXAWYLNAEWKR-UHFFFAOYSA-N 0 0 485.543 4.418 50 0 JIAARN Cc1nn(CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c(=S)n1Cc1ccccc1 ZINC000016875857 556170876 /nfs/dbraw/zinc/17/08/76/556170876.db2.gz VRWUQIQIHPYMEQ-UHFFFAOYSA-N 0 0 462.545 4.354 50 0 JIAARN COc1cc(OC)cc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)c1 ZINC000016891231 556172626 /nfs/dbraw/zinc/17/26/26/556172626.db2.gz WUZMFGMSRWJWLQ-UQBPGWFLSA-N 0 0 465.619 4.447 50 0 JIAARN CCOc1ccc([C@@H](CNC(=O)Cc2ccc(-c3ccccc3)cc2)N2CCOCC2)cc1OC ZINC000025044079 556173559 /nfs/dbraw/zinc/17/35/59/556173559.db2.gz PTGXIFVPZNYZIP-AREMUKBSSA-N 0 0 474.601 4.493 50 0 JIAARN C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012980820 556173921 /nfs/dbraw/zinc/17/39/21/556173921.db2.gz VZVQLDIVEYCWBP-CABCVRRESA-N 0 0 466.607 4.227 50 0 JIAARN CN(CCC(=O)Nc1ccc(Br)cc1F)CC(=O)Nc1ccccc1Br ZINC000012981111 556174298 /nfs/dbraw/zinc/17/42/98/556174298.db2.gz KLXKINSYIINUFD-UHFFFAOYSA-N 0 0 487.167 4.250 50 0 JIAARN COc1ccccc1OC[C@@H](O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000016902822 556174455 /nfs/dbraw/zinc/17/44/55/556174455.db2.gz JSKYVVYVVDLZGE-NQIIRXRSSA-N 0 0 475.520 4.144 50 0 JIAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N(Cc1ccccc1)C1CC1 ZINC000025050656 556174614 /nfs/dbraw/zinc/17/46/14/556174614.db2.gz RBPHRAXMNFRIMI-SFHVURJKSA-N 0 0 477.424 4.041 50 0 JIAARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCN(C(=O)CC(C)C)CC3)cc12 ZINC000025050643 556174617 /nfs/dbraw/zinc/17/46/17/556174617.db2.gz LFVFERYOBHDIMW-UHFFFAOYSA-N 0 0 459.015 4.438 50 0 JIAARN COc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000016902962 556175010 /nfs/dbraw/zinc/17/50/10/556175010.db2.gz FHYKJZGZHFSWPR-FPOVZHCZSA-N 0 0 457.530 4.005 50 0 JIAARN CN(C(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)c1ccccc1 ZINC000012982942 556176061 /nfs/dbraw/zinc/17/60/61/556176061.db2.gz KHYYIAZVAPISLC-UHFFFAOYSA-N 0 0 459.575 4.015 50 0 JIAARN Cc1cccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000016903414 556176318 /nfs/dbraw/zinc/17/63/18/556176318.db2.gz ZWTSLUISMOWNEV-PMACEKPBSA-N 0 0 459.521 4.444 50 0 JIAARN COc1cccc([C@]2(C)NC(=O)N(CC(=O)N3c4ccccc4SC[C@@H]3c3ccccc3)C2=O)c1 ZINC000025056636 556176476 /nfs/dbraw/zinc/17/64/76/556176476.db2.gz XIXKPYUUWBMJMH-AMGIVPHBSA-N 0 0 487.581 4.342 50 0 JIAARN CC(C)(C)c1ccc(-c2ccnc3nc(N4CCN(C(=O)c5ccc(F)cc5)CC4)nn32)cc1 ZINC000025141922 556180961 /nfs/dbraw/zinc/18/09/61/556180961.db2.gz JQKVSYPLTCVAEW-UHFFFAOYSA-N 0 0 458.541 4.190 50 0 JIAARN COc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1 ZINC000012987369 556181854 /nfs/dbraw/zinc/18/18/54/556181854.db2.gz PHUNYMVSBFPXDJ-JOCHJYFZSA-N 0 0 480.989 4.252 50 0 JIAARN COc1ccc(CCNC(=O)c2cccc(-n3nc(-c4nnc(C)o4)cc3C3CC3)c2)cc1OC ZINC000025144055 556182801 /nfs/dbraw/zinc/18/28/01/556182801.db2.gz LHEGBGFAKKHZIA-UHFFFAOYSA-N 0 0 473.533 4.098 50 0 JIAARN COc1cc(OC)cc(C(=O)N2CCN(c3nc4ccccc4nc3-c3ccccc3)CC2)c1 ZINC000025144920 556183469 /nfs/dbraw/zinc/18/34/69/556183469.db2.gz WXQOPDVVSJQULB-UHFFFAOYSA-N 0 0 454.530 4.276 50 0 JIAARN CN(c1ccc(OCC(=O)Nc2ccccc2Br)cc1)S(=O)(=O)c1cccs1 ZINC000012993324 556185712 /nfs/dbraw/zinc/18/57/12/556185712.db2.gz UUWFSYRKNFODAN-UHFFFAOYSA-N 0 0 481.393 4.353 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(Cl)cc4)ccc32)cc1 ZINC000016954486 556185730 /nfs/dbraw/zinc/18/57/30/556185730.db2.gz YNBPEBNFFIBLFB-UHFFFAOYSA-N 0 0 493.006 4.291 50 0 JIAARN COCc1c(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)sc2cccc(F)c21 ZINC000012998105 556190633 /nfs/dbraw/zinc/19/06/33/556190633.db2.gz DTSDHRMFTMNRCJ-UHFFFAOYSA-N 0 0 475.973 4.237 50 0 JIAARN COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(Cl)cc3)s2)cc1OC ZINC000016991979 556195821 /nfs/dbraw/zinc/19/58/21/556195821.db2.gz OMSSGHMANSQOQL-UHFFFAOYSA-N 0 0 452.985 4.310 50 0 JIAARN COc1ccc(NC(=O)C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1OC ZINC000016992024 556195868 /nfs/dbraw/zinc/19/58/68/556195868.db2.gz OQNXGKJALGVXQT-UHFFFAOYSA-N 0 0 459.955 4.087 50 0 JIAARN COc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1 ZINC000016992797 556196520 /nfs/dbraw/zinc/19/65/20/556196520.db2.gz OHHREBFENSHQKR-IBGZPJMESA-N 0 0 494.548 4.166 50 0 JIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c1 ZINC000013007540 556199090 /nfs/dbraw/zinc/19/90/90/556199090.db2.gz QETLKPCTKRJFSH-DWACAAAGSA-N 0 0 493.604 4.132 50 0 JIAARN Cc1ccc2nc(COc3ccc(C(=O)N[C@H](c4nccn4C)c4ccccc4)cc3)cn2c1 ZINC000025159829 556199194 /nfs/dbraw/zinc/19/91/94/556199194.db2.gz HUDQBVBTSPRFAR-VWLOTQADSA-N 0 0 451.530 4.475 50 0 JIAARN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000017010254 556199740 /nfs/dbraw/zinc/19/97/40/556199740.db2.gz HHJAGALGWRVPON-UHFFFAOYSA-N 0 0 486.615 4.254 50 0 JIAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000013008974 556200461 /nfs/dbraw/zinc/20/04/61/556200461.db2.gz FUFCNLSOAAJZLL-AWEZNQCLSA-N 0 0 489.960 4.157 50 0 JIAARN COc1cccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2cccc(Cl)c2)c1OC ZINC000017011919 556202005 /nfs/dbraw/zinc/20/20/05/556202005.db2.gz GZLVMCBWKAUOSJ-UHFFFAOYSA-N 0 0 489.923 4.233 50 0 JIAARN COc1ccccc1C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000017011927 556202021 /nfs/dbraw/zinc/20/20/21/556202021.db2.gz XCCWWCBFZBIZLZ-UHFFFAOYSA-N 0 0 459.897 4.224 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)cc1C ZINC000013010151 556202403 /nfs/dbraw/zinc/20/24/03/556202403.db2.gz DWOAHRHZMPYLKW-UHFFFAOYSA-N 0 0 464.551 4.141 50 0 JIAARN CCOc1ccccc1N1C[C@@H](C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)CC1=O ZINC000013010619 556202978 /nfs/dbraw/zinc/20/29/78/556202978.db2.gz DIJINFBLUJGRTP-INIZCTEOSA-N 0 0 480.952 4.333 50 0 JIAARN O=C1C(=C(NCCc2c[nH]cn2)c2ccc(F)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000025180515 556203005 /nfs/dbraw/zinc/20/30/05/556203005.db2.gz FCESXJVQFQEBLU-UHFFFAOYSA-N 0 0 495.514 4.292 50 0 JIAARN Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000017012871 556203066 /nfs/dbraw/zinc/20/30/66/556203066.db2.gz WLAXKPHNIKTEGU-UHFFFAOYSA-N 0 0 459.575 4.193 50 0 JIAARN Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3ccccc3Br)cc2)n1 ZINC000017013536 556203475 /nfs/dbraw/zinc/20/34/75/556203475.db2.gz GWKPCDSMENFKLF-UHFFFAOYSA-N 0 0 468.355 4.380 50 0 JIAARN O=C(CCCNC(=O)c1ccco1)NCCCCOc1ccc(OCc2ccccc2)cc1 ZINC000013011808 556203835 /nfs/dbraw/zinc/20/38/35/556203835.db2.gz DSFSZDUDTVGFMF-UHFFFAOYSA-N 0 0 450.535 4.344 50 0 JIAARN Cc1ccc(CN2C[C@H](C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)CC2=O)cc1 ZINC000013013139 556204482 /nfs/dbraw/zinc/20/44/82/556204482.db2.gz YWXIVXBTISWMPW-GOSISDBHSA-N 0 0 464.953 4.238 50 0 JIAARN Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000013013433 556204585 /nfs/dbraw/zinc/20/45/85/556204585.db2.gz PMAJZDWUFKMBMI-UHFFFAOYSA-N 0 0 450.593 4.261 50 0 JIAARN CCOc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)o2)cc1 ZINC000013014055 556205219 /nfs/dbraw/zinc/20/52/19/556205219.db2.gz PAVCIGVHLAFERT-UHFFFAOYSA-N 0 0 498.605 4.298 50 0 JIAARN COc1ccc(C)cc1NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000017026417 556206087 /nfs/dbraw/zinc/20/60/87/556206087.db2.gz JDIUABMVJYSNSF-MRXNPFEDSA-N 0 0 496.614 4.397 50 0 JIAARN O=C(CSc1ncccc1C(=O)Nc1ccnn1Cc1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000013015275 556206737 /nfs/dbraw/zinc/20/67/37/556206737.db2.gz RPSCKSVQARQYCY-UHFFFAOYSA-N 0 0 487.541 4.038 50 0 JIAARN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000013015807 556207450 /nfs/dbraw/zinc/20/74/50/556207450.db2.gz YVBRGRLJUUZLQN-VWLOTQADSA-N 0 0 470.038 4.490 50 0 JIAARN CC(C)c1cc(C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c2cnn(C(C)C)c2n1 ZINC000025296444 556207963 /nfs/dbraw/zinc/20/79/63/556207963.db2.gz BNXAFQPNUSEXAA-INIZCTEOSA-N 0 0 460.542 4.179 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)COc4ccc(C)cc4)ccc32)cc1 ZINC000017043007 556209846 /nfs/dbraw/zinc/20/98/46/556209846.db2.gz HMOHSVQGYZWGTF-UHFFFAOYSA-N 0 0 466.559 4.163 50 0 JIAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc4ccccc4c3)CC2)c1 ZINC000013023717 556213215 /nfs/dbraw/zinc/21/32/15/556213215.db2.gz IQOKHNHRAVSKDN-UHFFFAOYSA-N 0 0 464.587 4.102 50 0 JIAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCn1c(=S)[nH]nc1-c1cccc(C)c1)CC3 ZINC000025453418 556216282 /nfs/dbraw/zinc/21/62/82/556216282.db2.gz VIMDJZIVZOYONT-UHFFFAOYSA-N 0 0 475.574 4.159 50 0 JIAARN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)n1Cc1ccccc1 ZINC000017130096 556220880 /nfs/dbraw/zinc/22/08/80/556220880.db2.gz JECSUIITDYKYDU-NRFANRHFSA-N 0 0 461.562 4.174 50 0 JIAARN Cc1cc(NC(=O)c2ccc(F)cc2F)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)n1 ZINC000017135722 556222965 /nfs/dbraw/zinc/22/29/65/556222965.db2.gz KALNRFXJFGAJHI-UHFFFAOYSA-N 0 0 475.459 4.163 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)ccc1Cl ZINC000025611516 556227770 /nfs/dbraw/zinc/22/77/70/556227770.db2.gz XKDUAPVOFSAJLU-LJQANCHMSA-N 0 0 481.014 4.365 50 0 JIAARN O=S(=O)(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)c1ccc(Cl)cc1 ZINC000017156881 556229393 /nfs/dbraw/zinc/22/93/93/556229393.db2.gz VQQSJHRVVUNCAR-UHFFFAOYSA-N 0 0 453.376 4.286 50 0 JIAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1cccc2cccc(Cl)c21 ZINC000013037753 556232735 /nfs/dbraw/zinc/23/27/35/556232735.db2.gz KRENCCIXABSXOP-UHFFFAOYSA-N 0 0 467.978 4.497 50 0 JIAARN C[C@@H](OC(=O)c1ccccc1SCC(=O)NC1CC1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000025780030 556234053 /nfs/dbraw/zinc/23/40/53/556234053.db2.gz JWTHDZJGKOGJMI-MRXNPFEDSA-N 0 0 482.602 4.470 50 0 JIAARN Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1C ZINC000013038081 556234581 /nfs/dbraw/zinc/23/45/81/556234581.db2.gz DDYWNQQHLXPZKS-SFHVURJKSA-N 0 0 492.542 4.056 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CN(CC)CC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000013038103 556234622 /nfs/dbraw/zinc/23/46/22/556234622.db2.gz QVXGHKROAWDSQR-UHFFFAOYSA-N 0 0 452.338 4.069 50 0 JIAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000025784164 556236024 /nfs/dbraw/zinc/23/60/24/556236024.db2.gz ADCVOXZLGWCLBO-AWEZNQCLSA-N 0 0 459.495 4.406 50 0 JIAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1ccc(Br)o1 ZINC000017191232 556237003 /nfs/dbraw/zinc/23/70/03/556237003.db2.gz UZQIZTFLGKFJCW-UHFFFAOYSA-N 0 0 461.337 4.436 50 0 JIAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 ZINC000013038961 556238477 /nfs/dbraw/zinc/23/84/77/556238477.db2.gz ADCPRRUYUAULEI-UHFFFAOYSA-N 0 0 483.615 4.050 50 0 JIAARN O=C(Cc1csc(COc2ccc(F)cc2)n1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025921196 556238748 /nfs/dbraw/zinc/23/87/48/556238748.db2.gz WNOCTJBOPUZQPS-UHFFFAOYSA-N 0 0 496.560 4.296 50 0 JIAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(F)cc3)c2=O)cc1)N1CCCCCC1 ZINC000017200736 556239438 /nfs/dbraw/zinc/23/94/38/556239438.db2.gz IZAQPCPLSKCZKG-UHFFFAOYSA-N 0 0 485.559 4.285 50 0 JIAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000025965716 556239600 /nfs/dbraw/zinc/23/96/00/556239600.db2.gz ROEHLAJEVQEZIC-UHFFFAOYSA-N 0 0 471.579 4.261 50 0 JIAARN COc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccccc4OC)nn32)cc1 ZINC000017243711 556244985 /nfs/dbraw/zinc/24/49/85/556244985.db2.gz QBWOPGJRMYYLRX-QHCPKHFHSA-N 0 0 468.517 4.285 50 0 JIAARN Cc1ccccc1N1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000013041108 556245572 /nfs/dbraw/zinc/24/55/72/556245572.db2.gz GWNXHWZVJPSKMS-IBGZPJMESA-N 0 0 477.678 4.283 50 0 JIAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)cc2)C1 ZINC000017244838 556245582 /nfs/dbraw/zinc/24/55/82/556245582.db2.gz NUSZKZZCOSBINN-HUUCEWRRSA-N 0 0 475.636 4.217 50 0 JIAARN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N(C)Cc3ccccc3Cl)c2c1C ZINC000013041344 556246559 /nfs/dbraw/zinc/24/65/59/556246559.db2.gz MWCJVWJIEKPYPI-UHFFFAOYSA-N 0 0 475.014 4.298 50 0 JIAARN COc1ccc(NC(=O)CSc2cn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c3ccccc23)c(OC)c1 ZINC000017246787 556246880 /nfs/dbraw/zinc/24/68/80/556246880.db2.gz SPBWUKGOAWOGQX-HDICACEKSA-N 0 0 497.617 4.025 50 0 JIAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(F)cc3)c3ccccc32)C[C@@H](C)O1 ZINC000017246725 556246910 /nfs/dbraw/zinc/24/69/10/556246910.db2.gz ISRIPRWISIDGRW-IAGOWNOFSA-N 0 0 455.555 4.147 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2ccc(C(C)=O)cc2CSc2ncccn2)c1 ZINC000013041721 556247413 /nfs/dbraw/zinc/24/74/13/556247413.db2.gz JHYCTORASLSDER-UHFFFAOYSA-N 0 0 499.614 4.221 50 0 JIAARN O=c1[nH]c(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)nc2ccc(Cl)cc12 ZINC000026236643 556251178 /nfs/dbraw/zinc/25/11/78/556251178.db2.gz NPYWAGSRJCPDTI-UHFFFAOYSA-N 0 0 466.998 4.104 50 0 JIAARN O=C(NCc1ccc(C(=O)N2CCCC2)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000026301492 556251777 /nfs/dbraw/zinc/25/17/77/556251777.db2.gz YCHZSCPGXPYSRU-UHFFFAOYSA-N 0 0 495.933 4.022 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nccn3nc(-c4ccc(OC)cc4)cc23)cc1 ZINC000017306518 556254048 /nfs/dbraw/zinc/25/40/48/556254048.db2.gz FPPBLORJDKEZHI-UHFFFAOYSA-N 0 0 462.531 4.312 50 0 JIAARN C[C@H](OC(=O)c1cccc(OC[C@H]2CCCO2)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000026443920 556254151 /nfs/dbraw/zinc/25/41/51/556254151.db2.gz WBWZUSBVJJOURI-YADARESESA-N 0 0 452.551 4.419 50 0 JIAARN CCC(CC)c1nnc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)s1 ZINC000026565553 556256998 /nfs/dbraw/zinc/25/69/98/556256998.db2.gz VHRMIDPGOPXXEJ-HUUCEWRRSA-N 0 0 480.656 4.369 50 0 JIAARN CCSc1nc2n(n1)[C@@H](c1cc(OC)c(O)c(OC)c1)C(C(=O)Nc1ccccc1C)=C(C)N2 ZINC000017316821 556258398 /nfs/dbraw/zinc/25/83/98/556258398.db2.gz FFIVIFPYBWJJBM-FQEVSTJZSA-N 0 0 481.578 4.349 50 0 JIAARN O=C(COc1ccc(Cl)c2ccccc12)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000017360584 556259882 /nfs/dbraw/zinc/25/98/82/556259882.db2.gz LRYYPPTUPQHJEQ-UHFFFAOYSA-N 0 0 460.939 4.001 50 0 JIAARN O=C(Cc1ccccc1)OCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000026955938 556266476 /nfs/dbraw/zinc/26/64/76/556266476.db2.gz RCLUEXVKYGMXSU-PAIGMYNKSA-N 0 0 465.549 4.445 50 0 JIAARN O=C(COc1ccc(Br)cc1Cl)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000017823500 556267622 /nfs/dbraw/zinc/26/76/22/556267622.db2.gz SQYCZIMAKFQRGY-AWEZNQCLSA-N 0 0 451.748 4.359 50 0 JIAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000013070513 556268083 /nfs/dbraw/zinc/26/80/83/556268083.db2.gz XKTYNWHRQXPGRV-UHFFFAOYSA-N 0 0 477.594 4.193 50 0 JIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1N[C@@H](NC(=O)c1ccco1)C(=O)c1cccs1 ZINC000027018430 556269596 /nfs/dbraw/zinc/26/95/96/556269596.db2.gz AWZBHLWNTKNYPW-GOSISDBHSA-N 0 0 460.533 4.141 50 0 JIAARN CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)CC1 ZINC000017882572 556269702 /nfs/dbraw/zinc/26/97/02/556269702.db2.gz DEHBFHSYIPQEKE-HNNXBMFYSA-N 0 0 467.595 4.044 50 0 JIAARN CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CC1 ZINC000013072433 556271227 /nfs/dbraw/zinc/27/12/27/556271227.db2.gz DZROICWNPGIGGY-UHFFFAOYSA-N 0 0 499.614 4.046 50 0 JIAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1OC ZINC000018030131 556277918 /nfs/dbraw/zinc/27/79/18/556277918.db2.gz DAYQNLSVLIETRN-LGVFNWMJSA-N 0 0 494.931 4.417 50 0 JIAARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000018037286 556278276 /nfs/dbraw/zinc/27/82/76/556278276.db2.gz LMTGYTVVQHRCGZ-BDTNDASRSA-N 0 0 495.329 4.214 50 0 JIAARN Cc1c(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c(=O)n(-c2ccccc2)n1C ZINC000027445556 556278688 /nfs/dbraw/zinc/27/86/88/556278688.db2.gz NVACPLXBEBONID-UHFFFAOYSA-N 0 0 468.966 4.355 50 0 JIAARN C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000018047981 556280214 /nfs/dbraw/zinc/28/02/14/556280214.db2.gz UDJFDZBQGAHGPU-NRFANRHFSA-N 0 0 480.634 4.247 50 0 JIAARN COc1cc(C(=O)Nn2c(=O)c3ccccc3nc2-c2cccc(Cl)c2)cc(OC)c1OC ZINC000027527477 556288079 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COC(=O)c1c(C)c(C)sc1NC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccccc1OC ZINC000008682518 562951451 /nfs/dbraw/zinc/95/14/51/562951451.db2.gz YYEOWAPNRSYDNJ-FRPAHBMMSA-N 0 0 486.634 4.467 50 0 JIAARN COCC(=O)Nc1cc2nc(-c3ccncc3)n(C)c2c(C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000012026156 562958523 /nfs/dbraw/zinc/95/85/23/562958523.db2.gz DAZHSZHLKBYQEL-QFIPXVFZSA-N 0 0 469.545 4.028 50 0 JIAARN COc1ccccc1-c1ccnc(-n2ncc(C(=O)N[C@@H](c3cccnc3)C(F)(F)F)c2C)n1 ZINC000012079322 562959145 /nfs/dbraw/zinc/95/91/45/562959145.db2.gz VEZKLVZQCSKYIH-FQEVSTJZSA-N 0 0 468.439 4.075 50 0 JIAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000032999525 563110254 /nfs/dbraw/zinc/11/02/54/563110254.db2.gz OMDLLCOTEWMYKX-BUHFOSPRSA-N 0 0 497.958 4.432 50 0 JIAARN COc1cc(OC)c(OC)cc1CN(C)[C@@H](c1nnnn1-c1ccccc1C)c1ccccc1 ZINC000055447631 563206045 /nfs/dbraw/zinc/20/60/45/563206045.db2.gz MKGLHEFJSNUHSC-RUZDIDTESA-N 0 0 459.550 4.218 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3)CC2)c(C)c1 ZINC000056946291 563206387 /nfs/dbraw/zinc/20/63/87/563206387.db2.gz UDKMYRLNSMWMGY-HSZRJFAPSA-N 0 0 453.608 4.047 50 0 JIAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000008440656 569589991 /nfs/dbraw/zinc/58/99/91/569589991.db2.gz RYBZVXDARMQBBN-LBPRGKRZSA-N 0 0 487.430 4.103 50 0 JIAARN Cc1nc(CN(C)Cc2ccc(C(=O)NC3c4ccccc4-c4ccccc43)c(=O)[nH]2)cs1 ZINC000055118752 569590877 /nfs/dbraw/zinc/59/08/77/569590877.db2.gz KQAGYEWFRAYJJC-UHFFFAOYSA-N 0 0 456.571 4.272 50 0 JIAARN CCCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)sc2C1 ZINC000056928510 569592505 /nfs/dbraw/zinc/59/25/05/569592505.db2.gz CDGQBOGSWKXIRY-UHFFFAOYSA-N 0 0 492.711 4.466 50 0 JIAARN CCN1CCN(C(=O)N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000056964072 569593823 /nfs/dbraw/zinc/59/38/23/569593823.db2.gz OYWYNXRWYCXEMN-UHFFFAOYSA-N 0 0 470.422 4.250 50 0 JIAARN CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000008704780 569593967 /nfs/dbraw/zinc/59/39/67/569593967.db2.gz STPLKCXWDNPSHC-QGZVFWFLSA-N 0 0 468.579 4.213 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(Cl)s3)c2)cc1 ZINC000008705199 569594048 /nfs/dbraw/zinc/59/40/48/569594048.db2.gz FRYRFJJVRUFRSQ-UHFFFAOYSA-N 0 0 450.969 4.483 50 0 JIAARN CNC(=O)NC(=O)CSc1nnc(-c2sc(-c3ccccc3)cc2N)n1-c1ccc(C)cc1 ZINC000008707070 569594662 /nfs/dbraw/zinc/59/46/62/569594662.db2.gz WUSAKURISBOGLD-UHFFFAOYSA-N 0 0 478.603 4.101 50 0 JIAARN C[C@@H](OC(=O)[C@H]1CCCN1c1ncnc2ccccc21)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000008709233 569595305 /nfs/dbraw/zinc/59/53/05/569595305.db2.gz RBUJLODUFJULPX-VGOFRKELSA-N 0 0 474.561 4.398 50 0 JIAARN CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccccc3C(=O)Nc3ccccc3)CC2)c(F)c1 ZINC000057289929 569595624 /nfs/dbraw/zinc/59/56/24/569595624.db2.gz HWNCFFXXMGFQSR-UHFFFAOYSA-N 0 0 474.536 4.041 50 0 JIAARN COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nncn3-c3ccccc3)cc2)cc1 ZINC000008710420 569595750 /nfs/dbraw/zinc/59/57/50/569595750.db2.gz WZUQCYVRIZDDPU-UHFFFAOYSA-N 0 0 459.531 4.259 50 0 JIAARN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000008710583 569595760 /nfs/dbraw/zinc/59/57/60/569595760.db2.gz NGAHBDPVABDGFE-UHFFFAOYSA-N 0 0 465.579 4.150 50 0 JIAARN Cc1cc(CSc2ccccc2C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)no1 ZINC000057292110 569595922 /nfs/dbraw/zinc/59/59/22/569595922.db2.gz MLFYYVNNRJMNBS-UHFFFAOYSA-N 0 0 478.618 4.289 50 0 JIAARN CCN(CC)C(=O)CN1CCN(c2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)CC1 ZINC000057303558 569596088 /nfs/dbraw/zinc/59/60/88/569596088.db2.gz HGFGTGIECXVFIU-UHFFFAOYSA-N 0 0 495.718 4.463 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COc2ccccc2Br)c1 ZINC000008718605 569597065 /nfs/dbraw/zinc/59/70/65/569597065.db2.gz FXFBQLVZLNMXIK-UHFFFAOYSA-N 0 0 475.364 4.292 50 0 JIAARN C[C@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccncc1 ZINC000008721389 569598501 /nfs/dbraw/zinc/59/85/01/569598501.db2.gz TZYPEMNBJICWHR-IBGZPJMESA-N 0 0 475.570 4.316 50 0 JIAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2C(=O)NC2CCCCC2)cc1OC ZINC000008722778 569598998 /nfs/dbraw/zinc/59/89/98/569598998.db2.gz FVXHIFWZSOKKOC-FYWRMAATSA-N 0 0 467.591 4.293 50 0 JIAARN CC[C@H](c1nnc(SCC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)n1Cc1ccccc1)N(C)C ZINC000008723675 569599262 /nfs/dbraw/zinc/59/92/62/569599262.db2.gz QBHDIZKZJZNFKN-BHDDXSALSA-N 0 0 455.672 4.470 50 0 JIAARN C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000008723736 569599294 /nfs/dbraw/zinc/59/92/94/569599294.db2.gz GAJLPJQCBFUOHG-QGZVFWFLSA-N 0 0 487.560 4.463 50 0 JIAARN O=C(C1CCN(Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)CC1)N1CCCCCC1 ZINC000057378701 569599560 /nfs/dbraw/zinc/59/95/60/569599560.db2.gz PZMBZBGXBKLNTG-UHFFFAOYSA-N 0 0 468.598 4.405 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1[C@H](C)c1ccccc1 ZINC000008727527 569601061 /nfs/dbraw/zinc/60/10/61/569601061.db2.gz CMGBUYQFDVRKCA-CLYVBNDRSA-N 0 0 457.530 4.127 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2OC)cc1 ZINC000057425623 569601539 /nfs/dbraw/zinc/60/15/39/569601539.db2.gz MPVURCAOQZLURE-UHFFFAOYSA-N 0 0 467.572 4.254 50 0 JIAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000008729148 569601571 /nfs/dbraw/zinc/60/15/71/569601571.db2.gz UCKWUXHUBJWOSL-FQEVSTJZSA-N 0 0 455.514 4.460 50 0 JIAARN COc1ccccc1Cn1c(=O)c2sccc2nc1SCC(=O)Nc1cccc(F)c1 ZINC000057425654 569601596 /nfs/dbraw/zinc/60/15/96/569601596.db2.gz XUQAHTBVSDPGST-UHFFFAOYSA-N 0 0 455.536 4.385 50 0 JIAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1F)N1CCc2ccccc21 ZINC000057426126 569601719 /nfs/dbraw/zinc/60/17/19/569601719.db2.gz AMDFSOJKFKEVTD-UHFFFAOYSA-N 0 0 451.548 4.327 50 0 JIAARN Cc1ccc(-c2nc(CC(=O)N3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)cs2)cc1 ZINC000008734321 569601754 /nfs/dbraw/zinc/60/17/54/569601754.db2.gz FXBNOAMKPHOULI-HSZRJFAPSA-N 0 0 461.587 4.468 50 0 JIAARN Cc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1C ZINC000008733914 569601781 /nfs/dbraw/zinc/60/17/81/569601781.db2.gz XOHAOAWXBIBLBO-NRFANRHFSA-N 0 0 472.589 4.303 50 0 JIAARN COC(=O)CNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1cccc(C)c1 ZINC000032977660 569606365 /nfs/dbraw/zinc/60/63/65/569606365.db2.gz UVMOCUQDJZJZQU-VWLOTQADSA-N 0 0 469.545 4.067 50 0 JIAARN CCc1nn(-c2ccccc2)c2c1CN(C(=O)NCC(=O)OC)[C@H](c1ccc(F)cc1)c1cccn1-2 ZINC000032977754 569606502 /nfs/dbraw/zinc/60/65/02/569606502.db2.gz FCHZFPGZAUZPEC-RUZDIDTESA-N 0 0 487.535 4.152 50 0 JIAARN O=C(c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2)N1CCN(c2ccccn2)CC1 ZINC000032983535 569606825 /nfs/dbraw/zinc/60/68/25/569606825.db2.gz ASBTYCQWKDWHTG-PXLXIMEGSA-N 0 0 460.921 4.069 50 0 JIAARN COc1cccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)/C(=C\c3ccccc3OC)O4)CC2)c1 ZINC000032983680 569607026 /nfs/dbraw/zinc/60/70/26/569607026.db2.gz ODSKESHUEZOULO-YZSQISJMSA-N 0 0 485.540 4.038 50 0 JIAARN COC(=O)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000032986962 569609154 /nfs/dbraw/zinc/60/91/54/569609154.db2.gz DLDUUCSSUWIDPK-QFIPXVFZSA-N 0 0 456.951 4.484 50 0 JIAARN Cc1ccccc1NC(=O)c1nnc(CSCC(=O)N[C@H](C)CCc2ccccc2)s1 ZINC000032987320 569609378 /nfs/dbraw/zinc/60/93/78/569609378.db2.gz UHOIDJVAIGOJDV-QGZVFWFLSA-N 0 0 454.621 4.470 50 0 JIAARN O=C(CSCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCc1cccc(Cl)c1 ZINC000032987234 569609413 /nfs/dbraw/zinc/60/94/13/569609413.db2.gz WYCHVRKWXOBIIB-UHFFFAOYSA-N 0 0 450.948 4.133 50 0 JIAARN COC(=O)c1ccc(NC(=O)CC/C(C)=C/Cc2c(OC)c3c(c(C)c2OC)COC3=O)cc1 ZINC000062001709 569610150 /nfs/dbraw/zinc/61/01/50/569610150.db2.gz KHJQEFFEXHPHJE-GIDUJCDVSA-N 0 0 467.518 4.377 50 0 biogenic JIAARN COc1cc(C(=O)Nc2ccccc2Sc2c(C)c(C)nc3ncnn32)cc(OC)c1OC ZINC000032995740 569610287 /nfs/dbraw/zinc/61/02/87/569610287.db2.gz RNQMARMJEJHCLU-UHFFFAOYSA-N 0 0 465.535 4.170 50 0 JIAARN COc1ccccc1OCCNC(=O)CC/C(C)=C/Cc1c(OC)c2c(c(C)c1OC)COC2=O ZINC000062001728 569610296 /nfs/dbraw/zinc/61/02/96/569610296.db2.gz ZKNHRHSXRDIRLR-LICLKQGHSA-N 0 0 483.561 4.155 50 0 biogenic JIAARN Cc1cccc(-c2nn3c(nc(N4CCN(C(=O)Nc5ccc(Cl)cc5)CC4)cc3=O)s2)c1 ZINC000032996166 569610521 /nfs/dbraw/zinc/61/05/21/569610521.db2.gz QRLHHXDEOZYVAC-UHFFFAOYSA-N 0 0 480.981 4.134 50 0 JIAARN CCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)Cc1csc(NC(=O)c2ccoc2C)n1 ZINC000062569568 569611288 /nfs/dbraw/zinc/61/12/88/569611288.db2.gz ANUAJUCFNFRGEV-UHFFFAOYSA-N 0 0 475.954 4.085 50 0 JIAARN Cc1ccc(NC(=O)CNC(=O)c2ccc(F)cc2F)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000062571985 569611414 /nfs/dbraw/zinc/61/14/14/569611414.db2.gz DRCRGIJJYHXDKP-UHFFFAOYSA-N 0 0 493.919 4.096 50 0 JIAARN COc1ccc(Br)cc1S(=O)(=O)N[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000062580288 569611725 /nfs/dbraw/zinc/61/17/25/569611725.db2.gz UOZZGSGFMDFSMI-OAQYLSRUSA-N 0 0 486.391 4.412 50 0 JIAARN C[C@H](NC(=O)c1oc2ccccc2c1CSc1nccn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000062581933 569611838 /nfs/dbraw/zinc/61/18/38/569611838.db2.gz LPCAGXQJMXQSMH-HNNXBMFYSA-N 0 0 469.588 4.353 50 0 JIAARN CC(C)c1ccc(N(CC(=O)Nc2nc3c(s2)CN(C)CC3)S(=O)(=O)c2ccccc2)cc1 ZINC000032997970 569611905 /nfs/dbraw/zinc/61/19/05/569611905.db2.gz 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ZINC000065319090 569673732 /nfs/dbraw/zinc/67/37/32/569673732.db2.gz XMWJHKJBPRGCEM-UHFFFAOYSA-N 0 0 454.552 4.170 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nc3nc(N(CC)CC)sc3c(=O)n2C(C)C)cc1 ZINC000065319426 569674000 /nfs/dbraw/zinc/67/40/00/569674000.db2.gz RCHCDGMXJPBNPY-UHFFFAOYSA-N 0 0 475.640 4.410 50 0 JIAARN CCn1c(=O)c2sc(N3CCC(C)CC3)nc2nc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000065319597 569674064 /nfs/dbraw/zinc/67/40/64/569674064.db2.gz GIPQRZKHBZSFOF-UHFFFAOYSA-N 0 0 471.652 4.457 50 0 JIAARN Cc1ccc(CNC(=O)CSc2nc3nc(N4CCCCC4)sc3c(=O)n2C(C)C)cc1 ZINC000065319569 569674092 /nfs/dbraw/zinc/67/40/92/569674092.db2.gz MAVLIEYHHQOTIF-UHFFFAOYSA-N 0 0 471.652 4.141 50 0 JIAARN CCCn1c(=O)c2sc(N3CCC(C)CC3)nc2nc1SCC(=O)Nc1ccccc1OC ZINC000065319677 569674170 /nfs/dbraw/zinc/67/41/70/569674170.db2.gz FMGZAFXUJYEBJZ-UHFFFAOYSA-N 0 0 487.651 4.239 50 0 JIAARN O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000065320718 569674629 /nfs/dbraw/zinc/67/46/29/569674629.db2.gz CPKCZHLFCVDXFE-MRXNPFEDSA-N 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Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3C(F)(F)F)c2=O)cc1C ZINC000067217992 569679877 /nfs/dbraw/zinc/67/98/77/569679877.db2.gz SOQNWYBHKNIBCX-UHFFFAOYSA-N 0 0 473.476 4.488 50 0 JIAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccc(Cl)cc2)c1=O)Nc1ccc(F)cc1Cl ZINC000067218177 569680018 /nfs/dbraw/zinc/68/00/18/569680018.db2.gz XAVBDPRFPUEJLX-UHFFFAOYSA-N 0 0 464.305 4.299 50 0 JIAARN Cc1cccc(-c2noc(-c3cccn4c(=O)n(CC(=O)Nc5ccc(C)cc5Cl)nc34)n2)c1 ZINC000067218833 569680325 /nfs/dbraw/zinc/68/03/25/569680325.db2.gz MIOKBJJDRGSGAG-UHFFFAOYSA-N 0 0 474.908 4.122 50 0 JIAARN CCc1cccc(NC(=O)Cn2nc3c(-c4nc(-c5ccc(Cl)cc5)no4)cccn3c2=O)c1 ZINC000067218961 569680444 /nfs/dbraw/zinc/68/04/44/569680444.db2.gz SNJALSNLQGMXER-UHFFFAOYSA-N 0 0 474.908 4.068 50 0 JIAARN CC(C)c1ccc(NC(=O)Cn2nc3c(-c4nc(-c5cccc(F)c5)no4)cccn3c2=O)cc1 ZINC000067219248 569680596 /nfs/dbraw/zinc/68/05/96/569680596.db2.gz WUNLETCIZODLBE-UHFFFAOYSA-N 0 0 472.480 4.114 50 0 JIAARN CC(C)c1cccc(NC(=O)Cn2nc3c(-c4nc(-c5cccc(F)c5)no4)cccn3c2=O)c1 ZINC000067219304 569680605 /nfs/dbraw/zinc/68/06/05/569680605.db2.gz AQKYYCZUVNYROG-UHFFFAOYSA-N 0 0 472.480 4.114 50 0 JIAARN O=C(Cn1nc2c(-c3nc(-c4cccc(Cl)c4)no3)cccn2c1=O)Nc1ccc(Cl)cc1F ZINC000067219402 569680670 /nfs/dbraw/zinc/68/06/70/569680670.db2.gz VADFRQBZPAYOOL-UHFFFAOYSA-N 0 0 499.289 4.298 50 0 JIAARN Cc1ccc(NC(=O)Cn2nc3c(-c4nc(-c5cccc(Cl)c5)no4)cccn3c2=O)c(Cl)c1 ZINC000067219392 569680691 /nfs/dbraw/zinc/68/06/91/569680691.db2.gz GIYVJZLFPBMNTN-UHFFFAOYSA-N 0 0 495.326 4.467 50 0 JIAARN CSc1cccc(NC(=O)Cn2nc3c(-c4nc(-c5cccc(Cl)c5)no4)cccn3c2=O)c1 ZINC000067219410 569680735 /nfs/dbraw/zinc/68/07/35/569680735.db2.gz SUXOPDMTHYWRGA-UHFFFAOYSA-N 0 0 492.948 4.227 50 0 JIAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cccc(Cl)c4C)c3N)c(C)o2)cc1OC ZINC000067225390 569680856 /nfs/dbraw/zinc/68/08/56/569680856.db2.gz QFGZKEJNWGYEGO-UHFFFAOYSA-N 0 0 496.955 4.493 50 0 JIAARN CCOc1ccc2sc(NC(=O)CSc3nc4cc(C)[nH]c4c(=O)n3CC(C)C)nc2c1 ZINC000067237900 569681679 /nfs/dbraw/zinc/68/16/79/569681679.db2.gz MSSLUEMOCYQKHJ-UHFFFAOYSA-N 0 0 471.608 4.428 50 0 JIAARN COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000067257711 569682381 /nfs/dbraw/zinc/68/23/81/569682381.db2.gz NDZGLQSAOCWDDI-UHFFFAOYSA-N 0 0 455.536 4.217 50 0 JIAARN COc1ccc(CSc2ncc3c(n2)-c2cc(Cl)ccc2N(C)S3(=O)=O)cc1F ZINC000067260129 569682460 /nfs/dbraw/zinc/68/24/60/569682460.db2.gz SGZHWPYHKWHZMF-UHFFFAOYSA-N 0 0 451.932 4.376 50 0 JIAARN CCOc1ccc(CNC(=O)CCn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)cc1 ZINC000067260970 569682745 /nfs/dbraw/zinc/68/27/45/569682745.db2.gz WGKSAGNMFFWTGW-UHFFFAOYSA-N 0 0 458.562 4.392 50 0 JIAARN CC(C)Oc1ccc([C@@H]2OCC(C)(C)n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000035373182 569683680 /nfs/dbraw/zinc/68/36/80/569683680.db2.gz NCQIDTCNPSSKKI-VWLOTQADSA-N 0 0 473.573 4.348 50 0 JIAARN COc1ccc(-c2cc3n(n2)CCC(=O)N3Cc2ccc(C(=O)NCc3ccc(C)o3)cc2)cc1 ZINC000035373828 569683833 /nfs/dbraw/zinc/68/38/33/569683833.db2.gz FRHQLMXLPSVMDH-UHFFFAOYSA-N 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CCc1ccccc1NC(=O)Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21 ZINC000067318445 569686961 /nfs/dbraw/zinc/68/69/61/569686961.db2.gz POXQEUQDDLKSGG-UHFFFAOYSA-N 0 0 451.486 4.315 50 0 JIAARN COc1ccc(NC(=O)Cn2c(=O)cc(-c3nc(-c4cccnc4)no3)c3ccccc32)cc1Cl ZINC000067318424 569686969 /nfs/dbraw/zinc/68/69/69/569686969.db2.gz VEMXSMQYERCSSR-UHFFFAOYSA-N 0 0 487.903 4.414 50 0 JIAARN COc1cc(CN(C)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)ccc1OCc1ccccc1 ZINC000035392749 569687124 /nfs/dbraw/zinc/68/71/24/569687124.db2.gz DWCLCUMWKCMRIH-BCHFMIIMSA-N 0 0 451.567 4.164 50 0 JIAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1CC(=O)Nc1cc(Cl)ccc1C ZINC000067323358 569687565 /nfs/dbraw/zinc/68/75/65/569687565.db2.gz LQYWPSZLPXERLO-UHFFFAOYSA-N 0 0 451.836 4.458 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)Nc2cnc(N3CCC([NH+]4CCCCC4)CC3)c(C(=O)[O-])c2)cc1 ZINC000035397549 569688264 /nfs/dbraw/zinc/68/82/64/569688264.db2.gz JLRNKFZIBYLOHT-UHFFFAOYSA-N 0 0 486.638 4.159 50 0 JIAARN O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21)Nc1cc(Cl)cc(Cl)c1 ZINC000067689521 569689533 /nfs/dbraw/zinc/68/95/33/569689533.db2.gz YLLGHXHZPYFTKC-UHFFFAOYSA-N 0 0 474.369 4.413 50 0 JIAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)cc1 ZINC000035399281 569689646 /nfs/dbraw/zinc/68/96/46/569689646.db2.gz PFWONKHGFAWQCV-UHFFFAOYSA-N 0 0 464.591 4.240 50 0 biogenic JIAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC2(CC1)Nc1ccc(C)c(C)c1-n1cccc12 ZINC000035399383 569689844 /nfs/dbraw/zinc/68/98/44/569689844.db2.gz WHTVNIIUCXBKOV-UHFFFAOYSA-N 0 0 478.618 4.466 50 0 biogenic JIAARN COc1cc(CCC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc(OC)c1OC ZINC000035399418 569689845 /nfs/dbraw/zinc/68/98/45/569689845.db2.gz XQZZRZNTLBYPBM-UHFFFAOYSA-N 0 0 461.562 4.379 50 0 biogenic JIAARN COc1ccc(Cn2cnc3c4ccccc4n(CC(=O)NCc4ccc(Cl)cc4)c3c2=O)cc1 ZINC000035399694 569690034 /nfs/dbraw/zinc/69/00/34/569690034.db2.gz VFTYXSRXVDJZBI-UHFFFAOYSA-N 0 0 486.959 4.378 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2cccc(OC)c2)cc1 ZINC000067689958 569690542 /nfs/dbraw/zinc/69/05/42/569690542.db2.gz VOAVFNCPOODGSA-UHFFFAOYSA-N 0 0 495.582 4.032 50 0 JIAARN COc1cccc(Cn2c(SCC(=O)Nc3ccc(NC(C)=O)cc3)nc3ccsc3c2=O)c1 ZINC000067689966 569690549 /nfs/dbraw/zinc/69/05/49/569690549.db2.gz SOHWMCCBUGVFBH-UHFFFAOYSA-N 0 0 494.598 4.204 50 0 JIAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000068713125 569691660 /nfs/dbraw/zinc/69/16/60/569691660.db2.gz CJEIXNKBVVKDMU-VWLOTQADSA-N 0 0 451.906 4.365 50 0 JIAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000035414344 569692129 /nfs/dbraw/zinc/69/21/29/569692129.db2.gz XKWGCBGGCIYDIB-HSZRJFAPSA-N 0 0 482.540 4.162 50 0 JIAARN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3ccccc3C(=O)c3ccc(F)cc3)C2)cc1 ZINC000068834108 569692459 /nfs/dbraw/zinc/69/24/59/569692459.db2.gz JUXFQQNKGMSEMD-FQEVSTJZSA-N 0 0 494.588 4.196 50 0 JIAARN COCCCn1c(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nc2cc(C(=O)OC)ccc2c1=O ZINC000068883879 569692497 /nfs/dbraw/zinc/69/24/97/569692497.db2.gz ZMHBFXNBAHITDZ-UYTITELCSA-N 0 0 498.645 4.486 50 0 JIAARN Cc1nnnn1-c1ccc(F)c(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)c1 ZINC000069370664 569692720 /nfs/dbraw/zinc/69/27/20/569692720.db2.gz PFUVHKMTSUZDOR-UHFFFAOYSA-N 0 0 463.860 4.461 50 0 JIAARN Cc1ccc(NC(=O)Cn2nc3c(Oc4ccc(F)cc4)nc4ccccc4n3c2=O)c(C)c1 ZINC000035425194 569693441 /nfs/dbraw/zinc/69/34/41/569693441.db2.gz GTCJIAMMFZRDCJ-UHFFFAOYSA-N 0 0 457.465 4.231 50 0 JIAARN Cc1cc(=O)c(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)nn1-c1cccc(C(F)(F)F)c1 ZINC000069605947 569693560 /nfs/dbraw/zinc/69/35/60/569693560.db2.gz IKSBLFGIDNFLFL-UHFFFAOYSA-N 0 0 487.482 4.020 50 0 JIAARN Cc1ccc(C)c(NC(=O)CN2c3cc(C(=O)N4CCCCC4)ccc3N3CCCC[C@@H]3C2=O)c1 ZINC000035446071 569695800 /nfs/dbraw/zinc/69/58/00/569695800.db2.gz KEHNMOSACFPBEI-XMMPIXPASA-N 0 0 474.605 4.274 50 0 JIAARN Cc1ccc(NC(=O)CN2c3cc(C(=O)N4CCCCC4)ccc3N3CCCC[C@@H]3C2=O)cc1C ZINC000035446086 569695850 /nfs/dbraw/zinc/69/58/50/569695850.db2.gz MBMQJRUUQWFNOW-XMMPIXPASA-N 0 0 474.605 4.274 50 0 JIAARN CCOC(=O)C[C@H](c1ccc(-c2ccc(Cl)cc2Cl)o1)c1oc(CO)cc(=O)c1O ZINC000071282014 569696106 /nfs/dbraw/zinc/69/61/06/569696106.db2.gz PWMQMTZOXVRHJA-CQSZACIVSA-N 0 0 453.274 4.490 50 0 JIAARN COc1ccc([C@@H](C)NC(=O)c2cn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)cn2)cc1OC ZINC000071768409 569697589 /nfs/dbraw/zinc/69/75/89/569697589.db2.gz KXZDAHDBNFLYCV-OAHLLOKOSA-N 0 0 476.537 4.123 50 0 JIAARN O=C(NC[C@H]1CCCO1)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000035512266 569698416 /nfs/dbraw/zinc/69/84/16/569698416.db2.gz GAILGFWTWJSXOT-JOCHJYFZSA-N 0 0 450.970 4.124 50 0 JIAARN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1nc(-c2ccc(OC)cc2)no1 ZINC000035527644 569699309 /nfs/dbraw/zinc/69/93/09/569699309.db2.gz CTIFCCXUJDEGMK-UHFFFAOYSA-N 0 0 464.551 4.371 50 0 JIAARN COc1ccccc1N1CCN(C(=O)COc2ccccc2-c2nc(-c3cccc(C)c3)no2)CC1 ZINC000035528339 569699654 /nfs/dbraw/zinc/69/96/54/569699654.db2.gz IYKFJIGVQZDKDF-UHFFFAOYSA-N 0 0 484.556 4.448 50 0 JIAARN CCCCCn1c2nnc(CCC(=O)N[C@H](C)CCc3ccccc3)n2c2ccsc2c1=O ZINC000035528635 569699890 /nfs/dbraw/zinc/69/98/90/569699890.db2.gz PGOYOEXUJWJPJR-GOSISDBHSA-N 0 0 465.623 4.366 50 0 JIAARN COc1ccc(Cn2c3nnc(SCc4cccc(OC)c4)n3c3ccsc3c2=O)cc1 ZINC000035529333 569700055 /nfs/dbraw/zinc/70/00/55/569700055.db2.gz ZHOUWEGWMPLYIZ-UHFFFAOYSA-N 0 0 464.572 4.464 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3CCC(C)C)cc1 ZINC000035531696 569700473 /nfs/dbraw/zinc/70/04/73/569700473.db2.gz WEAVCDRBBVTETN-UHFFFAOYSA-N 0 0 471.608 4.281 50 0 JIAARN Cc1ccc2c(c1)N(C(=O)CSc1ncnc3nc(N4CCC[C@H](C)C4)sc31)CCO2 ZINC000035533686 569701141 /nfs/dbraw/zinc/70/11/41/569701141.db2.gz UMMVRUDASJRIHH-HNNXBMFYSA-N 0 0 455.609 4.149 50 0 JIAARN COc1ccc(CNC(=O)CSc2ncnc3nc(N4CCc5ccccc5C4)sc32)cc1 ZINC000035533875 569701208 /nfs/dbraw/zinc/70/12/08/569701208.db2.gz GUMPXZGYEPKGKI-UHFFFAOYSA-N 0 0 477.615 4.066 50 0 JIAARN O=C(CSc1ncnc2nc(N3CCc4ccccc4C3)sc21)NCCc1ccccc1 ZINC000035533897 569701272 /nfs/dbraw/zinc/70/12/72/569701272.db2.gz ZIMWTGLPROWXIW-UHFFFAOYSA-N 0 0 461.616 4.100 50 0 JIAARN COc1cc(C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cc(OC)c1OCC(N)=O ZINC000072272694 569701274 /nfs/dbraw/zinc/70/12/74/569701274.db2.gz WFVLCZYWAZLZMW-ZDUSSCGKSA-N 0 0 485.389 4.106 50 0 JIAARN COc1ccccc1NC(=O)CSc1ncnc2nc(N(C)Cc3ccccc3)sc21 ZINC000035534125 569701434 /nfs/dbraw/zinc/70/14/34/569701434.db2.gz ALTIXMYTOANAKL-UHFFFAOYSA-N 0 0 451.577 4.462 50 0 JIAARN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 ZINC000072296350 569701842 /nfs/dbraw/zinc/70/18/42/569701842.db2.gz ZJHCSIMMHQEOTR-UHFFFAOYSA-N 0 0 487.995 4.948 50 0 JIAARN O=C(Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Br)ccc21)Nc1ccc(F)c(F)c1 ZINC000035535343 569701868 /nfs/dbraw/zinc/70/18/68/569701868.db2.gz AERIRICQALKMSU-UHFFFAOYSA-N 0 0 498.283 4.307 50 0 JIAARN Cn1c(Cc2csc(NC(=O)c3cc(-c4ccncc4)nc4ccccc43)n2)n[nH]c1=S ZINC000072318907 569702130 /nfs/dbraw/zinc/70/21/30/569702130.db2.gz SHLLRZISRJORNP-UHFFFAOYSA-N 0 0 459.560 4.387 50 0 JIAARN CCOC(=O)c1cccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000035553536 569702484 /nfs/dbraw/zinc/70/24/84/569702484.db2.gz YSMZBBFFYUOZJK-VWLOTQADSA-N 0 0 465.575 4.357 50 0 JIAARN COc1cc(OC)cc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000035553504 569702509 /nfs/dbraw/zinc/70/25/09/569702509.db2.gz VALNEWRMYQURIA-AREMUKBSSA-N 0 0 475.570 4.456 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C)c4C)CC3)c(C)s2)no1 ZINC000035553817 569702607 /nfs/dbraw/zinc/70/26/07/569702607.db2.gz RHBAGRQDMDAOGR-UHFFFAOYSA-N 0 0 488.635 4.325 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cccc(Cl)c4)C3)c(C)s2)no1 ZINC000035555575 569702908 /nfs/dbraw/zinc/70/29/08/569702908.db2.gz ZCKAIIRHRXKCQD-AWEZNQCLSA-N 0 0 495.026 4.362 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccccc4Cl)C3)c(C)s2)no1 ZINC000035555520 569702934 /nfs/dbraw/zinc/70/29/34/569702934.db2.gz QJAPELZFULXRGD-AWEZNQCLSA-N 0 0 480.999 4.108 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccc(C)c4C)C3)c(C)s2)no1 ZINC000035555601 569702963 /nfs/dbraw/zinc/70/29/63/569702963.db2.gz FDQNYXRDEIXQKT-QGZVFWFLSA-N 0 0 488.635 4.325 50 0 JIAARN CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)CC2)cc1 ZINC000035556651 569703203 /nfs/dbraw/zinc/70/32/03/569703203.db2.gz JDDZGUNMXUPHCX-UHFFFAOYSA-N 0 0 474.608 4.017 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1)N1CCc2ccccc21 ZINC000035558228 569703536 /nfs/dbraw/zinc/70/35/36/569703536.db2.gz MVBRDGKXNFRKCV-UHFFFAOYSA-N 0 0 498.630 4.056 50 0 JIAARN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)NCCc3c[nH]c4ccc(C)cc34)C2)c(C)c1C(=O)OC(C)C ZINC000035559127 569703580 /nfs/dbraw/zinc/70/35/80/569703580.db2.gz FTUXOIVMGYKCOT-OAQYLSRUSA-N 0 0 492.620 4.198 50 0 JIAARN Cc1cccc(Nc2ccc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)nn2)n1 ZINC000072437482 569704168 /nfs/dbraw/zinc/70/41/68/569704168.db2.gz CVBRRNWYIBUABX-UHFFFAOYSA-N 0 0 464.573 4.404 50 0 JIAARN COc1ccc(Br)cc1CNC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035561903 569704515 /nfs/dbraw/zinc/70/45/15/569704515.db2.gz UINPGLORBQFJOZ-UHFFFAOYSA-N 0 0 484.394 4.498 50 0 JIAARN CCOC(=O)[C@H]1CCc2sc(NC(=O)CN(C)c3nc4c(cccc4C(F)(F)F)s3)nc21 ZINC000077196832 569705056 /nfs/dbraw/zinc/70/50/56/569705056.db2.gz YJNALJQUCMCTAN-JTQLQIEISA-N 0 0 484.525 4.439 50 0 JIAARN COC(=O)c1ccc(Cn2nc(-c3ccc(F)cc3)c3sc(N4CCCC4)nc3c2=O)cc1 ZINC000035590677 569705169 /nfs/dbraw/zinc/70/51/69/569705169.db2.gz OVCFPNZQBSCTQW-UHFFFAOYSA-N 0 0 464.522 4.094 50 0 JIAARN O=C(Cn1nc(-c2ccc(F)cc2)c2sc(N3CCCC3)nc2c1=O)Nc1cccc(F)c1 ZINC000035590650 569705219 /nfs/dbraw/zinc/70/52/19/569705219.db2.gz FALRTHSLGSIHKQ-UHFFFAOYSA-N 0 0 467.501 4.037 50 0 JIAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)CC3)ncn2)n1 ZINC000035597338 569705370 /nfs/dbraw/zinc/70/53/70/569705370.db2.gz DYNHKMQNXFXYMG-UHFFFAOYSA-N 0 0 479.894 4.305 50 0 JIAARN CCOc1cccc2sc(N(CCn3nc(C)cc3C)C(=O)c3ccccc3S(C)(=O)=O)nc21 ZINC000035597627 569705409 /nfs/dbraw/zinc/70/54/09/569705409.db2.gz JVTPYRRUJUXVFR-UHFFFAOYSA-N 0 0 498.630 4.259 50 0 JIAARN CCOC(=O)CCC(=O)N(CCC(=O)Nc1nnc(-c2ccccc2)s1)C1CCCCC1 ZINC000035700976 569707258 /nfs/dbraw/zinc/70/72/58/569707258.db2.gz HHWZZVXOWISNBI-UHFFFAOYSA-N 0 0 458.584 4.038 50 0 JIAARN CCCN1C(=O)N[C@@H](c2ccc(NC(=O)Nc3ccccc3F)cc2)C(C(=O)OCCOC)=C1C ZINC000035711564 569707902 /nfs/dbraw/zinc/70/79/02/569707902.db2.gz ZEKNJJXWHQCFEE-QFIPXVFZSA-N 0 0 484.528 4.410 50 0 JIAARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)NCC)cc2)C(C(=O)OCC)=C1c1ccccc1 ZINC000035711466 569707905 /nfs/dbraw/zinc/70/79/05/569707905.db2.gz VNWLUIKYDMYPLE-OAQYLSRUSA-N 0 0 450.539 4.279 50 0 JIAARN COc1ccc(Cl)cc1-c1nn(CN2CCC(NC(=O)CCc3ccccc3)CC2)c(=S)[nH]1 ZINC000083962558 569708868 /nfs/dbraw/zinc/70/88/68/569708868.db2.gz DJMAWMOIIMFPKK-UHFFFAOYSA-N 0 0 486.041 4.441 50 0 JIAARN CCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000035729375 569708967 /nfs/dbraw/zinc/70/89/67/569708967.db2.gz FNAXAFYDOPQMAD-GOSISDBHSA-N 0 0 466.563 4.180 50 0 JIAARN O=C(Nc1nnc(-c2ccc3c(c2)OCO3)s1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 ZINC000035729455 569709060 /nfs/dbraw/zinc/70/90/60/569709060.db2.gz RZRMDTCDPKOOIW-HNNXBMFYSA-N 0 0 471.926 4.222 50 0 JIAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccc(NC(=O)c2ccccc2Br)c1 ZINC000035729651 569709178 /nfs/dbraw/zinc/70/91/78/569709178.db2.gz ZTNHSSKWRXKXHS-IBGZPJMESA-N 0 0 488.407 4.400 50 0 JIAARN O=C(Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1)c1cnc2ccccn2c1=O ZINC000084528645 569709346 /nfs/dbraw/zinc/70/93/46/569709346.db2.gz UCGUURPUBVPSJO-UHFFFAOYSA-N 0 0 457.921 4.583 50 0 JIAARN CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)Cc2coc3cc(O)ccc23)sc2c1CCCC2 ZINC000084795700 569709691 /nfs/dbraw/zinc/70/96/91/569709691.db2.gz KPCFHBVSJKKYDP-CYBMUJFWSA-N 0 0 471.531 4.368 50 0 JIAARN O=C(COCc1ccccc1)N(CC(=O)N(Cc1ccco1)Cc1ccccc1)C[C@@H]1CCCO1 ZINC000035767293 569709919 /nfs/dbraw/zinc/70/99/19/569709919.db2.gz BZXRHLNYECOJCQ-SANMLTNESA-N 0 0 476.573 4.033 50 0 JIAARN COCCNC(=O)c1ccc(CSc2nnc(-c3ccc(C)cc3)n2[C@@H](C)COC)cc1 ZINC000085397566 569710264 /nfs/dbraw/zinc/71/02/64/569710264.db2.gz ABPWBMQTUFFPNC-SFHVURJKSA-N 0 0 454.596 4.129 50 0 JIAARN COc1cccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccc(Cl)cc5)no4)ccc3c2=O)c1 ZINC000085601873 569711075 /nfs/dbraw/zinc/71/10/75/569711075.db2.gz RCCLMANXUGFTLF-UHFFFAOYSA-N 0 0 460.877 4.117 50 0 JIAARN COc1ccccc1Cn1c(=O)[nH]c2cc(-c3nc(-c4ccccc4Cl)no3)ccc2c1=O ZINC000085601916 569711140 /nfs/dbraw/zinc/71/11/40/569711140.db2.gz CWBHAYSPRJOGAY-UHFFFAOYSA-N 0 0 460.877 4.117 50 0 JIAARN CCOc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(-c3ccc(C)cc3)c4=O)n2)cc1OC ZINC000085601803 569711144 /nfs/dbraw/zinc/71/11/44/569711144.db2.gz BKPDREBNDGUFGZ-UHFFFAOYSA-N 0 0 470.485 4.112 50 0 JIAARN Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3ccc(OC(C)C)cc3)C2)c(C)c1C(=O)OC(C)C ZINC000085621620 569711327 /nfs/dbraw/zinc/71/13/27/569711327.db2.gz DSVOOPJKCCMMLV-NRFANRHFSA-N 0 0 483.609 4.153 50 0 JIAARN CC(C)c1ccc(Cn2c3nn(CCOc4ccccc4)c(=O)n3c3ccsc3c2=O)cc1 ZINC000085641144 569711359 /nfs/dbraw/zinc/71/13/59/569711359.db2.gz KOGLFGNVSNICEP-UHFFFAOYSA-N 0 0 460.559 4.123 50 0 JIAARN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(OC(C)C)cc3)C2)c(C)c1C(=O)OC(C)C ZINC000085621623 569711375 /nfs/dbraw/zinc/71/13/75/569711375.db2.gz DSVOOPJKCCMMLV-OAQYLSRUSA-N 0 0 483.609 4.153 50 0 JIAARN COCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)c1cccs1 ZINC000035808089 569711778 /nfs/dbraw/zinc/71/17/78/569711778.db2.gz QGROJYBRZVZTGK-UHFFFAOYSA-N 0 0 486.615 4.164 50 0 JIAARN O=C1C[C@H](c2ccc(F)c(Br)c2)c2c(=O)[nH]c(SCc3ccccc3)nc2N1 ZINC000086056954 569716947 /nfs/dbraw/zinc/71/69/47/569716947.db2.gz ZHMKMMBRSWGQFO-CYBMUJFWSA-N 0 0 460.328 4.438 50 0 JIAARN COc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000085643767 569711889 /nfs/dbraw/zinc/71/18/89/569711889.db2.gz SBWIZYNIHZYFPM-UHFFFAOYSA-N 0 0 492.022 4.173 50 0 JIAARN CN1C2=C(C(=O)N(Cc3ccc4c(c3)OCO4)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035834792 569713366 /nfs/dbraw/zinc/71/33/66/569713366.db2.gz DWCBHDKVHHXGQU-RUZDIDTESA-N 0 0 469.497 4.200 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)c2cn(CC(=O)Nc3cccc(C)c3C)c3nc(C)ccc3c2=O)c1 ZINC000085668222 569714774 /nfs/dbraw/zinc/71/47/74/569714774.db2.gz QJHINPQRBOPCPZ-UHFFFAOYSA-N 0 0 489.597 4.410 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSC(=S)N2CCSCC2)cc1 ZINC000035862924 569716899 /nfs/dbraw/zinc/71/68/99/569716899.db2.gz GLVKZFSODHMMEG-OAQYLSRUSA-N 0 0 471.673 4.440 50 0 JIAARN COc1ccc(N(Cc2nc3nc(C)c(Cl)c(C)n3n2)C(=O)c2cccc(OC)c2)cc1 ZINC000086066632 569717622 /nfs/dbraw/zinc/71/76/22/569717622.db2.gz SEQDPWMTLXRPPN-UHFFFAOYSA-N 0 0 451.914 4.259 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccccc1Br ZINC000089459685 569718550 /nfs/dbraw/zinc/71/85/50/569718550.db2.gz NAXFLSLTGYFQPG-UHFFFAOYSA-N 0 0 467.385 4.275 50 0 JIAARN O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C(=O)c3ccco3)C[C@H]12 ZINC000035871382 569718573 /nfs/dbraw/zinc/71/85/73/569718573.db2.gz UHRKSLUBDHNYGZ-JTHBVZDNSA-N 0 0 497.517 4.161 50 0 JIAARN COc1ccccc1COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000089473765 569718612 /nfs/dbraw/zinc/71/86/12/569718612.db2.gz OFKICCQQUHJGHF-UHFFFAOYSA-N 0 0 457.935 4.457 50 0 JIAARN O=C(NCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C(=O)c3ccco3)C[C@H]12 ZINC000035871367 569718588 /nfs/dbraw/zinc/71/85/88/569718588.db2.gz JIWHAULPCSQULY-IFMALSPDSA-N 0 0 483.490 4.118 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1C ZINC000089643266 569719437 /nfs/dbraw/zinc/71/94/37/569719437.db2.gz DIBXKFOZCQSZLT-QFIPXVFZSA-N 0 0 477.630 4.304 50 0 JIAARN O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000089825854 569719981 /nfs/dbraw/zinc/71/99/81/569719981.db2.gz UQEFZTMDNAHQCC-QHCPKHFHSA-N 0 0 487.984 4.165 50 0 JIAARN COc1ccc(CCN2Cc3cc(NC(=O)c4ccc(OC)cc4)ccc3O[C@@H](C)C2=O)cc1 ZINC000035884646 569720173 /nfs/dbraw/zinc/72/01/73/569720173.db2.gz ZKTXWPYEKMMBLB-SFHVURJKSA-N 0 0 460.530 4.308 50 0 JIAARN CC(C)N(C(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1 ZINC000089869699 569720191 /nfs/dbraw/zinc/72/01/91/569720191.db2.gz UXIHNOGIZLXYES-UHFFFAOYSA-N 0 0 452.532 4.086 50 0 JIAARN COc1cccc(CC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2OC)C(=O)[C@H](C)O3)c1 ZINC000035885137 569720397 /nfs/dbraw/zinc/72/03/97/569720397.db2.gz WETVOXJSPVGVML-SFHVURJKSA-N 0 0 460.530 4.195 50 0 JIAARN CCCCCn1c(CCC(=O)N[C@H]2CCCc3ccccc32)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000089953503 569720566 /nfs/dbraw/zinc/72/05/66/569720566.db2.gz HBHNBQYWYWBPEA-NRFANRHFSA-N 0 0 479.625 4.003 50 0 JIAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000089942375 569720624 /nfs/dbraw/zinc/72/06/24/569720624.db2.gz OZBNHGXPJFBWIR-ZWKOTPCHSA-N 0 0 464.031 4.187 50 0 JIAARN CC[C@H]1Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035886982 569720652 /nfs/dbraw/zinc/72/06/52/569720652.db2.gz VZCRMJUECGWLLK-JOCHJYFZSA-N 0 0 454.523 4.326 50 0 JIAARN COc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3cccc(Br)c3)CC2)c1 ZINC000035887666 569721048 /nfs/dbraw/zinc/72/10/48/569721048.db2.gz LNYWEHLUFPSABE-UHFFFAOYSA-N 0 0 495.421 4.418 50 0 JIAARN Cc1nc(C)c(Cc2cccc(C(F)(F)F)c2)c(N2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000035887713 569721058 /nfs/dbraw/zinc/72/10/58/569721058.db2.gz AIZWGVXTUOSYIT-UHFFFAOYSA-N 0 0 484.522 4.431 50 0 JIAARN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000095348743 569722427 /nfs/dbraw/zinc/72/24/27/569722427.db2.gz YJQJGKMTTCOVPE-UANIKKFDSA-N 0 0 488.676 4.236 50 0 JIAARN CCOc1ccc(Oc2cc(CNC(=O)c3ccc(N4C[C@@H](C)O[C@H](C)C4)nc3)ccn2)cc1 ZINC000095364860 569722727 /nfs/dbraw/zinc/72/27/27/569722727.db2.gz RFXILFVJNJGMHE-RTBURBONSA-N 0 0 462.550 4.211 50 0 JIAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2C[C@@H](O)COc2cccc(C)c2)CC1=O ZINC000095471844 569723557 /nfs/dbraw/zinc/72/35/57/569723557.db2.gz QJSQPFPRTIJGRH-LEWJYISDSA-N 0 0 471.557 4.314 50 0 JIAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000095479434 569724643 /nfs/dbraw/zinc/72/46/43/569724643.db2.gz XQAJDNZPJDELPV-XNEZKDSMSA-N 0 0 495.623 4.463 50 0 JIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(Cc2cc(F)cc(F)c2)C(=O)CO3)cc1OC ZINC000035909540 569724701 /nfs/dbraw/zinc/72/47/01/569724701.db2.gz YQEHDEWJGANOET-UHFFFAOYSA-N 0 0 468.456 4.156 50 0 JIAARN COc1ccc(CN2CCN(C(=O)c3cccc4c3ccn4C(C)C)CC2)c(OC)c1OC ZINC000095480622 569724814 /nfs/dbraw/zinc/72/48/14/569724814.db2.gz BDKKNAHHYDSTBK-UHFFFAOYSA-N 0 0 451.567 4.206 50 0 JIAARN COc1ccc2c(c1)N1CCN(c3ccccc3OC)C[C@@H]1[C@H](C(=O)NCc1ccc(F)cc1)C2 ZINC000035911074 569726225 /nfs/dbraw/zinc/72/62/25/569726225.db2.gz QZHMLLXFIGMNRD-ZEQKJWHPSA-N 0 0 475.564 4.027 50 0 JIAARN CCNC(=O)N1CCN(c2nc(C3CC3)nc(CC)c2Cc2cccc(C(F)(F)F)c2)CC1 ZINC000095538644 569726293 /nfs/dbraw/zinc/72/62/93/569726293.db2.gz IZAHQSORQBQYKJ-UHFFFAOYSA-N 0 0 461.532 4.378 50 0 JIAARN Cc1ccc2c(c1)c(=O)n(-c1cccc(C)c1C)c(=O)n2CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000095538677 569726345 /nfs/dbraw/zinc/72/63/45/569726345.db2.gz VKPQEGVSNKMOCB-UHFFFAOYSA-N 0 0 495.501 4.413 50 0 JIAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000095540997 569726495 /nfs/dbraw/zinc/72/64/95/569726495.db2.gz RRBGBHCBPUCBNK-UHFFFAOYSA-N 0 0 458.484 4.044 50 0 JIAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000035912748 569727790 /nfs/dbraw/zinc/72/77/90/569727790.db2.gz ZBDUDSQAFMZXBE-UHFFFAOYSA-N 0 0 484.604 4.194 50 0 JIAARN Cc1ccccc1-c1ccc2nc(-c3ccccc3)c(CCC(=O)NCCN3CCOCC3)n2c1 ZINC000095597896 569727994 /nfs/dbraw/zinc/72/79/94/569727994.db2.gz MZEXGGABQBLGSA-UHFFFAOYSA-N 0 0 468.601 4.358 50 0 JIAARN Cc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(C(C)C)cc5)nn4ccn3c2=O)c(C)c1 ZINC000095609158 569728091 /nfs/dbraw/zinc/72/80/91/569728091.db2.gz NBVUKJGMCYSMMA-UHFFFAOYSA-N 0 0 454.534 4.190 50 0 JIAARN CC(C)CC(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925525 569728900 /nfs/dbraw/zinc/72/89/00/569728900.db2.gz NXTGZFKZFXDFNO-UHFFFAOYSA-N 0 0 468.605 4.491 50 0 JIAARN COc1ccc(CC(=O)N2CCCN(c3nc(CC(C)C)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035925618 569728926 /nfs/dbraw/zinc/72/89/26/569728926.db2.gz HYDNLEKHLSCHSX-UHFFFAOYSA-N 0 0 498.631 4.304 50 0 JIAARN CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)NC3CCCCC3)CC2)n1 ZINC000035925634 569728990 /nfs/dbraw/zinc/72/89/90/569728990.db2.gz YVXRHBDOMFVPRU-UHFFFAOYSA-N 0 0 461.614 4.178 50 0 JIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1nc(-c2cccs2)n(C2CC2)c1=O ZINC000095926215 569730340 /nfs/dbraw/zinc/73/03/40/569730340.db2.gz XHRCJNRBHSHXNM-UHFFFAOYSA-N 0 0 469.954 4.155 50 0 JIAARN CC(C)NS(=O)(=O)c1ccc(Nc2nc(C(F)(F)F)nc3c2cnn3Cc2ccccc2)cc1 ZINC000095948759 569731327 /nfs/dbraw/zinc/73/13/27/569731327.db2.gz XFNAKLLUUMFDBC-UHFFFAOYSA-N 0 0 490.511 4.324 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(N(C)C)c(CN(C(=O)c3ccco3)C(C)C)c2)cc1 ZINC000035943846 569731568 /nfs/dbraw/zinc/73/15/68/569731568.db2.gz DXGMPIVXRIFQHS-UHFFFAOYSA-N 0 0 471.579 4.206 50 0 JIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000096113962 569733146 /nfs/dbraw/zinc/73/31/46/569733146.db2.gz YNRRJRCQRJXROH-QPPBQGQZSA-N 0 0 457.438 4.062 50 0 biogenic JIAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2sc(N(C)C)nc2C)cc1 ZINC000096114684 569733566 /nfs/dbraw/zinc/73/35/66/569733566.db2.gz CMGYQOBDKOXIET-WIYYLYMNSA-N 0 0 477.542 4.164 50 0 biogenic JIAARN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@@H](c1cccc3nccnc31)CC(=O)O2 ZINC000096114567 569733659 /nfs/dbraw/zinc/73/36/59/569733659.db2.gz UEQNLYGITNTIGI-MRXNPFEDSA-N 0 0 452.422 4.255 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F)C(=O)C1CCCC1 ZINC000035946700 569733896 /nfs/dbraw/zinc/73/38/96/569733896.db2.gz AIZJTAKOUQAXQD-XMMPIXPASA-N 0 0 469.532 4.308 50 0 JIAARN COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cc(OC)c1OC ZINC000096115044 569734127 /nfs/dbraw/zinc/73/41/27/569734127.db2.gz QTVVIOJUMPIOKO-BWKNWUBXSA-N 0 0 473.481 4.350 50 0 biogenic JIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000096116193 569735110 /nfs/dbraw/zinc/73/51/10/569735110.db2.gz KWUAEWMSWUGNSM-RDGATRHJSA-N 0 0 471.465 4.104 50 0 biogenic JIAARN O=C(COc1ccc2occ(-c3ccco3)c2c1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000096118641 569736164 /nfs/dbraw/zinc/73/61/64/569736164.db2.gz HIRQMIFWQYRXEU-GOSISDBHSA-N 0 0 451.500 4.292 50 0 JIAARN COc1cccc(/C=C\C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1OC(F)F ZINC000096134108 569736345 /nfs/dbraw/zinc/73/63/45/569736345.db2.gz GFJGQZFCTMBAAJ-KWEPMOPPSA-N 0 0 466.912 4.153 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000035960528 569736505 /nfs/dbraw/zinc/73/65/05/569736505.db2.gz SBNJSNZWSQXNCI-JOCHJYFZSA-N 0 0 469.557 4.415 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(Cl)cc1)C(=O)NC(C)C ZINC000035961187 569736823 /nfs/dbraw/zinc/73/68/23/569736823.db2.gz HGUDSCKPASMHBM-JOCHJYFZSA-N 0 0 474.964 4.223 50 0 JIAARN COC(=O)[C@](C)(NC(=O)/C=C\c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccccc1 ZINC000096189986 569737159 /nfs/dbraw/zinc/73/71/59/569737159.db2.gz RQCPWDWZRXFVJM-KKFJTVDOSA-N 0 0 498.988 4.359 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1)C(=O)c1cccc(F)c1 ZINC000035961626 569737223 /nfs/dbraw/zinc/73/72/23/569737223.db2.gz AZYVLDBXOXRICM-RUZDIDTESA-N 0 0 477.511 4.431 50 0 JIAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1Cl ZINC000035963196 569737978 /nfs/dbraw/zinc/73/79/78/569737978.db2.gz BEKJYMHQGYBREL-HSZRJFAPSA-N 0 0 487.000 4.094 50 0 JIAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)N[C@@H](Cc1ccccc1)C(=O)N2C1CC1 ZINC000096210980 569738131 /nfs/dbraw/zinc/73/81/31/569738131.db2.gz OCYWXORNHGSOTB-NRFANRHFSA-N 0 0 472.511 4.235 50 0 JIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O ZINC000096220850 569738438 /nfs/dbraw/zinc/73/84/38/569738438.db2.gz XHJQUBAYFUHNFJ-LJQANCHMSA-N 0 0 464.518 4.199 50 0 biogenic JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](c3cccc(C)c3)N(C(=O)C3CCCC3)C2)C1 ZINC000096280508 569740078 /nfs/dbraw/zinc/74/00/78/569740078.db2.gz CRSVDFXDRDUBPQ-WXFUMESZSA-N 0 0 454.611 4.267 50 0 JIAARN CCOC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(I)cc1N ZINC000096558412 569740920 /nfs/dbraw/zinc/74/09/20/569740920.db2.gz BHWHDRLRORDEHI-GOSISDBHSA-N 0 0 496.345 4.189 50 0 JIAARN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1 ZINC000096564880 569741281 /nfs/dbraw/zinc/74/12/81/569741281.db2.gz NNJVPYZIYZDZOM-UHFFFAOYSA-N 0 0 493.822 4.430 50 0 JIAARN CCCNC(=O)N(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000035980829 569742499 /nfs/dbraw/zinc/74/24/99/569742499.db2.gz VVIKWIJUCXVOEO-UHFFFAOYSA-N 0 0 452.555 4.456 50 0 JIAARN Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nc(C)n2)cc1 ZINC000096646355 569742759 /nfs/dbraw/zinc/74/27/59/569742759.db2.gz SRSUALCCCXQQPQ-UHFFFAOYSA-N 0 0 457.987 4.001 50 0 JIAARN Cc1ccccc1C(=O)N1[C@H](C(=O)N[C@@H](C)c2ccccc2)COC12CCN(C(=O)CC(C)C)CC2 ZINC000035987389 569743302 /nfs/dbraw/zinc/74/33/02/569743302.db2.gz OJGGUVRGCQHLAR-DHLKQENFSA-N 0 0 491.632 4.078 50 0 JIAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000096905385 569743552 /nfs/dbraw/zinc/74/35/52/569743552.db2.gz AOJBSQBPBYUZHD-UHFFFAOYSA-N 0 0 489.567 4.238 50 0 JIAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000096905388 569743572 /nfs/dbraw/zinc/74/35/72/569743572.db2.gz GGFNWONEDKYATN-QGZVFWFLSA-N 0 0 489.567 4.238 50 0 JIAARN Cc1cccc(-c2ncc(C(=O)NCc3ccccn3)c(N3CCN(c4ccccc4F)CC3)n2)c1 ZINC000035988771 569743665 /nfs/dbraw/zinc/74/36/65/569743665.db2.gz WXLDNXRTKQGOSP-UHFFFAOYSA-N 0 0 482.563 4.243 50 0 JIAARN CCc1nn(-c2ccc(OC)cc2)c2sc(C(=O)NCCCNC(=O)c3cccc(OC)c3)cc12 ZINC000035989104 569743818 /nfs/dbraw/zinc/74/38/18/569743818.db2.gz QQARRJOAAFEPCM-UHFFFAOYSA-N 0 0 492.601 4.217 50 0 JIAARN Cc1c(Cl)cccc1N1C[C@@H](C)Cn2c3c(nc21)n(C)c(=O)n(C/C=C\c1ccccc1)c3=O ZINC000097568700 569745533 /nfs/dbraw/zinc/74/55/33/569745533.db2.gz MGRAQPWANVTPOS-SDMNGIDPSA-N 0 0 475.980 4.360 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)CN(CCc2ccccn2)C(=O)c2ccc(Cl)cc2)c(C)n1C ZINC000036000236 569745574 /nfs/dbraw/zinc/74/55/74/569745574.db2.gz WNYLGGVXBDUDNM-UHFFFAOYSA-N 0 0 481.980 4.435 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)C(C)C)ccc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036001080 569745758 /nfs/dbraw/zinc/74/57/58/569745758.db2.gz ULZHCCBQGDZUTR-UHFFFAOYSA-N 0 0 464.610 4.034 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)c(C)n1C ZINC000036001013 569745796 /nfs/dbraw/zinc/74/57/96/569745796.db2.gz VEHQBXXIOAWAPL-UHFFFAOYSA-N 0 0 478.586 4.164 50 0 JIAARN CCc1nc2c(cnn2-c2ccc(C)cc2)c(N2CCCN(C(=O)c3ccc(OC)cc3)CC2)n1 ZINC000036001949 569746027 /nfs/dbraw/zinc/74/60/27/569746027.db2.gz MUDGAWZNRCAXLX-UHFFFAOYSA-N 0 0 470.577 4.047 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CCc2ccccn2)C(=O)c2ccc(F)cc2)c1C ZINC000036004277 569746880 /nfs/dbraw/zinc/74/68/80/569746880.db2.gz MSHFFQCBFFVSAN-SFHVURJKSA-N 0 0 465.525 4.299 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000036005844 569747343 /nfs/dbraw/zinc/74/73/43/569747343.db2.gz VBFFGDZCAYKFBD-UHFFFAOYSA-N 0 0 494.611 4.399 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)c2ccco2)c(C)n1C ZINC000036006535 569747534 /nfs/dbraw/zinc/74/75/34/569747534.db2.gz AZRMALWWWBBBON-QGZVFWFLSA-N 0 0 454.498 4.465 50 0 JIAARN COc1ccccc1OCCC(=O)NCCN1C(=O)S/C(=C/c2ccc(SC)cc2)C1=O ZINC000097986179 569748518 /nfs/dbraw/zinc/74/85/18/569748518.db2.gz QINODYDLUAVNGV-HMMYKYKNSA-N 0 0 472.588 4.039 50 0 JIAARN CCOc1cc(/C=C2/N=C(c3ccc(OC(C)C)cc3)OC2=O)cc(Cl)c1OCC(=O)N(C)C ZINC000097987579 569748549 /nfs/dbraw/zinc/74/85/49/569748549.db2.gz CQQQBGNMHLKKNC-UDWIEESQSA-N 0 0 486.952 4.337 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)nc(NCCNS(=O)(=O)c3ccc(Cl)cc3)c12 ZINC000036016719 569749380 /nfs/dbraw/zinc/74/93/80/569749380.db2.gz WAXCWLQEHFDMGN-UHFFFAOYSA-N 0 0 482.997 4.045 50 0 JIAARN CCn1c(C)c(C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(Cl)cc2)c(C)c1C(=O)OC ZINC000036018753 569749636 /nfs/dbraw/zinc/74/96/36/569749636.db2.gz NSKZDSZOSRNRDV-LJQANCHMSA-N 0 0 460.958 4.069 50 0 JIAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C4CCC4)cc3C(=O)N3CCCCC3)CC2)cc1 ZINC000036019355 569749844 /nfs/dbraw/zinc/74/98/44/569749844.db2.gz OITQMCDNJIBPEV-UHFFFAOYSA-N 0 0 488.632 4.322 50 0 JIAARN O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCCCC2)c1)c1ccc(Cl)cc1 ZINC000036019374 569749876 /nfs/dbraw/zinc/74/98/76/569749876.db2.gz RRIZDBOJVSSSNR-UHFFFAOYSA-N 0 0 495.023 4.277 50 0 JIAARN CCn1c(C)c(C(=O)[C@@H](C)N(CCC(C)C)S(=O)(=O)c2ccc(F)cc2)c(C)c1C(=O)OC ZINC000036025818 569750729 /nfs/dbraw/zinc/75/07/29/569750729.db2.gz QFZFUNUWSJTEKL-GOSISDBHSA-N 0 0 480.602 4.359 50 0 JIAARN C[C@H]1NC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000036026158 569750837 /nfs/dbraw/zinc/75/08/37/569750837.db2.gz ZYDNFAGZCASIOR-OAHLLOKOSA-N 0 0 465.903 4.312 50 0 JIAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1CC(C)C)C(=O)NC(C)(C)C ZINC000036031414 569751903 /nfs/dbraw/zinc/75/19/03/569751903.db2.gz BXZPHRKYXZBVMO-UHFFFAOYSA-N 0 0 499.077 4.123 50 0 JIAARN CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1CC(C)C)C(C)C ZINC000036032031 569752092 /nfs/dbraw/zinc/75/20/92/569752092.db2.gz YHNDVSWWLPGJDS-UHFFFAOYSA-N 0 0 471.092 4.271 50 0 JIAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1CC(C)C)C(=O)c1ccc(C)cc1 ZINC000036039607 569752599 /nfs/dbraw/zinc/75/25/99/569752599.db2.gz GZGQHNQFUPUTRJ-UHFFFAOYSA-N 0 0 497.661 4.419 50 0 JIAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1CC(C)C)C(=O)c1ccccc1C ZINC000036039612 569752627 /nfs/dbraw/zinc/75/26/27/569752627.db2.gz QCGUNOMZLNTDNT-UHFFFAOYSA-N 0 0 497.661 4.419 50 0 JIAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(CC(C)C)C(=O)NC(C)C)n1CC(C)C ZINC000036040493 569753135 /nfs/dbraw/zinc/75/31/35/569753135.db2.gz OWWUQJFFBYKLPO-UHFFFAOYSA-N 0 0 462.660 4.397 50 0 JIAARN CCCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CNC(=S)Nc1cccc(C)c1 ZINC000036041096 569753662 /nfs/dbraw/zinc/75/36/62/569753662.db2.gz AYUDOXNQLVOEEC-FQEVSTJZSA-N 0 0 456.612 4.018 50 0 JIAARN COc1cc([C@H]2CN(C(=O)c3ccccc3)C[C@@H]2C(=O)NCc2ccc(F)cc2)cc(OC)c1OC ZINC000036044260 569754984 /nfs/dbraw/zinc/75/49/84/569754984.db2.gz LKWUGTUIEWTJPH-PKTZIBPZSA-N 0 0 492.547 4.024 50 0 JIAARN COc1cc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCCC(C)C)cc(OC)c1OC ZINC000036044395 569754987 /nfs/dbraw/zinc/75/49/87/569754987.db2.gz SGNBWIQZBKECLK-LEWJYISDSA-N 0 0 489.012 4.384 50 0 JIAARN Cc1ccc([C@@H]2CN(C(=O)NC(C)(C)C)C[C@@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC000036044614 569755178 /nfs/dbraw/zinc/75/51/78/569755178.db2.gz WYRANAHBMULRPV-ZEQRLZLVSA-N 0 0 462.638 4.176 50 0 JIAARN COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1)N(C(=O)Nc1cccc(F)c1)CC2 ZINC000036048405 569755987 /nfs/dbraw/zinc/75/59/87/569755987.db2.gz LGUUUNGSPLTBSJ-QFIPXVFZSA-N 0 0 463.509 4.404 50 0 JIAARN C[C@@H]1CCCCN1C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036250187 569758065 /nfs/dbraw/zinc/75/80/65/569758065.db2.gz LNLVNOGMUSUONS-XMSQKQJNSA-N 0 0 465.560 4.423 50 0 JIAARN COc1ccc(C(=O)N2CCN([C@H](C(=O)N[C@H]3CCCc4ccccc43)C3CCCC3)CC2)cc1 ZINC000036252392 569758494 /nfs/dbraw/zinc/75/84/94/569758494.db2.gz MLKVHHZXIRZLGD-SVBPBHIXSA-N 0 0 475.633 4.206 50 0 JIAARN O=C(NCc1ccc(F)cc1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036253250 569758593 /nfs/dbraw/zinc/75/85/93/569758593.db2.gz GZFSKEQCLZHRGN-HSZRJFAPSA-N 0 0 457.977 4.112 50 0 JIAARN Cc1cc(C)cc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CC=C[C@H](C)[C@@H]5C4=O)c(C)c3)CC2=O)c1 ZINC000100399114 569759104 /nfs/dbraw/zinc/75/91/04/569759104.db2.gz ASEBZKKFJKZQKM-YESOXSADSA-N 0 0 486.568 4.272 50 0 JIAARN COc1ccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000036311549 569759464 /nfs/dbraw/zinc/75/94/64/569759464.db2.gz PTZRERMIYCUEFF-HSZRJFAPSA-N 0 0 455.986 4.304 50 0 JIAARN COc1ccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1OC ZINC000036311838 569759753 /nfs/dbraw/zinc/75/97/53/569759753.db2.gz SVGWSGIIAGXYTM-XMMPIXPASA-N 0 0 486.012 4.313 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@H](c3ccccc3OC)C2)c1 ZINC000036341445 569764576 /nfs/dbraw/zinc/76/45/76/569764576.db2.gz VSSRZSFBBAWTGP-NDEPHWFRSA-N 0 0 498.627 4.199 50 0 JIAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036341799 569764919 /nfs/dbraw/zinc/76/49/19/569764919.db2.gz BZPPMNVTJLVZBT-QFIPXVFZSA-N 0 0 497.979 4.022 50 0 JIAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(C)cc1 ZINC000036342226 569765548 /nfs/dbraw/zinc/76/55/48/569765548.db2.gz JVUSJUUZTUJPOE-DQEYMECFSA-N 0 0 493.604 4.108 50 0 JIAARN CCOc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN2CCCCC2)cc1 ZINC000036344045 569766728 /nfs/dbraw/zinc/76/67/28/569766728.db2.gz HPADYEAMRDEYGX-XMMPIXPASA-N 0 0 451.567 4.266 50 0 JIAARN COc1ccccc1C1=NN(C(=O)CN2CCN(Cc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000036344313 569766920 /nfs/dbraw/zinc/76/69/20/569766920.db2.gz VWGKVMZFINSQAS-MHZLTWQESA-N 0 0 468.601 4.191 50 0 JIAARN Cc1ccccc1N1Oc2c(O)n(-c3ccc(Br)cc3)c(O)c2[C@@H]1c1ccco1 ZINC000100723766 569767997 /nfs/dbraw/zinc/76/79/97/569767997.db2.gz WNFAMPZKOSCDDN-UFYCRDLUSA-N 0 0 453.292 4.402 50 0 JIAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc(C)cc2C)CC1 ZINC000036345735 569768224 /nfs/dbraw/zinc/76/82/24/569768224.db2.gz WDINSUZLZMBDNJ-VWLOTQADSA-N 0 0 465.569 4.395 50 0 JIAARN COc1cc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000100779183 569769821 /nfs/dbraw/zinc/76/98/21/569769821.db2.gz XFSGDPXVJJWBJB-UHFFFAOYSA-N 0 0 475.453 4.467 50 0 biogenic JIAARN COc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nc(CCCO)nn32)c(OC)c1 ZINC000100806518 569770500 /nfs/dbraw/zinc/77/05/00/569770500.db2.gz PSEUJIAEAQSKEJ-LJQANCHMSA-N 0 0 471.355 4.039 50 0 JIAARN Cn1c2ccc(Cl)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000100816138 569770710 /nfs/dbraw/zinc/77/07/10/569770710.db2.gz KEUHSCUCHOWHKP-LCUIJRPUSA-N 0 0 498.029 4.381 50 0 JIAARN CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000100820338 569770927 /nfs/dbraw/zinc/77/09/27/569770927.db2.gz HMJJKVUDFJZZAE-VHXPQNKSSA-N 0 0 473.620 4.037 50 0 JIAARN CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N(C)c3ccccc3)cc1)n2C ZINC000100821091 569771253 /nfs/dbraw/zinc/77/12/53/569771253.db2.gz ARMRFRGYQHLNNR-IZHYLOQSSA-N 0 0 481.599 4.205 50 0 JIAARN Cc1ccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)n(C)c2c1C ZINC000100821317 569771290 /nfs/dbraw/zinc/77/12/90/569771290.db2.gz MDCXKDQUARPGHL-WCWDXBQESA-N 0 0 457.621 4.162 50 0 JIAARN Cn1c2ccc(Br)cc2sc1=NC(=O)CSCC(=O)N1CCCc2ccccc21 ZINC000100825419 569771790 /nfs/dbraw/zinc/77/17/90/569771790.db2.gz PBCTZYCNVGJQFR-LNVKXUELSA-N 0 0 490.448 4.142 50 0 JIAARN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(I)cc4)c3)C(=O)[C@@H]2C1 ZINC000100826574 569771818 /nfs/dbraw/zinc/77/18/18/569771818.db2.gz YDJPQFWEOMCSRK-RBUKOAKNSA-N 0 0 486.309 4.389 50 0 JIAARN CCCCc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccc(OC)cc2)s1 ZINC000036357975 569772122 /nfs/dbraw/zinc/77/21/22/569772122.db2.gz CLQKYXRVSLMOIY-RTWAWAEBSA-N 0 0 450.564 4.439 50 0 JIAARN CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000036358543 569772196 /nfs/dbraw/zinc/77/21/96/569772196.db2.gz BTMYKHFIZFLIIG-JOCHJYFZSA-N 0 0 454.958 4.364 50 0 JIAARN CN1C=C(C(=O)N2CCCC2)C(=O)C1c1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1C ZINC000036359809 569772380 /nfs/dbraw/zinc/77/23/80/569772380.db2.gz CNWLAFADTOFBDQ-UHFFFAOYSA-N 0 0 477.952 4.426 50 0 JIAARN COCCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1cc2ccccc2cc1OC ZINC000100872451 569773065 /nfs/dbraw/zinc/77/30/65/569773065.db2.gz IZXINATUPXENHA-IZHYLOQSSA-N 0 0 450.516 4.039 50 0 JIAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)Nc4ccc5c(c4)OCCCO5)c12)OC(C)(C)CC3 ZINC000036370011 569773223 /nfs/dbraw/zinc/77/32/23/569773223.db2.gz OCTULQVYSRXFMD-UHFFFAOYSA-N 0 0 465.502 4.384 50 0 biogenic JIAARN CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(C/C=C/c4ccccc4)CC3)c2c1 ZINC000036369959 569773230 /nfs/dbraw/zinc/77/32/30/569773230.db2.gz HKSFQRSIIMGMLD-QLUGYHCRSA-N 0 0 460.578 4.219 50 0 biogenic JIAARN CCOCCn1c2ccc(C(=O)OCC)cc2s/c1=N\C(=O)c1ccc(Br)cc1 ZINC000100873294 569773255 /nfs/dbraw/zinc/77/32/55/569773255.db2.gz QOYQXJYGHCMROF-LNVKXUELSA-N 0 0 477.380 4.420 50 0 JIAARN COc1ccccc1N1CCN([C@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000036370312 569773335 /nfs/dbraw/zinc/77/33/35/569773335.db2.gz GZNGDMJKPPWYSD-CPJSRVTESA-N 0 0 485.675 4.295 50 0 JIAARN CCOCCn1c2ccc(OCC)cc2s/c1=N\C(=O)c1ccccc1I ZINC000100873744 569773463 /nfs/dbraw/zinc/77/34/63/569773463.db2.gz VNHUBAIKOBRLLF-XDOYNYLZSA-N 0 0 496.370 4.484 50 0 JIAARN COC(=O)c1sccc1S(=O)(=O)N(C)[C@@H](C)c1ccc(-n2cnc3ccccc32)cc1 ZINC000036391684 569774476 /nfs/dbraw/zinc/77/44/76/569774476.db2.gz JESMPDVNBAAQCU-HNNXBMFYSA-N 0 0 455.561 4.255 50 0 JIAARN COc1ccc2[nH]cc(CCNC(=O)c3ccc(N4C(=O)[C@H]5Cc6ccccc6CN5C4=O)cc3)c2c1 ZINC000036569322 569776528 /nfs/dbraw/zinc/77/65/28/569776528.db2.gz WAYRATFXCSEZFL-AREMUKBSSA-N 0 0 494.551 4.043 50 0 JIAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000036576653 569776828 /nfs/dbraw/zinc/77/68/28/569776828.db2.gz HWWWGWBRSHKHCZ-CTNGQTDRSA-N 0 0 473.360 4.158 50 0 JIAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1Cl ZINC000036576656 569776851 /nfs/dbraw/zinc/77/68/51/569776851.db2.gz HWWWGWBRSHKHCZ-TZIWHRDSSA-N 0 0 473.360 4.158 50 0 JIAARN O=c1[nH]c2c(s1)C1(CCCCC1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]1S2 ZINC000100972405 569778069 /nfs/dbraw/zinc/77/80/69/569778069.db2.gz ZEKDHHIEDOPPFU-OLZOCXBDSA-N 0 0 465.394 4.065 50 0 JIAARN COc1ccc(C)cc1NC(=O)Cn1nc(-c2ccco2)c2sc(N3CCCCC3)nc2c1=O ZINC000036685857 569780067 /nfs/dbraw/zinc/78/00/67/569780067.db2.gz JSXFXIUXNBJNNJ-UHFFFAOYSA-N 0 0 479.562 4.059 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)n3)cc2)c(C)c1C ZINC000036705811 569780213 /nfs/dbraw/zinc/78/02/13/569780213.db2.gz OFNQVEDGSBXZAQ-UHFFFAOYSA-N 0 0 464.551 4.141 50 0 JIAARN CC[C@H](NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccc(Br)cc1 ZINC000036758699 569780676 /nfs/dbraw/zinc/78/06/76/569780676.db2.gz SMHWWVLHDQNFLY-AOSWFRPUSA-N 0 0 464.404 4.153 50 0 JIAARN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)n1c2ccccc2c(=O)n(-c2cccc(C(C)=O)c2)c1=O ZINC000037263744 569781980 /nfs/dbraw/zinc/78/19/80/569781980.db2.gz AXTRAHIRVKPJSL-UUOWRZLLSA-N 0 0 469.541 4.184 50 0 JIAARN COc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000037277128 569782300 /nfs/dbraw/zinc/78/23/00/569782300.db2.gz OMECXOSBSHCVPR-UHFFFAOYSA-N 0 0 469.585 4.293 50 0 JIAARN COc1cc(C)ccc1Oc1cc(N2CCN(C(=O)Cc3ccc(F)cc3)[C@H](C)C2)ncn1 ZINC000037356161 569783344 /nfs/dbraw/zinc/78/33/44/569783344.db2.gz IYSLPZFJEORPBO-GOSISDBHSA-N 0 0 450.514 4.005 50 0 JIAARN COc1ccccc1-c1nc(NCCc2ccccn2)nc2nn(Cc3ccccc3)c(N)c21 ZINC000037359335 569783914 /nfs/dbraw/zinc/78/39/14/569783914.db2.gz OXKOTCRSXLDFER-UHFFFAOYSA-N 0 0 451.534 4.182 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)c3cccs3)CC2)n1 ZINC000037378888 569784587 /nfs/dbraw/zinc/78/45/87/569784587.db2.gz QROUBEHSPMQYKM-UHFFFAOYSA-N 0 0 464.570 4.239 50 0 JIAARN CC(C)n1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)NCc1ccccc1 ZINC000101160846 569785095 /nfs/dbraw/zinc/78/50/95/569785095.db2.gz PRPKBOXYUSMUAK-UHFFFAOYSA-N 0 0 452.580 4.020 50 0 JIAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCCC4)N32)c(OC)c1 ZINC000101161639 569785199 /nfs/dbraw/zinc/78/51/99/569785199.db2.gz AVJCTIAJJZSAGJ-HSZRJFAPSA-N 0 0 485.606 4.243 50 0 JIAARN CCN1CCN(C(=O)CCN(Cc2ccco2)c2nc(-c3ccco3)nc3ccccc32)CC1 ZINC000037383352 569785345 /nfs/dbraw/zinc/78/53/45/569785345.db2.gz GGUUZUNASBVBFR-UHFFFAOYSA-N 0 0 459.550 4.044 50 0 JIAARN COc1ccc(NC(=O)Cn2c3cc(Cl)ccc3c(=O)n(-c3cccc(Cl)c3)c2=O)cc1 ZINC000037399978 569787999 /nfs/dbraw/zinc/78/79/99/569787999.db2.gz CBKQNYDSBYKTBC-UHFFFAOYSA-N 0 0 470.312 4.107 50 0 JIAARN COc1ccc(S(=O)(=O)Oc2cc(CN(Cc3ccco3)C(=O)NC(C)C)ccc2OC)cc1 ZINC000037400800 569788208 /nfs/dbraw/zinc/78/82/08/569788208.db2.gz DEFNTGZKKQXRCP-UHFFFAOYSA-N 0 0 488.562 4.185 50 0 JIAARN COc1ccc(CN(Cc2ccco2)C(=O)NC(C)C)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000037400761 569788223 /nfs/dbraw/zinc/78/82/23/569788223.db2.gz CEFYVPNNBUHXDE-UHFFFAOYSA-N 0 0 476.526 4.315 50 0 JIAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(Cc2ccco2)C(=O)NC(C)C)cc1 ZINC000037403385 569788496 /nfs/dbraw/zinc/78/84/96/569788496.db2.gz JEQPFZNHARBEQW-UHFFFAOYSA-N 0 0 458.536 4.176 50 0 JIAARN COc1ccc(CNC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)cc1 ZINC000101282207 569789097 /nfs/dbraw/zinc/78/90/97/569789097.db2.gz YBIGDJMCPNJLEG-UHFFFAOYSA-N 0 0 458.905 4.411 50 0 JIAARN CC[C@H](C)NC(=O)CN(Cc1ccccc1)C(=O)c1csc(Nc2cccc(OC)c2)n1 ZINC000037426359 569789103 /nfs/dbraw/zinc/78/91/03/569789103.db2.gz PCPDXYMPVUADJZ-KRWDZBQOSA-N 0 0 452.580 4.452 50 0 JIAARN COc1ccccc1Nc1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccco2)cs1 ZINC000037435745 569790007 /nfs/dbraw/zinc/79/00/07/569790007.db2.gz HKQJEJLPXCLCBT-HXUWFJFHSA-N 0 0 476.558 4.146 50 0 JIAARN Cc1s/c(=N\C(=O)c2ccccc2F)n(Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1C ZINC000037436705 569790161 /nfs/dbraw/zinc/79/01/61/569790161.db2.gz PZJDUDHHXPFRNN-QSPIDWHTSA-N 0 0 467.566 4.004 50 0 JIAARN CCOc1cnn(-c2ccc(Cl)cc2)c(=O)c1Nc1ccc(C(=O)NCCc2ccccn2)cc1 ZINC000037476431 569791265 /nfs/dbraw/zinc/79/12/65/569791265.db2.gz FOCHEKSKRCTDQH-UHFFFAOYSA-N 0 0 489.963 4.396 50 0 JIAARN CC[C@H](C)NC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4cccc(F)c4)cc32)o1 ZINC000037511046 569791474 /nfs/dbraw/zinc/79/14/74/569791474.db2.gz BGPFYBOMIQAZGD-INIZCTEOSA-N 0 0 480.492 4.134 50 0 JIAARN O=C(COc1ccccc1Cl)c1ccc2c(c1)N(Cc1ccc(C(=O)NCC3CC3)o1)C(=O)CO2 ZINC000037511265 569791509 /nfs/dbraw/zinc/79/15/09/569791509.db2.gz YSJKPEKCEBMYRH-UHFFFAOYSA-N 0 0 494.931 4.260 50 0 JIAARN CCc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NCC4CC4)o2)C(=O)CO3)c1 ZINC000037511276 569791530 /nfs/dbraw/zinc/79/15/30/569791530.db2.gz CGNZOPGIAMAWDT-UHFFFAOYSA-N 0 0 488.540 4.169 50 0 JIAARN CC(C)c1ccccc1OCC(=O)c1ccc2c(c1)N(CC(=O)N(C)Cc1ccccc1)C(=O)CO2 ZINC000037519799 569792752 /nfs/dbraw/zinc/79/27/52/569792752.db2.gz MMBXXACGNMKVDJ-UHFFFAOYSA-N 0 0 486.568 4.456 50 0 JIAARN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101343453 569793596 /nfs/dbraw/zinc/79/35/96/569793596.db2.gz UGKUDNJFAPISPO-FLFXDLLNSA-N 0 0 470.356 4.041 50 0 JIAARN CC(=O)c1ccc(-n2c(O)c3c(-c4ccc(Br)cc4)nn(-c4ccccc4)c3c2O)cc1 ZINC000101343619 569793637 /nfs/dbraw/zinc/79/36/37/569793637.db2.gz OXROJVIRBXWLAP-FYYLOGMGSA-N 0 0 488.341 4.434 50 0 JIAARN O=C(C1=C2C(O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000101343153 569793646 /nfs/dbraw/zinc/79/36/46/569793646.db2.gz NKIHNNUESUQASV-AFXVXQJMSA-N 0 0 473.891 4.241 50 0 JIAARN COc1cccc(-c2nnc3c4ccccc4nc(N4CCCN(C(=O)c5ccccc5F)CC4)n23)c1 ZINC000037554438 569794625 /nfs/dbraw/zinc/79/46/25/569794625.db2.gz AECMDVCUTHSLMP-UHFFFAOYSA-N 0 0 496.546 4.445 50 0 JIAARN O=C(c1cccs1)N1CCCN(c2nc3ccccc3c3nnc(-c4ccccc4F)n32)CC1 ZINC000037554773 569794764 /nfs/dbraw/zinc/79/47/64/569794764.db2.gz PSCKSRXEBUSQRX-UHFFFAOYSA-N 0 0 472.549 4.498 50 0 JIAARN COc1ccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)c5ccc(C)cc5)CC4)n23)cc1 ZINC000037554815 569794969 /nfs/dbraw/zinc/79/49/69/569794969.db2.gz NNGGQSARSQCJGM-UHFFFAOYSA-N 0 0 478.556 4.224 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(N(Cc3ccccc3)C(=O)c3ccco3)cc2)C1 ZINC000037558222 569795431 /nfs/dbraw/zinc/79/54/31/569795431.db2.gz VIJDSTSDDKBPAS-HSZRJFAPSA-N 0 0 474.557 4.471 50 0 JIAARN CSCC[C@@H](C(=O)Nc1nc(-c2cc(F)ccc2F)cs1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000101404841 569796806 /nfs/dbraw/zinc/79/68/06/569796806.db2.gz WZLCMOSKHVKILI-IYOUNJFTSA-N 0 0 479.574 4.324 50 0 JIAARN CCC(=O)N1CCc2ccc(O[C@H](CC)C(=O)N3CCSCC3)cc2[C@@H]1c1cccc(F)c1 ZINC000037603202 569797820 /nfs/dbraw/zinc/79/78/20/569797820.db2.gz WLXZTZRNSSODDO-NOZRDPDXSA-N 0 0 470.610 4.443 50 0 JIAARN O=C(NC1CC1)c1coc(COc2ccc3c(c2)[C@H](c2ccccc2)N(C(=O)C2CC2)CC3)n1 ZINC000037604374 569798455 /nfs/dbraw/zinc/79/84/55/569798455.db2.gz XBRIMOAUFGCWPZ-VWLOTQADSA-N 0 0 457.530 4.030 50 0 JIAARN COc1ccc(CCn2cnc3c(c(C)c(C)n3-c3ccc(Br)cn3)c2=N)cc1OC ZINC000101481562 569799224 /nfs/dbraw/zinc/79/92/24/569799224.db2.gz LBAOTHMUHGRVSX-UHFFFAOYSA-N 0 0 482.382 4.341 50 0 JIAARN CC(=O)c1cccc(NC(=O)CSc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)c1 ZINC000038486860 569801532 /nfs/dbraw/zinc/80/15/32/569801532.db2.gz MSGDJSHROGOYOU-UHFFFAOYSA-N 0 0 460.494 4.117 50 0 JIAARN CC(C)[C@H]1c2cc(S(=O)(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)ccc2NC1=O ZINC000101613553 569801731 /nfs/dbraw/zinc/80/17/31/569801731.db2.gz SKUJGSZCCJVVGK-SANMLTNESA-N 0 0 489.641 4.474 50 0 JIAARN Fc1cccc(Cl)c1[C@@H]1CC(c2ccc(I)cc2)=Nc2nnnn21 ZINC000101641576 569802336 /nfs/dbraw/zinc/80/23/36/569802336.db2.gz LXVRAEPOEHEUFV-AWEZNQCLSA-N 0 0 453.646 4.126 50 0 JIAARN COc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCN(C)CC2)cc1OC ZINC000038546433 569803105 /nfs/dbraw/zinc/80/31/05/569803105.db2.gz BSHRRHGJOCIPLU-QFIPXVFZSA-N 0 0 455.580 4.256 50 0 JIAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)N2C(CC(=O)N3CCOCC3)=CSC2=N1 ZINC000101713927 569803311 /nfs/dbraw/zinc/80/33/11/569803311.db2.gz LHJAOYHBEYJNGK-NRFANRHFSA-N 0 0 475.998 4.115 50 0 JIAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(OC(F)F)cc3)[C@H]2C(=O)N1Cc1ccccc1 ZINC000101727191 569803455 /nfs/dbraw/zinc/80/34/55/569803455.db2.gz WJIBTSVQFRQWPY-YPAWHYETSA-N 0 0 450.441 4.335 50 0 JIAARN Cc1ccc(CNC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nc4ccccc4n3c2=O)cc1 ZINC000038651634 569805511 /nfs/dbraw/zinc/80/55/11/569805511.db2.gz OTWAYLSSELHHEG-UHFFFAOYSA-N 0 0 467.529 4.078 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4Br)no3)CC2)cc1 ZINC000038651917 569805596 /nfs/dbraw/zinc/80/55/96/569805596.db2.gz GTXKEEZCFIIESC-UHFFFAOYSA-N 0 0 478.368 4.076 50 0 JIAARN CCc1ccc(NC(=O)CCc2c(C)nc3[nH]c(NCc4ccc(Cl)cc4)nn3c2=O)cc1 ZINC000101834651 569805669 /nfs/dbraw/zinc/80/56/69/569805669.db2.gz DWBCBLOVPWHSGI-UHFFFAOYSA-N 0 0 464.957 4.125 50 0 JIAARN CC(C)n1c(=O)c2sc(N3CCC(C)CC3)nc2nc1SCC(=O)Nc1ccccc1 ZINC000038654810 569805905 /nfs/dbraw/zinc/80/59/05/569805905.db2.gz 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50 0 JIAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1Cl ZINC000001158135 194053588 /nfs/dbraw/zinc/05/35/88/194053588.db2.gz GCJUROHCUAUBDH-UHFFFAOYSA-N 0 0 471.804 4.450 50 0 JIAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)c(OC)c1 ZINC000001162618 194055693 /nfs/dbraw/zinc/05/56/93/194055693.db2.gz YWLYLPFJYZISKY-GOSISDBHSA-N 0 0 452.363 4.442 50 0 JIAARN O=C(Nc1ccc(I)cc1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000001162806 194055907 /nfs/dbraw/zinc/05/59/07/194055907.db2.gz ZXXOVEJIEQLEQF-UHFFFAOYSA-N 0 0 468.722 4.436 50 0 JIAARN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccccc1I ZINC000001206490 194069975 /nfs/dbraw/zinc/06/99/75/194069975.db2.gz JBMIZODXMIWFAZ-UHFFFAOYSA-N 0 0 458.234 4.417 50 0 JIAARN COc1ccccc1CNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000001172181 194060680 /nfs/dbraw/zinc/06/06/80/194060680.db2.gz CYPOEXNWYUOFSV-UHFFFAOYSA-N 0 0 478.492 4.226 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000001172558 194060922 /nfs/dbraw/zinc/06/09/22/194060922.db2.gz NKFRSLQENZMQCY-INIZCTEOSA-N 0 0 490.931 4.158 50 0 JIAARN COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000001174605 194061747 /nfs/dbraw/zinc/06/17/47/194061747.db2.gz NEYNEKPLNQQWDU-UHFFFAOYSA-N 0 0 488.949 4.220 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)cc1 ZINC000001179122 194062716 /nfs/dbraw/zinc/06/27/16/194062716.db2.gz AOLFKCGJGLHRKV-UHFFFAOYSA-N 0 0 466.559 4.260 50 0 JIAARN COc1cc(C(=O)N[C@H](NC(=S)Nc2ccccc2)C(Cl)(Cl)Cl)cc(OC)c1OC ZINC000001187767 194064943 /nfs/dbraw/zinc/06/49/43/194064943.db2.gz WKEJVIMYICDTEO-QGZVFWFLSA-N 0 0 492.812 4.125 50 0 JIAARN COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(Br)cc4)cc3C2=O)cc1 ZINC000001188150 194065182 /nfs/dbraw/zinc/06/51/82/194065182.db2.gz PIYOOQHFGNUTKW-UHFFFAOYSA-N 0 0 479.286 4.289 50 0 JIAARN CC(=O)c1ccc(NC(=S)N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000001187870 194065252 /nfs/dbraw/zinc/06/52/52/194065252.db2.gz XDJFIKWBKYTBRW-KRWDZBQOSA-N 0 0 458.798 4.231 50 0 JIAARN CCOc1ccc2cc([C@@H]3CC(c4ccc(OC)cc4)=NN3S(C)(=O)=O)c(Cl)nc2c1 ZINC000001245625 194079285 /nfs/dbraw/zinc/07/92/85/194079285.db2.gz SLCDLUHPWGQLMK-NRFANRHFSA-N 0 0 459.955 4.406 50 0 JIAARN Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccc(Cl)cc1Cl ZINC000001252762 194080152 /nfs/dbraw/zinc/08/01/52/194080152.db2.gz NEZNIJAPFHJFTB-UHFFFAOYSA-N 0 0 462.406 4.230 50 0 JIAARN CC(=O)Oc1cccc(N2C(=O)c3ccc(C(=O)Nc4cccc(C(=O)NCC(C)C)c4)cc3C2=O)c1 ZINC000001215472 194072795 /nfs/dbraw/zinc/07/27/95/194072795.db2.gz DWDQUUTYLXPHBA-UHFFFAOYSA-N 0 0 499.523 4.051 50 0 JIAARN CCOC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000001218792 194073329 /nfs/dbraw/zinc/07/33/29/194073329.db2.gz BWUVCXMPVKXJHD-QGZVFWFLSA-N 0 0 474.797 4.276 50 0 JIAARN CCOC(=O)c1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000001218791 194073457 /nfs/dbraw/zinc/07/34/57/194073457.db2.gz BWUVCXMPVKXJHD-KRWDZBQOSA-N 0 0 474.797 4.276 50 0 JIAARN CC[C@H](C)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000001329344 194088704 /nfs/dbraw/zinc/08/87/04/194088704.db2.gz UUSAOCIIZUWRSU-KRWDZBQOSA-N 0 0 468.616 4.036 50 0 JIAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(F)cc1)c2C(=O)Nc1ccccc1OC ZINC000001320851 194084467 /nfs/dbraw/zinc/08/44/67/194084467.db2.gz FLDJSHYBVUQNBH-UHFFFAOYSA-N 0 0 480.521 4.361 50 0 JIAARN COC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001320899 194084526 /nfs/dbraw/zinc/08/45/26/194084526.db2.gz XIZOBGZOPWILIU-UHFFFAOYSA-N 0 0 496.932 4.009 50 0 JIAARN COc1cccc(C(=O)C[C@@]2(O)c3cc(Br)ccc3N(Cc3ccccc3)C2=O)c1 ZINC000001430633 194119798 /nfs/dbraw/zinc/11/97/98/194119798.db2.gz UYCMXURVRLHQSO-XMMPIXPASA-N 0 0 466.331 4.465 50 0 JIAARN CN1C(=O)N(C)C(=O)C(Cc2ccc(Br)cc2)(Cc2ccc(Br)cc2)C1=O ZINC000001383684 194113664 /nfs/dbraw/zinc/11/36/64/194113664.db2.gz QLRZSMKGVPOBTA-UHFFFAOYSA-N 0 0 494.183 4.034 50 0 JIAARN C[C@@](O)(CS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000001391960 194114377 /nfs/dbraw/zinc/11/43/77/194114377.db2.gz ZUQQEEWGWCPXTJ-MRXNPFEDSA-N 0 0 456.269 4.176 50 0 JIAARN CC[C@@](C)(C(=O)Nc1ccc(OC)cc1)N(Cc1cccnc1)C(=O)CSc1nc(C)cc(C)n1 ZINC000001405469 194115854 /nfs/dbraw/zinc/11/58/54/194115854.db2.gz XSIWYGZXSFIZDU-SANMLTNESA-N 0 0 493.633 4.425 50 0 JIAARN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4ccc(C)o4)c(=O)n31)c1ccccc1CC2 ZINC000001406863 194116060 /nfs/dbraw/zinc/11/60/60/194116060.db2.gz HMZNNJUXEDSBFV-XXMKCSCWSA-N 0 0 454.551 4.229 50 0 JIAARN CCOc1cc(Br)ccc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(OC)cc21 ZINC000001424203 194118570 /nfs/dbraw/zinc/11/85/70/194118570.db2.gz DLCCEOHUUQLXCM-UHFFFAOYSA-N 0 0 467.385 4.167 50 0 JIAARN COc1ccc(F)cc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(OC(F)(F)Cl)cc21 ZINC000001424308 194118597 /nfs/dbraw/zinc/11/85/97/194118597.db2.gz QDDVBXUOFNYENY-UHFFFAOYSA-N 0 0 462.877 4.313 50 0 JIAARN COc1ccc([N-]S(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CC[NH2+]CC1 ZINC000001489208 194125979 /nfs/dbraw/zinc/12/59/79/194125979.db2.gz LOCQRDBFWSXQQI-UHFFFAOYSA-N 0 0 452.001 4.082 50 0 in-vivo JIAARN CCCCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000001595473 194128971 /nfs/dbraw/zinc/12/89/71/194128971.db2.gz WGSMRXCWYQHBDJ-FQEVSTJZSA-N 0 0 454.567 4.465 50 0 biogenic JIAARN NS(=O)(=O)c1ccc(CCNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000001447672 194122762 /nfs/dbraw/zinc/12/27/62/194122762.db2.gz ONVBSULXANDICA-UHFFFAOYSA-N 0 0 469.570 4.390 50 0 JIAARN Cc1ccccc1C(=O)N[C@H](NC(=S)Nc1ccc(Cl)cn1)C(Cl)(Cl)Cl ZINC000001446593 194122972 /nfs/dbraw/zinc/12/29/72/194122972.db2.gz FDLADPRBNUBLGR-CQSZACIVSA-N 0 0 452.194 4.456 50 0 JIAARN NC(=O)c1c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)sc2c1CCCC2 ZINC000001776424 194138171 /nfs/dbraw/zinc/13/81/71/194138171.db2.gz TXPFZVWPQRLDNI-DHDCSXOGSA-N 0 0 475.979 4.054 50 0 JIAARN O=C(c1ccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1)N1CCc2ccccc2C1 ZINC000001785832 194139852 /nfs/dbraw/zinc/13/98/52/194139852.db2.gz UHBABSUJPADHDC-UHFFFAOYSA-N 0 0 485.971 4.359 50 0 JIAARN CCOc1ccccc1NC(=O)c1c(C(=O)Nc2ccc(F)cc2)sc2nc(C)cc(=O)n21 ZINC000001785977 194139896 /nfs/dbraw/zinc/13/98/96/194139896.db2.gz XXIUANWNLRFSNQ-UHFFFAOYSA-N 0 0 466.494 4.107 50 0 JIAARN COC(=O)c1c(NC(=O)COc2ccc(-c3ccccc3)cc2)sc2c1[C@@H](C(=O)OC)CC2 ZINC000001744159 194133384 /nfs/dbraw/zinc/13/33/84/194133384.db2.gz XFCGJEZYCMNNFU-SFHVURJKSA-N 0 0 465.527 4.422 50 0 JIAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C(C)C)CC(=O)N23)ccc1OC(C)C ZINC000002111361 194157251 /nfs/dbraw/zinc/15/72/51/194157251.db2.gz WVTCFVMWLOOPDX-HFZDXXHNSA-N 0 0 461.562 4.057 50 0 biogenic JIAARN Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Br)c2)s1 ZINC000002703615 194164168 /nfs/dbraw/zinc/16/41/68/194164168.db2.gz MNLLSDGPMKLHSQ-INIZCTEOSA-N 0 0 454.305 4.465 50 0 JIAARN Cc1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)sc2ncn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c12 ZINC000002925824 194171679 /nfs/dbraw/zinc/17/16/79/194171679.db2.gz RQIGXXDYCMQUOB-KBPBESRZSA-N 0 0 487.025 4.485 50 0 JIAARN COc1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(F)cc2)cc1OC ZINC000002908889 194168455 /nfs/dbraw/zinc/16/84/55/194168455.db2.gz GITWWULJSIYRLZ-UHFFFAOYSA-N 0 0 499.589 4.055 50 0 JIAARN Cc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 ZINC000002922352 194169770 /nfs/dbraw/zinc/16/97/70/194169770.db2.gz VFJHSHNHUTVWAZ-UHFFFAOYSA-N 0 0 478.496 4.050 50 0 JIAARN Cc1c(C(=O)Nc2cccc(Cl)c2)sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 ZINC000002922456 194169914 /nfs/dbraw/zinc/16/99/14/194169914.db2.gz AZSAYDMNJPJDFO-ZDUSSCGKSA-N 0 0 458.971 4.073 50 0 JIAARN COc1cc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2F)cc(OC)c1 ZINC000002953213 194178461 /nfs/dbraw/zinc/17/84/61/194178461.db2.gz BSQJJOFZEQADTO-FVDSYPCUSA-N 0 0 463.465 4.270 50 0 JIAARN COc1cc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2OC)cc(OC)c1 ZINC000002955114 194179169 /nfs/dbraw/zinc/17/91/69/194179169.db2.gz HINMOOPNCSXIGG-SGEDCAFJSA-N 0 0 475.501 4.139 50 0 JIAARN COc1ccc(C2=C3CCCC[C@@H]3N=c3s/c(=C\c4ccc(Br)cc4)c(=O)n32)cc1 ZINC000002959751 194181076 /nfs/dbraw/zinc/18/10/76/194181076.db2.gz MMMIZSDJHAEDQE-RUAJRXAUSA-N 0 0 481.415 4.345 50 0 JIAARN COc1ccccc1NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1C ZINC000002927218 194172008 /nfs/dbraw/zinc/17/20/08/194172008.db2.gz MKINYAGWEPUYFX-UHFFFAOYSA-N 0 0 468.970 4.238 50 0 JIAARN Cc1ccc(CSCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000002932690 194173635 /nfs/dbraw/zinc/17/36/35/194173635.db2.gz PKJGOIOSDKCXOR-UHFFFAOYSA-N 0 0 454.617 4.483 50 0 JIAARN O=C(NCc1ccccc1Cl)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002938350 194174239 /nfs/dbraw/zinc/17/42/39/194174239.db2.gz FPFREHCGHNEBHA-UHFFFAOYSA-N 0 0 455.407 4.395 50 0 JIAARN Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)Nc3c(F)cc(F)cc3Br)n21 ZINC000002948026 194176657 /nfs/dbraw/zinc/17/66/57/194176657.db2.gz LZSTXMCKOVARDM-LLVKDONJSA-N 0 0 461.266 4.198 50 0 JIAARN CC[C@H](C)NC(=O)CSc1nc2ccccc2c(NCCc2ccc(OC)c(OC)c2)n1 ZINC000002948773 194176855 /nfs/dbraw/zinc/17/68/55/194176855.db2.gz IUNXCEIHKHZGQR-INIZCTEOSA-N 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194381114 /nfs/dbraw/zinc/38/11/14/194381114.db2.gz RKALWBQDCWDXHF-UHFFFAOYSA-N 0 0 495.051 4.154 50 0 JIAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000004647780 194393524 /nfs/dbraw/zinc/39/35/24/194393524.db2.gz YOQKOZSDWGZIRA-KRWDZBQOSA-N 0 0 470.522 4.427 50 0 JIAARN Cc1cccc(N2CCN(C(=O)[C@@H]3c4ccccc4C(=O)N4CCc5ccccc5[C@H]34)CC2)c1C ZINC000004789405 194399554 /nfs/dbraw/zinc/39/95/54/194399554.db2.gz GBEWNUOHVGJGKG-VSGBNLITSA-N 0 0 465.597 4.489 50 0 JIAARN COc1ccccc1CNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccs1 ZINC000004760050 194395423 /nfs/dbraw/zinc/39/54/23/194395423.db2.gz AIGJNNPACPQFRA-GOTSBHOMSA-N 0 0 466.559 4.001 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc3c(c1)OCO3)[C@@H](c1cccs1)N(C)C2=O ZINC000004760211 194395564 /nfs/dbraw/zinc/39/55/64/194395564.db2.gz HKQPOEHCCKSXMP-FGZHOGPDSA-N 0 0 466.515 4.043 50 0 JIAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000006144282 194414875 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476.939 4.205 50 0 JIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc(Nc3ccc(OC)cc3OC)nc3ccccc32)C1 ZINC000008670959 194474075 /nfs/dbraw/zinc/47/40/75/194474075.db2.gz GXXAHSOTQYISRA-KRWDZBQOSA-N 0 0 463.534 4.411 50 0 JIAARN COCCn1c(SCc2nc(N)nc(Nc3ccccc3C)n2)nnc1-c1cccc(C)c1 ZINC000009023459 194506876 /nfs/dbraw/zinc/50/68/76/194506876.db2.gz HBPYZXMVXQNGBX-UHFFFAOYSA-N 0 0 462.583 4.011 50 0 JIAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009054314 194513206 /nfs/dbraw/zinc/51/32/06/194513206.db2.gz FTFXWWQLWNRXTJ-DTQAZKPQSA-N 0 0 492.645 4.168 50 0 JIAARN C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009056205 194513415 /nfs/dbraw/zinc/51/34/15/194513415.db2.gz XHWWSBTYGTVDGU-OAHLLOKOSA-N 0 0 474.970 4.258 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCCCCC1 ZINC000009090558 194525036 /nfs/dbraw/zinc/52/50/36/194525036.db2.gz GSCYJIGGAGTSPK-DVECYGJZSA-N 0 0 465.594 4.495 50 0 JIAARN 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ZINC000012660528 195080407 /nfs/dbraw/zinc/08/04/07/195080407.db2.gz VRKRWENUJHICRF-RDGATRHJSA-N 0 0 488.540 4.461 50 0 biogenic JIAARN COc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2cc(OC)ccc2OC)c(OC)c1 ZINC000012662188 195081515 /nfs/dbraw/zinc/08/15/15/195081515.db2.gz YWLMQUYGBUSDIY-CVJWPJSTSA-N 0 0 455.551 4.230 50 0 biogenic JIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 ZINC000012675987 195082094 /nfs/dbraw/zinc/08/20/94/195082094.db2.gz NJQITLWLUZTECI-UHFFFAOYSA-N 0 0 463.563 4.482 50 0 JIAARN O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012679114 195083659 /nfs/dbraw/zinc/08/36/59/195083659.db2.gz HPPHHEZXYPDZKS-HSZRJFAPSA-N 0 0 487.672 4.180 50 0 JIAARN COc1ccccc1N1C[C@@H](C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)CC1=O ZINC000012686322 195086015 /nfs/dbraw/zinc/08/60/15/195086015.db2.gz AEWZRRGMGGCOEG-KMRXNPHXSA-N 0 0 486.568 4.240 50 0 JIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000012695926 195090133 /nfs/dbraw/zinc/09/01/33/195090133.db2.gz FXYXBZAUHXICRW-JOCHJYFZSA-N 0 0 486.663 4.330 50 0 JIAARN C[C@@H](NC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O)c1ccc2c(c1)OCO2 ZINC000012697219 195090523 /nfs/dbraw/zinc/09/05/23/195090523.db2.gz IFFSDVZJEBPMNF-CYBMUJFWSA-N 0 0 467.934 4.385 50 0 JIAARN O=C(CCN1c2ccccc2Sc2ccccc21)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012657013 195078501 /nfs/dbraw/zinc/07/85/01/195078501.db2.gz PAJXTBIZBPUOBY-UHFFFAOYSA-N 0 0 495.626 4.339 50 0 JIAARN CCOc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2Cl)N2CCOCC2)cc1OC ZINC000012728964 195098058 /nfs/dbraw/zinc/09/80/58/195098058.db2.gz UZZTVAZFELJDBX-FQEVSTJZSA-N 0 0 467.393 4.133 50 0 JIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c1 ZINC000012729835 195098515 /nfs/dbraw/zinc/09/85/15/195098515.db2.gz FYUVHEWOLFDPBN-HSZRJFAPSA-N 0 0 486.634 4.085 50 0 JIAARN COc1cc(CN(C)C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)ccc1OC(F)F ZINC000012733246 195099277 /nfs/dbraw/zinc/09/92/77/195099277.db2.gz GXJYHSUKJQDPQP-UHFFFAOYSA-N 0 0 471.504 4.395 50 0 JIAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)c1C ZINC000012734770 195099908 /nfs/dbraw/zinc/09/99/08/195099908.db2.gz XPKVPHSTCSZXQU-UHFFFAOYSA-N 0 0 488.245 4.339 50 0 JIAARN COc1ccc(C(=O)C2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)CC2)cc1 ZINC000012740973 195100885 /nfs/dbraw/zinc/10/08/85/195100885.db2.gz VCWKQEBKDCKZHX-AREMUKBSSA-N 0 0 470.569 4.158 50 0 JIAARN CCCCN(C)C(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000012743387 195101715 /nfs/dbraw/zinc/10/17/15/195101715.db2.gz LWQMEJONPNSCPO-OFVILXPXSA-N 0 0 454.567 4.455 50 0 JIAARN COc1ccc(C(=O)C2CCN(C(=O)C3=NN(c4ccc(C)c(Cl)c4)C(=O)CC3)CC2)cc1 ZINC000012744791 195101894 /nfs/dbraw/zinc/10/18/94/195101894.db2.gz KOLOTVYIAJWOGU-UHFFFAOYSA-N 0 0 467.953 4.261 50 0 JIAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000012747307 195103254 /nfs/dbraw/zinc/10/32/54/195103254.db2.gz MIKNZASBQCVMKY-UHFFFAOYSA-N 0 0 488.531 4.159 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000012750201 195105197 /nfs/dbraw/zinc/10/51/97/195105197.db2.gz MUSHKIDSOVLUPK-UHFFFAOYSA-N 0 0 451.611 4.153 50 0 JIAARN COc1ccc([C@@H](CNC(=O)CSc2ccc(Br)cc2C)N2CCOCC2)cc1 ZINC000012750107 195105180 /nfs/dbraw/zinc/10/51/80/195105180.db2.gz SXOBOJCYFUNFIB-HXUWFJFHSA-N 0 0 479.440 4.048 50 0 JIAARN COCCn1c(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000012752782 195106991 /nfs/dbraw/zinc/10/69/91/195106991.db2.gz AGAAXBBSDWTPOX-PBHICJAKSA-N 0 0 459.637 4.122 50 0 JIAARN COCCn1c(=O)c2cc(-c3ccccc3)sc2nc1SCC(=O)NCCc1ccc(F)cc1 ZINC000012755864 195108446 /nfs/dbraw/zinc/10/84/46/195108446.db2.gz WJOJWURQXLUUOA-UHFFFAOYSA-N 0 0 497.617 4.362 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3c(C)cc(C)cc3Cl)c12 ZINC000012756232 195108688 /nfs/dbraw/zinc/10/86/88/195108688.db2.gz ZCPKHBDENQONGD-INIZCTEOSA-N 0 0 472.998 4.499 50 0 JIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000012763651 195112155 /nfs/dbraw/zinc/11/21/55/195112155.db2.gz FECWDZUHYINQPT-QGZVFWFLSA-N 0 0 465.600 4.140 50 0 JIAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000012764404 195112766 /nfs/dbraw/zinc/11/27/66/195112766.db2.gz ZHTMEDKJPYQDGQ-UHFFFAOYSA-N 0 0 464.543 4.242 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCCOc3ccc(F)cc3)o2)c1 ZINC000012766024 195113558 /nfs/dbraw/zinc/11/35/58/195113558.db2.gz VVAKPQKVZJMIBP-UHFFFAOYSA-N 0 0 465.572 4.467 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)o3)CC2)cc1 ZINC000012768278 195115714 /nfs/dbraw/zinc/11/57/14/195115714.db2.gz VGQOVNXITRNYCS-UHFFFAOYSA-N 0 0 467.572 4.011 50 0 JIAARN CN(C(=O)CSc1nnc(NC2CC2)s1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000012768943 195116113 /nfs/dbraw/zinc/11/61/13/195116113.db2.gz YKQHAXLRXHLYNI-FQEVSTJZSA-N 0 0 451.017 4.355 50 0 JIAARN CN1c2ccccc2C(=O)[C@H](C(c2ccc(Cl)cc2)[C@H]2C(=O)c3ccccc3N(C)C2=O)C1=O ZINC000012771059 195117811 /nfs/dbraw/zinc/11/78/11/195117811.db2.gz ADDSBISWEJIARR-GOTSBHOMSA-N 0 0 472.928 4.375 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3c(C)cc(C)cc3C)c12 ZINC000012769856 195116726 /nfs/dbraw/zinc/11/67/26/195116726.db2.gz ZPXGTNJWHYPTQE-SFHVURJKSA-N 0 0 452.580 4.154 50 0 JIAARN CCc1c(C)sc2nc(SCCC(=O)NC3CCCCC3)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000012772727 195118925 /nfs/dbraw/zinc/11/89/25/195118925.db2.gz RHUHBVSNGMAHBT-KRWDZBQOSA-N 0 0 463.669 4.439 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000012773133 195118947 /nfs/dbraw/zinc/11/89/47/195118947.db2.gz RZWAXBMLCBHMSQ-GOSISDBHSA-N 0 0 455.349 4.079 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(Cl)c3)c12 ZINC000012777042 195121704 /nfs/dbraw/zinc/12/17/04/195121704.db2.gz QTBKKFGQSFDUMN-CQSZACIVSA-N 0 0 462.934 4.022 50 0 JIAARN CNS(=O)(=O)c1cc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)ccc1C ZINC000012777597 195122234 /nfs/dbraw/zinc/12/22/34/195122234.db2.gz LVJZDXBEZPRUTM-UHFFFAOYSA-N 0 0 469.592 4.210 50 0 JIAARN CC(C)Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000012778038 195122533 /nfs/dbraw/zinc/12/25/33/195122533.db2.gz ISCFQMVMFNMBCF-KRWDZBQOSA-N 0 0 465.015 4.050 50 0 JIAARN Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000012778179 195122539 /nfs/dbraw/zinc/12/25/39/195122539.db2.gz GZYMLLGFZKAEAQ-IBGZPJMESA-N 0 0 458.628 4.065 50 0 JIAARN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)OCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000012780305 195124034 /nfs/dbraw/zinc/12/40/34/195124034.db2.gz WLXMGLMMTQKJFL-WMZHIEFXSA-N 0 0 497.548 4.156 50 0 JIAARN CN(CC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)S(=O)(=O)c1ccc(Cl)s1 ZINC000012780930 195124468 /nfs/dbraw/zinc/12/44/68/195124468.db2.gz BSHSJFJOVDHDSB-UHFFFAOYSA-N 0 0 461.952 4.469 50 0 JIAARN Cc1cccc(C)c1NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 ZINC000012780864 195124518 /nfs/dbraw/zinc/12/45/18/195124518.db2.gz KMFKOTPBKLEMTJ-UHFFFAOYSA-N 0 0 495.601 4.167 50 0 JIAARN Cc1ccc(-c2cnc(CCC(=O)N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)o2)cc1C ZINC000012780637 195124555 /nfs/dbraw/zinc/12/45/55/195124555.db2.gz JVTIXEBVLOANPA-UHFFFAOYSA-N 0 0 488.009 4.078 50 0 JIAARN CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)ccc1Cl ZINC000012782792 195125448 /nfs/dbraw/zinc/12/54/48/195125448.db2.gz BWQNSQGDANDUME-UHFFFAOYSA-N 0 0 488.013 4.218 50 0 JIAARN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccc(Br)cc1 ZINC000012782112 195124917 /nfs/dbraw/zinc/12/49/17/195124917.db2.gz JICKYCUAFXALRM-UHFFFAOYSA-N 0 0 468.277 4.119 50 0 JIAARN COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000012784810 195127004 /nfs/dbraw/zinc/12/70/04/195127004.db2.gz LGDKBVRRCPXWEG-UHFFFAOYSA-N 0 0 469.346 4.107 50 0 JIAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012788808 195130159 /nfs/dbraw/zinc/13/01/59/195130159.db2.gz XTNLKCRKEHOEGI-UHFFFAOYSA-N 0 0 471.575 4.328 50 0 JIAARN COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)OCC(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000012791699 195132506 /nfs/dbraw/zinc/13/25/06/195132506.db2.gz IZUHAMZLDGDXKB-BBKFTCMMSA-N 0 0 472.541 4.424 50 0 JIAARN O=C(Nc1ccc(OC(F)F)cc1)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000012793931 195134245 /nfs/dbraw/zinc/13/42/45/195134245.db2.gz YVORVDOKSUUFDR-SANMLTNESA-N 0 0 477.467 4.406 50 0 JIAARN CCCCn1c(N)c(N(C(=O)c2cccc(Oc3ccccc3)c2)C2CCCC2)c(=O)[nH]c1=O ZINC000012793784 195134334 /nfs/dbraw/zinc/13/43/34/195134334.db2.gz GBTIQUUFIIBWDF-UHFFFAOYSA-N 0 0 462.550 4.301 50 0 JIAARN CC(C)c1ccc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)cc1 ZINC000012799557 195138360 /nfs/dbraw/zinc/13/83/60/195138360.db2.gz HZORXVBEOUCYHG-UHFFFAOYSA-N 0 0 459.593 4.173 50 0 JIAARN C[C@H](Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)C(=O)Nc1ccccc1 ZINC000012800847 195139011 /nfs/dbraw/zinc/13/90/11/195139011.db2.gz AJYFOQHHNRSKES-KRWDZBQOSA-N 0 0 459.575 4.380 50 0 JIAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(c1ccccc1)c1ccccc1 ZINC000012801610 195139565 /nfs/dbraw/zinc/13/95/65/195139565.db2.gz NGIDUEIPIFPEDE-UHFFFAOYSA-N 0 0 470.978 4.132 50 0 JIAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1ccc2c(c1)OCCO2 ZINC000012802819 195140307 /nfs/dbraw/zinc/14/03/07/195140307.db2.gz ROZFVDMRENNVAT-CQSZACIVSA-N 0 0 499.416 4.043 50 0 JIAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000012806524 195141730 /nfs/dbraw/zinc/14/17/30/195141730.db2.gz OJGLVQCKOWSLEC-GOSISDBHSA-N 0 0 463.540 4.381 50 0 JIAARN CCN(C(=O)CSc1nc2ccc(Br)cc2c(=O)n1CCOC)c1ccc(F)cc1 ZINC000012806217 195141775 /nfs/dbraw/zinc/14/17/75/195141775.db2.gz PPTJILGXRBYEEZ-UHFFFAOYSA-N 0 0 494.386 4.090 50 0 JIAARN CCN(C(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccco1)C1=CCCCC1 ZINC000012806187 195141782 /nfs/dbraw/zinc/14/17/82/195141782.db2.gz UXWFBHSDLPQHAY-UHFFFAOYSA-N 0 0 481.574 4.223 50 0 JIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000012806639 195142040 /nfs/dbraw/zinc/14/20/40/195142040.db2.gz SLODRQDJKATABE-OAHLLOKOSA-N 0 0 498.432 4.267 50 0 JIAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000012807589 195142502 /nfs/dbraw/zinc/14/25/02/195142502.db2.gz XMNPONNJIUUIBZ-NRFANRHFSA-N 0 0 490.654 4.468 50 0 JIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000012811751 195144506 /nfs/dbraw/zinc/14/45/06/195144506.db2.gz HUUWWIABKJVEFZ-UHFFFAOYSA-N 0 0 484.330 4.221 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 ZINC000012815126 195146643 /nfs/dbraw/zinc/14/66/43/195146643.db2.gz PJJCGQWGPWGFHN-UHFFFAOYSA-N 0 0 496.629 4.019 50 0 JIAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C(=O)OCC)cc1 ZINC000012815731 195146776 /nfs/dbraw/zinc/14/67/76/195146776.db2.gz QWBDULNLUZPDFV-UHFFFAOYSA-N 0 0 473.378 4.210 50 0 JIAARN CC(=O)c1ccc(N2CCN(C[C@H](O)COc3ccc(Oc4ccccc4)cc3)CC2)c(F)c1 ZINC000012821619 195149541 /nfs/dbraw/zinc/14/95/41/195149541.db2.gz RYNRRMSTZXVBOG-QFIPXVFZSA-N 0 0 464.537 4.383 50 0 JIAARN CCOc1cc2c(cc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(C)cc1)O[C@H](C)C2 ZINC000012824346 195150538 /nfs/dbraw/zinc/15/05/38/195150538.db2.gz YBNKJBXNVQGILO-GOSISDBHSA-N 0 0 484.574 4.140 50 0 JIAARN Cc1c(Cl)cccc1Nc1nn(CN(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(=S)s1 ZINC000012823131 195150398 /nfs/dbraw/zinc/15/03/98/195150398.db2.gz FKEAHUJCQIDPJR-AWEZNQCLSA-N 0 0 461.078 4.482 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N(Cc1ccc(F)cc1)C1CC1 ZINC000012845822 195152191 /nfs/dbraw/zinc/15/21/91/195152191.db2.gz BSJTYYQHXJDOCJ-UHFFFAOYSA-N 0 0 450.963 4.071 50 0 JIAARN Cc1ccc(-c2noc(CCCSc3nnc(-c4ccc(OC(F)F)cc4)n3N)n2)cc1F ZINC000012861354 195159155 /nfs/dbraw/zinc/15/91/55/195159155.db2.gz UMGLIMYFCWVEHK-UHFFFAOYSA-N 0 0 476.484 4.483 50 0 JIAARN O=C(c1ccc(F)cc1)N1CCCC[C@H](Sc2nnc(-c3cccnc3)n2Cc2ccco2)C1=O ZINC000012871203 195163589 /nfs/dbraw/zinc/16/35/89/195163589.db2.gz PVVIZXOGCVHEPY-NRFANRHFSA-N 0 0 491.548 4.434 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@H](c1cccs1)c1ccccc1 ZINC000012873835 195164811 /nfs/dbraw/zinc/16/48/11/195164811.db2.gz NAQCHPCOUGKPGN-VWLOTQADSA-N 0 0 499.658 4.249 50 0 JIAARN COc1ccccc1[C@@H]1CN2C(=O)CN(CCCOC(C)C)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012875045 195165677 /nfs/dbraw/zinc/16/56/77/195165677.db2.gz AECNFRQRGCYHSB-KMRXNPHXSA-N 0 0 475.589 4.023 50 0 biogenic JIAARN COc1ccc(CN(C)C(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1OC ZINC000012885273 195170194 /nfs/dbraw/zinc/17/01/94/195170194.db2.gz ZMLOCEUGXJOVDI-UHFFFAOYSA-N 0 0 474.892 4.169 50 0 JIAARN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000012887124 195170938 /nfs/dbraw/zinc/17/09/38/195170938.db2.gz QZKRSHCLCANMLT-HSZRJFAPSA-N 0 0 496.592 4.424 50 0 JIAARN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000012887117 195171012 /nfs/dbraw/zinc/17/10/12/195171012.db2.gz QZKRSHCLCANMLT-QHCPKHFHSA-N 0 0 496.592 4.424 50 0 JIAARN COc1ccc(-c2noc(CCC(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1 ZINC000012889334 195172066 /nfs/dbraw/zinc/17/20/66/195172066.db2.gz YSSLPYCPQNKCJR-UHFFFAOYSA-N 0 0 496.873 4.447 50 0 JIAARN O=C(Nc1ccnn1Cc1ccccc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012891716 195173287 /nfs/dbraw/zinc/17/32/87/195173287.db2.gz XOKJUDHQYDLNKU-UHFFFAOYSA-N 0 0 493.416 4.278 50 0 JIAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000012892427 195173573 /nfs/dbraw/zinc/17/35/73/195173573.db2.gz QHBFOXAPNOBCEU-GOSISDBHSA-N 0 0 483.977 4.128 50 0 JIAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)NCCC(=O)Nc2ccccc2)cc1 ZINC000012892949 195174190 /nfs/dbraw/zinc/17/41/90/195174190.db2.gz CMTXHUMOJVGJQI-HHHXNRCGSA-N 0 0 489.572 4.398 50 0 biogenic JIAARN CCOC(=O)c1c(NC(=O)Cn2c3cc(C)nn3c(=O)cc2C)sc(C)c1-c1ccc(C)cc1 ZINC000012893514 195174200 /nfs/dbraw/zinc/17/42/00/195174200.db2.gz URYNYTHSQRDPLJ-UHFFFAOYSA-N 0 0 478.574 4.274 50 0 JIAARN COc1ccc(-c2noc(CCCCCNC(=O)/C=C/c3cc(OC)c4c(c3)OCCO4)n2)cc1 ZINC000012897532 195175910 /nfs/dbraw/zinc/17/59/10/195175910.db2.gz MRKIHAKHSMRXSN-KPKJPENVSA-N 0 0 479.533 4.067 50 0 JIAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000012897712 195176104 /nfs/dbraw/zinc/17/61/04/195176104.db2.gz BLNNVFZLFFZBQQ-ZBEGNZNMSA-N 0 0 482.389 4.203 50 0 JIAARN C[C@H]1CCc2sc(-c3nnc(SCC(=O)Nc4sc5c(c4C(N)=O)CCC5)o3)cc2C1 ZINC000012864968 195161245 /nfs/dbraw/zinc/16/12/45/195161245.db2.gz NMMGJXJEMCPYAQ-JTQLQIEISA-N 0 0 474.633 4.303 50 0 JIAARN Cc1cc(Br)cc(Cl)c1OCC(=O)NCc1cccc(NC(=O)C2CC2)c1 ZINC000012865007 195161258 /nfs/dbraw/zinc/16/12/58/195161258.db2.gz OITDSIWDLITOBN-UHFFFAOYSA-N 0 0 451.748 4.455 50 0 JIAARN Cc1ccc2c(c1)[C@H]1NC(=S)N(c3ccc(Br)cc3)[C@@](C)(O2)[C@@H]1C(=O)N(C)C ZINC000020641746 195193391 /nfs/dbraw/zinc/19/33/91/195193391.db2.gz IQZWOOVFMOVVQM-UEXGIBASSA-N 0 0 460.397 4.006 50 0 JIAARN COc1ccccc1CNC(=O)Cc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000012901869 195177797 /nfs/dbraw/zinc/17/77/97/195177797.db2.gz YSIMTRAWLMZXDQ-UHFFFAOYSA-N 0 0 451.519 4.081 50 0 biogenic JIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cccnc2-n2cncn2)c1 ZINC000012904132 195178724 /nfs/dbraw/zinc/17/87/24/195178724.db2.gz VJZGDMFUDPRSIN-UHFFFAOYSA-N 0 0 452.396 4.186 50 0 JIAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000012906723 195180030 /nfs/dbraw/zinc/18/00/30/195180030.db2.gz YMSFBXSMXVYLPO-UHFFFAOYSA-N 0 0 452.363 4.155 50 0 JIAARN COc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C/NC[C@H](c2ccco2)N(C)C)C1=O ZINC000020647147 195195175 /nfs/dbraw/zinc/19/51/75/195195175.db2.gz WCFONJJQPYVTGZ-LUDQZLGDSA-N 0 0 465.937 4.362 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CSc2nc(-c3ccccc3)cs2)cc1 ZINC000012907133 195180209 /nfs/dbraw/zinc/18/02/09/195180209.db2.gz PTRKDIBLVALCEB-UHFFFAOYSA-N 0 0 475.661 4.249 50 0 JIAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc(Br)s3)cs2)cc1 ZINC000020604866 195180599 /nfs/dbraw/zinc/18/05/99/195180599.db2.gz ROSJRTDPHIRSPW-UHFFFAOYSA-N 0 0 457.396 4.355 50 0 JIAARN COc1cc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(F)cc2F)cc(OC)c1 ZINC000020617120 195188998 /nfs/dbraw/zinc/18/89/98/195188998.db2.gz NVHCVSUDOGRZJA-GNVQSUKOSA-N 0 0 481.455 4.409 50 0 JIAARN Cc1oc2c(cc3c(C)c(CC(=O)N4CCN(CCc5ccncc5)CC4)c(=O)oc3c2C)c1C ZINC000020624112 195190646 /nfs/dbraw/zinc/19/06/46/195190646.db2.gz AYSPESUSHJDTNK-UHFFFAOYSA-N 0 0 473.573 4.097 50 0 JIAARN O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCN(CCc2ccncc2)CC1 ZINC000020676245 195200629 /nfs/dbraw/zinc/20/06/29/195200629.db2.gz KPWKXTMENSTRHH-MHZLTWQESA-N 0 0 470.573 4.128 50 0 JIAARN COc1ccc(NC(=S)N(CCCN2CCOCC2)Cc2cn(C)c3ccccc23)cc1OC ZINC000020676555 195201147 /nfs/dbraw/zinc/20/11/47/195201147.db2.gz VXXIKJGURZBJAV-UHFFFAOYSA-N 0 0 482.650 4.117 50 0 JIAARN COc1ccc(CCNC(=O)CNC(=S)N(Cc2cccs2)Cc2ccccc2)cc1OC ZINC000020678473 195203015 /nfs/dbraw/zinc/20/30/15/195203015.db2.gz OOAODSWWBQJQFJ-UHFFFAOYSA-N 0 0 483.659 4.001 50 0 JIAARN COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Br)cc2F)cc1 ZINC000020733049 195211256 /nfs/dbraw/zinc/21/12/56/195211256.db2.gz OTYTZWWBFJSKEZ-IBGZPJMESA-N 0 0 473.302 4.278 50 0 JIAARN CCN(CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)Cc1ccc(Br)s1 ZINC000020814955 195229320 /nfs/dbraw/zinc/22/93/20/195229320.db2.gz LSBFBWKPLBLJFW-UHFFFAOYSA-N 0 0 452.418 4.013 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NCCCc2ccccc2)cc1 ZINC000020851665 195231585 /nfs/dbraw/zinc/23/15/85/195231585.db2.gz HVLCCHZXQLPNLO-SANMLTNESA-N 0 0 462.615 4.422 50 0 JIAARN CNC(=O)NC(=O)[C@@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 ZINC000020895181 195239307 /nfs/dbraw/zinc/23/93/07/195239307.db2.gz IUDOEMDPNNVZHA-CQSZACIVSA-N 0 0 498.659 4.165 50 0 JIAARN Cc1nn2c(nc(COc3cccc(NC(=O)CSc4ccc(C)cc4)c3)cc2=O)s1 ZINC000020859144 195232777 /nfs/dbraw/zinc/23/27/77/195232777.db2.gz GUDCIILWTBNVTK-UHFFFAOYSA-N 0 0 452.561 4.078 50 0 JIAARN CCc1nn(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)c2cc3sc(C)cc3n21 ZINC000020862582 195233863 /nfs/dbraw/zinc/23/38/63/195233863.db2.gz JZZQXGNEXVWSMA-SBNSQYLKSA-N 0 0 452.624 4.303 50 0 JIAARN CC[C@H](C(=O)NCc1ccc(OC)cc1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937678 195253765 /nfs/dbraw/zinc/25/37/65/195253765.db2.gz GVNVNDGYAUHJCE-HSZRJFAPSA-N 0 0 469.607 4.092 50 0 JIAARN Cn1cccc1-c1cc2n(n1)CCCN2C(=O)CCC(=O)NCCSC12CC3CC(CC(C3)C1)C2 ZINC000020944504 195256419 /nfs/dbraw/zinc/25/64/19/195256419.db2.gz ISMLACFOLHWBLN-UHFFFAOYSA-N 0 0 495.693 4.224 50 0 JIAARN Cc1ccsc1CCNC(=O)c1nc(-c2cn(-c3ccc(Br)cc3)nc2C)no1 ZINC000020946758 195257125 /nfs/dbraw/zinc/25/71/25/195257125.db2.gz RYNQMTTXLNGRQF-UHFFFAOYSA-N 0 0 472.368 4.336 50 0 JIAARN O=C(Nc1ccc(Br)cc1F)c1cccn1-c1nnc(N2CCCCC2)s1 ZINC000020980885 195258704 /nfs/dbraw/zinc/25/87/04/195258704.db2.gz ZYWNJFBFQWIVQU-UHFFFAOYSA-N 0 0 450.337 4.473 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Cn2nc3c4cc(F)ccc4n(Cc4ccccc4)cc-3c2=O)cc1 ZINC000020937273 195253307 /nfs/dbraw/zinc/25/33/07/195253307.db2.gz RDECNROZPWKHSY-UHFFFAOYSA-N 0 0 498.514 4.306 50 0 JIAARN O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3F)cc-2c1=O)NCc1ccc(F)cc1 ZINC000020937316 195253443 /nfs/dbraw/zinc/25/34/43/195253443.db2.gz JRUMQQOGHSESNJ-UHFFFAOYSA-N 0 0 476.458 4.085 50 0 JIAARN COc1ccccc1C(=O)Nc1nc(-c2nnn(-c3cccc(C(F)(F)F)c3)c2C)ns1 ZINC000020986699 195260860 /nfs/dbraw/zinc/26/08/60/195260860.db2.gz XLZLMGRIVAUAKL-UHFFFAOYSA-N 0 0 460.441 4.374 50 0 JIAARN COc1ccc(C)cc1NC(=O)N1CCN(c2nnc(C)c3c(C)n(-c4ccc(C)cc4)nc32)CC1 ZINC000020987704 195261227 /nfs/dbraw/zinc/26/12/27/195261227.db2.gz VKTJZOVVGSJVIZ-UHFFFAOYSA-N 0 0 485.592 4.412 50 0 JIAARN CSc1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc32)c1 ZINC000020995067 195263681 /nfs/dbraw/zinc/26/36/81/195263681.db2.gz CAHLULAZEYDILR-JOCHJYFZSA-N 0 0 477.611 4.485 50 0 JIAARN Cc1ccc2c(CC(=O)NCCN3Cc4ccccc4O[C@H](c4ccsc4)C3)cc(=O)oc2c1 ZINC000020997608 195264849 /nfs/dbraw/zinc/26/48/49/195264849.db2.gz QDBLRZUWHYXRDQ-VWLOTQADSA-N 0 0 474.582 4.458 50 0 JIAARN CNC(=O)c1ccc(-c2nc(CN3CCN(C(=O)Nc4cccc(Cl)c4)CC3)c(C)o2)cc1 ZINC000021020340 195267531 /nfs/dbraw/zinc/26/75/31/195267531.db2.gz YHKRYZUITQTARV-UHFFFAOYSA-N 0 0 467.957 4.013 50 0 JIAARN Fc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3cccc(Br)c3)C4)CC2)cc1 ZINC000021039797 195270584 /nfs/dbraw/zinc/27/05/84/195270584.db2.gz MZDUOZQTWFUHID-UHFFFAOYSA-N 0 0 482.401 4.263 50 0 JIAARN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)Nc1ccc(Br)cc1F ZINC000021030646 195269734 /nfs/dbraw/zinc/26/97/34/195269734.db2.gz DIXOAFMWEILUEW-UHFFFAOYSA-N 0 0 485.306 4.150 50 0 JIAARN COc1ccc(S(=O)(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc1OC ZINC000021038166 195270368 /nfs/dbraw/zinc/27/03/68/195270368.db2.gz QNWRJYBAYAILLI-OAQYLSRUSA-N 0 0 485.949 4.475 50 0 JIAARN Cc1ccc(-c2onc3ccc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc32)cc1 ZINC000021089537 195274482 /nfs/dbraw/zinc/27/44/82/195274482.db2.gz BVRSRUMJGZYTFI-UHFFFAOYSA-N 0 0 455.514 4.490 50 0 JIAARN O=C(CN1C(=O)CCc2cc(Br)ccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000021090204 195274503 /nfs/dbraw/zinc/27/45/03/195274503.db2.gz MGGZIDNWGQIUAM-UHFFFAOYSA-N 0 0 496.327 4.096 50 0 JIAARN O=C(Nc1ccccc1OCc1cc(=O)n2ccccc2n1)c1ccccc1Br ZINC000021099404 195275896 /nfs/dbraw/zinc/27/58/96/195275896.db2.gz VLARJVAHKPVAES-UHFFFAOYSA-N 0 0 450.292 4.288 50 0 JIAARN CCCCOc1ccc(CNC(=O)C[S@@](=O)Cc2cnn(-c3ccccc3)c2-n2cccc2)cc1 ZINC000021110005 195277670 /nfs/dbraw/zinc/27/76/70/195277670.db2.gz JFSHSBOZSKADQB-PGUFJCEWSA-N 0 0 490.629 4.407 50 0 JIAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000021117385 195279010 /nfs/dbraw/zinc/27/90/10/195279010.db2.gz PBHQFJWDWKJPPH-UHFFFAOYSA-N 0 0 457.499 4.352 50 0 JIAARN O=C(Nc1ccccc1C(=O)OCc1cc(=O)n2ccsc2n1)c1ccccc1Br ZINC000021121195 195279664 /nfs/dbraw/zinc/27/96/64/195279664.db2.gz UWDNDWCRNXFBFU-UHFFFAOYSA-N 0 0 484.331 4.128 50 0 JIAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3ccc(C)nc32)cc1Cl ZINC000021151374 195282775 /nfs/dbraw/zinc/28/27/75/195282775.db2.gz JXIQWUZMBZMANE-UHFFFAOYSA-N 0 0 461.905 4.237 50 0 JIAARN CCc1cccc(NC(=O)Cn2cc(C(=O)c3ccccc3OC)c(=O)c3ccc(C)nc32)c1 ZINC000021151534 195282948 /nfs/dbraw/zinc/28/29/48/195282948.db2.gz DZEYURLXMALTPS-UHFFFAOYSA-N 0 0 455.514 4.146 50 0 JIAARN COc1ccc(S(=O)(=O)NCCCn2c(-c3ccc(C)cc3)nc3cccnc32)cc1Cl ZINC000021155462 195284548 /nfs/dbraw/zinc/28/45/48/195284548.db2.gz XTECCOGDYTXECE-UHFFFAOYSA-N 0 0 470.982 4.437 50 0 JIAARN CCOc1ccc(S(=O)(=O)NCCCn2c3ncccc3nc2-c2ccc(C)cc2)cc1 ZINC000021155544 195284565 /nfs/dbraw/zinc/28/45/65/195284565.db2.gz IGOUKUJZYJRJDR-UHFFFAOYSA-N 0 0 450.564 4.174 50 0 JIAARN CCC(=O)Nc1ccc(S(=O)(=O)NCCCn2c3ncccc3nc2-c2ccc(C)cc2)cc1 ZINC000021155525 195284580 /nfs/dbraw/zinc/28/45/80/195284580.db2.gz YGFPSJMGBUOJAD-UHFFFAOYSA-N 0 0 477.590 4.124 50 0 JIAARN CN(CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2)Cc1ccccc1 ZINC000021166810 195288810 /nfs/dbraw/zinc/28/88/10/195288810.db2.gz NWTYSEGZTJYVKQ-UHFFFAOYSA-N 0 0 461.008 4.218 50 0 JIAARN COc1cc(C[NH2+]Cc2c(C)n(Cc3ccccc3F)c(C)c2C(=O)[O-])cc(OC)c1OC ZINC000021164789 195288871 /nfs/dbraw/zinc/28/88/71/195288871.db2.gz IUMJJVTUTVVODQ-UHFFFAOYSA-N 0 0 456.514 4.306 50 0 JIAARN COc1cc(OC)c([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1OC ZINC000021177390 195290560 /nfs/dbraw/zinc/29/05/60/195290560.db2.gz AFFJOAGLLVEKOC-AWEZNQCLSA-N 0 0 450.520 4.290 50 0 JIAARN Cc1noc(C)c1CSc1ccccc1C(=O)O[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000021194387 195291142 /nfs/dbraw/zinc/29/11/42/195291142.db2.gz FJHSZSOKSWLGLZ-INIZCTEOSA-N 0 0 459.568 4.288 50 0 JIAARN CCOc1ccc(OCc2nnc(SCCN3CCOCC3)n2-c2ccc(Cl)cc2)cc1 ZINC000021225177 195291526 /nfs/dbraw/zinc/29/15/26/195291526.db2.gz KFVLGQAOXWCUIJ-UHFFFAOYSA-N 0 0 475.014 4.323 50 0 JIAARN O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000021283100 195293081 /nfs/dbraw/zinc/29/30/81/195293081.db2.gz LDQIJKQUBAEAEM-UHFFFAOYSA-N 0 0 450.491 4.041 50 0 JIAARN Cc1ccc(CN2c3ccc(Br)cc3[C@@](O)(CC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000021344036 195295696 /nfs/dbraw/zinc/29/56/96/195295696.db2.gz RJWAPLZQOHMKPF-VWLOTQADSA-N 0 0 494.341 4.494 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(C)cc2C)c2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000021350646 195296286 /nfs/dbraw/zinc/29/62/86/195296286.db2.gz OKBBUZIDQCUFNS-XMMPIXPASA-N 0 0 459.550 4.089 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ncnn2[C@H]1c1ccc(C)cc1 ZINC000021350574 195296330 /nfs/dbraw/zinc/29/63/30/195296330.db2.gz RTMIAUWYNYBFRZ-QFIPXVFZSA-N 0 0 499.493 4.491 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2cccc(Cl)c2C)c2ncnn2[C@@H]1c1ccc(F)cc1 ZINC000021351304 195296574 /nfs/dbraw/zinc/29/65/74/195296574.db2.gz AZZCMHYNAUHBGV-JOCHJYFZSA-N 0 0 483.931 4.264 50 0 JIAARN O=C(CCc1nc(CSc2nnc(-c3ccncc3)o2)no1)Nc1cccc(Br)c1 ZINC000021355697 195297632 /nfs/dbraw/zinc/29/76/32/195297632.db2.gz QGXGLNBKLUVJNN-UHFFFAOYSA-N 0 0 487.339 4.141 50 0 JIAARN COc1cccc(CNC(=O)Nc2cccc(-c3nnc(Cc4ccc5c(c4)OCO5)o3)c2)c1 ZINC000021358951 195298431 /nfs/dbraw/zinc/29/84/31/195298431.db2.gz RXRVWGMUCAFRNF-UHFFFAOYSA-N 0 0 458.474 4.386 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(-c3nnc(Cc4ccc5c(c4)OCO5)o3)c2)c1 ZINC000021358843 195298433 /nfs/dbraw/zinc/29/84/33/195298433.db2.gz XLFVDTZQCPDRFL-UHFFFAOYSA-N 0 0 463.515 4.474 50 0 JIAARN CSc1cccc(NC(=O)CSc2nccnc2N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000021363723 195299536 /nfs/dbraw/zinc/29/95/36/195299536.db2.gz IDFYRABOTQGQFF-UHFFFAOYSA-N 0 0 469.611 4.395 50 0 JIAARN O=C(Cc1ccc(-n2c3ncccc3nc2-c2ccccc2)cc1)N1CCN(c2ccccn2)CC1 ZINC000021530174 195308662 /nfs/dbraw/zinc/30/86/62/195308662.db2.gz ORXOKPAMEUZQII-UHFFFAOYSA-N 0 0 474.568 4.374 50 0 JIAARN COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCc2cccc(F)c2)cc1 ZINC000021531159 195309407 /nfs/dbraw/zinc/30/94/07/195309407.db2.gz YLIPBELJZHWBDX-VWLOTQADSA-N 0 0 457.505 4.188 50 0 JIAARN C[C@@H](NC(=O)c1ccc(NC(=O)N2CCSc3ncccc32)cc1)c1ccc2c(c1)OCCO2 ZINC000021531191 195309434 /nfs/dbraw/zinc/30/94/34/195309434.db2.gz VMFIPFGUCSVWFD-MRXNPFEDSA-N 0 0 476.558 4.488 50 0 JIAARN Cc1ccc(NC(=O)COc2ccccc2Cl)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1 ZINC000021797153 195322454 /nfs/dbraw/zinc/32/24/54/195322454.db2.gz NWFWSTVMPPAHKI-UHFFFAOYSA-N 0 0 481.940 4.030 50 0 JIAARN CCCn1cnc2nc(CSc3ccccc3NC(=O)COc3ccc(C)c(C)c3)cc(=O)n21 ZINC000021797346 195322907 /nfs/dbraw/zinc/32/29/07/195322907.db2.gz DCKWJMXLNQWKBL-UHFFFAOYSA-N 0 0 477.590 4.228 50 0 JIAARN CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000058342206 195378201 /nfs/dbraw/zinc/37/82/01/195378201.db2.gz YJERGXFPCLBVEJ-ZWKOTPCHSA-N 0 0 454.596 4.110 50 0 JIAARN CCSc1nn(CC(=O)Nc2cccc(Cl)c2)c(N)c1S(=O)(=O)c1ccc(C)cc1 ZINC000021911044 195329165 /nfs/dbraw/zinc/32/91/65/195329165.db2.gz VNNGZDUYJNBDRF-UHFFFAOYSA-N 0 0 465.000 4.011 50 0 JIAARN CCOCCCNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1Cc1ccc(C)cc1 ZINC000021911488 195329846 /nfs/dbraw/zinc/32/98/46/195329846.db2.gz QNOJNCZFQYKGLS-XMMPIXPASA-N 0 0 465.619 4.205 50 0 JIAARN CC1=C(c2ccc(C)cc2)S(=O)(=O)N(Cc2ccc(C(=O)NCCc3ccccc3)cc2)C1=O ZINC000021913235 195331055 /nfs/dbraw/zinc/33/10/55/195331055.db2.gz KGRVSFIPTKYSDS-UHFFFAOYSA-N 0 0 474.582 4.071 50 0 JIAARN C=C1C(N2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000021913638 195331300 /nfs/dbraw/zinc/33/13/00/195331300.db2.gz DVPHEDGEZZEXBR-DEOSSOPVSA-N 0 0 493.629 4.074 50 0 JIAARN O=C(c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)N1CCN(c2ccccc2)CC1 ZINC000021915038 195331585 /nfs/dbraw/zinc/33/15/85/195331585.db2.gz MYXHPXWXJHWQGU-UHFFFAOYSA-N 0 0 454.574 4.486 50 0 JIAARN CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3cc(OC)cc(OC)c3)N2C1=O ZINC000021936595 195336625 /nfs/dbraw/zinc/33/66/25/195336625.db2.gz LTVQNKBNTVSKPZ-VFCRVFHLSA-N 0 0 480.590 4.469 50 0 JIAARN Cc1ccccc1-c1noc([C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)n1 ZINC000021939954 195338640 /nfs/dbraw/zinc/33/86/40/195338640.db2.gz YBDQOGAWTLKAMP-HNNXBMFYSA-N 0 0 462.369 4.376 50 0 JIAARN COc1cccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(C(C)C)cc4)C3)n2)c1OC ZINC000021940121 195338950 /nfs/dbraw/zinc/33/89/50/195338950.db2.gz JQRWLPXIKJGMBX-SFHVURJKSA-N 0 0 471.579 4.446 50 0 JIAARN Cc1ccccc1NC(=O)CN1c2cc(S(=O)(=O)N3CCCCC3)ccc2S[C@@H](C)CC1=O ZINC000021941104 195339128 /nfs/dbraw/zinc/33/91/28/195339128.db2.gz CFYCSNGQVRLMKO-SFHVURJKSA-N 0 0 487.647 4.026 50 0 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/nfs/dbraw/zinc/34/27/89/195342789.db2.gz AMUQMEGTJRPREM-UHFFFAOYSA-N 0 0 468.340 4.465 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2)cc1 ZINC000057487457 195344982 /nfs/dbraw/zinc/34/49/82/195344982.db2.gz ODBKXFOLYDHKJZ-UHFFFAOYSA-N 0 0 465.556 4.273 50 0 JIAARN COc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2F)cc1 ZINC000057487557 195345201 /nfs/dbraw/zinc/34/52/01/195345201.db2.gz IAKXGSGLWSYWEK-UHFFFAOYSA-N 0 0 455.536 4.003 50 0 JIAARN Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(F)cc(F)c2)cc1 ZINC000057489265 195346471 /nfs/dbraw/zinc/34/64/71/195346471.db2.gz PBNKPNKATLXOIX-UHFFFAOYSA-N 0 0 457.527 4.442 50 0 JIAARN Cc1cc(C)c(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(Cl)c3)c2=O)c(C)c1 ZINC000057491476 195347418 /nfs/dbraw/zinc/34/74/18/195347418.db2.gz ATMUEQVCNQTYHE-UHFFFAOYSA-N 0 0 453.951 4.431 50 0 JIAARN Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)c(Cl)c3)c2=O)c1 ZINC000057492456 195347562 /nfs/dbraw/zinc/34/75/62/195347562.db2.gz BSVGITWVEIFHDH-UHFFFAOYSA-N 0 0 453.951 4.431 50 0 JIAARN Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cccc(Cl)c2C)c1=O ZINC000057493495 195347919 /nfs/dbraw/zinc/34/79/19/195347919.db2.gz UWINIDYWJIAMRB-UHFFFAOYSA-N 0 0 457.914 4.262 50 0 JIAARN CSc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)c(C)c3)c2=O)c1 ZINC000057494480 195348413 /nfs/dbraw/zinc/34/84/13/195348413.db2.gz UWVVTTHEHUNKSQ-UHFFFAOYSA-N 0 0 455.536 4.022 50 0 JIAARN Cc1cccc(-c2noc(-c3cccn4c3nn(CC(=O)Nc3ccccc3C(C)C)c4=O)n2)c1 ZINC000057503193 195348573 /nfs/dbraw/zinc/34/85/73/195348573.db2.gz ILPLTPQFNYCOFS-UHFFFAOYSA-N 0 0 468.517 4.284 50 0 JIAARN Cc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2C)c(Nc2ccc(F)c(C)c2)n1 ZINC000057507840 195349475 /nfs/dbraw/zinc/34/94/75/195349475.db2.gz RNNRCMYMZGQUGC-UHFFFAOYSA-N 0 0 459.319 4.452 50 0 JIAARN Cc1ccc(-c2cc(C(=O)N[C@@H](C)C(=O)NCc3ccco3)c3cnn(C(C)C)c3n2)s1 ZINC000057994035 195361344 /nfs/dbraw/zinc/36/13/44/195361344.db2.gz VAXIAYBIZJNYIF-HNNXBMFYSA-N 0 0 451.552 4.077 50 0 JIAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)NCCC(=O)N1CCCC1 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CEXLBYKYDQLHAV-UHFFFAOYSA-N 0 0 463.603 4.144 50 0 JIAARN Cc1noc(/C=C/c2ccccc2)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(C)cc2)C1 ZINC000021540721 195313601 /nfs/dbraw/zinc/31/36/01/195313601.db2.gz UTNFTPGJBKMTIM-WOOPDLCSSA-N 0 0 479.602 4.179 50 0 JIAARN CCOC(=O)C1=C(COC(=O)c2ccc(-c3ccccc3)cc2)NC(=O)N[C@H]1c1ccccc1 ZINC000021548950 195314766 /nfs/dbraw/zinc/31/47/66/195314766.db2.gz PGHTWAFAXBRGRK-DEOSSOPVSA-N 0 0 456.498 4.382 50 0 JIAARN C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000021548958 195314843 /nfs/dbraw/zinc/31/48/43/195314843.db2.gz WZOOLCKVMLNAGP-HXUWFJFHSA-N 0 0 473.602 4.352 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H](C(=O)NCC4CCCCC4)C3)cc2)cc1 ZINC000021706945 195319993 /nfs/dbraw/zinc/31/99/93/195319993.db2.gz YKILBKJRQWKTNA-HSZRJFAPSA-N 0 0 497.661 4.345 50 0 JIAARN CC(=O)Nc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n2)cc1 ZINC000021728003 195320729 /nfs/dbraw/zinc/32/07/29/195320729.db2.gz AHMVCDCIHOYHFY-UHFFFAOYSA-N 0 0 468.513 4.051 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Cc1ccc(Cl)cc1N1CCN(CCNC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000063513803 195431654 /nfs/dbraw/zinc/43/16/54/195431654.db2.gz ZURAXUDJFAFOPP-UHFFFAOYSA-N 0 0 489.023 4.177 50 0 JIAARN Cc1c(-c2nc(-c3ccc(C)cc3)no2)sc2ncn(CC(=O)Nc3ccccc3)c(=O)c12 ZINC000064439134 195435063 /nfs/dbraw/zinc/43/50/63/195435063.db2.gz CEPIQYRWRLWCKR-UHFFFAOYSA-N 0 0 457.515 4.431 50 0 JIAARN Cc1ccc(-n2nc(C(F)(F)F)c3cc(C(=O)NCCNC(=O)NC(C)(C)C)sc32)cc1 ZINC000095541115 129903565 /nfs/dbraw/zinc/90/35/65/129903565.db2.gz ZGCZTACZGBYFMU-UHFFFAOYSA-N 0 0 467.517 4.242 50 0 JIAARN Cc1ccc(-c2cc3c4nnc(CCC(=O)NCc5cc(F)cc(F)c5)n4ccn3n2)cc1C ZINC000095545074 129906788 /nfs/dbraw/zinc/90/67/88/129906788.db2.gz YHJOIEQBWJYOGF-UHFFFAOYSA-N 0 0 460.488 4.188 50 0 JIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OC)c(O)c2)cc1 ZINC000096114054 129961761 /nfs/dbraw/zinc/96/17/61/129961761.db2.gz DRRVYJQATQILMF-QPPBQGQZSA-N 0 0 459.454 4.047 50 0 biogenic JIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2sc(N(C)C)nc2C)cc1 ZINC000096114683 129964942 /nfs/dbraw/zinc/96/49/42/129964942.db2.gz CMGYQOBDKOXIET-RXVVDRJESA-N 0 0 477.542 4.164 50 0 biogenic JIAARN COc1cc(-c2noc(CCN(C(=O)CCc3ccccc3)C(C)C)n2)cc(OC)c1OC ZINC000096276062 130013242 /nfs/dbraw/zinc/01/32/42/130013242.db2.gz RCIYKTLPZOIDPJ-UHFFFAOYSA-N 0 0 453.539 4.175 50 0 JIAARN COc1cc(-c2noc([C@H](C)NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC ZINC000096277996 130019234 /nfs/dbraw/zinc/01/92/34/130019234.db2.gz MOFDUKPELGRYPO-NSHDSACASA-N 0 0 451.401 4.272 50 0 JIAARN CCS(=O)(=O)c1ccc2oc(-c3cccc(C)c3OS(=O)(=O)c3ccccc3OC)nc2c1 ZINC000096279293 130022690 /nfs/dbraw/zinc/02/26/90/130022690.db2.gz DOJYCJOIWHQHEK-UHFFFAOYSA-N 0 0 487.555 4.373 50 0 JIAARN COCCN(Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)CC(C)C ZINC000096287025 130029989 /nfs/dbraw/zinc/02/99/89/130029989.db2.gz XCMMAEPZGCPDID-UHFFFAOYSA-N 0 0 473.513 4.494 50 0 JIAARN COCC(=O)N(Cc1ccc(OC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)CC(C)C ZINC000096290847 130041203 /nfs/dbraw/zinc/04/12/03/130041203.db2.gz MHMGTFYKLUXFPH-UHFFFAOYSA-N 0 0 489.512 4.113 50 0 JIAARN COc1ccc([C@@H](CN2CCOCC2)NC(=O)/C=C\c2ccccc2OCc2csc(C)n2)cc1 ZINC000096311073 130058380 /nfs/dbraw/zinc/05/83/80/130058380.db2.gz NYYYAXNKXPSVBE-CNPINADKSA-N 0 0 493.629 4.242 50 0 JIAARN O=c1[nH]c2cc(-c3nc(-c4cccc(Br)c4)no3)ccc2c(=O)n1Cc1ccc(F)cc1 ZINC000096320214 130064619 /nfs/dbraw/zinc/06/46/19/130064619.db2.gz SPUUZMMHLNKTPR-UHFFFAOYSA-N 0 0 493.292 4.357 50 0 JIAARN Cc1cc(C)cc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000096322602 130066129 /nfs/dbraw/zinc/06/61/29/130066129.db2.gz CGAMNAGSUSLASP-UHFFFAOYSA-N 0 0 473.595 4.267 50 0 JIAARN Cc1cc(-c2ccccc2)c2c(n1)sc1c2ncn(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O ZINC000096325010 130071034 /nfs/dbraw/zinc/07/10/34/130071034.db2.gz KENPXPUBCCIMIF-UHFFFAOYSA-N 0 0 484.537 4.392 50 0 JIAARN COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000096335791 130071905 /nfs/dbraw/zinc/07/19/05/130071905.db2.gz JRHUNPABBLSEHD-IFMALSPDSA-N 0 0 456.878 4.255 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)c2cc3c(nc4ccccn4c3=O)n2Cc2ccccc2)cc1 ZINC000096347463 130074583 /nfs/dbraw/zinc/07/45/83/130074583.db2.gz ORBFUXUDXVOYBG-UHFFFAOYSA-N 0 0 466.497 4.127 50 0 JIAARN COc1ccc(OC)c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)/C=C\c2ccccc2)c1 ZINC000096513920 130113442 /nfs/dbraw/zinc/11/34/42/130113442.db2.gz SPEDXEDKWKLKBQ-NXVVXOECSA-N 0 0 466.559 4.145 50 0 JIAARN CCCOc1ccc(CN(CCC)C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1OCC ZINC000102844161 130321153 /nfs/dbraw/zinc/32/11/53/130321153.db2.gz VDUZLLZCURSZAE-SFTDATJTSA-N 0 0 458.599 4.178 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000009666511 518188951 /nfs/dbraw/zinc/18/89/51/518188951.db2.gz RYFGJNDHDTUQRT-UHFFFAOYSA-N 0 0 498.988 4.191 50 0 JIAARN CC(=O)c1ccc(C(=O)N2CC(=O)N(CCc3ccccc3)C[C@@H](OCc3cccc(F)c3)C2)s1 ZINC000014755859 518303865 /nfs/dbraw/zinc/30/38/65/518303865.db2.gz FTOLGTPIJJZSBT-HSZRJFAPSA-N 0 0 494.588 4.202 50 0 JIAARN CC(=O)c1ccc(N(CC(=O)Nc2cc(F)ccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003357126 518343508 /nfs/dbraw/zinc/34/35/08/518343508.db2.gz QVQPNWGPIUNBNQ-UHFFFAOYSA-N 0 0 458.486 4.310 50 0 JIAARN CC(=O)c1ccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3CCC(C)C)cc1 ZINC000045970087 518364586 /nfs/dbraw/zinc/36/45/86/518364586.db2.gz LGZJHTUOYVMXEA-UHFFFAOYSA-N 0 0 469.592 4.085 50 0 JIAARN CC(=O)c1ccc(NC(=O)Cn2nc3c(Sc4ccccc4)nc4ccccc4n3c2=O)cc1 ZINC000033022312 518366470 /nfs/dbraw/zinc/36/64/70/518366470.db2.gz GCSOVJHJVLIKQK-UHFFFAOYSA-N 0 0 469.526 4.037 50 0 JIAARN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)c1 ZINC000014200029 518460766 /nfs/dbraw/zinc/46/07/66/518460766.db2.gz QHCDZGZTRFWQPM-UHFFFAOYSA-N 0 0 497.642 4.126 50 0 JIAARN CC(C)(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(CCCc1ccccc1)C2=O ZINC000021852019 519007074 /nfs/dbraw/zinc/00/70/74/519007074.db2.gz YHFSWEBKRPCHOQ-HHHXNRCGSA-N 0 0 450.627 4.477 50 0 JIAARN CC(C)(C)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1)N(c1ccc(F)cc1F)C2=O ZINC000021862580 519007508 /nfs/dbraw/zinc/00/75/08/519007508.db2.gz AZJCLIHPSXWRHZ-RUZDIDTESA-N 0 0 452.505 4.194 50 0 JIAARN CC(C)(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCC1)N(Cc1ccc3c(c1)OCO3)C2=O ZINC000021852767 519007827 /nfs/dbraw/zinc/00/78/27/519007827.db2.gz IYKHSDYAVAZVEW-HHHXNRCGSA-N 0 0 480.609 4.163 50 0 JIAARN CC(C)(C)c1ccc(-c2ccnc3nc(N4CCN(C(=O)CCc5ccccc5)CC4)nn32)cc1 ZINC000023460205 519008499 /nfs/dbraw/zinc/00/84/99/519008499.db2.gz RJRZJQVOMLWPPU-UHFFFAOYSA-N 0 0 468.605 4.370 50 0 JIAARN CC(C)(C)c1ccc(CN(C(=O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008869954 519027473 /nfs/dbraw/zinc/02/74/73/519027473.db2.gz TVNSVULADABKMK-HXUWFJFHSA-N 0 0 450.000 4.232 50 0 JIAARN CC(C)(C)c1ccc(OCC(=O)Nc2cc(-c3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000041024892 519040901 /nfs/dbraw/zinc/04/09/01/519040901.db2.gz YKMGNYOTRHNSMI-FQEVSTJZSA-N 0 0 467.591 4.225 50 0 JIAARN CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)Nc1ccc3c(c1)OCO3)O2 ZINC000064985567 519054455 /nfs/dbraw/zinc/05/44/55/519054455.db2.gz FFSPOMPWJCYMDL-XMMPIXPASA-N 0 0 494.569 4.308 50 0 JIAARN CC(C)Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc32)cc1 ZINC000033249346 519443197 /nfs/dbraw/zinc/44/31/97/519443197.db2.gz GTIPJHZOSSBJAF-UHFFFAOYSA-N 0 0 472.994 4.392 50 0 JIAARN CC(C)C(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)CC1CC1 ZINC000036094122 519451539 /nfs/dbraw/zinc/45/15/39/519451539.db2.gz AWAVQPMWZXPTEW-UHFFFAOYSA-N 0 0 497.643 4.354 50 0 JIAARN CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C[C@H]1CCCO1 ZINC000036120562 519451626 /nfs/dbraw/zinc/45/16/26/519451626.db2.gz KZAXPPWULCJNBY-WIYYLYMNSA-N 0 0 474.598 4.056 50 0 JIAARN CC(C)C(=O)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000037423823 519453392 /nfs/dbraw/zinc/45/33/92/519453392.db2.gz GUTXFMXDIYWBNS-IBGZPJMESA-N 0 0 469.962 4.410 50 0 JIAARN CC(=O)N(Cc1ccccc1)c1nc2ccccc2n([C@H](C)C(=O)Nc2ccc(F)cc2)c1=O ZINC000064987717 519470886 /nfs/dbraw/zinc/47/08/86/519470886.db2.gz VOZZTYKGFWJEPF-QGZVFWFLSA-N 0 0 458.493 4.288 50 0 JIAARN CC(=O)N(c1nc(COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cs1)c1cccc(C)c1 ZINC000009788059 519479717 /nfs/dbraw/zinc/47/97/17/519479717.db2.gz IUGAPMNPYPWWMI-UHFFFAOYSA-N 0 0 480.514 4.489 50 0 JIAARN CC(C)Cn1c(CNC(=O)c2cccc(N3CCCC3=O)c2)nnc1SCCc1ccccc1 ZINC000012198787 519485159 /nfs/dbraw/zinc/48/51/59/519485159.db2.gz QOJKTNYUZVFGPM-UHFFFAOYSA-N 0 0 477.634 4.326 50 0 JIAARN CC(C)Cn1c(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)nnc1-c1ccco1 ZINC000008728016 519486753 /nfs/dbraw/zinc/48/67/53/519486753.db2.gz JQHOAKSRCIVVHJ-UHFFFAOYSA-N 0 0 461.975 4.037 50 0 JIAARN CC(C)Cn1cc(C(=O)NCc2ccccc2C(F)(F)F)c(=O)c(C(=O)N2CCCCCC2)c1 ZINC000012279773 519497403 /nfs/dbraw/zinc/49/74/03/519497403.db2.gz LOQRXAKNKCKSLS-UHFFFAOYSA-N 0 0 477.527 4.469 50 0 JIAARN CC(C)C(=O)Nc1cccc(C(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1 ZINC000015772105 519526388 /nfs/dbraw/zinc/52/63/88/519526388.db2.gz LVASLMOLSHMRBM-UHFFFAOYSA-N 0 0 454.552 4.150 50 0 JIAARN CC(C)C(=O)Nc1cn(-c2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2)cn1 ZINC000033140768 519530541 /nfs/dbraw/zinc/53/05/41/519530541.db2.gz CKANECFSOOPFPZ-UHFFFAOYSA-N 0 0 451.958 4.083 50 0 JIAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)ccc21 ZINC000033077385 519564016 /nfs/dbraw/zinc/56/40/16/519564016.db2.gz BAIBPJFYSARHQD-UHFFFAOYSA-N 0 0 483.634 4.149 50 0 JIAARN CC(=O)N1CCN(C(=O)Cc2ccc(N(Cc3ccccc3)C(=O)c3ccc(C)cc3)cc2)CC1 ZINC000037279473 519573318 /nfs/dbraw/zinc/57/33/18/519573318.db2.gz GGPIAXJPVHMCFN-UHFFFAOYSA-N 0 0 469.585 4.075 50 0 JIAARN CC(=O)N1CCc2c(sc3nc(SCc4cccc(F)c4)n(Cc4ccco4)c(=O)c32)C1 ZINC000020132269 519629708 /nfs/dbraw/zinc/62/97/08/519629708.db2.gz KNGVMTQUXZZCGK-UHFFFAOYSA-N 0 0 469.563 4.435 50 0 JIAARN CC(=O)N1CCc2c(sc3nc(SCc4cc(C)ccc4C)n(C[C@H]4CCCO4)c(=O)c23)C1 ZINC000020132233 519630043 /nfs/dbraw/zinc/63/00/43/519630043.db2.gz UXYKDLCEHPIYGH-LJQANCHMSA-N 0 0 483.659 4.451 50 0 JIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc(Br)ccc2OCCCOc2ccccc2)S1 ZINC000020896225 519643209 /nfs/dbraw/zinc/64/32/09/519643209.db2.gz HGIJMZALQKLQAH-HXUWFJFHSA-N 0 0 492.395 4.298 50 0 JIAARN CC(C)CCN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000036069378 519651423 /nfs/dbraw/zinc/65/14/23/519651423.db2.gz CTNGNLLSLFTGDD-UHFFFAOYSA-N 0 0 489.595 4.120 50 0 JIAARN CC(C)CCNC(=O)[C@@H]1CCCN(c2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)C1 ZINC000033302738 519659357 /nfs/dbraw/zinc/65/93/57/519659357.db2.gz KTOKMZDEHGYLNC-GOSISDBHSA-N 0 0 456.587 4.024 50 0 JIAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000033170601 519702299 /nfs/dbraw/zinc/70/22/99/519702299.db2.gz KZAOQYJJLWZHJP-KHPPLWFESA-N 0 0 498.580 4.070 50 0 JIAARN CC(=O)Nc1c2ccccc2n2c1C(=O)N(Cc1ccc(F)cc1)[C@@](C)(C(=O)NC1CCCC1)C2 ZINC000021866865 519702826 /nfs/dbraw/zinc/70/28/26/519702826.db2.gz IIJGQMOJWONCLJ-HHHXNRCGSA-N 0 0 476.552 4.212 50 0 JIAARN CC(=O)Nc1c2ccccc2n2c1C(=O)N(Cc1ccc(F)cc1)[C@](C)(C(=O)NCCC(C)C)C2 ZINC000021866989 519702967 /nfs/dbraw/zinc/70/29/67/519702967.db2.gz FULHRSRAQYCMCL-MHZLTWQESA-N 0 0 478.568 4.316 50 0 JIAARN CC(=O)Nc1c2ccccc2n2c1C(=O)N(Cc1ccccc1F)[C@@](C)(C(=O)NC1CCCC1)C2 ZINC000021866894 519702969 /nfs/dbraw/zinc/70/29/69/519702969.db2.gz SDPWZMLVCMSGIN-HHHXNRCGSA-N 0 0 476.552 4.212 50 0 JIAARN CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NCc2ccc(C(F)(F)F)cc2F)c1=O ZINC000012279078 519708617 /nfs/dbraw/zinc/70/86/17/519708617.db2.gz KIEJIGRDHZSBJK-UHFFFAOYSA-N 0 0 469.479 4.245 50 0 JIAARN CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)COc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000035537385 519708835 /nfs/dbraw/zinc/70/88/35/519708835.db2.gz WYDDPPMWQHFLIY-UHFFFAOYSA-N 0 0 454.914 4.133 50 0 JIAARN CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C1 ZINC000021706566 519714279 /nfs/dbraw/zinc/71/42/79/519714279.db2.gz KXQMEAUHWMHIBI-HXUWFJFHSA-N 0 0 485.650 4.162 50 0 JIAARN 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COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccnc3Cl)ccc2N2CCCC2)cc1 ZINC000005941013 524688276 /nfs/dbraw/zinc/68/82/76/524688276.db2.gz WUDIJYNDIQUQAP-UHFFFAOYSA-N 0 0 486.981 4.397 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](NC(=O)c3ccccc3F)C(C)C)cc2)cc1 ZINC000005493836 524693177 /nfs/dbraw/zinc/69/31/77/524693177.db2.gz QLVXWZFGOIEKMY-HSZRJFAPSA-N 0 0 499.564 4.028 50 0 JIAARN COc1ccccc1Oc1c(CCC(=O)NC[C@@H]2CCCO2)c(C)nn1-c1ccc(F)cc1 ZINC000037547151 524694142 /nfs/dbraw/zinc/69/41/42/524694142.db2.gz WSCFIRHXPUWPOZ-FQEVSTJZSA-N 0 0 453.514 4.349 50 0 JIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)CC1 ZINC000021882450 524730776 /nfs/dbraw/zinc/73/07/76/524730776.db2.gz AANDSCNTDYQECM-HNNXBMFYSA-N 0 0 485.053 4.353 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)CSc2ccc(C(=O)N3CCCCC3)cc21 ZINC000045960615 524743247 /nfs/dbraw/zinc/74/32/47/524743247.db2.gz CDMPZUKUTKIJQM-UHFFFAOYSA-N 0 0 457.983 4.352 50 0 JIAARN COc1ccccc1[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000036055115 524762281 /nfs/dbraw/zinc/76/22/81/524762281.db2.gz QBPOCXMWDZDTGB-FCHUYYIVSA-N 0 0 492.959 4.250 50 0 JIAARN Cc1ccc(Cn2c(=O)c(C(=O)Nc3ccc(F)cc3)nn(-c3ccc(C(C)C)cc3)c2=O)cc1 ZINC000036087865 524762841 /nfs/dbraw/zinc/76/28/41/524762841.db2.gz GKLFQTKKSGUUOM-UHFFFAOYSA-N 0 0 472.520 4.266 50 0 JIAARN Cc1ccc(Cn2c(=O)c3sccc3nc2N2CCC(C(=O)NCc3ccccc3F)CC2)cc1 ZINC000033302459 524764504 /nfs/dbraw/zinc/76/45/04/524764504.db2.gz GNDPRDQNNPWXEW-UHFFFAOYSA-N 0 0 490.604 4.487 50 0 JIAARN Cc1ccc(Cn2c(=O)c3ccccc3nc2SCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000002626615 524764719 /nfs/dbraw/zinc/76/47/19/524764719.db2.gz VKWOQGVSITYQHG-UHFFFAOYSA-N 0 0 471.538 4.059 50 0 JIAARN Cc1ccc(Cn2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCCC(C)C)C2)cc1 ZINC000033302683 524765425 /nfs/dbraw/zinc/76/54/25/524765425.db2.gz NFEBYOUQVOYILW-FQEVSTJZSA-N 0 0 452.624 4.193 50 0 JIAARN Cc1ccc(Cn2c3cc(C(=O)NCc4ccco4)ccc3c(=O)n(-c3ccc(C)cc3)c2=O)cc1 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COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(F)cc4)CC(=O)N32)c1 ZINC000002157061 524920300 /nfs/dbraw/zinc/92/03/00/524920300.db2.gz LROAAUPURJQDKB-CUBQBAPOSA-N 0 0 499.542 4.209 50 0 biogenic JIAARN COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCC(C)C)C1=O ZINC000021856367 524922285 /nfs/dbraw/zinc/92/22/85/524922285.db2.gz WBKQICOOCGEQNL-SANMLTNESA-N 0 0 455.599 4.368 50 0 JIAARN COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCCC2)N(Cc2ccco2)C1=O ZINC000021856348 524922838 /nfs/dbraw/zinc/92/28/38/524922838.db2.gz UQTIIKMFETXIDP-SANMLTNESA-N 0 0 465.550 4.115 50 0 JIAARN COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C1=O ZINC000021857754 524923114 /nfs/dbraw/zinc/92/31/14/524923114.db2.gz FTSPGTBIWNYNEE-MHZLTWQESA-N 0 0 479.552 4.271 50 0 JIAARN COc1ccc(OC)c2c1cc1n2C[C@](C)(C(=O)NC2CCCC2)N(Cc2cccc(F)c2)C1=O ZINC000021857807 524923971 /nfs/dbraw/zinc/92/39/71/524923971.db2.gz PDSGPWIRPBMOQW-HHHXNRCGSA-N 0 0 479.552 4.271 50 0 JIAARN COc1ccc(OC)c2c1cc1n2C[C@](C)(C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C1=O ZINC000021857758 524924429 /nfs/dbraw/zinc/92/44/29/524924429.db2.gz FTSPGTBIWNYNEE-HHHXNRCGSA-N 0 0 479.552 4.271 50 0 JIAARN COc1ccc(OCC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)cc1 ZINC000046123513 524929047 /nfs/dbraw/zinc/92/90/47/524929047.db2.gz LADMFIPDBOVKBK-OAHLLOKOSA-N 0 0 486.981 4.237 50 0 JIAARN Cc1ccc(N2C(=S)N[C@@H](c3ccccc3OC(F)F)C(C(=O)N3CCOCC3)=C2C)cc1F ZINC000016503078 524932437 /nfs/dbraw/zinc/93/24/37/524932437.db2.gz UMBVNQMKZAJQBU-NRFANRHFSA-N 0 0 491.535 4.304 50 0 JIAARN C[C@H](NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000014185443 524949552 /nfs/dbraw/zinc/94/95/52/524949552.db2.gz GCGHYQLCSQDRRA-BVZFJXPGSA-N 0 0 466.541 4.175 50 0 JIAARN COc1ccc(OCc2nnc(C(=O)Nc3ccc(C(=O)N4CCC(C)CC4)cc3)s2)cc1OC ZINC000033031975 524977298 /nfs/dbraw/zinc/97/72/98/524977298.db2.gz HYCJAGAHKAXHIH-UHFFFAOYSA-N 0 0 496.589 4.259 50 0 JIAARN Cc1ccc(N2N=C(C(=O)OCc3ccc(C(=O)N4CCCC4)cc3)CCC2=O)cc1Cl ZINC000021731946 524986718 /nfs/dbraw/zinc/98/67/18/524986718.db2.gz BYLYCODUTJFNBT-UHFFFAOYSA-N 0 0 453.926 4.111 50 0 JIAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc5c(c4)ncn5CCC(=O)N4CCCC4)no3)CC2=O)cc1C ZINC000035459942 524987020 /nfs/dbraw/zinc/98/70/20/524987020.db2.gz OSOGNVIFYJJPLW-OAQYLSRUSA-N 0 0 498.587 4.236 50 0 JIAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000046006426 524987827 /nfs/dbraw/zinc/98/78/27/524987827.db2.gz FVGMQBGBRMQUCV-UHFFFAOYSA-N 0 0 484.604 4.031 50 0 JIAARN COc1ccc(Oc2cc3c(cc2S(=O)(=O)N2CCOCC2)C(=O)Nc2cc(C)ccc2O3)cc1 ZINC000064986749 524991458 /nfs/dbraw/zinc/99/14/58/524991458.db2.gz JXFINOFRTUOLQQ-UHFFFAOYSA-N 0 0 496.541 4.175 50 0 JIAARN COc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(OCc3nnc(-c4ccccc4)o3)c2)cc1 ZINC000033307208 524998537 /nfs/dbraw/zinc/99/85/37/524998537.db2.gz WLDKHWLCEHXMSA-UHFFFAOYSA-N 0 0 493.541 4.127 50 0 JIAARN Cc1ccccc1-c1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000033130335 525006442 /nfs/dbraw/zinc/00/64/42/525006442.db2.gz KLUSGWBZAQENFO-QFIPXVFZSA-N 0 0 450.560 4.372 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccc(C)cc2)cc1OC ZINC000002060859 525010127 /nfs/dbraw/zinc/01/01/27/525010127.db2.gz KQTZKPAAMPLIOL-UHFFFAOYSA-N 0 0 462.612 4.004 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000016963770 525019768 /nfs/dbraw/zinc/01/97/68/525019768.db2.gz DHNAXGZVEGDHPQ-VWLOTQADSA-N 0 0 496.654 4.332 50 0 JIAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1Cl ZINC000020510488 525036760 /nfs/dbraw/zinc/03/67/60/525036760.db2.gz QKIILVOYGAVQKI-UHFFFAOYSA-N 0 0 468.966 4.499 50 0 JIAARN Cc1ccc(NC(=O)CCc2nc(CSc3n[nH]c(-c4ccc(F)cc4)n3)no2)c(C)c1 ZINC000033270962 525040816 /nfs/dbraw/zinc/04/08/16/525040816.db2.gz DQDCLNIEOOOCNM-UHFFFAOYSA-N 0 0 452.515 4.474 50 0 JIAARN Cc1ccccc1C(=O)N1CCC([C@@H](NC(=O)c2cccs2)C(=O)N2CCCC[C@H]2C)CC1 ZINC000036209157 525046225 /nfs/dbraw/zinc/04/62/25/525046225.db2.gz JNMQPMMMVUVMOG-AUSIDOKSSA-N 0 0 467.635 4.108 50 0 JIAARN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccccc3Cl)Oc3cc(C)ccc32)cc1 ZINC000064986364 525046972 /nfs/dbraw/zinc/04/69/72/525046972.db2.gz SKVOOWCNEHPYRJ-QFIPXVFZSA-N 0 0 472.950 4.252 50 0 JIAARN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3cccc(SC)c3)Oc3ccccc32)cc1 ZINC000064986307 525047124 /nfs/dbraw/zinc/04/71/24/525047124.db2.gz CQKJOMDOCKWZPJ-QFIPXVFZSA-N 0 0 470.572 4.012 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)C[C@H](C)O1 ZINC000014861988 525049545 /nfs/dbraw/zinc/04/95/45/525049545.db2.gz TZXOAZMTYPJJMD-HDICACEKSA-N 0 0 490.585 4.280 50 0 JIAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cccc(C)c2C)cc1 ZINC000064972309 525050891 /nfs/dbraw/zinc/05/08/91/525050891.db2.gz UVTQYVJCBUNOIR-XMMPIXPASA-N 0 0 450.560 4.066 50 0 JIAARN Cc1ccc(NC(=O)CSc2ccc(N3CCC(C(=O)N4CCCCC4)CC3)nn2)c(C)c1 ZINC000035455711 525076180 /nfs/dbraw/zinc/07/61/80/525076180.db2.gz QPGUDSJIRUVDLY-UHFFFAOYSA-N 0 0 467.639 4.053 50 0 JIAARN Cc1ccc(NC(=O)CSc2nc3nc(N4CCCCC4)sc3c(=O)n2C(C)C)cc1 ZINC000065319554 525079763 /nfs/dbraw/zinc/07/97/63/525079763.db2.gz OARYLWHBEXNIGH-UHFFFAOYSA-N 0 0 457.625 4.463 50 0 JIAARN COc1ccc(S(=O)(=O)Oc2cc(CN(C(=O)CC(C)(C)C)C3CC3)ccc2OC)cc1 ZINC000037400693 525092349 /nfs/dbraw/zinc/09/23/49/525092349.db2.gz ZYAPPKNVEDFUHF-UHFFFAOYSA-N 0 0 461.580 4.399 50 0 JIAARN COc1ccc(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc1Cl ZINC000033249427 525093733 /nfs/dbraw/zinc/09/37/33/525093733.db2.gz YWFGWGGVWMCXLN-UHFFFAOYSA-N 0 0 480.970 4.058 50 0 JIAARN Cc1ccc(NC(=O)Cc2nc(CN3CCN(CC(=O)Nc4cccc(C)c4C)CC3)cs2)cc1 ZINC000095357406 525097797 /nfs/dbraw/zinc/09/77/97/525097797.db2.gz YCLJGXRVKYVZPR-UHFFFAOYSA-N 0 0 491.661 4.006 50 0 JIAARN C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 ZINC000004313090 525125828 /nfs/dbraw/zinc/12/58/28/525125828.db2.gz QZDWGYIWUMGMPB-JTQLQIEISA-N 0 0 457.350 4.149 50 0 JIAARN COc1ccc([C@@H](C)NC(=O)c2ccc(CN3c4ccccc4C(=O)N4CCC[C@@H]4C3=O)cc2)cc1 ZINC000035458262 525144374 /nfs/dbraw/zinc/14/43/74/525144374.db2.gz DFDIWMLCVXNNHW-NIYFSFCBSA-N 0 0 483.568 4.338 50 0 JIAARN Cc1cc(NC(=O)C[C@@H](CN(C)S(=O)(=O)c2ccc(Br)cc2)c2ccccc2)no1 ZINC000012446686 525159571 /nfs/dbraw/zinc/15/95/71/525159571.db2.gz PIJMDUILNFQXGK-KRWDZBQOSA-N 0 0 492.395 4.179 50 0 JIAARN Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3CN2)c(C)c1 ZINC000036550238 525197076 /nfs/dbraw/zinc/19/70/76/525197076.db2.gz CFQJYANOZLREKD-RRPNLBNLSA-N 0 0 466.585 4.165 50 0 JIAARN C[C@]1(C(=O)NC2CCCC2)Cn2c3ccccc3nc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000021861766 525197110 /nfs/dbraw/zinc/19/71/10/525197110.db2.gz NJOFWRUZDORXJG-RUZDIDTESA-N 0 0 450.970 4.206 50 0 JIAARN Cc1ccccc1C[C@H](C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)N(C)C(=O)Cn1cccn1 ZINC000012198764 525197915 /nfs/dbraw/zinc/19/79/15/525197915.db2.gz LVOYZOOAMHDDIZ-HHHXNRCGSA-N 0 0 483.616 4.295 50 0 JIAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccsc32)C(=O)N1c1ccc2c(c1)OCCO2 ZINC000035482117 525198661 /nfs/dbraw/zinc/19/86/61/525198661.db2.gz JFKZPLLSAHHNKE-RUZDIDTESA-N 0 0 465.575 4.342 50 0 JIAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)c(C)c1 ZINC000033269302 525200706 /nfs/dbraw/zinc/20/07/06/525200706.db2.gz NZLFXWXLBXMCCQ-JOCHJYFZSA-N 0 0 492.645 4.491 50 0 JIAARN Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)c(Cl)c1 ZINC000033276234 525211313 /nfs/dbraw/zinc/21/13/13/525211313.db2.gz UUHAEMOUTCFBRI-AWEZNQCLSA-N 0 0 474.970 4.190 50 0 JIAARN Cc1ccccc1Cn1nnc2c1nc([C@H]1CCCN(C(=O)c3ccc(C(C)(C)C)cc3)C1)[nH]c2=O ZINC000008612543 525212018 /nfs/dbraw/zinc/21/20/18/525212018.db2.gz STHNGHFLDSSXIE-NRFANRHFSA-N 0 0 484.604 4.189 50 0 JIAARN Cc1cc(NC(=O)[C@@H](Sc2nnc([C@@H]3COc4ccccc4O3)n2C)c2ccccc2)no1 ZINC000016801596 525213546 /nfs/dbraw/zinc/21/35/46/525213546.db2.gz GJUHOQSNOCCDKW-ICSRJNTNSA-N 0 0 463.519 4.096 50 0 JIAARN Cc1ccccc1N(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)S(C)(=O)=O ZINC000025727517 525217156 /nfs/dbraw/zinc/21/71/56/525217156.db2.gz QRCZLLYXLYNUGS-UHFFFAOYSA-N 0 0 455.502 4.019 50 0 JIAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)cc1C ZINC000033259253 525220629 /nfs/dbraw/zinc/22/06/29/525220629.db2.gz CKKISNPCOHZNDM-QFIPXVFZSA-N 0 0 467.573 4.312 50 0 JIAARN C[C@H](NC(=O)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)c1)c1ccccc1 ZINC000035459341 525228514 /nfs/dbraw/zinc/22/85/14/525228514.db2.gz WMNUVKWPBHCCJJ-UQBPGWFLSA-N 0 0 453.542 4.329 50 0 JIAARN CS(=O)(=O)Oc1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000033671530 525231711 /nfs/dbraw/zinc/23/17/11/525231711.db2.gz DOAUOQLGTVHQOV-LJQANCHMSA-N 0 0 472.485 4.257 50 0 JIAARN Cc1cc(NC(=O)c2cc3ccccc3o2)n(-c2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)n1 ZINC000016839210 525241996 /nfs/dbraw/zinc/24/19/96/525241996.db2.gz VFORCBLXOMUIHD-UHFFFAOYSA-N 0 0 465.473 4.322 50 0 JIAARN Cc1ccc(NC(=O)c2cccc(Br)c2)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1 ZINC000021797074 525243353 /nfs/dbraw/zinc/24/33/53/525243353.db2.gz XEZLMFRSUCULTI-UHFFFAOYSA-N 0 0 496.365 4.374 50 0 JIAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)s2)cc1 ZINC000046124206 525262472 /nfs/dbraw/zinc/26/24/72/525262472.db2.gz YPECBWMZWZYHGW-HNNXBMFYSA-N 0 0 477.011 4.321 50 0 JIAARN COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccnc2)cc1OCc1ccccc1 ZINC000006144516 525265380 /nfs/dbraw/zinc/26/53/80/525265380.db2.gz RBNPZRCPYTZOKD-QHCPKHFHSA-N 0 0 460.559 4.101 50 0 JIAARN Cc1ccccc1Nc1nc(N)nc(CSCC(=O)Nc2cccc(Br)c2)n1 ZINC000008687967 525274794 /nfs/dbraw/zinc/27/47/94/525274794.db2.gz GRBARLDHCQPPHE-UHFFFAOYSA-N 0 0 459.373 4.140 50 0 JIAARN C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)C1=O ZINC000024877015 525277586 /nfs/dbraw/zinc/27/75/86/525277586.db2.gz RKGYNDPESQEBIN-AREMUKBSSA-N 0 0 489.553 4.058 50 0 JIAARN COc1ccc([C@@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCc2ccc(F)cc2)cc1 ZINC000020414010 525280200 /nfs/dbraw/zinc/28/02/00/525280200.db2.gz VNRDIJBBOXNDIW-RUZDIDTESA-N 0 0 457.505 4.188 50 0 JIAARN C[C@@H](NC(=O)[C@H](C)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1)c1ccc(F)cc1 ZINC000022784815 525280821 /nfs/dbraw/zinc/28/08/21/525280821.db2.gz ZADAPHYQISXYIH-MSOLQXFVSA-N 0 0 470.589 4.472 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2C)c(C)c1 ZINC000020419386 525296031 /nfs/dbraw/zinc/29/60/31/525296031.db2.gz RPLZLZRHINAEAU-UHFFFAOYSA-N 0 0 477.630 4.371 50 0 JIAARN C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)C(=O)NC1CCCC1 ZINC000048302201 525307517 /nfs/dbraw/zinc/30/75/17/525307517.db2.gz SIOOAGBPQMSJID-LJQANCHMSA-N 0 0 467.573 4.324 50 0 JIAARN Cc1cc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)n[nH]2)cc1C ZINC000008845276 525307781 /nfs/dbraw/zinc/30/77/81/525307781.db2.gz VKSXXTGXHXTCEP-QGZVFWFLSA-N 0 0 468.579 4.215 50 0 JIAARN C[C@@H](NC(=O)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)cc1)c1ccc(F)cc1 ZINC000035458320 525326584 /nfs/dbraw/zinc/32/65/84/525326584.db2.gz BFRSTKFNMBCMIJ-CJAUYULYSA-N 0 0 471.532 4.468 50 0 JIAARN Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000064930998 525327953 /nfs/dbraw/zinc/32/79/53/525327953.db2.gz RHVBKXRJUGJIRQ-MRXNPFEDSA-N 0 0 462.984 4.278 50 0 JIAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000029757433 525343392 /nfs/dbraw/zinc/34/33/92/525343392.db2.gz GAYVBWURYNUJCL-XMMPIXPASA-N 0 0 482.512 4.416 50 0 JIAARN COc1ccc([C@H](NC(=O)CNC(=O)c2cccc(Br)c2)c2ccccc2)cc1 ZINC000008704706 525365332 /nfs/dbraw/zinc/36/53/32/525365332.db2.gz OGQRRSZBULZUJM-JOCHJYFZSA-N 0 0 453.336 4.093 50 0 JIAARN Cc1cc(OCC(=O)c2ccc3c(c2)N(CC(=O)Nc2ccc(F)cc2)C(=O)CO3)ccc1Cl ZINC000037513015 525368029 /nfs/dbraw/zinc/36/80/29/525368029.db2.gz CMISRRAVYOWGKB-UHFFFAOYSA-N 0 0 482.895 4.413 50 0 JIAARN Cc1cc(OS(=O)(=O)CS(=O)(=O)Oc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl ZINC000002147603 525376410 /nfs/dbraw/zinc/37/64/10/525376410.db2.gz HSVISDZDKSVGKY-UHFFFAOYSA-N 0 0 453.365 4.302 50 0 JIAARN C[S@](=O)(=NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1)c1ccc(Cl)cc1 ZINC000020442940 525379897 /nfs/dbraw/zinc/37/98/97/525379897.db2.gz DCGREWXIQYHVKO-AREMUKBSSA-N 0 0 476.022 4.080 50 0 JIAARN Cc1cc(O[C@H](C)C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000016753460 525380692 /nfs/dbraw/zinc/38/06/92/525380692.db2.gz UDMNSWBLVKYXIV-SJLPKXTDSA-N 0 0 453.963 4.079 50 0 JIAARN COc1ccc([C@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)CCC3)cc1COC(C)=O ZINC000000696085 525384764 /nfs/dbraw/zinc/38/47/64/525384764.db2.gz QENWWKOJHXEASY-DEOSSOPVSA-N 0 0 475.545 4.068 50 0 JIAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc5ccccc45)c(=O)n32)cc1 ZINC000012294048 525385188 /nfs/dbraw/zinc/38/51/88/525385188.db2.gz KYXHEVJVGAUREB-MKWGYRPRSA-N 0 0 498.604 4.349 50 0 JIAARN Cc1[nH]c2ccc(C(=O)N3CCC[C@@H](NC(=O)[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)C3)cc2c1C ZINC000040148940 525422940 /nfs/dbraw/zinc/42/29/40/525422940.db2.gz ZWSUIHFRZACNLT-NHCUHLMSSA-N 0 0 482.625 4.153 50 0 JIAARN COc1ccc([C@H]2[C@@H](C(=O)NCc3ccc(F)cc3)CCC(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000004759740 525434572 /nfs/dbraw/zinc/43/45/72/525434572.db2.gz OOVMJKHWTVMCNE-NVQXNPDNSA-N 0 0 476.504 4.364 50 0 JIAARN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)CC(=O)N21 ZINC000002109743 525448845 /nfs/dbraw/zinc/44/88/45/525448845.db2.gz WZIMIWMLZPMWGY-FIPFOOKPSA-N 0 0 479.536 4.090 50 0 biogenic JIAARN Cc1ccc(Oc2ccc(NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc3ccccc3)cc2)cc1 ZINC000033029164 525473132 /nfs/dbraw/zinc/47/31/32/525473132.db2.gz DKXXRUCKUMYLOV-HSZRJFAPSA-N 0 0 461.518 4.286 50 0 JIAARN Cc1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)Nc4c(C)cccc4C)nc23)cc1 ZINC000035424775 525479746 /nfs/dbraw/zinc/47/97/46/525479746.db2.gz CTEALOLDZHILMB-UHFFFAOYSA-N 0 0 453.502 4.400 50 0 JIAARN COc1ccc2[nH]cc(C3CCN(C(=O)c4cc(S(=O)(=O)N(C)C)ccc4Cl)CC3)c2c1 ZINC000078680280 525488754 /nfs/dbraw/zinc/48/87/54/525488754.db2.gz HAOVKZIHXDPEPD-UHFFFAOYSA-N 0 0 475.998 4.100 50 0 JIAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000008637535 525489279 /nfs/dbraw/zinc/48/92/79/525489279.db2.gz KTLSIGUJPYRVPI-UHFFFAOYSA-N 0 0 463.861 4.013 50 0 JIAARN COc1ccc2c(c1)C(N1CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C1)=Nc1ccccc1O2 ZINC000034814664 525507871 /nfs/dbraw/zinc/50/78/71/525507871.db2.gz VHTQPFGQUGYDCP-SFHVURJKSA-N 0 0 463.559 4.274 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4cccc(F)c4)s3)CC2)c(C)c1 ZINC000033114147 525524970 /nfs/dbraw/zinc/52/49/70/525524970.db2.gz IXJMOMGQINWCNH-UHFFFAOYSA-N 0 0 474.583 4.115 50 0 JIAARN Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1 ZINC000000627232 525566054 /nfs/dbraw/zinc/56/60/54/525566054.db2.gz JTPMTLBXOPFRLG-UHFFFAOYSA-N 0 0 463.511 4.042 50 0 JIAARN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCc3ccccc3C2)c(Cl)c1)c1ccccc1 ZINC000002890420 525576486 /nfs/dbraw/zinc/57/64/86/525576486.db2.gz FNSYHRDAYNZHES-GOSISDBHSA-N 0 0 485.005 4.343 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2)cc1 ZINC000002147763 525589754 /nfs/dbraw/zinc/58/97/54/525589754.db2.gz NKSKOUYCTWJQJW-OAQYLSRUSA-N 0 0 457.548 4.017 50 0 JIAARN CSCC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1nc2ccccc2[nH]1 ZINC000005983671 525592301 /nfs/dbraw/zinc/59/23/01/525592301.db2.gz QISMDHOFGCHTRQ-FQEVSTJZSA-N 0 0 491.594 4.164 50 0 JIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1cccc(F)c1)C(=O)N2Cc1cccc(OC)c1 ZINC000036166437 525596013 /nfs/dbraw/zinc/59/60/13/525596013.db2.gz UQZKOHHFSWMZIB-SANMLTNESA-N 0 0 478.545 4.432 50 0 JIAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccccc1C(F)(F)F ZINC000064965622 525599649 /nfs/dbraw/zinc/59/96/49/525599649.db2.gz WPEGBEKRFNYXCG-UHFFFAOYSA-N 0 0 481.430 4.294 50 0 JIAARN C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)C1=O ZINC000045901820 525613717 /nfs/dbraw/zinc/61/37/17/525613717.db2.gz VUETYMUEFDJFNI-SFHVURJKSA-N 0 0 454.530 4.111 50 0 JIAARN Cc1c(C(=O)NCc2ccc(F)cc2Cl)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 ZINC000071768671 525627778 /nfs/dbraw/zinc/62/77/78/525627778.db2.gz HNBMUIHNIGTRST-UHFFFAOYSA-N 0 0 452.877 4.226 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCC1)N(Cc1ccccc1OC)C3=O ZINC000021857499 525642987 /nfs/dbraw/zinc/64/29/87/525642987.db2.gz LWWAMDLVBXNUIN-MHZLTWQESA-N 0 0 461.562 4.132 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(Cl)cc1)C3=O ZINC000021859827 525643884 /nfs/dbraw/zinc/64/38/84/525643884.db2.gz RTWIINJDIFJAGV-LVXARBLLSA-N 0 0 481.980 4.013 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C3=O ZINC000021857509 525644375 /nfs/dbraw/zinc/64/43/75/525644375.db2.gz CDRNRBLTXDGARO-HHHXNRCGSA-N 0 0 461.562 4.132 50 0 JIAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc5c(c4)oc(=O)n5C)cc3)sc2c1 ZINC000033169191 525657780 /nfs/dbraw/zinc/65/77/80/525657780.db2.gz FKUNHKRRNNXGPR-UHFFFAOYSA-N 0 0 467.528 4.218 50 0 JIAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(C)c(Cl)c4)nc23)c(C)c1 ZINC000049009070 525673628 /nfs/dbraw/zinc/67/36/28/525673628.db2.gz IKMZYQKWZPJWJF-UHFFFAOYSA-N 0 0 453.955 4.260 50 0 JIAARN Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)c2cc1C(C)C ZINC000023425503 525689842 /nfs/dbraw/zinc/68/98/42/525689842.db2.gz SFVSYWVHSMKKSN-UHFFFAOYSA-N 0 0 476.545 4.010 50 0 JIAARN COc1cccc(-c2cc3c(N4CCC(C(=O)NCc5ccccc5C)CC4)nccn3n2)c1 ZINC000033266721 525708982 /nfs/dbraw/zinc/70/89/82/525708982.db2.gz SIDYJAUTCJKLES-UHFFFAOYSA-N 0 0 455.562 4.246 50 0 JIAARN COc1cccc(-c2cc3c(N4CCC[C@H](C(=O)NCc5ccccc5C)C4)nccn3n2)c1 ZINC000033266478 525709933 /nfs/dbraw/zinc/70/99/33/525709933.db2.gz XPVPQLQGTHMZLA-QFIPXVFZSA-N 0 0 455.562 4.246 50 0 JIAARN Cc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3cc(Br)ccc3n2)cc1 ZINC000020368463 525723258 /nfs/dbraw/zinc/72/32/58/525723258.db2.gz MWAQSZLCXZQTKF-UHFFFAOYSA-N 0 0 468.395 4.425 50 0 JIAARN Cc1ccc(-c2cc(NC(=O)COc3cccc(C)c3C)n([C@H]3CCS(=O)(=O)C3)n2)cc1C ZINC000041156044 525735447 /nfs/dbraw/zinc/73/54/47/525735447.db2.gz VEFMFJAFHWAGRF-NRFANRHFSA-N 0 0 467.591 4.161 50 0 JIAARN Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cc(F)cc(F)c3)n2)cc1NC(=O)C(C)C ZINC000016651412 525746120 /nfs/dbraw/zinc/74/61/20/525746120.db2.gz BGMPZSUIPWHTKD-HNNXBMFYSA-N 0 0 454.477 4.291 50 0 JIAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)C(=O)c4ccccc4F)CC3)nn2)cc1 ZINC000036069418 525752065 /nfs/dbraw/zinc/75/20/65/525752065.db2.gz LVQKYYXJHLDPCP-UHFFFAOYSA-N 0 0 489.595 4.038 50 0 JIAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)N4CCN(c5ccccc5)CC4)C3)nn2)cc1C ZINC000048990562 525752243 /nfs/dbraw/zinc/75/22/43/525752243.db2.gz WDXQCTSAFXYDFV-XMMPIXPASA-N 0 0 455.606 4.326 50 0 JIAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)C4CC4)[C@H](C)c4ccccc4)CC3)nn2)cc1 ZINC000036069635 525752364 /nfs/dbraw/zinc/75/23/64/525752364.db2.gz AHDPSPLJYDRQIA-JOCHJYFZSA-N 0 0 483.616 4.100 50 0 JIAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)C4CCC4)[C@H](C)c4ccccc4)CC3)nn2)cc1 ZINC000036069610 525752392 /nfs/dbraw/zinc/75/23/92/525752392.db2.gz FFJRPMRRGVXYMK-HSZRJFAPSA-N 0 0 497.643 4.491 50 0 JIAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4cccs4)C(C)C)CC3)nn2)cc1 ZINC000036070074 525752404 /nfs/dbraw/zinc/75/24/04/525752404.db2.gz LUPZATQRMADIHF-UHFFFAOYSA-N 0 0 477.634 4.103 50 0 JIAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)C4CC4)[C@@H](C)c4ccccc4)CC3)nn2)cc1 ZINC000036069633 525752866 /nfs/dbraw/zinc/75/28/66/525752866.db2.gz AHDPSPLJYDRQIA-QFIPXVFZSA-N 0 0 483.616 4.100 50 0 JIAARN COc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)NC[C@H]2CCCO2)c1 ZINC000067292272 525780281 /nfs/dbraw/zinc/78/02/81/525780281.db2.gz TVGXJNPGVBYNQW-UEAMBXKFSA-N 0 0 457.324 4.345 50 0 JIAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(N2CCC[C@H](C[NH+]3CCCC3)C2)c(C(=O)[O-])c1 ZINC000033253770 525785389 /nfs/dbraw/zinc/78/53/89/525785389.db2.gz ORVQCZMCDKILLE-GOSISDBHSA-N 0 0 492.041 4.460 50 0 JIAARN COc1cccc(C(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000002249363 525785616 /nfs/dbraw/zinc/78/56/16/525785616.db2.gz USPLDQDAZOIAOQ-IBGZPJMESA-N 0 0 478.328 4.439 50 0 JIAARN Cc1ccc(-c2nc(SCc3noc(CCC(=O)Nc4cc(F)ccc4C)n3)n[nH]2)cc1 ZINC000033270933 525789513 /nfs/dbraw/zinc/78/95/13/525789513.db2.gz YCOFRCWBXLKACA-UHFFFAOYSA-N 0 0 452.515 4.474 50 0 JIAARN COc1cccc(C(=O)N(Cc2c(-c3ccccc3F)noc2N2CCOCC2)C[C@H]2CCCO2)c1 ZINC000036313319 525792232 /nfs/dbraw/zinc/79/22/32/525792232.db2.gz MUDQUSMZMGLKQM-OAQYLSRUSA-N 0 0 495.551 4.147 50 0 JIAARN COc1cccc(C(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CCOCC2)C2CC2)c1 ZINC000036249238 525793014 /nfs/dbraw/zinc/79/30/14/525793014.db2.gz IOVJMDJCDNZFKS-UHFFFAOYSA-N 0 0 451.498 4.131 50 0 JIAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccc(F)cc1 ZINC000021853739 525803490 /nfs/dbraw/zinc/80/34/90/525803490.db2.gz DOJLZOQDPBITDF-MHZLTWQESA-N 0 0 454.505 4.425 50 0 JIAARN COc1cccc(CC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)c1 ZINC000046122736 525865538 /nfs/dbraw/zinc/86/55/38/525865538.db2.gz BQNLAUHIPPAZOB-MRXNPFEDSA-N 0 0 470.982 4.401 50 0 JIAARN COc1cccc(CC(=O)NC2CCN(c3nc4c(s3)c(C)nn4-c3cccc(C)c3)CC2)c1 ZINC000065299909 525870445 /nfs/dbraw/zinc/87/04/45/525870445.db2.gz AMTOVANZGRNAFA-UHFFFAOYSA-N 0 0 475.618 4.435 50 0 JIAARN Cc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc4c(c3)OCO4)n2)cc1 ZINC000023126844 525872350 /nfs/dbraw/zinc/87/23/50/525872350.db2.gz VNJCYMBYMQEXFN-UHFFFAOYSA-N 0 0 455.517 4.327 50 0 JIAARN Cc1ccc(-c2noc3c2ncn(CCC(=O)Nc2ccc(Br)cc2)c3=O)cc1 ZINC000033128582 525885974 /nfs/dbraw/zinc/88/59/74/525885974.db2.gz HEWJDDVPFDOXLQ-UHFFFAOYSA-N 0 0 453.296 4.151 50 0 JIAARN C[C@H](OC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCCc2ccccc21 ZINC000014253538 525889617 /nfs/dbraw/zinc/88/96/17/525889617.db2.gz FZKIAPMWUHJQNT-MRXSSLBFSA-N 0 0 464.606 4.105 50 0 JIAARN COc1cccc(CCN2C(=O)c3cccc(N4CCC[C@H](C(=O)N5CCCC[C@H]5C)C4)c3C2=O)c1 ZINC000039538072 525892772 /nfs/dbraw/zinc/89/27/72/525892772.db2.gz RGPDKWFVMHLUFW-IRLDBZIGSA-N 0 0 489.616 4.151 50 0 JIAARN C[C@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)C(=O)Nc1ccc(F)c(F)c1F ZINC000010650309 525894332 /nfs/dbraw/zinc/89/43/32/525894332.db2.gz IXWXIWVHFHEHCM-LBPRGKRZSA-N 0 0 461.415 4.492 50 0 JIAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)NCc3cccs3)CC2)cc1 ZINC000033175385 525896350 /nfs/dbraw/zinc/89/63/50/525896350.db2.gz IMLAOWJYEWIQGN-UHFFFAOYSA-N 0 0 464.616 4.350 50 0 JIAARN C[C@@H](OC(=O)c1sccc1-n1cccc1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000022888459 525897942 /nfs/dbraw/zinc/89/79/42/525897942.db2.gz UHHLKYYRIUDYBW-GFCCVEGCSA-N 0 0 463.437 4.088 50 0 JIAARN COc1cccc(CN(Cc2nc(C(=O)NCC(C)C)co2)Cc2ccc3c(c2)OCO3)c1OC ZINC000036065805 525926069 /nfs/dbraw/zinc/92/60/69/525926069.db2.gz JOSBRAZXINLPLA-UHFFFAOYSA-N 0 0 481.549 4.009 50 0 JIAARN COc1cccc(CN2C(=O)c3cc(C4CC4)nn3C[C@@]2(C)C(=O)NC2CCCCCC2)c1OC ZINC000021852541 525928766 /nfs/dbraw/zinc/92/87/66/525928766.db2.gz UCHKMNAXBSRRIC-MHZLTWQESA-N 0 0 480.609 4.031 50 0 JIAARN COc1cccc(CN2C(=O)c3cc4oc(C)cc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1OC ZINC000021810807 525929744 /nfs/dbraw/zinc/92/97/44/525929744.db2.gz 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O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc(Cl)c3)co2)s1)C1CC1 ZINC000016047826 527536464 /nfs/dbraw/zinc/53/64/64/527536464.db2.gz FEFSAUJWUGSWQA-UHFFFAOYSA-N 0 0 463.924 4.005 50 0 JIAARN O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1)c1ccccc1Cl ZINC000033169919 527537114 /nfs/dbraw/zinc/53/71/14/527537114.db2.gz VMLRGGMYOSRMEI-LLVKDONJSA-N 0 0 466.803 4.394 50 0 JIAARN Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CCN(Cc1cccn1-c1ccc(Cl)cn1)C2 ZINC000014750663 527541686 /nfs/dbraw/zinc/54/16/86/527541686.db2.gz HRNRITDOICMUIX-UHFFFAOYSA-N 0 0 487.007 4.016 50 0 JIAARN Cc1nn(-c2ccccc2)c(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1NC(=O)C(C)C ZINC000033069408 527547429 /nfs/dbraw/zinc/54/74/29/527547429.db2.gz NCPMHVUQHKQGGG-UHFFFAOYSA-N 0 0 477.584 4.447 50 0 JIAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)OCC(=O)NC[C@H]1CCCO1 ZINC000033541081 527659264 /nfs/dbraw/zinc/65/92/64/527659264.db2.gz RQNURFAUUIUZII-OTDUKCBNSA-N 0 0 471.513 4.137 50 0 JIAARN Cc1nn(C)cc1CN(C)C(=O)c1cc2nc(-c3ccc(C)c(C)c3)cc(C(F)(F)F)n2n1 ZINC000002749351 527691663 /nfs/dbraw/zinc/69/16/63/527691663.db2.gz GFUVQJJMJFFYEK-UHFFFAOYSA-N 0 0 456.472 4.346 50 0 JIAARN COc1cccc(/C=C(\C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c2ccccc2)c1 ZINC000096481975 537073588 /nfs/dbraw/zinc/07/35/88/537073588.db2.gz CMBRKXDBKMGUEK-JWGURIENSA-N 0 0 455.470 4.468 50 0 JIAARN O=C(COc1ccccc1)Nc1nnc(SCC(=O)Nc2cccc3ccccc32)s1 ZINC000000624690 553713343 /nfs/dbraw/zinc/71/33/43/553713343.db2.gz YFYWMARXCHNCFC-UHFFFAOYSA-N 0 0 450.545 4.440 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000000628903 553716432 /nfs/dbraw/zinc/71/64/32/553716432.db2.gz CJGZSPGNCCKJGP-UHFFFAOYSA-N 0 0 471.966 4.441 50 0 JIAARN Cc1cc(C)cc(N2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)c1 ZINC000000644514 553725838 /nfs/dbraw/zinc/72/58/38/553725838.db2.gz QEWCZVFZYZYFLE-UHFFFAOYSA-N 0 0 488.245 4.339 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000000648809 553730063 /nfs/dbraw/zinc/73/00/63/553730063.db2.gz LTDXNSKOZZSAOW-UHFFFAOYSA-N 0 0 459.531 4.237 50 0 JIAARN CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1 ZINC000000649982 553731384 /nfs/dbraw/zinc/73/13/84/553731384.db2.gz SFCYMSOBYZWFLY-UHFFFAOYSA-N 0 0 457.353 4.023 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(OC)cc2)c1 ZINC000000650466 553731613 /nfs/dbraw/zinc/73/16/13/553731613.db2.gz AOGXLDQEGUBAOQ-UHFFFAOYSA-N 0 0 489.557 4.245 50 0 JIAARN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000664553 553741113 /nfs/dbraw/zinc/74/11/13/553741113.db2.gz UFEOLVDSABYLET-UHFFFAOYSA-N 0 0 462.877 4.161 50 0 JIAARN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000000664639 553741422 /nfs/dbraw/zinc/74/14/22/553741422.db2.gz ZRHLCWRDNCAACR-QGZVFWFLSA-N 0 0 458.967 4.075 50 0 JIAARN CN(c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1)S(=O)(=O)c1ccccc1 ZINC000000682137 553754435 /nfs/dbraw/zinc/75/44/35/553754435.db2.gz XAHCJMWCBZJQGB-UHFFFAOYSA-N 0 0 489.553 4.287 50 0 JIAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1c(OC)cc(OC)cc1OC ZINC000000684567 553755777 /nfs/dbraw/zinc/75/57/77/553755777.db2.gz TUNSGGKPEGXHGD-QFIPXVFZSA-N 0 0 468.535 4.121 50 0 JIAARN CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000000687480 553757335 /nfs/dbraw/zinc/75/73/35/553757335.db2.gz DFTKBLIXXDYJCN-HNNXBMFYSA-N 0 0 488.013 4.490 50 0 JIAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1)N1CCOCC1 ZINC000000713095 553767502 /nfs/dbraw/zinc/76/75/02/553767502.db2.gz UUMDLUQYCSEDKT-UHFFFAOYSA-N 0 0 492.420 4.262 50 0 JIAARN Cc1cc(I)ccc1NC(=O)[C@@H]1CSCN1C(=O)OCc1ccccc1 ZINC000000714446 553767687 /nfs/dbraw/zinc/76/76/87/553767687.db2.gz PORQDFCGLNNDFQ-KRWDZBQOSA-N 0 0 482.343 4.250 50 0 JIAARN CN1C(=O)C(C(=O)C(C)(C)C)=C(C(C)(C)C)OC12OC(C(C)(C)C)=C(C(=O)C(C)(C)C)C(=O)N2C ZINC000000715611 553768518 /nfs/dbraw/zinc/76/85/18/553768518.db2.gz PFSGDUAHPFFLFJ-UHFFFAOYSA-N 0 0 490.641 4.406 50 0 JIAARN Cc1cccc(NC2=C(Cl)C(=O)N(c3ccc(I)cc3)C2=O)c1C ZINC000000719420 553771191 /nfs/dbraw/zinc/77/11/91/553771191.db2.gz ZUSGDSCNEMNAGA-UHFFFAOYSA-N 0 0 452.679 4.344 50 0 JIAARN O=C1OC(c2ccccc2Br)=N/C1=C/c1cc2c(cc1Br)OCO2 ZINC000000725940 553774029 /nfs/dbraw/zinc/77/40/29/553774029.db2.gz KHXMJAOWUYOJGS-WLRTZDKTSA-N 0 0 451.070 4.285 50 0 JIAARN O=C(Nc1nccs1)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)c3ccccc3)c1)C2=O ZINC000000758777 553777937 /nfs/dbraw/zinc/77/79/37/553777937.db2.gz GRHIGERYFCPLCF-UHFFFAOYSA-N 0 0 453.479 4.427 50 0 JIAARN COc1ccc(CCNC(=O)CSc2ncnc3sc4c(c32)CC[C@H](C)C4)cc1OC ZINC000000781897 553780176 /nfs/dbraw/zinc/78/01/76/553780176.db2.gz UHZQOVSRQCKZJA-AWEZNQCLSA-N 0 0 457.621 4.284 50 0 JIAARN O=C(COc1ccc(Br)cc1Br)Nc1ccc(N2CCOCC2)cc1 ZINC000000799666 553783628 /nfs/dbraw/zinc/78/36/28/553783628.db2.gz DODNJUIKQIKSPS-UHFFFAOYSA-N 0 0 470.161 4.066 50 0 JIAARN COc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000000829953 553790294 /nfs/dbraw/zinc/79/02/94/553790294.db2.gz QWHQYFSNPSKVGS-UHFFFAOYSA-N 0 0 460.939 4.191 50 0 JIAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NCc2ccccc2)C(C)C)cc1 ZINC000000846203 553796064 /nfs/dbraw/zinc/79/60/64/553796064.db2.gz QSDGFXJQUXRWBR-XMMPIXPASA-N 0 0 459.546 4.018 50 0 biogenic JIAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NCc2ccccc2)C(C)C)cc1 ZINC000000846202 553796143 /nfs/dbraw/zinc/79/61/43/553796143.db2.gz QSDGFXJQUXRWBR-DEOSSOPVSA-N 0 0 459.546 4.018 50 0 biogenic JIAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1cnn2c1N[C@@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F ZINC000000884668 553822802 /nfs/dbraw/zinc/82/28/02/553822802.db2.gz PEFBSPJBWGCVFB-UXHICEINSA-N 0 0 460.504 4.474 50 0 JIAARN CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1ccccc1Br ZINC000000886803 553825385 /nfs/dbraw/zinc/82/53/85/553825385.db2.gz UQXOHNYDNSRLRG-UHFFFAOYSA-N 0 0 477.384 4.476 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3c(=O)n1CC)CCCC2 ZINC000000915466 553845369 /nfs/dbraw/zinc/84/53/69/553845369.db2.gz YDQHESZHUJGBSY-UHFFFAOYSA-N 0 0 471.604 4.264 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N(C)Cc3cn(C)nc3C)n2)cc1 ZINC000000920534 553853233 /nfs/dbraw/zinc/85/32/33/553853233.db2.gz AWBBORQAXRQQMY-UHFFFAOYSA-N 0 0 479.528 4.354 50 0 JIAARN Cc1c(NC(=S)NC(=O)c2sc3ccccc3c2Cl)c(=O)n(-c2ccccc2)n1C ZINC000000941926 553877498 /nfs/dbraw/zinc/87/74/98/553877498.db2.gz MNGWABRGMKGQCS-UHFFFAOYSA-N 0 0 456.980 4.479 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)C2=C(C)Nc3nc(-c4ccccc4)nn3[C@H]2c2cccnc2)cc1 ZINC000000944382 553878391 /nfs/dbraw/zinc/87/83/91/553878391.db2.gz NMGWQIIWLZQWDD-QHCPKHFHSA-N 0 0 480.528 4.444 50 0 JIAARN COc1ccc(CCNC(=O)CSc2nc(C)nc3sc4c(c32)CCCC4)cc1OC ZINC000000948816 553879904 /nfs/dbraw/zinc/87/99/04/553879904.db2.gz WCRKOYCIJSVGIE-UHFFFAOYSA-N 0 0 457.621 4.347 50 0 JIAARN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000000953345 553882385 /nfs/dbraw/zinc/88/23/85/553882385.db2.gz MMAHGJAHXLBVRQ-NRFANRHFSA-N 0 0 450.560 4.305 50 0 JIAARN Cc1cc(C)nc(SC2=C(NCc3ccccc3Cl)C(=O)N(Cc3ccccc3)C2=O)n1 ZINC000000959909 553886120 /nfs/dbraw/zinc/88/61/20/553886120.db2.gz RQVPVKYYWIIUHU-UHFFFAOYSA-N 0 0 464.978 4.409 50 0 JIAARN CCC(=O)N1C(=O)c2c(C)nc3sc4c(c3c2N=C(CC)N1C(=O)CC)CC(C)(C)OC4 ZINC000000973611 553888134 /nfs/dbraw/zinc/88/81/34/553888134.db2.gz XBBYUXXBXBFANK-UHFFFAOYSA-N 0 0 456.568 4.442 50 0 JIAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000982608 553891647 /nfs/dbraw/zinc/89/16/47/553891647.db2.gz GLNIXMJKZTYTOH-HXUWFJFHSA-N 0 0 479.602 4.357 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2ccc(C)cc2)cc1Br ZINC000001174662 553925126 /nfs/dbraw/zinc/92/51/26/553925126.db2.gz RMXFVOCVNHATPP-UHFFFAOYSA-N 0 0 495.439 4.220 50 0 JIAARN CCOc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000001185136 553930266 /nfs/dbraw/zinc/93/02/66/553930266.db2.gz VBCSGIVHEJYHOC-UHFFFAOYSA-N 0 0 458.967 4.250 50 0 JIAARN O=C(COc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1)N1CCCCC1 ZINC000001462403 553975875 /nfs/dbraw/zinc/97/58/75/553975875.db2.gz HEYGNGPYMGBJMJ-MHZLTWQESA-N 0 0 491.613 4.393 50 0 JIAARN CC1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000001462379 553975894 /nfs/dbraw/zinc/97/58/94/553975894.db2.gz YBIIZJYBBZLKEX-UHFFFAOYSA-N 0 0 457.434 4.031 50 0 JIAARN Cc1cc(C)nc(SC2=C(NCc3ccccc3Cl)C(=O)N(CCc3ccccc3)C2=O)n1 ZINC000001785658 553989619 /nfs/dbraw/zinc/98/96/19/553989619.db2.gz QJJWZVDLIPKJAU-UHFFFAOYSA-N 0 0 479.005 4.452 50 0 JIAARN CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1C ZINC000002092054 554035352 /nfs/dbraw/zinc/03/53/52/554035352.db2.gz XKSFFHOCROLMAR-HXUWFJFHSA-N 0 0 457.548 4.161 50 0 biogenic JIAARN COc1ccc(CCN2CC(=O)N3[C@H](c4cccc(OC)c4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002103044 554043589 /nfs/dbraw/zinc/04/35/89/554043589.db2.gz HKBBTNWEDFDEJZ-LITSAYRRSA-N 0 0 495.579 4.113 50 0 biogenic JIAARN CCCCCN1CC(=O)N2[C@H](c3cc(OC)c(OC)c(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002107251 554046977 /nfs/dbraw/zinc/04/69/77/554046977.db2.gz IIWCHMHOHWWUJO-HFZDXXHNSA-N 0 0 491.588 4.069 50 0 biogenic JIAARN COc1ccc(CN2CC(=O)N3[C@H](c4ccccc4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1OC ZINC000002107397 554047340 /nfs/dbraw/zinc/04/73/40/554047340.db2.gz HGVHQYPXXPPFJS-NEKDWFFYSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN COc1ccccc1CN1CC(=O)N2[C@H](c3ccccc3OC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002114036 554052632 /nfs/dbraw/zinc/05/26/32/554052632.db2.gz DDDCKYOFPFSPLA-NEKDWFFYSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN COc1ccc(CN2CC(=O)N3[C@H](c4ccccc4C)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002118600 554054451 /nfs/dbraw/zinc/05/44/51/554054451.db2.gz YIHWSCHIYXFRMW-LBNVMWSVSA-N 0 0 465.553 4.370 50 0 biogenic JIAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 ZINC000002147037 554067047 /nfs/dbraw/zinc/06/70/47/554067047.db2.gz VKXHEBAXIVIVBZ-MWTRTKDXSA-N 0 0 471.575 4.325 50 0 biogenic JIAARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)cc(C)c12 ZINC000002148231 554067576 /nfs/dbraw/zinc/06/75/76/554067576.db2.gz ORVBCMVPZJJNOM-HJPURHCSSA-N 0 0 457.548 4.017 50 0 JIAARN COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(c4cccc(OC)c4)C(=O)N32)cc1 ZINC000002149469 554068677 /nfs/dbraw/zinc/06/86/77/554068677.db2.gz VTLYJQOBPFOPKG-NOZRDPDXSA-N 0 0 481.508 4.446 50 0 JIAARN CCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(Br)cc2)C1=O ZINC000002152694 554070778 /nfs/dbraw/zinc/07/07/78/554070778.db2.gz QENHFZIYVBWLRO-REWPJTCUSA-N 0 0 466.379 4.415 50 0 biogenic JIAARN CCOC(=O)CN(C(=O)CSc1nnc(-c2ccco2)o1)c1cccc(C(F)(F)F)c1 ZINC000002181016 554079808 /nfs/dbraw/zinc/07/98/08/554079808.db2.gz BDUWSJIMUFLVCT-UHFFFAOYSA-N 0 0 455.414 4.037 50 0 JIAARN CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(OC)c1 ZINC000002181009 554079814 /nfs/dbraw/zinc/07/98/14/554079814.db2.gz ZBLFHODRUBHLDJ-UHFFFAOYSA-N 0 0 461.927 4.087 50 0 JIAARN COc1ccc(CCn2c(N)c(C(=O)NCc3ccccc3OC)c3nc4ccccc4nc32)cc1 ZINC000002208918 554094067 /nfs/dbraw/zinc/09/40/67/554094067.db2.gz IQRLLXWXJYGFNG-UHFFFAOYSA-N 0 0 481.556 4.357 50 0 JIAARN CC1(C)Cc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c(=O)n3CC(=O)Nc2ccccc2)CO1 ZINC000002232557 554106144 /nfs/dbraw/zinc/10/61/44/554106144.db2.gz TXOGXIZNYACJPR-UHFFFAOYSA-N 0 0 495.988 4.357 50 0 JIAARN COc1ccc(CCn2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)cc1 ZINC000002244956 554110839 /nfs/dbraw/zinc/11/08/39/554110839.db2.gz YEAUTAGEWSYSMN-UHFFFAOYSA-N 0 0 464.572 4.312 50 0 JIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 ZINC000002244937 554110843 /nfs/dbraw/zinc/11/08/43/554110843.db2.gz ZSADKICAMYBWSD-LJQANCHMSA-N 0 0 450.834 4.279 50 0 JIAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)N2C1=O ZINC000002249810 554114147 /nfs/dbraw/zinc/11/41/47/554114147.db2.gz SUUGFPREGXKVQM-IFMALSPDSA-N 0 0 496.585 4.495 50 0 JIAARN CC(=O)Nc1ccc(-n2c(N)c(C(=O)NCc3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002253336 554116626 /nfs/dbraw/zinc/11/66/26/554116626.db2.gz KRRQCVDATFNDFS-UHFFFAOYSA-N 0 0 464.529 4.353 50 0 JIAARN COc1ccc(Cn2c(N)c(C(=O)NCc3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002256858 554119405 /nfs/dbraw/zinc/11/94/05/554119405.db2.gz LFRIWDBQVVZWOG-UHFFFAOYSA-N 0 0 451.530 4.462 50 0 JIAARN CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000002274919 554128610 /nfs/dbraw/zinc/12/86/10/554128610.db2.gz SLLCDGVIRRTCFE-SFHVURJKSA-N 0 0 464.362 4.378 50 0 JIAARN COc1ccc(CCNC(=O)c2c(N)n(-c3cccc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002283329 554132014 /nfs/dbraw/zinc/13/20/14/554132014.db2.gz KRDAQNKJHXRBND-UHFFFAOYSA-N 0 0 451.530 4.445 50 0 JIAARN COc1cc(C(=O)c2cc(Cl)ccc2NC(=O)c2c(C)cc(=O)oc2C)cc(OC)c1OC ZINC000002309317 554143192 /nfs/dbraw/zinc/14/31/92/554143192.db2.gz YSBSKNSRFJKSPO-UHFFFAOYSA-N 0 0 471.893 4.419 50 0 JIAARN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(OC)cc4)n21)CC(C)(C)OC3 ZINC000002321539 554147567 /nfs/dbraw/zinc/14/75/67/554147567.db2.gz HLWUPHUDAARURY-UHFFFAOYSA-N 0 0 483.619 4.492 50 0 JIAARN COCCNC(=O)/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)NC(=O)c1ccccc1 ZINC000002349092 554160573 /nfs/dbraw/zinc/16/05/73/554160573.db2.gz PLYJVIJZQWQPTQ-HKWRFOASSA-N 0 0 458.436 4.499 50 0 JIAARN O=C(CSc1nnc(-c2cnccn2)n1-c1ccccc1)Nc1ccccc1Br ZINC000002362937 554166541 /nfs/dbraw/zinc/16/65/41/554166541.db2.gz ZOEHDNBCYUNGHE-UHFFFAOYSA-N 0 0 467.352 4.218 50 0 JIAARN Cc1ccccc1-c1nc2s/c(=C3/c4ccccc4N(Cc4ccccc4Cl)C3=O)c(=O)n2n1 ZINC000002382744 554176112 /nfs/dbraw/zinc/17/61/12/554176112.db2.gz MXUAZBKTIAABJE-DQRAZIAOSA-N 0 0 484.968 4.245 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2cnccn2)n1Cc1ccco1 ZINC000002394969 554182054 /nfs/dbraw/zinc/18/20/54/554182054.db2.gz VYXOSUSRZBQMJA-UHFFFAOYSA-N 0 0 470.942 4.078 50 0 JIAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2N)cc1 ZINC000002397385 554183727 /nfs/dbraw/zinc/18/37/27/554183727.db2.gz CDFDBVOVMAMVEC-UHFFFAOYSA-N 0 0 471.892 4.461 50 0 JIAARN COc1ccc(CCN2CN(S(=O)(=O)c3cccc(C)c3)c3nc4ccccc4nc32)cc1OC ZINC000002398228 554184152 /nfs/dbraw/zinc/18/41/52/554184152.db2.gz ACDFRQVOEBGQCW-UHFFFAOYSA-N 0 0 490.585 4.171 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc4oc5ccccc5c4cc3OC)n2N)cc1 ZINC000002398543 554184167 /nfs/dbraw/zinc/18/41/67/554184167.db2.gz PYANDMNKYNQAFG-UHFFFAOYSA-N 0 0 475.530 4.306 50 0 JIAARN CC[C@H](C(=O)c1ccc(Cl)cc1)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)OC)C(=O)OC ZINC000002400063 554185269 /nfs/dbraw/zinc/18/52/69/554185269.db2.gz DHVMVVNERQBUOX-FXAWDEMLSA-N 0 0 462.926 4.312 50 0 JIAARN CC[C@@H](C(=O)c1ccc(Cl)cc1)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)OC)C(=O)OC ZINC000002400064 554185278 /nfs/dbraw/zinc/18/52/78/554185278.db2.gz DHVMVVNERQBUOX-YLJYHZDGSA-N 0 0 462.926 4.312 50 0 JIAARN Nc1c(C(=O)OC[C@H]2CCCO2)c2nc3ccccc3nc2n1-c1cccc(Br)c1 ZINC000002404379 554187753 /nfs/dbraw/zinc/18/77/53/554187753.db2.gz UTPYJRKRWQWCHR-OAHLLOKOSA-N 0 0 467.323 4.254 50 0 JIAARN COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nncs2)cc1OC ZINC000002435353 554207100 /nfs/dbraw/zinc/20/71/00/554207100.db2.gz MVHYBXCEMYCYRS-KRWDZBQOSA-N 0 0 455.879 4.065 50 0 JIAARN COc1cc(Cl)c([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)cc1OC ZINC000002482036 554226145 /nfs/dbraw/zinc/22/61/45/554226145.db2.gz LSXKPNCJVZJHNH-FQEVSTJZSA-N 0 0 458.927 4.375 50 0 JIAARN O=C(c1ccncc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000002489456 554227275 /nfs/dbraw/zinc/22/72/75/554227275.db2.gz UWXBZXQETCYLKD-UHFFFAOYSA-N 0 0 491.344 4.048 50 0 JIAARN CCOc1cc(C(=O)Nc2nc3n(n2)[C@H](c2ccc(Cl)cc2)CC(=O)N3)cc(OCC)c1OCC ZINC000002593392 554239363 /nfs/dbraw/zinc/23/93/63/554239363.db2.gz WLHJPJXZWMJDGD-KRWDZBQOSA-N 0 0 499.955 4.312 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 ZINC000002620249 554244800 /nfs/dbraw/zinc/24/48/00/554244800.db2.gz IORKKPXTYOLVQF-UHFFFAOYSA-N 0 0 477.517 4.086 50 0 JIAARN COc1ccc(-n2c(SCC(=O)c3cc(C)n(C)c3C)nc3ccccc3c2=O)cc1OC ZINC000002623604 554247654 /nfs/dbraw/zinc/24/76/54/554247654.db2.gz XXHQWMIOMQZRLB-UHFFFAOYSA-N 0 0 463.559 4.333 50 0 JIAARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000002629212 554251762 /nfs/dbraw/zinc/25/17/62/554251762.db2.gz UUGZGEZOLDQZBG-UHFFFAOYSA-N 0 0 467.547 4.435 50 0 JIAARN COc1ccc(C(=O)OCC(=O)c2ccccc2F)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000002637770 554258342 /nfs/dbraw/zinc/25/83/42/554258342.db2.gz UGXUMFBQRHBZSZ-UHFFFAOYSA-N 0 0 483.517 4.016 50 0 JIAARN COc1ccccc1CNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 ZINC000002639574 554259182 /nfs/dbraw/zinc/25/91/82/554259182.db2.gz OXWUPQMVWYXPQO-UHFFFAOYSA-N 0 0 469.950 4.108 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000002655542 554271400 /nfs/dbraw/zinc/27/14/00/554271400.db2.gz PFCGILKRAYQBMJ-UHFFFAOYSA-N 0 0 487.537 4.248 50 0 JIAARN C[C@@H]1CCc2c(sc3ncnc(N4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)c23)C1 ZINC000002658484 554272971 /nfs/dbraw/zinc/27/29/71/554272971.db2.gz GJUWUGXOCAARHH-QGZVFWFLSA-N 0 0 478.643 4.480 50 0 JIAARN CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000002658860 554273159 /nfs/dbraw/zinc/27/31/59/554273159.db2.gz OYABVTWHYRVNLC-UHFFFAOYSA-N 0 0 465.955 4.083 50 0 JIAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000002661159 554274809 /nfs/dbraw/zinc/27/48/09/554274809.db2.gz WYRSFOCHAFFZOC-UHFFFAOYSA-N 0 0 467.547 4.400 50 0 JIAARN Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)n1Cc1cccs1 ZINC000002661984 554275277 /nfs/dbraw/zinc/27/52/77/554275277.db2.gz WNVFFKADEPMEHM-UHFFFAOYSA-N 0 0 486.615 4.039 50 0 JIAARN Cc1cc(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000002664550 554277450 /nfs/dbraw/zinc/27/74/50/554277450.db2.gz NBBCCJFULRNZJQ-SFHVURJKSA-N 0 0 473.481 4.091 50 0 JIAARN Cc1ccc(NC(=O)C[C@@H]2Nc3ccccc3N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1 ZINC000002686954 554283175 /nfs/dbraw/zinc/28/31/75/554283175.db2.gz KESYTGOQYDFOIU-QFIPXVFZSA-N 0 0 456.546 4.406 50 0 JIAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c3ccc(F)cc3c2=O)cc1C ZINC000002687776 554283644 /nfs/dbraw/zinc/28/36/44/554283644.db2.gz CJRTVZMRGCSTBN-UHFFFAOYSA-N 0 0 486.499 4.398 50 0 JIAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(OC)cc3)c(=O)c3cc(F)ccc32)cc1 ZINC000002688319 554284189 /nfs/dbraw/zinc/28/41/89/554284189.db2.gz NPFINSQDJCMFQW-UHFFFAOYSA-N 0 0 460.461 4.028 50 0 JIAARN O=C(Cn1cc(C(=O)c2ccccc2)c(=O)c2cc3c(cc21)OCCO3)Nc1ccc(Cl)cc1 ZINC000002689871 554285144 /nfs/dbraw/zinc/28/51/44/554285144.db2.gz KJJBHJRVNVTQCP-UHFFFAOYSA-N 0 0 474.900 4.296 50 0 JIAARN COc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(OC)c(OC)cc32)c1 ZINC000002690751 554286022 /nfs/dbraw/zinc/28/60/22/554286022.db2.gz PNAKMJXWWNIDAN-UHFFFAOYSA-N 0 0 490.487 4.036 50 0 JIAARN Cc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(Cl)cc1)cn2CC(=O)Nc1ccccc1 ZINC000002690949 554286203 /nfs/dbraw/zinc/28/62/03/554286203.db2.gz UUSLZXBHKQHYGA-UHFFFAOYSA-N 0 0 466.946 4.435 50 0 JIAARN COc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3cc4c(cc3c2=O)OCCO4)cc1OC ZINC000002691628 554287388 /nfs/dbraw/zinc/28/73/88/554287388.db2.gz KTXNUMFKFWDEOR-UHFFFAOYSA-N 0 0 475.472 4.208 50 0 JIAARN COc1ccc(C(=O)c2cn(Cc3ccccc3F)c3cc4c(cc3c2=O)OCCO4)cc1OC ZINC000002691622 554287447 /nfs/dbraw/zinc/28/74/47/554287447.db2.gz UYTBRNVPQTZZKZ-UHFFFAOYSA-N 0 0 475.472 4.208 50 0 JIAARN CCOc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc21 ZINC000002716631 554302254 /nfs/dbraw/zinc/30/22/54/554302254.db2.gz PORWTDJDOLOUQE-UHFFFAOYSA-N 0 0 459.593 4.368 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccccc2)cc1 ZINC000002724797 554311466 /nfs/dbraw/zinc/31/14/66/554311466.db2.gz YDOTZCUYVHPFBF-RUZDIDTESA-N 0 0 495.576 4.040 50 0 JIAARN Cc1cc(C(F)(F)F)nn1CC1N=NC(=S)N1c1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000002730923 554314966 /nfs/dbraw/zinc/31/49/66/554314966.db2.gz GWGGFBOEOSSZJV-UHFFFAOYSA-N 0 0 461.517 4.298 50 0 JIAARN CCOC(=O)C1=C(CSc2nc(C)cc(C(F)F)n2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000002733023 554317104 /nfs/dbraw/zinc/31/71/04/554317104.db2.gz LCZCWRVCJSMJPP-SFHVURJKSA-N 0 0 462.522 4.418 50 0 JIAARN COC(=O)c1ccn(Cn2nc(-c3ccc(OC)cc3)c(Cl)c2-c2ccc(OC)cc2)n1 ZINC000002733347 554317461 /nfs/dbraw/zinc/31/74/61/554317461.db2.gz OPZGQTBIQAETLH-UHFFFAOYSA-N 0 0 452.898 4.377 50 0 JIAARN COc1cc(-c2ccc(NS(=O)(=O)CC(C)C)c(OC)c2)ccc1NS(=O)(=O)CC(C)C ZINC000002746637 554324369 /nfs/dbraw/zinc/32/43/69/554324369.db2.gz CEGYUZYUSVAPFY-UHFFFAOYSA-N 0 0 484.640 4.166 50 0 JIAARN Cc1c(CNC(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Cl)cnn1C ZINC000002753589 554327430 /nfs/dbraw/zinc/32/74/30/554327430.db2.gz CYDNEHVCDSCXIW-UHFFFAOYSA-N 0 0 454.865 4.102 50 0 JIAARN Cc1cc(C)n(-c2ccc(NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C)cc2)n1 ZINC000002759490 554330884 /nfs/dbraw/zinc/33/08/84/554330884.db2.gz AVKQQJVZJCDRHC-UHFFFAOYSA-N 0 0 456.266 4.414 50 0 JIAARN Cc1ccccc1Cn1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)cn1 ZINC000002764145 554332988 /nfs/dbraw/zinc/33/29/88/554332988.db2.gz AOHMAZZOJLJXSR-UHFFFAOYSA-N 0 0 467.378 4.049 50 0 JIAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4ccc5c(c4)OCO5)c3n2)cc1 ZINC000002770481 554336558 /nfs/dbraw/zinc/33/65/58/554336558.db2.gz ATVXQJDNMHMKRF-UHFFFAOYSA-N 0 0 452.417 4.001 50 0 JIAARN Cc1nn(C)cc1CN(C)C(=O)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1 ZINC000002771849 554336792 /nfs/dbraw/zinc/33/67/92/554336792.db2.gz RMYFHEZTYHPFBV-UHFFFAOYSA-N 0 0 468.892 4.444 50 0 JIAARN Cc1c(CNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)cnn1C ZINC000002776074 554339481 /nfs/dbraw/zinc/33/94/81/554339481.db2.gz DPZVKMNSMQQAJX-WBVHZDCISA-N 0 0 452.868 4.169 50 0 JIAARN Cc1c(CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)cnn1C ZINC000002776071 554339559 /nfs/dbraw/zinc/33/95/59/554339559.db2.gz DPZVKMNSMQQAJX-DOTOQJQBSA-N 0 0 452.868 4.169 50 0 JIAARN COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccc(F)c(Br)c1 ZINC000002796739 554350808 /nfs/dbraw/zinc/35/08/08/554350808.db2.gz NMEHVXLKMZRXNR-UHFFFAOYSA-N 0 0 490.325 4.310 50 0 JIAARN CCOc1ccc(C2C(C(=O)OC)=CN(Cc3ccc(Cl)cc3)C=C2C(=O)OC)cc1OC ZINC000002797012 554351065 /nfs/dbraw/zinc/35/10/65/554351065.db2.gz LOHFRGJHHNTDSD-UHFFFAOYSA-N 0 0 471.937 4.461 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3c(=O)n1C)C[C@H](CC)CC2 ZINC000002802653 554353936 /nfs/dbraw/zinc/35/39/36/554353936.db2.gz JMKZSAMYJURXKI-CQSZACIVSA-N 0 0 485.631 4.417 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(Cn3ccc(C)n3)o1)C[C@@H](CC)CC2 ZINC000002805525 554356118 /nfs/dbraw/zinc/35/61/18/554356118.db2.gz YRAVSGTYFPLPKM-AWEZNQCLSA-N 0 0 489.623 4.107 50 0 JIAARN Cc1c(Cl)cccc1N(CC(=O)NCCSCc1c(F)cccc1Cl)S(C)(=O)=O ZINC000002815490 554362491 /nfs/dbraw/zinc/36/24/91/554362491.db2.gz BFOXETVQTSRQJE-UHFFFAOYSA-N 0 0 479.426 4.257 50 0 JIAARN COc1ccc(CCNC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1OC ZINC000002818325 554363733 /nfs/dbraw/zinc/36/37/33/554363733.db2.gz LTWFOPHRJAXVQJ-IBGZPJMESA-N 0 0 498.601 4.010 50 0 JIAARN COc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCCC4)sc3c2)cc1OC ZINC000002836469 554370006 /nfs/dbraw/zinc/37/00/06/554370006.db2.gz IVVUJFIQVQDNOV-UHFFFAOYSA-N 0 0 457.577 4.280 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccc(F)cc3)C(C)C)n2C)cc1 ZINC000002843081 554373919 /nfs/dbraw/zinc/37/39/19/554373919.db2.gz CMXLVVOKCKOAFF-OAQYLSRUSA-N 0 0 485.585 4.211 50 0 JIAARN COc1cc(-c2nc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)no2)cc(OC)c1OC ZINC000002849556 554377717 /nfs/dbraw/zinc/37/77/17/554377717.db2.gz PYPPZIWEEZEBBL-UHFFFAOYSA-N 0 0 475.457 4.410 50 0 JIAARN CCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000002851276 554379332 /nfs/dbraw/zinc/37/93/32/554379332.db2.gz UVZQNEGMGHNYBZ-UHFFFAOYSA-N 0 0 465.575 4.212 50 0 JIAARN CC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 ZINC000002852430 554380421 /nfs/dbraw/zinc/38/04/21/554380421.db2.gz NAXIDETYGASXQZ-UHFFFAOYSA-N 0 0 452.576 4.349 50 0 JIAARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000002853262 554381210 /nfs/dbraw/zinc/38/12/10/554381210.db2.gz BPKPPFILVWHJFK-UHFFFAOYSA-N 0 0 475.792 4.197 50 0 JIAARN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2C)cc1 ZINC000002853945 554381843 /nfs/dbraw/zinc/38/18/43/554381843.db2.gz OBGQQPRAPHOQAP-UHFFFAOYSA-N 0 0 453.351 4.440 50 0 JIAARN 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/nfs/dbraw/zinc/59/54/47/554595447.db2.gz PEMKSVAUHLKKPA-UHFFFAOYSA-N 0 0 459.531 4.237 50 0 JIAARN CCOC(=O)c1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)[C@@H]3c1ccccc1 ZINC000008453607 554599231 /nfs/dbraw/zinc/59/92/31/554599231.db2.gz XADKXQFHFOLMER-IBGZPJMESA-N 0 0 452.474 4.081 50 0 JIAARN COc1ccc(CCN2C(=S)N(Cc3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000008738942 554640699 /nfs/dbraw/zinc/64/06/99/554640699.db2.gz YMPYZCMPKWPHBR-XMMPIXPASA-N 0 0 491.588 4.404 50 0 JIAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 ZINC000008745421 554648486 /nfs/dbraw/zinc/64/84/86/554648486.db2.gz HEFQGYTVCMWFGS-DEOSSOPVSA-N 0 0 455.514 4.056 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1sccc1-c1ccc(C)cc1 ZINC000008749371 554651756 /nfs/dbraw/zinc/65/17/56/554651756.db2.gz IWXCOOHCPLVXPL-UHFFFAOYSA-N 0 0 472.588 4.005 50 0 JIAARN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000008751323 554653467 /nfs/dbraw/zinc/65/34/67/554653467.db2.gz 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COc1ccc(CN2CC(=O)N3C[C@@H](c4ccccc4OC)c4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000008788886 554680959 /nfs/dbraw/zinc/68/09/59/554680959.db2.gz UUPHGWRYENLFCH-JHOBJCJYSA-N 0 0 495.579 4.417 50 0 biogenic JIAARN COCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C1=O ZINC000008790385 554683596 /nfs/dbraw/zinc/68/35/96/554683596.db2.gz HBHJWRBEHWGLCB-AHWVRZQESA-N 0 0 494.551 4.027 50 0 biogenic JIAARN CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000008791664 554684891 /nfs/dbraw/zinc/68/48/91/554684891.db2.gz QRKHJFAPDSIYQQ-KYPHJKQUSA-N 0 0 486.616 4.085 50 0 biogenic JIAARN Cc1c(S(=O)(=O)CCNC(=O)NCCc2ccccc2)c2ccccc2n1Cc1ccccc1 ZINC000008808543 554687746 /nfs/dbraw/zinc/68/77/46/554687746.db2.gz HGJRPOQOGOZKML-UHFFFAOYSA-N 0 0 475.614 4.314 50 0 JIAARN CCCCN(CCCC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC3CCCCC3)c2c1 ZINC000008811764 554692798 /nfs/dbraw/zinc/69/27/98/554692798.db2.gz NRSTUHCAOOVGDR-UHFFFAOYSA-N 0 0 461.628 4.182 50 0 JIAARN Cc1cc(NC(=O)CSC2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)no1 ZINC000008824407 554711516 /nfs/dbraw/zinc/71/15/16/554711516.db2.gz ZJZPICJHWCDDCC-ZDLGFXPLSA-N 0 0 476.514 4.136 50 0 JIAARN COc1cccc(-c2nnc(SCC(=O)N[C@H](Cc3ccccc3)C(C)=O)n2-c2ccccc2)c1 ZINC000008826299 554715877 /nfs/dbraw/zinc/71/58/77/554715877.db2.gz GRWNYHRZCASPBM-XMMPIXPASA-N 0 0 486.597 4.352 50 0 JIAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCC1 ZINC000008828719 554719240 /nfs/dbraw/zinc/71/92/40/554719240.db2.gz OVUTUPKZDJIGRW-UHFFFAOYSA-N 0 0 498.004 4.410 50 0 JIAARN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccccc3)cc2Cl)CC1 ZINC000008831641 554723164 /nfs/dbraw/zinc/72/31/64/554723164.db2.gz FVNYZGKZHLPFCW-FMIVXFBMSA-N 0 0 471.026 4.315 50 0 JIAARN CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc1OC ZINC000008843627 554741004 /nfs/dbraw/zinc/74/10/04/554741004.db2.gz NBIGMBDCEJMVQU-LJQANCHMSA-N 0 0 460.328 4.123 50 0 JIAARN Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1=O ZINC000008844328 554741357 /nfs/dbraw/zinc/74/13/57/554741357.db2.gz RBNHZGKEKAZOEL-UHFFFAOYSA-N 0 0 466.541 4.203 50 0 JIAARN Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)n[nH]2)c1 ZINC000008845328 554742321 /nfs/dbraw/zinc/74/23/21/554742321.db2.gz KAFXKVOOUJSQID-KRWDZBQOSA-N 0 0 468.579 4.215 50 0 JIAARN Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)n[nH]2)c1 ZINC000008845333 554742370 /nfs/dbraw/zinc/74/23/70/554742370.db2.gz PCBDGGSOVDXFFZ-UHFFFAOYSA-N 0 0 468.579 4.216 50 0 JIAARN COc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2)cc1 ZINC000008850587 554747683 /nfs/dbraw/zinc/74/76/83/554747683.db2.gz PRDMPPBLTQOFAQ-UHFFFAOYSA-N 0 0 470.576 4.022 50 0 JIAARN COc1ccc(CNC(=O)Cc2csc(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000008852355 554748942 /nfs/dbraw/zinc/74/89/42/554748942.db2.gz WPOGZLMJDGDJMJ-UHFFFAOYSA-N 0 0 461.996 4.395 50 0 JIAARN CN1CCc2c(OCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)cccc2C1=O ZINC000008855232 554750761 /nfs/dbraw/zinc/75/07/61/554750761.db2.gz YMMHRANYIBCBQH-NRFANRHFSA-N 0 0 463.534 4.272 50 0 JIAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2Br)o1 ZINC000008855611 554751245 /nfs/dbraw/zinc/75/12/45/554751245.db2.gz IPQDEUQIKBSHOJ-GFCCVEGCSA-N 0 0 473.352 4.355 50 0 JIAARN CC[C@H](N1C(=O)N[C@@](NC(=O)c2ccccc2)(C(F)(F)F)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000008868574 554762213 /nfs/dbraw/zinc/76/22/13/554762213.db2.gz CCVVZPYISQMJRD-GVFTWXDOSA-N 0 0 463.500 4.222 50 0 JIAARN CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)cc1OCC ZINC000008869522 554763246 /nfs/dbraw/zinc/76/32/46/554763246.db2.gz MXHCQCKKMRWFBF-QHCPKHFHSA-N 0 0 451.519 4.481 50 0 JIAARN O=C(c1ccc(Br)cc1)N(Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000008869757 554763525 /nfs/dbraw/zinc/76/35/25/554763525.db2.gz ZZKVUJIFIQRETL-FQEVSTJZSA-N 0 0 458.377 4.432 50 0 JIAARN COCCCNC(=O)c1c2c(sc1NC(=O)c1cc(=O)c3cc(Cl)ccc3o1)CCCC2 ZINC000008869640 554763533 /nfs/dbraw/zinc/76/35/33/554763533.db2.gz KCCDJSYHCLOYBJ-UHFFFAOYSA-N 0 0 474.966 4.405 50 0 JIAARN COc1ccc(/C=C/C(=O)N(Cc2cccc3ccccc32)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000008869767 554763571 /nfs/dbraw/zinc/76/35/71/554763571.db2.gz QVUVJOWBFBTATC-UFSNDUKISA-N 0 0 465.571 4.086 50 0 JIAARN C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)C(=O)Nc1ccccc1 ZINC000008879214 554774796 /nfs/dbraw/zinc/77/47/96/554774796.db2.gz XMYFLWGXQDUFOM-INIZCTEOSA-N 0 0 472.592 4.031 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000008883398 554778279 /nfs/dbraw/zinc/77/82/79/554778279.db2.gz UWGMPKIFAZQJNR-UHFFFAOYSA-N 0 0 492.620 4.001 50 0 JIAARN CCN(C(=O)CSc1nnc(COc2ccc(C)cc2C)n1N)c1cccc2ccccc21 ZINC000008892857 554781294 /nfs/dbraw/zinc/78/12/94/554781294.db2.gz XIQCWBQSDDLBGB-UHFFFAOYSA-N 0 0 461.591 4.486 50 0 JIAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000008899394 554790257 /nfs/dbraw/zinc/79/02/57/554790257.db2.gz PWTMVABADKOIPU-UHFFFAOYSA-N 0 0 463.538 4.107 50 0 JIAARN COCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(F)c2)cc1 ZINC000008913354 554805070 /nfs/dbraw/zinc/80/50/70/554805070.db2.gz BGKOHLRZXBJIJT-UHFFFAOYSA-N 0 0 450.539 4.287 50 0 JIAARN Cc1cc2oc(C(=O)N(Cc3ccccc3Cl)[C@H]3CCS(=O)(=O)C3)cc(=O)c2cc1Cl ZINC000008915290 554808647 /nfs/dbraw/zinc/80/86/47/554808647.db2.gz WTMVAZJHAQPHBP-HNNXBMFYSA-N 0 0 480.369 4.238 50 0 JIAARN COc1ccc(C(O)=C2[C@H](c3ccc(C(C)(C)C)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000008915352 554808799 /nfs/dbraw/zinc/80/87/99/554808799.db2.gz GEIKDPATVKEHLU-SPEDKVCISA-N 0 0 450.457 4.097 50 0 JIAARN Cc1ccsc1CN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000008916965 554811708 /nfs/dbraw/zinc/81/17/08/554811708.db2.gz JCPVEWRIGRWMLJ-HIFRSBDPSA-N 0 0 462.420 4.347 50 0 JIAARN CCc1ccc2oc(C(=O)N(Cc3ccc(C(C)(C)C)cc3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000008917658 554813088 /nfs/dbraw/zinc/81/30/88/554813088.db2.gz OHWSWVASYSSUAZ-NRFANRHFSA-N 0 0 481.614 4.482 50 0 JIAARN C[C@]12C(=O)N(c3ccccc3C(=O)NCCc3ccccc3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000008918089 554813986 /nfs/dbraw/zinc/81/39/86/554813986.db2.gz UYYZTVCOXNQBDC-LJAQVGFWSA-N 0 0 478.552 4.381 50 0 biogenic JIAARN O=C(CN1c2ccccc2S(=O)(=O)[C@@H](c2ccccc2)CC1=O)Nc1ccc(Br)cc1 ZINC000008931859 554826044 /nfs/dbraw/zinc/82/60/44/554826044.db2.gz JBHFYJIWAYPZHQ-OAQYLSRUSA-N 0 0 499.386 4.340 50 0 JIAARN COc1ccccc1CNC(=O)Cn1ncc2c3ccccc3n(Cc3ccc(Cl)cc3)c2c1=O ZINC000008933524 554827532 /nfs/dbraw/zinc/82/75/32/554827532.db2.gz QZGYYHASXLPYGY-UHFFFAOYSA-N 0 0 486.959 4.378 50 0 JIAARN O=c1c2c3c(sc2n2c(S)nnc2n1Cc1ccccc1)CN(Cc1ccccc1)CC3 ZINC000008934300 554828846 /nfs/dbraw/zinc/82/88/46/554828846.db2.gz AJIJRRVOKLVRAM-UHFFFAOYSA-N 0 0 459.600 4.001 50 0 JIAARN CC(=O)N(c1nc(COC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cs1)c1ccccc1 ZINC000008939612 554831573 /nfs/dbraw/zinc/83/15/73/554831573.db2.gz QCFLLGVVJHZJGI-QHCPKHFHSA-N 0 0 465.556 4.500 50 0 JIAARN Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c2ccccc2)c1 ZINC000008945186 554833257 /nfs/dbraw/zinc/83/32/57/554833257.db2.gz 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CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000008987418 554849908 /nfs/dbraw/zinc/84/99/08/554849908.db2.gz SYSZDFWCYQPOMY-FQEVSTJZSA-N 0 0 456.011 4.446 50 0 JIAARN O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000008989987 554851612 /nfs/dbraw/zinc/85/16/12/554851612.db2.gz QQZQZWVJAQTINL-IAZBVKJKSA-N 0 0 452.554 4.126 50 0 JIAARN COc1cccc(N2CCN(C(=O)COc3ccc4c(c3)occ(-c3ccccc3)c4=O)CC2)c1 ZINC000008992993 554853476 /nfs/dbraw/zinc/85/34/76/554853476.db2.gz BXFQUEAVDWJWCD-UHFFFAOYSA-N 0 0 470.525 4.196 50 0 biogenic JIAARN COCCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nnc1-c1ccncc1 ZINC000009056458 554874738 /nfs/dbraw/zinc/87/47/38/554874738.db2.gz WEYDEXGWRVPRHT-UHFFFAOYSA-N 0 0 481.578 4.149 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)CC2)cc1 ZINC000009056631 554875309 /nfs/dbraw/zinc/87/53/09/554875309.db2.gz XKCLQWLECAMGQC-UHFFFAOYSA-N 0 0 493.633 4.019 50 0 JIAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000009057908 554877180 /nfs/dbraw/zinc/87/71/80/554877180.db2.gz UMWOZQDJAFSQOQ-IBGZPJMESA-N 0 0 453.651 4.174 50 0 JIAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc3c(c2)NC(=O)CS3)cs1 ZINC000009074986 554886425 /nfs/dbraw/zinc/88/64/25/554886425.db2.gz FIQGVWXAGIHFBW-UHFFFAOYSA-N 0 0 453.545 4.034 50 0 JIAARN CC(=O)[C@@H]1[C@H](C(=O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009088057 554889874 /nfs/dbraw/zinc/88/98/74/554889874.db2.gz CWOOILYRPZLLAA-ANNHOSHMSA-N 0 0 469.928 4.297 50 0 JIAARN COc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc(OC)c1OC ZINC000009089720 554890697 /nfs/dbraw/zinc/89/06/97/554890697.db2.gz YSODALOSMVWLOW-JOCHJYFZSA-N 0 0 476.460 4.411 50 0 JIAARN CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NCc1ccccc1 ZINC000009090552 554891430 /nfs/dbraw/zinc/89/14/30/554891430.db2.gz VVWWBSYDVRYYOY-DFBJGRDBSA-N 0 0 473.573 4.408 50 0 JIAARN COc1cccc(OC)c1C(=O)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000009096389 554894967 /nfs/dbraw/zinc/89/49/67/554894967.db2.gz VQBKANGPVLCQKW-LFIBNONCSA-N 0 0 471.557 4.318 50 0 JIAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009096977 554895563 /nfs/dbraw/zinc/89/55/63/554895563.db2.gz JMAWCKSUCYGBAH-UHFFFAOYSA-N 0 0 463.865 4.024 50 0 JIAARN O=C(CSc1nnc(SCC(=O)NC2CCCCCC2)s1)NC1CCCCCC1 ZINC000009097052 554895876 /nfs/dbraw/zinc/89/58/76/554895876.db2.gz YRSAESKWZRULLY-UHFFFAOYSA-N 0 0 456.703 4.400 50 0 JIAARN O=C(Nc1ccc(F)cc1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009116246 554903769 /nfs/dbraw/zinc/90/37/69/554903769.db2.gz JDQWSXOYXGRJCH-UHFFFAOYSA-N 0 0 457.483 4.432 50 0 JIAARN Cc1cc(Br)cc(Cl)c1OCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009119357 554910142 /nfs/dbraw/zinc/91/01/42/554910142.db2.gz DJBZOIAULMENHJ-KRWDZBQOSA-N 0 0 486.815 4.006 50 0 JIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3O)[nH]n2)cc1 ZINC000009124140 554915047 /nfs/dbraw/zinc/91/50/47/554915047.db2.gz RXVSMKQZPQLTFE-CQSZACIVSA-N 0 0 474.970 4.251 50 0 JIAARN CCOc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCCO)cc1OC ZINC000009124277 554915283 /nfs/dbraw/zinc/91/52/83/554915283.db2.gz GMCAHVBSVRKFLI-HSZRJFAPSA-N 0 0 471.941 4.079 50 0 JIAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000009125238 554917375 /nfs/dbraw/zinc/91/73/75/554917375.db2.gz VZABHCBHCRIQQV-AREMUKBSSA-N 0 0 459.502 4.283 50 0 JIAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)CC ZINC000009125800 554918629 /nfs/dbraw/zinc/91/86/29/554918629.db2.gz MNBSXHJZARMDLJ-IBGZPJMESA-N 0 0 470.513 4.209 50 0 JIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nc(-c2ccccc2)cn1N ZINC000009127420 554922365 /nfs/dbraw/zinc/92/23/65/554922365.db2.gz ZIBZOEVDEAGOHH-UHFFFAOYSA-N 0 0 466.485 4.039 50 0 JIAARN O=C(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000009128088 554924305 /nfs/dbraw/zinc/92/43/05/554924305.db2.gz UGNNLLLZHGJOCR-UHFFFAOYSA-N 0 0 460.317 4.225 50 0 JIAARN COc1ccc(-n2c(S[C@H](C)C(=O)NC3CCCC3)nnc2-c2ccccc2)cc1OC ZINC000009128139 554924333 /nfs/dbraw/zinc/92/43/33/554924333.db2.gz BUZXGHGSIPHZKI-MRXNPFEDSA-N 0 0 452.580 4.491 50 0 JIAARN CCN(CC(=O)NCc1cccs1)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009128506 554925437 /nfs/dbraw/zinc/92/54/37/554925437.db2.gz PPUIPKROAYQPOE-UHFFFAOYSA-N 0 0 450.589 4.441 50 0 JIAARN C[C@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)C(=O)Nc1ccc2ccccc2c1 ZINC000009129210 554927079 /nfs/dbraw/zinc/92/70/79/554927079.db2.gz NMAMEDPQQXQTTG-KRWDZBQOSA-N 0 0 455.514 4.460 50 0 JIAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=NN2[C@@H]3C(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000009137069 554932855 /nfs/dbraw/zinc/93/28/55/554932855.db2.gz GRWNEPCWOQKFMU-NDBXHCKUSA-N 0 0 498.970 4.474 50 0 JIAARN CCCn1c2ccccc2c2cnn(CC(=O)Nc3ccc(Br)cc3C)c(=O)c21 ZINC000009153391 554942956 /nfs/dbraw/zinc/94/29/56/554942956.db2.gz MROHTYRXQCDNMN-UHFFFAOYSA-N 0 0 453.340 4.471 50 0 JIAARN CCc1ccccc1NC(=O)Cn1c2c3cc(C)ccc3n(C)c2c(=O)n(-c2cccc(C)c2)c1=O ZINC000009153587 554943436 /nfs/dbraw/zinc/94/34/36/554943436.db2.gz WQCSFZMCPMTOGR-UHFFFAOYSA-N 0 0 480.568 4.462 50 0 JIAARN COc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3C)c(=O)n1Cc1cccc(OC)c1)n2C ZINC000009153772 554944174 /nfs/dbraw/zinc/94/41/74/554944174.db2.gz HHDUUCIOFXLWMB-UHFFFAOYSA-N 0 0 455.514 4.018 50 0 JIAARN COc1ccc(-n2c(=O)c3c(c4cc(OC)ccc4n3C)n(Cc3ccc(C)cc3)c2=O)cc1 ZINC000009153780 554944186 /nfs/dbraw/zinc/94/41/86/554944186.db2.gz FEMYNKUDBGWOJQ-UHFFFAOYSA-N 0 0 455.514 4.018 50 0 JIAARN COCCn1c2ccccc2nc1SCC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000009156929 554946450 /nfs/dbraw/zinc/94/64/50/554946450.db2.gz AEULTFSYYBNVSB-UHFFFAOYSA-N 0 0 452.580 4.086 50 0 JIAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1 ZINC000009168362 554952328 /nfs/dbraw/zinc/95/23/28/554952328.db2.gz KSIYHINKFCPXMH-UHFFFAOYSA-N 0 0 473.595 4.244 50 0 JIAARN CC(C)CN1c2ccc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)cc2OCC(C)(C)C1=O ZINC000009168370 554952430 /nfs/dbraw/zinc/95/24/30/554952430.db2.gz LRZWIJPZGRJNSN-UHFFFAOYSA-N 0 0 487.622 4.490 50 0 JIAARN O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009169279 554952830 /nfs/dbraw/zinc/95/28/30/554952830.db2.gz HRQDDTWOOBXXTC-UHFFFAOYSA-N 0 0 466.519 4.300 50 0 JIAARN O=C(c1cccs1)N1CCC[C@@H]1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000009170433 554953376 /nfs/dbraw/zinc/95/33/76/554953376.db2.gz DYMJUGAIDYPDFF-QGZVFWFLSA-N 0 0 456.955 4.247 50 0 JIAARN CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CCC)C(=O)C(C)(C)CO3)cc1 ZINC000009172121 554954048 /nfs/dbraw/zinc/95/40/48/554954048.db2.gz VVYQJJCPSMJYNI-UHFFFAOYSA-N 0 0 473.595 4.388 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCCc3ccccc31)CC2 ZINC000009183896 554956351 /nfs/dbraw/zinc/95/63/51/554956351.db2.gz FYVNYXUOJKZNPV-RPWUZVMVSA-N 0 0 479.621 4.380 50 0 biogenic JIAARN CSc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccn4)n21)CC(C)(C)OC3 ZINC000009186717 554959148 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ZINC000009432573 555201766 /nfs/dbraw/zinc/20/17/66/555201766.db2.gz ZUXMWAHGXXHXEN-FCHUYYIVSA-N 0 0 464.543 4.101 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)C1 ZINC000009433019 555202890 /nfs/dbraw/zinc/20/28/90/555202890.db2.gz CDGGDDLJRHABSP-SXSPYAJSSA-N 0 0 468.619 4.487 50 0 JIAARN COC(=O)[C@H](CCSC)NC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000009433297 555203384 /nfs/dbraw/zinc/20/33/84/555203384.db2.gz JPBOVXBUNXOEDU-SESVDKBCSA-N 0 0 474.648 4.096 50 0 JIAARN COc1cc(/C=C/C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc(Cl)c1OC ZINC000009438357 555208019 /nfs/dbraw/zinc/20/80/19/555208019.db2.gz OVCRUDCCGNGLQS-CMDGGOBGSA-N 0 0 457.954 4.395 50 0 JIAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 ZINC000009440523 555210952 /nfs/dbraw/zinc/21/09/52/555210952.db2.gz HDEGOFNUAKIEPS-UHFFFAOYSA-N 0 0 497.375 4.423 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)ccc1C ZINC000009442192 555213777 /nfs/dbraw/zinc/21/37/77/555213777.db2.gz YCVHKRRVUVPLRI-UHFFFAOYSA-N 0 0 485.606 4.391 50 0 JIAARN Cc1c(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000009442711 555215220 /nfs/dbraw/zinc/21/52/20/555215220.db2.gz HINZRJLUNXWTPY-UHFFFAOYSA-N 0 0 456.877 4.282 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NC(=O)c3cccc(OC)c3)c2)cc1 ZINC000009444256 555217226 /nfs/dbraw/zinc/21/72/26/555217226.db2.gz DXXGTGOLBQTGKZ-UHFFFAOYSA-N 0 0 481.574 4.357 50 0 JIAARN CN(C)S(=O)(=O)c1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1 ZINC000009445132 555218099 /nfs/dbraw/zinc/21/80/99/555218099.db2.gz FDRYPCFUVQZUPN-UHFFFAOYSA-N 0 0 453.633 4.446 50 0 JIAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1=O ZINC000009448527 555221375 /nfs/dbraw/zinc/22/13/75/555221375.db2.gz UWUSMJFIVKPOEF-NDEPHWFRSA-N 0 0 477.580 4.443 50 0 JIAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)n1N ZINC000009450062 555222686 /nfs/dbraw/zinc/22/26/86/555222686.db2.gz ITJUHZZXGZNTGT-UHFFFAOYSA-N 0 0 474.377 4.395 50 0 JIAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2N)cc1 ZINC000009450505 555223263 /nfs/dbraw/zinc/22/32/63/555223263.db2.gz PNRJZGLXMCGTTC-AWEZNQCLSA-N 0 0 465.558 4.432 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Oc2cc(C)cc3oc(=O)cc(C)c23)c2ccccc2)cc1 ZINC000009451379 555223946 /nfs/dbraw/zinc/22/39/46/555223946.db2.gz BAIDXACTOJCIDS-RUZDIDTESA-N 0 0 477.538 4.343 50 0 JIAARN CCc1c(C)nc(SCC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(C)cc2)[nH]c1=O ZINC000009454003 555225229 /nfs/dbraw/zinc/22/52/29/555225229.db2.gz QOPVHOLYWXFBGT-QHCPKHFHSA-N 0 0 476.602 4.428 50 0 JIAARN CCCc1cc(=O)[nH]c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(F)cc2)n1 ZINC000009453919 555225257 /nfs/dbraw/zinc/22/52/57/555225257.db2.gz KMFUGNYTCZXKLB-SFHVURJKSA-N 0 0 456.568 4.393 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C)c1ccccc1Br ZINC000009455074 555225693 /nfs/dbraw/zinc/22/56/93/555225693.db2.gz OJQMTOSYGZJDFV-OAHLLOKOSA-N 0 0 451.386 4.033 50 0 JIAARN CN(C)S(=O)(=O)c1cccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 ZINC000009459983 555227699 /nfs/dbraw/zinc/22/76/99/555227699.db2.gz WBVMQNQMYFNWKH-UHFFFAOYSA-N 0 0 454.577 4.129 50 0 JIAARN Cc1oc2cc(OCC(=O)N3CC(=O)Nc4ccccc43)ccc2c(=O)c1Oc1ccc(F)cc1 ZINC000009462306 555231055 /nfs/dbraw/zinc/23/10/55/555231055.db2.gz CAEGFOBUKRGAJL-UHFFFAOYSA-N 0 0 474.444 4.397 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C=Cc4ccccn4)c3)CC2)cc1 ZINC000009463451 555233680 /nfs/dbraw/zinc/23/36/80/555233680.db2.gz QNTTVGLKOAWOEK-DHZHZOJOSA-N 0 0 489.597 4.494 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCc2csc(-c3ccc(F)cc3)n2)c1 ZINC000009464410 555236497 /nfs/dbraw/zinc/23/64/97/555236497.db2.gz HNNRXBZUUCPJTQ-UHFFFAOYSA-N 0 0 489.594 4.157 50 0 JIAARN COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)c1C ZINC000009466085 555241647 /nfs/dbraw/zinc/24/16/47/555241647.db2.gz AUBBBTZEEJPJNO-CYBMUJFWSA-N 0 0 469.489 4.162 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCc3ccco3)ccc2N2CCCC2)cc1 ZINC000009467627 555245291 /nfs/dbraw/zinc/24/52/91/555245291.db2.gz CBAVIOSVOAUXBY-UHFFFAOYSA-N 0 0 469.563 4.261 50 0 JIAARN O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)N1CCN(c2nccs2)CC1 ZINC000009468005 555246533 /nfs/dbraw/zinc/24/65/33/555246533.db2.gz RAJOETBFDWZCOF-UHFFFAOYSA-N 0 0 497.429 4.213 50 0 JIAARN C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009468072 555246645 /nfs/dbraw/zinc/24/66/45/555246645.db2.gz NVMUITJOTANPLU-INIZCTEOSA-N 0 0 462.015 4.442 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2)cc1 ZINC000009468218 555247432 /nfs/dbraw/zinc/24/74/32/555247432.db2.gz WOXQADJRBAZWRN-UHFFFAOYSA-N 0 0 479.558 4.031 50 0 JIAARN Cc1cccn2cc(CSc3nc4sc5c(c4c(=O)n3C[C@H]3CCCO3)CCC5)nc12 ZINC000009468476 555248162 /nfs/dbraw/zinc/24/81/62/555248162.db2.gz JZTNKKRBSYWHRA-MRXNPFEDSA-N 0 0 452.605 4.374 50 0 JIAARN C[C@@H](c1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000009469442 555251760 /nfs/dbraw/zinc/25/17/60/555251760.db2.gz FYKFBMKPOIXCRD-KRWDZBQOSA-N 0 0 494.596 4.031 50 0 JIAARN COc1ccccc1CNS(=O)(=O)c1cc(C(=O)N(C)Cc2cccnc2)c(Cl)cc1Cl ZINC000009469580 555252051 /nfs/dbraw/zinc/25/20/51/555252051.db2.gz WHZAEXCTRYLXTP-UHFFFAOYSA-N 0 0 494.400 4.148 50 0 JIAARN COc1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000009469889 555253112 /nfs/dbraw/zinc/25/31/12/555253112.db2.gz QNOUTLKYSCZYOV-UHFFFAOYSA-N 0 0 490.585 4.461 50 0 JIAARN Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCC(=O)Nc4ccc(F)cc4)n3n2)n1 ZINC000009472036 555254966 /nfs/dbraw/zinc/25/49/66/555254966.db2.gz MPMYUWNQQHWUSJ-UHFFFAOYSA-N 0 0 475.553 4.203 50 0 JIAARN O=C(c1ccc2c(c1)nc1sc(Nc3ccccc3)nn1c2=O)N1CCc2ccccc2C1 ZINC000009473875 555256352 /nfs/dbraw/zinc/25/63/52/555256352.db2.gz CQANYMGVRUFOKP-UHFFFAOYSA-N 0 0 453.527 4.246 50 0 JIAARN COc1ccc(-c2coc3cc(OCC(=O)NCc4ccc(OC)c(OC)c4)ccc3c2=O)cc1 ZINC000009481977 555261511 /nfs/dbraw/zinc/26/15/11/555261511.db2.gz CNSRZVVDKPIDRF-UHFFFAOYSA-N 0 0 475.497 4.181 50 0 biogenic JIAARN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000009482011 555261519 /nfs/dbraw/zinc/26/15/19/555261519.db2.gz JHQOBSUQWKBMOY-OAQYLSRUSA-N 0 0 451.592 4.412 50 0 JIAARN CCNC(=O)NC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@@H](C)C3 ZINC000009482072 555261550 /nfs/dbraw/zinc/26/15/50/555261550.db2.gz ULNZPIXCYIYYFL-CHWSQXEVSA-N 0 0 488.610 4.037 50 0 JIAARN COc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000009486904 555262751 /nfs/dbraw/zinc/26/27/51/555262751.db2.gz MICPEALAHBWCNR-HXUWFJFHSA-N 0 0 466.421 4.004 50 0 JIAARN CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000009489519 555264351 /nfs/dbraw/zinc/26/43/51/555264351.db2.gz VJCQNKJOUJTPNT-IBGZPJMESA-N 0 0 490.585 4.282 50 0 JIAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COC(=O)c2ccccc2)cc1OC ZINC000009491150 555268058 /nfs/dbraw/zinc/26/80/58/555268058.db2.gz DXFSEMWQRVXHRD-IBGZPJMESA-N 0 0 450.516 4.300 50 0 JIAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1nc(-c2ccccc2)nc2ccccc21 ZINC000009491786 555270428 /nfs/dbraw/zinc/27/04/28/555270428.db2.gz YLFKFNIBDIPCBC-UHFFFAOYSA-N 0 0 453.546 4.208 50 0 JIAARN Cc1cccc(-c2nnc(SCC(=O)NCC(=O)Nc3ccc(F)cc3)n2-c2ccccc2)c1 ZINC000009492646 555272891 /nfs/dbraw/zinc/27/28/91/555272891.db2.gz USFJZCVBGIFKBX-UHFFFAOYSA-N 0 0 475.549 4.229 50 0 JIAARN Cc1cc(C)cc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 ZINC000009492793 555273522 /nfs/dbraw/zinc/27/35/22/555273522.db2.gz DQEIIYAJJNVNEU-UHFFFAOYSA-N 0 0 471.966 4.126 50 0 JIAARN COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(Cc3ccco3)C1)oc1ccccc12 ZINC000009493638 555276297 /nfs/dbraw/zinc/27/62/97/555276297.db2.gz YNZOBJKJPFTATR-HOTGVXAUSA-N 0 0 476.485 4.107 50 0 JIAARN Cc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N=3)o1 ZINC000009494233 555278024 /nfs/dbraw/zinc/27/80/24/555278024.db2.gz HZLFQNUFHKXDDS-IMEWXKHHSA-N 0 0 475.595 4.145 50 0 JIAARN CNC(=O)[C@H]1CN(C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)c2ccccc2O1 ZINC000009494904 555279324 /nfs/dbraw/zinc/27/93/24/555279324.db2.gz PYQKJQJKXPCCDD-HXUWFJFHSA-N 0 0 480.977 4.262 50 0 JIAARN O=C(Cc1sc(N2CCCC2)nc1O)Nc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000009499422 555284099 /nfs/dbraw/zinc/28/40/99/555284099.db2.gz NRRCSGQLPDSMPZ-HSZRJFAPSA-N 0 0 488.613 4.039 50 0 JIAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000009500566 555285299 /nfs/dbraw/zinc/28/52/99/555285299.db2.gz SJCCVUZJZQYQIO-UHFFFAOYSA-N 0 0 455.543 4.248 50 0 JIAARN Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2ncn(CC(=O)N3C[C@H](C)C[C@H](C)C3)c(=O)c12 ZINC000009500902 555285511 /nfs/dbraw/zinc/28/55/11/555285511.db2.gz WGNSVNXDWDTEDV-BETUJISGSA-N 0 0 490.988 4.316 50 0 JIAARN COc1cc(CCC2CCN(C(=O)[C@@H](NC(=O)c3ccccc3F)C(C)C)CC2)cc(OC)c1 ZINC000009501878 555286351 /nfs/dbraw/zinc/28/63/51/555286351.db2.gz YRLSPUZATUASSM-VWLOTQADSA-N 0 0 470.585 4.469 50 0 JIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N(C)Cc1c(F)cccc1Cl ZINC000009507097 555290948 /nfs/dbraw/zinc/29/09/48/555290948.db2.gz RMDGJVFFBGWQHN-UHFFFAOYSA-N 0 0 499.033 4.027 50 0 JIAARN COc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)s1 ZINC000009508200 555294248 /nfs/dbraw/zinc/29/42/48/555294248.db2.gz XCYPUKAVMMJVBS-OAHLLOKOSA-N 0 0 496.618 4.207 50 0 JIAARN Cc1cc(C)c2nc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3C)cc(C)c2c1 ZINC000009508243 555294256 /nfs/dbraw/zinc/29/42/56/555294256.db2.gz XTDYPEFGIKHYKN-UHFFFAOYSA-N 0 0 499.658 4.220 50 0 JIAARN COc1ccccc1C(=O)Nc1ccc(N2CCOCC2)c(NC(=O)c2ccccc2OC)c1 ZINC000009510548 555300065 /nfs/dbraw/zinc/30/00/65/555300065.db2.gz JUKVELCXTVNEMR-UHFFFAOYSA-N 0 0 461.518 4.045 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc43)CC2)c1C ZINC000009511973 555301476 /nfs/dbraw/zinc/30/14/76/555301476.db2.gz NLDDMUXCUZLTIE-UHFFFAOYSA-N 0 0 452.558 4.024 50 0 JIAARN COc1cccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000009512554 555302674 /nfs/dbraw/zinc/30/26/74/555302674.db2.gz CMESUEQIMUPPBQ-DEOSSOPVSA-N 0 0 483.678 4.193 50 0 JIAARN COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000009514378 555305017 /nfs/dbraw/zinc/30/50/17/555305017.db2.gz PVAPPNSHCNXYOB-SFHVURJKSA-N 0 0 450.560 4.107 50 0 JIAARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)cc1 ZINC000009514885 555305713 /nfs/dbraw/zinc/30/57/13/555305713.db2.gz RRXHPAWXCNKYAF-HXUWFJFHSA-N 0 0 473.371 4.183 50 0 JIAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000009516255 555307834 /nfs/dbraw/zinc/30/78/34/555307834.db2.gz ZPFJTFCJUALOIT-UHFFFAOYSA-N 0 0 474.586 4.029 50 0 JIAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000009516660 555308796 /nfs/dbraw/zinc/30/87/96/555308796.db2.gz FNONCGKUGNJRSA-UHFFFAOYSA-N 0 0 490.560 4.200 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1C ZINC000009517753 555310728 /nfs/dbraw/zinc/31/07/28/555310728.db2.gz NPSSWVMYKHMRPH-UHFFFAOYSA-N 0 0 461.547 4.340 50 0 JIAARN Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4c3cccc(Cl)c3C)n(C)c2=O)c1 ZINC000009519287 555315852 /nfs/dbraw/zinc/31/58/52/555315852.db2.gz XBPTVCKEPJQNSY-MRXNPFEDSA-N 0 0 463.969 4.003 50 0 JIAARN Cc1cc(C)cc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCCCC3)c3ccccc23)c1 ZINC000009519795 555317928 /nfs/dbraw/zinc/31/79/28/555317928.db2.gz JDKHIPFQTIZOQT-UHFFFAOYSA-N 0 0 481.618 4.073 50 0 JIAARN Cc1ccc(C(=O)OCc2nc3ccc(Cl)cc3n2CCO)cc1NC(=O)c1ccco1 ZINC000009520637 555318625 /nfs/dbraw/zinc/31/86/25/555318625.db2.gz LROMMYZSZYHARY-UHFFFAOYSA-N 0 0 453.882 4.193 50 0 JIAARN Cn1c2ccccc2c([C@@H]2c3ccccc3C(=O)N2CC(=O)N2CCOCC2)c1-c1ccc(F)cc1 ZINC000009526146 555320119 /nfs/dbraw/zinc/32/01/19/555320119.db2.gz XLIJKOXKWFMESL-NDEPHWFRSA-N 0 0 483.543 4.388 50 0 JIAARN CCCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)N[C@H](C)CCc1ccccc1 ZINC000009530333 555325009 /nfs/dbraw/zinc/32/50/09/555325009.db2.gz RSFYUIBMUJOVEW-GOSISDBHSA-N 0 0 459.637 4.222 50 0 JIAARN O=C(C[C@@]1(O)C(=O)N(Cc2cccs2)c2ccc(Cl)cc21)c1ccc2c(c1)OCCO2 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/nfs/dbraw/zinc/51/98/37/555519837.db2.gz VTMYPGZHTPHVPW-UHFFFAOYSA-N 0 0 483.981 4.034 50 0 JIAARN O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000009819348 555523011 /nfs/dbraw/zinc/52/30/11/555523011.db2.gz IYVHPZVQWGMJDS-UHFFFAOYSA-N 0 0 486.395 4.047 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c1 ZINC000009822967 555524390 /nfs/dbraw/zinc/52/43/90/555524390.db2.gz LDKXFQLTGFORRF-UHFFFAOYSA-N 0 0 498.561 4.432 50 0 JIAARN COc1ccc2[nH]cc(CCNC(=O)COc3cc4oc(=O)c(C)c(C)c4cc3Cl)c2c1 ZINC000013593528 555528779 /nfs/dbraw/zinc/52/87/79/555528779.db2.gz TVFQJJMRNAPSSF-UHFFFAOYSA-N 0 0 454.910 4.291 50 0 JIAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c(=O)n3Cc2cccc(C)c2)C1 ZINC000009830582 555530509 /nfs/dbraw/zinc/53/05/09/555530509.db2.gz LSVMXFTXMOSLOP-UHFFFAOYSA-N 0 0 479.989 4.129 50 0 JIAARN Cc1ccc(SCCNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000013602928 555530757 /nfs/dbraw/zinc/53/07/57/555530757.db2.gz DVVWVIRKMLKFCV-UHFFFAOYSA-N 0 0 454.617 4.407 50 0 JIAARN Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H](c2ccco2)N2CCOCC2)cc1 ZINC000019897858 555533556 /nfs/dbraw/zinc/53/35/56/555533556.db2.gz IOLDLDUUIPURCJ-SQJMNOBHSA-N 0 0 470.525 4.313 50 0 JIAARN Cc1ccc(NC(=O)CCc2nnc3ccc(N4CCN(c5cccc(C)c5)[C@H](C)C4)nn32)cc1 ZINC000009831661 555534388 /nfs/dbraw/zinc/53/43/88/555534388.db2.gz OBYAFOCMXDUAOB-OAQYLSRUSA-N 0 0 469.593 4.028 50 0 JIAARN O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncc21 ZINC000019899856 555535176 /nfs/dbraw/zinc/53/51/76/555535176.db2.gz LVJDULOZDJJDPQ-IBGZPJMESA-N 0 0 476.964 4.094 50 0 JIAARN CC(C)Oc1ccc(C(=O)N(c2ccc(Br)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000009834081 555536996 /nfs/dbraw/zinc/53/69/96/555536996.db2.gz BPZLIGAHWNDGAR-SFHVURJKSA-N 0 0 450.354 4.194 50 0 JIAARN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2Cl)cc1 ZINC000009834029 555537041 /nfs/dbraw/zinc/53/70/41/555537041.db2.gz HQADIKBGMONGFR-UHFFFAOYSA-N 0 0 485.993 4.112 50 0 JIAARN Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)CN4C[C@@H](C)O[C@H](C)C4)ccc3c2=O)c1 ZINC000019912262 555538243 /nfs/dbraw/zinc/53/82/43/555538243.db2.gz HWWPDKXFKAZFQL-VAMGGRTRSA-N 0 0 453.535 4.051 50 0 JIAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCC(C(N)=O)CC1)occ3-c1ccc(F)cc1 ZINC000013627651 555539949 /nfs/dbraw/zinc/53/99/49/555539949.db2.gz YVFURWOKKVFKOY-UHFFFAOYSA-N 0 0 476.504 4.310 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)N[C@@H](CCSC)C(=O)N[C@H]1CCCc3ccccc31)CC2 ZINC000013629852 555541218 /nfs/dbraw/zinc/54/12/18/555541218.db2.gz PKIKNWRPYIGDSH-GOTSBHOMSA-N 0 0 497.661 4.087 50 0 biogenic JIAARN Cc1noc(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1F)c1ccc(C)cc1 ZINC000009837858 555542437 /nfs/dbraw/zinc/54/24/37/555542437.db2.gz WJYIDAMGHPFYEH-UHFFFAOYSA-N 0 0 451.907 4.226 50 0 JIAARN COC[C@H](C)n1c(C)cc(C(=O)COC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1C ZINC000009838067 555542632 /nfs/dbraw/zinc/54/26/32/555542632.db2.gz AUMJUYNNIOVICN-KRWDZBQOSA-N 0 0 468.550 4.465 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)c(C)c1 ZINC000019929669 555546845 /nfs/dbraw/zinc/54/68/45/555546845.db2.gz HTSUSTPFUPDNFC-UHFFFAOYSA-N 0 0 479.602 4.189 50 0 JIAARN CCCn1c2ccccc2nc1NC(=O)c1cc(-c2c(C)nn(C)c2C)nc2c1c(C)nn2C ZINC000013640572 555547294 /nfs/dbraw/zinc/54/72/94/555547294.db2.gz GVCDCMVMJSRCJM-UHFFFAOYSA-N 0 0 456.554 4.306 50 0 JIAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccc(F)cc1 ZINC000009856872 555557553 /nfs/dbraw/zinc/55/75/53/555557553.db2.gz LZXLCHKSPCXHFC-UHFFFAOYSA-N 0 0 494.544 4.319 50 0 JIAARN CCOc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)c3ccccc32)cc1 ZINC000009856953 555557768 /nfs/dbraw/zinc/55/77/68/555557768.db2.gz CLSKTVFSCJONRU-UHFFFAOYSA-N 0 0 490.581 4.489 50 0 JIAARN Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3cccc(C)c3)c3ccc(F)cc3c2=O)cc1 ZINC000009857152 555558025 /nfs/dbraw/zinc/55/80/25/555558025.db2.gz UBCYCHGQQKOWEC-UHFFFAOYSA-N 0 0 464.518 4.229 50 0 JIAARN CCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000009857310 555558706 /nfs/dbraw/zinc/55/87/06/555558706.db2.gz XJIYDVNULNKDQB-UHFFFAOYSA-N 0 0 464.518 4.175 50 0 JIAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000009971386 555569446 /nfs/dbraw/zinc/56/94/46/555569446.db2.gz RATZFJIPNRXOEA-KRWDZBQOSA-N 0 0 487.405 4.248 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccc(Br)cc2Cl)c1 ZINC000009983097 555582544 /nfs/dbraw/zinc/58/25/44/555582544.db2.gz SJWBYALVIUEXFR-UHFFFAOYSA-N 0 0 482.183 4.024 50 0 JIAARN CS(=O)(=O)c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000009984399 555583617 /nfs/dbraw/zinc/58/36/17/555583617.db2.gz IYEZSOIIDYDGOT-UHFFFAOYSA-N 0 0 458.536 4.212 50 0 JIAARN COc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)N3CCN(c4ccccn4)CC3)cc1)c2=O ZINC000013690193 555583821 /nfs/dbraw/zinc/58/38/21/555583821.db2.gz YQBXGLZGIGIQPZ-UHFFFAOYSA-N 0 0 471.513 4.260 50 0 JIAARN Cc1cc(C(=O)COC(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1CCc1ccc(F)cc1 ZINC000009987742 555586571 /nfs/dbraw/zinc/58/65/71/555586571.db2.gz FHBZCBZDHXOALT-UHFFFAOYSA-N 0 0 478.442 4.093 50 0 JIAARN COc1cccc(-n2c(SCC(=O)Nc3ccc(C(C)=O)cc3)nc3ccccc3c2=O)c1 ZINC000009988291 555586837 /nfs/dbraw/zinc/58/68/37/555586837.db2.gz BYCOETVLBIXDID-UHFFFAOYSA-N 0 0 459.527 4.328 50 0 JIAARN COc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1)C(C)C ZINC000009996195 555589598 /nfs/dbraw/zinc/58/95/98/555589598.db2.gz XAKHBQFQAFVSGM-QHCPKHFHSA-N 0 0 461.566 4.073 50 0 JIAARN Cc1nn(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)c(C)c1Sc1ccc(C)cc1 ZINC000010007553 555591523 /nfs/dbraw/zinc/59/15/23/555591523.db2.gz BRCYJCWPUYCMCP-OAQYLSRUSA-N 0 0 455.605 4.453 50 0 JIAARN Cc1c2ccc3c(c2oc(=O)c1-c1ccc(Cl)cc1)CN(CCCN1CCOCC1)CO3 ZINC000013721459 555597163 /nfs/dbraw/zinc/59/71/63/555597163.db2.gz REYYTEYNVLZMDZ-UHFFFAOYSA-N 0 0 454.954 4.296 50 0 JIAARN C[C@@H](OC(=O)[C@H](C)NC(=O)c1ccccc1Cl)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000010021843 555597480 /nfs/dbraw/zinc/59/74/80/555597480.db2.gz XOLPIYOQAOYBKW-ZWKOTPCHSA-N 0 0 464.949 4.296 50 0 JIAARN CC(C)[C@H](NC(=O)CSc1nnc(Cc2ccccc2)o1)c1ccc2c(c1)OCCCO2 ZINC000010025050 555599333 /nfs/dbraw/zinc/59/93/33/555599333.db2.gz VRCOQQKHXJBBRT-QHCPKHFHSA-N 0 0 453.564 4.427 50 0 JIAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)NN4C(=O)N[C@@](C)(CCc5ccccc5)C4=O)cc3)o2)cc1 ZINC000010029156 555600559 /nfs/dbraw/zinc/60/05/59/555600559.db2.gz QIHFIAPZZHEREE-NDEPHWFRSA-N 0 0 495.539 4.300 50 0 JIAARN CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(Br)s2)C1=O ZINC000010030378 555600751 /nfs/dbraw/zinc/60/07/51/555600751.db2.gz REUNHQIYTWDJHQ-IBGZPJMESA-N 0 0 453.333 4.470 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C(=O)NC(C)C)cc2)cc1 ZINC000010034885 555602003 /nfs/dbraw/zinc/60/20/03/555602003.db2.gz BOBVMKBGDIMBBR-UHFFFAOYSA-N 0 0 465.575 4.211 50 0 JIAARN COc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3cccc(Br)c3)C2=O)cc1OC ZINC000010059209 555609391 /nfs/dbraw/zinc/60/93/91/555609391.db2.gz GRWGYWFCRKHRNZ-RUZDIDTESA-N 0 0 496.357 4.474 50 0 JIAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000013765299 555613115 /nfs/dbraw/zinc/61/31/15/555613115.db2.gz MNULFOFXZMLJKP-VOSMRYOYSA-N 0 0 481.017 4.359 50 0 JIAARN CN(C)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000010065938 555613840 /nfs/dbraw/zinc/61/38/40/555613840.db2.gz RRGJRSBRKUYUGR-UHFFFAOYSA-N 0 0 473.554 4.464 50 0 JIAARN CCOC(=O)C1=C(CN2CCN(c3cc(Cl)ccc3C)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000020045837 555616598 /nfs/dbraw/zinc/61/65/98/555616598.db2.gz GSXILVYBMZNMDE-RUZDIDTESA-N 0 0 497.039 4.374 50 0 JIAARN CCN(C(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1-c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000010087473 555617313 /nfs/dbraw/zinc/61/73/13/555617313.db2.gz PNRPWTGOEIIQTA-QUCCMNQESA-N 0 0 499.658 4.064 50 0 JIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1CCCN1CCOCC1)c1nnc(-c2ccccc2)o1 ZINC000020057117 555620294 /nfs/dbraw/zinc/62/02/94/555620294.db2.gz GXHWGKRAJZSHGF-GOSISDBHSA-N 0 0 477.590 4.022 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)cc4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000013801408 555621898 /nfs/dbraw/zinc/62/18/98/555621898.db2.gz AWFSQRGYRDEXCB-WLGHQHAYSA-N 0 0 488.540 4.197 50 0 JIAARN COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)NCc2ccc(C)cc2)cc1 ZINC000020069114 555625962 /nfs/dbraw/zinc/62/59/62/555625962.db2.gz NFXYEWKGOGYLES-GOTSBHOMSA-N 0 0 471.586 4.338 50 0 JIAARN COc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000010119463 555630651 /nfs/dbraw/zinc/63/06/51/555630651.db2.gz HIXJHTNSBXDGCD-UHFFFAOYSA-N 0 0 487.375 4.461 50 0 JIAARN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(Cl)cc1 ZINC000013847481 555634259 /nfs/dbraw/zinc/63/42/59/555634259.db2.gz KKNQKHRSGPPLEA-UHFFFAOYSA-N 0 0 489.981 4.048 50 0 JIAARN O=C(Cc1c[nH]c2ccccc12)N(C[C@H]1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1 ZINC000010131281 555635471 /nfs/dbraw/zinc/63/54/71/555635471.db2.gz INHTVBLSAFUBDZ-JOCHJYFZSA-N 0 0 451.611 4.480 50 0 JIAARN COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)Cc1ccccc1 ZINC000013858193 555636486 /nfs/dbraw/zinc/63/64/86/555636486.db2.gz UFAQWNZIZYKDQR-UHFFFAOYSA-N 0 0 485.005 4.124 50 0 JIAARN CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000013880170 555638793 /nfs/dbraw/zinc/63/87/93/555638793.db2.gz SIXKRCGMCACWEK-SFHVURJKSA-N 0 0 472.640 4.229 50 0 JIAARN CNC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000010165927 555638803 /nfs/dbraw/zinc/63/88/03/555638803.db2.gz XYDROFOPHBZSOQ-UHFFFAOYSA-N 0 0 483.615 4.118 50 0 JIAARN CCOc1ccc(CN(C)C(=O)COC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1 ZINC000010166120 555638811 /nfs/dbraw/zinc/63/88/11/555638811.db2.gz BZUUDAGSPINAKZ-UHFFFAOYSA-N 0 0 459.905 4.187 50 0 JIAARN CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OCC ZINC000013881021 555639434 /nfs/dbraw/zinc/63/94/34/555639434.db2.gz AWOOFIDIHRGLIB-FYJGNVAPSA-N 0 0 498.557 4.011 50 0 JIAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000010186815 555640667 /nfs/dbraw/zinc/64/06/67/555640667.db2.gz VXTXGEFVOAVBNT-UHFFFAOYSA-N 0 0 466.588 4.331 50 0 JIAARN COc1ccc(C)c2sc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)nc21 ZINC000010186934 555641122 /nfs/dbraw/zinc/64/11/22/555641122.db2.gz WRAWXEXPSOFITJ-UHFFFAOYSA-N 0 0 486.040 4.368 50 0 JIAARN O=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000010186915 555641178 /nfs/dbraw/zinc/64/11/78/555641178.db2.gz MUCHTJOLHZQKEJ-UHFFFAOYSA-N 0 0 463.806 4.203 50 0 JIAARN C[C@@H]1CC(C)(C)NC(=S)N1CC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020107445 555641237 /nfs/dbraw/zinc/64/12/37/555641237.db2.gz CJZSNIKYQDIZDJ-DVECYGJZSA-N 0 0 485.097 4.321 50 0 JIAARN Cc1cccc2sc(N(Cc3ccccn3)C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)nc21 ZINC000010187130 555642471 /nfs/dbraw/zinc/64/24/71/555642471.db2.gz MIMBZOCRVDTWAK-SFHVURJKSA-N 0 0 498.655 4.448 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)Cc2c(F)cccc2Cl)cc1 ZINC000013895484 555642830 /nfs/dbraw/zinc/64/28/30/555642830.db2.gz BNROBRCUXVEDGJ-UHFFFAOYSA-N 0 0 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ZINC000015019264 555860558 /nfs/dbraw/zinc/86/05/58/555860558.db2.gz JEMVDAXZPDUKCK-INIZCTEOSA-N 0 0 473.558 4.186 50 0 JIAARN CCc1ccc2oc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)cc(=O)c2c1 ZINC000011914303 555864917 /nfs/dbraw/zinc/86/49/17/555864917.db2.gz XLVVDBUHHDKNJC-OAHLLOKOSA-N 0 0 466.559 4.067 50 0 JIAARN CCCn1c(COC(=O)CCC(=O)c2cc(C)sc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000022040685 555865502 /nfs/dbraw/zinc/86/55/02/555865502.db2.gz CXVAYLVMNDQDPH-UHFFFAOYSA-N 0 0 491.635 4.081 50 0 JIAARN COc1ccc(C(=O)N(Cc2ccc(-c3cccc(Cl)c3)o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011914952 555865509 /nfs/dbraw/zinc/86/55/09/555865509.db2.gz RKHDHNIQYDDGKX-LJQANCHMSA-N 0 0 459.951 4.438 50 0 JIAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccccc2)c(C(=O)Nc2ccccc2)n1 ZINC000011914692 555865540 /nfs/dbraw/zinc/86/55/40/555865540.db2.gz CEKQNUZAHDCXKK-UHFFFAOYSA-N 0 0 476.558 4.322 50 0 JIAARN COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)no2)cc1 ZINC000011915043 555865878 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YSMVHCJUCLABDF-DEOSSOPVSA-N 0 0 477.605 4.377 50 0 JIAARN CCC(=O)N1c2ccccc2[C@@]2(SCC(=O)N2c2ccc(OCc3ccccc3)cc2)C1=O ZINC000015083246 555873859 /nfs/dbraw/zinc/87/38/59/555873859.db2.gz KYQWDWSBJVZNLE-AREMUKBSSA-N 0 0 458.539 4.482 50 0 JIAARN Cc1cc(C)n(Cc2ccc(C(=O)NC[C@@H]3Cc4cc(Cl)cc(-c5ncccn5)c4O3)cc2)n1 ZINC000011974123 555875304 /nfs/dbraw/zinc/87/53/04/555875304.db2.gz WWJNRCPAZNWZHN-QFIPXVFZSA-N 0 0 473.964 4.392 50 0 JIAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccc(Br)cc1Br ZINC000015096242 555876350 /nfs/dbraw/zinc/87/63/50/555876350.db2.gz JUVYHHOCUIDPDY-ZDUSSCGKSA-N 0 0 494.187 4.391 50 0 JIAARN O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c1)c1cccs1 ZINC000015100466 555876767 /nfs/dbraw/zinc/87/67/67/555876767.db2.gz IBLSFCBGZGDYRA-UHFFFAOYSA-N 0 0 483.493 4.093 50 0 JIAARN CCCCc1c(-c2ccccc2)n(-c2cccc(Cl)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000015106337 555877068 /nfs/dbraw/zinc/87/70/68/555877068.db2.gz NQOVNGPRWPTNQG-UHFFFAOYSA-N 0 0 461.953 4.339 50 0 JIAARN O=C(CSc1ccccc1)Nc1cnn(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000011997923 555880031 /nfs/dbraw/zinc/88/00/31/555880031.db2.gz LHJAKUMSSRMRIB-UHFFFAOYSA-N 0 0 475.574 4.161 50 0 JIAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)c12 ZINC000022137456 555881097 /nfs/dbraw/zinc/88/10/97/555881097.db2.gz MVYBEGWFCDXJAZ-SFHVURJKSA-N 0 0 451.534 4.358 50 0 JIAARN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N[C@@H](C)c3ccc(F)cc3)c2c1C ZINC000015169127 555881818 /nfs/dbraw/zinc/88/18/18/555881818.db2.gz PZYSLYYCBVGJIH-HNNXBMFYSA-N 0 0 458.559 4.321 50 0 JIAARN O=C(COc1ccc(Br)cc1Cl)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000015175638 555882078 /nfs/dbraw/zinc/88/20/78/555882078.db2.gz DFWSKSHZQKLTHD-UHFFFAOYSA-N 0 0 495.757 4.087 50 0 JIAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000015175579 555882110 /nfs/dbraw/zinc/88/21/10/555882110.db2.gz BRNWNOZRAMJFLV-UHFFFAOYSA-N 0 0 466.925 4.054 50 0 JIAARN O=C(CCC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1)c1ccc2c(c1)OCCCO2 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CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](C)Sc4ccccc43)CC2)cc1 ZINC000022256965 555904928 /nfs/dbraw/zinc/90/49/28/555904928.db2.gz BIWGDMVQROXSPL-SFHVURJKSA-N 0 0 474.648 4.404 50 0 JIAARN COc1ccc([C@@H]2C(=O)N(c3cc(OC)ccc3OC)CC(=O)N2c2ccc(C)cc2C)cc1 ZINC000015412834 555904993 /nfs/dbraw/zinc/90/49/93/555904993.db2.gz SJYPQCOWALDMLP-AREMUKBSSA-N 0 0 460.530 4.450 50 0 JIAARN O=C(/C=C/c1cccc(F)c1)NCc1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1 ZINC000012098347 555905408 /nfs/dbraw/zinc/90/54/08/555905408.db2.gz ISZFKMGTYOTRFH-RJRNSMGGSA-N 0 0 452.555 4.066 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ncccc3O)c2)cc1Br ZINC000022264609 555906750 /nfs/dbraw/zinc/90/67/50/555906750.db2.gz BTYYNJMHUQSLCZ-UHFFFAOYSA-N 0 0 492.351 4.002 50 0 JIAARN Cc1ccc2[nH]c(SCC(=O)NC[C@@H]3Cc4cccc(-c5nc(C)cnc5C)c4O3)nc2c1 ZINC000012126472 555910282 /nfs/dbraw/zinc/91/02/82/555910282.db2.gz LQLLMRPNOOIPGS-SFHVURJKSA-N 0 0 459.575 4.157 50 0 JIAARN Cc1cc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)c(C(C)C)cc1Cl 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/nfs/dbraw/zinc/91/61/80/555916180.db2.gz HPGWKIVCNODCKS-SNVBAGLBSA-N 0 0 482.653 4.369 50 0 JIAARN COc1cc(CN[C@@H](C)c2nnc3ccccn32)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000015594148 555917758 /nfs/dbraw/zinc/91/77/58/555917758.db2.gz ZFHLCNHHOUJFMG-HNNXBMFYSA-N 0 0 483.931 4.399 50 0 JIAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cc(C)ccc3Br)c2)cn1 ZINC000015617220 555919662 /nfs/dbraw/zinc/91/96/62/555919662.db2.gz NBFBQDGLJJWHCQ-UHFFFAOYSA-N 0 0 476.352 4.214 50 0 JIAARN COc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000015620214 555920101 /nfs/dbraw/zinc/92/01/01/555920101.db2.gz GBMFRKRZFSZSIA-UHFFFAOYSA-N 0 0 485.631 4.109 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(Cn3c4ccccc4nc3SCC(C)C)CC2)cc1 ZINC000015634496 555920676 /nfs/dbraw/zinc/92/06/76/555920676.db2.gz IFRGLACUELPRIP-UHFFFAOYSA-N 0 0 458.653 4.057 50 0 JIAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000015638912 555921207 /nfs/dbraw/zinc/92/12/07/555921207.db2.gz AUJLQTLRTBTOKC-IBGZPJMESA-N 0 0 466.969 4.363 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(Br)o2)c1 ZINC000015643116 555921647 /nfs/dbraw/zinc/92/16/47/555921647.db2.gz YMHBAUJJPFIICD-UHFFFAOYSA-N 0 0 484.416 4.315 50 0 JIAARN Oc1ccc(N2CCN(c3nc(CN4CCOCC4)nc4scc(-c5cccs5)c43)CC2)cc1 ZINC000022341491 555923211 /nfs/dbraw/zinc/92/32/11/555923211.db2.gz GXBPMBZSRBQAIK-UHFFFAOYSA-N 0 0 493.658 4.284 50 0 JIAARN COc1cccc(C2=N/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)cc3)C(=O)O2)c1 ZINC000022364263 555925933 /nfs/dbraw/zinc/92/59/33/555925933.db2.gz XWOOCWXWMMWAAF-BKUYFWCQSA-N 0 0 469.902 4.461 50 0 JIAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccccc3Br)n2)c1 ZINC000015670520 555926544 /nfs/dbraw/zinc/92/65/44/555926544.db2.gz LUATWBLPBZBMLO-QGZVFWFLSA-N 0 0 491.349 4.278 50 0 JIAARN COc1ccc(CCNc2ncnc3sc(C(=O)NCCc4ccncc4)c(C)c32)cc1OC ZINC000012152626 555926666 /nfs/dbraw/zinc/92/66/66/555926666.db2.gz WVOHQOAGHRBTQL-UHFFFAOYSA-N 0 0 477.590 4.039 50 0 JIAARN CCCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccc(F)cc2)n1 ZINC000015670575 555926835 /nfs/dbraw/zinc/92/68/35/555926835.db2.gz HTHCNVVHSGQHOL-LJQANCHMSA-N 0 0 458.497 4.435 50 0 JIAARN O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1CCCN1CCOCC1 ZINC000022385739 555928513 /nfs/dbraw/zinc/92/85/13/555928513.db2.gz AGUUPMHAITZNAU-UHFFFAOYSA-N 0 0 463.525 4.430 50 0 JIAARN COc1cccc(C[C@H](C2CCN(C(=O)c3cccc(C)n3)CC2)N(C)C(=O)CCSC)c1 ZINC000012158621 555929497 /nfs/dbraw/zinc/92/94/97/555929497.db2.gz QNONARUHSRPNDS-XMMPIXPASA-N 0 0 469.651 4.074 50 0 JIAARN NC(=O)CCc1nnc(SCc2cn(-c3ccccc3)nc2-c2ccccc2)n1Cc1ccco1 ZINC000022408207 555929958 /nfs/dbraw/zinc/92/99/58/555929958.db2.gz VJDUXHMGPSHYHX-UHFFFAOYSA-N 0 0 484.585 4.482 50 0 JIAARN COCC(=O)Nc1cc(C(=O)N(C)CCOc2ccc(C)cc2)cc2nc(-c3ccccc3)n(C)c21 ZINC000012160764 555930904 /nfs/dbraw/zinc/93/09/04/555930904.db2.gz YBRVQZIXWLRBNN-UHFFFAOYSA-N 0 0 486.572 4.285 50 0 JIAARN Cc1csc([C@@H](C)N(C)C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C)C2=O)n1 ZINC000012166335 555933136 /nfs/dbraw/zinc/93/31/36/555933136.db2.gz PZNNIUGLAXEYHA-DWXRJYCRSA-N 0 0 461.587 4.355 50 0 JIAARN COc1ccc(-c2nc(S[C@H](CC(=O)NC[C@@H]3CCCO3)c3ccc(OC)cc3)n[nH]2)cc1 ZINC000012176626 555934384 /nfs/dbraw/zinc/93/43/84/555934384.db2.gz JIRXCQHFECQSAH-LEWJYISDSA-N 0 0 468.579 4.008 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)C(=O)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12 ZINC000012180310 555934628 /nfs/dbraw/zinc/93/46/28/555934628.db2.gz ZVKLDBGQIJFPFE-UHFFFAOYSA-N 0 0 474.373 4.370 50 0 JIAARN COc1ccc(N2C[C@H](NC(=O)N(Cc3ccccc3)Cc3ccccc3)CC2=O)cc1OC ZINC000012180294 555934697 /nfs/dbraw/zinc/93/46/97/555934697.db2.gz VNCHNXXKVYKXFD-JOCHJYFZSA-N 0 0 459.546 4.221 50 0 JIAARN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(OCC(C)C)cc3)cc21 ZINC000012180636 555934881 /nfs/dbraw/zinc/93/48/81/555934881.db2.gz KQESOSVWWWYOIN-UHFFFAOYSA-N 0 0 466.625 4.015 50 0 JIAARN COc1ccc(CNC(=O)c2cnn(-c3nccc(-c4ccccc4OC)n3)c2C2CC2)cc1 ZINC000012190592 555937768 /nfs/dbraw/zinc/93/77/68/555937768.db2.gz CAAPXLQOUXEMHP-UHFFFAOYSA-N 0 0 455.518 4.154 50 0 JIAARN COc1ccc(N2C(=O)c3cc(C4CC4)nn3C[C@@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000015676636 555938821 /nfs/dbraw/zinc/93/88/21/555938821.db2.gz OVKILTITNSCEET-SANMLTNESA-N 0 0 450.583 4.417 50 0 JIAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCCCC2)N(C[C@@H]2CCCO2)C3=O)cc1 ZINC000015676774 555939894 /nfs/dbraw/zinc/93/98/94/555939894.db2.gz LXXLIWHGQYVADY-NEKDWFFYSA-N 0 0 494.636 4.181 50 0 JIAARN CCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)CCC(F)(F)F)CC2)[C@H]1OCc1cccnc1 ZINC000012212183 555943409 /nfs/dbraw/zinc/94/34/09/555943409.db2.gz WNASUAILHAQJKU-RPWUZVMVSA-N 0 0 489.538 4.451 50 0 JIAARN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC000022708083 555944444 /nfs/dbraw/zinc/94/44/44/555944444.db2.gz AIJSPLXFGFQHNU-MRVPVSSYSA-N 0 0 472.419 4.414 50 0 JIAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nn4cc(-c5ccc(C)cc5)nc4s3)C2)cc1 ZINC000015679492 555945369 /nfs/dbraw/zinc/94/53/69/555945369.db2.gz KABNQMNIGHEKCN-HXUWFJFHSA-N 0 0 461.591 4.308 50 0 JIAARN CC(=O)Nc1nsc(NC(=O)c2nnn(-c3ccc4noc(-c5ccc(Cl)cc5)c4c3)c2C)n1 ZINC000012274513 555948024 /nfs/dbraw/zinc/94/80/24/555948024.db2.gz TXOWOHGBMPMUGN-UHFFFAOYSA-N 0 0 494.924 4.100 50 0 JIAARN COc1ccc(-c2noc(CSCC(=O)N3CCN(c4ccc(C)cc4)[C@@H](C)C3)n2)cc1 ZINC000015681033 555949836 /nfs/dbraw/zinc/94/98/36/555949836.db2.gz QIAUADRIDGLKIR-SFHVURJKSA-N 0 0 452.580 4.024 50 0 JIAARN O=C(Nc1cccc(F)c1)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 ZINC000015681611 555950923 /nfs/dbraw/zinc/95/09/23/555950923.db2.gz QIVCXOFESURIEH-SFHVURJKSA-N 0 0 475.499 4.432 50 0 JIAARN Cc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3cnn(-c4ccc(F)cc4)c3-n3cccc3)C2)cc1 ZINC000015681613 555950951 /nfs/dbraw/zinc/95/09/51/555950951.db2.gz SOYZVFSSNUDBIR-QFIPXVFZSA-N 0 0 485.563 4.279 50 0 JIAARN Cc1oc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)nc1CSc1ccccc1 ZINC000015682228 555951492 /nfs/dbraw/zinc/95/14/92/555951492.db2.gz CFNDRKHVNWHPAY-UHFFFAOYSA-N 0 0 451.592 4.394 50 0 JIAARN Cc1c(=O)c2cccc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)c2oc1-c1ccccc1 ZINC000015718395 555954440 /nfs/dbraw/zinc/95/44/40/555954440.db2.gz ZRMJRCFRQKDTTR-UHFFFAOYSA-N 0 0 488.565 4.222 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-n2cccc2)cc1 ZINC000012342322 555954875 /nfs/dbraw/zinc/95/48/75/555954875.db2.gz MVGRZOQWSVYQST-UHFFFAOYSA-N 0 0 467.938 4.229 50 0 JIAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1ccc(Br)o1 ZINC000012342549 555955495 /nfs/dbraw/zinc/95/54/95/555955495.db2.gz CKDAGZKSLSURKP-UHFFFAOYSA-N 0 0 467.366 4.497 50 0 JIAARN COc1ccc(OC)c([C@@H]2c3cccn3CCN2C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000012344347 555956016 /nfs/dbraw/zinc/95/60/16/555956016.db2.gz ONKSAYLVLSUTQD-HSZRJFAPSA-N 0 0 467.522 4.168 50 0 JIAARN O=C(Cn1c2ccccc2nc1-c1cncs1)Nc1ccccc1I ZINC000012360409 555957227 /nfs/dbraw/zinc/95/72/27/555957227.db2.gz OHCAXMVXCNHVAK-UHFFFAOYSA-N 0 0 460.300 4.403 50 0 JIAARN O=C1C[C@H](c2ccc(F)cc2)c2c(=O)n(Cc3ccc(F)cc3)c3nc4ccccc4n3c2N1 ZINC000012360477 555957521 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CIGHVNXYQJQHBI-UHFFFAOYSA-N 0 0 455.923 4.434 50 0 JIAARN O=C(CSc1cnc2cc(S(=O)(=O)N3CCCCC3)ccc2n1)Nc1ccc(Cl)cc1 ZINC000015829756 556016360 /nfs/dbraw/zinc/01/63/60/556016360.db2.gz BSNUSMMSDYKFDA-UHFFFAOYSA-N 0 0 477.011 4.189 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nc(CN4CCCC4)cs3)cc2)cc1 ZINC000012541799 556016487 /nfs/dbraw/zinc/01/64/87/556016487.db2.gz FQLXGBFZJXVLOB-UHFFFAOYSA-N 0 0 486.619 4.191 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)cc1OC ZINC000012542017 556016825 /nfs/dbraw/zinc/01/68/25/556016825.db2.gz YWNZDHYOOFSHIJ-UHFFFAOYSA-N 0 0 473.986 4.269 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(F)c3)c12 ZINC000023128231 556016973 /nfs/dbraw/zinc/01/69/73/556016973.db2.gz XIYRXPQJAYSOOH-LJQANCHMSA-N 0 0 464.522 4.158 50 0 JIAARN Cc1ccc2oc(C(=O)N(Cc3ccc(C(C)C)cc3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000015831152 556017142 /nfs/dbraw/zinc/01/71/42/556017142.db2.gz GXTUYZOOYILRNW-FQEVSTJZSA-N 0 0 453.560 4.054 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(C)cc3)cc(C(=O)Nc3ccccc3F)c12 ZINC000023128246 556017253 /nfs/dbraw/zinc/01/72/53/556017253.db2.gz MLKXGIBIUKCONN-SFHVURJKSA-N 0 0 478.549 4.466 50 0 JIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cc(Cl)ccc2OCCCOc2cccc(C)c2)S1 ZINC000015832984 556018453 /nfs/dbraw/zinc/01/84/53/556018453.db2.gz KDDKKHKJNVZUNT-NRFANRHFSA-N 0 0 461.971 4.497 50 0 JIAARN CN(CCCNC(=O)CSc1nnc(-c2ccccc2Br)o1)c1ccccc1 ZINC000012543888 556020135 /nfs/dbraw/zinc/02/01/35/556020135.db2.gz HBVQBKALNSCFBK-UHFFFAOYSA-N 0 0 461.385 4.234 50 0 JIAARN CN(CCCNC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000012544986 556021046 /nfs/dbraw/zinc/02/10/46/556021046.db2.gz JSBQMNDPKMGRMR-UHFFFAOYSA-N 0 0 477.586 4.402 50 0 JIAARN O=C(CSc1nnc(N2CCN(c3ccc(F)cc3)CC2)s1)Nc1nc2ccccc2s1 ZINC000023139846 556021513 /nfs/dbraw/zinc/02/15/13/556021513.db2.gz KEVRJTZAYRQCNV-UHFFFAOYSA-N 0 0 486.623 4.344 50 0 JIAARN CCn1nc(SCC(=O)Nc2cccc(OC)c2)n2c1nc1c(c2=O)C(C)(C)Cc2ccccc2-1 ZINC000015839326 556022777 /nfs/dbraw/zinc/02/27/77/556022777.db2.gz SROPOEJGNGDAGN-UHFFFAOYSA-N 0 0 489.601 4.151 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc3nc(C)n(-c4ccc(Cl)cc4)c(=O)c3c2)cc1C ZINC000023144020 556022885 /nfs/dbraw/zinc/02/28/85/556022885.db2.gz OBQWBTXPGQEETP-UHFFFAOYSA-N 0 0 469.950 4.465 50 0 JIAARN Cc1ccc2c(c1)-n1c(-c3ccccc3C)c3c(c1[C@H](c1ccccc1O)O2)n(C)c(=O)n(C)c3=O ZINC000015858848 556026669 /nfs/dbraw/zinc/02/66/69/556026669.db2.gz WGSCBVGRVZKTBU-MHZLTWQESA-N 0 0 479.536 4.499 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2)cc1F ZINC000012548654 556027193 /nfs/dbraw/zinc/02/71/93/556027193.db2.gz JFDPHXPWWISOBO-UHFFFAOYSA-N 0 0 451.523 4.389 50 0 JIAARN Cc1ccc(-c2c3c(c4n2-c2ccccc2O[C@H]4c2nc4ccccc4[nH]2)n(C)c(=O)n(C)c3=O)cc1 ZINC000015858946 556027641 /nfs/dbraw/zinc/02/76/41/556027641.db2.gz GCYISDUPFDGFRZ-AREMUKBSSA-N 0 0 489.535 4.361 50 0 JIAARN O=C(CSc1ncc(C(F)(F)F)cc1Cl)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012549104 556028267 /nfs/dbraw/zinc/02/82/67/556028267.db2.gz QCTQDAQITQEYHH-UHFFFAOYSA-N 0 0 471.932 4.401 50 0 JIAARN O=C(CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)N1CC=C(c2ccccc2)CC1 ZINC000012549248 556028831 /nfs/dbraw/zinc/02/88/31/556028831.db2.gz ZIYRMBUDXYMRPM-UHFFFAOYSA-N 0 0 471.648 4.054 50 0 JIAARN CCC(=O)Nc1cccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)c1C ZINC000023184529 556029508 /nfs/dbraw/zinc/02/95/08/556029508.db2.gz VEMOKRKABNTJDM-RUZDIDTESA-N 0 0 491.613 4.406 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)N1CC(=O)Nc2ccccc21 ZINC000012550001 556030720 /nfs/dbraw/zinc/03/07/20/556030720.db2.gz ULUMUWBMBSAGEE-UHFFFAOYSA-N 0 0 473.533 4.210 50 0 JIAARN COc1ccc([C@H](NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c2nccn2C)cc1 ZINC000012550071 556030738 /nfs/dbraw/zinc/03/07/38/556030738.db2.gz DOYUWJZPFICPSX-VWLOTQADSA-N 0 0 467.529 4.175 50 0 JIAARN Cc1ccc(C)c(OCc2nnc(S[C@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)o2)c1 ZINC000023223253 556032158 /nfs/dbraw/zinc/03/21/58/556032158.db2.gz GVGPVSUDPDLVIQ-OAHLLOKOSA-N 0 0 461.565 4.000 50 0 JIAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NC1CCCCCCC1)c1cc(C)cc(C)c1 ZINC000015861075 556033499 /nfs/dbraw/zinc/03/34/99/556033499.db2.gz VOXZZZFXTZKAEJ-UHFFFAOYSA-N 0 0 460.644 4.078 50 0 JIAARN O=C(NCc1nnc2ccc(C(F)(F)F)cn21)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000023244000 556033710 /nfs/dbraw/zinc/03/37/10/556033710.db2.gz YLYQNZXLPBCDQO-UHFFFAOYSA-N 0 0 487.442 4.126 50 0 JIAARN COc1ccc(C(=O)C2CCN(C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)CC2)cc1 ZINC000012553079 556036558 /nfs/dbraw/zinc/03/65/58/556036558.db2.gz XOZHREQZWVIALE-QHCPKHFHSA-N 0 0 452.551 4.068 50 0 JIAARN CCCOc1c(Br)cc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1OC ZINC000023270215 556037360 /nfs/dbraw/zinc/03/73/60/556037360.db2.gz XAYIBFQZSVPSMS-UHFFFAOYSA-N 0 0 472.339 4.463 50 0 JIAARN O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NCCCc1ccccc1 ZINC000015863436 556037807 /nfs/dbraw/zinc/03/78/07/556037807.db2.gz WPXLEUNDXBRBJU-VWLOTQADSA-N 0 0 466.578 4.253 50 0 JIAARN CCn1cc(Cc2nnc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)s2)c2ccccc21 ZINC000015863391 556037891 /nfs/dbraw/zinc/03/78/91/556037891.db2.gz IZQBLYDVSXEFNU-UHFFFAOYSA-N 0 0 473.558 4.118 50 0 JIAARN CCN(Cn1nc(-c2ccccc2)n(-c2ccc(C)c(C)c2)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012554836 556039885 /nfs/dbraw/zinc/03/98/85/556039885.db2.gz SWKKIAKHLAWBTM-OAQYLSRUSA-N 0 0 456.637 4.154 50 0 JIAARN CCN(CC)C(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3ccccc3F)c2=O)CC1 ZINC000015864653 556040500 /nfs/dbraw/zinc/04/05/00/556040500.db2.gz DMGRQCFSYPMYGQ-UHFFFAOYSA-N 0 0 471.598 4.087 50 0 JIAARN CCN(Cn1nc(-c2ccc(C)cc2)n(-c2ccc(C)cc2)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012555532 556041023 /nfs/dbraw/zinc/04/10/23/556041023.db2.gz KQYATFVGCVKJBZ-OAQYLSRUSA-N 0 0 456.637 4.154 50 0 JIAARN CCN(Cn1nc(-c2ccc(Cl)cc2)n(-c2ccc(C)cc2)c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012555488 556041051 /nfs/dbraw/zinc/04/10/51/556041051.db2.gz NEZUUJPYJOVKMG-FQEVSTJZSA-N 0 0 477.055 4.499 50 0 JIAARN Cc1nn(C(=O)c2ccc(C(C)(C)C)cc2)c(C)c1S(=O)(=O)N1CCc2ccccc2C1 ZINC000015865214 556041133 /nfs/dbraw/zinc/04/11/33/556041133.db2.gz SUPUAXKYROSTEN-UHFFFAOYSA-N 0 0 451.592 4.233 50 0 JIAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)ccc1OC(C)C ZINC000015867974 556044146 /nfs/dbraw/zinc/04/41/46/556044146.db2.gz MTMULNBVWPPWLN-IBGZPJMESA-N 0 0 470.533 4.303 50 0 JIAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@@H](c1cccc(OC(C)C)c1)CC(=O)N2 ZINC000015867981 556044238 /nfs/dbraw/zinc/04/42/38/556044238.db2.gz ILUGOTWGIJLQER-HXUWFJFHSA-N 0 0 458.497 4.433 50 0 JIAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(OC(C)C)c3)n2)cc1 ZINC000015867984 556044454 /nfs/dbraw/zinc/04/44/54/556044454.db2.gz DZYDPVQAULQDOS-OAQYLSRUSA-N 0 0 470.533 4.303 50 0 JIAARN CCOc1ccccc1CNC(=O)[C@H](C)C1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 ZINC000015868685 556046057 /nfs/dbraw/zinc/04/60/57/556046057.db2.gz VSZQGIZQHNOCTN-GOSISDBHSA-N 0 0 463.578 4.380 50 0 JIAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3nnc(CCC(N)=O)n3C3CC3)ccc21 ZINC000012558241 556047505 /nfs/dbraw/zinc/04/75/05/556047505.db2.gz ZQRPTIPGALFZNW-OAHLLOKOSA-N 0 0 476.606 4.278 50 0 JIAARN COc1ccc(NC(=O)C2(c3ccccc3)CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cn1 ZINC000012558259 556047524 /nfs/dbraw/zinc/04/75/24/556047524.db2.gz ADZLZUSNTWXWQR-UHFFFAOYSA-N 0 0 492.022 4.166 50 0 JIAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccc2c(c1)CC(=O)N2 ZINC000012558365 556047919 /nfs/dbraw/zinc/04/79/19/556047919.db2.gz FHMPKEXESYMDBS-UHFFFAOYSA-N 0 0 470.510 4.133 50 0 JIAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCCCCC1 ZINC000012558568 556048290 /nfs/dbraw/zinc/04/82/90/556048290.db2.gz GSCYJIGGAGTSPK-YADARESESA-N 0 0 465.594 4.495 50 0 JIAARN CC(C)(C)c1nc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)NC[C@H]4CCCO4)c3)ccc2[nH]1 ZINC000012558843 556048901 /nfs/dbraw/zinc/04/89/01/556048901.db2.gz GIYICCDLBPQFNO-MRXNPFEDSA-N 0 0 491.013 4.223 50 0 JIAARN COc1cccc(NC(=O)COc2ccc(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)cc2)c1 ZINC000023384514 556050619 /nfs/dbraw/zinc/05/06/19/556050619.db2.gz LXPKBBNGGQWIEC-MHZLTWQESA-N 0 0 474.557 4.299 50 0 JIAARN COc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3F)n3c4ccccc4nc32)cc1 ZINC000023411658 556052464 /nfs/dbraw/zinc/05/24/64/556052464.db2.gz VTYOTTRLXUZJSB-QHCPKHFHSA-N 0 0 458.493 4.343 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(C(=O)Cc3ccc(OC)cc3)CC2)n1 ZINC000023425996 556053497 /nfs/dbraw/zinc/05/34/97/556053497.db2.gz YGRYYBKRZRPXES-UHFFFAOYSA-N 0 0 465.525 4.281 50 0 JIAARN O=C(Nc1ccc2ccccc2c1)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br ZINC000012567041 556065631 /nfs/dbraw/zinc/06/56/31/556065631.db2.gz UYZUKTZOOPPTPN-GOSISDBHSA-N 0 0 489.391 4.312 50 0 JIAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012567630 556067152 /nfs/dbraw/zinc/06/71/52/556067152.db2.gz WKUYZWAEOKXIJR-KRWDZBQOSA-N 0 0 461.634 4.049 50 0 JIAARN CCCCN(C)C(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000015922051 556069187 /nfs/dbraw/zinc/06/91/87/556069187.db2.gz NYILEQMHCYOESK-KRWDZBQOSA-N 0 0 468.985 4.477 50 0 JIAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cccc(C)c4)c(=O)n32)cc1 ZINC000015930806 556070130 /nfs/dbraw/zinc/07/01/30/556070130.db2.gz MIQHVALKUFRANY-SANMLTNESA-N 0 0 495.604 4.191 50 0 JIAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N(C)CC(=O)Nc3ccccc3Cl)c(=O)c12 ZINC000012568982 556070690 /nfs/dbraw/zinc/07/06/90/556070690.db2.gz CGFJATPIKSDZRD-UHFFFAOYSA-N 0 0 480.977 4.184 50 0 JIAARN O=C(c1ccc2ncsc2c1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000015933002 556071331 /nfs/dbraw/zinc/07/13/31/556071331.db2.gz GGVAKHKVZOATEN-UHFFFAOYSA-N 0 0 489.928 4.115 50 0 JIAARN Cc1ccc(NC(=O)CSCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 ZINC000012569239 556071386 /nfs/dbraw/zinc/07/13/86/556071386.db2.gz OFGBQDYTJNLWCX-XMSQKQJNSA-N 0 0 454.592 4.101 50 0 JIAARN COc1ccc(CNC(=O)c2cccnc2N2CCN(C(=O)c3oc4ccccc4c3C)CC2)cc1 ZINC000023462122 556072753 /nfs/dbraw/zinc/07/27/53/556072753.db2.gz VXQWXGDARHVFLP-UHFFFAOYSA-N 0 0 484.556 4.037 50 0 JIAARN Cc1cccc(N2CCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C[C@@H]2C)c1 ZINC000015935594 556073543 /nfs/dbraw/zinc/07/35/43/556073543.db2.gz JHICPUHHKKGTFZ-NRFANRHFSA-N 0 0 464.635 4.433 50 0 JIAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc1 ZINC000023483414 556075017 /nfs/dbraw/zinc/07/50/17/556075017.db2.gz ZXACABLAXCYFCR-DEOSSOPVSA-N 0 0 460.965 4.380 50 0 JIAARN CCOC(=O)N1CCC(NC(=O)CSCc2nc(-c3ccccc3Cl)oc2C)CC1 ZINC000015937171 556075271 /nfs/dbraw/zinc/07/52/71/556075271.db2.gz OFCIGALKGDCZOH-UHFFFAOYSA-N 0 0 451.976 4.274 50 0 JIAARN COC(=O)c1cccc(COC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 ZINC000023612097 556080216 /nfs/dbraw/zinc/08/02/16/556080216.db2.gz FGBSOOQNFLFUSZ-OAQYLSRUSA-N 0 0 462.527 4.101 50 0 JIAARN Cc1ccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1NC(=O)c1ccco1 ZINC000023642458 556081539 /nfs/dbraw/zinc/08/15/39/556081539.db2.gz MQFWEJBHOKBHFK-UHFFFAOYSA-N 0 0 467.953 4.331 50 0 JIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000012585035 556082695 /nfs/dbraw/zinc/08/26/95/556082695.db2.gz NWODUQSJOKEJOD-HSZRJFAPSA-N 0 0 466.559 4.482 50 0 JIAARN CCOc1ccccc1C(=O)N[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(C)C ZINC000012586252 556083567 /nfs/dbraw/zinc/08/35/67/556083567.db2.gz SKYKDMQQZHFURG-JOCHJYFZSA-N 0 0 493.526 4.334 50 0 JIAARN Cc1cccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)[C@H]3CCS(=O)(=O)C3)c2=S)c1 ZINC000012588558 556084908 /nfs/dbraw/zinc/08/49/08/556084908.db2.gz VMQNOEOENITRLO-IBGZPJMESA-N 0 0 463.028 4.109 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)O[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000012589374 556085710 /nfs/dbraw/zinc/08/57/10/556085710.db2.gz BICVJVASZICQTJ-CBGDNZLLSA-N 0 0 476.570 4.175 50 0 JIAARN COc1ccc(COC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)cc1F ZINC000012589343 556085726 /nfs/dbraw/zinc/08/57/26/556085726.db2.gz CHPMWQRMKPIUQB-UHFFFAOYSA-N 0 0 464.342 4.432 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000012591167 556087323 /nfs/dbraw/zinc/08/73/23/556087323.db2.gz NQAOHBKZFTUEKV-HSZRJFAPSA-N 0 0 474.513 4.247 50 0 JIAARN COc1ccc(Nc2nc(COC(=O)CN3C(=O)N[C@]4(C[C@@H](C)CC(C)(C)C4)C3=O)cs2)cc1 ZINC000023866965 556095506 /nfs/dbraw/zinc/09/55/06/556095506.db2.gz WUJNNTFCBVEDMQ-OWJWWREXSA-N 0 0 486.594 4.075 50 0 JIAARN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@H]3CC=C4C=C(OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012657614 556099855 /nfs/dbraw/zinc/09/98/55/556099855.db2.gz ZRZMJLCBJYFXJX-MQCODARXSA-N 0 0 472.578 4.440 50 0 biogenic JIAARN O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000015981936 556100212 /nfs/dbraw/zinc/10/02/12/556100212.db2.gz IRNIGHMRSVCMLU-UHFFFAOYSA-N 0 0 479.558 4.010 50 0 JIAARN Cc1cccc(CS(=O)(=O)c2nnc([C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)o2)c1 ZINC000015990001 556102217 /nfs/dbraw/zinc/10/22/17/556102217.db2.gz PLKLULXRWFMWEX-LJQANCHMSA-N 0 0 457.552 4.160 50 0 JIAARN Cc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000012692012 556102454 /nfs/dbraw/zinc/10/24/54/556102454.db2.gz NPEYCCUQTHUAQB-UHFFFAOYSA-N 0 0 495.576 4.034 50 0 JIAARN O=C(c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl)N1CCCCCCC1 ZINC000015992837 556102595 /nfs/dbraw/zinc/10/25/95/556102595.db2.gz OCDXFWWGBMACNE-UHFFFAOYSA-N 0 0 476.042 4.257 50 0 JIAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)CC2)c1 ZINC000015997088 556103669 /nfs/dbraw/zinc/10/36/69/556103669.db2.gz GZATYSCHDLOXIN-AWEZNQCLSA-N 0 0 483.417 4.474 50 0 JIAARN CCOc1ccc([C@@]2(C)NC(=O)N(CN3CCC[C@@H]3c3nc4ccccc4s3)C2=O)cc1 ZINC000023955729 556104068 /nfs/dbraw/zinc/10/40/68/556104068.db2.gz SZVAYMQOYPGVFA-NTKDMRAZSA-N 0 0 450.564 4.257 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@@H](O)COc1ccc(C(C)=O)cc1)CC2 ZINC000023956933 556106200 /nfs/dbraw/zinc/10/62/00/556106200.db2.gz GANOYVCWAIYFDZ-FQRUVTKNSA-N 0 0 467.587 4.355 50 0 JIAARN COc1ccc(NC(=O)c2cc(C)on2)cc1S(=O)(=O)Nc1cc(C)ccc1Br ZINC000012738982 556107234 /nfs/dbraw/zinc/10/72/34/556107234.db2.gz QSKGBCPBUXDYKT-UHFFFAOYSA-N 0 0 480.340 4.116 50 0 JIAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016009648 556108325 /nfs/dbraw/zinc/10/83/25/556108325.db2.gz ATWWDPFSYDNMEL-XQNUDUSMSA-N 0 0 490.774 4.386 50 0 JIAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016009920 556108903 /nfs/dbraw/zinc/10/89/03/556108903.db2.gz KPDRMPVLXMQCKG-XQNUDUSMSA-N 0 0 490.774 4.386 50 0 JIAARN Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1 ZINC000023968372 556109053 /nfs/dbraw/zinc/10/90/53/556109053.db2.gz WGJJDSDHCDTPSY-SANMLTNESA-N 0 0 470.573 4.025 50 0 JIAARN O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)N1CCN(Cc2ccccc2)CC1 ZINC000023968798 556109709 /nfs/dbraw/zinc/10/97/09/556109709.db2.gz MJEXLCQNUCPBOJ-UHFFFAOYSA-N 0 0 472.618 4.198 50 0 JIAARN COc1ccc(-c2noc(CN3C(=O)NC(Cc4ccccc4)(Cc4ccccc4)C3=O)n2)cc1 ZINC000023983615 556111820 /nfs/dbraw/zinc/11/18/20/556111820.db2.gz XUBCGSDDLYZXDU-UHFFFAOYSA-N 0 0 468.513 4.021 50 0 JIAARN CCOc1ccccc1N1CCN(C(=O)c2ccccc2SCC(=O)NCc2ccco2)CC1 ZINC000012791364 556113234 /nfs/dbraw/zinc/11/32/34/556113234.db2.gz XMJADSRHIVLNOZ-UHFFFAOYSA-N 0 0 479.602 4.049 50 0 JIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1CN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000023990040 556114467 /nfs/dbraw/zinc/11/44/67/556114467.db2.gz JICMVWMFMJZEKH-QGZVFWFLSA-N 0 0 483.663 4.473 50 0 JIAARN CCOC(=O)C1=C(CSc2nnc(Nc3ccc(CC)cc3)s2)NC(=O)N[C@@H]1c1ccco1 ZINC000024013743 556116311 /nfs/dbraw/zinc/11/63/11/556116311.db2.gz MNHWOOVSXJMXEG-GOSISDBHSA-N 0 0 485.591 4.401 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C(F)(F)F)C2)cc1 ZINC000012843589 556116817 /nfs/dbraw/zinc/11/68/17/556116817.db2.gz WDJZMUZJARHBNO-OAHLLOKOSA-N 0 0 456.486 4.144 50 0 JIAARN CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 ZINC000024030485 556117371 /nfs/dbraw/zinc/11/73/71/556117371.db2.gz SHXQCOOMSBEYRI-UHFFFAOYSA-N 0 0 477.464 4.118 50 0 JIAARN COc1cccc(NC(=O)CN(C)Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)c1 ZINC000012864738 556120239 /nfs/dbraw/zinc/12/02/39/556120239.db2.gz FARNIABLAKBWNO-UHFFFAOYSA-N 0 0 462.575 4.348 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4C)C(=O)[C@H]3[C@H]3c4ccccc4C=NN23)cc1 ZINC000016038327 556120507 /nfs/dbraw/zinc/12/05/07/556120507.db2.gz FXFFZFRMQMZOEJ-XDZVQPMWSA-N 0 0 479.536 4.074 50 0 JIAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[C@H](C)c3ccccc3)C2=O)cc1OC ZINC000016039595 556121177 /nfs/dbraw/zinc/12/11/77/556121177.db2.gz HUSFEVICDPBAES-NOEYKIMYSA-N 0 0 454.548 4.050 50 0 JIAARN C[C@@H](Sc1nnc(CCC(N)=O)n1Cc1ccco1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000012879175 556122703 /nfs/dbraw/zinc/12/27/03/556122703.db2.gz FDBAQSFOVOCIJW-QGZVFWFLSA-N 0 0 491.573 4.249 50 0 JIAARN CN(C)CCCN1C(=O)C(=O)C(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000024193001 556126086 /nfs/dbraw/zinc/12/60/86/556126086.db2.gz NQCWZIGLWWJFQM-GOSISDBHSA-N 0 0 469.390 4.072 50 0 JIAARN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCc4[nH]c5ccccc5c4C3)c2c1C ZINC000024527537 556133620 /nfs/dbraw/zinc/13/36/20/556133620.db2.gz DEWSTYNJHAJRAY-UHFFFAOYSA-N 0 0 491.617 4.053 50 0 JIAARN O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCN(Cc2nc3ccsc3c(=O)[nH]2)CC1 ZINC000024528125 556134307 /nfs/dbraw/zinc/13/43/07/556134307.db2.gz XYUPBWAXDZFOCJ-UHFFFAOYSA-N 0 0 496.596 4.208 50 0 JIAARN O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000012915712 556134969 /nfs/dbraw/zinc/13/49/69/556134969.db2.gz MONSUOZKXGRTJX-FYYLOGMGSA-N 0 0 471.582 4.420 50 0 JIAARN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000012917253 556136452 /nfs/dbraw/zinc/13/64/52/556136452.db2.gz UBEXWRGFQRYCJY-UHFFFAOYSA-N 0 0 460.596 4.231 50 0 JIAARN Cc1cc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)c3c(C)noc3n2)c(C)s1 ZINC000012917973 556136704 /nfs/dbraw/zinc/13/67/04/556136704.db2.gz JWFDCBNNEGNWDN-UHFFFAOYSA-N 0 0 470.576 4.379 50 0 JIAARN COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2cc(Br)ccc2OC)c1 ZINC000012918592 556137632 /nfs/dbraw/zinc/13/76/32/556137632.db2.gz XSJKWZBSBOGWMI-MRXNPFEDSA-N 0 0 456.358 4.001 50 0 JIAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024606459 556138859 /nfs/dbraw/zinc/13/88/59/556138859.db2.gz IWPQKZPNEOFXCM-NSHDSACASA-N 0 0 452.907 4.460 50 0 JIAARN O=C(C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000024607456 556139382 /nfs/dbraw/zinc/13/93/82/556139382.db2.gz RPMCXNJXQUMDQO-UHFFFAOYSA-N 0 0 475.054 4.363 50 0 JIAARN CCCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C1=C([n+]2cccc(CC)c2)C(=O)N(C(C)C)C1=O ZINC000016571112 556143713 /nfs/dbraw/zinc/14/37/13/556143713.db2.gz JREWJXOVWNZGCO-UHFFFAOYSA-O 0 0 479.988 4.179 50 0 JIAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccc(F)cc3F)c2)cc1 ZINC000012926912 556144875 /nfs/dbraw/zinc/14/48/75/556144875.db2.gz CUEYUZWLNIXGKE-OAHLLOKOSA-N 0 0 460.502 4.290 50 0 JIAARN O=C(N[C@@H]1CCSc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000012927016 556145241 /nfs/dbraw/zinc/14/52/41/556145241.db2.gz MPUZIJQSBMZRHT-DNVCBOLYSA-N 0 0 451.013 4.094 50 0 JIAARN O=C(CCCn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000024730801 556147401 /nfs/dbraw/zinc/14/74/01/556147401.db2.gz NVBALWCECRRRRN-DEOSSOPVSA-N 0 0 451.530 4.153 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N[C@H]3CCSc4ccc(F)cc43)ccc2Cl)C[C@@H](C)O1 ZINC000012931229 556147872 /nfs/dbraw/zinc/14/78/72/556147872.db2.gz TTXFLWRHVDCRPV-LPMFXHHGSA-N 0 0 499.029 4.244 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N(Cc2ccco2)Cc2ccccc2)ccc1OC ZINC000024749017 556148431 /nfs/dbraw/zinc/14/84/31/556148431.db2.gz YKXCYLANNYXXGB-UHFFFAOYSA-N 0 0 456.564 4.161 50 0 JIAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cc2)C1 ZINC000012933253 556149401 /nfs/dbraw/zinc/14/94/01/556149401.db2.gz RBGBEFWTXVGMTQ-OAHLLOKOSA-N 0 0 498.432 4.125 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](c3ccc4c(c3)OCCO4)C(F)(F)F)CC2)cc1 ZINC000024762168 556152222 /nfs/dbraw/zinc/15/22/22/556152222.db2.gz IWQYOEOPSDLSFX-OAQYLSRUSA-N 0 0 499.507 4.014 50 0 JIAARN Cc1cc(N2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)n2ncnc2n1 ZINC000024770633 556153593 /nfs/dbraw/zinc/15/35/93/556153593.db2.gz XGJDCDZHNSKNMH-UHFFFAOYSA-N 0 0 466.467 4.081 50 0 JIAARN O=C(NCCOc1ccc2ccccc2c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000012940454 556154372 /nfs/dbraw/zinc/15/43/72/556154372.db2.gz ADDKGAWJLAXARJ-UHFFFAOYSA-N 0 0 458.967 4.087 50 0 JIAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000024776090 556154978 /nfs/dbraw/zinc/15/49/78/556154978.db2.gz NYIMNNBGEQOVLS-UHFFFAOYSA-N 0 0 477.517 4.168 50 0 JIAARN O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)c1cccc2c[nH]nc21 ZINC000024836082 556159029 /nfs/dbraw/zinc/15/90/29/556159029.db2.gz QBKLZNSOSLVCJS-UHFFFAOYSA-N 0 0 496.511 4.321 50 0 JIAARN O=S(=O)(c1ccc2oc(Nc3ccc(Cl)c(C(F)(F)F)c3)nc2c1)N1CCOCC1 ZINC000012951199 556160155 /nfs/dbraw/zinc/16/01/55/556160155.db2.gz MEMKCDVIXLTCML-UHFFFAOYSA-N 0 0 461.849 4.265 50 0 JIAARN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3)n2)c(F)c1 ZINC000024842364 556160233 /nfs/dbraw/zinc/16/02/33/556160233.db2.gz ZSAZLSCIXLMVQQ-HXUWFJFHSA-N 0 0 452.511 4.151 50 0 JIAARN C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)n2)C1 ZINC000024886967 556162082 /nfs/dbraw/zinc/16/20/82/556162082.db2.gz CIFAPARLKQFXKK-MRXNPFEDSA-N 0 0 459.593 4.194 50 0 JIAARN O=C(CCc1nnc(-c2ccccc2)o1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024920555 556163096 /nfs/dbraw/zinc/16/30/96/556163096.db2.gz HPAWEWCZQYGUET-UHFFFAOYSA-N 0 0 477.565 4.276 50 0 JIAARN O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024920914 556163150 /nfs/dbraw/zinc/16/31/50/556163150.db2.gz FMNFQJFEYPEHQP-OAQYLSRUSA-N 0 0 457.958 4.251 50 0 JIAARN O=C(Nc1ccc2c[nH]nc2c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000024929640 556164335 /nfs/dbraw/zinc/16/43/35/556164335.db2.gz GGYICFKDHFNYQD-RUZDIDTESA-N 0 0 470.554 4.244 50 0 JIAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NCCCOCc1ccccc1 ZINC000024969778 556165676 /nfs/dbraw/zinc/16/56/76/556165676.db2.gz KELTUDYAIFNKMZ-UHFFFAOYSA-N 0 0 459.575 4.145 50 0 JIAARN CCOc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016844744 556166422 /nfs/dbraw/zinc/16/64/22/556166422.db2.gz GFJFRAPYRFJASL-UHFFFAOYSA-N 0 0 489.594 4.049 50 0 JIAARN COc1ccc(CNC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)cc1 ZINC000016844881 556166426 /nfs/dbraw/zinc/16/64/26/556166426.db2.gz YKRXJWSLRBLDFL-UHFFFAOYSA-N 0 0 451.573 4.079 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)cc1 ZINC000016845001 556166672 /nfs/dbraw/zinc/16/66/72/556166672.db2.gz YPPJCXLLMCCFFJ-UHFFFAOYSA-N 0 0 465.556 4.179 50 0 JIAARN CN(C)[C@H](CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1Cl ZINC000024975118 556166771 /nfs/dbraw/zinc/16/67/71/556166771.db2.gz AFBJYAFFXIOOAS-QGZVFWFLSA-N 0 0 491.082 4.169 50 0 JIAARN O=C(COc1ccc(F)cc1Cl)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000012974961 556166930 /nfs/dbraw/zinc/16/69/30/556166930.db2.gz AGBHVZVIIDDHIK-LBPRGKRZSA-N 0 0 456.827 4.326 50 0 JIAARN COc1ccc(Cn2c(SCC(=O)NCCC(C)C)nc3c4cccnc4sc3c2=O)cc1 ZINC000016845317 556167309 /nfs/dbraw/zinc/16/73/09/556167309.db2.gz STPROZJNHJSILT-UHFFFAOYSA-N 0 0 482.631 4.318 50 0 JIAARN COc1ccc(-c2noc(CSc3ccc(-c4ccc5c(c4)OCO5)nn3)n2)cc1OC ZINC000016845682 556167594 /nfs/dbraw/zinc/16/75/94/556167594.db2.gz IGFUVDQEKWHJAJ-UHFFFAOYSA-N 0 0 450.476 4.232 50 0 JIAARN O=C(CNC(=O)c1ccccc1Br)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012975730 556168198 /nfs/dbraw/zinc/16/81/98/556168198.db2.gz XFAQBIGJHZKPJV-UHFFFAOYSA-N 0 0 458.381 4.195 50 0 JIAARN O=C(COc1ccc(Oc2ccccn2)cc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000024983189 556168675 /nfs/dbraw/zinc/16/86/75/556168675.db2.gz KSFKUNFBKYYDKN-UHFFFAOYSA-N 0 0 481.574 4.456 50 0 JIAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000024984719 556169333 /nfs/dbraw/zinc/16/93/33/556169333.db2.gz NTHZSRVNRNEYGF-HXUWFJFHSA-N 0 0 492.645 4.459 50 0 JIAARN COc1ccc([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CCOCC2)cc1OC ZINC000012977433 556170293 /nfs/dbraw/zinc/17/02/93/556170293.db2.gz SHQAMMJOBTULMH-DEOSSOPVSA-N 0 0 460.574 4.025 50 0 JIAARN O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000024988556 556170403 /nfs/dbraw/zinc/17/04/03/556170403.db2.gz AZOLLIURXZSGJN-GFCCVEGCSA-N 0 0 475.767 4.281 50 0 JIAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2C)cc1 ZINC000025017829 556172625 /nfs/dbraw/zinc/17/26/25/556172625.db2.gz XJPCFCAYOLZIFB-MRXNPFEDSA-N 0 0 487.651 4.063 50 0 JIAARN CNc1nnc(SCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)s1 ZINC000012980669 556173646 /nfs/dbraw/zinc/17/36/46/556173646.db2.gz SXWOFYUVLSVCAX-KRWDZBQOSA-N 0 0 453.593 4.110 50 0 JIAARN COc1cc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc(OC)c1Br ZINC000012981451 556174539 /nfs/dbraw/zinc/17/45/39/556174539.db2.gz LMYFUNQPJIOQHN-UHFFFAOYSA-N 0 0 458.356 4.258 50 0 JIAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3C[C@H](O)COc3ccccc3C)CC2=O)cc1 ZINC000016902913 556174713 /nfs/dbraw/zinc/17/47/13/556174713.db2.gz JDMOMCPIFIUWIK-UNMCSNQZSA-N 0 0 471.557 4.314 50 0 JIAARN CCOC(=O)c1sc2nc(COC(=O)COc3cccc(Oc4ccccn4)c3)nc(N)c2c1C ZINC000025051932 556174906 /nfs/dbraw/zinc/17/49/06/556174906.db2.gz SGGLORNFPSNCSI-UHFFFAOYSA-N 0 0 494.529 4.068 50 0 JIAARN COc1ccc(-c2noc(CN3C(=O)NC(Cc4ccccc4)(Cc4ccccc4)C3=O)n2)cc1OC ZINC000025052782 556175134 /nfs/dbraw/zinc/17/51/34/556175134.db2.gz GPPCIEWETOUGNL-UHFFFAOYSA-N 0 0 498.539 4.030 50 0 JIAARN Cc1ccccc1OC[C@H](O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000016903309 556176040 /nfs/dbraw/zinc/17/60/40/556176040.db2.gz FZTTVTXIZBDWFQ-DENIHFKCSA-N 0 0 459.521 4.444 50 0 JIAARN C[C@@]1(CSc2ccccc2C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)NC(=O)NC1=O ZINC000025056506 556176162 /nfs/dbraw/zinc/17/61/62/556176162.db2.gz YNMZUFYKWMGESL-MYYSRTQBSA-N 0 0 480.615 4.006 50 0 JIAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3C[C@@H](O)COc3ccccc3C)CC2=O)c1 ZINC000016903397 556176265 /nfs/dbraw/zinc/17/62/65/556176265.db2.gz SCGQUHJNIRLFDZ-RBBKRZOGSA-N 0 0 471.557 4.314 50 0 JIAARN Cc1cccc(OC[C@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000016903420 556176333 /nfs/dbraw/zinc/17/63/33/556176333.db2.gz ZWTSLUISMOWNEV-WOJBJXKFSA-N 0 0 459.521 4.444 50 0 JIAARN O=C(CSc1nnc(NCc2ccc(F)cc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012983822 556177061 /nfs/dbraw/zinc/17/70/61/556177061.db2.gz CQHURTASVAEWPS-UHFFFAOYSA-N 0 0 492.623 4.049 50 0 JIAARN COc1cc2ccccc2cc1C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000012984523 556177943 /nfs/dbraw/zinc/17/79/43/556177943.db2.gz LNDAZHPGMQRJIJ-UHFFFAOYSA-N 0 0 471.479 4.264 50 0 JIAARN O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012984490 556177958 /nfs/dbraw/zinc/17/79/58/556177958.db2.gz DCAAYMSZXLAQQG-UHFFFAOYSA-N 0 0 486.844 4.219 50 0 JIAARN CCOc1c(Br)cc(Cl)cc1NCC(=O)NC(=O)NCCc1cccs1 ZINC000025070660 556178442 /nfs/dbraw/zinc/17/84/42/556178442.db2.gz BHADHUAROCMMOC-UHFFFAOYSA-N 0 0 460.781 4.043 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 ZINC000012984895 556178526 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COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCc1ccc(-c2ccc(OC)cc2)o1 ZINC000025188918 556204802 /nfs/dbraw/zinc/20/48/02/556204802.db2.gz AUGGILYEFQDSSN-UHFFFAOYSA-N 0 0 464.518 4.150 50 0 JIAARN CON(C)S(=O)(=O)c1ccc(Br)c(C(=O)OCc2cc3ccccc3nc2Cl)c1 ZINC000013015603 556207089 /nfs/dbraw/zinc/20/70/89/556207089.db2.gz YRYPVRARNCQCAK-UHFFFAOYSA-N 0 0 499.770 4.190 50 0 JIAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000025357442 556210512 /nfs/dbraw/zinc/21/05/12/556210512.db2.gz TZJITVMGJHWZPA-VWLOTQADSA-N 0 0 495.560 4.362 50 0 JIAARN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)n2)n1 ZINC000025389213 556211590 /nfs/dbraw/zinc/21/15/90/556211590.db2.gz SGHYIAKVUXMSBS-DUXBZUBYSA-N 0 0 471.001 4.415 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(C)cc2)cc1 ZINC000017052150 556213228 /nfs/dbraw/zinc/21/32/28/556213228.db2.gz FACNYVAGHVVXFS-UHFFFAOYSA-N 0 0 474.590 4.194 50 0 JIAARN CC(C)C[C@H]1NC(=O)N(CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)C1=O ZINC000025423311 556214295 /nfs/dbraw/zinc/21/42/95/556214295.db2.gz KPKHVCBMLMGEIV-RPBOFIJWSA-N 0 0 468.557 4.484 50 0 JIAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc5c(cc34)CCC5)CC2)c1C ZINC000025436378 556215247 /nfs/dbraw/zinc/21/52/47/556215247.db2.gz MDSYLSZXKFLONB-UHFFFAOYSA-N 0 0 480.630 4.022 50 0 JIAARN Cc1ccc2nc(NC(=O)CSc3nc(=O)n(Cc4ccco4)c4c3CCC4)sc2c1 ZINC000017122117 556219589 /nfs/dbraw/zinc/21/95/89/556219589.db2.gz XASGTUDQMOKWRA-UHFFFAOYSA-N 0 0 452.561 4.022 50 0 JIAARN Cc1cc(NC(=O)c2c(F)cccc2F)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1 ZINC000017135745 556222943 /nfs/dbraw/zinc/22/29/43/556222943.db2.gz GLBKYPBQQGJVMR-UHFFFAOYSA-N 0 0 459.460 4.457 50 0 JIAARN Cc1csc2nc(COC(=O)c3ccccc3SCC(=O)Nc3ccc(F)cc3)cc(=O)n12 ZINC000013030315 556225339 /nfs/dbraw/zinc/22/53/39/556225339.db2.gz CCXCMWPZQMEGRE-UHFFFAOYSA-N 0 0 483.546 4.291 50 0 JIAARN CCCCn1c2ccccc2nc(CCC(=O)OCC(=O)c2cc(C)n(CCCOC)c2C)c1=O ZINC000013031194 556227217 /nfs/dbraw/zinc/22/72/17/556227217.db2.gz NPLCLYVBJLWYJC-UHFFFAOYSA-N 0 0 481.593 4.010 50 0 JIAARN COc1ccc([C@H]2CCCN2C(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000025614858 556227673 /nfs/dbraw/zinc/22/76/73/556227673.db2.gz DFIZJWFCNFQSSS-WZJJSRHISA-N 0 0 454.611 4.480 50 0 JIAARN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2c3ccccc3nc3c2CN(C)CC3)cc1 ZINC000025686138 556229773 /nfs/dbraw/zinc/22/97/73/556229773.db2.gz RVBDYYQUISNGHY-RTBURBONSA-N 0 0 492.645 4.427 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)s1 ZINC000025777971 556233385 /nfs/dbraw/zinc/23/33/85/556233385.db2.gz ZNTXVTIVESLERI-UHFFFAOYSA-N 0 0 454.617 4.112 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ncnc4sc5c(c43)CCCCC5)CC2)c(C)c1 ZINC000013037866 556233382 /nfs/dbraw/zinc/23/33/82/556233382.db2.gz ZNQDIJKRNZWHMR-UHFFFAOYSA-N 0 0 470.664 4.396 50 0 JIAARN Cc1ccc(CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc32)cc1 ZINC000025783617 556235328 /nfs/dbraw/zinc/23/53/28/556235328.db2.gz HWQUJYDNFUHVFV-UHFFFAOYSA-N 0 0 456.571 4.236 50 0 JIAARN COc1cccc([C@H]2c3c(C)nn(-c4ccccc4)c3NC(=O)[C@H]2NC(=O)c2ccccc2)c1 ZINC000013038459 556236362 /nfs/dbraw/zinc/23/63/62/556236362.db2.gz XXNQSXFWDINKSE-ZEQRLZLVSA-N 0 0 452.514 4.072 50 0 JIAARN CCOc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC(=O)[C@@H]2NC(=O)c2ccccc2)cc1 ZINC000013038464 556236421 /nfs/dbraw/zinc/23/64/21/556236421.db2.gz KXXVCXJJHOFEBK-JWQCQUIFSA-N 0 0 466.541 4.462 50 0 JIAARN Cc1c(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(=O)n(-c2ccccc2)n1C ZINC000013039329 556240029 /nfs/dbraw/zinc/24/00/29/556240029.db2.gz RMMULTTXZIYJPH-UHFFFAOYSA-N 0 0 493.917 4.407 50 0 JIAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccccc2OCc2ccc(F)cc2)c(=O)[nH]c1=O ZINC000013039738 556241280 /nfs/dbraw/zinc/24/12/80/556241280.db2.gz ADUZXEPMXNDMNN-UHFFFAOYSA-N 0 0 496.583 4.330 50 0 JIAARN CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000013039971 556242281 /nfs/dbraw/zinc/24/22/81/556242281.db2.gz AQAXODYDKHLJAU-SFHVURJKSA-N 0 0 473.591 4.251 50 0 JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccc(OC)c(OC)c3)nn2[C@@H]1c1ccncc1 ZINC000017243536 556244450 /nfs/dbraw/zinc/24/44/50/556244450.db2.gz BHXCMBVITLMVFI-XMMPIXPASA-N 0 0 498.543 4.294 50 0 JIAARN COc1cc(OC)cc(-c2nc3n(n2)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2cccnc2)=C(C)N3)c1 ZINC000017243448 556244493 /nfs/dbraw/zinc/24/44/93/556244493.db2.gz CGZVODFNACKDPD-QHCPKHFHSA-N 0 0 486.507 4.424 50 0 JIAARN COc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccccc4OC)nn32)cc1 ZINC000017243708 556244976 /nfs/dbraw/zinc/24/49/76/556244976.db2.gz QBWOPGJRMYYLRX-HSZRJFAPSA-N 0 0 468.517 4.285 50 0 JIAARN CCc1ccc(C(=O)COC(=O)C=Cc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000013041372 556246587 /nfs/dbraw/zinc/24/65/87/556246587.db2.gz OLTXFZRDVBGRIW-LFIBNONCSA-N 0 0 455.576 4.253 50 0 JIAARN COc1cccc(NC(=O)CSc2cn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c3ccccc23)c1 ZINC000017246847 556246932 /nfs/dbraw/zinc/24/69/32/556246932.db2.gz 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O=C(/C=C/c1cccc(C(F)(F)F)c1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000018107906 556288445 /nfs/dbraw/zinc/28/84/45/556288445.db2.gz SDZMDFUTLWULEU-FMIVXFBMSA-N 0 0 452.498 4.210 50 0 JIAARN COc1ccc(N2C(=O)c3ccccc3C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000018114177 556289258 /nfs/dbraw/zinc/28/92/58/556289258.db2.gz RWXSPAZXLWHDGJ-JJIBRWJFSA-N 0 0 480.524 4.133 50 0 JIAARN CCOC(=O)c1c(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2)sc2c1CCCC2 ZINC000018130824 556292619 /nfs/dbraw/zinc/29/26/19/556292619.db2.gz FHWYVIJGQZWILE-IFCLKOLQSA-N 0 0 490.581 4.367 50 0 JIAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000013097788 556295210 /nfs/dbraw/zinc/29/52/10/556295210.db2.gz YLXQOYFUFGZBGS-RUZDIDTESA-N 0 0 482.506 4.405 50 0 JIAARN COc1cc(C(C)=O)ccc1OCC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000013097958 556295687 /nfs/dbraw/zinc/29/56/87/556295687.db2.gz WNHNAUMTZJSVPA-UHFFFAOYSA-N 0 0 488.949 4.370 50 0 JIAARN COc1ccc(CN(C(=O)COc2ccc(Br)cc2)c2ccccn2)cc1OC ZINC000027582802 556300196 /nfs/dbraw/zinc/30/01/96/556300196.db2.gz HOTRXBBCXHBAFF-UHFFFAOYSA-N 0 0 457.324 4.474 50 0 JIAARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)no2)cc1 ZINC000027662847 556302030 /nfs/dbraw/zinc/30/20/30/556302030.db2.gz UVVVOJKCONJHNW-INIZCTEOSA-N 0 0 451.548 4.361 50 0 JIAARN COc1ccc(-c2cc(C(=O)N(Cc3cccc4ccccc43)[C@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000027663942 556302924 /nfs/dbraw/zinc/30/29/24/556302924.db2.gz WXBSRSUXQSBYJQ-NRFANRHFSA-N 0 0 476.554 4.333 50 0 JIAARN NC(=O)COc1ccc([C@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000027664564 556303680 /nfs/dbraw/zinc/30/36/80/556303680.db2.gz PBOLCUZNKSXOHB-VWLOTQADSA-N 0 0 488.931 4.045 50 0 JIAARN COc1ccc(CN(C)Cn2nc(-c3cccs3)n(C[C@H]3CCCO3)c2=S)cc1OC ZINC000013102714 556303972 /nfs/dbraw/zinc/30/39/72/556303972.db2.gz VBVWQMBKFATOJZ-QGZVFWFLSA-N 0 0 460.625 4.428 50 0 JIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(N4CCOCC4)cc3)c2)C1 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LQVDKXWGVJYHNP-UHFFFAOYSA-N 0 0 482.591 4.151 50 0 JIAARN CC(C)c1ccc(OCc2nnc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)n2N)cc1 ZINC000013112955 556315900 /nfs/dbraw/zinc/31/59/00/556315900.db2.gz WHMGATKAALLKBZ-JOCHJYFZSA-N 0 0 451.596 4.150 50 0 JIAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000013115162 556322002 /nfs/dbraw/zinc/32/20/02/556322002.db2.gz AULJMPULAPLMCW-UHFFFAOYSA-N 0 0 470.616 4.384 50 0 JIAARN Cc1ccc(-n2nnnc2SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)cc1 ZINC000013116209 556323980 /nfs/dbraw/zinc/32/39/80/556323980.db2.gz PYTDKYBTGNGYOH-KRWDZBQOSA-N 0 0 450.549 4.095 50 0 JIAARN Nc1nc(CSc2nnc(Cc3cccs3)n2C2CC2)nc(Nc2ccc(F)cc2)n1 ZINC000013116189 556324074 /nfs/dbraw/zinc/32/40/74/556324074.db2.gz IZSXIDQRSJMLTK-UHFFFAOYSA-N 0 0 454.560 4.208 50 0 JIAARN CC[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000028228630 556325924 /nfs/dbraw/zinc/32/59/24/556325924.db2.gz MLCQHUMSWHLAFQ-QPPBQGQZSA-N 0 0 455.551 4.352 50 0 JIAARN Cc1ccccc1NC(=O)[C@@H]1[C@H](c2ccccn2)[C@H](C(=O)Nc2ccccc2C)C(=O)C[C@]1(C)O ZINC000028249884 556326890 /nfs/dbraw/zinc/32/68/90/556326890.db2.gz ZSSZAWJSSFUYDM-BCCVMWATSA-N 0 0 471.557 4.016 50 0 JIAARN O=C(Nc1nc(-c2ccc[nH]2)cs1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000028253572 556326932 /nfs/dbraw/zinc/32/69/32/556326932.db2.gz JNOBRSPBGMTUTJ-UHFFFAOYSA-N 0 0 484.525 4.196 50 0 JIAARN CCCn1ccnc1SCC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC ZINC000019052929 556327246 /nfs/dbraw/zinc/32/72/46/556327246.db2.gz VRELAFHRFQDQJX-UHFFFAOYSA-N 0 0 454.552 4.293 50 0 JIAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000019076877 556327819 /nfs/dbraw/zinc/32/78/19/556327819.db2.gz ZLWAEEBFNPSYNR-AYBZRNKSSA-N 0 0 465.641 4.096 50 0 JIAARN O=C(CSc1nnc(Nc2cccc(Cl)c2)s1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000013117827 556329615 /nfs/dbraw/zinc/32/96/15/556329615.db2.gz WTOORZSFTWBHJG-KRWDZBQOSA-N 0 0 495.051 4.248 50 0 JIAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccc2c(c1)OCCO2 ZINC000013118020 556330468 /nfs/dbraw/zinc/33/04/68/556330468.db2.gz XLPGUKYAINRART-AWEZNQCLSA-N 0 0 454.527 4.160 50 0 JIAARN CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000019133154 556331668 /nfs/dbraw/zinc/33/16/68/556331668.db2.gz XIHFOHBYJWIUAB-UHFFFAOYSA-N 0 0 484.670 4.312 50 0 JIAARN CCCN(C[C@H]1CCCO1)C(=O)c1cc2ncn(Cc3ccc(F)cc3)c2c(NC(C)=O)c1 ZINC000019144794 556332057 /nfs/dbraw/zinc/33/20/57/556332057.db2.gz ZFMONCDOCGSKBA-OAQYLSRUSA-N 0 0 452.530 4.213 50 0 JIAARN O=S(=O)(c1cccc(-c2nnc(SCc3ccccc3)n2C2CCCC2)c1)N1CCOCC1 ZINC000013120813 556334484 /nfs/dbraw/zinc/33/44/84/556334484.db2.gz SLACVWWYJXPCDE-UHFFFAOYSA-N 0 0 484.647 4.373 50 0 JIAARN Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000013121014 556335541 /nfs/dbraw/zinc/33/55/41/556335541.db2.gz VLMFGBDIZQXHQK-UHFFFAOYSA-N 0 0 498.033 4.342 50 0 JIAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1C ZINC000013121207 556336491 /nfs/dbraw/zinc/33/64/91/556336491.db2.gz XQMBLPLAEGNVIF-LSDHHAIUSA-N 0 0 474.608 4.281 50 0 JIAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(F)c4)c(=O)n32)cc1 ZINC000028632543 556338746 /nfs/dbraw/zinc/33/87/46/556338746.db2.gz WVKXMFWEUXEKOH-ZMIGGIFCSA-N 0 0 499.567 4.022 50 0 JIAARN COc1ccc(OCc2noc(CN3CCN([C@@H](C)c4nc5ccccc5s4)CC3)n2)cc1 ZINC000028634895 556338769 /nfs/dbraw/zinc/33/87/69/556338769.db2.gz IFSXJAXKQVPJAG-KRWDZBQOSA-N 0 0 465.579 4.146 50 0 JIAARN C[C@@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000019298677 556338941 /nfs/dbraw/zinc/33/89/41/556338941.db2.gz ROCFVMDHGGZAFU-CQSZACIVSA-N 0 0 483.981 4.215 50 0 JIAARN C[C@@H]1CCN(C(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)n2N)c2ccccc2S1 ZINC000028714859 556340330 /nfs/dbraw/zinc/34/03/30/556340330.db2.gz FQUHPIXHWJFKSV-CYBMUJFWSA-N 0 0 477.562 4.270 50 0 JIAARN O=C(c1ccc(-n2cncn2)cc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000028813936 556341935 /nfs/dbraw/zinc/34/19/35/556341935.db2.gz PIAOWFRXLHCSPK-UHFFFAOYSA-N 0 0 459.500 4.093 50 0 JIAARN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000028829472 556342149 /nfs/dbraw/zinc/34/21/49/556342149.db2.gz LUWHMAJEKNWJSY-UHFFFAOYSA-N 0 0 450.922 4.425 50 0 JIAARN CC[C@@H](C)N(C(=O)COc1ccc2c(c1)oc(C)c(Oc1ccccc1)c2=O)[C@H]1CCS(=O)(=O)C1 ZINC000013128048 556345915 /nfs/dbraw/zinc/34/59/15/556345915.db2.gz LZZZPGLHGDSMHW-MJGOQNOKSA-N 0 0 499.585 4.087 50 0 JIAARN C[C@H]1CCc2sc(-c3nnc(SCC(=O)N(C)Cc4ccc5c(c4)OCCO5)o3)cc2C1 ZINC000013128136 556346436 /nfs/dbraw/zinc/34/64/36/556346436.db2.gz QFJPZCYZCBDVFF-AWEZNQCLSA-N 0 0 471.604 4.445 50 0 JIAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nnc(-c2ccncc2)n1C1CC1 ZINC000013128137 556346505 /nfs/dbraw/zinc/34/65/05/556346505.db2.gz BJQRNDZRFISGPG-UHFFFAOYSA-N 0 0 481.607 4.317 50 0 JIAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000013128327 556347085 /nfs/dbraw/zinc/34/70/85/556347085.db2.gz MARAWKROQZQZEL-SQHAQQRYSA-N 0 0 473.960 4.329 50 0 JIAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000013128450 556347673 /nfs/dbraw/zinc/34/76/73/556347673.db2.gz HJMYYBGUJVMGKT-IBGZPJMESA-N 0 0 478.980 4.324 50 0 JIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C2=NN(C(=O)CN3CCOCC3)[C@H](c3ccco3)C2)cc1 ZINC000013128648 556348340 /nfs/dbraw/zinc/34/83/40/556348340.db2.gz TWSWNPXCGMQXBQ-SANMLTNESA-N 0 0 495.583 4.451 50 0 JIAARN CCCCc1ccc(NC(=O)Cn2c(=O)c3c(ncn3CC(C)C)n(Cc3ccccc3)c2=O)cc1 ZINC000013129047 556350268 /nfs/dbraw/zinc/35/02/68/556350268.db2.gz TYIPGIAJZPJSPB-UHFFFAOYSA-N 0 0 487.604 4.045 50 0 JIAARN O=C(Cc1csc(-c2cccs2)n1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000029488218 556352646 /nfs/dbraw/zinc/35/26/46/556352646.db2.gz LBSZRKCECWWHEL-UHFFFAOYSA-N 0 0 459.574 4.124 50 0 JIAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)COc1ncnc2sccc21 ZINC000013129650 556353660 /nfs/dbraw/zinc/35/36/60/556353660.db2.gz AYRBPFBCXFHZCX-UHFFFAOYSA-N 0 0 453.351 4.254 50 0 JIAARN Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2)cc1 ZINC000013130530 556355834 /nfs/dbraw/zinc/35/58/34/556355834.db2.gz AMLSKIPVESMLQP-DEOSSOPVSA-N 0 0 478.570 4.316 50 0 JIAARN Cc1c(=O)c2cccc(C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)c2oc1-c1ccccc1 ZINC000019604759 556357281 /nfs/dbraw/zinc/35/72/81/556357281.db2.gz WLYNBUBSDBFCCV-UHFFFAOYSA-N 0 0 499.542 4.304 50 0 JIAARN Cc1ccccc1-c1noc(CN2CCN(C(=O)c3ccc(NC(=O)c4cccs4)cc3)CC2)n1 ZINC000029834068 556358494 /nfs/dbraw/zinc/35/84/94/556358494.db2.gz ZSNUQOHAOWVIMD-UHFFFAOYSA-N 0 0 487.585 4.317 50 0 JIAARN CCOc1cc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)ccc1OC(F)F ZINC000030063296 556363385 /nfs/dbraw/zinc/36/33/85/556363385.db2.gz GKNFSYTVBWAIPC-UHFFFAOYSA-N 0 0 480.533 4.064 50 0 JIAARN COC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)nc1 ZINC000030509861 556365760 /nfs/dbraw/zinc/36/57/60/556365760.db2.gz QUOKGSCRTBWABR-UHFFFAOYSA-N 0 0 455.967 4.208 50 0 JIAARN O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N(CCc1ccccc1)CCc1ccccc1 ZINC000030547741 556366642 /nfs/dbraw/zinc/36/66/42/556366642.db2.gz QQHVPTAFXHBBHN-UHFFFAOYSA-N 0 0 462.615 4.399 50 0 JIAARN Cc1ccc(C(=O)NCC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)s1 ZINC000013136205 556366905 /nfs/dbraw/zinc/36/69/05/556366905.db2.gz ZXEWIALJJCTDBH-UHFFFAOYSA-N 0 0 477.995 4.188 50 0 JIAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccc(Cn2ccnc2)c1)OCc1ccccc1 ZINC000030584848 556367676 /nfs/dbraw/zinc/36/76/76/556367676.db2.gz QZHFUXHUPRIMAL-SANMLTNESA-N 0 0 468.557 4.085 50 0 JIAARN O=C(NCc1cccnc1)C1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000030655202 556369372 /nfs/dbraw/zinc/36/93/72/556369372.db2.gz NOIMLRIBCXGAOM-UHFFFAOYSA-N 0 0 485.613 4.224 50 0 JIAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nnc2-c2ccc(C)cc2)cc1 ZINC000019810256 556380828 /nfs/dbraw/zinc/38/08/28/556380828.db2.gz XGJUNCKTAFEEPW-UHFFFAOYSA-N 0 0 487.585 4.471 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c[nH]nc4c3)n2Cc2ccco2)cc1 ZINC000019810673 556381584 /nfs/dbraw/zinc/38/15/84/556381584.db2.gz BCHCBGQEROIBJR-UHFFFAOYSA-N 0 0 460.519 4.202 50 0 JIAARN O=C(NCc1ccccc1)C1CCN(Cn2nc(-c3ccccc3)c3ccccc3c2=O)CC1 ZINC000031732668 556402380 /nfs/dbraw/zinc/40/23/80/556402380.db2.gz OZPIWGPRZQPKCB-UHFFFAOYSA-N 0 0 452.558 4.049 50 0 JIAARN O=C(CN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCOCC2)cc1 ZINC000031788538 556404494 /nfs/dbraw/zinc/40/44/94/556404494.db2.gz UBMZOMZBSWYYAK-JOCHJYFZSA-N 0 0 491.419 4.262 50 0 JIAARN COc1ccc(-c2noc(-c3sc(NC(=O)COc4ccccc4OC)nc3C)n2)cc1 ZINC000031814255 556406845 /nfs/dbraw/zinc/40/68/45/556406845.db2.gz IPCUVVHWKUWDBH-UHFFFAOYSA-N 0 0 452.492 4.203 50 0 JIAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3ccncc3)nn1-c1ccccc1Cl)C2 ZINC000031817979 556407840 /nfs/dbraw/zinc/40/78/40/556407840.db2.gz KDGZFJZWSDXYCO-UHFFFAOYSA-N 0 0 460.921 4.439 50 0 JIAARN COc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000031903620 556410588 /nfs/dbraw/zinc/41/05/88/556410588.db2.gz MWHLFOWJXMJEEQ-IRLDBZIGSA-N 0 0 471.557 4.314 50 0 JIAARN Cc1nc2ccccc2nc1N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1 ZINC000032091478 556414440 /nfs/dbraw/zinc/41/44/40/556414440.db2.gz GMAGIEGEUBRFCE-OAQYLSRUSA-N 0 0 480.366 4.130 50 0 JIAARN COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCCC3)nn1-c1ccc(Br)cc1)C2 ZINC000032102611 556417309 /nfs/dbraw/zinc/41/73/09/556417309.db2.gz YSBWIONMEKCZGB-UHFFFAOYSA-N 0 0 468.351 4.459 50 0 JIAARN COC(=O)CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Br)c1OC ZINC000032122945 556426250 /nfs/dbraw/zinc/42/62/50/556426250.db2.gz PBJZCLKTKSLWOI-SXGWCWSVSA-N 0 0 495.782 4.259 50 0 JIAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000032483129 556436231 /nfs/dbraw/zinc/43/62/31/556436231.db2.gz CBFUORUVFQIBFW-UHFFFAOYSA-N 0 0 453.926 4.122 50 0 JIAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1)c1ccc(Cl)s1 ZINC000032495802 556436661 /nfs/dbraw/zinc/43/66/61/556436661.db2.gz HYUVQXWJPPNOFP-UHFFFAOYSA-N 0 0 484.043 4.055 50 0 JIAARN COc1ccc(Br)cc1CN(C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000032510898 556443474 /nfs/dbraw/zinc/44/34/74/556443474.db2.gz PADJGDODXGTHFA-GOSISDBHSA-N 0 0 472.339 4.453 50 0 JIAARN O=C(COc1ccccc1Cl)Nc1nc(-c2ccc(I)o2)ns1 ZINC000032593358 556447213 /nfs/dbraw/zinc/44/72/13/556447213.db2.gz XTLPYQGAQVKSOU-UHFFFAOYSA-N 0 0 461.668 4.074 50 0 JIAARN CCn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nnc1[C@@H](C)Oc1ccccc1 ZINC000032610693 556450736 /nfs/dbraw/zinc/45/07/36/556450736.db2.gz OGBDTYGENIQPCI-MRXNPFEDSA-N 0 0 454.552 4.330 50 0 JIAARN Cc1ccc(C(O)=C2[C@@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000032624157 556454003 /nfs/dbraw/zinc/45/40/03/556454003.db2.gz BIRDAOLMKXRIRL-JQVVWYNYSA-N 0 0 462.399 4.498 50 0 JIAARN Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2ccc(Br)cc2)n1 ZINC000032624201 556454353 /nfs/dbraw/zinc/45/43/53/556454353.db2.gz MDFQQVKMFDOQIH-UHFFFAOYSA-N 0 0 481.755 4.394 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccc(OC)cc3)n2CCOC)cc1 ZINC000032624414 556454404 /nfs/dbraw/zinc/45/44/04/556454404.db2.gz ZWRDMUAWAZLEAR-VHXPQNKSSA-N 0 0 475.636 4.135 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC=C(C)C)n2[C@H](C)COC)c1 ZINC000032636360 556457174 /nfs/dbraw/zinc/45/71/74/556457174.db2.gz YERGHKRNKONMBG-QGZVFWFLSA-N 0 0 452.646 4.241 50 0 JIAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1c2ccccc2CC[C@@H]1C ZINC000032665101 556466483 /nfs/dbraw/zinc/46/64/83/556466483.db2.gz FYNWPLLXVZVDFK-IBGZPJMESA-N 0 0 453.583 4.100 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N3CCC[C@H]3c3cccs3)c12 ZINC000032719144 556474266 /nfs/dbraw/zinc/47/42/66/556474266.db2.gz RQICJAFIHTVKCM-LPHOPBHVSA-N 0 0 470.620 4.016 50 0 JIAARN Cc1ccc(-c2nnc([C@@H](C)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)o2)cc1 ZINC000032739744 556479916 /nfs/dbraw/zinc/47/99/16/556479916.db2.gz MBFDWFMSJIVHEK-QGZVFWFLSA-N 0 0 473.499 4.381 50 0 JIAARN Cc1cc(CN2CCN(C(=O)c3cn(-c4ccccc4)nc3-c3ccc(C)cc3C)CC2)no1 ZINC000032741389 556481134 /nfs/dbraw/zinc/48/11/34/556481134.db2.gz IEZIPBPCFIJKFZ-UHFFFAOYSA-N 0 0 455.562 4.411 50 0 JIAARN COc1ccc([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c(OC)c1 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569678902 /nfs/dbraw/zinc/67/89/02/569678902.db2.gz AUMBFMHLCLVIKW-UHFFFAOYSA-N 0 0 455.536 4.003 50 0 JIAARN Cc1ccc(-c2cnc(CCC(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)o2)cc1 ZINC000035262623 569678937 /nfs/dbraw/zinc/67/89/37/569678937.db2.gz CCADFNRCLRYATA-UHFFFAOYSA-N 0 0 466.969 4.019 50 0 JIAARN O=C(CSc1nc2ccsc2c(=O)n1CCc1cccs1)NCc1ccc(F)cc1F ZINC000067217592 569679624 /nfs/dbraw/zinc/67/96/24/569679624.db2.gz BQVQDLJYLZEIHK-UHFFFAOYSA-N 0 0 477.583 4.449 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(C)c(C)c2)c1=O ZINC000067218045 569679873 /nfs/dbraw/zinc/67/98/73/569679873.db2.gz IBFXWAGORUJOSB-UHFFFAOYSA-N 0 0 483.977 4.440 50 0 JIAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(C(F)(F)F)c3)c2=O)c1C ZINC000067218298 569680115 /nfs/dbraw/zinc/68/01/15/569680115.db2.gz WIGNBBBBMTYPIZ-UHFFFAOYSA-N 0 0 473.476 4.488 50 0 JIAARN Cc1cccc(-c2noc(-c3cccn4c(=O)n(CC(=O)Nc5ccccc5C(F)(F)F)nc34)n2)c1 ZINC000067218814 569680288 /nfs/dbraw/zinc/68/02/88/569680288.db2.gz 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COc1cccc(-n2nnc(C(=O)NCc3ccc(Br)cc3)c2-c2ccncc2)c1 ZINC000067261771 569682925 /nfs/dbraw/zinc/68/29/25/569682925.db2.gz DAAPQZRRVXCASJ-UHFFFAOYSA-N 0 0 464.323 4.030 50 0 JIAARN COc1ccc([C@@H](C)Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)cc1 ZINC000067261369 569682933 /nfs/dbraw/zinc/68/29/33/569682933.db2.gz UVOJIXDIDPRXIU-MRXNPFEDSA-N 0 0 459.531 4.292 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3nnn(-c4ccc(Cl)cc4)c3-c3cccnc3)CC2)c1 ZINC000067262873 569683180 /nfs/dbraw/zinc/68/31/80/569683180.db2.gz OKLGESOIEFBCEW-UHFFFAOYSA-N 0 0 458.953 4.254 50 0 JIAARN O=C(c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000067262900 569683336 /nfs/dbraw/zinc/68/33/36/569683336.db2.gz SXMAYSGMANYWSW-UHFFFAOYSA-N 0 0 462.916 4.084 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2)Nc1ccccc1F ZINC000067291088 569685316 /nfs/dbraw/zinc/68/53/16/569685316.db2.gz CLGAOMYQKGWKBH-UHFFFAOYSA-N 0 0 463.490 4.043 50 0 JIAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)nnn1CC(=O)Nc1ccc(Br)cc1F ZINC000067323280 569687387 /nfs/dbraw/zinc/68/73/87/569687387.db2.gz BSFXLUBCPDLVNY-UHFFFAOYSA-N 0 0 480.725 4.341 50 0 JIAARN COc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)NC[C@@H]2CCCO2)c(OC)c1 ZINC000067292282 569685983 /nfs/dbraw/zinc/68/59/83/569685983.db2.gz FRUUEZWMBRFRLW-LTHSRMNQSA-N 0 0 487.350 4.354 50 0 JIAARN COC(=O)c1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000067292359 569686048 /nfs/dbraw/zinc/68/60/48/569686048.db2.gz GQCGMBQZHMLBKU-PPFHAMGKSA-N 0 0 485.334 4.123 50 0 JIAARN COc1ccc([C@@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(F)cc2)cc1OC ZINC000067319785 569687199 /nfs/dbraw/zinc/68/71/99/569687199.db2.gz YABBEOOFKXPYNU-OAHLLOKOSA-N 0 0 496.564 4.148 50 0 JIAARN Cc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(C)c(C)c3)c2=O)cc1C ZINC000035396788 569687586 /nfs/dbraw/zinc/68/75/86/569687586.db2.gz DJPSXICMFFXMDM-UHFFFAOYSA-N 0 0 452.576 4.170 50 0 JIAARN CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC(C)CC1 ZINC000035398994 569689389 /nfs/dbraw/zinc/68/93/89/569689389.db2.gz 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COc1ccccc1Cn1c(SCC(=O)NCCCc2ccccc2)nc2ccsc2c1=O ZINC000067689825 569690358 /nfs/dbraw/zinc/69/03/58/569690358.db2.gz VFKCTRLXPCTESR-UHFFFAOYSA-N 0 0 479.627 4.356 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1Cc1cccc(OC)c1 ZINC000067689934 569690518 /nfs/dbraw/zinc/69/05/18/569690518.db2.gz YWEUZTFWLSADTL-UHFFFAOYSA-N 0 0 495.582 4.032 50 0 JIAARN O=C(CN1CC=C(c2cnn(-c3ccccc3)c2)CC1)NCc1cccc(Br)c1 ZINC000035404345 569691596 /nfs/dbraw/zinc/69/15/96/569691596.db2.gz ZBTLAKHZKHCPEI-UHFFFAOYSA-N 0 0 451.368 4.040 50 0 JIAARN CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(-c4nc5ccc(C)cc5s4)cc3)C2=O)C1 ZINC000068734757 569691961 /nfs/dbraw/zinc/69/19/61/569691961.db2.gz LXFPODKHXRYDPX-GHTZIAJQSA-N 0 0 477.586 4.179 50 0 JIAARN Cc1nn(C)c(Cl)c1/C=C/C(=O)NCc1cccc(NC(=O)/C=C/c2c(C)nn(C)c2Cl)c1 ZINC000068833850 569692293 /nfs/dbraw/zinc/69/22/93/569692293.db2.gz YKIZGIPSOIRBPZ-GFULKKFKSA-N 0 0 487.391 4.059 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(CN[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)s1 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471.355 4.265 50 0 JIAARN CCCc1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccc(F)cc4)CC2)n1)CC[C@@H](C)C3 ZINC000035867917 569717830 /nfs/dbraw/zinc/71/78/30/569717830.db2.gz GQARPXWXDFKWSR-MRXNPFEDSA-N 0 0 488.654 4.419 50 0 JIAARN Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c(C)c1 ZINC000089614468 569719096 /nfs/dbraw/zinc/71/90/96/569719096.db2.gz GCPIHUKSEDQQQA-UHFFFAOYSA-N 0 0 460.665 4.162 50 0 JIAARN Cc1cc(C(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c(C)n1CCc1ccccc1 ZINC000089632307 569719240 /nfs/dbraw/zinc/71/92/40/569719240.db2.gz XJXGOVBSXUBSKB-RUZDIDTESA-N 0 0 472.585 4.431 50 0 JIAARN Cc1cccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000089669045 569719511 /nfs/dbraw/zinc/71/95/11/569719511.db2.gz OFAMKCXUMDEUFA-UHFFFAOYSA-N 0 0 491.491 4.183 50 0 JIAARN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000089775809 569719672 /nfs/dbraw/zinc/71/96/72/569719672.db2.gz HMXJPBODKBQCBI-SQHAQQRYSA-N 0 0 477.649 4.211 50 0 JIAARN O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000089853098 569720054 /nfs/dbraw/zinc/72/00/54/569720054.db2.gz SRASGLCZWKGFMF-UHFFFAOYSA-N 0 0 475.526 4.235 50 0 JIAARN COc1ccccc1CCN1Cc2cc(NC(=O)c3ccccc3OC)ccc2O[C@@H](C)C1=O ZINC000035884852 569720273 /nfs/dbraw/zinc/72/02/73/569720273.db2.gz NOGZEUWXSOSLNV-SFHVURJKSA-N 0 0 460.530 4.308 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccc(C)c4)nc(C)c3C(C)C)CC2)cc1 ZINC000035891178 569721960 /nfs/dbraw/zinc/72/19/60/569721960.db2.gz QRWNZBIWDOWLGB-UHFFFAOYSA-N 0 0 480.634 4.403 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(-c3ccc4ccccc4c3)[nH]n2)c1 ZINC000095349115 569722424 /nfs/dbraw/zinc/72/24/24/569722424.db2.gz LRRLQDFFPNUBRV-UHFFFAOYSA-N 0 0 454.939 4.386 50 0 JIAARN COCCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3Cl)C[C@H]12 ZINC000035907910 569723584 /nfs/dbraw/zinc/72/35/84/569723584.db2.gz NVZXFQBLCCPIGU-XMSQKQJNSA-N 0 0 481.946 4.379 50 0 JIAARN COc1ccc(CN2Cc3cc(NC(=O)c4cccc(F)c4)ccc3OCC2=O)c(OC)c1 ZINC000035909848 569725069 /nfs/dbraw/zinc/72/50/69/569725069.db2.gz JMCOSXNAIPCMRE-UHFFFAOYSA-N 0 0 450.466 4.016 50 0 JIAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccc5c(c4)OCO5)c3n2)cc1 ZINC000095540487 569726452 /nfs/dbraw/zinc/72/64/52/569726452.db2.gz DJTSWUFQSOYLDJ-UHFFFAOYSA-N 0 0 454.408 4.382 50 0 JIAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000095541003 569726568 /nfs/dbraw/zinc/72/65/68/569726568.db2.gz IOBUWORPVVJDSS-UHFFFAOYSA-N 0 0 483.494 4.113 50 0 JIAARN CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cc(C)ccc4C)n3)c(=O)n12 ZINC000035911770 569726950 /nfs/dbraw/zinc/72/69/50/569726950.db2.gz AQTJUZHIQAFNTD-UHFFFAOYSA-N 0 0 463.607 4.301 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccncc4)n3c2=O)nn1-c1cccc(C)c1C ZINC000035912027 569727120 /nfs/dbraw/zinc/72/71/20/569727120.db2.gz NPLHJALJLIKYJA-UHFFFAOYSA-N 0 0 498.612 4.096 50 0 JIAARN COCCNC(=O)c1ccccc1CSc1nnc(-c2cccnc2)n1-c1ccc(F)cc1 ZINC000095546815 569727168 /nfs/dbraw/zinc/72/71/68/569727168.db2.gz JKJMHBAJRUQESY-UHFFFAOYSA-N 0 0 463.538 4.137 50 0 JIAARN CCCCNC(=O)N1CCCN(c2nc(CCCC)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000035912577 569727626 /nfs/dbraw/zinc/72/76/26/569727626.db2.gz YUEVSEUEXUTXAP-UHFFFAOYSA-N 0 0 463.630 4.488 50 0 JIAARN CCN1CCN(C(=O)c2ccccc2CSc2nnc(C(C)C)n2-c2ccccc2OC)CC1 ZINC000095925478 569730070 /nfs/dbraw/zinc/73/00/70/569730070.db2.gz LOFOZSYXHLZKQH-UHFFFAOYSA-N 0 0 479.650 4.469 50 0 JIAARN CCCN(Cc1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)C(=O)C(C)(C)C ZINC000035943862 569731553 /nfs/dbraw/zinc/73/15/53/569731553.db2.gz BUNWCECSAFEPLF-UHFFFAOYSA-N 0 0 461.628 4.347 50 0 JIAARN COc1ccc(C(=O)N(Cc2cc(NC(=O)C(C)C)ccc2N(C)C)C[C@H]2CCCO2)cc1 ZINC000035944717 569732208 /nfs/dbraw/zinc/73/22/08/569732208.db2.gz ODKNGKYXRHIKJB-HSZRJFAPSA-N 0 0 453.583 4.177 50 0 JIAARN CN(C)c1ccc(NC(=O)c2ccco2)cc1CN(C[C@H]1CCCO1)C(=O)c1cccs1 ZINC000035944872 569732308 /nfs/dbraw/zinc/73/23/08/569732308.db2.gz BRYAOUNKUPZYAP-LJQANCHMSA-N 0 0 453.564 4.481 50 0 JIAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(F)cc1 ZINC000035945048 569732442 /nfs/dbraw/zinc/73/24/42/569732442.db2.gz FEMGCVWYCAZDOB-JOCHJYFZSA-N 0 0 489.613 4.000 50 0 JIAARN COc1cccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2cc3c(c(OC)c2)OCO3)c1 ZINC000096113974 569733107 /nfs/dbraw/zinc/73/31/07/569733107.db2.gz GUWDSXWCQTUUBL-BWKNWUBXSA-N 0 0 487.464 4.071 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(OC)cc1)C(=O)NC(C)C ZINC000035945964 569733173 /nfs/dbraw/zinc/73/31/73/569733173.db2.gz BJIAKXJTFCWHFI-HSZRJFAPSA-N 0 0 487.000 4.093 50 0 JIAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(OC)cc1 ZINC000035945965 569733181 /nfs/dbraw/zinc/73/31/81/569733181.db2.gz VQPXNLQOJBIOOY-QHCPKHFHSA-N 0 0 487.000 4.094 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1F)C(=O)NC(C)C ZINC000035945977 569733210 /nfs/dbraw/zinc/73/32/10/569733210.db2.gz PMXUHORMRPQZHW-JOCHJYFZSA-N 0 0 474.964 4.223 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)cc1)C(=O)c1cccc(F)c1 ZINC000035946669 569733909 /nfs/dbraw/zinc/73/39/09/569733909.db2.gz FDVCKZVEDUJAOY-HSZRJFAPSA-N 0 0 495.576 4.362 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(OC)cc1)C(=O)C1CCCC1 ZINC000035946615 569733971 /nfs/dbraw/zinc/73/39/71/569733971.db2.gz CCFMOYDTJHXNLS-VWLOTQADSA-N 0 0 481.568 4.177 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccco1)C(=O)Nc1ccccc1OC ZINC000035947273 569734386 /nfs/dbraw/zinc/73/43/86/569734386.db2.gz HQRYPOHUSZJPOK-JOCHJYFZSA-N 0 0 494.523 4.286 50 0 JIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2cc3c(c(OC)c2)OCO3)cc1 ZINC000096116106 569735006 /nfs/dbraw/zinc/73/50/06/569735006.db2.gz GVMWCLOYHHNGHQ-BWKNWUBXSA-N 0 0 487.464 4.071 50 0 biogenic JIAARN COc1ccc(OC)c([C@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)c2ccccc2F)c1 ZINC000035948626 569735459 /nfs/dbraw/zinc/73/54/59/569735459.db2.gz MLGCCCBIQXEBDI-OAQYLSRUSA-N 0 0 481.549 4.354 50 0 JIAARN COc1ccc(OC)c([C@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)c1 ZINC000035948628 569735463 /nfs/dbraw/zinc/73/54/63/569735463.db2.gz TZAMXHHCOUTWKC-OAQYLSRUSA-N 0 0 481.549 4.354 50 0 JIAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)C(C)C)c1 ZINC000035948634 569735478 /nfs/dbraw/zinc/73/54/78/569735478.db2.gz JGNRSTJJAWPJSG-OAQYLSRUSA-N 0 0 457.958 4.149 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccn1C)C(=O)c1ccccc1Cl ZINC000035948774 569735629 /nfs/dbraw/zinc/73/56/29/569735629.db2.gz RRGQGXLWEXIWTM-OAQYLSRUSA-N 0 0 485.009 4.207 50 0 JIAARN COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)ccc1OC(C)C ZINC000096117169 569735658 /nfs/dbraw/zinc/73/56/58/569735658.db2.gz IVODNNWHUIIYIG-YWZLYKJASA-N 0 0 461.584 4.289 50 0 JIAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)NC(C)(C)C)c1 ZINC000035949007 569735762 /nfs/dbraw/zinc/73/57/62/569735762.db2.gz UAZGEZNFGNNGOS-OAQYLSRUSA-N 0 0 487.000 4.475 50 0 JIAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2cccc(Br)c2)CCO1 ZINC000096117364 569735816 /nfs/dbraw/zinc/73/58/16/569735816.db2.gz VSTPKGBYSHFQLM-BBRMVZONSA-N 0 0 452.374 4.256 50 0 JIAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccccc2OCc2ccccn2)CCO1 ZINC000096117633 569735847 /nfs/dbraw/zinc/73/58/47/569735847.db2.gz FMTLGGBNNKIBGJ-JTSKRJEESA-N 0 0 480.590 4.468 50 0 JIAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccccc1 ZINC000035949502 569736174 /nfs/dbraw/zinc/73/61/74/569736174.db2.gz GJHRMGGQHAYERY-DEOSSOPVSA-N 0 0 450.583 4.049 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@H](c3ccccc3F)C2)c(OC)c1 ZINC000035961012 569736725 /nfs/dbraw/zinc/73/67/25/569736725.db2.gz POBFHIJMTNKWPX-DEOSSOPVSA-N 0 0 493.510 4.432 50 0 JIAARN COc1ccccc1[C@@H]1CC(c2ccccc2F)=NN1C(=O)CN(C)C(=O)c1cccc(F)c1 ZINC000035961078 569736830 /nfs/dbraw/zinc/73/68/30/569736830.db2.gz HBGMTRYAIXULPF-QHCPKHFHSA-N 0 0 463.484 4.423 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccco1)C(=O)c1ccc(OC)cc1 ZINC000035961248 569737002 /nfs/dbraw/zinc/73/70/02/569737002.db2.gz IQRAIDZCQASOCI-VWLOTQADSA-N 0 0 489.572 4.372 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)cc1OC ZINC000035961558 569737084 /nfs/dbraw/zinc/73/70/84/569737084.db2.gz UKYSNIIGNRYNAX-NRFANRHFSA-N 0 0 469.557 4.415 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1)C(=O)CC(C)(C)C ZINC000035961619 569737087 /nfs/dbraw/zinc/73/70/87/569737087.db2.gz KEFDIDSGBABBGE-QHCPKHFHSA-N 0 0 453.558 4.415 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cccs1)C(=O)c1cccs1 ZINC000035961569 569737094 /nfs/dbraw/zinc/73/70/94/569737094.db2.gz GYAAFHGIMHFXRF-LJQANCHMSA-N 0 0 471.579 4.415 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1)C(=O)c1ccccc1F ZINC000035961580 569737118 /nfs/dbraw/zinc/73/71/18/569737118.db2.gz JYTWSMKXINXIJJ-QFIPXVFZSA-N 0 0 483.540 4.493 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1)C(=O)C1CCCC1 ZINC000035961960 569737344 /nfs/dbraw/zinc/73/73/44/569737344.db2.gz ZNBPRFITHLJXNP-AREMUKBSSA-N 0 0 493.604 4.047 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1F)C(=O)CC(C)(C)C ZINC000035962008 569737350 /nfs/dbraw/zinc/73/73/50/569737350.db2.gz QZJDPVFLPGAYDR-XMMPIXPASA-N 0 0 483.584 4.423 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1OC)C(=O)CC(C)(C)C ZINC000035962481 569737743 /nfs/dbraw/zinc/73/77/43/569737743.db2.gz UPANNIKDQSJYAQ-DEOSSOPVSA-N 0 0 495.620 4.293 50 0 JIAARN CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)Nc3ccc(F)cc3)C2)[C@H](c2ccccc2)NC1=O ZINC000035964308 569738170 /nfs/dbraw/zinc/73/81/70/569738170.db2.gz RFVUVMHJQFZIDK-OFNKIYASSA-N 0 0 464.541 4.062 50 0 JIAARN CCN1C2=C(C(=O)N(CCC(=O)Nc3ccc(F)cc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035967576 569738878 /nfs/dbraw/zinc/73/88/78/569738878.db2.gz XBCGPKDHSFVJOA-NRFANRHFSA-N 0 0 490.457 4.056 50 0 JIAARN COc1cc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc2c1OCCO2 ZINC000096222819 569739780 /nfs/dbraw/zinc/73/97/80/569739780.db2.gz XULWHIMLVSCAFP-SFHVURJKSA-N 0 0 472.449 4.386 50 0 biogenic JIAARN COc1ccc2cc([C@@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccc(O)cc6)coc5c43)c(=O)[nH]c2c1 ZINC000096222871 569739793 /nfs/dbraw/zinc/73/97/93/569739793.db2.gz OYXDFXLKFXUXPJ-IBGZPJMESA-N 0 0 481.460 4.457 50 0 biogenic JIAARN CCOc1ccc(CCNC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1OCC ZINC000096577962 569741556 /nfs/dbraw/zinc/74/15/56/569741556.db2.gz UOFWBTIYPGAMHV-QBFSEMIESA-N 0 0 450.579 4.095 50 0 JIAARN O=C(c1cccc(F)c1)N(CCN1CCOCC1)Cc1nccn1Cc1ccc(Cl)cc1Cl ZINC000035979586 569741637 /nfs/dbraw/zinc/74/16/37/569741637.db2.gz DLIVIUWVLRTUTP-UHFFFAOYSA-N 0 0 491.394 4.352 50 0 JIAARN O=C(CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)o1)OCc1ccccc1 ZINC000096592393 569742020 /nfs/dbraw/zinc/74/20/20/569742020.db2.gz DOLBWYZFRZZTJD-XDJHFCHBSA-N 0 0 497.345 4.063 50 0 JIAARN 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ZINC000100937680 569776725 /nfs/dbraw/zinc/77/67/25/569776725.db2.gz IVTSBCYCGYQTKX-HSZRJFAPSA-N 0 0 463.559 4.150 50 0 JIAARN CCC1=C(C(=O)OC)[C@@H](c2ccc(C)cc2C)N2C(CC(=O)NC[C@@H]3CCCO3)=CSC2=N1 ZINC000100940760 569776953 /nfs/dbraw/zinc/77/69/53/569776953.db2.gz BSQGVECELOXXEE-FDDCHVKYSA-N 0 0 469.607 4.127 50 0 JIAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCc3ccccc3)N2[C@@H]1c1ccccc1 ZINC000100943943 569777174 /nfs/dbraw/zinc/77/71/74/569777174.db2.gz BGAHSQWHVIFOSW-RUZDIDTESA-N 0 0 491.613 4.200 50 0 JIAARN COC(=O)c1c2c(sc1NC(=O)c1ccc3c(c1)nc1n(c3=O)CCCCC1)CCCC2 ZINC000036613981 569778154 /nfs/dbraw/zinc/77/81/54/569778154.db2.gz KRIJWKVBQZWSMX-UHFFFAOYSA-N 0 0 451.548 4.102 50 0 JIAARN O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000036630106 569779319 /nfs/dbraw/zinc/77/93/19/569779319.db2.gz GHPHKFSEMFKEHM-LBPRGKRZSA-N 0 0 491.353 4.036 50 0 JIAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4c(C)onc4-c4ccccc4Cl)CC3)nc(C)n2)n1 ZINC000036705454 569780200 /nfs/dbraw/zinc/78/02/00/569780200.db2.gz CPOCTVJPRALFEA-UHFFFAOYSA-N 0 0 491.983 4.167 50 0 JIAARN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cc1OC ZINC000037242965 569781856 /nfs/dbraw/zinc/78/18/56/569781856.db2.gz HAOKTXOIGZTZHY-JIUFQBHHSA-N 0 0 465.546 4.341 50 0 biogenic JIAARN CC[C@H](C(=O)NC1CCN(c2ccccc2C(=O)NCc2cccnc2)CC1)c1ccccc1 ZINC000037276637 569782154 /nfs/dbraw/zinc/78/21/54/569782154.db2.gz CNVLTQVOUMWNBW-DEOSSOPVSA-N 0 0 456.590 4.290 50 0 JIAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(=O)CCc3ccccc3)CC2)cc1 ZINC000037276883 569782165 /nfs/dbraw/zinc/78/21/65/569782165.db2.gz IWXGQPWMLIUPNB-UHFFFAOYSA-N 0 0 485.628 4.386 50 0 JIAARN O=C(CCc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000037276585 569782221 /nfs/dbraw/zinc/78/22/21/569782221.db2.gz VAKLGOSSBKVWAH-UHFFFAOYSA-N 0 0 485.584 4.063 50 0 JIAARN CC(=O)N1CCN(C(=O)Cc2ccc(N(Cc3cccc(C)c3)C(=O)c3ccc(C)cc3)cc2)CC1 ZINC000037279501 569782498 /nfs/dbraw/zinc/78/24/98/569782498.db2.gz LUUDFJLSEDMWMR-UHFFFAOYSA-N 0 0 483.612 4.384 50 0 JIAARN Cc1cccc([C@@H]2c3cc(O[C@@H](C)C(=O)N4CCOCC4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000037281999 569782961 /nfs/dbraw/zinc/78/29/61/569782961.db2.gz PUNZOYXOILQQSB-KDYSTLNUSA-N 0 0 476.617 4.285 50 0 JIAARN C[C@H]1CN(c2cc(Oc3ccc(F)cc3Cl)ncn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000037357336 569783516 /nfs/dbraw/zinc/78/35/16/569783516.db2.gz YFSBKFKPTHPKNM-HNNXBMFYSA-N 0 0 458.896 4.480 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)c3ccccc3C)CC2)n1 ZINC000037379309 569784706 /nfs/dbraw/zinc/78/47/06/569784706.db2.gz CISLISRKPRVPDC-UHFFFAOYSA-N 0 0 472.568 4.486 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)C3CCC3)CC2)n1 ZINC000037379161 569784734 /nfs/dbraw/zinc/78/47/34/569784734.db2.gz XAAOGSJNBNORLX-UHFFFAOYSA-N 0 0 450.562 4.054 50 0 JIAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nc(-c3ccco3)nc3ccccc32)CC1 ZINC000037382151 569785068 /nfs/dbraw/zinc/78/50/68/569785068.db2.gz JOYRCLBSFNOMPK-UHFFFAOYSA-N 0 0 454.939 4.054 50 0 JIAARN COCCN(CCC(=O)NCc1ccccc1)c1nc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000037383417 569785382 /nfs/dbraw/zinc/78/53/82/569785382.db2.gz KUQCCIIEJUXHSC-UHFFFAOYSA-N 0 0 470.573 4.465 50 0 JIAARN CCOC(=O)[C@H](c1ccc(OC)c(OC)c1)[C@H]1C=C[C@@H](NC(=O)c2c(F)cc(F)cc2F)C1 ZINC000037383519 569785386 /nfs/dbraw/zinc/78/53/86/569785386.db2.gz NMQKNOQGDJRZLN-QSZISKGPSA-N 0 0 463.452 4.143 50 0 JIAARN COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000101192002 569786735 /nfs/dbraw/zinc/78/67/35/569786735.db2.gz AJNYBWGJDCFVOJ-QZTJIDSGSA-N 0 0 489.355 4.417 50 0 JIAARN Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)n(Cc2ccccc2C)c(C)c1N1CCOCC1 ZINC000037397419 569786850 /nfs/dbraw/zinc/78/68/50/569786850.db2.gz XNPVAQFAKVBJMZ-UHFFFAOYSA-N 0 0 490.623 4.400 50 0 JIAARN CCc1ccccc1-n1c(=O)c2ccccc2n(CC(=O)NCc2cccc(C(F)(F)F)c2)c1=O ZINC000037399676 569787879 /nfs/dbraw/zinc/78/78/79/569787879.db2.gz AFFRRMBLAJDFLG-UHFFFAOYSA-N 0 0 481.474 4.050 50 0 JIAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(C[C@H]3CCCO3)C(=O)c3cccs3)c2)cc1 ZINC000037399862 569787972 /nfs/dbraw/zinc/78/79/72/569787972.db2.gz DBNOETQANYZVBT-OAQYLSRUSA-N 0 0 487.599 4.346 50 0 JIAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(C[C@@H]2CCCO2)C(=O)CC(C)C)cc1 ZINC000037400409 569788133 /nfs/dbraw/zinc/78/81/33/569788133.db2.gz IUJMJERBRPFVGI-NRFANRHFSA-N 0 0 461.580 4.017 50 0 JIAARN COc1ccc(CN(C(=O)NC(C)(C)C)C(C)C)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037403230 569788492 /nfs/dbraw/zinc/78/84/92/569788492.db2.gz SYIVPXMQFNHUCT-UHFFFAOYSA-N 0 0 491.610 4.140 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000101268056 569788498 /nfs/dbraw/zinc/78/84/98/569788498.db2.gz GCEGBVWWMQCHPV-FDFHNCONSA-N 0 0 462.527 4.284 50 0 JIAARN CNC(=O)[C@]1(OCc2cccc(F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2cccc(Cl)c2)C1 ZINC000037423951 569788860 /nfs/dbraw/zinc/78/88/60/569788860.db2.gz SEWJZIYRALMEQT-XOEOCAAJSA-N 0 0 477.960 4.380 50 0 JIAARN CC[C@@H](C)NC(=O)CN1c2c(c(C(C)(C)C)nn2C)[C@@H](c2ccccc2Cl)SCC1=O ZINC000037425634 569789007 /nfs/dbraw/zinc/78/90/07/569789007.db2.gz SRAKCCQFMYXAGY-JLTOFOAXSA-N 0 0 463.047 4.455 50 0 JIAARN CC[C@H](C)NC(=O)CN1c2c(c(-c3ccccc3)nn2C)[C@@H](c2ccc(F)cc2F)SCC1=O ZINC000037425842 569789023 /nfs/dbraw/zinc/78/90/23/569789023.db2.gz NFRNRVGDABCCAX-IZHWHUGBSA-N 0 0 484.572 4.449 50 0 JIAARN Cc1s/c(=N\C(=O)c2ccccc2F)n(CC(=O)NCc2cccc(C(F)(F)F)c2)c1C ZINC000037428172 569789785 /nfs/dbraw/zinc/78/97/85/569789785.db2.gz SAQDLILMWKKZRX-HFTWOUSFSA-N 0 0 465.472 4.382 50 0 JIAARN CCN(CC)C(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4ccc(C)cc4)cc32)o1 ZINC000037510948 569791390 /nfs/dbraw/zinc/79/13/90/569791390.db2.gz KDGYAQCTTJAWKB-UHFFFAOYSA-N 0 0 476.529 4.257 50 0 JIAARN Cc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NC(C)C)o2)C(=O)CO3)c1C ZINC000037510609 569791402 /nfs/dbraw/zinc/79/14/02/569791402.db2.gz VBWVUGVEMOXJSY-UHFFFAOYSA-N 0 0 476.529 4.222 50 0 JIAARN Cc1ccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)N4CCCC4)o2)C(=O)CO3)cc1 ZINC000037511240 569791425 /nfs/dbraw/zinc/79/14/25/569791425.db2.gz SXGLDOAUZUKQKP-UHFFFAOYSA-N 0 0 474.513 4.011 50 0 JIAARN Cc1ccc(C)c(OCC(=O)c2ccc3c(c2)N([C@@H](C)C(=O)NC2CCCCC2)C(=O)CO3)c1 ZINC000037511450 569791558 /nfs/dbraw/zinc/79/15/58/569791558.db2.gz NEEYDJGQHWYVSU-IBGZPJMESA-N 0 0 464.562 4.128 50 0 JIAARN Cc1cccc(OCC(=O)c2ccc3c(c2)N([C@H](C)C(=O)N(C)Cc2ccccc2)C(=O)CO3)c1 ZINC000037511423 569791594 /nfs/dbraw/zinc/79/15/94/569791594.db2.gz NZMPPTWEVQVPGP-HXUWFJFHSA-N 0 0 472.541 4.029 50 0 JIAARN Cc1ccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NC(C)C)o2)C(=O)CO3)c(C)c1 ZINC000037511530 569791650 /nfs/dbraw/zinc/79/16/50/569791650.db2.gz OGMPJHPLKDWVQH-UHFFFAOYSA-N 0 0 476.529 4.222 50 0 JIAARN C[C@@H](NC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3ccccc3)cc21)c1ccccc1 ZINC000037512823 569792450 /nfs/dbraw/zinc/79/24/50/569792450.db2.gz KUXAFJZDUXKADW-HXUWFJFHSA-N 0 0 472.541 4.331 50 0 JIAARN CC(=O)c1ccc(-n2c(O)c3c(-c4ccc(Br)cc4)nn(-c4ccccc4)c3c2O)cc1 ZINC000101343616 569793586 /nfs/dbraw/zinc/79/35/86/569793586.db2.gz OXROJVIRBXWLAP-GMAHTHKFSA-N 0 0 488.341 4.434 50 0 JIAARN COc1ccc(Oc2c(CCC(=O)NC[C@H]3CCCO3)c(C)nn2-c2ccc(F)cc2)cc1 ZINC000037547267 569794467 /nfs/dbraw/zinc/79/44/67/569794467.db2.gz HPDFWZGFJPMDDU-JOCHJYFZSA-N 0 0 453.514 4.349 50 0 JIAARN Cc1ccc(N2CC(=O)[C@@H](C(=O)Nc3cc4c(cc3SC3CCCCC3)n(C)c(=O)n4C)C2)cc1 ZINC000101367792 569794503 /nfs/dbraw/zinc/79/45/03/569794503.db2.gz JLVTUJODRJSVFJ-FQEVSTJZSA-N 0 0 492.645 4.254 50 0 JIAARN CC(C)CC(=O)N1CCc2ccc(O[C@H](C)C(=O)NC[C@@H]3CCCO3)cc2[C@H]1c1cccc(F)c1 ZINC000037602992 569797720 /nfs/dbraw/zinc/79/77/20/569797720.db2.gz OCMMHVGQRPJBBH-BNAYCWRJSA-N 0 0 482.596 4.408 50 0 JIAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C(C)(C)C)CC2)C(=O)N1CCOCC1 ZINC000037604149 569798323 /nfs/dbraw/zinc/79/83/23/569798323.db2.gz GSCVVYKPKMJDEU-LOSJGSFVSA-N 0 0 482.596 4.362 50 0 JIAARN COc1ccc(-n2c(C[C@H]3c4cc(Br)ccc4N(C)C3=O)nc3ccccc3c2=O)cc1 ZINC000101471229 569798862 /nfs/dbraw/zinc/79/88/62/569798862.db2.gz NQUCNMAZXLMEKP-FQEVSTJZSA-N 0 0 490.357 4.460 50 0 JIAARN CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[n-]c1=S ZINC000101497518 569800637 /nfs/dbraw/zinc/80/06/37/569800637.db2.gz WPDVZUKIOFSVJK-QGZVFWFLSA-N 0 0 485.654 4.100 50 0 JIAARN COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NCCC[N@@H+]4CCCC[C@H]4C)c3=O)c2c1 ZINC000101497555 569800892 /nfs/dbraw/zinc/80/08/92/569800892.db2.gz WYQAOAMUHLVFOL-QGZVFWFLSA-N 0 0 485.654 4.100 50 0 JIAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3ccc(C)c(F)c3)CC2)c1 ZINC000038487422 569802025 /nfs/dbraw/zinc/80/20/25/569802025.db2.gz OZBRPAMTKRTHNV-UHFFFAOYSA-N 0 0 473.595 4.267 50 0 JIAARN Cc1ccc(Cn2c(=O)c3ccc(C(=O)NC[C@H](C)c4ccccc4)cc3nc2N2CCOCC2)cc1 ZINC000038487716 569802150 /nfs/dbraw/zinc/80/21/50/569802150.db2.gz PLKQOAOFHCHIHY-QFIPXVFZSA-N 0 0 496.611 4.123 50 0 JIAARN 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Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c2ccccc2)c1 ZINC000003260263 194254815 /nfs/dbraw/zinc/25/48/15/194254815.db2.gz HQPVFFRZZJIUCZ-JPYJTQIMSA-N 0 0 456.498 4.211 50 0 JIAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CCCc2ccccc21 ZINC000003263088 194255816 /nfs/dbraw/zinc/25/58/16/194255816.db2.gz QWDBVKYGSPXREL-UHFFFAOYSA-N 0 0 491.009 4.041 50 0 JIAARN CCN(C(=O)COC(=O)c1cc(I)ccc1O)c1cccc2ccccc21 ZINC000003274756 194259904 /nfs/dbraw/zinc/25/99/04/194259904.db2.gz AGXIYICVMBIKMK-UHFFFAOYSA-N 0 0 475.282 4.360 50 0 JIAARN CC(C)CCn1nc(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2c1=O ZINC000003279983 194261575 /nfs/dbraw/zinc/26/15/75/194261575.db2.gz GNAAJJMZWGWMNR-UHFFFAOYSA-N 0 0 477.439 4.137 50 0 JIAARN CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCC(C)C ZINC000003281259 194262011 /nfs/dbraw/zinc/26/20/11/194262011.db2.gz CKRNAHLRPLZDEL-IBGZPJMESA-N 0 0 495.576 4.102 50 0 JIAARN CC[C@H](C)c1ccc(-n2c(=O)c3ccc(Cl)cc3nc2SCC(=O)NCCOC)cc1 ZINC000003281123 194262112 /nfs/dbraw/zinc/26/21/12/194262112.db2.gz XAHCZGYYTOBCLF-HNNXBMFYSA-N 0 0 459.999 4.407 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000003281796 194262347 /nfs/dbraw/zinc/26/23/47/194262347.db2.gz DDZUCSGEDYYXNH-UHFFFAOYSA-N 0 0 491.521 4.081 50 0 JIAARN NC(=O)c1c(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)sc2c1CCC2 ZINC000003282413 194262716 /nfs/dbraw/zinc/26/27/16/194262716.db2.gz LHBHORYWTHGYAU-UHFFFAOYSA-N 0 0 482.945 4.016 50 0 JIAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1ccccc1OC(F)F)sc1c2CCCC1 ZINC000003283697 194263273 /nfs/dbraw/zinc/26/32/73/194263273.db2.gz PSCJTZNCHAYHLS-UHFFFAOYSA-N 0 0 495.573 4.315 50 0 JIAARN C[C@@H]1CCCCN1C(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000003300224 194272192 /nfs/dbraw/zinc/27/21/92/194272192.db2.gz WHKACARSKNYHLB-UTKZUKDTSA-N 0 0 450.564 4.273 50 0 JIAARN COc1ccc(NC(=O)[C@@H](OC(=O)CNC(=O)c2ccc(C)s2)c2ccccc2)cc1Cl ZINC000003303524 194273929 /nfs/dbraw/zinc/27/39/29/194273929.db2.gz FPFZEYWOKLQUAU-NRFANRHFSA-N 0 0 472.950 4.372 50 0 JIAARN COc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2Cl)cc1OC ZINC000003291602 194267489 /nfs/dbraw/zinc/26/74/89/194267489.db2.gz SXQUPLJENQWWOC-UHFFFAOYSA-N 0 0 495.988 4.465 50 0 JIAARN COc1cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000003294228 194269322 /nfs/dbraw/zinc/26/93/22/194269322.db2.gz DYYJHHCNIRXFOA-UHFFFAOYSA-N 0 0 483.348 4.362 50 0 JIAARN CCCn1c(SCC(=O)c2c(C)[nH]c(C)c2C(=O)OCC)nc2sc3c(c2c1=O)CCC3 ZINC000003318714 194279960 /nfs/dbraw/zinc/27/99/60/194279960.db2.gz IYWGYIFGZSVQFQ-UHFFFAOYSA-N 0 0 473.620 4.453 50 0 JIAARN O=C(COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@@H]1CCCc2ccccc21 ZINC000003325254 194282692 /nfs/dbraw/zinc/28/26/92/194282692.db2.gz UZUPYXFXUIWCFF-GOSISDBHSA-N 0 0 457.939 4.219 50 0 JIAARN O=C(OCc1csc(Nc2ccccc2)n1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000003336297 194288093 /nfs/dbraw/zinc/28/80/93/194288093.db2.gz TWRIEXLZRUZNHU-UHFFFAOYSA-N 0 0 463.606 4.092 50 0 JIAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)NCC(F)(F)F)sc2c3CCCC2)cc1 ZINC000003329532 194284783 /nfs/dbraw/zinc/28/47/83/194284783.db2.gz YTZWTVDPNVRCLA-UHFFFAOYSA-N 0 0 483.537 4.105 50 0 JIAARN COc1cccc(-n2c(=O)c3c(nc2SCC(=O)NCC(F)(F)F)sc2c3CCCC2)c1 ZINC000003329530 194284832 /nfs/dbraw/zinc/28/48/32/194284832.db2.gz VEVMOAJRCMXQAE-UHFFFAOYSA-N 0 0 483.537 4.105 50 0 JIAARN CC(=O)Nc1ccc2c(COC(=O)[C@@H](CC(C)C)NC(=O)c3ccc(Cl)cc3)cc(=O)oc2c1 ZINC000003335760 194287776 /nfs/dbraw/zinc/28/77/76/194287776.db2.gz VLZPZYULKYOKPO-OAQYLSRUSA-N 0 0 484.936 4.293 50 0 JIAARN O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc(Br)cc1Br ZINC000003315614 194278627 /nfs/dbraw/zinc/27/86/27/194278627.db2.gz BCTRWNRHPLYNNW-UHFFFAOYSA-N 0 0 475.158 4.418 50 0 JIAARN Cc1ccc2c(COC(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)cc(=O)oc2c1C ZINC000003347945 194294372 /nfs/dbraw/zinc/29/43/72/194294372.db2.gz BIUOIEPFBFJKHC-UHFFFAOYSA-N 0 0 477.538 4.245 50 0 JIAARN C[C@@H]1CSC(N(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)=N1 ZINC000003337339 194288665 /nfs/dbraw/zinc/28/86/65/194288665.db2.gz MVQJABNWLDJLJC-OXQOHEQNSA-N 0 0 478.039 4.408 50 0 JIAARN C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F)C(=O)NC(N)=O ZINC000003340933 194290443 /nfs/dbraw/zinc/29/04/43/194290443.db2.gz SCRQCKDHYMRJNU-SNVBAGLBSA-N 0 0 469.876 4.282 50 0 JIAARN COc1ccc(OC)c(C(=O)COC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccccc2Cl)c1 ZINC000003343895 194291777 /nfs/dbraw/zinc/29/17/77/194291777.db2.gz QKYRJNXDZUYUAM-QHCPKHFHSA-N 0 0 493.943 4.350 50 0 JIAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)N4CCc5ccccc5C4)cc3C2=O)c1 ZINC000003351968 194295920 /nfs/dbraw/zinc/29/59/20/194295920.db2.gz IXXGJJKGSAPUGN-LJQANCHMSA-N 0 0 482.536 4.234 50 0 JIAARN CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000003352843 194296735 /nfs/dbraw/zinc/29/67/35/194296735.db2.gz DLVHBMTZPWVICW-UHFFFAOYSA-N 0 0 462.575 4.170 50 0 JIAARN O=C(CCc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O)Nc1ccc2c(c1)OCO2 ZINC000003353714 194296899 /nfs/dbraw/zinc/29/68/99/194296899.db2.gz 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CCCCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2)nc2cc(C(=O)OC)ccc2c1=O ZINC000003370329 194305107 /nfs/dbraw/zinc/30/51/07/194305107.db2.gz JWTBZQFMKCRUTM-MRXNPFEDSA-N 0 0 453.564 4.411 50 0 JIAARN O=C(COC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)Nc1ccc2ccccc2c1 ZINC000003377586 194308343 /nfs/dbraw/zinc/30/83/43/194308343.db2.gz JVOCOYDMHQMHJU-SQJMNOBHSA-N 0 0 464.518 4.051 50 0 JIAARN C[C@H](OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000003384516 194310153 /nfs/dbraw/zinc/31/01/53/194310153.db2.gz QCJMQBLWFNRHPB-LBPRGKRZSA-N 0 0 464.952 4.051 50 0 JIAARN O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc(Br)cc1F ZINC000003398408 194312336 /nfs/dbraw/zinc/31/23/36/194312336.db2.gz CQKDIHZTISZOFL-UHFFFAOYSA-N 0 0 484.391 4.204 50 0 JIAARN Cc1cc(C(=O)CSc2nnc3[nH]c4ccccc4n32)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000003399779 194312695 /nfs/dbraw/zinc/31/26/95/194312695.db2.gz QLZZUFMQUHOUCV-KRWDZBQOSA-N 0 0 473.558 4.444 50 0 JIAARN CCc1ccccc1NC(=O)CN(C)C(=O)CSc1nn(-c2ccccc2)c(=S)s1 ZINC000003407014 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COc1ccc(C2=NN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)[C@H](c3ccco3)C2)cc1 ZINC000012766079 195113677 /nfs/dbraw/zinc/11/36/77/195113677.db2.gz FUPHGPLPPXPDEU-QFIPXVFZSA-N 0 0 458.470 4.460 50 0 JIAARN Cc1ccc(NC(=O)Cc2nc(CN(C)Cc3ccccc3N3CCOCC3)cs2)cc1 ZINC000012767569 195115082 /nfs/dbraw/zinc/11/50/82/195115082.db2.gz ISMBJJSEOLFZAV-UHFFFAOYSA-N 0 0 450.608 4.101 50 0 JIAARN Cc1ccc(NC(=O)CNc2ccc(OC(F)F)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000012771557 195117993 /nfs/dbraw/zinc/11/79/93/195117993.db2.gz SYEYKBQRFMYWIN-UHFFFAOYSA-N 0 0 467.538 4.212 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C(C)C)cc3)c12 ZINC000012772607 195118687 /nfs/dbraw/zinc/11/86/87/195118687.db2.gz MVVLAJTZFAYKCI-IBGZPJMESA-N 0 0 452.580 4.352 50 0 JIAARN CC(C)(C)c1ccc(Cn2nccc2NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000012773384 195119334 /nfs/dbraw/zinc/11/93/34/195119334.db2.gz FXTFGYCDBXWWNR-UHFFFAOYSA-N 0 0 498.624 4.407 50 0 JIAARN CCc1cccc(C)c1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000012777871 195122253 /nfs/dbraw/zinc/12/22/53/195122253.db2.gz GKRUCZKOAFNMAD-GOSISDBHSA-N 0 0 452.580 4.100 50 0 JIAARN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000012780301 195124044 /nfs/dbraw/zinc/12/40/44/195124044.db2.gz WLXMGLMMTQKJFL-XXBNENTESA-N 0 0 497.548 4.156 50 0 JIAARN Cc1sc2nc(CS[C@@H](C)C(=O)N3CCCN(C)c4nc5ccccc5nc43)[nH]c(=O)c2c1C ZINC000012782847 195125467 /nfs/dbraw/zinc/12/54/67/195125467.db2.gz BIZBTLZNOOXMRX-HNNXBMFYSA-N 0 0 494.646 4.039 50 0 JIAARN CC(C)[C@H](NC(=O)CSc1nnc(NCc2ccco2)s1)c1ccc2c(c1)OCCO2 ZINC000012782866 195125470 /nfs/dbraw/zinc/12/54/70/195125470.db2.gz KHPXPOQKYFNQSN-IBGZPJMESA-N 0 0 460.581 4.120 50 0 JIAARN O=C(c1ccc(F)cc1Br)N1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000012781858 195125048 /nfs/dbraw/zinc/12/50/48/195125048.db2.gz WJJNUTBWWGQHFD-UHFFFAOYSA-N 0 0 488.126 4.088 50 0 JIAARN C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012786003 195127966 /nfs/dbraw/zinc/12/79/66/195127966.db2.gz VLHQJYUFGLVVKX-MPBGBICISA-N 0 0 450.438 4.205 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccc(F)cc2Br)c1 ZINC000012785844 195128006 /nfs/dbraw/zinc/12/80/06/195128006.db2.gz GRFVMWDABHEJFJ-UHFFFAOYSA-N 0 0 493.782 4.290 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccc(Br)cc1 ZINC000012787601 195129243 /nfs/dbraw/zinc/12/92/43/195129243.db2.gz PZTNIDYGHFFUBR-UHFFFAOYSA-N 0 0 497.411 4.040 50 0 JIAARN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012790592 195131673 /nfs/dbraw/zinc/13/16/73/195131673.db2.gz RZBXKODVTWQDRZ-IBGZPJMESA-N 0 0 463.650 4.067 50 0 JIAARN COc1ccc(N(Cc2ccccc2)C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000012790743 195131572 /nfs/dbraw/zinc/13/15/72/195131572.db2.gz WJZITOUNJALDES-UHFFFAOYSA-N 0 0 450.560 4.327 50 0 JIAARN CN(C)C(=O)[C@@H]1CCCN1Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2)c1=S ZINC000012792242 195132996 /nfs/dbraw/zinc/13/29/96/195132996.db2.gz LJCJCMHAWOTBFJ-FQEVSTJZSA-N 0 0 456.015 4.293 50 0 JIAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)NCc3nnc4nc(C)cc(C)n34)cc12 ZINC000012793292 195133722 /nfs/dbraw/zinc/13/37/22/195133722.db2.gz PLZJCBORZPBISI-UHFFFAOYSA-N 0 0 485.495 4.399 50 0 JIAARN CCOc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000012794705 195134849 /nfs/dbraw/zinc/13/48/49/195134849.db2.gz DIFOHEMTBBOKNZ-DEOSSOPVSA-N 0 0 470.635 4.467 50 0 JIAARN Cc1cc(Br)c(NC(=O)Cn2nc(-c3cccs3)oc2=O)c(Br)c1 ZINC000012794842 195135042 /nfs/dbraw/zinc/13/50/42/195135042.db2.gz OJXPPRAVXLFGOP-UHFFFAOYSA-N 0 0 473.146 4.037 50 0 JIAARN CSCC[C@H](C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1)N1C(=O)c2ccccc2C1=O ZINC000012797137 195136698 /nfs/dbraw/zinc/13/66/98/195136698.db2.gz COCRXSGPWXTDRB-LJQANCHMSA-N 0 0 487.553 4.369 50 0 JIAARN COc1ccc(-c2nnc([C@H](C)OC(=O)c3cccc(CN4C(=O)c5ccccc5C4=O)c3)o2)cc1 ZINC000012805172 195140922 /nfs/dbraw/zinc/14/09/22/195140922.db2.gz HEIWBBLNJMXZEP-INIZCTEOSA-N 0 0 483.480 4.459 50 0 JIAARN CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000012804745 195140998 /nfs/dbraw/zinc/14/09/98/195140998.db2.gz UOUJSUQFNJPFGM-YTKTYBBXSA-N 0 0 451.611 4.298 50 0 JIAARN CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000012804757 195141006 /nfs/dbraw/zinc/14/10/06/195141006.db2.gz UOUJSUQFNJPFGM-SGRYQTQOSA-N 0 0 451.611 4.298 50 0 JIAARN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000012805525 195141318 /nfs/dbraw/zinc/14/13/18/195141318.db2.gz NGUOFFCLYVTEFZ-OBHPCNEJSA-N 0 0 492.523 4.435 50 0 JIAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 ZINC000012806743 195141996 /nfs/dbraw/zinc/14/19/96/195141996.db2.gz OBXDSGKTMOXJGE-UHFFFAOYSA-N 0 0 460.921 4.058 50 0 JIAARN Cc1ccc([C@@H](NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c2ccccc2)cc1C ZINC000012806621 195142059 /nfs/dbraw/zinc/14/20/59/195142059.db2.gz WIJKRQXMXPRJGQ-WNJJXGMVSA-N 0 0 467.569 4.293 50 0 JIAARN O=C(Nc1ccc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)cc1)c1ccco1 ZINC000012807301 195142282 /nfs/dbraw/zinc/14/22/82/195142282.db2.gz KXCOIOJZGBQQGJ-UHFFFAOYSA-N 0 0 474.380 4.314 50 0 JIAARN COc1ccc(-c2noc(CN3CCN(C(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)CC3)n2)cc1 ZINC000012809559 195143485 /nfs/dbraw/zinc/14/34/85/195143485.db2.gz ABUJNLUVXFWPQN-OAHLLOKOSA-N 0 0 491.375 4.164 50 0 JIAARN CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)Nc2cc3oc4ccccc4c3cc2OC)c1C ZINC000012812912 195145210 /nfs/dbraw/zinc/14/52/10/195145210.db2.gz FUMZLKGZEHKIPF-UHFFFAOYSA-N 0 0 484.578 4.077 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN(CC(=O)Nc1c(C)cccc1C)Cc1nc(-c2cccnc2)no1 ZINC000012821014 195149320 /nfs/dbraw/zinc/14/93/20/195149320.db2.gz RUIKSFPUAMSLJK-UHFFFAOYSA-N 0 0 498.587 4.445 50 0 JIAARN CCc1nn2c(nc(CSc3nnc(-c4cccnc4)n3[C@H]3CCCC[C@@H]3C)cc2=O)s1 ZINC000012821924 195149856 /nfs/dbraw/zinc/14/98/56/195149856.db2.gz PIYMPOBUMUKDQM-YOEHRIQHSA-N 0 0 467.624 4.410 50 0 JIAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cncn1-c1ccc(F)cc1 ZINC000012822603 195150017 /nfs/dbraw/zinc/15/00/17/195150017.db2.gz GUQCKJHAPFGVNQ-UHFFFAOYSA-N 0 0 462.934 4.092 50 0 JIAARN Cc1cc(-c2csc(Cc3ccccc3)n2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000012844922 195151748 /nfs/dbraw/zinc/15/17/48/195151748.db2.gz QTOZEOUJVVQXLV-UHFFFAOYSA-N 0 0 469.570 4.450 50 0 JIAARN O=C(OCCN1C(=O)CNC1=O)c1c2c(nc3ccccc31)C(=Cc1ccc(Cl)cc1)CC2 ZINC000012847707 195152999 /nfs/dbraw/zinc/15/29/99/195152999.db2.gz XSTJWKZZUAMCBD-DTQAZKPQSA-N 0 0 461.905 4.084 50 0 JIAARN CCOc1ccccc1-n1nnnc1SCC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000012849715 195154015 /nfs/dbraw/zinc/15/40/15/195154015.db2.gz DQZFIHQQJPBVBG-UHFFFAOYSA-N 0 0 459.575 4.401 50 0 JIAARN CNC(=O)CN(c1cc(OC(C)C)c(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012856482 195157769 /nfs/dbraw/zinc/15/77/69/195157769.db2.gz JWSZUYCUHUVUJV-UHFFFAOYSA-N 0 0 465.786 4.375 50 0 JIAARN COc1ccc(-n2c(SCC(=O)N(C)C3CCCCC3)nc3ccccc3c2=O)cc1OC ZINC000012859034 195158824 /nfs/dbraw/zinc/15/88/24/195158824.db2.gz PBENHOKJNCIBNE-UHFFFAOYSA-N 0 0 467.591 4.286 50 0 JIAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(Cc2ccc(Cl)cc2Cl)C(=O)[C@]31C ZINC000012865915 195161442 /nfs/dbraw/zinc/16/14/42/195161442.db2.gz PXQUSOFHOFOBAS-QHCPKHFHSA-N 0 0 458.345 4.126 50 0 biogenic JIAARN O=C(C[C@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccc(Br)cc1 ZINC000012868666 195162613 /nfs/dbraw/zinc/16/26/13/195162613.db2.gz NNZZKWLIYNFFLT-XMMPIXPASA-N 0 0 480.314 4.185 50 0 JIAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000012870637 195163458 /nfs/dbraw/zinc/16/34/58/195163458.db2.gz ISSRXLYHJKAISM-BXKTYXQLSA-N 0 0 454.592 4.190 50 0 biogenic JIAARN COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2ccccc2I)c1 ZINC000012871104 195163569 /nfs/dbraw/zinc/16/35/69/195163569.db2.gz DFRNUGAAWBRCGX-GOSISDBHSA-N 0 0 466.319 4.084 50 0 JIAARN COc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)cc1OC ZINC000012873525 195164631 /nfs/dbraw/zinc/16/46/31/195164631.db2.gz KIKITDFRYVGJKD-UHFFFAOYSA-N 0 0 456.564 4.204 50 0 JIAARN CCCN1CC(=O)N2C[C@@H](c3cccc(OC)c3OCC)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012874235 195165135 /nfs/dbraw/zinc/16/51/35/195165135.db2.gz WGZNBYLHSDTHGL-PPHZAIPVSA-N 0 0 461.562 4.017 50 0 biogenic JIAARN COc1cccc([C@@H]2CN3C(=O)CN(CCC(C)C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC ZINC000012878196 195167348 /nfs/dbraw/zinc/16/73/48/195167348.db2.gz WYGHZCYVLLKEDX-MMTVBGGISA-N 0 0 475.589 4.263 50 0 biogenic JIAARN CCN1CC(=O)N2C[C@@H](c3ccc(OC(C)C)c(OC)c3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012880238 195167823 /nfs/dbraw/zinc/16/78/23/195167823.db2.gz NKTVOUJVPHUOPY-PPHZAIPVSA-N 0 0 461.562 4.015 50 0 biogenic JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)c1 ZINC000012899328 195176895 /nfs/dbraw/zinc/17/68/95/195176895.db2.gz KOBLSWOKRGSQOF-UHFFFAOYSA-N 0 0 476.023 4.227 50 0 JIAARN COc1cc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)cc(Cl)c1OC(C)C ZINC000012886396 195170777 /nfs/dbraw/zinc/17/07/77/195170777.db2.gz FQIIGYAVROJELR-OKILXGFUSA-N 0 0 453.992 4.454 50 0 JIAARN COc1ccc(CNC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)c(OC)c1 ZINC000012887000 195170975 /nfs/dbraw/zinc/17/09/75/195170975.db2.gz ORWOSDBPGPYDSC-UHFFFAOYSA-N 0 0 451.519 4.081 50 0 biogenic JIAARN C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCC1=CCCCC1 ZINC000012887652 195171143 /nfs/dbraw/zinc/17/11/43/195171143.db2.gz DROJOGMMZLHURQ-OTGIWPJISA-N 0 0 496.611 4.149 50 0 biogenic JIAARN COc1ccc(CCCN(C)C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1OC ZINC000012887343 195171266 /nfs/dbraw/zinc/17/12/66/195171266.db2.gz KPWFKAULYLDQHP-UHFFFAOYSA-N 0 0 470.591 4.478 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000012891568 195173307 /nfs/dbraw/zinc/17/33/07/195173307.db2.gz JOZQGTAEIGRSPL-QHCPKHFHSA-N 0 0 465.619 4.040 50 0 JIAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)Nc4ccc5oc(=O)ccc5c4)c12)OC(C)(C)CC3 ZINC000012892129 195173707 /nfs/dbraw/zinc/17/37/07/195173707.db2.gz MUOQKCBZAVUBPZ-UHFFFAOYSA-N 0 0 461.470 4.329 50 0 biogenic JIAARN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012892636 195173919 /nfs/dbraw/zinc/17/39/19/195173919.db2.gz MRXDBJRIGKZUHN-NRFANRHFSA-N 0 0 450.963 4.147 50 0 JIAARN CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)C(=O)NC1CC1 ZINC000012894918 195174978 /nfs/dbraw/zinc/17/49/78/195174978.db2.gz YFCLQDZVHFOVQY-WGXRPPGPSA-N 0 0 465.594 4.054 50 0 biogenic JIAARN O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012895424 195175198 /nfs/dbraw/zinc/17/51/98/195175198.db2.gz AWFLBSWDMNJRHB-HSZRJFAPSA-N 0 0 469.994 4.290 50 0 JIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1 ZINC000012896495 195175291 /nfs/dbraw/zinc/17/52/91/195175291.db2.gz VIQNGJARIAPVIK-QGZVFWFLSA-N 0 0 450.988 4.054 50 0 JIAARN COc1ccc2cc(CN(C)C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)ccc2c1 ZINC000012900638 195177393 /nfs/dbraw/zinc/17/73/93/195177393.db2.gz VZPGTKSUUJELSF-UHFFFAOYSA-N 0 0 470.566 4.047 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCc3sccc3[C@@H]2C2CC2)c1 ZINC000012903630 195178511 /nfs/dbraw/zinc/17/85/11/195178511.db2.gz OVMKNQWZVMQRDX-QHCPKHFHSA-N 0 0 461.653 4.035 50 0 JIAARN O=C(Nc1ccc(C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1)c1cccs1 ZINC000012905030 195179112 /nfs/dbraw/zinc/17/91/12/195179112.db2.gz KVRVQLONGWQKCT-JOCHJYFZSA-N 0 0 475.570 4.421 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)cc1 ZINC000012904795 195179134 /nfs/dbraw/zinc/17/91/34/195179134.db2.gz SPRQMVLLQZNZBT-UHFFFAOYSA-N 0 0 470.938 4.288 50 0 JIAARN Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n1 ZINC000020617089 195188913 /nfs/dbraw/zinc/18/89/13/195188913.db2.gz UMTIUFPDADCHBR-QMMMGPOBSA-N 0 0 453.412 4.243 50 0 JIAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)Nc1ccc(CN2CCOCC2)cc1 ZINC000020624143 195191055 /nfs/dbraw/zinc/19/10/55/195191055.db2.gz DFXNKFZXGBJOBE-UHFFFAOYSA-N 0 0 482.964 4.175 50 0 JIAARN Cc1cccc(CS(=O)(=O)C[C@@H]2Nc3ccc(C(=O)NC4CCCCCCC4)cc3NC2=O)c1 ZINC000020680260 195203858 /nfs/dbraw/zinc/20/38/58/195203858.db2.gz GKTUYTQXSOADDT-DEOSSOPVSA-N 0 0 483.634 4.185 50 0 JIAARN COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1F ZINC000020722056 195206723 /nfs/dbraw/zinc/20/67/23/195206723.db2.gz MBOANVOIPXVEON-LJQANCHMSA-N 0 0 473.302 4.278 50 0 JIAARN COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000020726100 195207315 /nfs/dbraw/zinc/20/73/15/195207315.db2.gz PCZUUFFDLCDXOZ-IBGZPJMESA-N 0 0 460.412 4.275 50 0 JIAARN COc1c(F)cc2c(=O)c(C(=O)N3CCC(Cc4ccccc4)CC3)cn(CCF)c2c1F ZINC000020725673 195207492 /nfs/dbraw/zinc/20/74/92/195207492.db2.gz WNIWRUDVPQRVRH-UHFFFAOYSA-N 0 0 458.480 4.353 50 0 JIAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)Sc1nnc(C(F)(F)F)n1N ZINC000020817819 195229410 /nfs/dbraw/zinc/22/94/10/195229410.db2.gz NQSGPEABEDSSNX-SNVBAGLBSA-N 0 0 485.513 4.035 50 0 JIAARN O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1 ZINC000020850786 195231084 /nfs/dbraw/zinc/23/10/84/195231084.db2.gz 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COc1ccc(NC(=O)c2cc3sc4ccccc4c3s2)c(N2CCN(C(C)=O)CC2)n1 ZINC000058215196 195373766 /nfs/dbraw/zinc/37/37/66/195373766.db2.gz KDHXRXOFHAUAPU-UHFFFAOYSA-N 0 0 466.588 4.440 50 0 JIAARN COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3)C2)c1 ZINC000021540675 195313749 /nfs/dbraw/zinc/31/37/49/195313749.db2.gz CGBPPYVYPMDTHA-AIGDTVQASA-N 0 0 481.574 4.201 50 0 JIAARN O=c1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000021540892 195313991 /nfs/dbraw/zinc/31/39/91/195313991.db2.gz QSZXKXBWGSVOGU-UHFFFAOYSA-N 0 0 495.004 4.352 50 0 JIAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000021540789 195314023 /nfs/dbraw/zinc/31/40/23/195314023.db2.gz KKDBPCZPJOBPMT-VYENPZKTSA-N 0 0 469.563 4.403 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(Cl)ccc3F)c12 ZINC000021542171 195314029 /nfs/dbraw/zinc/31/40/29/195314029.db2.gz YEAOZRZIKOLUJM-AWEZNQCLSA-N 0 0 462.934 4.022 50 0 JIAARN 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Cc1ccc(CNC(=O)c2ccc(-n3ccnc3SCC(=O)NCc3ccco3)cc2)cc1 ZINC000096324466 130069525 /nfs/dbraw/zinc/06/95/25/130069525.db2.gz MCRYRNLIWCFCMX-UHFFFAOYSA-N 0 0 460.559 4.112 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)C=Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000096446587 130080865 /nfs/dbraw/zinc/08/08/65/130080865.db2.gz CQNNLLXLCUVASY-QXMHVHEDSA-N 0 0 467.497 4.189 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000102862091 130333398 /nfs/dbraw/zinc/33/33/98/130333398.db2.gz RTCSXXQUPAKSCE-TZRRMPRUSA-N 0 0 456.498 4.223 50 0 JIAARN COc1ccc(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000102898307 130379885 /nfs/dbraw/zinc/37/98/85/130379885.db2.gz SJANZDIUTBZXRJ-PXDATVDWSA-N 0 0 462.889 4.438 50 0 JIAARN Cc1ccccc1-c1nnc2c3ccccc3nc(N3CCN(C(=O)c4cccc(F)c4)CC3)n12 ZINC000103413196 130633053 /nfs/dbraw/zinc/63/30/53/130633053.db2.gz JEMTTYXYYJBAJM-UHFFFAOYSA-N 0 0 466.520 4.354 50 0 JIAARN COc1ccc(OC)c(-n2c(N)c(C(=O)NCc3ccccc3OC)c3nc4ccccc4nc32)c1 ZINC000008871061 518156967 /nfs/dbraw/zinc/15/69/67/518156967.db2.gz DEHLQKQLMWEXGZ-UHFFFAOYSA-N 0 0 483.528 4.112 50 0 JIAARN CC(=O)c1ccc(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)CSc2ncccn2)C3)s1 ZINC000014986955 518294834 /nfs/dbraw/zinc/29/48/34/518294834.db2.gz DGVKDKTZSPHTBQ-HNNXBMFYSA-N 0 0 459.980 4.273 50 0 JIAARN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000006141973 518378602 /nfs/dbraw/zinc/37/86/02/518378602.db2.gz LPBJJTBOULVIQP-KRWDZBQOSA-N 0 0 498.532 4.322 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000023074932 518401019 /nfs/dbraw/zinc/40/10/19/518401019.db2.gz BQOCTMLBCAPPKE-UHFFFAOYSA-N 0 0 471.406 4.255 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N2CCOc3ccc(COCc4ccccc4)cc3C2)cc1 ZINC000033170905 518404395 /nfs/dbraw/zinc/40/43/95/518404395.db2.gz ZJNQLAQMPOWTHJ-UHFFFAOYSA-N 0 0 451.544 4.189 50 0 JIAARN CC(=O)c1cccc(NC(=O)CSc2nnc3c4cc(-c5ccc(C)cc5)nn4ccn23)c1 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CC(C)C(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O ZINC000033087971 519530940 /nfs/dbraw/zinc/53/09/40/519530940.db2.gz DCLKYKLXOLPYDK-UHFFFAOYSA-N 0 0 458.493 4.436 50 0 JIAARN CC(=O)N1CCc2c(sc3nc(SCc4ccc(F)cc4)n(Cc4ccco4)c(=O)c32)C1 ZINC000020132275 519629696 /nfs/dbraw/zinc/62/96/96/519629696.db2.gz JRXSABIBBMNQOV-UHFFFAOYSA-N 0 0 469.563 4.435 50 0 JIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc(Cl)ccc2OCCOc2c(C)cccc2C)S1 ZINC000020896150 519643629 /nfs/dbraw/zinc/64/36/29/519643629.db2.gz VRSSXXDPCKKRJN-OAQYLSRUSA-N 0 0 461.971 4.416 50 0 JIAARN CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)cc2C1=O ZINC000014357488 519653051 /nfs/dbraw/zinc/65/30/51/519653051.db2.gz UVQFOFAZGJGSBN-BBXRDKHSSA-N 0 0 480.605 4.207 50 0 JIAARN CC(C)CCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000045899187 519656546 /nfs/dbraw/zinc/65/65/46/519656546.db2.gz FZUVVFVAHKEALH-UHFFFAOYSA-N 0 0 473.548 4.045 50 0 JIAARN CC(C)CC[C@]1(C2CCN(C(=O)CC3CCCC3)CC2)NC(=O)N(Cc2ccccn2)C1=O 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/nfs/dbraw/zinc/71/01/08/519710108.db2.gz LSILDXVRRGJPTC-NRFANRHFSA-N 0 0 461.603 4.468 50 0 JIAARN CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2ccc(F)cc2C)c1=O ZINC000033087948 519713278 /nfs/dbraw/zinc/71/32/78/519713278.db2.gz GYDINLCLBBBOBC-UHFFFAOYSA-N 0 0 458.493 4.417 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1 ZINC000016890469 519722701 /nfs/dbraw/zinc/72/27/01/519722701.db2.gz PCUFIIPFKUVURQ-UHFFFAOYSA-N 0 0 478.553 4.025 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(Br)cc2)cc1 ZINC000016818995 519730981 /nfs/dbraw/zinc/73/09/81/519730981.db2.gz WEBOCIKMGKZDSV-OAQYLSRUSA-N 0 0 474.380 4.003 50 0 JIAARN CC(=O)Nc1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000022621426 519732374 /nfs/dbraw/zinc/73/23/74/519732374.db2.gz UTTWIHKZHPFBKR-UHFFFAOYSA-N 0 0 453.486 4.231 50 0 JIAARN CC(=O)Nc1ccc2c(CSc3nnc(N4CCCCC4)n3Cc3ccco3)cc(=O)oc2c1 ZINC000014804085 519734264 /nfs/dbraw/zinc/73/42/64/519734264.db2.gz ZGIHYNUCAGCWQC-UHFFFAOYSA-N 0 0 479.562 4.267 50 0 JIAARN CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000035461592 519753695 /nfs/dbraw/zinc/75/36/95/519753695.db2.gz WBXZKNYOIHARBD-UHFFFAOYSA-N 0 0 451.548 4.395 50 0 JIAARN CC(C)[C@@H](NC(=O)C[S@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)c1cccs1 ZINC000021651135 519797292 /nfs/dbraw/zinc/79/72/92/519797292.db2.gz SRBLBUUOJHKHQX-HEIROHQZSA-N 0 0 466.632 4.487 50 0 JIAARN CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)c1ccccc1 ZINC000008876249 519819831 /nfs/dbraw/zinc/81/98/31/519819831.db2.gz UGJPRYZJYHYVFF-NENVWEAUSA-N 0 0 465.619 4.053 50 0 biogenic JIAARN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1nc2ccccc2[nH]1 ZINC000040556186 519820222 /nfs/dbraw/zinc/82/02/22/519820222.db2.gz MVXXRSWWDDCKJQ-VWLOTQADSA-N 0 0 488.613 4.437 50 0 JIAARN CC(C)c1cc(N2CCOCC2)nc(SCc2ccc(C(=O)NCc3ccccn3)cc2)n1 ZINC000036049764 519833178 /nfs/dbraw/zinc/83/31/78/519833178.db2.gz OOKCUZZXGGPOFF-UHFFFAOYSA-N 0 0 463.607 4.054 50 0 JIAARN CC(C)c1ccc(NC(=O)CCn2c3ccc(S(=O)(=O)N(C)C)cc3nc2C(F)(F)F)cc1 ZINC000035481799 519836987 /nfs/dbraw/zinc/83/69/87/519836987.db2.gz RWXYAZXXTKGVGQ-UHFFFAOYSA-N 0 0 482.528 4.458 50 0 JIAARN CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)cc1 ZINC000021871250 519836988 /nfs/dbraw/zinc/83/69/88/519836988.db2.gz FIYJZEIASVLNLC-SFHVURJKSA-N 0 0 483.634 4.147 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3ccccc3)n2)cc1 ZINC000021708255 519838626 /nfs/dbraw/zinc/83/86/26/519838626.db2.gz DINQUCPMPWDKKC-OAQYLSRUSA-N 0 0 487.672 4.314 50 0 JIAARN CC(C)c1nc2cccnc2n1CCN1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000033139849 519869704 /nfs/dbraw/zinc/86/97/04/519869704.db2.gz BEWMRRBHWUQHDT-UHFFFAOYSA-N 0 0 471.403 4.167 50 0 JIAARN CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2I)c1 ZINC000014831671 519879750 /nfs/dbraw/zinc/87/97/50/519879750.db2.gz IZIYHHDRICJIQE-UHFFFAOYSA-N 0 0 467.332 4.157 50 0 JIAARN CCCC1(CCC)NC(=O)N(CC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)C1=O ZINC000036806130 519888926 /nfs/dbraw/zinc/88/89/26/519888926.db2.gz NIMRDHCIIJUJFH-LJQANCHMSA-N 0 0 467.566 4.018 50 0 JIAARN CCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)C1 ZINC000021710979 519895509 /nfs/dbraw/zinc/89/55/09/519895509.db2.gz WVMBJEXAVNGUFK-FQEVSTJZSA-N 0 0 485.650 4.163 50 0 JIAARN CCN(C(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1)c1ccccc1 ZINC000021880560 519901137 /nfs/dbraw/zinc/90/11/37/519901137.db2.gz GQTUWHUGBDFYJQ-UHFFFAOYSA-N 0 0 450.539 4.019 50 0 JIAARN CCCNC(=O)c1ccc2c(c1)nc(SCc1ccccc1F)n(C[C@@H]1CCCO1)c2=O ZINC000033269167 519901628 /nfs/dbraw/zinc/90/16/28/519901628.db2.gz KWQHVZPVUMGRLH-SFHVURJKSA-N 0 0 455.555 4.147 50 0 JIAARN CCCCC(=O)N1CCN(c2nc(CCCC)nc3c2c(C)nn3-c2ccc(F)cc2)CC1 ZINC000037379374 519908179 /nfs/dbraw/zinc/90/81/79/519908179.db2.gz IVZGTTVVMHLDPT-UHFFFAOYSA-N 0 0 452.578 4.444 50 0 JIAARN CC(C)n1c(=O)c2c(nc1SCC(=O)Nc1ccc3c(c1)OCCO3)c(-c1ccccc1)cn2C ZINC000033273911 519918875 /nfs/dbraw/zinc/91/88/75/519918875.db2.gz YYGKWFCPZOZRGO-UHFFFAOYSA-N 0 0 490.585 4.485 50 0 JIAARN CC(C)n1cnc2nc(COc3ccc(NC(=O)c4cccc(Br)c4)cc3)cc(=O)n21 ZINC000021796962 520052437 /nfs/dbraw/zinc/05/24/37/520052437.db2.gz KNTRFDQYZZGPDP-UHFFFAOYSA-N 0 0 482.338 4.066 50 0 JIAARN CC(C)n1cnc2nc(CSc3ccccc3NC(=O)COc3ccc(Cl)cc3)cc(=O)n21 ZINC000033014347 520055433 /nfs/dbraw/zinc/05/54/33/520055433.db2.gz YHTUEKWCAXDLDQ-UHFFFAOYSA-N 0 0 483.981 4.435 50 0 JIAARN CCOC[C@@H](O)CN(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036302570 520092006 /nfs/dbraw/zinc/09/20/06/520092006.db2.gz COYLCECTWAOKNY-QFIPXVFZSA-N 0 0 483.609 4.081 50 0 JIAARN CCCNc1cnc2c(c1)c(NC(=O)[C@@H]1CCCO1)c(C(=O)OC)n2CCCc1ccccc1 ZINC000014745629 520186540 /nfs/dbraw/zinc/18/65/40/520186540.db2.gz ILPZHIXPOAMXFU-NRFANRHFSA-N 0 0 464.566 4.395 50 0 JIAARN CCCCN(C(=O)CCc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC(C)C)c1ccccc1 ZINC000014717450 520341899 /nfs/dbraw/zinc/34/18/99/520341899.db2.gz PNVUCACVUSZNPL-UHFFFAOYSA-N 0 0 467.614 4.108 50 0 JIAARN CCCOc1ccc(CN(C(=O)c2ccccc2Br)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016741687 520345791 /nfs/dbraw/zinc/34/57/91/520345791.db2.gz RIEOARXYCFWWHQ-QGZVFWFLSA-N 0 0 466.397 4.067 50 0 JIAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCn1c(=O)oc2cc(Cl)ccc21 ZINC000012485093 520352564 /nfs/dbraw/zinc/35/25/64/520352564.db2.gz BQXDSMKYMOCHHB-UHFFFAOYSA-N 0 0 470.740 4.432 50 0 JIAARN CCCOc1ccc(Cn2c3nn(Cc4ccccc4Cl)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946615 520381227 /nfs/dbraw/zinc/38/12/27/520381227.db2.gz DMMPEINAEMUOHV-UHFFFAOYSA-N 0 0 480.977 4.411 50 0 JIAARN CCN(CC)C(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3ccccc3C)c2=O)CC1 ZINC000021628807 520442446 /nfs/dbraw/zinc/44/24/46/520442446.db2.gz WIAIHKAPFHCDHR-UHFFFAOYSA-N 0 0 467.635 4.256 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000033400662 520483602 /nfs/dbraw/zinc/48/36/02/520483602.db2.gz VFLGDFBZSNCDKQ-SRKIZSPNSA-N 0 0 487.408 4.414 50 0 JIAARN CCN(CC)C(=O)CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1 ZINC000016448324 520495619 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CNC(=O)CSc1nnc(-c2cc(Cl)ccc2OC)n1-c1ccc(OC)c(Cl)c1 ZINC000008759892 524075337 /nfs/dbraw/zinc/07/53/37/524075337.db2.gz VPNRRSINWLEBKA-UHFFFAOYSA-N 0 0 453.351 4.096 50 0 JIAARN Cc1cccc(-c2ccc(S(=O)(=O)Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3)cc2)c1 ZINC000033130266 524110588 /nfs/dbraw/zinc/11/05/88/524110588.db2.gz VDHPUSHCPAFOEH-QHCPKHFHSA-N 0 0 450.560 4.372 50 0 JIAARN Cc1cccc(-c2nc(SCc3noc(CCC(=O)Nc4cc(F)ccc4C)n3)n[nH]2)c1 ZINC000033270902 524116358 /nfs/dbraw/zinc/11/63/58/524116358.db2.gz XSVGIYDKCPESOU-UHFFFAOYSA-N 0 0 452.515 4.474 50 0 JIAARN COc1ccc(COc2ccc3c(C)c(CC(=O)N4CC[C@]5(O)CCCC[C@@H]5C4)c(=O)oc3c2)cc1 ZINC000002108545 524119217 /nfs/dbraw/zinc/11/92/17/524119217.db2.gz AKZQULGYZCMNOE-ONOMSOESSA-N 0 0 491.584 4.385 50 0 biogenic JIAARN Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(CC(=O)NC[C@H]3CCCO3)CC2)c1 ZINC000033115207 524122631 /nfs/dbraw/zinc/12/26/31/524122631.db2.gz WWMBIVJKHGGGKP-RUZDIDTESA-N 0 0 486.616 4.385 50 0 JIAARN COc1ccc(CSc2nccc3c2ccn3CC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000033298643 524126975 /nfs/dbraw/zinc/12/69/75/524126975.db2.gz KFXPLDTYGBDULP-UHFFFAOYSA-N 0 0 473.602 4.081 50 0 JIAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000064947065 524127758 /nfs/dbraw/zinc/12/77/58/524127758.db2.gz HWZIVSQWNJSSAN-UHFFFAOYSA-N 0 0 473.595 4.267 50 0 JIAARN COc1ccc(CSc2nnc3n2c2sc4c(c2c(=O)n3-c2ccccc2)CCN(C)C4)cc1 ZINC000020394701 524129616 /nfs/dbraw/zinc/12/96/16/524129616.db2.gz DZRWBAZACSPMRQ-UHFFFAOYSA-N 0 0 489.626 4.384 50 0 JIAARN Cc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc4c(c3)OCCO4)n2)c1 ZINC000038651859 524130238 /nfs/dbraw/zinc/13/02/38/524130238.db2.gz SPLXJRGXZSSESS-UHFFFAOYSA-N 0 0 469.544 4.370 50 0 JIAARN Cc1cccc(-n2c(=O)c3sccc3n(Cc3nc(-c4ccc(OC(C)C)cc4)no3)c2=O)c1 ZINC000048987568 524137402 /nfs/dbraw/zinc/13/74/02/524137402.db2.gz DCEJPURIDRHNOK-UHFFFAOYSA-N 0 0 474.542 4.408 50 0 JIAARN COc1ccc(C[C@@]2(CCC(=O)NCCc3ccccc3C(F)(F)F)CCC(=O)N2)cc1OC ZINC000014954615 524143744 /nfs/dbraw/zinc/14/37/44/524143744.db2.gz MSXKAEOMBJXDGT-XMMPIXPASA-N 0 0 478.511 4.053 50 0 JIAARN COc1cccc([C@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(F)cc2)c1 ZINC000067319789 524149980 /nfs/dbraw/zinc/14/99/80/524149980.db2.gz JVEXEMXTHXKMCG-HNNXBMFYSA-N 0 0 466.538 4.139 50 0 JIAARN COc1ccc(Cc2nnc(SCc3csc(-c4ccc(OC)c(OC)c4)n3)n2N)cc1 ZINC000016047379 524167525 /nfs/dbraw/zinc/16/75/25/524167525.db2.gz RIRSGMXGYPSJFW-UHFFFAOYSA-N 0 0 469.592 4.024 50 0 JIAARN COc1cccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000036060253 524178988 /nfs/dbraw/zinc/17/89/88/524178988.db2.gz GZXAWWCVYKZALO-PKTZIBPZSA-N 0 0 492.959 4.250 50 0 JIAARN Cc1cccc(C(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)c1 ZINC000019939388 524213199 /nfs/dbraw/zinc/21/31/99/524213199.db2.gz ZJPLPRDBLSSRMQ-XMMPIXPASA-N 0 0 451.448 4.473 50 0 JIAARN COc1ccc(Cl)cc1N1CCN(c2nnc(C(=O)NC3CCCC3)c3ccccc32)CC1 ZINC000034839090 524217954 /nfs/dbraw/zinc/21/79/54/524217954.db2.gz DROYSQGJWSYGAG-UHFFFAOYSA-N 0 0 465.985 4.291 50 0 JIAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3cc(Cl)c4c(c3)OCCCO4)cc2)C1 ZINC000016708087 524242824 /nfs/dbraw/zinc/24/28/24/524242824.db2.gz FLVNUZFIBNUKBT-MRXNPFEDSA-N 0 0 478.998 4.103 50 0 JIAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000064930940 524250336 /nfs/dbraw/zinc/25/03/36/524250336.db2.gz VXOQWDYRJGZEHS-OAHLLOKOSA-N 0 0 496.973 4.117 50 0 JIAARN COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)nc21 ZINC000016915359 524263646 /nfs/dbraw/zinc/26/36/46/524263646.db2.gz MINOVNBAZIRBAG-UHFFFAOYSA-N 0 0 467.572 4.378 50 0 JIAARN Cc1cccc(C)c1NC(=O)CSc1nc2nc(N3CCCC3)sc2c(=O)n1C(C)C ZINC000065319992 524283348 /nfs/dbraw/zinc/28/33/48/524283348.db2.gz INXGLSSQHIWEPW-UHFFFAOYSA-N 0 0 457.625 4.382 50 0 JIAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2nn(-c3ccccc3F)cc2Br)c(C)c1 ZINC000036393361 524284515 /nfs/dbraw/zinc/28/45/15/524284515.db2.gz VBKXFRZPISJRHU-UHFFFAOYSA-N 0 0 473.346 4.410 50 0 JIAARN COc1ccccc1-c1nnc(SCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)n1C ZINC000009478845 524289590 /nfs/dbraw/zinc/28/95/90/524289590.db2.gz GWOLKYJRYKSYCK-QHCPKHFHSA-N 0 0 482.606 4.258 50 0 JIAARN Cc1cc(C)c(NC(=O)CSc2nnc3ccc(C(=O)NCc4ccccc4)cn32)c(C)c1 ZINC000033284544 524289940 /nfs/dbraw/zinc/28/99/40/524289940.db2.gz NTUROGPIKQRMAW-UHFFFAOYSA-N 0 0 459.575 4.315 50 0 JIAARN COc1ccccc1-n1c2ncn(Cc3cccc(Cl)c3)c2c(=O)n(Cc2ccccc2)c1=O ZINC000034693003 524304335 /nfs/dbraw/zinc/30/43/35/524304335.db2.gz SLMOXXUGOWMVIS-UHFFFAOYSA-N 0 0 472.932 4.108 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1C ZINC000046123734 524315522 /nfs/dbraw/zinc/31/55/22/524315522.db2.gz QSUAMZLASNXMDQ-QGZVFWFLSA-N 0 0 488.610 4.423 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1C ZINC000046124821 524315556 /nfs/dbraw/zinc/31/55/56/524315556.db2.gz ZAQGAUDENLVSDX-GOSISDBHSA-N 0 0 470.620 4.284 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1C ZINC000064930966 524317973 /nfs/dbraw/zinc/31/79/73/524317973.db2.gz NVHMGCZLVUUGDR-GOSISDBHSA-N 0 0 474.583 4.381 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1C ZINC000046123731 524318916 /nfs/dbraw/zinc/31/89/16/524318916.db2.gz QSUAMZLASNXMDQ-KRWDZBQOSA-N 0 0 488.610 4.423 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCC[C@@H](C[NH+]4CCCC4)C3)c(C(=O)[O-])c2)cc1C ZINC000033253765 524323530 /nfs/dbraw/zinc/32/35/30/524323530.db2.gz VLBLDPWCEYJBHK-NRFANRHFSA-N 0 0 485.650 4.423 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000033254092 524324867 /nfs/dbraw/zinc/32/48/67/524324867.db2.gz LEIBZXMBRZQIGZ-NRFANRHFSA-N 0 0 485.650 4.423 50 0 JIAARN COc1ccccc1C(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)CC1CC1 ZINC000036249313 524339673 /nfs/dbraw/zinc/33/96/73/524339673.db2.gz PMVIXSKEJOMGDA-UHFFFAOYSA-N 0 0 465.525 4.378 50 0 JIAARN COc1ccccc1C(=O)N1CCN(c2nc3ccccc3c3nnc(Cc4ccccc4)n32)C[C@H]1C ZINC000034700504 524343283 /nfs/dbraw/zinc/34/32/83/524343283.db2.gz QXGPWERBIHKCQJ-HXUWFJFHSA-N 0 0 492.583 4.228 50 0 JIAARN Cc1ccc(CN(C(=O)COc2ccccc2)c2cccc(CC(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000037601146 524353441 /nfs/dbraw/zinc/35/34/41/524353441.db2.gz IHZWCSARWWSEHV-HHHXNRCGSA-N 0 0 472.585 4.445 50 0 JIAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 ZINC000067218206 524356575 /nfs/dbraw/zinc/35/65/75/524356575.db2.gz ZIWZQCZMCLMJHW-UHFFFAOYSA-N 0 0 484.375 4.232 50 0 JIAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccnc3)no2)cc1Cl ZINC000016846966 524357749 /nfs/dbraw/zinc/35/77/49/524357749.db2.gz ZQCKINZDCAEVJU-UHFFFAOYSA-N 0 0 462.940 4.347 50 0 JIAARN COc1ccc(NC=C2c3ccccc3C(=O)N(c3cc(OC)ccc3OC)C2=O)c(OC)c1 ZINC000013162027 524379721 /nfs/dbraw/zinc/37/97/21/524379721.db2.gz OVQWVTIXWJQECS-HKWRFOASSA-N 0 0 460.486 4.361 50 0 JIAARN COc1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000035482043 524399514 /nfs/dbraw/zinc/39/95/14/524399514.db2.gz QOYIDKPNNVOKRQ-AREMUKBSSA-N 0 0 475.570 4.456 50 0 JIAARN COc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021865767 524399702 /nfs/dbraw/zinc/39/97/02/524399702.db2.gz WJLIJUSPHTYRFA-MHZLTWQESA-N 0 0 455.514 4.492 50 0 JIAARN Cc1cccc(CN2CCN(C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)C2=O)c1 ZINC000064950877 524400813 /nfs/dbraw/zinc/40/08/13/524400813.db2.gz KGOQIAGDYGGZAH-UHFFFAOYSA-N 0 0 469.651 4.383 50 0 JIAARN Cc1cc(C)cc(NC(=O)CSc2nc3c(c(=O)[nH]2)CN(Cc2ccc(F)cc2)CC3)c1 ZINC000020467787 524421793 /nfs/dbraw/zinc/42/17/93/524421793.db2.gz MPXFCCUWPPZNKR-UHFFFAOYSA-N 0 0 452.555 4.227 50 0 JIAARN COc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4nc(-c5ccccc5)no4)c3)CC2=O)cc1 ZINC000021792247 524442588 /nfs/dbraw/zinc/44/25/88/524442588.db2.gz OJMMWKVXDHLNAZ-IBGZPJMESA-N 0 0 454.486 4.404 50 0 JIAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3C[C@H](O)COc3ccc(C)cc3)CC2=O)cc1 ZINC000033320852 524444395 /nfs/dbraw/zinc/44/43/95/524444395.db2.gz OVTAAUOKSAZDRI-UNMCSNQZSA-N 0 0 471.557 4.314 50 0 JIAARN Cc1cc(C)cc(OCc2nc(CN(CCN3CCOCC3)C(=O)c3cccs3)cs2)c1 ZINC000036105170 524454030 /nfs/dbraw/zinc/45/40/30/524454030.db2.gz FGNOZXPEUOZQDI-UHFFFAOYSA-N 0 0 471.648 4.375 50 0 JIAARN Cc1ccc(CN2CCN(C3CCN(C(=O)Nc4cc(Cl)ccc4Cl)CC3)C(=O)C2=O)cc1 ZINC000064956491 524454722 /nfs/dbraw/zinc/45/47/22/524454722.db2.gz SPNFQEJNKQJDKW-UHFFFAOYSA-N 0 0 489.403 4.169 50 0 JIAARN Cc1cc(C)cc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000064940856 524456512 /nfs/dbraw/zinc/45/65/12/524456512.db2.gz BHECXOWWDWALNP-SFHVURJKSA-N 0 0 460.556 4.072 50 0 JIAARN Cc1cc(C)cc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c1 ZINC000046123767 524456528 /nfs/dbraw/zinc/45/65/28/524456528.db2.gz PLMFUVKRPXRCRL-INIZCTEOSA-N 0 0 474.583 4.115 50 0 JIAARN COc1ccccc1CNC(=O)C1CCN(c2nc3ccsc3c(=O)n2Cc2ccccc2)CC1 ZINC000033302412 524459357 /nfs/dbraw/zinc/45/93/57/524459357.db2.gz ZRXIPQYBYHXNGI-UHFFFAOYSA-N 0 0 488.613 4.048 50 0 JIAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccccc2C(F)(F)F)c(OC)c1 ZINC000016393203 524470010 /nfs/dbraw/zinc/47/00/10/524470010.db2.gz KWYZPXIUTSMEQE-SFHVURJKSA-N 0 0 451.470 4.154 50 0 JIAARN COc1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1Cl ZINC000013591581 524478091 /nfs/dbraw/zinc/47/80/91/524478091.db2.gz AAVKSUJJSADYEN-FQEVSTJZSA-N 0 0 455.942 4.237 50 0 JIAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccc(C)o1 ZINC000021854522 524479053 /nfs/dbraw/zinc/47/90/53/524479053.db2.gz NPMHTALPIGAHDC-NDEPHWFRSA-N 0 0 484.556 4.191 50 0 JIAARN COc1ccccc1CNC(=O)c1ccc2c(c1)nc(N1CCCC1)n(-c1ccc(F)cc1)c2=O ZINC000048990388 524483865 /nfs/dbraw/zinc/48/38/65/524483865.db2.gz OMMCHPXDXYZYAV-UHFFFAOYSA-N 0 0 472.520 4.064 50 0 JIAARN Cc1cc(C)n(-c2ccc(CN3C(=O)N[C@](C)(c4cccc(Br)c4)C3=O)cc2)n1 ZINC000030532378 524484895 /nfs/dbraw/zinc/48/48/95/524484895.db2.gz VRCUSWNYRQYIPS-JOCHJYFZSA-N 0 0 453.340 4.219 50 0 JIAARN COc1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccc(F)cc2)C3=O)c(OC)c1 ZINC000002716396 524504623 /nfs/dbraw/zinc/50/46/23/524504623.db2.gz WEIYSKKUFBYJJV-UHFFFAOYSA-N 0 0 464.493 4.059 50 0 JIAARN COc1ccc(NC(=O)CSc2nccn2-c2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000033265042 524511477 /nfs/dbraw/zinc/51/14/77/524511477.db2.gz CTRJBVAVDHMVQA-UHFFFAOYSA-N 0 0 462.531 4.135 50 0 JIAARN Cc1cc(C)n(CC(=O)Nc2oncc2-c2ccccc2)c(=O)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000035462847 524512541 /nfs/dbraw/zinc/51/25/41/524512541.db2.gz BYLVCTVKIHEFSR-UHFFFAOYSA-N 0 0 497.960 4.245 50 0 JIAARN COc1ccccc1Cn1cnc2c1c(=O)n(C1CCCCC1)c(=O)n2-c1ccc(F)c(F)c1 ZINC000034695229 524519643 /nfs/dbraw/zinc/51/96/43/524519643.db2.gz PWAPYAIEUUHRIS-UHFFFAOYSA-N 0 0 466.488 4.189 50 0 JIAARN COc1ccccc1Cn1c(N)c(C(=O)NCc2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000002252989 524520734 /nfs/dbraw/zinc/52/07/34/524520734.db2.gz OUDWHAASRHQDPL-UHFFFAOYSA-N 0 0 451.530 4.462 50 0 JIAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000033260408 524528970 /nfs/dbraw/zinc/52/89/70/524528970.db2.gz DOKWIYHIWKLPOR-FQEVSTJZSA-N 0 0 454.578 4.145 50 0 JIAARN COc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4cccc(F)c4)s3)CC2)cc1OC ZINC000033114072 524541477 /nfs/dbraw/zinc/54/14/77/524541477.db2.gz KDNBKCFWBARPQZ-UHFFFAOYSA-N 0 0 485.541 4.358 50 0 JIAARN COc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)cc1OC ZINC000033114032 524541587 /nfs/dbraw/zinc/54/15/87/524541587.db2.gz HHPSJJAKKPABIO-UHFFFAOYSA-N 0 0 485.541 4.358 50 0 JIAARN COc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c(OC)c1 ZINC000033113531 524543842 /nfs/dbraw/zinc/54/38/42/524543842.db2.gz WJTRWKIXYBCFFS-OAHLLOKOSA-N 0 0 467.551 4.219 50 0 JIAARN COc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c(OC)c1 ZINC000033113532 524546123 /nfs/dbraw/zinc/54/61/23/524546123.db2.gz WJTRWKIXYBCFFS-HNNXBMFYSA-N 0 0 467.551 4.219 50 0 JIAARN COc1ccc(NC(=O)N2CCN(c3cc(Oc4ccc(F)cc4F)ncn3)C[C@@H]2C)cc1 ZINC000037285002 524549506 /nfs/dbraw/zinc/54/95/06/524549506.db2.gz LLZOOZFAWPUAHX-HNNXBMFYSA-N 0 0 455.465 4.298 50 0 JIAARN COc1ccccc1N1CCN(c2ccc(SCC(=O)Nc3ccc(Cl)cc3)nn2)CC1 ZINC000065026056 524564424 /nfs/dbraw/zinc/56/44/24/524564424.db2.gz 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ZINC000022598139 525161543 /nfs/dbraw/zinc/16/15/43/525161543.db2.gz JUYSFXAFUMUCMA-XMMPIXPASA-N 0 0 466.585 4.286 50 0 JIAARN Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 ZINC000012442369 525212823 /nfs/dbraw/zinc/21/28/23/525212823.db2.gz FHGBZRPKBYISSZ-QGZVFWFLSA-N 0 0 487.541 4.025 50 0 JIAARN Cc1cc(NC(=O)[C@@H](Sc2nnc([C@H]3COc4ccccc4O3)n2C)c2ccccc2)no1 ZINC000016801600 525213722 /nfs/dbraw/zinc/21/37/22/525213722.db2.gz GJUHOQSNOCCDKW-QUCCMNQESA-N 0 0 463.519 4.096 50 0 JIAARN Cc1ccccc1N1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3cccs3)CC2)CC1 ZINC000037288621 525223203 /nfs/dbraw/zinc/22/32/03/525223203.db2.gz VRQCOIHIABSIPY-UHFFFAOYSA-N 0 0 488.657 4.418 50 0 JIAARN Cc1ccccc1NC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1cccs1 ZINC000006973898 525230164 /nfs/dbraw/zinc/23/01/64/525230164.db2.gz BZQRUMLTWMFFSN-JDCXBEBJSA-N 0 0 471.607 4.244 50 0 JIAARN Cc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)c(C)c1 ZINC000064999691 525235878 /nfs/dbraw/zinc/23/58/78/525235878.db2.gz SNOQLASCFXEDJT-UHFFFAOYSA-N 0 0 456.589 4.305 50 0 JIAARN COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4ccccc4Cl)c(=O)[nH]c3C2)cc1OC ZINC000064959200 525238715 /nfs/dbraw/zinc/23/87/15/525238715.db2.gz MZQYAVRMLPBRGH-AWEZNQCLSA-N 0 0 452.894 4.211 50 0 JIAARN COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3cc(Cl)c(OC)cc3OC)C2)cc1 ZINC000021703685 525248487 /nfs/dbraw/zinc/24/84/87/525248487.db2.gz XYGNJHREJLAJFL-LPHOPBHVSA-N 0 0 458.942 4.082 50 0 JIAARN Cc1ccc(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1I ZINC000014893352 525250842 /nfs/dbraw/zinc/25/08/42/525250842.db2.gz QNJSEDIYWBSOFR-UHFFFAOYSA-N 0 0 489.313 4.414 50 0 JIAARN CS(=O)(=O)c1ccc2nc(NC(=O)COc3ccccc3Cc3ccccc3)sc2c1 ZINC000002620424 525266612 /nfs/dbraw/zinc/26/66/12/525266612.db2.gz BPEDEQKQSDGJAR-UHFFFAOYSA-N 0 0 452.557 4.308 50 0 JIAARN COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3nc(N4C(=O)c5ccccc5C4=O)nc3N2)cc1 ZINC000002408404 525266979 /nfs/dbraw/zinc/26/69/79/525266979.db2.gz TZZPJLLSHJVKSZ-FCHUYYIVSA-N 0 0 469.476 4.373 50 0 JIAARN Cc1ccccc1NC(=O)c1nnc([C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3C)C2)s1 ZINC000046124107 525267154 /nfs/dbraw/zinc/26/71/54/525267154.db2.gz HMVWKUZURXLYGI-MRXNPFEDSA-N 0 0 474.583 4.115 50 0 JIAARN COc1ccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1OC ZINC000012427953 525268574 /nfs/dbraw/zinc/26/85/74/525268574.db2.gz VTGQVTAAZZADRH-DEOSSOPVSA-N 0 0 494.551 4.227 50 0 JIAARN Cc1ccccc1OCC(=O)Nc1ccc(SCc2cc(=O)n3c(ncn3C(C)C)n2)cc1 ZINC000021797661 525279248 /nfs/dbraw/zinc/27/92/48/525279248.db2.gz BYNZBIUYRJLYBN-UHFFFAOYSA-N 0 0 463.563 4.090 50 0 JIAARN COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC(C)C)cc1OC ZINC000002414337 525280052 /nfs/dbraw/zinc/28/00/52/525280052.db2.gz KTINBNQMDCWQHX-HSZRJFAPSA-N 0 0 451.519 4.479 50 0 JIAARN COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]32)cc1 ZINC000013648487 525281089 /nfs/dbraw/zinc/28/10/89/525281089.db2.gz JUXVXGKFMYXHOU-ZMSDIMECSA-N 0 0 492.500 4.260 50 0 JIAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C[C@H](C(=O)Nc3ccccc3)[C@@H]2CO)cc1OC ZINC000071769190 525282038 /nfs/dbraw/zinc/28/20/38/525282038.db2.gz KALSSOWIIRDFPQ-BCQCSXDESA-N 0 0 477.557 4.272 50 0 JIAARN C[C@@H](NC(=O)[C@H](C)OC(=O)CCNC(=O)CCC(=O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000016047148 525284414 /nfs/dbraw/zinc/28/44/14/525284414.db2.gz SIKOOCYWNFJIPZ-CVEARBPZSA-N 0 0 493.387 4.272 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1S(=O)(=O)Nc1ccccc1F ZINC000016096522 525304666 /nfs/dbraw/zinc/30/46/66/525304666.db2.gz WRDXLYUYERDMEB-UHFFFAOYSA-N 0 0 460.552 4.224 50 0 JIAARN COc1ccc([C@H](C)NC(=O)c2ccc(Oc3nccnc3N3CCSCC3)cc2)cc1OC ZINC000067324016 525314350 /nfs/dbraw/zinc/31/43/50/525314350.db2.gz CWWFBANWQJTPLK-KRWDZBQOSA-N 0 0 480.590 4.330 50 0 JIAARN C[C@@H](NC(=O)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)cc1)c1ccc(F)cc1 ZINC000035458313 525325886 /nfs/dbraw/zinc/32/58/86/525325886.db2.gz BFRSTKFNMBCMIJ-IQGLISFBSA-N 0 0 471.532 4.468 50 0 JIAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1)c1ccc(-n2ccnc2)cc1 ZINC000009378334 525345485 /nfs/dbraw/zinc/34/54/85/525345485.db2.gz XHHIYUSRWDWMEZ-WOJBJXKFSA-N 0 0 474.586 4.403 50 0 JIAARN Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC3)ccc1F ZINC000016837453 525397161 /nfs/dbraw/zinc/39/71/61/525397161.db2.gz MNQQTJCDFCJUBX-UHFFFAOYSA-N 0 0 474.598 4.085 50 0 JIAARN Cc1ccc(OCC(=O)c2ccc3c(c2)N([C@@H](C)C(=O)NCCc2ccccc2)C(=O)CO3)c(C)c1 ZINC000037511402 525398447 /nfs/dbraw/zinc/39/84/47/525398447.db2.gz DHKRWUCKXLFXER-NRFANRHFSA-N 0 0 486.568 4.038 50 0 JIAARN COc1ccc([C@H]2Nc3ccccc3-n3c(-c4ccc(C)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1O ZINC000021659024 525430451 /nfs/dbraw/zinc/43/04/51/525430451.db2.gz RUQNQRBRNNFIOG-XMMPIXPASA-N 0 0 494.551 4.232 50 0 JIAARN Cc1ccc(OCc2nnc(C(=O)Nc3ccc(C(=O)NCCCOC(C)C)cc3)s2)cc1 ZINC000033032230 525449993 /nfs/dbraw/zinc/44/99/93/525449993.db2.gz WZIPCSFPORXOKW-UHFFFAOYSA-N 0 0 468.579 4.223 50 0 JIAARN COc1ccc2[nH]c(C(=O)NCc3cc(Br)ccc3OC)c(N3CCCC3=O)c2c1 ZINC000021780127 525478458 /nfs/dbraw/zinc/47/84/58/525478458.db2.gz VABZIQAQDBSVNS-UHFFFAOYSA-N 0 0 472.339 4.004 50 0 JIAARN Cc1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)N4CCCc5ccccc54)nc23)cc1 ZINC000035424831 525478866 /nfs/dbraw/zinc/47/88/66/525478866.db2.gz ZQNLEMUNZBDPQB-UHFFFAOYSA-N 0 0 465.513 4.124 50 0 JIAARN Cc1ccc(Oc2nccnc2Sc2ccccc2C(=O)NCCCN2CCOCC2)cc1 ZINC000033289210 525480728 /nfs/dbraw/zinc/48/07/28/525480728.db2.gz VRAYUPLSYDGEDX-UHFFFAOYSA-N 0 0 464.591 4.181 50 0 JIAARN Cc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000033141912 525481586 /nfs/dbraw/zinc/48/15/86/525481586.db2.gz FBDFATDPYALDEK-UHFFFAOYSA-N 0 0 473.577 4.269 50 0 JIAARN Cc1ccc(S(=O)(=O)CCC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2Cl)cc1 ZINC000016107313 525489264 /nfs/dbraw/zinc/48/92/64/525489264.db2.gz XVMHRMDVEJWXLN-HXUWFJFHSA-N 0 0 451.972 4.011 50 0 JIAARN COc1ccc2[nH]cc(CCNC(=O)COc3cc4c(c5oc(=O)cc(C)c35)CCC(C)(C)O4)c2c1 ZINC000008877674 525492213 /nfs/dbraw/zinc/49/22/13/525492213.db2.gz DROTTZLJTPTEFC-UHFFFAOYSA-N 0 0 490.556 4.433 50 0 biogenic JIAARN COc1ccc2[nH]cc(CCNC(=O)c3cc4nc(-c5ccco5)cc(C(F)(F)F)n4n3)c2c1 ZINC000022705420 525492793 /nfs/dbraw/zinc/49/27/93/525492793.db2.gz OBXAHMVBKJKPDV-UHFFFAOYSA-N 0 0 469.423 4.471 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000064930990 525533307 /nfs/dbraw/zinc/53/33/07/525533307.db2.gz NBCGSIHBTAAIKE-QGZVFWFLSA-N 0 0 462.984 4.278 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1C ZINC000046124068 525535060 /nfs/dbraw/zinc/53/50/60/525535060.db2.gz QTQTTZVVZGLEME-SFHVURJKSA-N 0 0 470.620 4.284 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Oc4ccccc4)nc3)C2)s1 ZINC000040146432 525535204 /nfs/dbraw/zinc/53/52/04/525535204.db2.gz SNUUBHRCCQMZLB-KRWDZBQOSA-N 0 0 457.577 4.283 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c(C)c1 ZINC000064930935 525538283 /nfs/dbraw/zinc/53/82/83/525538283.db2.gz WCDREOGMOICLGC-KRWDZBQOSA-N 0 0 460.556 4.072 50 0 JIAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC1)c1cccn1-2 ZINC000035399355 525553219 /nfs/dbraw/zinc/55/32/19/525553219.db2.gz IBWNDOCLCXUMGZ-UHFFFAOYSA-N 0 0 463.603 4.470 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccc(F)cc4Cl)sc3C2)cc1 ZINC000021654667 525554182 /nfs/dbraw/zinc/55/41/82/525554182.db2.gz LVGIXUVNKRBGIJ-UHFFFAOYSA-N 0 0 465.959 4.243 50 0 JIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)NC1CCCCC1)C(=O)N2Cc1ccccc1 ZINC000036155809 525580713 /nfs/dbraw/zinc/58/07/13/525580713.db2.gz UOAGNYAFWFWHCH-RUZDIDTESA-N 0 0 451.592 4.486 50 0 JIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CC1)C(=O)N2Cc1cccc(C(F)(F)F)c1 ZINC000036166499 525581831 /nfs/dbraw/zinc/58/18/31/525581831.db2.gz SAIUJGBUOSXMSD-JOCHJYFZSA-N 0 0 462.493 4.399 50 0 JIAARN Cc1cc2c(C)cc1CCc1ccc(c3c1OCCOCCOCCOCCOCCO3)CC2 ZINC000004576953 525587538 /nfs/dbraw/zinc/58/75/38/525587538.db2.gz BTOOAGIXQIZOAU-UHFFFAOYSA-N 0 0 470.606 4.025 50 0 JIAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002092549 525611199 /nfs/dbraw/zinc/61/11/99/525611199.db2.gz GVSPHTZHTXDFIQ-VLIAUNLRSA-N 0 0 498.841 4.175 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@@H](C(=O)NCCC(C)C)C3)c2)cc1C ZINC000021710051 525613613 /nfs/dbraw/zinc/61/36/13/525613613.db2.gz IIZJGBALVRYCNR-JOCHJYFZSA-N 0 0 485.650 4.119 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)C3CCCCC3)sc2NCc2cccnc2)cc1 ZINC000008826427 525633375 /nfs/dbraw/zinc/63/33/75/525633375.db2.gz HVLIMMIXXAAVRG-UHFFFAOYSA-N 0 0 491.660 4.398 50 0 JIAARN Cc1ccc(S(=O)(=O)n2nc(-c3ccco3)nc2NCc2ccc(Br)cc2)cc1 ZINC000014611285 525635859 /nfs/dbraw/zinc/63/58/59/525635859.db2.gz NUXVSIOPVANWOH-UHFFFAOYSA-N 0 0 473.352 4.458 50 0 JIAARN Cc1c(C(=O)Nc2ccc(C)cc2Cl)nnn1CC(=O)Nc1ccccc1Br ZINC000067322370 525654646 /nfs/dbraw/zinc/65/46/46/525654646.db2.gz BUXBLUHUXMHAIK-UHFFFAOYSA-N 0 0 462.735 4.202 50 0 JIAARN Cc1c(C(=O)Nc2cccc(Cl)c2N2CCOCC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000009906966 525659190 /nfs/dbraw/zinc/65/91/90/525659190.db2.gz LHXVPPGKIGZDPP-UHFFFAOYSA-N 0 0 472.998 4.235 50 0 JIAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)nc23)c(C)c1 ZINC000049009060 525674575 /nfs/dbraw/zinc/67/45/75/525674575.db2.gz NWQFPVUEXNSSNT-UHFFFAOYSA-N 0 0 457.918 4.090 50 0 JIAARN Cc1cc2oc(=O)cc(COC(=O)CCc3nc4ccccc4c(=O)n3C3CC3)c2cc1Cl ZINC000018995189 525689691 /nfs/dbraw/zinc/68/96/91/525689691.db2.gz UZWQTNMCSKPWJC-UHFFFAOYSA-N 0 0 464.905 4.476 50 0 JIAARN Cc1ccnc(SCC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)n1 ZINC000064978136 525708929 /nfs/dbraw/zinc/70/89/29/525708929.db2.gz BEOCQSJHZHGZRK-UHFFFAOYSA-N 0 0 452.967 4.050 50 0 JIAARN COc1cccc(-c2cc3c(N4CCC(C(=O)NCCCc5ccccc5)CC4)nccn3n2)c1 ZINC000033266720 525709215 /nfs/dbraw/zinc/70/92/15/525709215.db2.gz XPBJCVXCFXDANV-UHFFFAOYSA-N 0 0 469.589 4.370 50 0 JIAARN COc1cccc(-c2cc3c(N4CCC(C(=O)NCc5cc(F)cc(F)c5)CC4)nccn3n2)c1 ZINC000033266707 525709691 /nfs/dbraw/zinc/70/96/91/525709691.db2.gz XIADAUMTCYTYFQ-UHFFFAOYSA-N 0 0 477.515 4.216 50 0 JIAARN Cc1ccc(-c2cc(C(=O)N(Cc3cccc(Cl)c3)[C@@H]3CCS(=O)(=O)C3)no2)cc1C ZINC000021786366 525719332 /nfs/dbraw/zinc/71/93/32/525719332.db2.gz SAMFKAIOZIJBHG-HXUWFJFHSA-N 0 0 458.967 4.441 50 0 JIAARN COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)no2)c1 ZINC000065112217 525721534 /nfs/dbraw/zinc/72/15/34/525721534.db2.gz YCJMTEBRSWUQKC-UHFFFAOYSA-N 0 0 451.907 4.106 50 0 JIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000033325651 525727130 /nfs/dbraw/zinc/72/71/30/525727130.db2.gz YJWCHCLIHZOIBG-HSZRJFAPSA-N 0 0 478.618 4.461 50 0 JIAARN Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(Br)c5)no4)ncn3n2)c(C)c1 ZINC000049004325 525738781 /nfs/dbraw/zinc/73/87/81/525738781.db2.gz SXSYVEDQAJFSKQ-UHFFFAOYSA-N 0 0 477.322 4.036 50 0 JIAARN Cc1c(Cc2ccccc2)c(=O)nc2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n21 ZINC000026842625 525740226 /nfs/dbraw/zinc/74/02/26/525740226.db2.gz QTVOCPIRWPMMPF-UQQQWYQISA-N 0 0 466.562 4.142 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)NCc3cccs3)CC2)c1 ZINC000033175395 525744687 /nfs/dbraw/zinc/74/46/87/525744687.db2.gz ZRTPSHREQNJUHL-UHFFFAOYSA-N 0 0 480.615 4.050 50 0 JIAARN Cc1ccc(-c2ccc3nnc(CCC(=O)NCc4cccc(Br)c4)n3n2)cc1C ZINC000033309578 525757822 /nfs/dbraw/zinc/75/78/22/525757822.db2.gz ZEBZUBCRRPFTBQ-UHFFFAOYSA-N 0 0 464.367 4.420 50 0 JIAARN COc1cccc(/C=C2\Sc3ccc(C(=O)N4CCN(c5ccccn5)CC4)cc3N(C)C2=O)c1 ZINC000020180412 525770389 /nfs/dbraw/zinc/77/03/89/525770389.db2.gz IHFRSXPWAGMQEZ-ULJHMMPZSA-N 0 0 486.597 4.162 50 0 JIAARN COc1cccc(C(=O)CSc2nc3cc(-c4ccc(Cl)cc4)sc3c(=O)n2N)c1 ZINC000019797117 525784369 /nfs/dbraw/zinc/78/43/69/525784369.db2.gz MLLGPPSNVHNNMH-UHFFFAOYSA-N 0 0 457.964 4.476 50 0 JIAARN COc1cccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)c(OC)c2)c1 ZINC000023547429 525784862 /nfs/dbraw/zinc/78/48/62/525784862.db2.gz PBJCVVNBMOFWNL-UHFFFAOYSA-N 0 0 462.527 4.387 50 0 JIAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000021855674 525792571 /nfs/dbraw/zinc/79/25/71/525792571.db2.gz PSURBBNLLKGEQU-MHZLTWQESA-N 0 0 459.546 4.234 50 0 JIAARN COc1cccc(C(=O)N2C[C@H](C(=O)NCc3ccc(F)cc3)[C@H](c3cc(OC)ccc3OC)C2)c1 ZINC000036045543 525810088 /nfs/dbraw/zinc/81/00/88/525810088.db2.gz FYCVDERXDFVSFX-DQEYMECFSA-N 0 0 492.547 4.024 50 0 JIAARN Cc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(-c5noc(C(C)C)n5)cc4)CC3)no2)cc1 ZINC000033327661 525813051 /nfs/dbraw/zinc/81/30/51/525813051.db2.gz HCWFMNHNRKHGET-UHFFFAOYSA-N 0 0 472.549 4.176 50 0 JIAARN Cc1ccc(-c2nc(SCC(=O)NCCN3C(=O)CSC3=O)[nH]c2-c2ccc(C)cc2)cc1 ZINC000008666690 525818009 /nfs/dbraw/zinc/81/80/09/525818009.db2.gz SFJJQQXFNQMFSW-UHFFFAOYSA-N 0 0 480.615 4.264 50 0 JIAARN Cc1c(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)c(=O)n(-c2ccccc2)n1C ZINC000013149830 525835704 /nfs/dbraw/zinc/83/57/04/525835704.db2.gz NANQVPSQCLKRNR-UHFFFAOYSA-N 0 0 489.601 4.040 50 0 JIAARN COc1cccc(CC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)c1 ZINC000046122986 525868064 /nfs/dbraw/zinc/86/80/64/525868064.db2.gz ZMTJDBNRPDABOD-SFHVURJKSA-N 0 0 450.564 4.056 50 0 JIAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2F)CC1 ZINC000033086744 525873644 /nfs/dbraw/zinc/87/36/44/525873644.db2.gz KVEVSOGXCRFDAE-UHFFFAOYSA-N 0 0 484.553 4.101 50 0 JIAARN C[C@@H](OC(=O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1)C(=O)NC(=O)NC1CC1 ZINC000012475486 525889574 /nfs/dbraw/zinc/88/95/74/525889574.db2.gz ROBNPOPGLSKOPF-OAHLLOKOSA-N 0 0 465.531 4.065 50 0 JIAARN C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000008687701 525894601 /nfs/dbraw/zinc/89/46/01/525894601.db2.gz YWQCZZFUOKBMFA-CYBMUJFWSA-N 0 0 498.322 4.369 50 0 JIAARN Cc1ccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)nc3cccnc32)cc1 ZINC000033280789 525897581 /nfs/dbraw/zinc/89/75/81/525897581.db2.gz QDCFODXDNBIYSX-UHFFFAOYSA-N 0 0 499.999 4.028 50 0 JIAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Br)cc3F)nc3c2nc[nH]c3=O)cc1 ZINC000012462124 525898994 /nfs/dbraw/zinc/89/89/94/525898994.db2.gz VBTFCVBCINACBK-UHFFFAOYSA-N 0 0 488.342 4.050 50 0 biogenic,in-vitro JIAARN COc1cccc(CCNc2ncnc3sc(C(=O)N(C)[C@H](C)c4ccon4)c(C)c32)c1 ZINC000014977612 525902519 /nfs/dbraw/zinc/90/25/19/525902519.db2.gz IKZLSPYHVQEAPB-OAHLLOKOSA-N 0 0 451.552 4.484 50 0 JIAARN C[C@@]12c3[nH]c4ccccc4c3[C@@H](c3ccc(Cl)cc3)CN1C(=O)CN(C[C@@H]1CCCO1)C2=O ZINC000008789061 525918347 /nfs/dbraw/zinc/91/83/47/525918347.db2.gz XYXJTNSYGYMHIB-UDJSKEQPSA-N 0 0 463.965 4.032 50 0 biogenic JIAARN Cc1cn2c(nc(COC(=O)c3ccc(NC(=O)COc4ccccc4Cl)cc3)cc2=O)s1 ZINC000021633314 525939471 /nfs/dbraw/zinc/93/94/71/525939471.db2.gz IUTORZDOZZLILS-UHFFFAOYSA-N 0 0 483.933 4.092 50 0 JIAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000018037337 525944331 /nfs/dbraw/zinc/94/43/31/525944331.db2.gz LJOBMOVTILAWGB-CALCHBBNSA-N 0 0 456.564 4.408 50 0 JIAARN CSc1ccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4ccccc4F)c3=O)n2)cc1 ZINC000048987080 525949567 /nfs/dbraw/zinc/94/95/67/525949567.db2.gz CTUCVLCVPPGVCX-UHFFFAOYSA-N 0 0 466.519 4.173 50 0 JIAARN COc1cccc(CN2CCc3nc(SCC(=O)Nc4ccc(C)c(Cl)c4)[nH]c(=O)c3C2)c1 ZINC000021810419 525954900 /nfs/dbraw/zinc/95/49/00/525954900.db2.gz NKJRUZHZFYOYOQ-UHFFFAOYSA-N 0 0 485.009 4.442 50 0 JIAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1-c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000064948504 525960796 /nfs/dbraw/zinc/96/07/96/525960796.db2.gz JAIOHIFACHFHNZ-UHFFFAOYSA-N 0 0 493.463 4.498 50 0 JIAARN COc1cccc(CNC(=O)C2CCN(c3cc(C(=O)Nc4ccccc4F)ccn3)CC2)c1 ZINC000033073963 525963306 /nfs/dbraw/zinc/96/33/06/525963306.db2.gz CBTHIOCTFHFXNT-UHFFFAOYSA-N 0 0 462.525 4.014 50 0 JIAARN COc1cccc(CNC(=O)CSc2ncnc3c4cc(Br)ccc4[nH]c32)c1OC ZINC000033298698 525973830 /nfs/dbraw/zinc/97/38/30/525973830.db2.gz KWQSMUUXPQWACW-UHFFFAOYSA-N 0 0 487.379 4.299 50 0 JIAARN Cc1c2cnn(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(=O)c2c(C)n1Cc1cccc(Cl)c1 ZINC000036118465 525995587 /nfs/dbraw/zinc/99/55/87/525995587.db2.gz AZSFJRRMSIXQBW-ZMPRRUGASA-N 0 0 455.002 4.457 50 0 JIAARN Cc1c2cnn(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000036118451 525995893 /nfs/dbraw/zinc/99/58/93/525995893.db2.gz SXORZQPVJBNXOT-ZMPRRUGASA-N 0 0 455.002 4.457 50 0 JIAARN C[C@H](Sc1ncnc2scc(-c3ccc(F)cc3)c21)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000021604479 526007380 /nfs/dbraw/zinc/00/73/80/526007380.db2.gz UXDKZHGOCJUSIU-LBPRGKRZSA-N 0 0 488.591 4.264 50 0 JIAARN Cc1ccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)N[C@@H](C)Cc4ccco4)cc3)n2)cc1 ZINC000033114377 526058053 /nfs/dbraw/zinc/05/80/53/526058053.db2.gz OOVFPBMVXMVXIL-IBGZPJMESA-N 0 0 472.545 4.314 50 0 JIAARN C[C@@H](c1ccc2ccccc2c1)N(C1CC1)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000048286534 526066068 /nfs/dbraw/zinc/06/60/68/526066068.db2.gz FKVLHXBSYSYPFY-KRWDZBQOSA-N 0 0 458.605 4.004 50 0 JIAARN Cc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3ccc(NC(=O)CC(C)C)cc3)CC2)cc1 ZINC000065007343 526084670 /nfs/dbraw/zinc/08/46/70/526084670.db2.gz BBRQREMQEGUCMI-UHFFFAOYSA-N 0 0 485.650 4.200 50 0 JIAARN Cc1ccc(C(=O)N2CCC([C@@H](NC(=O)c3cccs3)C(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC000036209099 526086266 /nfs/dbraw/zinc/08/62/66/526086266.db2.gz FMIRKWFXMKRCIY-AUSIDOKSSA-N 0 0 467.635 4.108 50 0 JIAARN Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(CC(=O)NC3CCCC3)c2n1 ZINC000021654940 526115318 /nfs/dbraw/zinc/11/53/18/526115318.db2.gz GGWXJHPYEXVBRH-UHFFFAOYSA-N 0 0 463.925 4.134 50 0 JIAARN Cc1ccc2[nH]cc(CCNC(=O)c3nnsc3NC(=O)N3CCCC[C@H]3c3cccnc3)c2c1 ZINC000033436073 526115473 /nfs/dbraw/zinc/11/54/73/526115473.db2.gz PACHUTJXPQPRDO-NRFANRHFSA-N 0 0 489.605 4.454 50 0 JIAARN Cc1ccc2c(=O)c(-c3nc(-c4cccc(F)c4)no3)cn(CC(=O)NCc3ccc(F)cc3)c2n1 ZINC000021655137 526116098 /nfs/dbraw/zinc/11/60/98/526116098.db2.gz ZMOCECPMPREBDG-UHFFFAOYSA-N 0 0 487.466 4.017 50 0 JIAARN Cc1ccc2c(COC(=O)CCCN3C(=O)c4cccc5cccc(c54)C3=O)cc(=O)oc2c1 ZINC000008900453 526131469 /nfs/dbraw/zinc/13/14/69/526131469.db2.gz CQDBRBQUSXGRBW-UHFFFAOYSA-N 0 0 455.466 4.374 50 0 JIAARN Cc1cc(=O)c(C(=O)Nc2ccc(OCC(F)(F)F)nc2)nn1-c1cccc(C(F)(F)F)c1 ZINC000046798935 526132551 /nfs/dbraw/zinc/13/25/51/526132551.db2.gz HHJJRKCDZKLJHK-UHFFFAOYSA-N 0 0 472.345 4.148 50 0 JIAARN CSc1ccccc1C(=O)N1CCC([C@H](Cc2ccccc2)N(C)C(=O)c2ccn(C)n2)CC1 ZINC000014960750 526147341 /nfs/dbraw/zinc/14/73/41/526147341.db2.gz GVHXCNPOVADVMU-DEOSSOPVSA-N 0 0 476.646 4.378 50 0 JIAARN COc1cccc(N2CCN(c3cc(SCC(=O)Nc4ccc(F)cc4Cl)ncn3)CC2)c1 ZINC000033174804 526156741 /nfs/dbraw/zinc/15/67/41/526156741.db2.gz TVEKILUDUADXQS-UHFFFAOYSA-N 0 0 487.988 4.335 50 0 JIAARN Cc1ccc2c(c1)CN(CC(=O)N1CCC(C(=O)N3CCCCC3)CC1)C[C@@H](c1ccsc1)O2 ZINC000012199224 526164826 /nfs/dbraw/zinc/16/48/26/526164826.db2.gz KDSMUBOKEIXCSH-VWLOTQADSA-N 0 0 481.662 4.243 50 0 JIAARN COc1cccc(NC(=O)C2CCN(c3nc4ccsc4c(=O)n3-c3ccccc3)CC2)c1 ZINC000033302223 526169825 /nfs/dbraw/zinc/16/98/25/526169825.db2.gz JUWWWUPWZBOBSM-UHFFFAOYSA-N 0 0 460.559 4.311 50 0 JIAARN Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)O2 ZINC000064988598 526170031 /nfs/dbraw/zinc/17/00/31/526170031.db2.gz XCIWVYLRDRBNDL-KRWDZBQOSA-N 0 0 462.877 4.223 50 0 JIAARN COc1cccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)c1 ZINC000033113382 526188634 /nfs/dbraw/zinc/18/86/34/526188634.db2.gz QGPQFXWCYKKIQY-AWEZNQCLSA-N 0 0 455.515 4.350 50 0 JIAARN C[C@H](c1nnc(SCC(=O)Nc2ncc(Cl)cc2Cl)n1-c1ccc(F)cc1)N(C)C ZINC000022522605 526190332 /nfs/dbraw/zinc/19/03/32/526190332.db2.gz ZXOFCALKKORJCX-LLVKDONJSA-N 0 0 469.373 4.462 50 0 JIAARN COc1cccc(NC(=O)[C@H](C)n2c3ccccc3nc(-c3ccccc3NC(C)=O)c2=O)c1 ZINC000021789402 526198532 /nfs/dbraw/zinc/19/85/32/526198532.db2.gz LJOYRFMROKGYMH-INIZCTEOSA-N 0 0 456.502 4.230 50 0 JIAARN COc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)Nc4cccc(OC)c4)CC3)c2)c1 ZINC000033073874 526204017 /nfs/dbraw/zinc/20/40/17/526204017.db2.gz SVCWSWDHUAHMHO-UHFFFAOYSA-N 0 0 460.534 4.206 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)c(C)n1Cc1ccco1 ZINC000002647913 526204704 /nfs/dbraw/zinc/20/47/04/526204704.db2.gz IRHHXKXHXRXQHF-HSZRJFAPSA-N 0 0 484.350 4.159 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1CCC1=CCCCC1 ZINC000008899029 526204745 /nfs/dbraw/zinc/20/47/45/526204745.db2.gz ROPSOZSFFMMRTP-MHZLTWQESA-N 0 0 461.562 4.408 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)c(C)n1Cc1ccco1 ZINC000002647912 526204824 /nfs/dbraw/zinc/20/48/24/526204824.db2.gz IRHHXKXHXRXQHF-QHCPKHFHSA-N 0 0 484.350 4.159 50 0 JIAARN CSc1nc(C(=O)N2CCc3c(cc(-c4ccc(OC(F)(F)F)cc4)c(=O)n3C)C2)cs1 ZINC000014745703 526209504 /nfs/dbraw/zinc/20/95/04/526209504.db2.gz UXHZQHBJPPDCKD-UHFFFAOYSA-N 0 0 481.521 4.328 50 0 JIAARN Cc1cc(C(=O)CSc2nnc(N3CCOCC3)n2-c2ccccc2C)c(C)n1C1CC1 ZINC000008894000 526216371 /nfs/dbraw/zinc/21/63/71/526216371.db2.gz MXIINKHWALTXDX-UHFFFAOYSA-N 0 0 451.596 4.141 50 0 JIAARN Cc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)cc1NC(=O)c1ccco1 ZINC000021630759 526217355 /nfs/dbraw/zinc/21/73/55/526217355.db2.gz NAVIBDWIYSRFEY-UHFFFAOYSA-N 0 0 473.485 4.311 50 0 JIAARN COc1cccc(OC)c1C(=O)[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(Br)cc1 ZINC000046057010 526218845 /nfs/dbraw/zinc/21/88/45/526218845.db2.gz VNUFSYRLIIFTQS-HNNXBMFYSA-N 0 0 470.323 4.269 50 0 JIAARN Cc1ccc(C)c(-n2cnn(CN3CCN(CCOc4ccc(Cl)cc4)CC3)c2=S)c1 ZINC000022816357 526257147 /nfs/dbraw/zinc/25/71/47/526257147.db2.gz VOXAOYWNLRCFBD-UHFFFAOYSA-N 0 0 458.031 4.328 50 0 JIAARN Cc1nn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1I ZINC000012372166 526268341 /nfs/dbraw/zinc/26/83/41/526268341.db2.gz JCSKETXBBPBMQG-UHFFFAOYSA-N 0 0 457.621 4.415 50 0 JIAARN Cc1nn(CC(=O)Nc2ccc(N3CCn4c5ccc(Cl)cc5nc4C3)cc2)c(=O)c2ccccc12 ZINC000033320620 526268458 /nfs/dbraw/zinc/26/84/58/526268458.db2.gz IBMOUBZNJWVDLP-UHFFFAOYSA-N 0 0 498.974 4.367 50 0 JIAARN O=C(NCCCc1ccccc1)[C@@H]1CCCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)C1 ZINC000022598105 526277817 /nfs/dbraw/zinc/27/78/17/526277817.db2.gz ONFKXOGNYBMMDR-RUZDIDTESA-N 0 0 480.612 4.410 50 0 JIAARN O=C(C1CC1)N1CCc2cc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)ccc21 ZINC000020209242 526287588 /nfs/dbraw/zinc/28/75/88/526287588.db2.gz RPYWJLOGVBBZOR-UHFFFAOYSA-N 0 0 460.599 4.419 50 0 JIAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCN1C(=O)S/C(=C/c2cccs2)C1=O ZINC000033383472 526293478 /nfs/dbraw/zinc/29/34/78/526293478.db2.gz IWRZKBYICVGPLV-CPNJWEJPSA-N 0 0 466.588 4.076 50 0 JIAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)CN1c2cc(C)cc(C)c2C(=O)C1=O ZINC000024071089 526297351 /nfs/dbraw/zinc/29/73/51/526297351.db2.gz VFPQFAFOIVSTOH-UHFFFAOYSA-N 0 0 450.970 4.437 50 0 JIAARN Cc1csc(-c2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc(-n3cnnn3)c2)c1 ZINC000014965994 526298999 /nfs/dbraw/zinc/29/89/99/526298999.db2.gz CWPODISQYXIKSP-VMPITWQZSA-N 0 0 470.602 4.170 50 0 JIAARN Cc1csc(-c2cc(S(=O)(=O)Nc3cc(F)ccc3Cl)cn2CC(=O)N2CCCC2)n1 ZINC000033307587 526300540 /nfs/dbraw/zinc/30/05/40/526300540.db2.gz PRIYAIJIIJFOQT-UHFFFAOYSA-N 0 0 482.990 4.136 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cccc(C(C)C)c3)c12 ZINC000024549158 526305421 /nfs/dbraw/zinc/30/54/21/526305421.db2.gz XHRMQZBAELCOEF-LJQANCHMSA-N 0 0 452.580 4.352 50 0 JIAARN Cc1nn([C@H](C)C(=O)NCc2ccccc2Cl)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033057862 526305819 /nfs/dbraw/zinc/30/58/19/526305819.db2.gz GTNFJYBXMBLLMH-GOSISDBHSA-N 0 0 486.963 4.212 50 0 JIAARN Cc1csc(=O)n1CC(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1 ZINC000014634951 526306134 /nfs/dbraw/zinc/30/61/34/526306134.db2.gz AYYHEYKDPJWMHR-UHFFFAOYSA-N 0 0 487.887 4.151 50 0 JIAARN O=C(C1CCN(c2nccnc2Sc2ccccc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000065102614 526308470 /nfs/dbraw/zinc/30/84/70/526308470.db2.gz KCQSUMZSHWBFAQ-UHFFFAOYSA-N 0 0 459.619 4.193 50 0 JIAARN O=C(NCCN1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000013968197 526314486 /nfs/dbraw/zinc/31/44/86/526314486.db2.gz RYDHUOVGIFQCPP-UHFFFAOYSA-N 0 0 475.203 4.488 50 0 JIAARN O=C(NCCOc1ccc(C2CCCCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000008867237 526356885 /nfs/dbraw/zinc/35/68/85/526356885.db2.gz GQXCJIBDRLSGEL-DEOSSOPVSA-N 0 0 456.608 4.083 50 0 JIAARN Cc1nnc(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)n1-c1ccccc1 ZINC000089651212 526380837 /nfs/dbraw/zinc/38/08/37/526380837.db2.gz ZEGMLIXEICBDPW-UHFFFAOYSA-N 0 0 499.662 4.180 50 0 JIAARN O=C(NCCc1c[nH]c2ccccc12)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000008790125 526395042 /nfs/dbraw/zinc/39/50/42/526395042.db2.gz FZZQHHUDHASSMN-BDYUSTAISA-N 0 0 460.537 4.478 50 0 biogenic JIAARN Cc1csc(SCC(=O)N2CCC[C@@H](c3nc(SC[C@H]4CCCO4)ncc3C)C2)n1 ZINC000012330700 526398297 /nfs/dbraw/zinc/39/82/97/526398297.db2.gz RVXATNGXALXCAH-IAGOWNOFSA-N 0 0 464.682 4.319 50 0 JIAARN O=C(OC[C@H]1CCCO1)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2(=O)=O ZINC000008599503 526423510 /nfs/dbraw/zinc/42/35/10/526423510.db2.gz JSDQEVWVHYOAOR-HXUWFJFHSA-N 0 0 495.528 4.155 50 0 JIAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2cccc(C(F)(F)F)c2)c1=O)NCc1ccco1 ZINC000045896514 526430565 /nfs/dbraw/zinc/43/05/65/526430565.db2.gz IOYBYBYXBDTUSY-UHFFFAOYSA-N 0 0 499.489 4.310 50 0 JIAARN 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/nfs/dbraw/zinc/69/83/68/526698368.db2.gz PERCJXWNBGPDAD-IRLDBZIGSA-N 0 0 498.576 4.306 50 0 JIAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000021882975 526709830 /nfs/dbraw/zinc/70/98/30/526709830.db2.gz QVGQWHJSUHRTEU-UHFFFAOYSA-N 0 0 460.921 4.366 50 0 JIAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000090613832 526710638 /nfs/dbraw/zinc/71/06/38/526710638.db2.gz OCOCMGDTEMSIFJ-OAQYLSRUSA-N 0 0 483.417 4.382 50 0 JIAARN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000035374667 526728970 /nfs/dbraw/zinc/72/89/70/526728970.db2.gz KLXOMDQDFSGCLW-UODYQJQCSA-N 0 0 470.550 4.234 50 0 JIAARN O=C(NCc1ccccc1)c1ccc2c(c1)NC(=O)[C@@H](N1CCN(c3ccc(Cl)cc3)CC1)S2 ZINC000036201457 526738857 /nfs/dbraw/zinc/73/88/57/526738857.db2.gz GIMFBTVIWTUELF-SANMLTNESA-N 0 0 493.032 4.463 50 0 JIAARN O=C(NCc1ccccc1Cl)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)c1 ZINC000035458523 526748566 /nfs/dbraw/zinc/74/85/66/526748566.db2.gz 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O=C(CNC(=O)Cc1ccc(Cl)cc1)Nc1cccc(OCc2nnc(-c3ccc(F)cc3)o2)c1 ZINC000033307327 526834408 /nfs/dbraw/zinc/83/44/08/526834408.db2.gz OHWDUOJUQFAHEN-UHFFFAOYSA-N 0 0 494.910 4.406 50 0 JIAARN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000033299253 526860839 /nfs/dbraw/zinc/86/08/39/526860839.db2.gz GJCLQUZBYNRJCH-UHFFFAOYSA-N 0 0 457.499 4.241 50 0 JIAARN O=C(c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000048309409 526887277 /nfs/dbraw/zinc/88/72/77/526887277.db2.gz JCYGJYIOYMTBPT-UHFFFAOYSA-N 0 0 498.855 4.271 50 0 JIAARN Cc1sc2c(c1C)c(=O)n(-c1cccc(C(F)(F)F)c1)c(=O)n2CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000020151743 526887476 /nfs/dbraw/zinc/88/74/76/526887476.db2.gz KIUUOPFEVRCMEW-ZIAGYGMSSA-N 0 0 493.551 4.354 50 0 JIAARN O=C(c1cnn2cccnc12)N(Cc1ccc(OCc2cccc(F)c2)cc1)C[C@H]1CCCO1 ZINC000014993931 526893881 /nfs/dbraw/zinc/89/38/81/526893881.db2.gz APZMQYDESKJAEE-HSZRJFAPSA-N 0 0 460.509 4.269 50 0 JIAARN O=C(c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2cccc(F)c2)n1)N1CCCCC1 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553757009 /nfs/dbraw/zinc/75/70/09/553757009.db2.gz MYRWGOHIAZVEAE-OAHLLOKOSA-N 0 0 455.609 4.067 50 0 JIAARN CCc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000687821 553758105 /nfs/dbraw/zinc/75/81/05/553758105.db2.gz CXQTVBPGXCPCBQ-UHFFFAOYSA-N 0 0 454.548 4.344 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)cc1 ZINC000000703943 553762743 /nfs/dbraw/zinc/76/27/43/553762743.db2.gz SIXUKNMAMVLDGZ-UHFFFAOYSA-N 0 0 455.561 4.456 50 0 JIAARN COc1ccc(C(=O)N/C(=C/c2ccc(OC)c(OC)c2)C(=O)Nc2ccccc2OC)cc1 ZINC000000704144 553763015 /nfs/dbraw/zinc/76/30/15/553763015.db2.gz VRIIZDOIHZWSAL-RCCKNPSSSA-N 0 0 462.502 4.131 50 0 JIAARN COc1cc2nc(-c3ccc4c(c3)C(=O)N(c3ccc(C)cc3C)C4=O)oc(=O)c2cc1OC ZINC000000705577 553763597 /nfs/dbraw/zinc/76/35/97/553763597.db2.gz GZCXWWYNMKDTQA-UHFFFAOYSA-N 0 0 456.454 4.290 50 0 JIAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCCC2)cc(Br)c1O ZINC000000706395 553763778 /nfs/dbraw/zinc/76/37/78/553763778.db2.gz CHIFGESFUFCRNA-SFHVURJKSA-N 0 0 467.360 4.447 50 0 JIAARN Cc1ccc(OC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(-n2nc3ccccc3n2)c1 ZINC000000712156 553766946 /nfs/dbraw/zinc/76/69/46/553766946.db2.gz XVOMPDWUQYEAPM-UHFFFAOYSA-N 0 0 490.585 4.431 50 0 JIAARN O=C(N(CN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccccc1)C(F)(F)F ZINC000000712475 553767227 /nfs/dbraw/zinc/76/72/27/553767227.db2.gz NZBHOKDHSMFTFG-BBITVKMKSA-N 0 0 476.454 4.432 50 0 JIAARN COc1ccc(NC(=O)c2cc3nc(-c4ccc5c(c4)OCO5)cc(C(F)(F)F)n3n2)c(OC)c1 ZINC000000721104 553772781 /nfs/dbraw/zinc/77/27/81/553772781.db2.gz LGXAOAXHYLYWJQ-UHFFFAOYSA-N 0 0 486.406 4.413 50 0 JIAARN O=C(Nc1cccnc1Cl)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000000721111 553772783 /nfs/dbraw/zinc/77/27/83/553772783.db2.gz BATUDIHYQZSKGC-UHFFFAOYSA-N 0 0 461.787 4.445 50 0 JIAARN CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000000728969 553775110 /nfs/dbraw/zinc/77/51/10/553775110.db2.gz CXAZCZNNBQUFCM-UHFFFAOYSA-N 0 0 478.526 4.225 50 0 JIAARN CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000000731866 553775796 /nfs/dbraw/zinc/77/57/96/553775796.db2.gz HZAXYVMLBUTHOV-UHFFFAOYSA-N 0 0 459.593 4.105 50 0 JIAARN CC(=O)Nc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000000777970 553778302 /nfs/dbraw/zinc/77/83/02/553778302.db2.gz OJWQPRAMUNPWRX-MRXNPFEDSA-N 0 0 459.786 4.058 50 0 JIAARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000000823571 553787324 /nfs/dbraw/zinc/78/73/24/553787324.db2.gz NANGDBFGRACSQX-GOSISDBHSA-N 0 0 451.317 4.072 50 0 JIAARN COc1ccc(N(CC(=O)Nc2ccccc2OC)S(=O)(=O)c2ccccc2)cc1Cl ZINC000000833373 553791231 /nfs/dbraw/zinc/79/12/31/553791231.db2.gz BUBDLAYLNUBYEF-UHFFFAOYSA-N 0 0 460.939 4.191 50 0 JIAARN Cc1cc(I)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000000837576 553792571 /nfs/dbraw/zinc/79/25/71/553792571.db2.gz QKCONRFKOJJXPI-GFCCVEGCSA-N 0 0 499.146 4.354 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC000000837335 553792611 /nfs/dbraw/zinc/79/26/11/553792611.db2.gz OWBDLSMGXFMWIP-UHFFFAOYSA-N 0 0 480.999 4.053 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(C)=O)c2)c2cc(C)cc(C)c2)cc1OC ZINC000000841974 553793595 /nfs/dbraw/zinc/79/35/95/553793595.db2.gz YAFUAMQNJJZEIR-UHFFFAOYSA-N 0 0 496.585 4.357 50 0 JIAARN CCOc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCc2ccccc2)cc(Br)c1O ZINC000000844307 553794842 /nfs/dbraw/zinc/79/48/42/553794842.db2.gz NFHCDHXSMJVKOW-HXUWFJFHSA-N 0 0 489.366 4.309 50 0 JIAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)Nc2ccccc2OC)C(C)C)cc1 ZINC000000846207 553796164 /nfs/dbraw/zinc/79/61/64/553796164.db2.gz LUJKCPYKMNNEGG-XMMPIXPASA-N 0 0 475.545 4.349 50 0 JIAARN CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccccc1OC ZINC000000846184 553796187 /nfs/dbraw/zinc/79/61/87/553796187.db2.gz SGGWXQSJGZNNEC-FQEVSTJZSA-N 0 0 461.518 4.103 50 0 JIAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCC4)c(Cl)c3N2)cc1OC ZINC000000867128 553807198 /nfs/dbraw/zinc/80/71/98/553807198.db2.gz 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JIAARN CCOc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2C)C3=O)cc1 ZINC000000952519 553881828 /nfs/dbraw/zinc/88/18/28/553881828.db2.gz BDVWKEZWDYBPDR-UHFFFAOYSA-N 0 0 472.497 4.298 50 0 JIAARN Cc1ccc(NC(=O)c2c(C(=O)Nc3ccc(Cl)cc3)sc3nc(=O)c(C)nn32)cc1C ZINC000000957733 553884511 /nfs/dbraw/zinc/88/45/11/553884511.db2.gz MCZKMKKZBXNDIV-UHFFFAOYSA-N 0 0 467.938 4.234 50 0 JIAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)Nc2cccc(OC)c2)C(C)C)cc1 ZINC000000970836 553887208 /nfs/dbraw/zinc/88/72/08/553887208.db2.gz ASQHVDISUHLTGW-XMMPIXPASA-N 0 0 475.545 4.349 50 0 JIAARN COc1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000000972207 553887736 /nfs/dbraw/zinc/88/77/36/553887736.db2.gz PWCRHBMEKDGXIH-UHFFFAOYSA-N 0 0 454.548 4.155 50 0 JIAARN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C)c(C)c2)cc1OC ZINC000000978886 553889944 /nfs/dbraw/zinc/88/99/44/553889944.db2.gz GDDPOXUJMBMWTJ-UHFFFAOYSA-N 0 0 482.602 4.193 50 0 JIAARN CCOc1ccccc1NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 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AZKQTBJUEMSIGL-JOCHJYFZSA-N 0 0 463.534 4.365 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000001218221 553933899 /nfs/dbraw/zinc/93/38/99/553933899.db2.gz FBPKQNSCINKJNZ-QGZVFWFLSA-N 0 0 450.720 4.378 50 0 JIAARN COc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(=O)[nH]c(=O)n(-c4ccc(C)cc4)c3N2)cc1 ZINC000001274290 553939429 /nfs/dbraw/zinc/93/94/29/553939429.db2.gz NGZAWUVFVHPJHY-UHFFFAOYSA-N 0 0 498.383 4.035 50 0 JIAARN O=C(OC[C@@H]1[C@@H](COC(=O)c2ccc(Cl)nc2)C1(Cl)Cl)c1ccc(Cl)nc1 ZINC000001462501 553975931 /nfs/dbraw/zinc/97/59/31/553975931.db2.gz KNVUQSHDCWNWFW-VXGBXAGGSA-N 0 0 450.105 4.217 50 0 JIAARN CCOC(=O)c1cc(NC(=O)CSc2ncnc3sc(C)c(C)c32)cc(C(=O)OCC)c1 ZINC000001896179 554001710 /nfs/dbraw/zinc/00/17/10/554001710.db2.gz COPSVTSKPBYOKF-UHFFFAOYSA-N 0 0 473.576 4.392 50 0 JIAARN CC(C)C[C@@H](C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1)N1C(=O)c2ccccc2C1=O ZINC000001917077 554004164 /nfs/dbraw/zinc/00/41/64/554004164.db2.gz DIMWGNAWZTWTMA-SFHVURJKSA-N 0 0 463.317 4.186 50 0 JIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)c1c(OC)cccc1OC ZINC000001919163 554004616 /nfs/dbraw/zinc/00/46/16/554004616.db2.gz XMMUJFDMHJXGLJ-UHFFFAOYSA-N 0 0 469.515 4.405 50 0 JIAARN CN(Cc1ccccc1)C(=O)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000001953671 554006887 /nfs/dbraw/zinc/00/68/87/554006887.db2.gz YZHBEALGMKUODF-UHFFFAOYSA-N 0 0 459.933 4.390 50 0 JIAARN O=C(c1cccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)c1)N1CCc2ccccc2C1 ZINC000001954064 554007405 /nfs/dbraw/zinc/00/74/05/554007405.db2.gz PGAXNHHFCBUTRU-UHFFFAOYSA-N 0 0 463.965 4.449 50 0 JIAARN CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002064818 554019725 /nfs/dbraw/zinc/01/97/25/554019725.db2.gz KWDAOYRGTLXBIV-FQEVSTJZSA-N 0 0 452.576 4.466 50 0 JIAARN COCCNC(=O)c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl ZINC000002084295 554030049 /nfs/dbraw/zinc/03/00/49/554030049.db2.gz QPNFQBBQIGVRKK-UHFFFAOYSA-N 0 0 477.668 4.207 50 0 JIAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)CC(=O)N23)c1OC ZINC000002098791 554041813 /nfs/dbraw/zinc/04/18/13/554041813.db2.gz CSGNPQAKKLDMQI-BKMJKUGQSA-N 0 0 473.573 4.203 50 0 biogenic JIAARN CC(C)OCCCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@H]2c2ccc(Cl)cc2)C1=O ZINC000002104858 554045478 /nfs/dbraw/zinc/04/54/78/554045478.db2.gz NHYPCBFCPWDXCT-RCZVLFRGSA-N 0 0 465.981 4.321 50 0 biogenic JIAARN Cc1oc2cc3oc(=O)c(CCC(=O)N4CCC(C(N)=O)CC4)c(C)c3cc2c1-c1ccccc1 ZINC000002113878 554052255 /nfs/dbraw/zinc/05/22/55/554052255.db2.gz YDNORMNQUHRUTP-UHFFFAOYSA-N 0 0 472.541 4.480 50 0 biogenic JIAARN COc1ccc(CN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3ccccc3C)C2=O)cc1 ZINC000002118598 554054541 /nfs/dbraw/zinc/05/45/41/554054541.db2.gz YIHWSCHIYXFRMW-LSYYVWMOSA-N 0 0 465.553 4.370 50 0 biogenic JIAARN COC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(OC)cc3)N2C1=O ZINC000002135172 554061753 /nfs/dbraw/zinc/06/17/53/554061753.db2.gz YTMROUDMDPVDIQ-UKILVPOCSA-N 0 0 481.508 4.446 50 0 biogenic JIAARN COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)cc1 ZINC000002148098 554067551 /nfs/dbraw/zinc/06/75/51/554067551.db2.gz WHDUCNLAEBSWIC-UKILVPOCSA-N 0 0 465.509 4.433 50 0 biogenic JIAARN CCCCc1cc(=O)oc2cc(OC(=O)[C@H](CC)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002148311 554067874 /nfs/dbraw/zinc/06/78/74/554067874.db2.gz LWTSYQDMGRFFTA-NRFANRHFSA-N 0 0 457.548 4.107 50 0 biogenic JIAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002149563 554068694 /nfs/dbraw/zinc/06/86/94/554068694.db2.gz XPSWTAMVCRPOAY-QGZVFWFLSA-N 0 0 457.548 4.025 50 0 JIAARN CCOc1ccc(I)c(/C=C2/C(=O)N(C)C(=S)N2c2ccccc2)c1 ZINC000002177780 554077815 /nfs/dbraw/zinc/07/78/15/554077815.db2.gz DSHMFHCMBZXHPP-ATVHPVEESA-N 0 0 464.328 4.294 50 0 JIAARN COC(=O)[C@](NC(=O)c1cccc(C)c1)(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000002190729 554085829 /nfs/dbraw/zinc/08/58/29/554085829.db2.gz CXTTZTWBZVKEQC-QGZVFWFLSA-N 0 0 450.335 4.167 50 0 JIAARN O=C(NCCc1ccccc1)c1cnn2c1N[C@@H](c1ccc3c(c1)OCO3)C[C@@H]2C(F)(F)F ZINC000002208487 554093731 /nfs/dbraw/zinc/09/37/31/554093731.db2.gz STIQVRVDJHTPFE-YLJYHZDGSA-N 0 0 458.440 4.245 50 0 JIAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(CCc2ccc(Cl)cc2)C1=S ZINC000002231490 554105299 /nfs/dbraw/zinc/10/52/99/554105299.db2.gz WFJLPIPHXIJCSJ-SFHVURJKSA-N 0 0 450.391 4.382 50 0 JIAARN COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)cc2)N2NC=NC2=N3)cc1 ZINC000002231587 554105626 /nfs/dbraw/zinc/10/56/26/554105626.db2.gz ZCPXEGOKYXYPQK-LOSJGSFVSA-N 0 0 466.497 4.286 50 0 JIAARN COc1ccccc1Cn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 ZINC000002235122 554107177 /nfs/dbraw/zinc/10/71/77/554107177.db2.gz WVXRPVOEIUCZBX-UHFFFAOYSA-N 0 0 450.545 4.118 50 0 JIAARN CCOC(=O)c1ccccc1-n1cc2c(c1-c1ccc(C(C)(C)C)cc1)c(=O)n(C)c(=O)n2C ZINC000002235041 554107191 /nfs/dbraw/zinc/10/71/91/554107191.db2.gz HSSSSTFSXSXCJH-UHFFFAOYSA-N 0 0 459.546 4.169 50 0 JIAARN CCCCn1c(=O)nc2n(-c3ccc(C(=O)OCC)cc3)c3c(cc-2c1=O)c(C)nn3-c1ccccc1 ZINC000002263186 554122931 /nfs/dbraw/zinc/12/29/31/554122931.db2.gz OYSDLXAMYZPGAZ-UHFFFAOYSA-N 0 0 497.555 4.123 50 0 JIAARN Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000002265902 554124980 /nfs/dbraw/zinc/12/49/80/554124980.db2.gz GESKJQSUDSDRQL-UHFFFAOYSA-N 0 0 498.612 4.072 50 0 JIAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc5ccccc45)c(=O)n32)cc1 ZINC000002279102 554130239 /nfs/dbraw/zinc/13/02/39/554130239.db2.gz KYXHEVJVGAUREB-SJJVXOANSA-N 0 0 498.604 4.349 50 0 JIAARN COc1ccc(NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2Cl)cc1 ZINC000002287462 554133755 /nfs/dbraw/zinc/13/37/55/554133755.db2.gz VVUVUCFHZBVNJA-NDENLUEZSA-N 0 0 450.878 4.487 50 0 JIAARN COc1ccc(-n2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)cc1OC ZINC000002290449 554134662 /nfs/dbraw/zinc/13/46/62/554134662.db2.gz LNMUREVSCALSST-UHFFFAOYSA-N 0 0 453.502 4.103 50 0 JIAARN CNC(=S)NNc1nc2c(c(=O)n1-c1ccccc1OC)C1(CCCCC1)Cc1ccccc1-2 ZINC000002298711 554138683 /nfs/dbraw/zinc/13/86/83/554138683.db2.gz RCBWLTRGJOTBHD-UHFFFAOYSA-N 0 0 475.618 4.087 50 0 JIAARN COc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000002345737 554158586 /nfs/dbraw/zinc/15/85/86/554158586.db2.gz YTHDCUCOECLFQM-DNRSQYFGSA-N 0 0 454.567 4.019 50 0 JIAARN O=c1/c(=C/c2ccc(Cl)c(Cl)c2)sc2nc(-c3ccccc3Br)nn12 ZINC000002356442 554163949 /nfs/dbraw/zinc/16/39/49/554163949.db2.gz QBZWCSGJBAUNRY-ZSOIEALJSA-N 0 0 453.148 4.435 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1Cl ZINC000002361920 554166191 /nfs/dbraw/zinc/16/61/91/554166191.db2.gz WKPHMDQOAHOPNL-UHFFFAOYSA-N 0 0 455.927 4.374 50 0 JIAARN COCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000002365803 554167658 /nfs/dbraw/zinc/16/76/58/554167658.db2.gz JMHJUXKSXQFMHE-GOSISDBHSA-N 0 0 488.334 4.078 50 0 JIAARN COc1cc(OC)cc(-n2c(N)c(C(=O)NCc3ccc(F)cc3)c3nc4ccccc4nc32)c1 ZINC000002380402 554175312 /nfs/dbraw/zinc/17/53/12/554175312.db2.gz SCSXTMVBVIQQBY-UHFFFAOYSA-N 0 0 471.492 4.242 50 0 JIAARN CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(OC)cc1 ZINC000002399334 554184949 /nfs/dbraw/zinc/18/49/49/554184949.db2.gz TZCDFJRCIUFNIJ-UHFFFAOYSA-N 0 0 482.606 4.012 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2N)cc1OC ZINC000002409125 554190677 /nfs/dbraw/zinc/19/06/77/554190677.db2.gz PWULLSQEMUFSED-UHFFFAOYSA-N 0 0 477.546 4.199 50 0 JIAARN COc1cc([C@H]2CC(=O)c3cnc(NC(=O)c4cccc(Cl)c4)nc3C2)cc(OC)c1OC ZINC000002435344 554207137 /nfs/dbraw/zinc/20/71/37/554207137.db2.gz FGMCNVDPKMUKTB-CQSZACIVSA-N 0 0 467.909 4.321 50 0 JIAARN COc1ccc(S(=O)(=O)c2c(N)n(Cc3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002440629 554209581 /nfs/dbraw/zinc/20/95/81/554209581.db2.gz NUYJXJKLROKCHR-UHFFFAOYSA-N 0 0 458.543 4.365 50 0 JIAARN COc1ccccc1CN1CN(S(=O)(=O)c2ccc(C)c(C)c2)c2nc3ccccc3nc21 ZINC000002449243 554216495 /nfs/dbraw/zinc/21/64/95/554216495.db2.gz VFQGZLHGWCUOKW-UHFFFAOYSA-N 0 0 460.559 4.428 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2Cc2ccco2)cc1 ZINC000002450045 554217086 /nfs/dbraw/zinc/21/70/86/554217086.db2.gz JBHKNKHRSFAFMX-UHFFFAOYSA-N 0 0 464.503 4.055 50 0 JIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1noc2c1CCc1cc(OC)ccc1-2 ZINC000002466079 554224144 /nfs/dbraw/zinc/22/41/44/554224144.db2.gz QNNBENNIPLYHEU-UHFFFAOYSA-N 0 0 454.504 4.450 50 0 JIAARN CN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc(Br)cc1 ZINC000002471792 554224878 /nfs/dbraw/zinc/22/48/78/554224878.db2.gz CCNNELBWDQTYHK-QGZVFWFLSA-N 0 0 473.392 4.239 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC)ccc4ccccc43)c(=O)n2[C@@H]1c1ccccc1 ZINC000002479180 554225715 /nfs/dbraw/zinc/22/57/15/554225715.db2.gz UONGNXIYOHDWDX-KDSDTBODSA-N 0 0 498.604 4.350 50 0 JIAARN O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000002483616 554226459 /nfs/dbraw/zinc/22/64/59/554226459.db2.gz UJNXZJDNEGQXLB-UHFFFAOYSA-N 0 0 470.601 4.457 50 0 JIAARN CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(Cl)cc2)SCC3)s1 ZINC000002496895 554228599 /nfs/dbraw/zinc/22/85/99/554228599.db2.gz NLSUJJDNHSCICY-UHFFFAOYSA-N 0 0 498.080 4.228 50 0 JIAARN O=S(=O)(c1ccc2ccccc2c1)N1CCCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000002574828 554236956 /nfs/dbraw/zinc/23/69/56/554236956.db2.gz MSIVJNAYNYSLBC-UHFFFAOYSA-N 0 0 480.611 4.078 50 0 JIAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(SCC(=O)NC[C@@H]3CCCO3)o2)cc1 ZINC000002601810 554240470 /nfs/dbraw/zinc/24/04/70/554240470.db2.gz ABQFVPXSRIYAGX-IBGZPJMESA-N 0 0 486.615 4.179 50 0 JIAARN O=S(=O)(c1cccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)c1)N1CCCCC1 ZINC000002617970 554242544 /nfs/dbraw/zinc/24/25/44/554242544.db2.gz LNBIYRSLUJEAIT-UHFFFAOYSA-N 0 0 483.575 4.254 50 0 JIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000002618869 554243402 /nfs/dbraw/zinc/24/34/02/554243402.db2.gz FYJXWGPMJZRTSG-UHFFFAOYSA-N 0 0 479.407 4.108 50 0 JIAARN CCOC(=O)c1c(-c2ccccc2)c[nH]c1SCC(=O)NCc1ccc(OC)c(OC)c1 ZINC000002619140 554243879 /nfs/dbraw/zinc/24/38/79/554243879.db2.gz PBXZYOUTRCHJGH-UHFFFAOYSA-N 0 0 454.548 4.284 50 0 JIAARN C[C@H](c1nnc(SCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)n1-c1ccc(F)cc1)N(C)C ZINC000002625101 554249092 /nfs/dbraw/zinc/24/90/92/554249092.db2.gz BNLBCNCQDVYHPX-SECBINFHSA-N 0 0 489.445 4.455 50 0 JIAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000002631524 554253529 /nfs/dbraw/zinc/25/35/29/554253529.db2.gz XPWWQFYDGBSRJC-UHFFFAOYSA-N 0 0 469.560 4.189 50 0 JIAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)C(C)C)c1 ZINC000002631522 554253548 /nfs/dbraw/zinc/25/35/48/554253548.db2.gz NAAUPBBGHRAPRZ-FQEVSTJZSA-N 0 0 475.517 4.499 50 0 JIAARN CSc1ncccc1C(=O)OCC(=O)c1cc(C)n(C[C@@H]2COc3ccccc3O2)c1C ZINC000002634312 554255307 /nfs/dbraw/zinc/25/53/07/554255307.db2.gz TZEAZSNXTCDPCD-QGZVFWFLSA-N 0 0 452.532 4.102 50 0 JIAARN O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)Nc1nc2ccccc2s1 ZINC000002635086 554255832 /nfs/dbraw/zinc/25/58/32/554255832.db2.gz XYPAYVWGTRHLSR-UHFFFAOYSA-N 0 0 485.518 4.032 50 0 JIAARN O=c1cc(CSc2nnc(Nc3ccccc3F)s2)nc2ccc(Br)cn12 ZINC000002635448 554256150 /nfs/dbraw/zinc/25/61/50/554256150.db2.gz SKDFUFYDABHFMV-UHFFFAOYSA-N 0 0 464.345 4.484 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cccc(OCc3c(C)noc3C)c2)c1C ZINC000002650643 554266718 /nfs/dbraw/zinc/26/67/18/554266718.db2.gz ZZFBSSOOCWZACE-QGZVFWFLSA-N 0 0 468.506 4.420 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cccc(OCc3c(C)noc3C)c2)c1C ZINC000002650644 554266728 /nfs/dbraw/zinc/26/67/28/554266728.db2.gz ZZFBSSOOCWZACE-KRWDZBQOSA-N 0 0 468.506 4.420 50 0 JIAARN O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1ccccc1C(F)(F)F ZINC000002652295 554268259 /nfs/dbraw/zinc/26/82/59/554268259.db2.gz DQNZZXGWWDEHLG-UHFFFAOYSA-N 0 0 478.448 4.302 50 0 JIAARN CC[C@@H](Sc1nc2c3ccccc3sc2c(=O)n1CCCOC)C(=O)NCc1ccco1 ZINC000002687378 554283470 /nfs/dbraw/zinc/28/34/70/554283470.db2.gz UTICNKZTYMYUSD-QGZVFWFLSA-N 0 0 471.604 4.428 50 0 JIAARN CCOc1ccc(S(=O)(=O)c2cn(Cc3ccc(F)cc3)c3ccc(OC)cc3c2=O)cc1 ZINC000002687979 554283873 /nfs/dbraw/zinc/28/38/73/554283873.db2.gz RZYUTQMNEJFFKN-UHFFFAOYSA-N 0 0 467.518 4.429 50 0 JIAARN COc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3cc4c(cc32)OCCO4)c1 ZINC000002690171 554285506 /nfs/dbraw/zinc/28/55/06/554285506.db2.gz VAEVQEKTPGYVAM-UHFFFAOYSA-N 0 0 498.535 4.268 50 0 JIAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(F)cc1)cc(C(=O)c1ccccc1)c2=O ZINC000002690778 554285998 /nfs/dbraw/zinc/28/59/98/554285998.db2.gz IKAHXCOHIZWFBK-UHFFFAOYSA-N 0 0 460.461 4.028 50 0 JIAARN CCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)cc1 ZINC000002690967 554286179 /nfs/dbraw/zinc/28/61/79/554286179.db2.gz KIJYARWXEYIAHR-UHFFFAOYSA-N 0 0 460.555 4.344 50 0 JIAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)cc1C ZINC000002691057 554286433 /nfs/dbraw/zinc/28/64/33/554286433.db2.gz GZGOVBSSGSGWKZ-UHFFFAOYSA-N 0 0 490.581 4.489 50 0 JIAARN O=C(Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)ccc21)Nc1ccc(F)c(Cl)c1 ZINC000002691003 554286475 /nfs/dbraw/zinc/28/64/75/554286475.db2.gz WKHYLOLKINODPP-UHFFFAOYSA-N 0 0 488.899 4.405 50 0 JIAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(F)cc1 ZINC000002691410 554287161 /nfs/dbraw/zinc/28/71/61/554287161.db2.gz YZTJZIGMNHXUGY-UHFFFAOYSA-N 0 0 498.507 4.150 50 0 JIAARN O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000002691437 554287440 /nfs/dbraw/zinc/28/74/40/554287440.db2.gz JVJIBVPZOGOXFZ-UHFFFAOYSA-N 0 0 470.909 4.266 50 0 JIAARN COc1cc2c(cc1OC)n(Cc1ccccc1F)cc(S(=O)(=O)c1ccc(F)cc1)c2=O ZINC000002692041 554288171 /nfs/dbraw/zinc/28/81/71/554288171.db2.gz ATPXHSMJXFVIJQ-UHFFFAOYSA-N 0 0 471.481 4.178 50 0 JIAARN CCc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(OC)cc3)c(=O)c3ccccc32)cc1 ZINC000002693228 554289850 /nfs/dbraw/zinc/28/98/50/554289850.db2.gz WLMQZLSTAUMAEL-UHFFFAOYSA-N 0 0 476.554 4.044 50 0 JIAARN O=C(COC(=O)c1cc2cc(Br)cc(Br)c2oc1=O)c1cccs1 ZINC000002696603 554292584 /nfs/dbraw/zinc/29/25/84/554292584.db2.gz QDWMODMAKUKNKL-UHFFFAOYSA-N 0 0 472.110 4.419 50 0 JIAARN Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Br)cc2)s1 ZINC000002704441 554294897 /nfs/dbraw/zinc/29/48/97/554294897.db2.gz FMRVVDMEYIMIHF-INIZCTEOSA-N 0 0 454.305 4.465 50 0 JIAARN COc1cc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(Br)cc32)ccc1Cl ZINC000002707006 554295789 /nfs/dbraw/zinc/29/57/89/554295789.db2.gz JZHQQVQWYHFVIZ-UHFFFAOYSA-N 0 0 457.777 4.422 50 0 JIAARN COc1cc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccccc2)cc(OC)c1OC ZINC000002724829 554311499 /nfs/dbraw/zinc/31/14/99/554311499.db2.gz BYXZBAXYXFMGIS-HSZRJFAPSA-N 0 0 450.466 4.035 50 0 JIAARN NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000002764616 554332968 /nfs/dbraw/zinc/33/29/68/554332968.db2.gz ORCDAEDXFKSLHD-UHFFFAOYSA-N 0 0 451.935 4.133 50 0 JIAARN O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000002794802 554350147 /nfs/dbraw/zinc/35/01/47/554350147.db2.gz KOYBTRNJLRWWEK-UHFFFAOYSA-N 0 0 454.303 4.330 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O=C(Nc1nc2c(s1)CCCC2)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000003350096 554456229 /nfs/dbraw/zinc/45/62/29/554456229.db2.gz YXMJNHXQXMDJRK-UHFFFAOYSA-N 0 0 453.589 4.416 50 0 aggregator JIAARN CC(=O)NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1 ZINC000004122674 554474776 /nfs/dbraw/zinc/47/47/76/554474776.db2.gz XCHICCKPNUXKAR-UHFFFAOYSA-N 0 0 478.874 4.195 50 0 JIAARN CC1CCN(C(=O)c2cccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)c2)CC1 ZINC000006144236 554510116 /nfs/dbraw/zinc/51/01/16/554510116.db2.gz NQHJPLCGSHBBFB-UHFFFAOYSA-N 0 0 451.954 4.033 50 0 JIAARN Cc1nc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)ccc1I ZINC000006767161 554557708 /nfs/dbraw/zinc/55/77/08/554557708.db2.gz GIWSIAFQKIPRAX-UHFFFAOYSA-N 0 0 453.349 4.419 50 0 JIAARN CCOC(=O)c1ccc(NC(=S)NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1 ZINC000008385976 554569129 /nfs/dbraw/zinc/56/91/29/554569129.db2.gz VNDUABJYTSYTIO-UHFFFAOYSA-N 0 0 460.552 4.186 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1OC ZINC000008395889 554570529 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ZINC000008753929 554655708 /nfs/dbraw/zinc/65/57/08/554655708.db2.gz MDINBFRZMJQALX-FQEVSTJZSA-N 0 0 465.453 4.398 50 0 JIAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000008755765 554657786 /nfs/dbraw/zinc/65/77/86/554657786.db2.gz KXZKCANLCJRGQP-HRFSGMKKSA-N 0 0 463.578 4.115 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)NCc2cn3ccccc3n2)cc1 ZINC000008761960 554661445 /nfs/dbraw/zinc/66/14/45/554661445.db2.gz QUXWZAHWGZPISV-RUZDIDTESA-N 0 0 481.556 4.117 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)Nc1ccccc1C(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000008764518 554664870 /nfs/dbraw/zinc/66/48/70/554664870.db2.gz AOMYTJQJTRDNLM-UHFFFAOYSA-N 0 0 475.501 4.275 50 0 biogenic JIAARN COc1ccc(/C=C2/c3ccc(Cl)cc3N(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000008764860 554665308 /nfs/dbraw/zinc/66/53/08/554665308.db2.gz HSJDLDYUULZXCD-MFPMQTHCSA-N 0 0 487.987 4.474 50 0 biogenic JIAARN COc1cc2c(c3oc(=O)c(CCC(=O)NCCc4ccc(O)cc4)c(C)c13)CCC(C)(C)O2 ZINC000008765128 554665585 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MDWYWZHPACGHRQ-INIZCTEOSA-N 0 0 470.967 4.440 50 0 JIAARN Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2-c2ccccc2)c1 ZINC000008792793 554686221 /nfs/dbraw/zinc/68/62/21/554686221.db2.gz ARSSLZIAUXTRRK-UHFFFAOYSA-N 0 0 463.588 4.298 50 0 JIAARN CCN(CCCNC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)c1cccc(C)c1 ZINC000008813368 554695634 /nfs/dbraw/zinc/69/56/34/554695634.db2.gz MFUJPZSUTKLENN-UHFFFAOYSA-N 0 0 471.667 4.113 50 0 JIAARN COc1cc(C(=O)OCC(=O)Nc2cccc(SC)c2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000008824848 554712330 /nfs/dbraw/zinc/71/23/30/554712330.db2.gz JGVBUZJXNZKSEG-UHFFFAOYSA-N 0 0 498.532 4.369 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)NC(c2ccc(C)cc2)(c2ccc(C)cc2)C1=O ZINC000008825259 554713511 /nfs/dbraw/zinc/71/35/11/554713511.db2.gz BZTVHZDJYYHFMF-UHFFFAOYSA-N 0 0 487.556 4.103 50 0 JIAARN O=C1N(c2cccc(Br)c2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 ZINC000008828015 554718095 /nfs/dbraw/zinc/71/80/95/554718095.db2.gz TUAOBQYHUONLPV-HOTGVXAUSA-N 0 0 475.286 4.080 50 0 JIAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCSC1CCCCC1 ZINC000008829856 554719895 /nfs/dbraw/zinc/71/98/95/554719895.db2.gz SINRHXNHUKLBPA-UHFFFAOYSA-N 0 0 450.601 4.203 50 0 JIAARN CCOc1ccccc1N(CC(=O)NCCSc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000008830832 554720514 /nfs/dbraw/zinc/72/05/14/554720514.db2.gz RAMJSBHIKWTNEZ-UHFFFAOYSA-N 0 0 470.616 4.189 50 0 JIAARN COc1cc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCOC(C)C)ccc1O ZINC000008845778 554743721 /nfs/dbraw/zinc/74/37/21/554743721.db2.gz RUAZILKKAKGNCY-XMMPIXPASA-N 0 0 451.523 4.165 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1[C@H](C)c1ccccc1 ZINC000008850531 554747566 /nfs/dbraw/zinc/74/75/66/554747566.db2.gz XLIPULORGQUCOO-CRYYWNKWSA-N 0 0 473.529 4.093 50 0 JIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)NCCc3ccc(Cl)cc3)cs2)c1 ZINC000008851199 554748042 /nfs/dbraw/zinc/74/80/42/554748042.db2.gz CPXOFCCKFHTXQT-UHFFFAOYSA-N 0 0 476.023 4.437 50 0 JIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cc(OC)ccc3OC)cs2)cc1 ZINC000008851580 554748320 /nfs/dbraw/zinc/74/83/20/554748320.db2.gz XMZSHKFSFWGQEO-UHFFFAOYSA-N 0 0 473.576 4.081 50 0 JIAARN O=C(CSc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1)Nc1ccc(F)cc1 ZINC000008851781 554748542 /nfs/dbraw/zinc/74/85/42/554748542.db2.gz QOJMIVPWDIBEAN-UHFFFAOYSA-N 0 0 488.585 4.043 50 0 JIAARN CN1CCc2c(OCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)cccc2C1=O ZINC000008855233 554750791 /nfs/dbraw/zinc/75/07/91/554750791.db2.gz YMMHRANYIBCBQH-OAQYLSRUSA-N 0 0 463.534 4.272 50 0 JIAARN COc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)C(C)C)cc1 ZINC000008860924 554757513 /nfs/dbraw/zinc/75/75/13/554757513.db2.gz GGNPIEFRIRGMTA-QHCPKHFHSA-N 0 0 461.566 4.073 50 0 JIAARN CCc1nnc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)s1 ZINC000008861066 554757791 /nfs/dbraw/zinc/75/77/91/554757791.db2.gz LZQYREFCEKPVFT-UHFFFAOYSA-N 0 0 481.584 4.242 50 0 JIAARN COc1ccc(Cc2nnc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)n2N)cc1 ZINC000008861376 554758539 /nfs/dbraw/zinc/75/85/39/554758539.db2.gz ZHSYAWAKPGKGCD-STQMWFEESA-N 0 0 480.421 4.256 50 0 JIAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000008861616 554758844 /nfs/dbraw/zinc/75/88/44/554758844.db2.gz YPODBPYWBDBGSS-QGZVFWFLSA-N 0 0 470.558 4.185 50 0 JIAARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000008861999 554759487 /nfs/dbraw/zinc/75/94/87/554759487.db2.gz MNALZBOGDWAVOE-UHFFFAOYSA-N 0 0 456.546 4.022 50 0 JIAARN Cc1nc(COc2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)cc2)cs1 ZINC000008862129 554759769 /nfs/dbraw/zinc/75/97/69/554759769.db2.gz AOIXRNOLTBYORQ-UHFFFAOYSA-N 0 0 457.577 4.067 50 0 JIAARN CC[C@H](N1C(=O)N[C@](NC(=O)c2ccc(F)cc2)(C(F)(F)F)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000008868599 554762159 /nfs/dbraw/zinc/76/21/59/554762159.db2.gz IURLZLXNDXHRJK-KFZWSAGZSA-N 0 0 481.490 4.361 50 0 JIAARN COc1cc2c(cc1OC)C1=NC(=O)[C@H](C(C)C)N1C(SCc1csc(Cl)n1)=N2 ZINC000008873489 554770152 /nfs/dbraw/zinc/77/01/52/554770152.db2.gz BBEVBOKKUVKBCI-HNNXBMFYSA-N 0 0 450.973 4.362 50 0 JIAARN CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@@H](C)c1ccccc1 ZINC000008876251 554771521 /nfs/dbraw/zinc/77/15/21/554771521.db2.gz UGJPRYZJYHYVFF-CCUPELQVSA-N 0 0 465.619 4.053 50 0 biogenic JIAARN CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000008877712 554773120 /nfs/dbraw/zinc/77/31/20/554773120.db2.gz JGWRNJNYYSKBOO-UHFFFAOYSA-N 0 0 473.639 4.039 50 0 JIAARN C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000008879032 554774516 /nfs/dbraw/zinc/77/45/16/554774516.db2.gz AFSNHBSCYTWTPM-VIFPVBQESA-N 0 0 498.248 4.216 50 0 JIAARN COc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCCC1 ZINC000008879532 554775122 /nfs/dbraw/zinc/77/51/22/554775122.db2.gz OHGPXDFNAAOXLT-JOCHJYFZSA-N 0 0 488.656 4.391 50 0 JIAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)C1=O ZINC000008880422 554775775 /nfs/dbraw/zinc/77/57/75/554775775.db2.gz NSQHAZCLGMBPHY-CJFMBICVSA-N 0 0 476.920 4.078 50 0 JIAARN COc1ccc([C@H](NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc2)cc1 ZINC000008882582 554777309 /nfs/dbraw/zinc/77/73/09/554777309.db2.gz LRXBEGZZLBVSHD-HHHXNRCGSA-N 0 0 463.622 4.015 50 0 JIAARN CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)CSc3ccc4ccccc4c3)ccc21 ZINC000008883946 554778664 /nfs/dbraw/zinc/77/86/64/554778664.db2.gz KEIZSTWPSOWCOV-UHFFFAOYSA-N 0 0 469.584 4.070 50 0 JIAARN CN(Cc1cccs1)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000008899718 554790747 /nfs/dbraw/zinc/79/07/47/554790747.db2.gz RDCUQXCQWXBALP-UHFFFAOYSA-N 0 0 464.572 4.475 50 0 JIAARN Cc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)n1 ZINC000008899753 554790926 /nfs/dbraw/zinc/79/09/26/554790926.db2.gz LNBUPUCSMXJTSM-GOSISDBHSA-N 0 0 492.584 4.375 50 0 JIAARN Cc1ccccc1-n1nnnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000008901627 554795053 /nfs/dbraw/zinc/79/50/53/554795053.db2.gz KFDLPRDCNCQNDR-QGZVFWFLSA-N 0 0 450.549 4.095 50 0 JIAARN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cncc(Br)c2)CC1 ZINC000008904423 554798672 /nfs/dbraw/zinc/79/86/72/554798672.db2.gz HZBAKEGZIMPIHO-UHFFFAOYSA-N 0 0 465.779 4.054 50 0 JIAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 ZINC000008910106 554800368 /nfs/dbraw/zinc/80/03/68/554800368.db2.gz XGDUSMUWXUPMFK-UHFFFAOYSA-N 0 0 457.555 4.461 50 0 JIAARN O=C(NCc1ccccc1Br)C1CCN(C(=O)c2sccc2-n2cccc2)CC1 ZINC000008911554 554800584 /nfs/dbraw/zinc/80/05/84/554800584.db2.gz XAOYAEXNGLOWFO-UHFFFAOYSA-N 0 0 472.408 4.470 50 0 JIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)CC1 ZINC000008912514 554802936 /nfs/dbraw/zinc/80/29/36/554802936.db2.gz UVLKJZMDZRSECC-UHFFFAOYSA-N 0 0 450.970 4.047 50 0 JIAARN Cc1cc2oc(C(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2cc1Cl ZINC000008915286 554808722 /nfs/dbraw/zinc/80/87/22/554808722.db2.gz ZZYGOIINWVWMDQ-MRXNPFEDSA-N 0 0 480.369 4.238 50 0 JIAARN CCOC(=O)c1sc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)c(C(=O)OCC)c1C ZINC000008915584 554809552 /nfs/dbraw/zinc/80/95/52/554809552.db2.gz ITEPWHCNLJCJIJ-UHFFFAOYSA-N 0 0 457.504 4.385 50 0 JIAARN COc1cccc(CN(C(=O)c2oc3cc(Br)ccc3c2C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000008915749 554809888 /nfs/dbraw/zinc/80/98/88/554809888.db2.gz CTRPXOMWFIKKRH-KRWDZBQOSA-N 0 0 492.391 4.342 50 0 JIAARN Cc1ccc2nc(NC(=O)c3nc(S(=O)(=O)Cc4ccccc4F)ncc3Cl)sc2c1 ZINC000008916825 554811385 /nfs/dbraw/zinc/81/13/85/554811385.db2.gz BPTBFGVHGYFYMG-UHFFFAOYSA-N 0 0 476.942 4.413 50 0 JIAARN CCCCOCCCNC(=O)c1cccc(N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)c1 ZINC000008918509 554815040 /nfs/dbraw/zinc/81/50/40/554815040.db2.gz DVOFYGNRCKOPMG-NDEPHWFRSA-N 0 0 488.588 4.345 50 0 biogenic JIAARN COc1cccc(Cn2c(C)c(C[NH2+]CCc3ccc(OC)c(OC)c3OC)c(C(=O)[O-])c2C)c1 ZINC000008932956 554826666 /nfs/dbraw/zinc/82/66/66/554826666.db2.gz OYXOMASCDGCQFJ-UHFFFAOYSA-N 0 0 482.577 4.218 50 0 JIAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)N1CCc2ccccc2C1 ZINC000008933427 554827572 /nfs/dbraw/zinc/82/75/72/554827572.db2.gz ZOFOGNMJEBZQRB-UHFFFAOYSA-N 0 0 466.516 4.124 50 0 JIAARN C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008933729 554828145 /nfs/dbraw/zinc/82/81/45/554828145.db2.gz DZLBKCVRIHOOOU-YKSBVNFPSA-N 0 0 459.594 4.210 50 0 JIAARN O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1cc2c(cc1Br)OCO2 ZINC000008935117 554829942 /nfs/dbraw/zinc/82/99/42/554829942.db2.gz UIIHHNYGRNZOPT-ACAGNQJTSA-N 0 0 451.070 4.285 50 0 JIAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000008936450 554830407 /nfs/dbraw/zinc/83/04/07/554830407.db2.gz OVVKLDRIYWKPFF-OAQYLSRUSA-N 0 0 484.600 4.467 50 0 JIAARN CC(=O)c1sc(-c2ccc(OCC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)cc2)nc1C ZINC000008944776 554832971 /nfs/dbraw/zinc/83/29/71/554832971.db2.gz IWYLXSZKMXQYJR-UHFFFAOYSA-N 0 0 499.614 4.123 50 0 JIAARN COc1cccc(NC(=O)COc2ccc(C(=O)Nc3cc(OC)c(OC)cc3C)cc2)c1 ZINC000008945134 554833215 /nfs/dbraw/zinc/83/32/15/554833215.db2.gz JZMVRAOKUAQFPB-UHFFFAOYSA-N 0 0 450.491 4.291 50 0 JIAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008962959 554838206 /nfs/dbraw/zinc/83/82/06/554838206.db2.gz GMODACJEDXTAKV-UHFFFAOYSA-N 0 0 486.494 4.063 50 0 JIAARN COc1ccc(NC(=O)c2ccc(NC(=O)CSc3n[nH]c(-c4ccccc4)n3)cc2)cc1 ZINC000008966399 554842526 /nfs/dbraw/zinc/84/25/26/554842526.db2.gz LIZBNNFRZUQTGK-UHFFFAOYSA-N 0 0 459.531 4.463 50 0 JIAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)o1 ZINC000008980667 554846752 /nfs/dbraw/zinc/84/67/52/554846752.db2.gz KYHWSLUBKVGFLY-AWEZNQCLSA-N 0 0 456.499 4.206 50 0 JIAARN CC(C)(C)c1cc(NC(=O)CSc2nnc(C3CCCCC3)n2N)n(-c2ccccc2)n1 ZINC000008985298 554848827 /nfs/dbraw/zinc/84/88/27/554848827.db2.gz UKDGNEXEMKDDKS-UHFFFAOYSA-N 0 0 453.616 4.254 50 0 JIAARN NC(=O)[C@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c2ccccc2O1 ZINC000008987554 554850172 /nfs/dbraw/zinc/85/01/72/554850172.db2.gz GKHYKWLKFZCGTB-HSZRJFAPSA-N 0 0 472.932 4.015 50 0 JIAARN O=S(=O)(Cc1ccc(Cl)cc1)NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000009006074 554860385 /nfs/dbraw/zinc/86/03/85/554860385.db2.gz LTDYBOKSKPJMEK-HXUWFJFHSA-N 0 0 485.414 4.023 50 0 JIAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009034006 554868331 /nfs/dbraw/zinc/86/83/31/554868331.db2.gz NNBZEFMXIKRNCV-FNZWTVRRSA-N 0 0 488.496 4.295 50 0 biogenic JIAARN O=C1C[C@H](N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000009046256 554870528 /nfs/dbraw/zinc/87/05/28/554870528.db2.gz ZGKYPAUKBWJUSO-VWLOTQADSA-N 0 0 458.533 4.106 50 0 JIAARN Cc1nc(-c2cccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)NC[C@H]4CCCO4)c3)c2)cs1 ZINC000009048138 554871017 /nfs/dbraw/zinc/87/10/17/554871017.db2.gz UVEQALKSFXSFGV-GOSISDBHSA-N 0 0 492.022 4.482 50 0 JIAARN Cc1ccc(Nc2nnc(SCC(=O)N(c3ccccc3)[C@H]3CCS(=O)(=O)C3)s2)cc1C ZINC000009056767 554875654 /nfs/dbraw/zinc/87/56/54/554875654.db2.gz RHCPDVMCIZFTJY-IBGZPJMESA-N 0 0 488.660 4.211 50 0 JIAARN O=C(Cn1cc(/C=c2/sc3nc4ccccc4n3c2=O)c2ccccc21)Nc1ccccc1 ZINC000009057680 554876710 /nfs/dbraw/zinc/87/67/10/554876710.db2.gz FJEVOYQCEAMRQJ-OEAKJJBVSA-N 0 0 450.523 4.050 50 0 JIAARN Cc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000009071384 554886219 /nfs/dbraw/zinc/88/62/19/554886219.db2.gz QOXWMHUIAAHGSK-QKSFETHESA-N 0 0 483.568 4.321 50 0 JIAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000009088009 554889943 /nfs/dbraw/zinc/88/99/43/554889943.db2.gz ICOGZQXHQUBPGU-UHFFFAOYSA-N 0 0 456.321 4.197 50 0 JIAARN CCN(c1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1)C(C)C ZINC000009092378 554891879 /nfs/dbraw/zinc/89/18/79/554891879.db2.gz BKTGNWHSTWGNLJ-UHFFFAOYSA-N 0 0 489.443 4.387 50 0 JIAARN COc1ccc2[nH]c(SCC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)nc2c1 ZINC000009095737 554893687 /nfs/dbraw/zinc/89/36/87/554893687.db2.gz TXCVADIIKHKIQZ-UHFFFAOYSA-N 0 0 466.485 4.158 50 0 JIAARN CC[C@H](C)[C@@H](C(=O)OCC(=O)NCC(=O)Nc1ccc(Br)cc1C)c1ccccc1 ZINC000009097626 554896354 /nfs/dbraw/zinc/89/63/54/554896354.db2.gz LJCXCPGBVYQGIW-OYHNWAKOSA-N 0 0 475.383 4.185 50 0 JIAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000009111689 554899033 /nfs/dbraw/zinc/89/90/33/554899033.db2.gz ZGZWJTQMOSGVOS-DEOSSOPVSA-N 0 0 486.494 4.028 50 0 JIAARN C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)OCCO3 ZINC000009112348 554899962 /nfs/dbraw/zinc/89/99/62/554899962.db2.gz OZGCTXKVLJTJAS-LJQANCHMSA-N 0 0 496.629 4.271 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc(C[S@@](=O)c3ccccc3Cl)o2)c(OC)c1OC ZINC000009115559 554902394 /nfs/dbraw/zinc/90/23/94/554902394.db2.gz SPAOLSPUTBDSKP-YTTGMZPUSA-N 0 0 477.966 4.239 50 0 JIAARN COc1cccc(N2CCN(C(=O)c3ccc(C[S@@](=O)Cc4ccc(Cl)cc4)o3)CC2)c1 ZINC000009115817 554902803 /nfs/dbraw/zinc/90/28/03/554902803.db2.gz LEDISLYTFWIXSM-JGCGQSQUSA-N 0 0 472.994 4.353 50 0 JIAARN COc1cccc(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccsc32)c1 ZINC000009116917 554905484 /nfs/dbraw/zinc/90/54/84/554905484.db2.gz NEVHBTFXPCFPGT-UHFFFAOYSA-N 0 0 451.533 4.232 50 0 JIAARN COc1ccc(-c2cn3nc(N4CCC(C(=O)NCCCc5ccccc5)CC4)sc3n2)cc1 ZINC000009117353 554906590 /nfs/dbraw/zinc/90/65/90/554906590.db2.gz PULIPKNKKYMRNM-UHFFFAOYSA-N 0 0 475.618 4.432 50 0 JIAARN COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCc5cccs5)C4)sc3n2)cc1 ZINC000009117456 554906906 /nfs/dbraw/zinc/90/69/06/554906906.db2.gz RKAVCJKXVQCJRU-MRXNPFEDSA-N 0 0 453.593 4.061 50 0 JIAARN COc1cccc(N2CCN(C(=O)c3ccc(C[S@](=O)Cc4ccccc4Cl)o3)CC2)c1 ZINC000009117901 554907564 /nfs/dbraw/zinc/90/75/64/554907564.db2.gz VCFLDOIPVUIYIZ-YTTGMZPUSA-N 0 0 472.994 4.353 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCn2cnc3ccccc32)c1 ZINC000009118995 554909314 /nfs/dbraw/zinc/90/93/14/554909314.db2.gz ZKFDRWYXAFBHJU-UHFFFAOYSA-N 0 0 482.993 4.335 50 0 JIAARN CC(C)(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000009119909 554911802 /nfs/dbraw/zinc/91/18/02/554911802.db2.gz JVNYLKXOQJUWSL-UHFFFAOYSA-N 0 0 478.496 4.121 50 0 JIAARN Cc1ccc(-c2nn(CCC(=O)Nc3ccc4c(c3)nc3n4CCOC3)c(=O)c3ccccc32)cc1 ZINC000009124297 554915274 /nfs/dbraw/zinc/91/52/74/554915274.db2.gz DGVWCJUCAFLIST-UHFFFAOYSA-N 0 0 479.540 4.281 50 0 JIAARN COc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000009125765 554918393 /nfs/dbraw/zinc/91/83/93/554918393.db2.gz JQAHXACOULICHC-UHFFFAOYSA-N 0 0 495.626 4.398 50 0 JIAARN CSCC[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1nc2ccccc2[nH]1 ZINC000009125845 554918618 /nfs/dbraw/zinc/91/86/18/554918618.db2.gz NKVRQMNXKIRORJ-QFIPXVFZSA-N 0 0 469.570 4.486 50 0 JIAARN CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cc3ccccc3s2)CC1 ZINC000009126017 554919120 /nfs/dbraw/zinc/91/91/20/554919120.db2.gz KJVFTKVHYGXBAG-UHFFFAOYSA-N 0 0 498.674 4.080 50 0 JIAARN COc1ccc(C(=O)NC(=O)CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cc1 ZINC000009126154 554919518 /nfs/dbraw/zinc/91/95/18/554919518.db2.gz TXCTWKADOYDTHW-KRWDZBQOSA-N 0 0 497.596 4.011 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(-c3ccccc3)o2)c1 ZINC000009127481 554922591 /nfs/dbraw/zinc/92/25/91/554922591.db2.gz MFDDXLWWKJSFKG-UHFFFAOYSA-N 0 0 468.922 4.467 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000009128166 554924518 /nfs/dbraw/zinc/92/45/18/554924518.db2.gz JUZFZEKXKFVYQJ-UHFFFAOYSA-N 0 0 491.975 4.372 50 0 JIAARN CC[C@H](Sc1ncc(S(=O)(=O)c2ccccc2)c(N)n1)C(=O)Nc1c(C)cccc1C ZINC000009152074 554939600 /nfs/dbraw/zinc/93/96/00/554939600.db2.gz PPYSRDMRIVZJAT-KRWDZBQOSA-N 0 0 456.593 4.018 50 0 JIAARN Cc1cc(Cl)ccc1NC(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000009152769 554941433 /nfs/dbraw/zinc/94/14/33/554941433.db2.gz JPIPVMJVTWQJTQ-OLZOCXBDSA-N 0 0 452.985 4.272 50 0 JIAARN Cc1ccc(-n2c(=O)c3c(c4cc(C)ccc4n3C)n(CC(=O)Nc3cccc(C)c3)c2=O)cc1 ZINC000009153573 554943451 /nfs/dbraw/zinc/94/34/51/554943451.db2.gz AJPRTWPHXOIRRZ-UHFFFAOYSA-N 0 0 466.541 4.208 50 0 JIAARN COc1ccc2c(c1)c1c(c(=O)n(-c3ccc(C)cc3)c(=O)n1CC(=O)Nc1c(C)cccc1C)n2C ZINC000009153703 554943922 /nfs/dbraw/zinc/94/39/22/554943922.db2.gz YBYBHIWWYBKVIT-UHFFFAOYSA-N 0 0 496.567 4.217 50 0 JIAARN CN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1C(=O)NCc1ccco1 ZINC000009155182 554945177 /nfs/dbraw/zinc/94/51/77/554945177.db2.gz QYQBFIRSWBRKSQ-UHFFFAOYSA-N 0 0 487.585 4.423 50 0 JIAARN CN(Cc1nc2ccccc2s1)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000009155842 554945688 /nfs/dbraw/zinc/94/56/88/554945688.db2.gz QENNQNYNDZYXDI-UHFFFAOYSA-N 0 0 451.573 4.047 50 0 JIAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009155998 554946004 /nfs/dbraw/zinc/94/60/04/554946004.db2.gz VRNSCPBOMWKYRV-KSSFIOAISA-N 0 0 470.526 4.111 50 0 JIAARN CCCn1c(CCC(=O)NCc2cccc(Cl)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009156712 554946211 /nfs/dbraw/zinc/94/62/11/554946211.db2.gz BGTVZBZPKSAIAD-UHFFFAOYSA-N 0 0 489.041 4.133 50 0 JIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4N=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000009166701 554951551 /nfs/dbraw/zinc/95/15/51/554951551.db2.gz BFEJISZMPJSCAR-KIHHCIJBSA-N 0 0 469.928 4.410 50 0 aggregator JIAARN CCCN1c2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc2OCC(C)(C)C1=O ZINC000009167823 554952073 /nfs/dbraw/zinc/95/20/73/554952073.db2.gz KBOCTZMKKVEKAG-UHFFFAOYSA-N 0 0 452.960 4.311 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN(C)Cc2cccc(OC)c2OC)cc1 ZINC000009168434 554952341 /nfs/dbraw/zinc/95/23/41/554952341.db2.gz QPBRQNQOOMUZKA-UHFFFAOYSA-N 0 0 463.534 4.035 50 0 JIAARN CCN1c2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2OCC(C)(C)C1=O ZINC000009170543 554953366 /nfs/dbraw/zinc/95/33/66/554953366.db2.gz VLWRLBJAYXCVAY-UHFFFAOYSA-N 0 0 453.358 4.021 50 0 JIAARN CCCN1c2cc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc2OCC(C)(C)C1=O ZINC000009172113 554954055 /nfs/dbraw/zinc/95/40/55/554954055.db2.gz MKVOTVYWNQOJRT-UHFFFAOYSA-N 0 0 473.595 4.244 50 0 JIAARN CC(C)CCN1c2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc2OCC(C)(C)C1=O ZINC000009174130 554955030 /nfs/dbraw/zinc/95/50/30/554955030.db2.gz WWWHUZASUAHFHY-UHFFFAOYSA-N 0 0 474.579 4.056 50 0 JIAARN CC(C)(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000009184459 554956775 /nfs/dbraw/zinc/95/67/75/554956775.db2.gz BPZRIOUTZIWVFC-UHFFFAOYSA-N 0 0 483.634 4.150 50 0 JIAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc(Br)cc4C)CC3)CC2=O)cc1 ZINC000009191049 554962840 /nfs/dbraw/zinc/96/28/40/554962840.db2.gz AFKBZBFOHJYBLL-IBGZPJMESA-N 0 0 498.421 4.296 50 0 JIAARN Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)oc2c1 ZINC000009194677 554968234 /nfs/dbraw/zinc/96/82/34/554968234.db2.gz LZVJTOYWUFIPSK-UHFFFAOYSA-N 0 0 462.527 4.487 50 0 JIAARN COCCSc1ccccc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3C)C2)s1 ZINC000009198759 554970160 /nfs/dbraw/zinc/97/01/60/554970160.db2.gz IVBWKIAXFPFXJE-MRXNPFEDSA-N 0 0 468.604 4.358 50 0 JIAARN CCCCn1c(SCC(=O)c2ccc(Br)s2)nc2cc(S(N)(=O)=O)ccc21 ZINC000009200603 554972035 /nfs/dbraw/zinc/97/20/35/554972035.db2.gz MJVCMSJDFYDNDF-UHFFFAOYSA-N 0 0 488.454 4.283 50 0 JIAARN Cc1c(=O)c2cccc(C(=O)N3CCN(Cc4cn5ccccc5n4)CC3)c2oc1-c1ccccc1 ZINC000009201230 554972152 /nfs/dbraw/zinc/97/21/52/554972152.db2.gz XYGVUOJMEKGIAY-UHFFFAOYSA-N 0 0 478.552 4.374 50 0 JIAARN CC[C@H](C)Nc1sc(S(=O)(=O)c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000009203234 554973527 /nfs/dbraw/zinc/97/35/27/554973527.db2.gz MVRXPHHJRIKURC-HNNXBMFYSA-N 0 0 450.607 4.328 50 0 JIAARN COc1cccc(NCc2nnc(SCc3nn4c(nc(C)cc4=O)s3)n2C2CCCCC2)c1 ZINC000009204737 554974645 /nfs/dbraw/zinc/97/46/45/554974645.db2.gz UKUYWMVHVYLYNB-UHFFFAOYSA-N 0 0 497.650 4.469 50 0 JIAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1=O ZINC000009205337 554974682 /nfs/dbraw/zinc/97/46/82/554974682.db2.gz DWJBXHGLHLKUIM-RUZDIDTESA-N 0 0 452.530 4.002 50 0 JIAARN C[C@H](c1nnc(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1-c1ccc(F)cc1)N(C)C ZINC000009205490 554974857 /nfs/dbraw/zinc/97/48/57/554974857.db2.gz VZXWLBJWOQBOSB-BBWFWOEESA-N 0 0 453.587 4.487 50 0 JIAARN CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)ccc1OCC(=O)N1CCCCC1 ZINC000009206013 554975255 /nfs/dbraw/zinc/97/52/55/554975255.db2.gz JCMPITFFJFKYSS-KDYSTLNUSA-N 0 0 493.604 4.222 50 0 JIAARN Cc1cccc(-n2c(SCC(=O)N(C)[C@H]3CCCc4ccccc43)nnc2N2CCOCC2)c1 ZINC000009206271 554975381 /nfs/dbraw/zinc/97/53/81/554975381.db2.gz ODUAWVFYOXOFKA-QHCPKHFHSA-N 0 0 477.634 4.040 50 0 JIAARN COc1cccc(-n2cnnc2SCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000009209127 554977585 /nfs/dbraw/zinc/97/75/85/554977585.db2.gz CBFZEIWKRTWXGR-NRFANRHFSA-N 0 0 454.552 4.474 50 0 JIAARN O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009216935 554985481 /nfs/dbraw/zinc/98/54/81/554985481.db2.gz CHTWSASTAZFKAJ-UHFFFAOYSA-N 0 0 460.578 4.168 50 0 JIAARN O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(=O)[nH]c1 ZINC000009217054 554985553 /nfs/dbraw/zinc/98/55/53/554985553.db2.gz GWDZYYUUPSEEHU-UHFFFAOYSA-N 0 0 486.981 4.072 50 0 JIAARN O=C(CSc1nnc(-c2cccnc2)n1C1CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000009217903 554986899 /nfs/dbraw/zinc/98/68/99/554986899.db2.gz IOXYPPDZWNAFKC-UHFFFAOYSA-N 0 0 486.483 4.005 50 0 JIAARN COc1ccc(CCN2C[C@@H](C(=O)Nc3c(-c4ccccc4)nc4ccc(C)cn43)CC2=O)cc1OC ZINC000009219739 554988498 /nfs/dbraw/zinc/98/84/98/554988498.db2.gz OQRKGXPZAFLMIZ-QFIPXVFZSA-N 0 0 498.583 4.357 50 0 JIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000009219775 554988523 /nfs/dbraw/zinc/98/85/23/554988523.db2.gz WHACUHQPUBGWJY-NRFANRHFSA-N 0 0 482.899 4.239 50 0 JIAARN Cc1ccccc1-n1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nnc1-c1cccnc1 ZINC000009220307 554989362 /nfs/dbraw/zinc/98/93/62/554989362.db2.gz FNIVBFBZTNYASS-SFHVURJKSA-N 0 0 484.585 4.494 50 0 JIAARN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)Cc3ccc(N4CCCC4=O)cc3)ccc2C)c1 ZINC000009220140 554989379 /nfs/dbraw/zinc/98/93/79/554989379.db2.gz OIYCGHVZTVAPEA-UHFFFAOYSA-N 0 0 477.586 4.412 50 0 JIAARN CC(C)Cc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)s1 ZINC000009223658 554993994 /nfs/dbraw/zinc/99/39/94/554993994.db2.gz ZRMCCXXWRKDJBO-UHFFFAOYSA-N 0 0 479.027 4.463 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cc(Cl)ccc2N2CCCC2)c1 ZINC000009224195 554995600 /nfs/dbraw/zinc/99/56/00/554995600.db2.gz XSKQXFTXAWTDBV-UHFFFAOYSA-N 0 0 477.030 4.043 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000009224197 554995607 /nfs/dbraw/zinc/99/56/07/554995607.db2.gz AAZSELHPOIRSEY-UHFFFAOYSA-N 0 0 475.920 4.462 50 0 JIAARN COc1ccc(-c2noc([C@@H]3CCCN3S(=O)(=O)c3ccc4ccccc4c3)n2)cc1OC ZINC000009227098 554999750 /nfs/dbraw/zinc/99/97/50/554999750.db2.gz DKXXOKMGQNIMCA-FQEVSTJZSA-N 0 0 465.531 4.433 50 0 JIAARN CCn1c(SCC(=O)N2CCc3cc(Br)ccc32)nnc1-c1ccccc1O ZINC000009227221 555000060 /nfs/dbraw/zinc/00/00/60/555000060.db2.gz HBUKAFSWGZRJET-UHFFFAOYSA-N 0 0 459.369 4.115 50 0 JIAARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCOCC3)cnn2-c2ccc(Cl)cc2)CC1 ZINC000009227818 555000995 /nfs/dbraw/zinc/00/09/95/555000995.db2.gz BONPKAMDUQWERB-UHFFFAOYSA-N 0 0 474.989 4.113 50 0 JIAARN O=C(Cn1c(=O)c(CNc2ccccc2)cc2cc3c(cc21)OCCO3)Nc1ccccc1F ZINC000009228305 555002203 /nfs/dbraw/zinc/00/22/03/555002203.db2.gz XIJBPMIHYCKWQP-UHFFFAOYSA-N 0 0 459.477 4.163 50 0 JIAARN CCc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OC)c(Br)c1 ZINC000009236335 555010247 /nfs/dbraw/zinc/01/02/47/555010247.db2.gz ICBKVLXTUMPFNZ-MOPGFXCFSA-N 0 0 488.411 4.318 50 0 JIAARN CCc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)c(Br)c1 ZINC000009236332 555010286 /nfs/dbraw/zinc/01/02/86/555010286.db2.gz ICBKVLXTUMPFNZ-OALUTQOASA-N 0 0 488.411 4.318 50 0 JIAARN Cc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(Br)c(C)c1)S2 ZINC000009237663 555012505 /nfs/dbraw/zinc/01/25/05/555012505.db2.gz UUJLNIHMSNXDLY-SJORKVTESA-N 0 0 462.348 4.194 50 0 JIAARN Cc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(Br)cc1C)S2 ZINC000009237598 555012565 /nfs/dbraw/zinc/01/25/65/555012565.db2.gz JFQNVDHFHWJSKR-SJORKVTESA-N 0 0 462.348 4.194 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccc(F)cc2)cc1 ZINC000009238412 555014747 /nfs/dbraw/zinc/01/47/47/555014747.db2.gz RVEQQJUXRMLQGO-LEWJYISDSA-N 0 0 461.522 4.491 50 0 JIAARN COc1cccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccc(F)cc2)c1 ZINC000009238401 555014768 /nfs/dbraw/zinc/01/47/68/555014768.db2.gz LHYRMLGCDCMHDZ-LEWJYISDSA-N 0 0 461.522 4.491 50 0 JIAARN 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CCn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1nc(C)cs1 ZINC000009303671 555077246 /nfs/dbraw/zinc/07/72/46/555077246.db2.gz ZJPIRHWYSSZSTN-GFCCVEGCSA-N 0 0 465.004 4.017 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)N[C@@H](CC(C)C)C(=O)N1CCCC1)CC2 ZINC000009306041 555078886 /nfs/dbraw/zinc/07/88/86/555078886.db2.gz YTVLZJXWAAZICA-JYFHCDHNSA-N 0 0 479.621 4.398 50 0 biogenic JIAARN CCCCOc1ccc(-n2c(N)c(C(=O)NC[C@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000009311148 555087477 /nfs/dbraw/zinc/08/74/77/555087477.db2.gz IWQLZVTXFOXPPU-LJQANCHMSA-N 0 0 459.550 4.244 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000009314330 555089727 /nfs/dbraw/zinc/08/97/27/555089727.db2.gz OCQNWLVTZCTNHC-UHFFFAOYSA-N 0 0 460.783 4.035 50 0 JIAARN C[C@@H]1CCCC[C@H]1n1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1cccnc1 ZINC000009317713 555093133 /nfs/dbraw/zinc/09/31/33/555093133.db2.gz BHSJRFVFIQKXCW-VQIMIIECSA-N 0 0 465.579 4.229 50 0 JIAARN C[C@H](Sc1nnc(COc2ccc3c(c2)CCCC3)n1C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009328875 555099667 /nfs/dbraw/zinc/09/96/67/555099667.db2.gz WJUBFMMDFIOYJX-HNNXBMFYSA-N 0 0 466.563 4.121 50 0 JIAARN CC[C@H](Sc1nnc(CC(=O)Nc2ccc(Cl)cc2)n1C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000009328862 555099740 /nfs/dbraw/zinc/09/97/40/555099740.db2.gz OAPAFPWQFCJKBU-IBGZPJMESA-N 0 0 485.997 4.362 50 0 JIAARN CCOC(=O)c1sc2nc(C)nc(NCc3ccc(S(=O)(=O)N4CCCCC4)s3)c2c1C ZINC000009335640 555103158 /nfs/dbraw/zinc/10/31/58/555103158.db2.gz ZMEVCWPXRHHFKF-UHFFFAOYSA-N 0 0 494.664 4.333 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000009335860 555103510 /nfs/dbraw/zinc/10/35/10/555103510.db2.gz JCXVGXJKAOUUHC-UYAOXDASSA-N 0 0 454.592 4.099 50 0 JIAARN COc1ccc(OCc2nnc(SCC(=O)N3CCCC[C@@H]3C)n2-c2ccccc2)cc1 ZINC000009336355 555103972 /nfs/dbraw/zinc/10/39/72/555103972.db2.gz OUQPJVFDILLBJO-SFHVURJKSA-N 0 0 452.580 4.348 50 0 JIAARN CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 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O=C(CSc1cn(CCNC(=O)c2ccc(Cl)cc2)c2ccccc12)NC[C@@H]1CCCO1 ZINC000009394800 555158235 /nfs/dbraw/zinc/15/82/35/555158235.db2.gz DTFPMEKYWRLAKZ-IBGZPJMESA-N 0 0 472.010 4.112 50 0 JIAARN Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)NCc3cccc(Br)c3)CC1)C[C@H](C)O2 ZINC000009405930 555165292 /nfs/dbraw/zinc/16/52/92/555165292.db2.gz XPRVUWXWHRNXAJ-KRWDZBQOSA-N 0 0 486.410 4.493 50 0 JIAARN CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000009406779 555167399 /nfs/dbraw/zinc/16/73/99/555167399.db2.gz YIJHVASWMJRDDD-UHFFFAOYSA-N 0 0 454.939 4.143 50 0 JIAARN O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)CC1 ZINC000009406876 555167792 /nfs/dbraw/zinc/16/77/92/555167792.db2.gz SZWLUHWRRIXIJE-UHFFFAOYSA-N 0 0 492.576 4.086 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@H]1c1cccs1 ZINC000009407061 555168291 /nfs/dbraw/zinc/16/82/91/555168291.db2.gz ACEQXUGVGQBFFQ-JWQCQUIFSA-N 0 0 493.604 4.163 50 0 JIAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(OCc3ccccc3)cc2)N1CCCO ZINC000009409195 555173601 /nfs/dbraw/zinc/17/36/01/555173601.db2.gz GOFGDOHIEDGNMX-AREMUKBSSA-N 0 0 455.514 4.289 50 0 JIAARN COc1cc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)ccc1OCc1ccccc1 ZINC000009410038 555175700 /nfs/dbraw/zinc/17/57/00/555175700.db2.gz HQXUXTUUGBWZGT-HXUWFJFHSA-N 0 0 453.498 4.499 50 0 JIAARN COc1cccc(C(=O)N(Cc2ccc(-c3ccc(Cl)cc3)o2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000009410229 555176158 /nfs/dbraw/zinc/17/61/58/555176158.db2.gz WSTKRGDQCIHFAX-LJQANCHMSA-N 0 0 459.951 4.438 50 0 JIAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CCn2ccccc2=O)n3C)c1 ZINC000009410848 555177832 /nfs/dbraw/zinc/17/78/32/555177832.db2.gz QHUVJDIYQXTIAY-UHFFFAOYSA-N 0 0 458.562 4.427 50 0 JIAARN O=S1(=O)C[C@@H]2N=C(SCc3c(Cl)cccc3Cl)N(c3ccc4c(c3)OCCO4)[C@@H]2C1 ZINC000009411116 555178321 /nfs/dbraw/zinc/17/83/21/555178321.db2.gz QILDFLSPSYZNRA-DLBZAZTESA-N 0 0 485.414 4.040 50 0 JIAARN CCOc1cc(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)C[S@](=O)C3)cc(OCC)c1OCC ZINC000009414030 555180915 /nfs/dbraw/zinc/18/09/15/555180915.db2.gz HPUYVHCEZSSWNY-DHUJRADRSA-N 0 0 499.589 4.092 50 0 JIAARN COc1ccc(CCNC(=O)CN2c3ccccc3S[C@H](c3ccco3)CC2=O)cc1OC ZINC000009414612 555181652 /nfs/dbraw/zinc/18/16/52/555181652.db2.gz WKQOHBCZMRGDHE-QHCPKHFHSA-N 0 0 466.559 4.226 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NCc1ccc(N2CCCC2=O)cc1 ZINC000009417335 555185083 /nfs/dbraw/zinc/18/50/83/555185083.db2.gz ALTOUTNYKOASKV-UHFFFAOYSA-N 0 0 483.597 4.470 50 0 JIAARN Cc1cc(C)cc(NC(=O)CC[C@@H]2NC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2=O)c1 ZINC000009419768 555186573 /nfs/dbraw/zinc/18/65/73/555186573.db2.gz JDMRDGZUJYPOAZ-NRFANRHFSA-N 0 0 452.942 4.320 50 0 JIAARN CC1(C)Cc2c3c(nc(-c4ccco4)c2CO1)sc1c3ncn(CC(=O)N2CCCCC2)c1=O ZINC000009420722 555187088 /nfs/dbraw/zinc/18/70/88/555187088.db2.gz BOXICRQLYYTKTP-UHFFFAOYSA-N 0 0 478.574 4.130 50 0 JIAARN COc1ccc(-c2coc3cc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)ccc3c2=O)cc1 ZINC000009423138 555188067 /nfs/dbraw/zinc/18/80/67/555188067.db2.gz XCFLHJHZOCWZQO-UHFFFAOYSA-N 0 0 488.515 4.335 50 0 JIAARN CC1(C)Cc2c3c(nc(-c4ccco4)c2CO1)sc1c3ncn(CC(=O)NCc2ccco2)c1=O ZINC000009423129 555188079 /nfs/dbraw/zinc/18/80/79/555188079.db2.gz KQLYUFIUUFGNGT-UHFFFAOYSA-N 0 0 490.541 4.027 50 0 JIAARN CCn1c(S[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)nnc1N1CCOCC1 ZINC000009429050 555195330 /nfs/dbraw/zinc/19/53/30/555195330.db2.gz ZMZJJPTWLSYRSQ-LBPRGKRZSA-N 0 0 474.637 4.014 50 0 JIAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(Cl)cc3C)cc2NC1=O ZINC000009429992 555197332 /nfs/dbraw/zinc/19/73/32/555197332.db2.gz TXJJNTNBKHAAFS-QGZVFWFLSA-N 0 0 452.985 4.274 50 0 JIAARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@@H](c2ccc(Cl)cc2)OCC3)c(=O)n(C)c1=O ZINC000009430092 555197476 /nfs/dbraw/zinc/19/74/76/555197476.db2.gz IJBTYQNEQDKBAH-OAQYLSRUSA-N 0 0 456.329 4.132 50 0 JIAARN Cc1ccsc1CN(C(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000009431284 555200048 /nfs/dbraw/zinc/20/00/48/555200048.db2.gz IRICYDOFTPFPID-IAGOWNOFSA-N 0 0 456.029 4.310 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccc(OC)cc2OC)[C@H]1c1cccs1 ZINC000009432839 555202426 /nfs/dbraw/zinc/20/24/26/555202426.db2.gz FZBDIFPDNFXUEH-JWQCQUIFSA-N 0 0 494.613 4.051 50 0 JIAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC3(CC2)OCCO3)[C@H]1c1cccs1 ZINC000009433015 555202825 /nfs/dbraw/zinc/20/28/25/555202825.db2.gz SCBOLWXFANGRFQ-FGZHOGPDSA-N 0 0 454.592 4.050 50 0 biogenic JIAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCC3(CC2)OCCO3)[C@@H]1c1cccs1 ZINC000009433018 555202857 /nfs/dbraw/zinc/20/28/57/555202857.db2.gz SCBOLWXFANGRFQ-VXKWHMMOSA-N 0 0 454.592 4.050 50 0 biogenic JIAARN COc1cc2c(cc1OC)n(CC(=O)c1ccc(Cl)cc1)c(=O)n(C1CCCCC1)c2=O ZINC000009435858 555207545 /nfs/dbraw/zinc/20/75/45/555207545.db2.gz DWXQVALGTISQDR-UHFFFAOYSA-N 0 0 456.926 4.222 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12 ZINC000009441874 555213015 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XWMOMNDILXXGNL-UHFFFAOYSA-N 0 0 481.603 4.305 50 0 JIAARN COc1ccc(NC(=O)c2cc3c(nc4ccc(C)cn4c3=O)n2Cc2ccccc2)c(OC)c1 ZINC000009447704 555220644 /nfs/dbraw/zinc/22/06/44/555220644.db2.gz FYYCZJDNVCMHFU-UHFFFAOYSA-N 0 0 468.513 4.275 50 0 JIAARN C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCCC2=O)c1)c1ccccc1 ZINC000009449867 555222559 /nfs/dbraw/zinc/22/25/59/555222559.db2.gz BLPTUOFASBJDNH-GOSISDBHSA-N 0 0 463.559 4.105 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](C)c1ccccc1Br ZINC000009455070 555225737 /nfs/dbraw/zinc/22/57/37/555225737.db2.gz OJQMTOSYGZJDFV-HNNXBMFYSA-N 0 0 451.386 4.033 50 0 JIAARN Cc1nc2cc(NC(=O)COc3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)ccc2o1 ZINC000009459899 555227498 /nfs/dbraw/zinc/22/74/98/555227498.db2.gz IFZBJRAHHLODNT-UHFFFAOYSA-N 0 0 465.531 4.287 50 0 JIAARN Cc1cccc(Oc2ccc(NC(=O)c3ccc(NC(=O)CSc4nnnn4C)cc3)cc2)c1 ZINC000009461711 555229817 /nfs/dbraw/zinc/22/98/17/555229817.db2.gz OJTLNQFCKMOUOT-UHFFFAOYSA-N 0 0 474.546 4.294 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000009462965 555232174 /nfs/dbraw/zinc/23/21/74/555232174.db2.gz MKPIPQFKSRMULY-QFIPXVFZSA-N 0 0 488.009 4.325 50 0 JIAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 ZINC000009463461 555233668 /nfs/dbraw/zinc/23/36/68/555233668.db2.gz CMVYTZUQNORLMP-SFHVURJKSA-N 0 0 497.617 4.472 50 0 JIAARN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000009464081 555235374 /nfs/dbraw/zinc/23/53/74/555235374.db2.gz CCKKAPZRJXIAKI-QHCPKHFHSA-N 0 0 466.969 4.265 50 0 JIAARN COc1ccc(OC)c(-c2csc(NC(=O)CSc3nncn3-c3ccccc3F)n2)c1 ZINC000009464383 555236298 /nfs/dbraw/zinc/23/62/98/555236298.db2.gz XKBVJIDEBZIHEM-UHFFFAOYSA-N 0 0 471.539 4.278 50 0 JIAARN C[C@H](Sc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)C(=O)N1CCc2ccccc21 ZINC000009464501 555236708 /nfs/dbraw/zinc/23/67/08/555236708.db2.gz NEYSMEQGLOWABV-INIZCTEOSA-N 0 0 471.604 4.072 50 0 JIAARN COC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)C(C)C)cc1 ZINC000009464641 555237224 /nfs/dbraw/zinc/23/72/24/555237224.db2.gz RMKMABWKBFNNNN-UHFFFAOYSA-N 0 0 460.552 4.035 50 0 JIAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)c1ccc(OC(F)F)cc1OC(F)F ZINC000009466761 555243158 /nfs/dbraw/zinc/24/31/58/555243158.db2.gz XJCUOOWRQPCBDJ-UHFFFAOYSA-N 0 0 451.756 4.173 50 0 JIAARN CC(=O)c1cc2c(cc1NC(=O)c1ccccc1CSc1nc3nc(C)cc(C)n3n1)OCO2 ZINC000009467795 555245733 /nfs/dbraw/zinc/24/57/33/555245733.db2.gz CGVJJGFOKYLXFS-UHFFFAOYSA-N 0 0 475.530 4.217 50 0 JIAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 ZINC000009468629 555248677 /nfs/dbraw/zinc/24/86/77/555248677.db2.gz WQLHSALOLICOSR-MRXNPFEDSA-N 0 0 497.024 4.377 50 0 JIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000009468693 555249162 /nfs/dbraw/zinc/24/91/62/555249162.db2.gz LVHMVKAONAYJQW-KRWDZBQOSA-N 0 0 470.558 4.185 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1c1ccc(F)cc1 ZINC000009469310 555251129 /nfs/dbraw/zinc/25/11/29/555251129.db2.gz YQZHZMSDEBLVMR-IERDGZPVSA-N 0 0 474.945 4.115 50 0 JIAARN O=C(NCCCn1cnc2ccccc21)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009469401 555251631 /nfs/dbraw/zinc/25/16/31/555251631.db2.gz VNXNECGYHLTROF-UHFFFAOYSA-N 0 0 495.004 4.261 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 ZINC000009469439 555251800 /nfs/dbraw/zinc/25/18/00/555251800.db2.gz FOLNXZXWAXGGPR-UHFFFAOYSA-N 0 0 466.003 4.150 50 0 JIAARN CCOC(=O)C1=C(CSc2nnc(-c3ccc(F)cc3)c3ccccc32)NC(=O)N[C@@H]1C ZINC000009476762 555257642 /nfs/dbraw/zinc/25/76/42/555257642.db2.gz YPUSBFKBEYAVFW-CYBMUJFWSA-N 0 0 452.511 4.047 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)c2)c(C)c1 ZINC000009477391 555258196 /nfs/dbraw/zinc/25/81/96/555258196.db2.gz GXKLYIFSRTXNMM-UHFFFAOYSA-N 0 0 497.661 4.359 50 0 JIAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cc2)C1 ZINC000009478183 555259917 /nfs/dbraw/zinc/25/99/17/555259917.db2.gz 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COc1ccc(OCC(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000019898462 555533852 /nfs/dbraw/zinc/53/38/52/555533852.db2.gz TZXCJRYFJSBKNL-QFIPXVFZSA-N 0 0 479.920 4.110 50 0 JIAARN CCC(=O)N(c1nnc(SCC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)s1)C1CC1 ZINC000009831872 555534716 /nfs/dbraw/zinc/53/47/16/555534716.db2.gz NOOPJDMCWCGGLE-UHFFFAOYSA-N 0 0 477.015 4.228 50 0 JIAARN Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)CN4C[C@@H](C)O[C@H](C)C4)ccc3c2=O)c1 ZINC000019912267 555538354 /nfs/dbraw/zinc/53/83/54/555538354.db2.gz HWWPDKXFKAZFQL-AQNXPRMDSA-N 0 0 453.535 4.051 50 0 JIAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1/C=C\c1ccccc1 ZINC000019912862 555538871 /nfs/dbraw/zinc/53/88/71/555538871.db2.gz JUUMWLVNGDSKAG-VAIFWUGMSA-N 0 0 485.392 4.380 50 0 JIAARN Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019924409 555540531 /nfs/dbraw/zinc/54/05/31/555540531.db2.gz VBOZSMNZAIGVFE-UHFFFAOYSA-N 0 0 466.559 4.023 50 0 JIAARN COc1cc2nc(SCC(=O)Nc3ccc(Cl)cc3F)n3nc(C)nc3c2cc1OC ZINC000009838725 555543218 /nfs/dbraw/zinc/54/32/18/555543218.db2.gz ZRHQHNSSBDLSKR-UHFFFAOYSA-N 0 0 461.906 4.126 50 0 JIAARN Cc1nc2nc(SCC(=O)NCc3cccs3)nn2c(C)c1Cc1ccccc1Cl ZINC000009841168 555544275 /nfs/dbraw/zinc/54/42/75/555544275.db2.gz FGDRSGNDCDTOSV-UHFFFAOYSA-N 0 0 458.012 4.455 50 0 JIAARN CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000009844797 555545130 /nfs/dbraw/zinc/54/51/30/555545130.db2.gz JJBQFARAWCOHSR-UHFFFAOYSA-N 0 0 491.569 4.080 50 0 JIAARN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 ZINC000009846624 555546475 /nfs/dbraw/zinc/54/64/75/555546475.db2.gz RCSGUVBELCNMLP-OEAKJJBVSA-N 0 0 459.477 4.245 50 0 JIAARN Cc1nn([C@@H](C)CCNC(=O)c2nc(Cn3c4ccccc4nc3C(F)(F)F)no2)c(C)c1Cl ZINC000013640621 555547276 /nfs/dbraw/zinc/54/72/76/555547276.db2.gz QFNUASBCPNKXRZ-NSHDSACASA-N 0 0 495.893 4.334 50 0 JIAARN Cc1cc(C(=O)CSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)c(C)n1Cc1ccco1 ZINC000009847295 555548258 /nfs/dbraw/zinc/54/82/58/555548258.db2.gz JWDANACDMDLBRU-UHFFFAOYSA-N 0 0 495.580 4.278 50 0 JIAARN C[C@H](c1nnc(SCC(=O)N(C)Cc2ccc(Cl)cc2)n1-c1ccc(F)cc1)N(C)C ZINC000009847530 555548783 /nfs/dbraw/zinc/54/87/83/555548783.db2.gz ZPURXSQYGYCOIQ-OAHLLOKOSA-N 0 0 461.994 4.433 50 0 JIAARN O=C(c1cc2nccc(-c3ccc4ccccc4c3)n2n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013644481 555549679 /nfs/dbraw/zinc/54/96/79/555549679.db2.gz LSJQBPSJUFWQPH-UHFFFAOYSA-N 0 0 491.551 4.236 50 0 JIAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000013648093 555552209 /nfs/dbraw/zinc/55/22/09/555552209.db2.gz ZCMRRNONLDUFPW-NJDAHSKKSA-N 0 0 465.303 4.206 50 0 JIAARN O=C(Cc1csc(SCC(=O)c2ccc3c(c2)OCO3)n1)NCc1ccc(Cl)cc1 ZINC000013654650 555554576 /nfs/dbraw/zinc/55/45/76/555554576.db2.gz WPHCYUIGGSMLRK-UHFFFAOYSA-N 0 0 460.964 4.359 50 0 JIAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@@H]1CCS(=O)(=O)C1)occ3-c1ccc(Cl)cc1 ZINC000013656283 555555304 /nfs/dbraw/zinc/55/53/04/555555304.db2.gz YHVAYLUYBXFDCU-QGZVFWFLSA-N 0 0 499.972 4.404 50 0 JIAARN Cc1ccc(OCC(=O)N2N=C(c3ccc(Br)cc3)C[C@]2(O)C(F)(F)F)cc1C ZINC000013659854 555555927 /nfs/dbraw/zinc/55/59/27/555555927.db2.gz JCXFOPSPPOVCLT-IBGZPJMESA-N 0 0 471.273 4.332 50 0 JIAARN COc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(C)ccc32)c1 ZINC000009857111 555558017 /nfs/dbraw/zinc/55/80/17/555558017.db2.gz SUZZZULUISUCPS-UHFFFAOYSA-N 0 0 476.554 4.098 50 0 JIAARN COc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3ccccc32)c1 ZINC000009857107 555558036 /nfs/dbraw/zinc/55/80/36/555558036.db2.gz YYVDNSIRQBIDGK-UHFFFAOYSA-N 0 0 482.945 4.135 50 0 JIAARN CCc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(OC)ccc32)cc1 ZINC000009857026 555558092 /nfs/dbraw/zinc/55/80/92/555558092.db2.gz OVNGFIIMDBQQDM-UHFFFAOYSA-N 0 0 490.581 4.352 50 0 JIAARN CCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc3c2=O)cc1 ZINC000009857247 555558362 /nfs/dbraw/zinc/55/83/62/555558362.db2.gz XHBYEPIPISFUPQ-UHFFFAOYSA-N 0 0 476.554 4.180 50 0 JIAARN CCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(OC)cc3)c3ccc(F)cc3c2=O)cc1 ZINC000009857339 555558645 /nfs/dbraw/zinc/55/86/45/555558645.db2.gz MPCDEWBWGAGXEV-UHFFFAOYSA-N 0 0 494.544 4.183 50 0 JIAARN COc1ccc(-c2nc(CC(=O)Nc3cccc(Cl)c3N3CCOCC3)cs2)cc1OC ZINC000009907097 555563863 /nfs/dbraw/zinc/56/38/63/555563863.db2.gz GCIXTNACTFUQPT-UHFFFAOYSA-N 0 0 473.982 4.499 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCn3ccc4ccccc43)cc2)cc1 ZINC000009971038 555568305 /nfs/dbraw/zinc/56/83/05/555568305.db2.gz PMLXCPCFIBFHQC-UHFFFAOYSA-N 0 0 475.570 4.465 50 0 JIAARN O=S(=O)(c1nnn2c3ccsc3c(NCCc3ccccc3)nc12)c1ccc(Cl)cc1 ZINC000009971165 555568884 /nfs/dbraw/zinc/56/88/84/555568884.db2.gz IQOUUEDGWNMQAT-UHFFFAOYSA-N 0 0 469.979 4.480 50 0 JIAARN CCOc1ccc2nc(N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)sc2c1 ZINC000009971440 555569412 /nfs/dbraw/zinc/56/94/12/555569412.db2.gz DUNHNSCUKJWEET-UHFFFAOYSA-N 0 0 450.608 4.260 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000019962163 555573344 /nfs/dbraw/zinc/57/33/44/555573344.db2.gz HEQYWABKTQFERS-DEOSSOPVSA-N 0 0 482.540 4.372 50 0 JIAARN COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccc(NC(C)=O)cc3)n3c4ccccc4nc32)cc1 ZINC000019962213 555573687 /nfs/dbraw/zinc/57/36/87/555573687.db2.gz QVMRQXDTYQAFMB-RUZDIDTESA-N 0 0 497.555 4.163 50 0 JIAARN CC(C)(C)OC(=O)NCC1CCC(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC000013685811 555579163 /nfs/dbraw/zinc/57/91/63/555579163.db2.gz SAZJSMWBOZPESK-UHFFFAOYSA-N 0 0 451.007 4.481 50 0 JIAARN CC[C@@H](C(=O)Nc1ccccc1C(=O)NC1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013686388 555579743 /nfs/dbraw/zinc/57/97/43/555579743.db2.gz QOSRWKDECPYMMZ-QFIPXVFZSA-N 0 0 475.586 4.072 50 0 JIAARN Cc1c2ccccc2oc1C(=O)N(Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009981885 555581883 /nfs/dbraw/zinc/58/18/83/555581883.db2.gz YXDHPFMCKFUHQN-UHFFFAOYSA-N 0 0 480.524 4.069 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1 ZINC000009985985 555584778 /nfs/dbraw/zinc/58/47/78/555584778.db2.gz YYLWPIIRKJPXKS-UHFFFAOYSA-N 0 0 492.903 4.185 50 0 JIAARN COC(=O)c1ccc(Oc2coc3c(ccc4c3CN(Cc3ccc5c(c3)OCO5)CO4)c2=O)cc1 ZINC000013691192 555585516 /nfs/dbraw/zinc/58/55/16/555585516.db2.gz GDOWHMJSZIMFNY-UHFFFAOYSA-N 0 0 487.464 4.453 50 0 biogenic JIAARN CCN(CC)C(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000010004081 555591073 /nfs/dbraw/zinc/59/10/73/555591073.db2.gz JNXXNNMVGQOQGH-STZFKDTASA-N 0 0 479.577 4.326 50 0 JIAARN Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)sc2ncnc(N3CCCC[C@@H]3C)c12 ZINC000010013275 555594308 /nfs/dbraw/zinc/59/43/08/555594308.db2.gz WZCOTAKLDLQOJN-INIZCTEOSA-N 0 0 453.587 4.480 50 0 JIAARN COCCN1COc2ccc3c(=O)c(Oc4ccc(OC)cc4)c(C(F)(F)F)oc3c2C1 ZINC000013720530 555596260 /nfs/dbraw/zinc/59/62/60/555596260.db2.gz UNAFKVBXBJJENZ-UHFFFAOYSA-N 0 0 451.397 4.411 50 0 biogenic JIAARN Cc1cccc(-c2nnc(SCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)n2Cc2ccco2)c1 ZINC000010022248 555597978 /nfs/dbraw/zinc/59/79/78/555597978.db2.gz NZKLVXFGCSXYBH-UHFFFAOYSA-N 0 0 475.574 4.434 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(S(=O)(=O)c1ccc(C(C)=O)cc1)CC2 ZINC000010025735 555599368 /nfs/dbraw/zinc/59/93/68/555599368.db2.gz BNXCNSKUJQGOIE-QHCPKHFHSA-N 0 0 457.573 4.304 50 0 JIAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 ZINC000010027216 555599931 /nfs/dbraw/zinc/59/99/31/555599931.db2.gz NXBULPQALAQTLE-OAQYLSRUSA-N 0 0 473.620 4.081 50 0 JIAARN CCCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1I)OCCO2 ZINC000010035047 555602243 /nfs/dbraw/zinc/60/22/43/555602243.db2.gz BRKIVNDXUXPDPN-UHFFFAOYSA-N 0 0 451.260 4.032 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@H]1c1ccccc1Cl ZINC000013739316 555606747 /nfs/dbraw/zinc/60/67/47/555606747.db2.gz UWJNTYRQNRNQGV-YWFITGJYSA-N 0 0 473.381 4.105 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000013739315 555606752 /nfs/dbraw/zinc/60/67/52/555606752.db2.gz UWJNTYRQNRNQGV-VOMPUTFMSA-N 0 0 473.381 4.105 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000013739319 555606767 /nfs/dbraw/zinc/60/67/67/555606767.db2.gz LWSKXYXFEXYDEA-VOMPUTFMSA-N 0 0 473.381 4.105 50 0 JIAARN CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3Br)CC2)cc1 ZINC000013746552 555607471 /nfs/dbraw/zinc/60/74/71/555607471.db2.gz QPDNBWFVVFVNBR-UHFFFAOYSA-N 0 0 480.428 4.330 50 0 JIAARN Cc1ccc(C(C)C)c(OC[C@H](O)CN2CCN(C[C@H](O)COc3cc(C)ccc3C(C)C)CC2)c1 ZINC000020034454 555609176 /nfs/dbraw/zinc/60/91/76/555609176.db2.gz TWIFJHYVLLDHQU-WMPKNSHKSA-N 0 0 498.708 4.347 50 0 biogenic JIAARN COc1ccc(OC)c(NC(=O)c2cc3c(n(-c4ccc(Cl)cc4)c2=O)CCCC3=O)c1 ZINC000020036372 555610911 /nfs/dbraw/zinc/61/09/11/555610911.db2.gz QQXURDTZBLBLSA-UHFFFAOYSA-N 0 0 452.894 4.279 50 0 JIAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000010060086 555612082 /nfs/dbraw/zinc/61/20/82/555612082.db2.gz LEKPXQALNUFSLH-LJQANCHMSA-N 0 0 459.428 4.242 50 0 JIAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000013765539 555613160 /nfs/dbraw/zinc/61/31/60/555613160.db2.gz VSKBVXIBSLBRKZ-KFVRLDSISA-N 0 0 493.799 4.368 50 0 JIAARN CCOC(=O)c1sc(NC(=O)CSc2nc(SC)ns2)nc1-c1ccccc1 ZINC000010060483 555613472 /nfs/dbraw/zinc/61/34/72/555613472.db2.gz YYIDCHQLMGZCQG-UHFFFAOYSA-N 0 0 452.608 4.291 50 0 JIAARN CCCCc1nc2sc3c(nc(SC)nc3N(C[C@@H](C)O)C[C@@H](C)O)c2c2c1CCC2 ZINC000013770361 555614359 /nfs/dbraw/zinc/61/43/59/555614359.db2.gz FBHHUEANEMSBFT-ZIAGYGMSSA-N 0 0 460.669 4.361 50 0 JIAARN Cc1cc(C(=O)COC(=O)CSCC(=O)Nc2ccc(C)cc2)c(C)n1CC(F)(F)F ZINC000010075275 555614822 /nfs/dbraw/zinc/61/48/22/555614822.db2.gz AFGPIDDDSQVNNV-UHFFFAOYSA-N 0 0 456.486 4.073 50 0 JIAARN CC(C)(C)c1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1 ZINC000013856738 555635123 /nfs/dbraw/zinc/63/51/23/555635123.db2.gz XUCAPFJCECBFGR-HNNXBMFYSA-N 0 0 491.371 4.210 50 0 JIAARN O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1ccc(Br)cc1 ZINC000010131919 555635866 /nfs/dbraw/zinc/63/58/66/555635866.db2.gz WDVKDIQMNDNGPB-UHFFFAOYSA-N 0 0 463.129 4.074 50 0 JIAARN CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000010144012 555636693 /nfs/dbraw/zinc/63/66/93/555636693.db2.gz OWGGBWZTCRSINB-LJQANCHMSA-N 0 0 488.997 4.276 50 0 JIAARN CCOc1ccc(NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013880756 555639082 /nfs/dbraw/zinc/63/90/82/555639082.db2.gz ITZXALNNNJSQLU-UHFFFAOYSA-N 0 0 456.539 4.362 50 0 JIAARN O=C(CNc1ccc(Br)c(C(F)(F)F)c1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000010169840 555639420 /nfs/dbraw/zinc/63/94/20/555639420.db2.gz MZLNJIQMCRLOLT-HNNXBMFYSA-N 0 0 491.329 4.100 50 0 JIAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1 ZINC000010186641 555640128 /nfs/dbraw/zinc/64/01/28/555640128.db2.gz HWRUQHYIBARRCP-UHFFFAOYSA-N 0 0 459.333 4.305 50 0 JIAARN CCOc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)nc21 ZINC000010186891 555640909 /nfs/dbraw/zinc/64/09/09/555640909.db2.gz PSLLJMZNLOLBSZ-UHFFFAOYSA-N 0 0 486.040 4.449 50 0 JIAARN Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N(C)C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000013895597 555642732 /nfs/dbraw/zinc/64/27/32/555642732.db2.gz KTOKAWAMJWNMKW-DVECYGJZSA-N 0 0 469.541 4.126 50 0 JIAARN CCOC(=O)CN(Cc1ccccc1)[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000020108134 555642762 /nfs/dbraw/zinc/64/27/62/555642762.db2.gz TVZXCDZHFBOAPJ-SANMLTNESA-N 0 0 460.530 4.203 50 0 JIAARN CN(c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013896674 555643879 /nfs/dbraw/zinc/64/38/79/555643879.db2.gz AMCHGSHJMDQEAO-UHFFFAOYSA-N 0 0 484.021 4.123 50 0 JIAARN COc1ccc(Br)cc1-c1nc(Cn2nnn(-c3ccccc3Cl)c2=O)cs1 ZINC000010198547 555645619 /nfs/dbraw/zinc/64/56/19/555645619.db2.gz ALSAHOPLJZLDPI-UHFFFAOYSA-N 0 0 478.759 4.025 50 0 JIAARN Cc1cc2nc(N(CCN(C)C)C(=O)CCCS(=O)(=O)c3ccccc3)sc2c(C)c1 ZINC000010218197 555650421 /nfs/dbraw/zinc/65/04/21/555650421.db2.gz UAZODMALVXCGJU-UHFFFAOYSA-N 0 0 459.637 4.062 50 0 JIAARN COc1ccc(S(=O)(=O)CC(=O)N(Cc2ccccn2)c2nc3c(s2)c(C)ccc3C)cc1 ZINC000010219434 555652671 /nfs/dbraw/zinc/65/26/71/555652671.db2.gz ODNUJADNYDXTSJ-UHFFFAOYSA-N 0 0 481.599 4.324 50 0 JIAARN O=C(Nc1ccc(Br)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000020116382 555653918 /nfs/dbraw/zinc/65/39/18/555653918.db2.gz FWORAFBSXVOKDY-KRWDZBQOSA-N 0 0 465.394 4.039 50 0 JIAARN COc1cc(-c2ccc(SCC(=O)NCc3ccccc3Cl)nn2)cc(OC)c1OC ZINC000010220846 555654376 /nfs/dbraw/zinc/65/43/76/555654376.db2.gz FRXIRSUPTQYYPQ-UHFFFAOYSA-N 0 0 459.955 4.231 50 0 JIAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)COc4ccc(Cl)cc4)s3)CC2=O)cc1C ZINC000013944428 555655866 /nfs/dbraw/zinc/65/58/66/555655866.db2.gz NIFQTBGIEREFDI-HNNXBMFYSA-N 0 0 456.955 4.346 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)cc1 ZINC000013944722 555656890 /nfs/dbraw/zinc/65/68/90/555656890.db2.gz FJPCBQDVUOFIJW-KRWDZBQOSA-N 0 0 453.926 4.028 50 0 JIAARN CCOc1cc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nnnn32)ccc1OC(F)F ZINC000020133506 555657939 /nfs/dbraw/zinc/65/79/39/555657939.db2.gz SPGXQHFNBUARJU-SFHVURJKSA-N 0 0 476.871 4.254 50 0 JIAARN 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Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000012569527 556072438 /nfs/dbraw/zinc/07/24/38/556072438.db2.gz MOMNRGNTKPTEGW-AWEZNQCLSA-N 0 0 460.991 4.315 50 0 JIAARN COC(=O)c1ccc(CNC(=O)CC[C@@]2(Cc3ccc(-c4ccccc4)cc3)CCC(=O)N2)cc1 ZINC000012570811 556073480 /nfs/dbraw/zinc/07/34/80/556073480.db2.gz VNQRYNUKTCTDSA-LJAQVGFWSA-N 0 0 470.569 4.428 50 0 JIAARN CCn1c2cc(NC(=O)c3ccc(OC)c(Br)c3)c(N3CCCC3)cc2n(CC)c1=O ZINC000015935577 556073447 /nfs/dbraw/zinc/07/34/47/556073447.db2.gz MNPRSQIEEDXFJJ-UHFFFAOYSA-N 0 0 487.398 4.466 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1OC ZINC000015942495 556077544 /nfs/dbraw/zinc/07/75/44/556077544.db2.gz RODZVWWWCFOMSG-UHFFFAOYSA-N 0 0 458.536 4.356 50 0 JIAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1I ZINC000023556420 556078207 /nfs/dbraw/zinc/07/82/07/556078207.db2.gz RZGXWXFIVMMLOW-UHFFFAOYSA-N 0 0 462.209 4.021 50 0 JIAARN Cc1noc(C)c1COc1ccc(CC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000023559327 556078450 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4.468 50 0 JIAARN O=C(Nc1ccccc1)Nc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000012735589 556105451 /nfs/dbraw/zinc/10/54/51/556105451.db2.gz FQAQMPNCLMDSMU-XMMPIXPASA-N 0 0 462.525 4.273 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2C)Cc2ccco2)cc1 ZINC000012737023 556106204 /nfs/dbraw/zinc/10/62/04/556106204.db2.gz GEEIMHQGXGEVBH-UHFFFAOYSA-N 0 0 497.617 4.417 50 0 JIAARN CC(=O)[C@@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N21 ZINC000016006904 556107587 /nfs/dbraw/zinc/10/75/87/556107587.db2.gz PHLSBOHMJKEABJ-XVOBZGQLSA-N 0 0 452.485 4.388 50 0 JIAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016011842 556110640 /nfs/dbraw/zinc/11/06/40/556110640.db2.gz YPJRDMQHTFIOQP-DDOIHHOZSA-N 0 0 490.774 4.386 50 0 JIAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cccnc1N1CCCC1 ZINC000012781197 556111569 /nfs/dbraw/zinc/11/15/69/556111569.db2.gz PCWYHGRKHWNCGS-UHFFFAOYSA-N 0 0 456.955 4.388 50 0 JIAARN 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ZINC000016037955 556120368 /nfs/dbraw/zinc/12/03/68/556120368.db2.gz RWYODHDVICUORP-NFGXINMFSA-N 0 0 492.531 4.171 50 0 JIAARN C[C@@H](c1nnc(SCC(=O)N(C)CCOc2ccc(Cl)cc2)n1-c1ccc(F)cc1)N(C)C ZINC000024143623 556123467 /nfs/dbraw/zinc/12/34/67/556123467.db2.gz XAGJBAUTMVZBOJ-INIZCTEOSA-N 0 0 492.020 4.312 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)N1CCC(c2ccccc2)=N1 ZINC000016044240 556124021 /nfs/dbraw/zinc/12/40/21/556124021.db2.gz SHPBZBIWWFXZMV-UHFFFAOYSA-N 0 0 476.508 4.393 50 0 JIAARN COc1cc2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)[nH]c2c(OC)c1 ZINC000012908192 556127190 /nfs/dbraw/zinc/12/71/90/556127190.db2.gz ARALZKOIXJRRLN-NSHDSACASA-N 0 0 452.385 4.268 50 0 JIAARN O=C(CSCc1ccc(Cl)s1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000024286493 556128482 /nfs/dbraw/zinc/12/84/82/556128482.db2.gz XWXLNKOJFZGSGB-UHFFFAOYSA-N 0 0 452.985 4.241 50 0 JIAARN CCOc1cc2c(cc1CNC(=O)c1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)O[C@@H](C)C2 ZINC000024317625 556129171 /nfs/dbraw/zinc/12/91/71/556129171.db2.gz CCOPUVIANZOTNT-INIZCTEOSA-N 0 0 493.025 4.167 50 0 JIAARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000024392724 556130605 /nfs/dbraw/zinc/13/06/05/556130605.db2.gz JWSTXORNRUFBMZ-HXUWFJFHSA-N 0 0 450.988 4.356 50 0 JIAARN COc1ccc(N2C(=O)CC[C@H](C(=O)OCc3cc(C)no3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000024421060 556130869 /nfs/dbraw/zinc/13/08/69/556130869.db2.gz DNVOLZXUSFBCQG-SQJMNOBHSA-N 0 0 480.517 4.237 50 0 JIAARN CS(=O)(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1 ZINC000016248300 556131019 /nfs/dbraw/zinc/13/10/19/556131019.db2.gz OWLPCAMZHIHWBQ-UHFFFAOYSA-N 0 0 467.827 4.321 50 0 JIAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000024572576 556136206 /nfs/dbraw/zinc/13/62/06/556136206.db2.gz WEUFBHXRGRYLGP-JOCHJYFZSA-N 0 0 486.616 4.403 50 0 JIAARN CN1C(=O)N(CC(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)C(=O)C12CCCCC2 ZINC000024592903 556137409 /nfs/dbraw/zinc/13/74/09/556137409.db2.gz CFEQWFSSXPTZHG-DHZHZOJOSA-N 0 0 489.572 4.101 50 0 JIAARN COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2cc(Br)ccc2OC)c1 ZINC000012918587 556137662 /nfs/dbraw/zinc/13/76/62/556137662.db2.gz XSJKWZBSBOGWMI-INIZCTEOSA-N 0 0 456.358 4.001 50 0 JIAARN COc1ccc(NC(=O)CCc2ccc(C)c(Cl)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000012919310 556138444 /nfs/dbraw/zinc/13/84/44/556138444.db2.gz XAXLOZUVWCYWSC-UHFFFAOYSA-N 0 0 450.988 4.403 50 0 JIAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000024605372 556138505 /nfs/dbraw/zinc/13/85/05/556138505.db2.gz CNYKJXIUMWUEFJ-UHFFFAOYSA-N 0 0 462.493 4.352 50 0 JIAARN CC(C)Oc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000024607234 556139103 /nfs/dbraw/zinc/13/91/03/556139103.db2.gz FULGOUQGSYVGNF-UHFFFAOYSA-N 0 0 450.988 4.308 50 0 JIAARN COc1cc(CN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C2CC2)ccc1OC(F)F ZINC000012922386 556141145 /nfs/dbraw/zinc/14/11/45/556141145.db2.gz SOYFVFGAPNARDQ-UHFFFAOYSA-N 0 0 479.423 4.395 50 0 JIAARN Cc1ccccc1CSCCNC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613430 556142002 /nfs/dbraw/zinc/14/20/02/556142002.db2.gz QHFDYSHHGKKJFM-UHFFFAOYSA-N 0 0 499.073 4.379 50 0 JIAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613394 556142008 /nfs/dbraw/zinc/14/20/08/556142008.db2.gz PRTHNDDOIQJVFK-QGZVFWFLSA-N 0 0 467.006 4.158 50 0 JIAARN COc1ccccc1Cc1nc2c(c(=O)[nH]1)CN(C(=O)Nc1c(Cl)cccc1Cl)CC2 ZINC000016531312 556142450 /nfs/dbraw/zinc/14/24/50/556142450.db2.gz WEOSPJOXOXDDRG-UHFFFAOYSA-N 0 0 459.333 4.266 50 0 JIAARN CCOc1cc2ccccc2cc1C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC000012924020 556142507 /nfs/dbraw/zinc/14/25/07/556142507.db2.gz VKLOBFCLNVKMJA-QHCPKHFHSA-N 0 0 464.562 4.059 50 0 JIAARN CCc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(c2cccc(C)c2)C1=O ZINC000016570907 556143410 /nfs/dbraw/zinc/14/34/10/556143410.db2.gz GXMFITSFHBCONM-UHFFFAOYSA-O 0 0 485.951 4.331 50 0 JIAARN C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1 ZINC000012926916 556145001 /nfs/dbraw/zinc/14/50/01/556145001.db2.gz DPYFOQFDHVTSDP-INIZCTEOSA-N 0 0 454.514 4.026 50 0 JIAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc2c(c1)OCCO2 ZINC000012926982 556145231 /nfs/dbraw/zinc/14/52/31/556145231.db2.gz CTAAZBODYWTLBC-HNNXBMFYSA-N 0 0 472.950 4.403 50 0 JIAARN O=C(N[C@@H]1CCSc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000012927020 556145260 /nfs/dbraw/zinc/14/52/60/556145260.db2.gz MPUZIJQSBMZRHT-HNAYVOBHSA-N 0 0 451.013 4.094 50 0 JIAARN CCOC(=O)Cc1nnc(SCC(=O)NCCc2ccc(C(C)C)cc2)n1Cc1ccccc1 ZINC000024716365 556147181 /nfs/dbraw/zinc/14/71/81/556147181.db2.gz CRXDLZMZKYZKPW-UHFFFAOYSA-N 0 0 480.634 4.006 50 0 JIAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(Cl)c(Cl)c1 ZINC000012930229 556147276 /nfs/dbraw/zinc/14/72/76/556147276.db2.gz LIPAHNAQRHWPBW-CQSZACIVSA-N 0 0 499.416 4.043 50 0 JIAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000024746554 556147985 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556266956 /nfs/dbraw/zinc/26/69/56/556266956.db2.gz CXIWVKIFVBQEGS-HNNXBMFYSA-N 0 0 474.380 4.444 50 0 JIAARN O=S(=O)(c1ccccc1)N1CCN(Cn2c3ccccc3n(-c3ccccc3)c2=S)CC1 ZINC000013070357 556267754 /nfs/dbraw/zinc/26/77/54/556267754.db2.gz MNYDJPKQKACNGG-UHFFFAOYSA-N 0 0 464.616 4.125 50 0 JIAARN COc1ccc(C(=O)N(C)Cc2cccc(Cl)c2Cl)cc1S(=O)(=O)N1CCCC1 ZINC000017917008 556271405 /nfs/dbraw/zinc/27/14/05/556271405.db2.gz FZKZWLATYAHCME-UHFFFAOYSA-N 0 0 457.379 4.059 50 0 JIAARN Cc1ccc(SCCC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1 ZINC000013072552 556271563 /nfs/dbraw/zinc/27/15/63/556271563.db2.gz ZQOQZPSEAUOLKO-UHFFFAOYSA-N 0 0 469.010 4.025 50 0 JIAARN CCNC(=O)/C(=C\c1ccc(OCCOc2ccccc2OC)cc1)NC(=O)c1ccc(C)cc1 ZINC000027023374 556271655 /nfs/dbraw/zinc/27/16/55/556271655.db2.gz WWTGQNGAVUCDIP-LYBHJNIJSA-N 0 0 474.557 4.368 50 0 JIAARN C[C@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)C(=O)c1c[nH]c2ccccc21 ZINC000017947974 556272109 /nfs/dbraw/zinc/27/21/09/556272109.db2.gz XOFNAIXYRGKGAW-HNNXBMFYSA-N 0 0 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CCCn1c(C)cc(-c2csc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)n2)c1C ZINC000013131953 556358537 /nfs/dbraw/zinc/35/85/37/556358537.db2.gz VWSNADXRHSBEDQ-QGZVFWFLSA-N 0 0 480.590 4.401 50 0 JIAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)c(CN3CCOCC3)c2)cc1 ZINC000019707583 556361139 /nfs/dbraw/zinc/36/11/39/556361139.db2.gz MCKMUGODDKDTJT-SANMLTNESA-N 0 0 459.546 4.307 50 0 JIAARN CC(C)[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@@H](C)C3)C(=O)NC(N)=O ZINC000013134179 556362117 /nfs/dbraw/zinc/36/21/17/556362117.db2.gz HRYNLAJGOGPTEE-XIKOKIGWSA-N 0 0 488.610 4.023 50 0 JIAARN COc1ccc(-c2ccnc3nc(N4CCC(Cc5ccccc5)CC4)[nH]c(=O)c23)cc1OC ZINC000030907123 556387729 /nfs/dbraw/zinc/38/77/29/556387729.db2.gz ULRYEIFHBDCFLW-UHFFFAOYSA-N 0 0 456.546 4.461 50 0 JIAARN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc4nsnc4c3)cc2)CC1 ZINC000030948410 556389442 /nfs/dbraw/zinc/38/94/42/556389442.db2.gz HYADYWZKWFIABJ-UHFFFAOYSA-N 0 0 457.559 4.214 50 0 JIAARN 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COC(=O)c1ccc2c(c1)nc(N1CCN(c3ccc(C(C)=O)cc3)CC1)n(-c1cccc(C)c1)c2=O ZINC000065306634 569672160 /nfs/dbraw/zinc/67/21/60/569672160.db2.gz FMNPNFAYPIHAPH-UHFFFAOYSA-N 0 0 496.567 4.010 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(N1CCN(c3cccc(C)c3)CC1)n(CCc1ccccc1)c2=O ZINC000065306590 569672183 /nfs/dbraw/zinc/67/21/83/569672183.db2.gz VKZGVTGPAUQRTG-UHFFFAOYSA-N 0 0 482.584 4.061 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3ccc(SCc4ccccc4)nn3)CC2)cc1OC ZINC000065314891 569672656 /nfs/dbraw/zinc/67/26/56/569672656.db2.gz URBPJIVHTCLAKY-UHFFFAOYSA-N 0 0 478.618 4.319 50 0 JIAARN COc1ccc(CC(=O)N(Cc2cc(-c3cc(OC)c(OC)c(OC)c3)on2)C[C@H]2CCCO2)cc1 ZINC000034922319 569672916 /nfs/dbraw/zinc/67/29/16/569672916.db2.gz KQIOQNZITADEMF-JOCHJYFZSA-N 0 0 496.560 4.126 50 0 JIAARN O=C(c1cnn2ccc(C3CCN(C(=O)c4c(F)cccc4Cl)CC3)cc12)N1CCCC1 ZINC000065315624 569672950 /nfs/dbraw/zinc/67/29/50/569672950.db2.gz YWWXMYOGFFZYIB-UHFFFAOYSA-N 0 0 454.933 4.383 50 0 JIAARN Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)N(Cc1ccco1)C1CCCC1 ZINC000065318986 569673413 /nfs/dbraw/zinc/67/34/13/569673413.db2.gz FGKPUOQYDNUDQT-UHFFFAOYSA-N 0 0 498.605 4.398 50 0 JIAARN Cc1cccc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCCCC4)n3)ccc2C)c1 ZINC000065319125 569673720 /nfs/dbraw/zinc/67/37/20/569673720.db2.gz MDWXEVXOZCYLEX-UHFFFAOYSA-N 0 0 454.552 4.170 50 0 JIAARN Cc1cccc(NC(=O)CSc2nc3nc(N4CCCCC4)sc3c(=O)n2C(C)C)c1 ZINC000065319575 569674079 /nfs/dbraw/zinc/67/40/79/569674079.db2.gz XLYUDYBVJVDTHD-UHFFFAOYSA-N 0 0 457.625 4.463 50 0 JIAARN CCCn1c(=O)c2sc(N3CCCCC3)nc2nc1SCC(=O)Nc1ccccc1OCC ZINC000065319535 569674099 /nfs/dbraw/zinc/67/40/99/569674099.db2.gz FUPWYNJWTZQXHX-UHFFFAOYSA-N 0 0 487.651 4.383 50 0 JIAARN CCn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1cccc(Cl)c1C ZINC000065319952 569674315 /nfs/dbraw/zinc/67/43/15/569674315.db2.gz FFVRHWUCWSZNDN-UHFFFAOYSA-N 0 0 464.016 4.166 50 0 JIAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nnc(-c4ccncc4)n3CC(F)(F)F)ccc21 ZINC000065562855 569675942 /nfs/dbraw/zinc/67/59/42/569675942.db2.gz NTEOXPPKPIMHHC-ZDUSSCGKSA-N 0 0 475.496 4.175 50 0 JIAARN CCOCCN(C[C@H](C)C(=O)OC)C(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C ZINC000065609011 569676358 /nfs/dbraw/zinc/67/63/58/569676358.db2.gz LVRWBCFVYSIHPE-IBGZPJMESA-N 0 0 466.582 4.275 50 0 JIAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2)n3C)cc1OC ZINC000035170856 569677392 /nfs/dbraw/zinc/67/73/92/569677392.db2.gz NNOULMDUIMVTEE-SFHVURJKSA-N 0 0 465.575 4.344 50 0 JIAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000035181080 569677670 /nfs/dbraw/zinc/67/76/70/569677670.db2.gz VVQXFFQMCAHXPM-UHFFFAOYSA-N 0 0 461.493 4.317 50 0 JIAARN O=C(Cn1nc(-c2cccc(Br)c2)ccc1=O)Nc1ccc(Br)cc1F ZINC000067205738 569678076 /nfs/dbraw/zinc/67/80/76/569678076.db2.gz KHUFQCVBBVWDBZ-UHFFFAOYSA-N 0 0 481.119 4.213 50 0 JIAARN COc1ccccc1CNC(=O)Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000067207953 569678517 /nfs/dbraw/zinc/67/85/17/569678517.db2.gz RFRAFCOLYSWSFA-UHFFFAOYSA-N 0 0 472.423 4.429 50 0 JIAARN CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCc3ccccc3)cc1)C(C(=O)OC)=C(C)N2 ZINC000035227773 569678583 /nfs/dbraw/zinc/67/85/83/569678583.db2.gz NOZHSCCJFCXVIV-HXUWFJFHSA-N 0 0 463.559 4.465 50 0 JIAARN O=C(Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O)Nc1cccc(Br)c1 ZINC000067208529 569678655 /nfs/dbraw/zinc/67/86/55/569678655.db2.gz MGDURKUTEZNFMT-UHFFFAOYSA-N 0 0 474.318 4.112 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1OC ZINC000067216289 569678909 /nfs/dbraw/zinc/67/89/09/569678909.db2.gz OQXFCWWHWFLAFE-UHFFFAOYSA-N 0 0 495.582 4.363 50 0 JIAARN COc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)ccc2C)cc1OC ZINC000067217058 569679313 /nfs/dbraw/zinc/67/93/13/569679313.db2.gz LMDGWKVDPMEOTP-UHFFFAOYSA-N 0 0 495.626 4.490 50 0 JIAARN CN(Cc1ccccc1)c1nc2ncn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2s1 ZINC000067225692 569680892 /nfs/dbraw/zinc/68/08/92/569680892.db2.gz DODYDMIPJAVBJB-UHFFFAOYSA-N 0 0 473.480 4.147 50 0 JIAARN Cc1c(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c(=O)n(-c2ccccc2)n1C ZINC000035338675 569681322 /nfs/dbraw/zinc/68/13/22/569681322.db2.gz OYLXJWQFHVXAKJ-QHCPKHFHSA-N 0 0 464.616 4.194 50 0 JIAARN Cc1cc2nc(SCC(=O)NCCc3ccc(Cl)cc3)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237135 569681469 /nfs/dbraw/zinc/68/14/69/569681469.db2.gz BBDJBRFCMFPNSL-UHFFFAOYSA-N 0 0 466.994 4.435 50 0 JIAARN CCOc1ccc2sc(NC(=O)CSc3nc4cc(C)[nH]c4c(=O)n3Cc3ccco3)nc2c1 ZINC000067236595 569681497 /nfs/dbraw/zinc/68/14/97/569681497.db2.gz ACGFWBVUQOQBOQ-UHFFFAOYSA-N 0 0 495.586 4.414 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000067237288 569681560 /nfs/dbraw/zinc/68/15/60/569681560.db2.gz CEKXZKYLQFGTDP-UHFFFAOYSA-N 0 0 452.511 4.291 50 0 JIAARN CC[C@H](C)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl ZINC000035355254 569682061 /nfs/dbraw/zinc/68/20/61/569682061.db2.gz FUSXQKZFZZJCNM-KRWDZBQOSA-N 0 0 464.031 4.432 50 0 JIAARN COc1ccc(CNC(=O)CCn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)cc1OC ZINC000067260976 569682698 /nfs/dbraw/zinc/68/26/98/569682698.db2.gz IFUCPKDXUVWSNB-UHFFFAOYSA-N 0 0 474.561 4.010 50 0 JIAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(S(=O)(=O)c1ccc(OC)cc1)CC2 ZINC000035372142 569682991 /nfs/dbraw/zinc/68/29/91/569682991.db2.gz MPRKXVNMCWICQZ-UHFFFAOYSA-N 0 0 451.592 4.314 50 0 biogenic JIAARN COc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3c(n2)sc2c3CCCC2)cc1 ZINC000035372113 569683004 /nfs/dbraw/zinc/68/30/04/569683004.db2.gz JBBPNPJYGJIXEP-UHFFFAOYSA-N 0 0 461.543 4.475 50 0 JIAARN CCN(CCCNC(=O)CCCn1c2ccccc2c2cnn(C)c(=O)c21)c1cccc(C)c1 ZINC000035372377 569683127 /nfs/dbraw/zinc/68/31/27/569683127.db2.gz MMFRLNPBWDUKGC-UHFFFAOYSA-N 0 0 459.594 4.010 50 0 JIAARN Cn1c2c(c(-c3ccc(Br)cc3)n3c2[C@H](c2ccccc2)OCC3(C)C)c(=O)n(C)c1=O ZINC000035373254 569683670 /nfs/dbraw/zinc/68/36/70/569683670.db2.gz TUSVJIGQEDJBLC-QFIPXVFZSA-N 0 0 494.389 4.323 50 0 JIAARN Cn1c2c(c(-c3ccc(Br)cc3)n3c2[C@@H](/C=C/c2ccccc2)OCC3)c(=O)n(C)c1=O ZINC000035373260 569683698 /nfs/dbraw/zinc/68/36/98/569683698.db2.gz CFOWUBCVBFJWKO-BNOPAZPUSA-N 0 0 492.373 4.253 50 0 JIAARN Cc1cccc(NC(=O)Cn2cc(-c3nc(-c4cccc(Br)c4)no3)ccc2=O)c1 ZINC000067289068 569684920 /nfs/dbraw/zinc/68/49/20/569684920.db2.gz NDAOQUVTOBMOJO-UHFFFAOYSA-N 0 0 465.307 4.275 50 0 JIAARN CC(=O)c1cccc(NC(=O)Cn2cc(-c3nc(-c4cccc(Br)c4)no3)ccc2=O)c1 ZINC000067289113 569684962 /nfs/dbraw/zinc/68/49/62/569684962.db2.gz CLFAGUWCZFTQFW-UHFFFAOYSA-N 0 0 493.317 4.169 50 0 JIAARN CCOc1ccccc1NC(=O)CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc(F)cc1)CC2 ZINC000067291527 569685586 /nfs/dbraw/zinc/68/55/86/569685586.db2.gz XBWVQUZORJDTRY-UHFFFAOYSA-N 0 0 468.554 4.009 50 0 JIAARN COc1ccccc1CN1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3F)[nH]c(=O)c2C1 ZINC000067291333 569685690 /nfs/dbraw/zinc/68/56/90/569685690.db2.gz ITSFHOMDJCEDDQ-UHFFFAOYSA-N 0 0 488.972 4.272 50 0 JIAARN CN(C(=O)CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc(F)cc1)CC2)c1cccc(Cl)c1 ZINC000067291643 569685847 /nfs/dbraw/zinc/68/58/47/569685847.db2.gz GUZNKFADFZPRJJ-UHFFFAOYSA-N 0 0 472.973 4.288 50 0 JIAARN Cc1cc2nc(COc3cc(Cl)ccc3NC(=O)COc3ccc(C)cc3C)cc(=O)n2o1 ZINC000035378633 569686002 /nfs/dbraw/zinc/68/60/02/569686002.db2.gz RBXRWXGLBNENLY-UHFFFAOYSA-N 0 0 467.909 4.463 50 0 JIAARN CCOC(=O)c1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000067292881 569686176 /nfs/dbraw/zinc/68/61/76/569686176.db2.gz YTKDFRYFJDBNQF-MKNVGELUSA-N 0 0 454.910 4.404 50 0 JIAARN CCc1ccc(NC(=O)Cn2c(=O)cc(-c3nc(-c4ccncc4)no3)c3ccccc32)cc1 ZINC000067318047 569686829 /nfs/dbraw/zinc/68/68/29/569686829.db2.gz JCHXLFBZNLKTKB-UHFFFAOYSA-N 0 0 451.486 4.315 50 0 JIAARN Cc1c(C(=O)Nc2cc(Cl)ccc2C)nnn1CC(=O)Nc1ccc(Br)cc1 ZINC000067322602 569687304 /nfs/dbraw/zinc/68/73/04/569687304.db2.gz CHGUDNDSEUKMDT-UHFFFAOYSA-N 0 0 462.735 4.202 50 0 JIAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)nnn1CC(=O)Nc1ccccc1Br ZINC000067322406 569687338 /nfs/dbraw/zinc/68/73/38/569687338.db2.gz RJZGSPPQRWOZOX-UHFFFAOYSA-N 0 0 462.735 4.202 50 0 JIAARN CCOC(=O)C1=C(CN2CCN(c3ccc(C)cc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000035395570 569687400 /nfs/dbraw/zinc/68/74/00/569687400.db2.gz WNEDYCFARSSFRV-RLWLMLJZSA-N 0 0 476.621 4.109 50 0 JIAARN CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(C(C)C)cc4)C3)c(C)cc2NC1=O ZINC000035396652 569687539 /nfs/dbraw/zinc/68/75/39/569687539.db2.gz YGTXYGCBRSYDPS-UGKGYDQZSA-N 0 0 499.633 4.267 50 0 JIAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)cc1C ZINC000035396796 569687630 /nfs/dbraw/zinc/68/76/30/569687630.db2.gz UHWGRIKTNUKKBL-UHFFFAOYSA-N 0 0 456.539 4.001 50 0 JIAARN COc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4OC)n3)c2C)cc1Cl ZINC000067341363 569688354 /nfs/dbraw/zinc/68/83/54/569688354.db2.gz CWIZJCVBHSJIGD-UHFFFAOYSA-N 0 0 456.915 4.017 50 0 JIAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(N5CCOCC5)cc4)C3)nn2)cc1 ZINC000035398109 569688881 /nfs/dbraw/zinc/68/88/81/569688881.db2.gz ILGNSCPRVYZEQE-JOCHJYFZSA-N 0 0 457.578 4.144 50 0 JIAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2ccc(Nc3cccc(C)n3)nn2)CC1 ZINC000067622721 569688902 /nfs/dbraw/zinc/68/89/02/569688902.db2.gz CIKGTSCKYJJGED-UHFFFAOYSA-N 0 0 471.590 4.318 50 0 JIAARN CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(F)ccc3Cl)c2=O)c1 ZINC000067673538 569688904 /nfs/dbraw/zinc/68/89/04/569688904.db2.gz DFDLSKOMVQHTOO-UHFFFAOYSA-N 0 0 487.940 4.103 50 0 JIAARN O=C(Cn1c2ccccc2c2ncn(Cc3ccccc3)c(=O)c21)NCc1ccccc1Cl ZINC000035399636 569689849 /nfs/dbraw/zinc/68/98/49/569689849.db2.gz AIDKNWWQOUMBEK-UHFFFAOYSA-N 0 0 456.933 4.369 50 0 JIAARN C[C@@H]1CCCN(C(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)C1 ZINC000035399925 569690341 /nfs/dbraw/zinc/69/03/41/569690341.db2.gz VIEPZFBJLYRWOG-MRXNPFEDSA-N 0 0 466.944 4.451 50 0 JIAARN COc1ccccc1Cn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2ccsc2c1=O ZINC000067689823 569690363 /nfs/dbraw/zinc/69/03/63/569690363.db2.gz PXOMKYQDTFULBZ-UHFFFAOYSA-N 0 0 479.583 4.448 50 0 JIAARN COc1cccc(Cn2c(SCC(=O)Nc3cc(OC)ccc3OC)nc3ccsc3c2=O)c1 ZINC000067689933 569690517 /nfs/dbraw/zinc/69/05/17/569690517.db2.gz KTNMBUVVQBKUGF-UHFFFAOYSA-N 0 0 497.598 4.263 50 0 JIAARN Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1C ZINC000067695005 569690873 /nfs/dbraw/zinc/69/08/73/569690873.db2.gz GCGSDMZTOVDLAC-UHFFFAOYSA-N 0 0 498.402 4.291 50 0 JIAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000068713129 569691647 /nfs/dbraw/zinc/69/16/47/569691647.db2.gz CJEIXNKBVVKDMU-RUZDIDTESA-N 0 0 451.906 4.365 50 0 JIAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1OC ZINC000068713081 569691648 /nfs/dbraw/zinc/69/16/48/569691648.db2.gz UDBKPBGJXXVPJI-VWLOTQADSA-N 0 0 451.906 4.365 50 0 JIAARN CCCCN1C(=O)C[C@@H](C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)[C@@H]1c1ccc(OC)cc1 ZINC000068710722 569691655 /nfs/dbraw/zinc/69/16/55/569691655.db2.gz UCALTGYVCZYRGD-KCWPFWIISA-N 0 0 499.602 4.444 50 0 JIAARN O=S(=O)(NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000068737986 569691884 /nfs/dbraw/zinc/69/18/84/569691884.db2.gz ZUCXFONWSZXJKS-UHFFFAOYSA-N 0 0 494.514 4.045 50 0 JIAARN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000069433862 569693019 /nfs/dbraw/zinc/69/30/19/569693019.db2.gz AZOHCPWKMBRGQO-UHFFFAOYSA-N 0 0 497.338 4.481 50 0 JIAARN O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000069929104 569693882 /nfs/dbraw/zinc/69/38/82/569693882.db2.gz ZJFJBXOGYOHXQQ-HXUWFJFHSA-N 0 0 464.516 4.110 50 0 JIAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(C(C)C)cc1)C(=O)[C@@H]1CCCCN21 ZINC000035428494 569694575 /nfs/dbraw/zinc/69/45/75/569694575.db2.gz OQVDZYXWDDGXFV-VWLOTQADSA-N 0 0 490.648 4.314 50 0 JIAARN COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000070459636 569695225 /nfs/dbraw/zinc/69/52/25/569695225.db2.gz LPUYDLXQQMWRLR-JOCHJYFZSA-N 0 0 486.391 4.461 50 0 JIAARN CCOC(=O)C[C@@H](c1ccc(-c2ccc(Cl)cc2Cl)o1)c1oc(CO)cc(=O)c1O ZINC000071282013 569696014 /nfs/dbraw/zinc/69/60/14/569696014.db2.gz PWMQMTZOXVRHJA-AWEZNQCLSA-N 0 0 453.274 4.490 50 0 JIAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C)cc1C)C(=O)[C@@H]1CCCCN21 ZINC000035445683 569695633 /nfs/dbraw/zinc/69/56/33/569695633.db2.gz WYSBBGNINRHGTL-QHCPKHFHSA-N 0 0 462.594 4.130 50 0 JIAARN CCc1ccc(NC(=O)CN2c3cc(C(=O)N(CC)CC)ccc3N3CCCC[C@@H]3C2=O)cc1 ZINC000035445639 569695671 /nfs/dbraw/zinc/69/56/71/569695671.db2.gz OFIHNLZHIUOTLZ-HSZRJFAPSA-N 0 0 462.594 4.075 50 0 JIAARN CCOC(=O)Cc1ccc(NC(=O)N2CCCN(c3nc4cc(F)ccc4n4cccc34)CC2)cc1 ZINC000035447763 569696170 /nfs/dbraw/zinc/69/61/70/569696170.db2.gz NLHNMNKLUJURMM-UHFFFAOYSA-N 0 0 489.551 4.476 50 0 JIAARN COc1cc(C(=O)NCCc2sc3nc(-c4ccc(Cl)cc4)nn3c2C)cc(OC)c1OC ZINC000035449239 569696595 /nfs/dbraw/zinc/69/65/95/569696595.db2.gz DHKMPCXZYACJFF-UHFFFAOYSA-N 0 0 486.981 4.418 50 0 JIAARN CC(C)c1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(N)=O)cc2)cc1 ZINC000071328659 569697083 /nfs/dbraw/zinc/69/70/83/569697083.db2.gz RGWAZOZPZCDQNM-QFIPXVFZSA-N 0 0 476.554 4.240 50 0 JIAARN CCc1ccc(CNC(=O)c2cn(-c3ncccc3-c3nc(-c4ccccc4)no3)cn2)cc1 ZINC000071768577 569697625 /nfs/dbraw/zinc/69/76/25/569697625.db2.gz UPKWDOHSMMVPCA-UHFFFAOYSA-N 0 0 450.502 4.477 50 0 JIAARN Cc1c(C(=O)NCc2ccc(F)cc2Cl)cnn1-c1ccc(-c2nc(C(C)C)no2)cn1 ZINC000071768691 569697687 /nfs/dbraw/zinc/69/76/87/569697687.db2.gz TVSIPIGBSNNMAC-UHFFFAOYSA-N 0 0 454.893 4.472 50 0 JIAARN O=C(c1ccc(F)cc1)N1CCc2cc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)ccc21 ZINC000035510623 569698226 /nfs/dbraw/zinc/69/82/26/569698226.db2.gz MTJROHOZMXQTGS-UHFFFAOYSA-N 0 0 462.905 4.300 50 0 JIAARN C[C@H](C(=O)N1CCN(c2ccccn2)CC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035512043 569698516 /nfs/dbraw/zinc/69/85/16/569698516.db2.gz OFMDAEGCEHEKPG-SFHVURJKSA-N 0 0 480.012 4.053 50 0 JIAARN O=C(NC[C@@H]1CCCO1)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000035526981 569698942 /nfs/dbraw/zinc/69/89/42/569698942.db2.gz MTBOHHKJWHICEO-IBGZPJMESA-N 0 0 487.965 4.237 50 0 JIAARN Cc1nnc(SCc2c3ccccc3oc2C(=O)Nc2ccnn2C[C@@H]2CCOC2)s1 ZINC000071849958 569699037 /nfs/dbraw/zinc/69/90/37/569699037.db2.gz SVPYGUBRRINSKL-AWEZNQCLSA-N 0 0 455.565 4.370 50 0 JIAARN COc1ccc(CCC(=O)N2CCCN(C(=O)c3ccc(-n4nc(C)c(Cl)c4C)cc3)CC2)cc1 ZINC000071853440 569699044 /nfs/dbraw/zinc/69/90/44/569699044.db2.gz IEDCIMPFOCYSEZ-UHFFFAOYSA-N 0 0 495.023 4.458 50 0 JIAARN CCOc1ccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2cccc(OC)c2)cc1 ZINC000035527385 569699203 /nfs/dbraw/zinc/69/92/03/569699203.db2.gz ZTLVRPJOHSPQIY-NDEPHWFRSA-N 0 0 458.558 4.368 50 0 JIAARN O=c1c2sccc2n2c(SCc3ccc(F)cc3Cl)nnc2n1C[C@@H]1CCCO1 ZINC000035528258 569699630 /nfs/dbraw/zinc/69/96/30/569699630.db2.gz YGETZXVNGADTOJ-ZDUSSCGKSA-N 0 0 450.948 4.370 50 0 JIAARN Cc1ccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3Cc2ccccc2)cc1 ZINC000035532084 569700578 /nfs/dbraw/zinc/70/05/78/569700578.db2.gz LSLGQQRMZZRCNB-UHFFFAOYSA-N 0 0 461.572 4.193 50 0 JIAARN CCCCn1c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2c2ccsc2c1=O ZINC000035531964 569700594 /nfs/dbraw/zinc/70/05/94/569700594.db2.gz VNDJDISJJUBJQS-UHFFFAOYSA-N 0 0 492.424 4.399 50 0 JIAARN Cc1cccc(N2C[C@@H](C(=O)Nc3cccc(NC(=O)NCc4ccncc4)c3)CC2=O)c1C ZINC000072232420 569700986 /nfs/dbraw/zinc/70/09/86/569700986.db2.gz OECLXBRNQZGDCV-FQEVSTJZSA-N 0 0 457.534 4.012 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)CSc1ncnc2nc(N3CCSCC3)sc21 ZINC000035532999 569700991 /nfs/dbraw/zinc/70/09/91/569700991.db2.gz KNKDEKFNTIAQSZ-UHFFFAOYSA-N 0 0 452.030 4.332 50 0 JIAARN Cc1ccc2c(c1)N(C(=O)CSc1ncnc3nc(N4CCC(C)CC4)sc31)CCO2 ZINC000035533359 569701011 /nfs/dbraw/zinc/70/10/11/569701011.db2.gz BQZPPRUIFMOEMD-UHFFFAOYSA-N 0 0 455.609 4.149 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)c1 ZINC000035533278 569701025 /nfs/dbraw/zinc/70/10/25/569701025.db2.gz QOEPNKBUIGGUAO-UHFFFAOYSA-N 0 0 459.597 4.071 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)c1 ZINC000035533261 569701026 /nfs/dbraw/zinc/70/10/26/569701026.db2.gz PLQVUJZHDGTPJY-UHFFFAOYSA-N 0 0 471.608 4.230 50 0 JIAARN COc1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)c(OC)c1 ZINC000035533524 569701118 /nfs/dbraw/zinc/70/11/18/569701118.db2.gz MIPCDKBRTKYANW-ZDUSSCGKSA-N 0 0 459.597 4.071 50 0 JIAARN C[C@H]1CCCN(c2nc3ncnc(SCC(=O)NCCc4ccc(Cl)cc4)c3s2)C1 ZINC000035533672 569701128 /nfs/dbraw/zinc/70/11/28/569701128.db2.gz WLQUQNGFTWHTCS-AWEZNQCLSA-N 0 0 462.044 4.427 50 0 JIAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(Br)cc1 ZINC000035535044 569701668 /nfs/dbraw/zinc/70/16/68/569701668.db2.gz DZHSPPIYXNFJEI-UHFFFAOYSA-N 0 0 492.329 4.037 50 0 JIAARN O=C(Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Cl)ccc21)Nc1ccc(F)cc1F ZINC000035535288 569701840 /nfs/dbraw/zinc/70/18/40/569701840.db2.gz FAUCSHORSQEZKR-UHFFFAOYSA-N 0 0 453.832 4.198 50 0 JIAARN Cc1cccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Br)ccc32)c1 ZINC000035535317 569701876 /nfs/dbraw/zinc/70/18/76/569701876.db2.gz IXFAQAASMNDRFH-UHFFFAOYSA-N 0 0 476.330 4.337 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CNC(=O)CCC1CCCC1)CC2 ZINC000072282662 569701890 /nfs/dbraw/zinc/70/18/90/569701890.db2.gz LDAMZPCGXNYCIR-RUZDIDTESA-N 0 0 456.608 4.326 50 0 JIAARN COc1ccc(S(=O)(=O)N2N=C(c3cccs3)C[C@H]2c2cccc3nccnc32)cc1 ZINC000072314656 569702035 /nfs/dbraw/zinc/70/20/35/569702035.db2.gz MUFYNCDFPZKLKJ-FQEVSTJZSA-N 0 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Cn1nc(-c2ccccc2)cc1C(=O)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000077190978 569704944 /nfs/dbraw/zinc/70/49/44/569704944.db2.gz SFCHRUWJPAETEL-UHFFFAOYSA-N 0 0 453.424 4.396 50 0 JIAARN Cc1cc(C)n(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)c1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000035592661 569705268 /nfs/dbraw/zinc/70/52/68/569705268.db2.gz UYRRGGYSEDKFRF-UHFFFAOYSA-N 0 0 492.919 4.245 50 0 JIAARN Cc1cc(C)n(CCN(C(=O)c2ccccc2S(C)(=O)=O)c2nc3c(cc(F)cc3F)s2)n1 ZINC000035597620 569705446 /nfs/dbraw/zinc/70/54/46/569705446.db2.gz HUDBBWMMOFADFX-UHFFFAOYSA-N 0 0 490.557 4.138 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccccc2)cc1 ZINC000035681152 569706676 /nfs/dbraw/zinc/70/66/76/569706676.db2.gz WUPNESHBXJIFRO-ATVHPVEESA-N 0 0 451.573 4.038 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000079112223 569706873 /nfs/dbraw/zinc/70/68/73/569706873.db2.gz CWIJTYMAJPTYJF-QFIPXVFZSA-N 0 0 482.558 4.261 50 0 JIAARN CCOC(=O)CCC(=O)N(CCC(=O)Nc1nnc(-c2cccc(Cl)c2)s1)[C@@H](C)CC ZINC000035701138 569707254 /nfs/dbraw/zinc/70/72/54/569707254.db2.gz UFSAQACECRLNOT-AWEZNQCLSA-N 0 0 466.991 4.158 50 0 JIAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1cccc2cccnc21)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000035725319 569708650 /nfs/dbraw/zinc/70/86/50/569708650.db2.gz DCKGHEYSFRSIJM-DNVCBOLYSA-N 0 0 481.603 4.085 50 0 JIAARN Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3c(C)cc(C)cc3C)s2)cc1 ZINC000035725487 569708770 /nfs/dbraw/zinc/70/87/70/569708770.db2.gz OUJJTKDNKOOEFK-LJQANCHMSA-N 0 0 470.620 4.231 50 0 JIAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1)NC1CCCCC1 ZINC000035729420 569709002 /nfs/dbraw/zinc/70/90/02/569709002.db2.gz BTGAJRXUJQWWPV-IBGZPJMESA-N 0 0 493.589 4.116 50 0 JIAARN O=C(COCc1ccccc1)N(CC(=O)N(Cc1ccco1)Cc1ccccc1)C[C@H]1CCCO1 ZINC000035767296 569709975 /nfs/dbraw/zinc/70/99/75/569709975.db2.gz BZXRHLNYECOJCQ-AREMUKBSSA-N 0 0 476.573 4.033 50 0 JIAARN Cc1[nH]c(C(=O)Nc2cccc(Br)c2)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000085598287 569711127 /nfs/dbraw/zinc/71/11/27/569711127.db2.gz QRIBVLYWNKHGMN-UHFFFAOYSA-N 0 0 454.390 4.211 50 0 JIAARN Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3cccc(Cl)c3)C2)c(C)c1C(=O)OC(C)C ZINC000085621345 569711252 /nfs/dbraw/zinc/71/12/52/569711252.db2.gz KZVSSYPZVUATKF-SFHVURJKSA-N 0 0 459.974 4.019 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000085642731 569711829 /nfs/dbraw/zinc/71/18/29/569711829.db2.gz CTUSKAVRRXNYST-RUZDIDTESA-N 0 0 492.645 4.084 50 0 JIAARN CN1C2=C(C(=O)N(Cc3ccc(F)cc3)C2)[C@@H](c2cccc(OCc3ccccc3)c2)NC1=O ZINC000035834721 569713175 /nfs/dbraw/zinc/71/31/75/569713175.db2.gz NAZXSYFPDNMZSG-RUZDIDTESA-N 0 0 457.505 4.397 50 0 JIAARN COc1ccc(Cn2c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc3ccsc32)cc1 ZINC000035843919 569714512 /nfs/dbraw/zinc/71/45/12/569714512.db2.gz GWEPGWOKJTVZDI-UHFFFAOYSA-N 0 0 489.597 4.446 50 0 JIAARN Cc1ccc(-n2nc(N3CCN(S(=O)(=O)c4ccc(C5CCCCC5)cc4)CC3)ccc2=O)cc1 ZINC000085654429 569714702 /nfs/dbraw/zinc/71/47/02/569714702.db2.gz CDOMIPFQIOQINP-UHFFFAOYSA-N 0 0 492.645 4.100 50 0 JIAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)[nH]n4)s3)CC2)c1C ZINC000085664675 569714865 /nfs/dbraw/zinc/71/48/65/569714865.db2.gz FOQRXRLVNSDNIX-UHFFFAOYSA-N 0 0 470.542 4.285 50 0 JIAARN Cc1oc(-c2ccccc2Cl)nc1CSc1nc2c(nc[nH]c2=O)n1C[C@@H]1CCCO1 ZINC000085704098 569714929 /nfs/dbraw/zinc/71/49/29/569714929.db2.gz HUTZMTVZIYWLOY-ZDUSSCGKSA-N 0 0 457.943 4.208 50 0 JIAARN CC[C@H](C)[C@@H](NC(=O)c1ccc(OC)cc1)c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000035845295 569715820 /nfs/dbraw/zinc/71/58/20/569715820.db2.gz IZHSFHNGWXILIH-VBKZILBWSA-N 0 0 455.511 4.288 50 0 JIAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OC)c(O)c2)cc1 ZINC000085877386 569716130 /nfs/dbraw/zinc/71/61/30/569716130.db2.gz GDSMBUXQZXCNTB-INIZCTEOSA-N 0 0 460.438 4.329 50 0 biogenic JIAARN O=C(c1ccc2c(c1)OCO2)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035848882 569716206 /nfs/dbraw/zinc/71/62/06/569716206.db2.gz ROQOVZPUWDQVJQ-UHFFFAOYSA-N 0 0 462.575 4.139 50 0 JIAARN CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[nH]c(=O)c21 ZINC000086057266 569717128 /nfs/dbraw/zinc/71/71/28/569717128.db2.gz IWDHAIKDIIAUIF-KRWDZBQOSA-N 0 0 451.548 4.252 50 0 JIAARN COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)ccc1OC(C)C ZINC000086057713 569717438 /nfs/dbraw/zinc/71/74/38/569717438.db2.gz YKPUYJRHIFUKCC-MRXNPFEDSA-N 0 0 469.538 4.471 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(c3nc(C4CC4)nc4sc5c(c43)CCCC5)CC2)cc1 ZINC000035867779 569717858 /nfs/dbraw/zinc/71/78/58/569717858.db2.gz YSZBEVCKWYDTIS-UHFFFAOYSA-N 0 0 468.648 4.267 50 0 JIAARN COc1cccc(-n2c(SCc3ccccc3)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000089322799 569718165 /nfs/dbraw/zinc/71/81/65/569718165.db2.gz GLKAFQGVDJTFNZ-UHFFFAOYSA-N 0 0 480.615 4.486 50 0 JIAARN CC(C)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000089893490 569720297 /nfs/dbraw/zinc/72/02/97/569720297.db2.gz AXDJVXKQVHFTIW-UHFFFAOYSA-N 0 0 457.379 4.390 50 0 JIAARN C[C@@H]1CN(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(SC(F)F)cc2)C[C@@H](C)O1 ZINC000089930248 569720448 /nfs/dbraw/zinc/72/04/48/569720448.db2.gz IELVOFWVYHFYSC-HUUCEWRRSA-N 0 0 491.589 4.372 50 0 JIAARN COc1ccccc1CN1Cc2cc(NS(=O)(=O)c3ccc(C)c(F)c3)ccc2O[C@@H](C)C1=O ZINC000035887135 569720665 /nfs/dbraw/zinc/72/06/65/569720665.db2.gz RQFCDKDQGCCGGQ-KRWDZBQOSA-N 0 0 484.549 4.253 50 0 JIAARN CCOC(=O)CCC(=O)N1CCN(c2nc(-c3cccc(F)c3)nc(C)c2Cc2ccccc2)CC1 ZINC000035890474 569721901 /nfs/dbraw/zinc/72/19/01/569721901.db2.gz JAZOEZQDYLDQQA-UHFFFAOYSA-N 0 0 490.579 4.174 50 0 JIAARN COc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=S)Nc3ccccc3)C2=O)cc1 ZINC000095364957 569722943 /nfs/dbraw/zinc/72/29/43/569722943.db2.gz ITAZFAREMMQTPO-HSZRJFAPSA-N 0 0 459.571 4.269 50 0 JIAARN O=C(c1cccs1)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908274 569723960 /nfs/dbraw/zinc/72/39/60/569723960.db2.gz ZQZRYHNYMLCJHM-UHFFFAOYSA-N 0 0 480.597 4.430 50 0 JIAARN CCOC(=O)N1CCN(C(=O)C[C@@H](c2c[nH]c3c2cccc3CC)c2cccc3c2OCO3)CC1 ZINC000035908208 569723977 /nfs/dbraw/zinc/72/39/77/569723977.db2.gz RACDUSWDXKYQRT-OAQYLSRUSA-N 0 0 477.561 4.282 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3ccc(OC)cc3)CC2)n1 ZINC000035908549 569724129 /nfs/dbraw/zinc/72/41/29/569724129.db2.gz VLYZETTUIUNJNI-UHFFFAOYSA-N 0 0 470.577 4.047 50 0 JIAARN COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)CN(Cc1ccccc1F)C(=O)[C@@H](C)O2 ZINC000035909093 569724560 /nfs/dbraw/zinc/72/45/60/569724560.db2.gz BPRSYVKRHUBAHM-MRXNPFEDSA-N 0 0 464.493 4.405 50 0 JIAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@H](C)C(=O)Nc2ccccc2)cc1 ZINC000095482657 569724991 /nfs/dbraw/zinc/72/49/91/569724991.db2.gz DULLDUGQRBZRAU-DWXRJYCRSA-N 0 0 489.572 4.397 50 0 biogenic JIAARN COc1ccc(CC(=O)Nc2ccc3c(c2)CN(Cc2cccc(OC)c2OC)C(=O)[C@H](C)O3)cc1 ZINC000035909748 569725028 /nfs/dbraw/zinc/72/50/28/569725028.db2.gz UTEJMZDHYMBLET-SFHVURJKSA-N 0 0 490.556 4.203 50 0 JIAARN Cc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2CCC(=O)NCCN2CCOCC2)cc1 ZINC000095537591 569726025 /nfs/dbraw/zinc/72/60/25/569726025.db2.gz OEHSEKJESUMGER-UHFFFAOYSA-N 0 0 475.420 4.081 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCC(C)C)n3c2=O)nn1-c1cccc(Cl)c1 ZINC000035911690 569726814 /nfs/dbraw/zinc/72/68/14/569726814.db2.gz PRTZZINMNUWGNC-UHFFFAOYSA-N 0 0 469.998 4.194 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N[C@@H](C)C(C)C)n3c2=O)nn1-c1ccccc1C ZINC000035911655 569726824 /nfs/dbraw/zinc/72/68/24/569726824.db2.gz ZRWOPOZDQCYRDS-KRWDZBQOSA-N 0 0 463.607 4.237 50 0 JIAARN CCCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccccc4C)n3)c(=O)n12 ZINC000035911660 569726860 /nfs/dbraw/zinc/72/68/60/569726860.db2.gz AHWJYSFNSZVFNS-UHFFFAOYSA-N 0 0 463.607 4.383 50 0 JIAARN CC(C)Cn1c(=O)c2c(ncn2Cc2ccc(Cl)c(Cl)c2)n(-c2cccc(F)c2)c1=O ZINC000095545841 569727027 /nfs/dbraw/zinc/72/70/27/569727027.db2.gz DJVSLVGFMPQFLJ-UHFFFAOYSA-N 0 0 461.324 4.499 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NC4CC4)n3c2=O)nn1-c1cc(Cl)ccc1C ZINC000035911986 569727037 /nfs/dbraw/zinc/72/70/37/569727037.db2.gz FEDIJKANKGNLJQ-UHFFFAOYSA-N 0 0 467.982 4.008 50 0 JIAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1cccc(OC)c1 ZINC000095549639 569727368 /nfs/dbraw/zinc/72/73/68/569727368.db2.gz CKPXEYPOHRGKJY-UHFFFAOYSA-N 0 0 474.605 4.194 50 0 JIAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3ccccc3OC)CC2)n1 ZINC000035912775 569727766 /nfs/dbraw/zinc/72/77/66/569727766.db2.gz CVYWFJHQJZTYGM-UHFFFAOYSA-N 0 0 484.604 4.438 50 0 JIAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000035912757 569727767 /nfs/dbraw/zinc/72/77/67/569727767.db2.gz PEHQHMSZRXFAGL-UHFFFAOYSA-N 0 0 498.587 4.158 50 0 JIAARN COc1cc2c(nc(SCC(=O)OC(C)(C)C)n(-c3cccc(C)c3)c2=O)c(OC)c1OC ZINC000035924817 569728326 /nfs/dbraw/zinc/72/83/26/569728326.db2.gz AECFVQFCUOMDFI-UHFFFAOYSA-N 0 0 472.563 4.154 50 0 JIAARN CCNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O ZINC000095644654 569728494 /nfs/dbraw/zinc/72/84/94/569728494.db2.gz QLKKMIWGFNMQJQ-JZFYYOKZSA-N 0 0 483.571 4.166 50 0 in-vitro JIAARN CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)COc3ccccc3)CC2)n1 ZINC000035925611 569728961 /nfs/dbraw/zinc/72/89/61/569728961.db2.gz KMQZBNPPWXTYAA-UHFFFAOYSA-N 0 0 484.604 4.132 50 0 JIAARN Cc1ccc(C(=O)N2CCCN(c3nc(C4CCOCC4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035926017 569729378 /nfs/dbraw/zinc/72/93/78/569729378.db2.gz UQTUQRABWNVHGM-UHFFFAOYSA-N 0 0 496.615 4.370 50 0 JIAARN COc1ccc(-n2c(SCc3cccc(C(=O)N4CCOCC4)c3)nnc2-c2ccco2)cc1 ZINC000095925569 569730265 /nfs/dbraw/zinc/73/02/65/569730265.db2.gz XOASLDFXAPJLDO-UHFFFAOYSA-N 0 0 476.558 4.301 50 0 JIAARN CCC[C@@H](O)CN(C)Cc1nn(-c2ccc(C)cc2)c2c1CN(Cc1ccc(F)cc1)CC2 ZINC000035927992 569730653 /nfs/dbraw/zinc/73/06/53/569730653.db2.gz AJIWYQVAWAHOGM-XMMPIXPASA-N 0 0 450.602 4.471 50 0 JIAARN Cc1ccc(C)c(-n2cnn(CN3CCN(Cc4nc5ccccc5s4)CC3)c2=S)c1 ZINC000095949588 569731358 /nfs/dbraw/zinc/73/13/58/569731358.db2.gz DDFAXTJPDHLROW-UHFFFAOYSA-N 0 0 450.637 4.405 50 0 JIAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C[C@H]2CCCO2)S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000035945068 569732461 /nfs/dbraw/zinc/73/24/61/569732461.db2.gz DUUUYFIHNFTXIT-OAQYLSRUSA-N 0 0 494.057 4.370 50 0 JIAARN C[C@H]1CCCC[C@H]1NC(=O)N1CCN(Cc2nc(=O)c3c(-c4cccs4)csc3[nH]2)CC1 ZINC000096102404 569732763 /nfs/dbraw/zinc/73/27/63/569732763.db2.gz QNKKNZINQWLZLG-DOTOQJQBSA-N 0 0 471.652 4.119 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(C)cc1)C(=O)C(C)C ZINC000035945739 569732954 /nfs/dbraw/zinc/73/29/54/569732954.db2.gz FTSKDWIHLYXYME-HSZRJFAPSA-N 0 0 455.986 4.457 50 0 JIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000096113964 569733070 /nfs/dbraw/zinc/73/30/70/569733070.db2.gz YNRRJRCQRJXROH-URXFXBBRSA-N 0 0 457.438 4.062 50 0 biogenic JIAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2sc(N(C)C)nc2C)cc1 ZINC000096114685 569733622 /nfs/dbraw/zinc/73/36/22/569733622.db2.gz CMGYQOBDKOXIET-GHTZIAJQSA-N 0 0 477.542 4.164 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1F)C(=O)c1ccccc1F ZINC000035946748 569733950 /nfs/dbraw/zinc/73/39/50/569733950.db2.gz YYIVUOIYXCGHLK-JOCHJYFZSA-N 0 0 483.540 4.493 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1F)C(=O)c1cccc(F)c1 ZINC000035946750 569733954 /nfs/dbraw/zinc/73/39/54/569733954.db2.gz FQDRTSPPIMYBOY-JOCHJYFZSA-N 0 0 483.540 4.493 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F)C(=O)C1CCCC1 ZINC000035946699 569733962 /nfs/dbraw/zinc/73/39/62/569733962.db2.gz AIZJTAKOUQAXQD-DEOSSOPVSA-N 0 0 469.532 4.308 50 0 JIAARN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@@H](c1cc3cccc4c3n(c1=O)CC4)CC(=O)O2 ZINC000096115468 569734401 /nfs/dbraw/zinc/73/44/01/569734401.db2.gz ZTXLVGRMLQCUFR-GOSISDBHSA-N 0 0 493.471 4.183 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1OC)C(=O)C1CCC1 ZINC000035947517 569734640 /nfs/dbraw/zinc/73/46/40/569734640.db2.gz XZBOPPNTLCFOAK-HSZRJFAPSA-N 0 0 483.996 4.301 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2cc3c(c(OC)c2)OCO3)cc1 ZINC000096116107 569735144 /nfs/dbraw/zinc/73/51/44/569735144.db2.gz GVMWCLOYHHNGHQ-PXDATVDWSA-N 0 0 487.464 4.071 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1)C(=O)CC(C)(C)C ZINC000035948353 569735218 /nfs/dbraw/zinc/73/52/18/569735218.db2.gz DHDMFLPNQDANHG-FQEVSTJZSA-N 0 0 459.587 4.476 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN(C)C(=O)NC(C)(C)C)[C@@H](c3ccc4c(c3)OCO4)C2)cc1C ZINC000035949143 569735861 /nfs/dbraw/zinc/73/58/61/569735861.db2.gz KLERSCPOQFAFQZ-OAQYLSRUSA-N 0 0 464.566 4.150 50 0 JIAARN Cc1cn2c(/C=C\C(=O)N3CCN(CCCc4nc(-c5ccc(C)cc5)no4)CC3)c(C)nc2s1 ZINC000096130213 569736263 /nfs/dbraw/zinc/73/62/63/569736263.db2.gz IEXGXCPCZXNKTP-KHPPLWFESA-N 0 0 490.633 4.161 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)cc1)C(=O)NC(C)C ZINC000035960674 569736482 /nfs/dbraw/zinc/73/64/82/569736482.db2.gz LUYAJVULKMIAMY-HSZRJFAPSA-N 0 0 487.000 4.093 50 0 JIAARN COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(C)C(=O)C2CCCC2)cc1 ZINC000035960975 569736578 /nfs/dbraw/zinc/73/65/78/569736578.db2.gz OMWUKPZSBPXLGW-XMMPIXPASA-N 0 0 479.577 4.039 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(C)C(=O)c2cccs2)cc1 ZINC000035960958 569736666 /nfs/dbraw/zinc/73/66/66/569736666.db2.gz YBIDRVAHXQQZEB-QFIPXVFZSA-N 0 0 493.585 4.224 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1)C(=O)C1CCCC1 ZINC000035961106 569736839 /nfs/dbraw/zinc/73/68/39/569736839.db2.gz RANFJBDVDLERJT-VWLOTQADSA-N 0 0 493.604 4.047 50 0 JIAARN COc1ccccc1[C@H]1CC(c2ccccc2F)=NN1C(=O)CN(C)C(=O)c1ccccc1F ZINC000035961077 569736865 /nfs/dbraw/zinc/73/68/65/569736865.db2.gz XJUVHTVSBAEXIM-HSZRJFAPSA-N 0 0 463.484 4.423 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1)C(=O)c1ccc(OC)cc1 ZINC000035961612 569737085 /nfs/dbraw/zinc/73/70/85/569737085.db2.gz ZMPKQSMNCWSANZ-AREMUKBSSA-N 0 0 489.547 4.301 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cccs1)C(=O)CC(C)(C)C ZINC000035961579 569737113 /nfs/dbraw/zinc/73/71/13/569737113.db2.gz FZGHJTLFZYLTQC-HXUWFJFHSA-N 0 0 459.587 4.476 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1)C(=O)CC(C)(C)C ZINC000035961954 569737309 /nfs/dbraw/zinc/73/73/09/569737309.db2.gz LQJXSAMPCUXOLJ-RUZDIDTESA-N 0 0 495.620 4.293 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)c3ccco3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000035962068 569737456 /nfs/dbraw/zinc/73/74/56/569737456.db2.gz DLCZHVBHJWWRKK-OAQYLSRUSA-N 0 0 451.910 4.392 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1)C(=O)c1cccs1 ZINC000035962574 569737700 /nfs/dbraw/zinc/73/77/00/569737700.db2.gz DWGNSVZCXOFPOY-QHCPKHFHSA-N 0 0 477.586 4.223 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@@H](c3ccccc3OC)C2)c1 ZINC000035962546 569737712 /nfs/dbraw/zinc/73/77/12/569737712.db2.gz JMOLZUSOLVNLBW-XMMPIXPASA-N 0 0 475.520 4.293 50 0 JIAARN 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569791278 /nfs/dbraw/zinc/79/12/78/569791278.db2.gz LINGBLVQZCPFHR-CECAUBDESA-N 0 0 472.408 4.044 50 0 biogenic JIAARN CC[C@H](C)NC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4ccc(F)cc4C)cc32)o1 ZINC000037511393 569791556 /nfs/dbraw/zinc/79/15/56/569791556.db2.gz HEVBROVCGPXBSA-KRWDZBQOSA-N 0 0 494.519 4.443 50 0 JIAARN Cc1cc(OCC(=O)c2ccc3c(c2)N(CC(=O)N2CCCC[C@H]2C)C(=O)CO3)ccc1Cl ZINC000037512801 569792479 /nfs/dbraw/zinc/79/24/79/569792479.db2.gz JDZTUFDWUUKKEF-QGZVFWFLSA-N 0 0 470.953 4.037 50 0 JIAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(=O)CC(C)(C)C)CC2)cc1 ZINC000037524289 569793034 /nfs/dbraw/zinc/79/30/34/569793034.db2.gz OEYGQPAQSOXJIQ-UHFFFAOYSA-N 0 0 451.611 4.189 50 0 JIAARN Cc1ccc(S(=O)(=O)NC2CCN(c3ccccc3C(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000037524996 569793414 /nfs/dbraw/zinc/79/34/14/569793414.db2.gz LWOWSQWSOZPXPH-UHFFFAOYSA-N 0 0 489.641 4.141 50 0 JIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(F)cc4)N4N=Cc5ccccc5[C@@H]34)C2O)c(C)c1 ZINC000101344405 569793864 /nfs/dbraw/zinc/79/38/64/569793864.db2.gz VPRXRDPJHMXWLO-NDBXHCKUSA-N 0 0 467.500 4.204 50 0 JIAARN CC(=O)N1CCN(C(=O)c2cc3sc(Br)cc3n2Cc2ccc(C)cc2)CC1 ZINC000037543193 569793971 /nfs/dbraw/zinc/79/39/71/569793971.db2.gz IURRUJYKQKIYCD-UHFFFAOYSA-N 0 0 460.397 4.126 50 0 JIAARN COc1ccc(-n2nc(C)c(CCC(=O)NC[C@@H]3CCCO3)c2Oc2ccc(F)cc2)cc1 ZINC000037546820 569794289 /nfs/dbraw/zinc/79/42/89/569794289.db2.gz UPVNXWPBNODANE-QFIPXVFZSA-N 0 0 453.514 4.349 50 0 JIAARN CCCCNC(=O)N1C[C@H](C(=O)N2CCC[C@H](C(=O)OCC)C2)CC[C@H]1c1cccc(C)c1 ZINC000037546218 569794323 /nfs/dbraw/zinc/79/43/23/569794323.db2.gz BGUSLDGJCZWNKX-VJBWXMMDSA-N 0 0 457.615 4.060 50 0 JIAARN CCNc1c2ccccc2oc(=O)c1NC(=O)c1cc(OC)c(OC(=O)OCC)c(OC)c1 ZINC000101368523 569794487 /nfs/dbraw/zinc/79/44/87/569794487.db2.gz UGBJBWCZOBFTOT-UHFFFAOYSA-N 0 0 456.451 4.030 50 0 JIAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)COc2ccccc2)cc1)NC[C@@H]1CCCO1 ZINC000037557326 569795351 /nfs/dbraw/zinc/79/53/51/569795351.db2.gz YJYYPKIAZRZJMB-SANMLTNESA-N 0 0 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CCc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)n2)cc1 ZINC000003419573 194318244 /nfs/dbraw/zinc/31/82/44/194318244.db2.gz DSWCVFJUTIRHCW-UHFFFAOYSA-N 0 0 484.647 4.475 50 0 JIAARN Cc1ccccc1-n1c(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)nnc1-c1ccncc1 ZINC000003410557 194315636 /nfs/dbraw/zinc/31/56/36/194315636.db2.gz QTULGDKUUYCSOJ-KRWDZBQOSA-N 0 0 473.558 4.163 50 0 JIAARN COc1ccccc1N(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000003416439 194317233 /nfs/dbraw/zinc/31/72/33/194317233.db2.gz GVLVGKODIYLMSI-UHFFFAOYSA-N 0 0 496.482 4.365 50 0 JIAARN O=S(=O)(c1cccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)c1)N1CCOCC1 ZINC000003416392 194317315 /nfs/dbraw/zinc/31/73/15/194317315.db2.gz FPKZWOMOEHHMCH-UHFFFAOYSA-N 0 0 498.655 4.309 50 0 JIAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CSc1nc2nc(C)cc(C)n2n1 ZINC000003386900 194310706 /nfs/dbraw/zinc/31/07/06/194310706.db2.gz RMLUQYFFKOGFHH-UHFFFAOYSA-N 0 0 473.605 4.439 50 0 JIAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc(Cc3ccccc3F)n2N)c2ccccc2)c1 ZINC000003445199 194326787 /nfs/dbraw/zinc/32/67/87/194326787.db2.gz IMLCOAFODJNPKA-HSZRJFAPSA-N 0 0 475.549 4.397 50 0 JIAARN NC(=O)c1ccsc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000003457452 194330020 /nfs/dbraw/zinc/33/00/20/194330020.db2.gz FUWJOFGWDMLOIQ-UHFFFAOYSA-N 0 0 461.638 4.327 50 0 JIAARN O=C(NCCCSc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000003421100 194318665 /nfs/dbraw/zinc/31/86/65/194318665.db2.gz SSLLCBYISZYFRZ-UHFFFAOYSA-N 0 0 453.029 4.427 50 0 JIAARN CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000003421818 194318883 /nfs/dbraw/zinc/31/88/83/194318883.db2.gz LJSHFILINIQLGD-IXDOJHRFSA-N 0 0 487.474 4.364 50 0 JIAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCCCC(=O)c2ccc(F)cc2)cc1 ZINC000003477677 194331719 /nfs/dbraw/zinc/33/17/19/194331719.db2.gz JXUYKTPIDUXSEQ-UHFFFAOYSA-N 0 0 485.533 4.479 50 0 JIAARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccc(F)cc1 ZINC000003477920 194331863 /nfs/dbraw/zinc/33/18/63/194331863.db2.gz KTIIFHFJQGYCSP-UHFFFAOYSA-N 0 0 461.540 4.025 50 0 JIAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1)NCc1ccc(F)cc1 ZINC000003486954 194332322 /nfs/dbraw/zinc/33/23/22/194332322.db2.gz PVFPSILLEPUQIY-GOSISDBHSA-N 0 0 465.554 4.153 50 0 JIAARN Cc1cccc(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)N2CCCc3ccccc32)c1 ZINC000003632639 194344680 /nfs/dbraw/zinc/34/46/80/194344680.db2.gz CNYBJMUYRPNAQM-UHFFFAOYSA-N 0 0 487.585 4.170 50 0 JIAARN COc1ccc(Cl)cc1N1C(=O)/C(=C/c2sccc2C)N=C1SCC(=O)N1CCOCC1 ZINC000003500921 194333572 /nfs/dbraw/zinc/33/35/72/194333572.db2.gz SVKKGAVTROSFPS-VBKFSLOCSA-N 0 0 492.022 4.054 50 0 JIAARN COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)cc(OC)c1 ZINC000003501993 194333857 /nfs/dbraw/zinc/33/38/57/194333857.db2.gz SGDAVUFXIRFJSY-UHFFFAOYSA-N 0 0 479.533 4.332 50 0 JIAARN Cc1occc1-c1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)n1Cc1ccccc1 ZINC000003534853 194336161 /nfs/dbraw/zinc/33/61/61/194336161.db2.gz FDZBVRFPRVZBFJ-UHFFFAOYSA-N 0 0 462.531 4.032 50 0 JIAARN Cc1sc2nc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)n(CC(C)C)c(=O)c2c1C ZINC000003542908 194336409 /nfs/dbraw/zinc/33/64/09/194336409.db2.gz DTJKVBWWJGQANR-UHFFFAOYSA-N 0 0 457.577 4.037 50 0 JIAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3OC)nc3c(c2=O)SCC3)cc1 ZINC000003632778 194344887 /nfs/dbraw/zinc/34/48/87/194344887.db2.gz NFZOKCOPHDPOAA-UHFFFAOYSA-N 0 0 499.614 4.027 50 0 JIAARN Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2C)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000003558971 194337652 /nfs/dbraw/zinc/33/76/52/194337652.db2.gz LKGILJYDHMEXJC-UHFFFAOYSA-N 0 0 450.520 4.245 50 0 JIAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Oc3ccc4c(C)cc(=O)oc4c3)c2)cc1 ZINC000003566555 194338221 /nfs/dbraw/zinc/33/82/21/194338221.db2.gz WECRZNWEEHIFPR-UHFFFAOYSA-N 0 0 463.511 4.454 50 0 JIAARN CCOc1ccc(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000003632727 194344954 /nfs/dbraw/zinc/34/49/54/194344954.db2.gz TUQVKCZAGDHNAG-UHFFFAOYSA-N 0 0 495.536 4.059 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 ZINC000003596351 194340408 /nfs/dbraw/zinc/34/04/08/194340408.db2.gz GNTFZQALNCTYSX-UHFFFAOYSA-N 0 0 450.520 4.334 50 0 JIAARN Cc1ccc([C@@H](C(=O)Nc2ccc3c(c2)OCCO3)N(C)C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000003614925 194341192 /nfs/dbraw/zinc/34/11/92/194341192.db2.gz FJDSRDGJLCIQEZ-WVUPHUCASA-N 0 0 486.524 4.347 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccccc2OC)[C@H]1c1ccc(F)cc1 ZINC000003657244 194353768 /nfs/dbraw/zinc/35/37/68/194353768.db2.gz DWMVXUWLHVDWNP-JWQCQUIFSA-N 0 0 462.521 4.078 50 0 JIAARN COc1ccc([C@H]2[C@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3C(=O)N2C)cc1 ZINC000003657711 194354091 /nfs/dbraw/zinc/35/40/91/194354091.db2.gz RLEGDYFEFRTMBK-RPWUZVMVSA-N 0 0 476.529 4.270 50 0 JIAARN COCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 ZINC000003661364 194355398 /nfs/dbraw/zinc/35/53/98/194355398.db2.gz IKNHDGGTSXEVOM-RPBOFIJWSA-N 0 0 462.521 4.078 50 0 JIAARN O=C(NCc1ccc2c(c1)OCO2)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000003665898 194356651 /nfs/dbraw/zinc/35/66/51/194356651.db2.gz UCWSBJLVAKDFOO-QHCPKHFHSA-N 0 0 486.311 4.236 50 0 aggregator JIAARN CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=C3S[C@H](CC)C(=O)N32)ccc1OC(C)=O ZINC000003636750 194345961 /nfs/dbraw/zinc/34/59/61/194345961.db2.gz XZRJBLGWCLCPGQ-CTNGQTDRSA-N 0 0 474.579 4.249 50 0 JIAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc(Br)cc2)cc1 ZINC000003641514 194347204 /nfs/dbraw/zinc/34/72/04/194347204.db2.gz SMLRTMHXULHXKB-FQEVSTJZSA-N 0 0 452.308 4.369 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)CS3)cc1OC ZINC000003645581 194348538 /nfs/dbraw/zinc/34/85/38/194348538.db2.gz PZZALMVIRCCTJE-UHFFFAOYSA-N 0 0 480.561 4.454 50 0 biogenic JIAARN CC[C@@H](C)NC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670590 194358525 /nfs/dbraw/zinc/35/85/25/194358525.db2.gz VWDSGBZNOJACCA-WYRIXSBYSA-N 0 0 452.736 4.214 50 0 JIAARN CCOc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OCc1ccc(F)cc1 ZINC000004009615 194369304 /nfs/dbraw/zinc/36/93/04/194369304.db2.gz FIZUUOXAFRDYJT-UHFFFAOYSA-N 0 0 452.486 4.458 50 0 JIAARN CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](C[NH+]1CCCC1)c1cccc(OCC(=O)[O-])c1 ZINC000003872882 194365850 /nfs/dbraw/zinc/36/58/50/194365850.db2.gz JKYJSFISYHSNOE-NRFANRHFSA-N 0 0 465.377 4.295 50 0 in-vitro JIAARN COc1ccc(CNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(OC)cc2)N3)cc1 ZINC000004164831 194382269 /nfs/dbraw/zinc/38/22/69/194382269.db2.gz LPXLYOIGSDLHDC-QUCCMNQESA-N 0 0 460.456 4.491 50 0 JIAARN CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000004113529 194379890 /nfs/dbraw/zinc/37/98/90/194379890.db2.gz FSQMGEVFZRRFOR-RUZDIDTESA-N 0 0 472.497 4.366 50 0 JIAARN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc4ccccc43)cc2)CC1 ZINC000004121767 194380026 /nfs/dbraw/zinc/38/00/26/194380026.db2.gz OJJLQXRPDIBWKG-UHFFFAOYSA-N 0 0 460.603 4.415 50 0 JIAARN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000004121731 194380092 /nfs/dbraw/zinc/38/00/92/194380092.db2.gz ZRKRXOIAFXJRIS-UHFFFAOYSA-N 0 0 465.406 4.179 50 0 JIAARN COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(OC)c(OC)c2)o1 ZINC000004144702 194381351 /nfs/dbraw/zinc/38/13/51/194381351.db2.gz NOICGHVTQFVSER-UHFFFAOYSA-N 0 0 452.488 4.075 50 0 JIAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000004647778 194393563 /nfs/dbraw/zinc/39/35/63/194393563.db2.gz YOQKOZSDWGZIRA-QGZVFWFLSA-N 0 0 470.522 4.427 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(F)c(F)c1)n2CC ZINC000006095476 194412762 /nfs/dbraw/zinc/41/27/62/194412762.db2.gz OEYDNSLTPJGHIE-UHFFFAOYSA-N 0 0 482.578 4.096 50 0 JIAARN COc1cccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4ccccc4OC)cc3)C2)c1 ZINC000008384078 194438268 /nfs/dbraw/zinc/43/82/68/194438268.db2.gz SKRPDABLLXKAMA-IBGZPJMESA-N 0 0 475.497 4.275 50 0 JIAARN CCOC(=O)c1sc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccccc2)c(C(=O)OCC)c1C ZINC000008397013 194440630 /nfs/dbraw/zinc/44/06/30/194440630.db2.gz GKRYBLKTIDPLIT-FQEVSTJZSA-N 0 0 484.530 4.054 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(n3c4ncccc4nc3C(F)(F)F)CC2)c(C)c1 ZINC000008599310 194466070 /nfs/dbraw/zinc/46/60/70/194466070.db2.gz UGSYARUSLRNJNN-UHFFFAOYSA-N 0 0 452.502 4.401 50 0 JIAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008691427 194477806 /nfs/dbraw/zinc/47/78/06/194477806.db2.gz NFULZXZXQGMPOX-BFYDXBDKSA-N 0 0 450.815 4.447 50 0 JIAARN C[C@H]1CCN(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c2ccccc2S1 ZINC000009011220 194504057 /nfs/dbraw/zinc/50/40/57/194504057.db2.gz SHUHPMTXDHFXLM-INIZCTEOSA-N 0 0 490.537 4.150 50 0 JIAARN CN(c1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000009056590 194514256 /nfs/dbraw/zinc/51/42/56/194514256.db2.gz GVEGHDGTDHSGDU-UHFFFAOYSA-N 0 0 471.478 4.298 50 0 JIAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2c3ccccc3[nH]c2-c2ccccc2)C1=O ZINC000009092570 194525614 /nfs/dbraw/zinc/52/56/14/194525614.db2.gz DWKSYEMNAOXOIQ-MHZLTWQESA-N 0 0 467.481 4.214 50 0 JIAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1S[C@@H](C)C(=O)c1cccc(Cl)c1 ZINC000009093012 194525773 /nfs/dbraw/zinc/52/57/73/194525773.db2.gz ODOLMDPVPUZLLG-HNNXBMFYSA-N 0 0 494.038 4.094 50 0 JIAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC1CCCCC1 ZINC000009058828 194516793 /nfs/dbraw/zinc/51/67/93/194516793.db2.gz OIBQJFCGNLXXBZ-ROKPMTFOSA-N 0 0 457.640 4.015 50 0 JIAARN CCOc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(Cc3ccc(OC)cc3)c2=O)cc1 ZINC000009116587 194537601 /nfs/dbraw/zinc/53/76/01/194537601.db2.gz PKKMTPGNHWDGDY-UHFFFAOYSA-N 0 0 499.523 4.004 50 0 JIAARN COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCCCc5ccccc5)C4)sc3n2)cc1 ZINC000009117433 194539501 /nfs/dbraw/zinc/53/95/01/194539501.db2.gz QSVOLYXEJPPMSP-NRFANRHFSA-N 0 0 475.618 4.432 50 0 JIAARN CC(C)n1nc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c2ccccc2c1=O ZINC000009119322 194542582 /nfs/dbraw/zinc/54/25/82/194542582.db2.gz LVCHWCNNONOEPX-OAHLLOKOSA-N 0 0 462.531 4.285 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(Br)c1 ZINC000009119954 194544697 /nfs/dbraw/zinc/54/46/97/194544697.db2.gz QVQZUYWLTIGXJI-UHFFFAOYSA-N 0 0 467.385 4.275 50 0 JIAARN Cc1ccc(-n2c(S[C@H](C(=O)NC(N)=O)c3ccccc3)nnc2-c2ccccc2F)cc1 ZINC000009126552 194552293 /nfs/dbraw/zinc/55/22/93/194552293.db2.gz QFMJQRDBJHHJSY-FQEVSTJZSA-N 0 0 461.522 4.410 50 0 JIAARN Cc1cc(Cl)ccc1NC(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000009152771 194569676 /nfs/dbraw/zinc/56/96/76/194569676.db2.gz JPIPVMJVTWQJTQ-CHWSQXEVSA-N 0 0 452.985 4.272 50 0 JIAARN COc1cccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)COc3ccccc3)CC2)c1 ZINC000009228460 194616283 /nfs/dbraw/zinc/61/62/83/194616283.db2.gz SEJVIXULUBQGAQ-UHFFFAOYSA-N 0 0 485.540 4.421 50 0 JIAARN Cc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccc(Br)c(C)c1)S2 ZINC000009237275 194623248 /nfs/dbraw/zinc/62/32/48/194623248.db2.gz YITFJMBMLMXHOS-ROUUACIJSA-N 0 0 458.385 4.364 50 0 JIAARN Cc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccc(Br)c(C)c1)S2 ZINC000009237271 194623315 /nfs/dbraw/zinc/62/33/15/194623315.db2.gz YITFJMBMLMXHOS-ZWKOTPCHSA-N 0 0 458.385 4.364 50 0 JIAARN Cc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(Br)cc1)S2 ZINC000009237489 194623361 /nfs/dbraw/zinc/62/33/61/194623361.db2.gz LPARMYBVDCFDDU-JKSUJKDBSA-N 0 0 464.776 4.400 50 0 JIAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2C)cc1Br ZINC000009237765 194623767 /nfs/dbraw/zinc/62/37/67/194623767.db2.gz FGHMUNDXQRHDMI-ZWKOTPCHSA-N 0 0 474.384 4.064 50 0 JIAARN CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)NCc2ccccc2)cc1 ZINC000009238460 194625323 /nfs/dbraw/zinc/62/53/23/194625323.db2.gz GJAXJCJRWKSWMP-GOTSBHOMSA-N 0 0 471.586 4.419 50 0 JIAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009207250 194595226 /nfs/dbraw/zinc/59/52/26/194595226.db2.gz QLYQGJMNISZVEF-MRXNPFEDSA-N 0 0 467.570 4.375 50 0 JIAARN CCC(=O)N(c1nnc(SCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)s1)C1CC1 ZINC000009209129 194596213 /nfs/dbraw/zinc/59/62/13/194596213.db2.gz XTNXEXKXUHQAIX-UHFFFAOYSA-N 0 0 459.641 4.411 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3ccccc3-c3ccccc3)CC2=O)cc1 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Cc1cc(N2CCN(C(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)CC2)nc(C(C)C)n1 ZINC000009953699 195035487 /nfs/dbraw/zinc/03/54/87/195035487.db2.gz AEFRQRVTKKKQMZ-XMMPIXPASA-N 0 0 470.573 4.325 50 0 JIAARN COc1cc(C(=O)OCCOc2ccccc2F)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000009955259 195036101 /nfs/dbraw/zinc/03/61/01/195036101.db2.gz KGSIRUVQNHEUJH-UHFFFAOYSA-N 0 0 457.429 4.227 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CSc3nnc(-c4ccc5c(c4)OCO5)o3)[C@H](c3ccco3)C2)o1 ZINC000009957074 195036763 /nfs/dbraw/zinc/03/67/63/195036763.db2.gz KGLWRYTZNMKLNF-INIZCTEOSA-N 0 0 478.486 4.430 50 0 JIAARN O=C(Cn1c2c3ccccc3sc2c(=O)n(Cc2ccco2)c1=O)NCCC1=CCCCC1 ZINC000009959839 195038572 /nfs/dbraw/zinc/03/85/72/195038572.db2.gz AHNXISFPSJFSQJ-UHFFFAOYSA-N 0 0 463.559 4.026 50 0 JIAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C=Cc1ccc(OCc2ccccc2)cc1 ZINC000009963734 195040570 /nfs/dbraw/zinc/04/05/70/195040570.db2.gz NJDKNLLVLQPLPZ-DTQAZKPQSA-N 0 0 469.541 4.191 50 0 JIAARN CCCOC(=O)c1cc(NC(=O)c2cc(Br)cc(C)c2OC)ccc1N1CCOCC1 ZINC000009933577 195025575 /nfs/dbraw/zinc/02/55/75/195025575.db2.gz CNDSYGZIXQHDDT-UHFFFAOYSA-N 0 0 491.382 4.422 50 0 JIAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccnc2)cc1 ZINC000009934015 195026268 /nfs/dbraw/zinc/02/62/68/195026268.db2.gz RDJKSUQMSQSYHW-HSZRJFAPSA-N 0 0 476.508 4.376 50 0 JIAARN O=C(C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccc(F)cc1)Nc1cccc(F)c1 ZINC000009934241 195026808 /nfs/dbraw/zinc/02/68/08/195026808.db2.gz ZORYKTUWGKFACY-OAQYLSRUSA-N 0 0 453.420 4.470 50 0 JIAARN COc1ccc(CCNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 ZINC000009963839 195040771 /nfs/dbraw/zinc/04/07/71/195040771.db2.gz AJCBBIZOUDQFCH-UHFFFAOYSA-N 0 0 474.586 4.403 50 0 JIAARN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1 ZINC000012602178 195047448 /nfs/dbraw/zinc/04/74/48/195047448.db2.gz RVNWYCQKIPZJHW-OALUTQOASA-N 0 0 474.561 4.072 50 0 JIAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CCC(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000012603724 195048812 /nfs/dbraw/zinc/04/88/12/195048812.db2.gz 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Cc1cc(C(=O)CSc2nnc(NCc3ccc(F)cc3)s2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000012620744 195056632 /nfs/dbraw/zinc/05/66/32/195056632.db2.gz RIPJEATTZPAWQL-QGZVFWFLSA-N 0 0 494.639 4.042 50 0 JIAARN C[C@@H]1CN(C(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000012623623 195058412 /nfs/dbraw/zinc/05/84/12/195058412.db2.gz SNEMPEJVQVYTNN-HUUCEWRRSA-N 0 0 477.508 4.132 50 0 JIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COc1ccc(I)cc1 ZINC000009968814 195041809 /nfs/dbraw/zinc/04/18/09/195041809.db2.gz PLOZMSWULSGFBN-UHFFFAOYSA-N 0 0 459.305 4.164 50 0 JIAARN CCOC(=O)C1=C(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)NC(=O)NC1 ZINC000012636711 195068175 /nfs/dbraw/zinc/06/81/75/195068175.db2.gz IYHJIILPQTZDDM-UHFFFAOYSA-N 0 0 491.617 4.454 50 0 JIAARN COc1ccc(-n2c(SCC(=O)N(C)Cc3cccc(OC)c3)nnc2-c2ccncc2)cc1 ZINC000012638434 195068880 /nfs/dbraw/zinc/06/88/80/195068880.db2.gz RDKSXGFCEVLIDM-UHFFFAOYSA-N 0 0 475.574 4.097 50 0 JIAARN O=C(NCc1ccc(OC(F)F)cc1)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012646017 195074363 /nfs/dbraw/zinc/07/43/63/195074363.db2.gz YWEDRNBJDDGKQS-UHFFFAOYSA-N 0 0 483.924 4.353 50 0 JIAARN CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1Cl ZINC000012648186 195074694 /nfs/dbraw/zinc/07/46/94/195074694.db2.gz VPGUNGVMPNRYKB-XBXARRHUSA-N 0 0 491.780 4.092 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(N2C(=O)CC(c3nc4ccccc4s3)=C2N)c1 ZINC000012652688 195076730 /nfs/dbraw/zinc/07/67/30/195076730.db2.gz CCPVYFQTNQWPQI-UHFFFAOYSA-N 0 0 477.011 4.044 50 0 JIAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N(C)c3ccccc3)CC2=O)cc1 ZINC000012627912 195060337 /nfs/dbraw/zinc/06/03/37/195060337.db2.gz GMADWIXNIPCEBO-IBGZPJMESA-N 0 0 454.530 4.228 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012630068 195061921 /nfs/dbraw/zinc/06/19/21/195061921.db2.gz MZYQAUIWIBGWOD-UHFFFAOYSA-N 0 0 480.586 4.310 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2cc(C)c3ccccc3n2)CC1 ZINC000012632954 195065151 /nfs/dbraw/zinc/06/51/51/195065151.db2.gz VIUBZRXVISEYQT-UHFFFAOYSA-N 0 0 462.619 4.035 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)COc2ccc(C)cc2OC)cc1 ZINC000012634255 195065897 /nfs/dbraw/zinc/06/58/97/195065897.db2.gz FVMLNJOEJDWMEG-XMMPIXPASA-N 0 0 488.540 4.312 50 0 JIAARN CCOC(=O)Cc1csc(SCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)n1 ZINC000012634716 195066396 /nfs/dbraw/zinc/06/63/96/195066396.db2.gz LPGIEHLQWDQUAU-MRXNPFEDSA-N 0 0 483.615 4.471 50 0 JIAARN COc1cc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc(OC)c1OC ZINC000012660531 195080432 /nfs/dbraw/zinc/08/04/32/195080432.db2.gz VRKRWENUJHICRF-WIOPSUGQSA-N 0 0 488.540 4.461 50 0 biogenic JIAARN O=C(Nc1ccc(Br)cc1Br)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 ZINC000012662103 195081484 /nfs/dbraw/zinc/08/14/84/195081484.db2.gz ZIQVPSVTTNHPTH-YJBOKZPZSA-N 0 0 494.139 4.010 50 0 biogenic JIAARN COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccccc2)cc(OC)c1OC ZINC000012662336 195081646 /nfs/dbraw/zinc/08/16/46/195081646.db2.gz UCEGJTAQUBKYER-RJWMVNQGSA-N 0 0 454.567 4.019 50 0 biogenic JIAARN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)CC1=O ZINC000012675475 195082153 /nfs/dbraw/zinc/08/21/53/195082153.db2.gz QILCWUDJRMNUHL-IBGZPJMESA-N 0 0 459.550 4.062 50 0 JIAARN COc1cccc(CN(C(=O)Cn2ncc(=O)c3ccccc32)C23CC4CC(CC(C4)C2)C3)c1 ZINC000012680092 195083859 /nfs/dbraw/zinc/08/38/59/195083859.db2.gz DNTPPSCLKSWUMH-UHFFFAOYSA-N 0 0 457.574 4.403 50 0 JIAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CN3CCC[C@H]3c3cccs3)C2=O)cc1 ZINC000012679628 195083908 /nfs/dbraw/zinc/08/39/08/195083908.db2.gz RTKAQIQVZWCZMY-QFIPXVFZSA-N 0 0 477.586 4.355 50 0 JIAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc3c(s2)-c2ccccc2OC3)c1 ZINC000012682720 195084804 /nfs/dbraw/zinc/08/48/04/195084804.db2.gz IGACXJLVXBIURX-UHFFFAOYSA-N 0 0 477.947 4.160 50 0 JIAARN Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)OCCCn1c(=O)[nH]c2ccccc21 ZINC000012684580 195085599 /nfs/dbraw/zinc/08/55/99/195085599.db2.gz URNFKDNQRYLSRY-OUKQBFOZSA-N 0 0 450.926 4.183 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCc1nc2ccccc2s1 ZINC000012688876 195087406 /nfs/dbraw/zinc/08/74/06/195087406.db2.gz ZDONLQNTJKKAGW-UHFFFAOYSA-N 0 0 473.620 4.441 50 0 JIAARN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000012693346 195089363 /nfs/dbraw/zinc/08/93/63/195089363.db2.gz MCXXMABDGUEYBL-FQEVSTJZSA-N 0 0 480.030 4.065 50 0 JIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000012695932 195090159 /nfs/dbraw/zinc/09/01/59/195090159.db2.gz FXYXBZAUHXICRW-QFIPXVFZSA-N 0 0 486.663 4.330 50 0 JIAARN COc1ccc(C2=NN(C(=O)CSc3nnnn3-c3c(C)cccc3C)[C@H](c3ccco3)C2)cc1 ZINC000012696438 195090314 /nfs/dbraw/zinc/09/03/14/195090314.db2.gz AUJBVGQBCOUVAO-NRFANRHFSA-N 0 0 488.573 4.351 50 0 JIAARN COc1ccc(/C=C(\NC(=O)c2ccc(Br)cc2)C(=O)NCc2ccco2)cc1 ZINC000012655529 195077939 /nfs/dbraw/zinc/07/79/39/195077939.db2.gz ZQJWXKXUQKPNDJ-MOSHPQCFSA-N 0 0 455.308 4.138 50 0 JIAARN COC[C@H](C)n1c(S[C@H](C(=O)Nc2ccc(OC)cc2)C(C)C)nc2ccccc2c1=O ZINC000012722954 195097338 /nfs/dbraw/zinc/09/73/38/195097338.db2.gz WAPXWIZOPIIBCO-KKSFZXQISA-N 0 0 455.580 4.368 50 0 JIAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC000012727596 195097952 /nfs/dbraw/zinc/09/79/52/195097952.db2.gz WRXJMKXPYRDNKA-UHFFFAOYSA-N 0 0 479.480 4.041 50 0 JIAARN COc1ccc(C(=O)C2CCN(C(=O)[C@H](NC(=O)c3ccccc3Cl)C(C)C)CC2)cc1 ZINC000012740953 195100848 /nfs/dbraw/zinc/10/08/48/195100848.db2.gz GRVZNQPZUAJNDH-JOCHJYFZSA-N 0 0 456.970 4.225 50 0 JIAARN C[C@@H]1CN(C(=O)CSc2ncnc3cc(-c4ccc(Br)cc4)sc32)CCO1 ZINC000012740711 195100874 /nfs/dbraw/zinc/10/08/74/195100874.db2.gz ACNXQKJEJQXAHY-GFCCVEGCSA-N 0 0 464.410 4.460 50 0 JIAARN O=C(/C=C/c1c(Cl)cccc1Cl)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000012746714 195102931 /nfs/dbraw/zinc/10/29/31/195102931.db2.gz DNFZWSPXEBMWHZ-CMDGGOBGSA-N 0 0 452.769 4.443 50 0 JIAARN CSCc1c2ccccc2oc1C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000012743868 195101970 /nfs/dbraw/zinc/10/19/70/195101970.db2.gz GFUSVBDMGMFXBI-UHFFFAOYSA-N 0 0 451.592 4.309 50 0 JIAARN Nc1c(N(CCC2=CCCCC2)C(=O)c2ccc(Cl)cc2F)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000012748031 195103611 /nfs/dbraw/zinc/10/36/11/195103611.db2.gz VHQFOUMLJNWBHM-UHFFFAOYSA-N 0 0 496.970 4.497 50 0 JIAARN Cc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c(C(N)=O)c(C)c1C ZINC000012754468 195107918 /nfs/dbraw/zinc/10/79/18/195107918.db2.gz HHCKVUZMILXFGO-UHFFFAOYSA-N 0 0 466.529 4.456 50 0 JIAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)n(-c2ccc(F)cc2)n1 ZINC000012757954 195109403 /nfs/dbraw/zinc/10/94/03/195109403.db2.gz WDVNBSGPHBUMKT-UHFFFAOYSA-N 0 0 464.328 4.136 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000012763703 195112184 /nfs/dbraw/zinc/11/21/84/195112184.db2.gz CLCMUBCKZVNJIO-UHFFFAOYSA-N 0 0 494.613 4.267 50 0 JIAARN CCc1cccc2c(C(=O)CSc3nc4cc(C(=O)OC)ccc4c(=O)n3CCCOC)c[nH]c21 ZINC000012766217 195113885 /nfs/dbraw/zinc/11/38/85/195113885.db2.gz FFDHONMHJXEVPT-UHFFFAOYSA-N 0 0 493.585 4.238 50 0 JIAARN Cc1ccc(-c2noc(CN3CCN(C(=O)c4csc(-c5cccs5)n4)CC3)n2)cc1 ZINC000012766241 195113915 /nfs/dbraw/zinc/11/39/15/195113915.db2.gz VFWSCSIHZXSXMN-UHFFFAOYSA-N 0 0 451.577 4.188 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1NC(C)=O ZINC000012766623 195114254 /nfs/dbraw/zinc/11/42/54/195114254.db2.gz JNSFBEMZWTYAGC-AREMUKBSSA-N 0 0 496.585 4.007 50 0 JIAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)n(-c2ccc(C)cc2)n1 ZINC000012767485 195114837 /nfs/dbraw/zinc/11/48/37/195114837.db2.gz QJBBKGURVBAOBC-UHFFFAOYSA-N 0 0 460.365 4.305 50 0 JIAARN COc1ccccc1N(CC(=O)NCCC(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012767494 195114874 /nfs/dbraw/zinc/11/48/74/195114874.db2.gz FIZSSUDTIARBKF-UHFFFAOYSA-N 0 0 458.502 4.072 50 0 JIAARN COc1ccc(-n2nnnc2SCCCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000012768802 195116258 /nfs/dbraw/zinc/11/62/58/195116258.db2.gz LDCGTQSXVVAGTD-UHFFFAOYSA-N 0 0 462.457 4.465 50 0 JIAARN CCc1cccc(CC)c1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000012769872 195116757 /nfs/dbraw/zinc/11/67/57/195116757.db2.gz SJDYHYCIMYNELR-IBGZPJMESA-N 0 0 466.607 4.354 50 0 JIAARN O=c1cc(CSc2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)nc2sccn21 ZINC000012782183 195125167 /nfs/dbraw/zinc/12/51/67/195125167.db2.gz JXWZWKRXPIDXFV-INIZCTEOSA-N 0 0 459.984 4.139 50 0 JIAARN COCCn1c(S[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)nc2sc(C)c(C)c2c1=O ZINC000012784325 195126561 /nfs/dbraw/zinc/12/65/61/195126561.db2.gz AVRWABKLCPYPKB-APWZRJJASA-N 0 0 471.648 4.396 50 0 JIAARN COc1ccc(Br)cc1-c1nc(CSc2nnnn2C[C@@H]2CCCO2)cs1 ZINC000012784536 195126861 /nfs/dbraw/zinc/12/68/61/195126861.db2.gz RQORTHBAVNWYBX-ZDUSSCGKSA-N 0 0 468.402 4.039 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000012787756 195129471 /nfs/dbraw/zinc/12/94/71/195129471.db2.gz DFCVOBPGEAQBCG-AOYPEHQESA-N 0 0 498.583 4.035 50 0 JIAARN CN(c1ccc(OCC(=O)Nc2cc(Cl)ccc2F)cc1)S(=O)(=O)c1cccs1 ZINC000012788079 195129796 /nfs/dbraw/zinc/12/97/96/195129796.db2.gz DQIJSZDUAIDGPP-UHFFFAOYSA-N 0 0 454.932 4.383 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)c(OC)cc2OC)c1 ZINC000012790112 195131212 /nfs/dbraw/zinc/13/12/12/195131212.db2.gz UHRWGICPMSQTOA-UHFFFAOYSA-N 0 0 461.367 4.293 50 0 JIAARN C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000012791463 195132172 /nfs/dbraw/zinc/13/21/72/195132172.db2.gz AXXLOAWZNIJKLR-FATZIPQQSA-N 0 0 465.556 4.309 50 0 JIAARN CN(C(=O)CSc1nnc(NC[C@@H]2CCCO2)s1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000012792843 195133423 /nfs/dbraw/zinc/13/34/23/195133423.db2.gz REQAOWQXJZNCJQ-NYHFZMIOSA-N 0 0 495.070 4.372 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(SCCCOc1cccc(C)c1)n(C[C@@H]1CCCO1)c2=O ZINC000012793696 195133918 /nfs/dbraw/zinc/13/39/18/195133918.db2.gz NEJWECQXFIRSJE-FQEVSTJZSA-N 0 0 468.575 4.232 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(SCCCOc1cccc(C)c1)n(C[C@H]1CCCO1)c2=O ZINC000012793699 195134009 /nfs/dbraw/zinc/13/40/09/195134009.db2.gz NEJWECQXFIRSJE-HXUWFJFHSA-N 0 0 468.575 4.232 50 0 JIAARN CCC[C@H](NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCC(=O)OC)c1ccccc1 ZINC000012793684 195134062 /nfs/dbraw/zinc/13/40/62/195134062.db2.gz PNUKHJFDXDXORZ-PXNSSMCTSA-N 0 0 467.591 4.098 50 0 JIAARN O=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000012794970 195135075 /nfs/dbraw/zinc/13/50/75/195135075.db2.gz ZXFFBDBQBONCDW-UHFFFAOYSA-N 0 0 486.557 4.202 50 0 JIAARN CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000012796127 195135964 /nfs/dbraw/zinc/13/59/64/195135964.db2.gz MPDICZPOXVYAFH-JLHYYAGUSA-N 0 0 467.572 4.040 50 0 JIAARN O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000012796674 195136533 /nfs/dbraw/zinc/13/65/33/195136533.db2.gz AOHLEGFYJGSNQH-HNNXBMFYSA-N 0 0 477.302 4.048 50 0 JIAARN O=C(CSCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000012798279 195137658 /nfs/dbraw/zinc/13/76/58/195137658.db2.gz GCBVBTYFTNJKIJ-UHFFFAOYSA-N 0 0 477.605 4.431 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000012797828 195137146 /nfs/dbraw/zinc/13/71/46/195137146.db2.gz FRADLQQMEKKBOM-UHFFFAOYSA-N 0 0 466.607 4.261 50 0 JIAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000012798150 195137501 /nfs/dbraw/zinc/13/75/01/195137501.db2.gz ZZCBKLHWTPIWKT-LJQANCHMSA-N 0 0 460.527 4.049 50 0 JIAARN COc1ccc(-c2csc(NC(=O)CCc3c(C)nc(SC)[nH]c3=O)n2)cc1Cl ZINC000012809981 195143844 /nfs/dbraw/zinc/14/38/44/195143844.db2.gz CGPPTEAZXPJWCK-UHFFFAOYSA-N 0 0 450.973 4.157 50 0 JIAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cc2)CC1 ZINC000012814923 195146334 /nfs/dbraw/zinc/14/63/34/195146334.db2.gz ORBZRUZRQSRWCM-UHFFFAOYSA-N 0 0 498.432 4.125 50 0 JIAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000012819529 195148649 /nfs/dbraw/zinc/14/86/49/195148649.db2.gz RPUAMWVRDDTYOQ-QHCPKHFHSA-N 0 0 481.556 4.470 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccccc1SC ZINC000012822044 195149778 /nfs/dbraw/zinc/14/97/78/195149778.db2.gz NRZJWMHHQLETRU-UHFFFAOYSA-N 0 0 454.573 4.421 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc4ccccc4c3)CC2)cc1OC ZINC000012822204 195149845 /nfs/dbraw/zinc/14/98/45/195149845.db2.gz ORMJANFVVSHDKF-SFHVURJKSA-N 0 0 482.602 4.135 50 0 JIAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000012824846 195150847 /nfs/dbraw/zinc/15/08/47/195150847.db2.gz UWIBDDUXRMRZRP-UHFFFAOYSA-N 0 0 474.380 4.322 50 0 JIAARN O=C(CCNc1nc(CSc2ccccc2)nc2sc3c(c21)CCC3)N1CCOCC1 ZINC000012857393 195158215 /nfs/dbraw/zinc/15/82/15/195158215.db2.gz DXURQIXFWQELAS-UHFFFAOYSA-N 0 0 454.621 4.133 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O ZINC000012858911 195158748 /nfs/dbraw/zinc/15/87/48/195158748.db2.gz KBNKRXSFXXEYCG-DEOSSOPVSA-N 0 0 497.617 4.163 50 0 JIAARN CCOC(=O)CN(c1cc(OCCOC)c(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012859863 195159008 /nfs/dbraw/zinc/15/90/08/195159008.db2.gz CPFFVYUJEFDOGB-UHFFFAOYSA-N 0 0 496.796 4.430 50 0 JIAARN O=C(/C=C/c1cc(Cl)ccc1Cl)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000012866960 195161723 /nfs/dbraw/zinc/16/17/23/195161723.db2.gz KQMUJNCYFPKEOW-VMPITWQZSA-N 0 0 452.769 4.443 50 0 JIAARN COc1ccccc1CN1CC(=O)N2C[C@@H](c3ccccc3OC)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012875010 195165443 /nfs/dbraw/zinc/16/54/43/195165443.db2.gz MIBWZNPNBQFEND-CHJDUVSTSA-N 0 0 495.579 4.417 50 0 biogenic JIAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000012899686 195176860 /nfs/dbraw/zinc/17/68/60/195176860.db2.gz LGKBEUBTXQHOOS-UHFFFAOYSA-N 0 0 488.426 4.272 50 0 JIAARN COc1ccc(CCNC(=O)Cc2c(C)c3c(OC)cc4c(c3oc2=O)CCC(C)(C)O4)cc1OC ZINC000012899940 195177096 /nfs/dbraw/zinc/17/70/96/195177096.db2.gz JJBLDGGWXWTJNZ-UHFFFAOYSA-N 0 0 495.572 4.132 50 0 biogenic JIAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@H](C(=O)N2CCCC2)C(C)C)cc1 ZINC000012892030 195173596 /nfs/dbraw/zinc/17/35/96/195173596.db2.gz ZDZQQMSKLYXNOV-IZZNHLLZSA-N 0 0 495.620 4.017 50 0 biogenic JIAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NC(C)C)c(C)c21 ZINC000012897324 195175893 /nfs/dbraw/zinc/17/58/93/195175893.db2.gz BIDKGVKJGIQBFM-NRFANRHFSA-N 0 0 474.557 4.259 50 0 biogenic JIAARN COc1ccc2cc(CN(C)C(=O)C3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)ccc2c1 ZINC000012862984 195160002 /nfs/dbraw/zinc/16/00/02/195160002.db2.gz JSUFHSDUKYVKSH-UHFFFAOYSA-N 0 0 488.556 4.186 50 0 JIAARN Cc1oc2cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc2c(=O)c1Oc1ccccc1 ZINC000012863493 195160478 /nfs/dbraw/zinc/16/04/78/195160478.db2.gz ZULAYDAUCPJFTB-PPHZAIPVSA-N 0 0 463.530 4.426 50 0 biogenic JIAARN O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 ZINC000012863435 195160516 /nfs/dbraw/zinc/16/05/16/195160516.db2.gz HEJPSCFIQWHLHD-NRFANRHFSA-N 0 0 498.558 4.267 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1 ZINC000012865138 195161312 /nfs/dbraw/zinc/16/13/12/195161312.db2.gz XOTRYEJCJPXVOE-UHFFFAOYSA-N 0 0 457.596 4.019 50 0 JIAARN C[C@@H](NC(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000012906449 195179841 /nfs/dbraw/zinc/17/98/41/195179841.db2.gz ZRGPSXUNXQVUDP-MRXNPFEDSA-N 0 0 471.575 4.199 50 0 JIAARN CC[C@@H](C(=O)NC[C@H](C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607594 195181687 /nfs/dbraw/zinc/18/16/87/195181687.db2.gz SWEFHRFCHPMYMG-AAEUAGOBSA-N 0 0 451.415 4.010 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccccc4)cc2)CC3)cc1 ZINC000020614758 195186928 /nfs/dbraw/zinc/18/69/28/195186928.db2.gz UCFKDJGIEGIWNO-UHFFFAOYSA-N 0 0 492.597 4.016 50 0 JIAARN CCn1ncc(NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c1C(=O)N1CCOCC1 ZINC000020615971 195187817 /nfs/dbraw/zinc/18/78/17/195187817.db2.gz IOUCKUMAGIHMJY-UHFFFAOYSA-N 0 0 485.588 4.248 50 0 JIAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2c(C)nn(Cc3c(C)nn(C)c3C)c2C)cc1 ZINC000020616454 195188112 /nfs/dbraw/zinc/18/81/12/195188112.db2.gz MQDINOBZDGXODK-UHFFFAOYSA-N 0 0 462.554 4.335 50 0 JIAARN COC(=O)c1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(C)cc2)cc1 ZINC000020617214 195188976 /nfs/dbraw/zinc/18/89/76/195188976.db2.gz SXKASGWNOUVSCE-GNVQSUKOSA-N 0 0 457.486 4.208 50 0 JIAARN COc1ccc(-n2c(=O)c([C@@H]3[NH2+]CCc4c5cc(Cl)ccc5[nH]c43)c([O-])nc2SC)cc1 ZINC000020622716 195190410 /nfs/dbraw/zinc/19/04/10/195190410.db2.gz KOBHMFQQSFIOAB-FQEVSTJZSA-N 0 0 468.966 4.038 50 0 JIAARN O=C(CN1CCOCC1)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000020622949 195190780 /nfs/dbraw/zinc/19/07/80/195190780.db2.gz GDPGENMGOBEISM-RUZDIDTESA-N 0 0 481.556 4.142 50 0 JIAARN Cc1ccccc1CS(=O)(=O)C[C@H]1Nc2ccc(C(=O)NC3CCCCCCC3)cc2NC1=O ZINC000020680246 195203741 /nfs/dbraw/zinc/20/37/41/195203741.db2.gz DNSIIBSRBCKBJW-XMMPIXPASA-N 0 0 483.634 4.185 50 0 JIAARN COc1ccc(Br)cc1CN1C(=O)CC[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020686512 195205124 /nfs/dbraw/zinc/20/51/24/195205124.db2.gz ZWKJSICRCHJWHK-OLMRKFRDSA-N 0 0 451.405 4.280 50 0 JIAARN 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CC[C@H](C(=O)NCc1ccccc1F)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937809 195254052 /nfs/dbraw/zinc/25/40/52/195254052.db2.gz RRNYLEPKYJKLOY-JOCHJYFZSA-N 0 0 457.571 4.223 50 0 JIAARN CCOC(=O)C[C@H]1c2cc(OCC)c(OCC)cc2CCN1CC(=O)Nc1ccc(F)cc1 ZINC000020932509 195251884 /nfs/dbraw/zinc/25/18/84/195251884.db2.gz OEOUOXHGCKNYCF-NRFANRHFSA-N 0 0 458.530 4.114 50 0 JIAARN Cc1ccc(-n2ncc(C(=O)NCCCN3CCN(c4ccccc4F)CC3)c2-n2cccc2)cc1 ZINC000020933698 195252242 /nfs/dbraw/zinc/25/22/42/195252242.db2.gz VPZZLTNWRUTSGE-UHFFFAOYSA-N 0 0 486.595 4.053 50 0 JIAARN CCc1ccc(CNC(=O)[C@@H](C)n2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 ZINC000020937598 195253673 /nfs/dbraw/zinc/25/36/73/195253673.db2.gz OTMZPHMJOHJIDC-LJQANCHMSA-N 0 0 453.608 4.256 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3C[C@@H](CC)Oc4ccc(C)cc43)c2)on1 ZINC000020985218 195260275 /nfs/dbraw/zinc/26/02/75/195260275.db2.gz RDQNYKAODKQUFL-QGZVFWFLSA-N 0 0 486.546 4.202 50 0 JIAARN Cc1cccc(C)c1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21 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CC(C)(C)c1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000021785957 519027235 /nfs/dbraw/zinc/02/72/35/519027235.db2.gz SITXGVXVEAAPCV-NRFANRHFSA-N 0 0 452.576 4.469 50 0 JIAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3Br)CC2)cc1 ZINC000013746555 519044296 /nfs/dbraw/zinc/04/42/96/519044296.db2.gz IAIINBHEERLWML-UHFFFAOYSA-N 0 0 480.428 4.285 50 0 JIAARN CC(=O)N1CCC(C(=O)NCc2ccccc2)(N(C(=O)c2ccc(C)cc2)C2CCCC2)CC1 ZINC000033068362 519501932 /nfs/dbraw/zinc/50/19/32/519501932.db2.gz GFOZAIPPVMXZGF-UHFFFAOYSA-N 0 0 461.606 4.077 50 0 JIAARN CC(C)C(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@H]2C(=O)N2CCCC2)cc1 ZINC000036215362 519523548 /nfs/dbraw/zinc/52/35/48/519523548.db2.gz FLADOXKMHAVDLB-YADHBBJMSA-N 0 0 453.514 4.105 50 0 JIAARN CC(C)C(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)N2CCCC2)cc1 ZINC000036215369 519524751 /nfs/dbraw/zinc/52/47/51/519524751.db2.gz FLADOXKMHAVDLB-VXKWHMMOSA-N 0 0 453.514 4.105 50 0 JIAARN CC(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C[C@H]1CCCO1 ZINC000036120564 519575591 /nfs/dbraw/zinc/57/55/91/519575591.db2.gz BGHDYSNAVHJGSV-KNQAVFIVSA-N 0 0 488.625 4.446 50 0 JIAARN CC(=O)N1CCN(c2nc3nn(-c4ccc(Cl)cc4)c(N)c3c(-c3cccc(Cl)c3)n2)CC1 ZINC000037360976 519594176 /nfs/dbraw/zinc/59/41/76/519594176.db2.gz KBBFZSMVZSZMQZ-UHFFFAOYSA-N 0 0 482.375 4.040 50 0 JIAARN CC(C)CCNC(=O)[C@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000021864690 519661544 /nfs/dbraw/zinc/66/15/44/519661544.db2.gz WKORMFPCKIXZPN-SANMLTNESA-N 0 0 463.534 4.054 50 0 JIAARN CC(C)CCNC(=O)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000008814200 519661913 /nfs/dbraw/zinc/66/19/13/519661913.db2.gz FZFAPRJLXXEFKC-UHFFFAOYSA-N 0 0 480.634 4.493 50 0 JIAARN CC(=O)NCCNC(=O)c1c(=O)cc(C)n2c1C[C@H](c1ccccc1Cl)Sc1ccccc1-2 ZINC000014973406 519666462 /nfs/dbraw/zinc/66/64/62/519666462.db2.gz YPCGIHAZNFGAGZ-HSZRJFAPSA-N 0 0 482.005 4.055 50 0 JIAARN CC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000033069441 519701918 /nfs/dbraw/zinc/70/19/18/519701918.db2.gz LYMTZFDMWHDTPZ-UHFFFAOYSA-N 0 0 465.985 4.325 50 0 JIAARN CC(=O)Nc1c2cc(F)ccc2n2c1C(=O)N(Cc1ccc(F)cc1)[C@](C)(C(=O)NC1CCCC1)C2 ZINC000021866365 519702483 /nfs/dbraw/zinc/70/24/83/519702483.db2.gz INRWLCWDWOSHLI-MHZLTWQESA-N 0 0 494.542 4.351 50 0 JIAARN CC(=O)Nc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(Br)o4)C3)n2)cc1 ZINC000033289531 519708597 /nfs/dbraw/zinc/70/85/97/519708597.db2.gz GFYSFDKRSHHABV-CQSZACIVSA-N 0 0 459.300 4.070 50 0 JIAARN CC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)c1=O ZINC000014994805 519708689 /nfs/dbraw/zinc/70/86/89/519708689.db2.gz BBUFLENYMCOKPP-NRFANRHFSA-N 0 0 478.515 4.120 50 0 JIAARN CC(=O)Nc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4Br)C3)n2)cc1 ZINC000033289622 519708745 /nfs/dbraw/zinc/70/87/45/519708745.db2.gz NMXQLCZWQJWRAQ-INIZCTEOSA-N 0 0 469.339 4.477 50 0 JIAARN CC(C)CN(CC(=O)N1CC(=O)N(c2ccc(F)cc2)C1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000016613295 519709771 /nfs/dbraw/zinc/70/97/71/519709771.db2.gz KFOPEFSVTSVJHR-UHFFFAOYSA-N 0 0 453.558 4.054 50 0 JIAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC1CC1 ZINC000036123409 519710167 /nfs/dbraw/zinc/71/01/67/519710167.db2.gz XPWDKNGIHHRVMP-NRFANRHFSA-N 0 0 459.587 4.222 50 0 JIAARN CC(C)NC(=O)c1ccc2c(c1)nc(SCc1ccccc1F)n(C[C@@H]1CCCO1)c2=O ZINC000033269195 519718040 /nfs/dbraw/zinc/71/80/40/519718040.db2.gz LVCQPGUNXSYPNT-SFHVURJKSA-N 0 0 455.555 4.145 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccco4)n23)cc1 ZINC000033330649 519722925 /nfs/dbraw/zinc/72/29/25/519722925.db2.gz AVIZZIQZVDBZNY-UHFFFAOYSA-N 0 0 458.503 4.227 50 0 JIAARN CC(C)CNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)CC1 ZINC000013357263 519733369 /nfs/dbraw/zinc/73/33/69/519733369.db2.gz RECMBSJRRSVVNM-UHFFFAOYSA-N 0 0 499.677 4.409 50 0 JIAARN CC(C)CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000045900207 519735809 /nfs/dbraw/zinc/73/58/09/519735809.db2.gz WDUOEBXEDAGSBM-UHFFFAOYSA-N 0 0 475.976 4.169 50 0 JIAARN CC(C)CNC(=O)[C@@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000036209840 519739532 /nfs/dbraw/zinc/73/95/32/519739532.db2.gz ORJMUUWPBHKTFW-VWLOTQADSA-N 0 0 484.040 4.082 50 0 JIAARN CC(C)Oc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1 ZINC000019860504 519780886 /nfs/dbraw/zinc/78/08/86/519780886.db2.gz VOZWMRYXZTZUGF-GOSISDBHSA-N 0 0 450.988 4.308 50 0 JIAARN CC(C)Oc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 ZINC000064985412 519780905 /nfs/dbraw/zinc/78/09/05/519780905.db2.gz WYFRFTGHAXAPIT-QHCPKHFHSA-N 0 0 452.532 4.069 50 0 JIAARN CC(C)Oc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(F)cc2)n3C)cc1 ZINC000009249861 519782081 /nfs/dbraw/zinc/78/20/81/519782081.db2.gz JAXVAHODAXHXPI-LJQANCHMSA-N 0 0 453.539 4.473 50 0 JIAARN CC(C)[C@H](NS(=O)(=O)c1cccc2cccnc21)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000008605847 519821245 /nfs/dbraw/zinc/82/12/45/519821245.db2.gz ZGNPVFMCAFUZMQ-SFHVURJKSA-N 0 0 467.469 4.075 50 0 JIAARN CC(C)c1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccc(Br)cc4)nc23)cc1 ZINC000033308949 519838353 /nfs/dbraw/zinc/83/83/53/519838353.db2.gz XFYULXPZYZEVMG-UHFFFAOYSA-N 0 0 482.338 4.208 50 0 JIAARN CCCNC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3c(F)cccc3Cl)c2=O)CC1 ZINC000012414387 519866742 /nfs/dbraw/zinc/86/67/42/519866742.db2.gz XJVIZWXDISZYJC-UHFFFAOYSA-N 0 0 492.016 4.398 50 0 JIAARN CCCC(=O)N1CCN(c2oc(-c3ccc(Cl)cc3)nc2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000044974660 519869212 /nfs/dbraw/zinc/86/92/12/519869212.db2.gz BECJMIRAOUTPAK-UHFFFAOYSA-N 0 0 491.972 4.416 50 0 JIAARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2Cl)CC1 ZINC000008904602 519869256 /nfs/dbraw/zinc/86/92/56/519869256.db2.gz PPCBTTOBQSOKMF-UHFFFAOYSA-N 0 0 475.973 4.067 50 0 JIAARN CCCC(=O)N1CCN(c2oc(-c3ccccc3Cl)nc2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000044974668 519869279 /nfs/dbraw/zinc/86/92/79/519869279.db2.gz BFJPTEKTGGVKNP-UHFFFAOYSA-N 0 0 491.972 4.416 50 0 JIAARN CC(C)c1nc2cccnc2n1CCN1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000033139850 519869692 /nfs/dbraw/zinc/86/96/92/519869692.db2.gz UHGBTEWWZJTUGI-UHFFFAOYSA-N 0 0 471.403 4.167 50 0 JIAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)CC1CC1 ZINC000036122520 519882842 /nfs/dbraw/zinc/88/28/42/519882842.db2.gz DTXPRSCVLLSDBQ-FQEVSTJZSA-N 0 0 471.623 4.093 50 0 JIAARN CCCNC(=O)N(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1 ZINC000036122371 519883188 /nfs/dbraw/zinc/88/31/88/519883188.db2.gz XZZJCWVHPYKSLK-OAQYLSRUSA-N 0 0 459.612 4.093 50 0 JIAARN CC(C)c1nn2c(nc(COC(=O)c3cccc(NC(=O)CCc4ccccc4)c3)cc2=O)s1 ZINC000008607260 519883697 /nfs/dbraw/zinc/88/36/97/519883697.db2.gz XNKZGFAAXSLTSP-UHFFFAOYSA-N 0 0 476.558 4.203 50 0 JIAARN CCCNC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036213359 519889410 /nfs/dbraw/zinc/88/94/10/519889410.db2.gz JQIAIYPSWZQKMT-QFIPXVFZSA-N 0 0 489.538 4.191 50 0 JIAARN CCCNC(=O)c1ccc2c(c1)nc(SCc1ccc(C)cc1)n(C[C@H]1CCCO1)c2=O ZINC000012415098 519901035 /nfs/dbraw/zinc/90/10/35/519901035.db2.gz BVJMJWWDDBKCIC-HXUWFJFHSA-N 0 0 451.592 4.316 50 0 JIAARN CCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000002879653 519905412 /nfs/dbraw/zinc/90/54/12/519905412.db2.gz DSHVJTNAHKCULB-UHFFFAOYSA-N 0 0 492.812 4.191 50 0 JIAARN CCCCCCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2C)C1 ZINC000034900532 519950922 /nfs/dbraw/zinc/95/09/22/519950922.db2.gz GDISKVGHAOFGAT-GMKZXUHWSA-N 0 0 455.643 4.361 50 0 JIAARN CCCCCCNC(=O)CSc1nc2ccccc2c(=O)n1CCCn1cc(Cl)c(C)n1 ZINC000013960864 520085379 /nfs/dbraw/zinc/08/53/79/520085379.db2.gz GYZPDRNFKBVDPK-UHFFFAOYSA-N 0 0 476.046 4.434 50 0 JIAARN CCOC[C@@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000036303668 520090739 /nfs/dbraw/zinc/09/07/39/520090739.db2.gz HRCYCVVENCRPRX-QFIPXVFZSA-N 0 0 474.001 4.472 50 0 JIAARN CCCCCCOc1ccc(-c2nc3s/c(=C/c4cc(OC)ccc4OC)c(=O)n3n2)cc1 ZINC000033168286 520102263 /nfs/dbraw/zinc/10/22/63/520102263.db2.gz AGGIPTXNALWHOI-CJLVFECKSA-N 0 0 465.575 4.342 50 0 JIAARN CCCCCCn1c(SCC(=O)NCCOc2ccccc2OC)nc2ccccc2c1=O ZINC000027125023 520139190 /nfs/dbraw/zinc/13/91/90/520139190.db2.gz MRTBATZCLFZVIK-UHFFFAOYSA-N 0 0 469.607 4.273 50 0 JIAARN CCCCCOc1ccc(-c2nc3s/c(=C/c4ccc(OCC)c(OC)c4)c(=O)n3n2)cc1 ZINC000033168258 520247004 /nfs/dbraw/zinc/24/70/04/520247004.db2.gz DZGUXOTYUJDSTQ-CJLVFECKSA-N 0 0 465.575 4.342 50 0 JIAARN CCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc1OC ZINC000016753555 520258856 /nfs/dbraw/zinc/25/88/56/520258856.db2.gz VSVNCHDOBAQGGU-QHCPKHFHSA-N 0 0 451.519 4.298 50 0 JIAARN CC1(C)CC(=O)c2cn(-c3ccccc3)c(=O)c(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1 ZINC000065000626 520276867 /nfs/dbraw/zinc/27/68/67/520276867.db2.gz ZPGSONYQNGHOFS-UHFFFAOYSA-N 0 0 473.548 4.094 50 0 JIAARN CCCOc1ccc(CN(C(=O)c2ccccc2Br)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000016741688 520346338 /nfs/dbraw/zinc/34/63/38/520346338.db2.gz RIEOARXYCFWWHQ-KRWDZBQOSA-N 0 0 466.397 4.067 50 0 JIAARN CCCOc1ccc(CNC(=O)C2CCN(c3ccc4nnc(-c5ccccc5C)n4n3)CC2)cc1 ZINC000033260205 520353815 /nfs/dbraw/zinc/35/38/15/520353815.db2.gz NZGMEOLTEXIYGZ-UHFFFAOYSA-N 0 0 484.604 4.421 50 0 JIAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000016680231 520362289 /nfs/dbraw/zinc/36/22/89/520362289.db2.gz YVUKTMXFCRFVMC-XMMPIXPASA-N 0 0 486.524 4.013 50 0 JIAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCC(CCc4ccc(OC)cc4OC)CC3)C2=O)cc1 ZINC000018220123 520385803 /nfs/dbraw/zinc/38/58/03/520385803.db2.gz AIQOXLPHNJHLNE-VWLOTQADSA-N 0 0 480.605 4.469 50 0 JIAARN CCOC(=O)/C=C\S/C=C(\C)N1CCn2c(C(=O)c3ccccc3)cc(C(=O)OCC)c21 ZINC000012338453 520403063 /nfs/dbraw/zinc/40/30/63/520403063.db2.gz AJRYBUNEZLQVGD-UGCQAGLLSA-N 0 0 454.548 4.387 50 0 JIAARN CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc21 ZINC000033129764 520462319 /nfs/dbraw/zinc/46/23/19/520462319.db2.gz FECNGXDLKWQNQU-UHFFFAOYSA-N 0 0 495.689 4.050 50 0 JIAARN 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/nfs/dbraw/zinc/01/20/97/524012097.db2.gz RYVDBXAIDVZWDL-MRXNPFEDSA-N 0 0 474.583 4.060 50 0 JIAARN CN(C)C(=O)c1cn(CC2CCCCC2)cc(C(=O)NCc2csc(Cc3ccccc3)n2)c1=O ZINC000012218027 524031721 /nfs/dbraw/zinc/03/17/21/524031721.db2.gz YXLHATMRQGXXPU-UHFFFAOYSA-N 0 0 492.645 4.108 50 0 JIAARN COCCOc1cc(NC(=O)[C@@](C)(O)CSc2ccccc2C(=O)OC)c(Cl)cc1Cl ZINC000008873371 524040887 /nfs/dbraw/zinc/04/08/87/524040887.db2.gz ZUCYHBMJOYCXLD-NRFANRHFSA-N 0 0 488.389 4.287 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5ccc(F)cc5)cc34)CC2)cc1 ZINC000033266517 524046734 /nfs/dbraw/zinc/04/67/34/524046734.db2.gz AUOZZFJWNVVEEC-UHFFFAOYSA-N 0 0 459.525 4.077 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3nccnc3Oc3ccccc3C)CC2)c(OC)c1 ZINC000033288262 524046813 /nfs/dbraw/zinc/04/68/13/524046813.db2.gz RZLAOPOFNYQDHI-UHFFFAOYSA-N 0 0 462.550 4.127 50 0 JIAARN COc1ccc(CNC(=O)CCc2c(C)nc3cc(-c4ccc(OC)cc4OC)nn3c2C)cc1 ZINC000008598782 524048034 /nfs/dbraw/zinc/04/80/34/524048034.db2.gz ZQFVNRZRVNNIGB-UHFFFAOYSA-N 0 0 474.561 4.288 50 0 JIAARN CCc1ccc2nc(NC(=O)c3ccc(OC)c(S(=O)(=O)NC4CCCC4)c3)sc2c1 ZINC000002633339 524060239 /nfs/dbraw/zinc/06/02/39/524060239.db2.gz ZECCVUDKKLLAHI-UHFFFAOYSA-N 0 0 459.593 4.341 50 0 JIAARN COc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2Cc2cc(F)cc(F)c2)cc1 ZINC000065074980 524063443 /nfs/dbraw/zinc/06/34/43/524063443.db2.gz JQNQYVLYZIVDBK-AREMUKBSSA-N 0 0 450.485 4.247 50 0 JIAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4n(Cc4ccc(C)cc4)c3=O)C2)cc1 ZINC000022599659 524064457 /nfs/dbraw/zinc/06/44/57/524064457.db2.gz MCTDAHUDXAFTQW-DEOSSOPVSA-N 0 0 496.611 4.295 50 0 JIAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)c(OC)c1 ZINC000033169022 524064570 /nfs/dbraw/zinc/06/45/70/524064570.db2.gz KIUNVUUYSFINRG-FQEVSTJZSA-N 0 0 462.550 4.127 50 0 JIAARN COc1ccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1 ZINC000033129986 524066885 /nfs/dbraw/zinc/06/68/85/524066885.db2.gz DDXNCNRPVGSAEC-UHFFFAOYSA-N 0 0 450.560 4.077 50 0 biogenic JIAARN CNC(=O)NC(=O)[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1 ZINC000009962128 524078004 /nfs/dbraw/zinc/07/80/04/524078004.db2.gz LMJHLAJATXEANS-NRFANRHFSA-N 0 0 475.549 4.422 50 0 JIAARN Cc1ccc(C)c(Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC4CCCC4)cc3)c2=O)c1 ZINC000045900000 524111950 /nfs/dbraw/zinc/11/19/50/524111950.db2.gz QDHSYUJJSDIETA-UHFFFAOYSA-N 0 0 481.596 4.419 50 0 JIAARN C[C@@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CCN1CCOCC1)C(=O)c1ccco1 ZINC000036312716 524120773 /nfs/dbraw/zinc/12/07/73/524120773.db2.gz HJEKVNNASMLTMX-OAQYLSRUSA-N 0 0 478.593 4.288 50 0 JIAARN COc1cccc([C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054400 524123241 /nfs/dbraw/zinc/12/32/41/524123241.db2.gz UMEGTPASOKHJLM-XZOQPEGZSA-N 0 0 462.521 4.015 50 0 JIAARN Cc1ccc(C)c(N2CCN(c3nccnc3SCC(=O)Nc3ccccc3F)CC2)c1 ZINC000033292858 524129695 /nfs/dbraw/zinc/12/96/95/524129695.db2.gz DAZHONSARBOVCA-UHFFFAOYSA-N 0 0 451.571 4.290 50 0 JIAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3Br)c2=O)c1C ZINC000067218548 524138117 /nfs/dbraw/zinc/13/81/17/524138117.db2.gz QHUOFGNYTSZDHM-UHFFFAOYSA-N 0 0 484.375 4.232 50 0 JIAARN Cc1ccc(C)c(NC(=O)Cn2c(=O)cc(C(=O)N3CCc4ccccc4C3)c3ccccc32)c1 ZINC000012447278 524139934 /nfs/dbraw/zinc/13/99/34/524139934.db2.gz KCMNKDJEVZSQSP-UHFFFAOYSA-N 0 0 465.553 4.456 50 0 biogenic,in-vitro JIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccoc3cc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000033331935 524140584 /nfs/dbraw/zinc/14/05/84/524140584.db2.gz NWKYQMSGKAVHDE-NWJQHBQLSA-N 0 0 463.534 4.073 50 0 JIAARN COc1ccc(C[C@@]2(CCC(=O)NCCc3nc(-c4ccccc4)cs3)CCC(=O)N2)c(F)c1 ZINC000012204573 524143709 /nfs/dbraw/zinc/14/37/09/524143709.db2.gz PQKFWAASNVIINS-AREMUKBSSA-N 0 0 481.593 4.288 50 0 JIAARN Cc1ccc(C)c(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NC(C)C)o2)C(=O)CO3)c1 ZINC000037511525 524168781 /nfs/dbraw/zinc/16/87/81/524168781.db2.gz AECINXDHFFNMIY-UHFFFAOYSA-N 0 0 476.529 4.222 50 0 JIAARN Cc1cccc(C(=O)N2CCC([C@@]3(CCC(C)C)NC(=O)N(Cc4ccccn4)C3=O)CC2)c1C ZINC000014887102 524169197 /nfs/dbraw/zinc/16/91/97/524169197.db2.gz DXFXYLCECARLRI-MUUNZHRXSA-N 0 0 476.621 4.478 50 0 JIAARN Cc1cccc(C(=O)N2CCC([C@@H](NC(=O)c3ccccc3Cl)C(=O)NCC(C)C)CC2)c1 ZINC000036209914 524169801 /nfs/dbraw/zinc/16/98/01/524169801.db2.gz MAXBJUHNRFVQNN-HSZRJFAPSA-N 0 0 470.013 4.071 50 0 JIAARN Cc1cccc(C(=O)N2CCC([C@]3(CCC(C)C)NC(=O)N(Cc4ccccn4)C3=O)CC2)c1C ZINC000014887099 524170270 /nfs/dbraw/zinc/17/02/70/524170270.db2.gz DXFXYLCECARLRI-NDEPHWFRSA-N 0 0 476.621 4.478 50 0 JIAARN COc1cccc([C@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054401 524181328 /nfs/dbraw/zinc/18/13/28/524181328.db2.gz UMEGTPASOKHJLM-DHIUTWEWSA-N 0 0 462.521 4.015 50 0 JIAARN C[C@@H](C(=O)NCCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000065062406 524184864 /nfs/dbraw/zinc/18/48/64/524184864.db2.gz VLVBUGZZBUEDQL-MRXNPFEDSA-N 0 0 499.496 4.296 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)c1 ZINC000033273296 524188108 /nfs/dbraw/zinc/18/81/08/524188108.db2.gz OAEUZDCCPNBKFK-UHFFFAOYSA-N 0 0 474.583 4.115 50 0 JIAARN COc1ccc(Cl)cc1C(=O)Oc1coc(CSc2nnc(NC(=O)C3CC3)s2)cc1=O ZINC000016047835 524199147 /nfs/dbraw/zinc/19/91/47/524199147.db2.gz TUKCXBZHWQSACU-UHFFFAOYSA-N 0 0 493.950 4.013 50 0 JIAARN C[C@@H](C(=O)NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000065062439 524208487 /nfs/dbraw/zinc/20/84/87/524208487.db2.gz SSZBVEUPZRMIAL-CYBMUJFWSA-N 0 0 489.432 4.003 50 0 JIAARN Cc1cc(C)c(-c2cc(NC(=O)CN3CCN(C[C@@H]4CCCO4)CC3)n(-c3ccccc3)n2)cc1C ZINC000022790124 524210818 /nfs/dbraw/zinc/21/08/18/524210818.db2.gz CKINCBFEQIEXNY-VWLOTQADSA-N 0 0 487.648 4.200 50 0 JIAARN Cc1ccc(C)n1-c1cccnc1N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000033034531 524220021 /nfs/dbraw/zinc/22/00/21/524220021.db2.gz FTLPGTPBACDTTR-UHFFFAOYSA-N 0 0 461.585 4.193 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)c1cc2ccccc2o/c1=N\NS(=O)(=O)c1ccccc1 ZINC000012437698 524239674 /nfs/dbraw/zinc/23/96/74/524239674.db2.gz LZPJRXBOZQCOHG-RWEWTDSWSA-N 0 0 483.933 4.141 50 0 JIAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000045913299 524245052 /nfs/dbraw/zinc/24/50/52/524245052.db2.gz FEFMCCGZKWGGIM-MRXNPFEDSA-N 0 0 490.025 4.024 50 0 JIAARN COc1ccc(Cl)cc1S(=O)(=O)c1c(C(=O)N2CCSCC2)cnc2ccc(C)cc21 ZINC000033249375 524252690 /nfs/dbraw/zinc/25/26/90/524252690.db2.gz LGJWWLUITNDNTP-UHFFFAOYSA-N 0 0 477.007 4.227 50 0 JIAARN COc1ccc(Cn2c(SCC(=O)NC3CCCC3)nc3c4cccnc4sc3c2=O)cc1 ZINC000045923170 524258367 /nfs/dbraw/zinc/25/83/67/524258367.db2.gz GMABPIOEJJXWKI-UHFFFAOYSA-N 0 0 480.615 4.214 50 0 JIAARN COc1ccc(Cn2cnc3c4cc(F)ccc4n(CC(=O)Nc4ccc(OC)cc4)c3c2=O)cc1 ZINC000016845270 524263523 /nfs/dbraw/zinc/26/35/23/524263523.db2.gz HEKVDXXXRHGSSF-UHFFFAOYSA-N 0 0 486.503 4.195 50 0 JIAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(CC(=O)Nc4ccc(OC)cc4)c3c2=O)cc1 ZINC000016841532 524263536 /nfs/dbraw/zinc/26/35/36/524263536.db2.gz VVEMQMDHIXKFPI-UHFFFAOYSA-N 0 0 482.540 4.364 50 0 JIAARN COc1ccccc1-c1ccc(C(=O)N2CCCC2)c(N2CCN(c3ccccc3F)CC2)n1 ZINC000020363794 524269255 /nfs/dbraw/zinc/26/92/55/524269255.db2.gz WZVOOIFILNQHEF-UHFFFAOYSA-N 0 0 460.553 4.459 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000036476326 524273752 /nfs/dbraw/zinc/27/37/52/524273752.db2.gz PWVWGLDQYYMBCH-UHFFFAOYSA-N 0 0 480.996 4.327 50 0 JIAARN COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c1=O ZINC000067217982 524298263 /nfs/dbraw/zinc/29/82/63/524298263.db2.gz LHFYJZLZOSOENF-UHFFFAOYSA-N 0 0 476.341 4.168 50 0 JIAARN C[C@@H]1CCC[C@@H](NC(=O)c2cnc3ccc(S(=O)(=O)Nc4ccccc4F)cc3c2O)[C@@H]1C ZINC000009833851 524311902 /nfs/dbraw/zinc/31/19/02/524311902.db2.gz NULDWJDISQXNFP-STXHMFSFSA-N 0 0 471.554 4.023 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCc3c(c(COCc4ccc(Cl)cc4)nn3C)C2)cc1C ZINC000033140434 524320589 /nfs/dbraw/zinc/32/05/89/524320589.db2.gz UYWRBCWBDBGLOA-UHFFFAOYSA-N 0 0 474.026 4.463 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@@H](C(=O)NCC(C)C)C3)c2)c(C)c1 ZINC000021710752 524323726 /nfs/dbraw/zinc/32/37/26/524323726.db2.gz XXLRJGYTUDCNHC-JOCHJYFZSA-N 0 0 485.650 4.037 50 0 JIAARN COc1ccccc1C(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000034921381 524340020 /nfs/dbraw/zinc/34/00/20/524340020.db2.gz UUYMZVNOGDLXSI-UHFFFAOYSA-N 0 0 455.507 4.407 50 0 JIAARN COc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000012462234 524364724 /nfs/dbraw/zinc/36/47/24/524364724.db2.gz MPJYNGJEQKTAJF-UHFFFAOYSA-N 0 0 454.548 4.155 50 0 JIAARN COc1ccc(N(CCC(N)=O)C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000021761507 524365169 /nfs/dbraw/zinc/36/51/69/524365169.db2.gz XJCBFXQKMLAPLD-UHFFFAOYSA-N 0 0 468.579 4.043 50 0 JIAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(-n4cncn4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000024979400 524387915 /nfs/dbraw/zinc/38/79/15/524387915.db2.gz VEZMLOCVKLILPK-SHQCIBLASA-N 0 0 497.555 4.408 50 0 JIAARN COc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=S)Nc3ccccc3)C2=O)cc1 ZINC000016677593 524393173 /nfs/dbraw/zinc/39/31/73/524393173.db2.gz ITAZFAREMMQTPO-QHCPKHFHSA-N 0 0 459.571 4.269 50 0 JIAARN COc1ccccc1CCC(=O)NCc1nnc(SCc2ccncc2)n1-c1ccc(F)cc1 ZINC000014995672 524394685 /nfs/dbraw/zinc/39/46/85/524394685.db2.gz IUBVORHKYGBBID-UHFFFAOYSA-N 0 0 477.565 4.351 50 0 JIAARN COc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021851082 524397077 /nfs/dbraw/zinc/39/70/77/524397077.db2.gz YIYWFNAACBIAHE-VWLOTQADSA-N 0 0 464.591 4.488 50 0 JIAARN COc1ccc(N2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021853682 524398214 /nfs/dbraw/zinc/39/82/14/524398214.db2.gz MHCLPMXOWQJNLV-NDEPHWFRSA-N 0 0 466.541 4.294 50 0 JIAARN Cc1cccc(CN2CCN(C3CCN(S(=O)(=O)c4ccc(CC(C)C)cc4)CC3)C2=O)c1 ZINC000064950917 524398618 /nfs/dbraw/zinc/39/86/18/524398618.db2.gz SBXYGRDNPYERHU-UHFFFAOYSA-N 0 0 469.651 4.284 50 0 JIAARN Cc1cc(C)cc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 ZINC000020436939 524407701 /nfs/dbraw/zinc/40/77/01/524407701.db2.gz VZISMKUWDOJRMM-MOPGFXCFSA-N 0 0 497.564 4.036 50 0 JIAARN Cc1ccc(CN(CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCOCC3)co2)cc1 ZINC000036063973 524415045 /nfs/dbraw/zinc/41/50/45/524415045.db2.gz OULOZNOEDARPJK-UHFFFAOYSA-N 0 0 458.562 4.182 50 0 JIAARN Cc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccccc2F)cc1 ZINC000027580086 524421868 /nfs/dbraw/zinc/42/18/68/524421868.db2.gz MBRMZYNWLKWSKS-UHFFFAOYSA-N 0 0 494.548 4.380 50 0 JIAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccc(F)cc1Cl ZINC000033255757 524431843 /nfs/dbraw/zinc/43/18/43/524431843.db2.gz WRQNLBUZFSLODF-IAGOWNOFSA-N 0 0 464.946 4.264 50 0 JIAARN Cc1cc(C)cc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000064930977 524457398 /nfs/dbraw/zinc/45/73/98/524457398.db2.gz LZAROOMIZNZILD-SFHVURJKSA-N 0 0 460.556 4.072 50 0 JIAARN Cc1cc(C)cc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4cccc(F)c4)s3)CC2)c1 ZINC000033114163 524457932 /nfs/dbraw/zinc/45/79/32/524457932.db2.gz VBBSDYNFOSZADG-UHFFFAOYSA-N 0 0 474.583 4.115 50 0 JIAARN COc1ccccc1CNC(=O)C1CCN(c2cc(C)nc3cc(-c4ccc(F)cc4)nn32)CC1 ZINC000033275033 524459430 /nfs/dbraw/zinc/45/94/30/524459430.db2.gz GPWKMAFRERYKSS-UHFFFAOYSA-N 0 0 473.552 4.385 50 0 JIAARN COc1ccc(NC(=O)C2(c3ccccc3)CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000016392948 524470315 /nfs/dbraw/zinc/47/03/15/524470315.db2.gz OLGGQFKROJVXPZ-UHFFFAOYSA-N 0 0 450.560 4.056 50 0 JIAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccc(F)cc1 ZINC000021854405 524475622 /nfs/dbraw/zinc/47/56/22/524475622.db2.gz PZLFCXCGDLWIPG-GDLZYMKVSA-N 0 0 498.558 4.429 50 0 JIAARN COc1ccccc1CNc1nc(CN2CCN(C(=O)c3ccco3)CC2)nc2c(C)cccc12 ZINC000012333173 524491962 /nfs/dbraw/zinc/49/19/62/524491962.db2.gz RZNZFUDGXYKDQS-UHFFFAOYSA-N 0 0 471.561 4.110 50 0 JIAARN Cc1ccc(CNC(=O)CN2c3ccccc3S(=O)(=O)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000012414822 524504534 /nfs/dbraw/zinc/50/45/34/524504534.db2.gz WENDKYCMDDEJOJ-UHFFFAOYSA-N 0 0 463.559 4.064 50 0 JIAARN Cc1ccc(CNC(=O)Cn2c(=O)c3c(nc2-c2ccc(C)cc2)CN(Cc2ccccc2)CC3)cc1 ZINC000035456374 524510878 /nfs/dbraw/zinc/51/08/78/524510878.db2.gz GAWHDQZOLGNICK-UHFFFAOYSA-N 0 0 492.623 4.402 50 0 JIAARN COc1ccc(NC(=O)CSc2ncnc3nc(N4CCCCCC4)sc32)cc1OC ZINC000064944168 524513089 /nfs/dbraw/zinc/51/30/89/524513089.db2.gz GIZSVCYGFZVQAE-UHFFFAOYSA-N 0 0 459.597 4.215 50 0 JIAARN Cc1ccc(CNC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)c(=O)c3ccc(C)nc32)cc1 ZINC000021655250 524514151 /nfs/dbraw/zinc/51/41/51/524514151.db2.gz PRQYLOJXICTRON-UHFFFAOYSA-N 0 0 479.540 4.355 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(C)cc2)cc1OC ZINC000002444935 524514224 /nfs/dbraw/zinc/51/42/24/524514224.db2.gz SECAYNCHBAHMHK-UHFFFAOYSA-N 0 0 461.547 4.386 50 0 JIAARN COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)C1=O ZINC000012879664 524514546 /nfs/dbraw/zinc/51/45/46/524514546.db2.gz IBRWYAGHXJAGPC-VKGTZQKMSA-N 0 0 471.557 4.093 50 0 JIAARN Cc1ccc(CNC(=O)N2CCC(c3nnc(C(=O)Nc4cccc(F)c4)s3)CC2)cc1 ZINC000033114090 524518348 /nfs/dbraw/zinc/51/83/48/524518348.db2.gz GIGFQWDLZUZNTH-UHFFFAOYSA-N 0 0 453.543 4.327 50 0 JIAARN COc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4cccc(Cl)c4)no3)c2=O)cc1OC ZINC000012415517 524527627 /nfs/dbraw/zinc/52/76/27/524527627.db2.gz WBBAMAPNPBEFTC-UHFFFAOYSA-N 0 0 494.935 4.491 50 0 JIAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000012781364 524529537 /nfs/dbraw/zinc/52/95/37/524529537.db2.gz IUOCAUKDEHPGSS-KRWDZBQOSA-N 0 0 468.541 4.244 50 0 JIAARN C[C@@H](CCc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000017116049 524532820 /nfs/dbraw/zinc/53/28/20/524532820.db2.gz UHMIHFZIYCPEHS-INIZCTEOSA-N 0 0 470.422 4.031 50 0 JIAARN C[C@@H](CCc1ccccc1)NC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000064999949 524534604 /nfs/dbraw/zinc/53/46/04/524534604.db2.gz KWQWWAZAFIGQKY-IBGZPJMESA-N 0 0 484.643 4.187 50 0 JIAARN Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc4c(c3)CCN4C(=O)c3ccccc3)o2)n1 ZINC000064978192 524538647 /nfs/dbraw/zinc/53/86/47/524538647.db2.gz RHINGPWWFUYFHX-UHFFFAOYSA-N 0 0 454.530 4.274 50 0 JIAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)C2)cc1 ZINC000020416155 524541712 /nfs/dbraw/zinc/54/17/12/524541712.db2.gz FRDJMEZEKUFENJ-HSZRJFAPSA-N 0 0 467.573 4.140 50 0 JIAARN COc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c(OC)c1 ZINC000033273096 524541818 /nfs/dbraw/zinc/54/18/18/524541818.db2.gz VZAWETAEWKUJCY-UHFFFAOYSA-N 0 0 467.551 4.219 50 0 JIAARN COc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4cccc(F)c4)s3)CC2)c(OC)c1 ZINC000033114088 524542346 /nfs/dbraw/zinc/54/23/46/524542346.db2.gz MFUGUXHREPPQCG-UHFFFAOYSA-N 0 0 485.541 4.358 50 0 JIAARN COc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)cc1OC ZINC000033113389 524543670 /nfs/dbraw/zinc/54/36/70/524543670.db2.gz BUCRGQNBAMJGKR-CQSZACIVSA-N 0 0 485.541 4.358 50 0 JIAARN Cc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)cc1 ZINC000008791824 524548577 /nfs/dbraw/zinc/54/85/77/524548577.db2.gz UUJQROBTMIJLHN-VRUMLPLGSA-N 0 0 479.646 4.191 50 0 biogenic JIAARN Cc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000064972150 524552184 /nfs/dbraw/zinc/55/21/84/524552184.db2.gz CJUYPROOLBVZRS-HSZRJFAPSA-N 0 0 454.979 4.080 50 0 JIAARN COc1ccccc1N1CCN(CC(=O)N2CCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)CC1 ZINC000012462604 524555067 /nfs/dbraw/zinc/55/50/67/524555067.db2.gz GMBVFZFURTVBMD-VWLOTQADSA-N 0 0 458.606 4.000 50 0 JIAARN Cc1ccc(CNC(=O)c2ccc(-c3nc(CCN(C)C(=O)c4ccccc4F)no3)cc2)cc1 ZINC000033273560 524558308 /nfs/dbraw/zinc/55/83/08/524558308.db2.gz KPKVTCJSBCIHJX-UHFFFAOYSA-N 0 0 472.520 4.429 50 0 JIAARN Cc1ccc(CNC(=O)c2cccc(-n3ccnc3SCC(=O)Nc3ccc4c(c3)OCO4)c2)o1 ZINC000033265009 524561134 /nfs/dbraw/zinc/56/11/34/524561134.db2.gz AWQGGRCVLUPNMR-UHFFFAOYSA-N 0 0 490.541 4.163 50 0 JIAARN COc1ccccc1N1CCN(c2cc(SCC(=O)Nc3cc(C)ccc3C)ncn2)CC1 ZINC000049006763 524561543 /nfs/dbraw/zinc/56/15/43/524561543.db2.gz RKBCMQNSQRVDIT-UHFFFAOYSA-N 0 0 463.607 4.159 50 0 JIAARN Cc1ccc(CNC(=O)c2ccccc2CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000035458997 524563683 /nfs/dbraw/zinc/56/36/83/524563683.db2.gz BDIQIMKYJJLNPO-RUZDIDTESA-N 0 0 453.542 4.076 50 0 JIAARN Cc1cccc(N2CCN(c3nccnc3SCC(=O)N(C)c3ccc(F)cc3)CC2)c1C ZINC000021657091 524563731 /nfs/dbraw/zinc/56/37/31/524563731.db2.gz DBAOXMHYFWMNJP-UHFFFAOYSA-N 0 0 465.598 4.314 50 0 JIAARN COc1ccccc1NC(=O)CSc1cc(C)nc2c(-c3ccc(OC)c(OC)c3)cnn21 ZINC000033268935 524597279 /nfs/dbraw/zinc/59/72/79/524597279.db2.gz KVGDXJBWHXDQEP-UHFFFAOYSA-N 0 0 464.547 4.461 50 0 JIAARN COc1ccccc1NC(=O)CSc1nccnc1N1CCN(c2cccc(C)c2C)CC1 ZINC000021657040 524599700 /nfs/dbraw/zinc/59/97/00/524599700.db2.gz XHFZSSWUOPQLON-UHFFFAOYSA-N 0 0 463.607 4.159 50 0 JIAARN COc1ccccc1NC(=O)Cn1nc(-c2cccs2)c2sc(N3CCCCC3)nc2c1=O ZINC000023108895 524606034 /nfs/dbraw/zinc/60/60/34/524606034.db2.gz OZYAOUGNXPAOKU-UHFFFAOYSA-N 0 0 481.603 4.219 50 0 JIAARN COc1ccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1OC ZINC000033128149 524606791 /nfs/dbraw/zinc/60/67/91/524606791.db2.gz XYFFELUPQKGOBU-AWEZNQCLSA-N 0 0 459.955 4.331 50 0 JIAARN Cc1cccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CCc3ccccc3)c2=O)c1C ZINC000067292043 524608192 /nfs/dbraw/zinc/60/81/92/524608192.db2.gz SVNGQSVQSJFHDH-UHFFFAOYSA-N 0 0 467.525 4.408 50 0 JIAARN Cc1cccc(NC(=O)Cn2nc3ccc(SCc4ccc(Cl)cc4)nn3c2=O)c1C ZINC000045922681 524610671 /nfs/dbraw/zinc/61/06/71/524610671.db2.gz YEHGDAUOXXNELE-UHFFFAOYSA-N 0 0 453.955 4.092 50 0 JIAARN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)C2)cc1 ZINC000033250706 524613172 /nfs/dbraw/zinc/61/31/72/524613172.db2.gz WKCHTWHYEBLHMN-JNMQVBFRSA-N 0 0 499.564 4.341 50 0 JIAARN COc1ccc(NC(=O)c2c3c(cn(-c4ccc(F)cc4)c2=O)C(=O)CC(C)(C)C3)cc1OC ZINC000065000032 524623422 /nfs/dbraw/zinc/62/34/22/524623422.db2.gz ANULGYGKJYZJFB-UHFFFAOYSA-N 0 0 464.493 4.401 50 0 JIAARN COc1ccccc1NC(=S)N[C@@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000025761444 524632776 /nfs/dbraw/zinc/63/27/76/524632776.db2.gz RLQHDWBDXPDYIL-OAHLLOKOSA-N 0 0 450.750 4.247 50 0 JIAARN COc1ccc(NC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)c(OC)c1 ZINC000016635741 524635610 /nfs/dbraw/zinc/63/56/10/524635610.db2.gz VFFRVCWWZGDYFX-UHFFFAOYSA-N 0 0 487.622 4.121 50 0 JIAARN COc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cc2)cc1 ZINC000008985296 524635975 /nfs/dbraw/zinc/63/59/75/524635975.db2.gz SDXWEXOCVWFWHK-WIYYLYMNSA-N 0 0 457.530 4.496 50 0 JIAARN COc1ccc(NC(=O)c2ccc3nnc(SCC(=O)Nc4cc(F)ccc4C)n3c2)cc1 ZINC000033268183 524640284 /nfs/dbraw/zinc/64/02/84/524640284.db2.gz PNLCCNDEEVZPDV-UHFFFAOYSA-N 0 0 465.510 4.169 50 0 JIAARN Cc1cccc(NC(=O)[C@@H](C)n2nc(C)c3nn(-c4ccccc4)c(-n4cccc4)c3c2=O)c1C ZINC000033057889 524646005 /nfs/dbraw/zinc/64/60/05/524646005.db2.gz JMISOLUYQLTCDP-HXUWFJFHSA-N 0 0 466.545 4.498 50 0 JIAARN COc1ccc(NC(=O)c2ccccc2C(=O)c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000024750953 524646660 /nfs/dbraw/zinc/64/66/60/524646660.db2.gz RYSRMUGGKLGOAW-UHFFFAOYSA-N 0 0 484.599 4.415 50 0 JIAARN COc1ccccc1Nc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cs1 ZINC000037437851 524649537 /nfs/dbraw/zinc/64/95/37/524649537.db2.gz NNEZYYPSTVATSG-IBGZPJMESA-N 0 0 452.580 4.009 50 0 JIAARN Cc1ccc(CSc2nccc3c2ccn3CC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000033298594 524649946 /nfs/dbraw/zinc/64/99/46/524649946.db2.gz BQAOINQMCIKQGZ-UHFFFAOYSA-N 0 0 457.603 4.381 50 0 JIAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)Nc4ccc(OC)cc4OC)CC3)s2)cc1 ZINC000033273038 524659096 /nfs/dbraw/zinc/65/90/96/524659096.db2.gz LLEXHROYIULEPK-UHFFFAOYSA-N 0 0 497.577 4.228 50 0 JIAARN COc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4cc(OC)ccc4OC)C3)s2)cc1 ZINC000033272797 524659611 /nfs/dbraw/zinc/65/96/11/524659611.db2.gz ARBSIEMACWXCOP-HNNXBMFYSA-N 0 0 497.577 4.228 50 0 JIAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC(C)C)C(=O)NC(C)C ZINC000036122410 524686109 /nfs/dbraw/zinc/68/61/09/524686109.db2.gz BRWHLYSAEHYLIK-FQEVSTJZSA-N 0 0 473.639 4.338 50 0 JIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(c3ncccc3-n3cccc3)CC2)CC1 ZINC000033034574 524730674 /nfs/dbraw/zinc/73/06/74/524730674.db2.gz RVQFAXCMSSMVNA-UHFFFAOYSA-N 0 0 464.013 4.399 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)N1CCN(Cc2nc3cc(C(=O)N4CCCC4)ccc3n2C)CC1 ZINC000033275639 524748812 /nfs/dbraw/zinc/74/88/12/524748812.db2.gz CWWWNDLMXHPAEO-UHFFFAOYSA-N 0 0 495.027 4.121 50 0 JIAARN Cc1ccc(Cn2c(=O)c(N3CCC[C@@H](C(=O)Nc4ccc(F)cc4C)C3)nc3cccnc32)cc1 ZINC000033259716 524762948 /nfs/dbraw/zinc/76/29/48/524762948.db2.gz QPZWAMHQEFVRDW-OAQYLSRUSA-N 0 0 485.563 4.451 50 0 JIAARN Cc1ccc(Cn2c(=O)c3sccc3nc2N2CCC(C(=O)NCCC(C)C)CC2)cc1 ZINC000033302455 524764394 /nfs/dbraw/zinc/76/43/94/524764394.db2.gz VJYJICMGNBLIDG-UHFFFAOYSA-N 0 0 452.624 4.193 50 0 JIAARN Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cccc(Br)c3)c2=O)cc1C ZINC000067205700 524764802 /nfs/dbraw/zinc/76/48/02/524764802.db2.gz NFAWRNPCRVUKOJ-UHFFFAOYSA-N 0 0 498.402 4.291 50 0 JIAARN Cc1ccc(Cn2c(=O)c3ccccc3n(Cc3nc(-c4cccc(Cl)c4)no3)c2=O)cc1 ZINC000038487046 524765503 /nfs/dbraw/zinc/76/55/03/524765503.db2.gz ZNICTOPHHXNMFT-UHFFFAOYSA-N 0 0 458.905 4.272 50 0 JIAARN Cc1cccc(OCc2nnc(C(=O)Nc3cccc(C(=O)NCc4ccccn4)c3)s2)c1 ZINC000033027355 524767481 /nfs/dbraw/zinc/76/74/81/524767481.db2.gz SYKAPISXHCGFTA-UHFFFAOYSA-N 0 0 459.531 4.003 50 0 JIAARN Cc1cccc(OCc2nc(CN(CCN3CCOCC3)C(=O)c3ccc(F)cc3)cs2)c1C ZINC000036107123 524767849 /nfs/dbraw/zinc/76/78/49/524767849.db2.gz CUEHCPDHWMZABD-UHFFFAOYSA-N 0 0 483.609 4.453 50 0 JIAARN Cc1ccc(Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC4CCCC4)cc3)c2=O)cc1 ZINC000045900005 524769542 /nfs/dbraw/zinc/76/95/42/524769542.db2.gz YQYUFNMMXCPWCL-UHFFFAOYSA-N 0 0 467.569 4.110 50 0 JIAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC[C@@H](C(=O)NCc4cccs4)C3)c2=O)cc1 ZINC000022599789 524769978 /nfs/dbraw/zinc/76/99/78/524769978.db2.gz ZKZDOMNZZAPIEP-OAQYLSRUSA-N 0 0 472.614 4.348 50 0 JIAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC[C@@H](C(=O)NCc4ccccc4)C3)c2=O)cc1 ZINC000022599617 524771204 /nfs/dbraw/zinc/77/12/04/524771204.db2.gz HPWTXVYFMZMOBR-XMMPIXPASA-N 0 0 466.585 4.286 50 0 JIAARN COc1ccc(OC)c(-n2c(SCC(=O)Nc3ccc(C(C)=O)cc3)nnc2-c2ccncc2)c1 ZINC000014945371 524797153 /nfs/dbraw/zinc/79/71/53/524797153.db2.gz JNJONWJRNYKHRF-UHFFFAOYSA-N 0 0 489.557 4.280 50 0 JIAARN COc1ccc(OC)c(CNC(=O)c2cc3c(-c4ccc(OC)c(OC)c4)nn(C)c3s2)c1 ZINC000008596332 524834394 /nfs/dbraw/zinc/83/43/94/524834394.db2.gz GLIMOJSNTCFLLA-UHFFFAOYSA-N 0 0 467.547 4.266 50 0 JIAARN COc1ccc(OC)c(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021852039 524843600 /nfs/dbraw/zinc/84/36/00/524843600.db2.gz RECMGNAXYUQTQD-SANMLTNESA-N 0 0 468.598 4.066 50 0 JIAARN Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000046123958 524869810 /nfs/dbraw/zinc/86/98/10/524869810.db2.gz FWZNQCXHIZAOTI-AWEZNQCLSA-N 0 0 495.001 4.460 50 0 JIAARN Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(F)c(F)c2)s1 ZINC000064941389 524870900 /nfs/dbraw/zinc/87/09/00/524870900.db2.gz BMVKWVQXALQJQU-MRXNPFEDSA-N 0 0 482.509 4.042 50 0 JIAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C1 ZINC000017244578 524887502 /nfs/dbraw/zinc/88/75/02/524887502.db2.gz VQOQCPJIEANXSR-GJZGRUSLSA-N 0 0 451.386 4.368 50 0 JIAARN Cc1cc(Cl)ccc1NC(=O)CCc1nc(CSc2nnc(-c3cccnc3)o2)no1 ZINC000021721837 524892898 /nfs/dbraw/zinc/89/28/98/524892898.db2.gz NUUJKMGBZXBKDN-UHFFFAOYSA-N 0 0 456.915 4.340 50 0 JIAARN Cc1cc(Cl)ccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000006163571 524893118 /nfs/dbraw/zinc/89/31/18/524893118.db2.gz LPQOYBQHMVPGAM-QFIPXVFZSA-N 0 0 476.916 4.038 50 0 JIAARN Cc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1C ZINC000020437037 524895269 /nfs/dbraw/zinc/89/52/69/524895269.db2.gz PEGADRXPRROTHS-OALUTQOASA-N 0 0 497.564 4.036 50 0 JIAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036059539 524897177 /nfs/dbraw/zinc/89/71/77/524897177.db2.gz QVGBCPQZEZXEAF-BJKOFHAPSA-N 0 0 476.548 4.357 50 0 JIAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)NCCC(C)C)c1 ZINC000036045592 524915665 /nfs/dbraw/zinc/91/56/65/524915665.db2.gz JHNJMMDPFLDFOU-FGZHOGPDSA-N 0 0 458.986 4.375 50 0 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C[C@H](NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)c1ccccc1 ZINC000008933460 524996224 /nfs/dbraw/zinc/99/62/24/524996224.db2.gz MVVVBZPXOGWGIB-SFHVURJKSA-N 0 0 454.505 4.416 50 0 JIAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000014697337 525000886 /nfs/dbraw/zinc/00/08/86/525000886.db2.gz KNRIELFWOUJBNK-UHFFFAOYSA-N 0 0 476.558 4.051 50 0 JIAARN Cc1ccccc1-c1cc(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)c2cnn(C(C)C)c2n1 ZINC000040146787 525002263 /nfs/dbraw/zinc/00/22/63/525002263.db2.gz RZHAOPUVIOFJTK-HXUWFJFHSA-N 0 0 459.594 4.366 50 0 JIAARN Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4C)nn23)cc1Cl ZINC000008619513 525004038 /nfs/dbraw/zinc/00/40/38/525004038.db2.gz FGKCHOXBVKAZDZ-UHFFFAOYSA-N 0 0 453.955 4.025 50 0 JIAARN Cc1cc(I)ccc1NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000002881669 525013399 /nfs/dbraw/zinc/01/33/99/525013399.db2.gz MFYSMSDPXGUVSV-LBPRGKRZSA-N 0 0 492.766 4.046 50 0 JIAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3nc(CN4CCOCC4)cs3)cc2)o1 ZINC000022702011 525015525 /nfs/dbraw/zinc/01/55/25/525015525.db2.gz ZCUMBDBIYIJXJW-UHFFFAOYSA-N 0 0 461.547 4.253 50 0 JIAARN Cc1ccccc1-n1c(=O)c2sccc2n(Cc2nc(-c3ccc(Br)cc3)no2)c1=O ZINC000048986999 525025498 /nfs/dbraw/zinc/02/54/98/525025498.db2.gz NPBLFJYBWLXGRJ-UHFFFAOYSA-N 0 0 495.358 4.383 50 0 JIAARN Cc1ccc(NC(=O)C2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)cc1F ZINC000033258880 525028195 /nfs/dbraw/zinc/02/81/95/525028195.db2.gz FSZMDOAKFWVZTD-UHFFFAOYSA-N 0 0 471.536 4.142 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(Cc3ccco3)c3ccc(C)cc3)C2)cc1 ZINC000029473447 525030015 /nfs/dbraw/zinc/03/00/15/525030015.db2.gz CIHFMRBKCYBJRQ-HXUWFJFHSA-N 0 0 468.575 4.231 50 0 JIAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)cc1Cl ZINC000065078255 525037702 /nfs/dbraw/zinc/03/77/02/525037702.db2.gz PUUGCLGJHSWPCX-ZDUSSCGKSA-N 0 0 452.985 4.131 50 0 JIAARN Cc1ccccc1C(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)Cc1ccco1 ZINC000036061742 525043197 /nfs/dbraw/zinc/04/31/97/525043197.db2.gz PJKRZDLPANKRII-UHFFFAOYSA-N 0 0 495.583 4.036 50 0 JIAARN Cc1ccccc1C(=O)N1CCC(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000021841653 525044341 /nfs/dbraw/zinc/04/43/41/525044341.db2.gz DZKJRIOKLSHZNS-UHFFFAOYSA-N 0 0 468.907 4.143 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N[C@@H]3CCSc4c(F)cccc43)ccc2Cl)C[C@H](C)O1 ZINC000012799336 525046816 /nfs/dbraw/zinc/04/68/16/525046816.db2.gz MMBCWLIUDWEMHX-BIENJYKASA-N 0 0 499.029 4.244 50 0 JIAARN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000008815742 525048589 /nfs/dbraw/zinc/04/85/89/525048589.db2.gz HDEFNIBEJJHWIF-HYARGMPZSA-N 0 0 459.477 4.245 50 0 JIAARN Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F ZINC000033028191 525062142 /nfs/dbraw/zinc/06/21/42/525062142.db2.gz AQMUZDHCZADUCD-XMMPIXPASA-N 0 0 481.593 4.263 50 0 JIAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)cc1 ZINC000033232654 525075003 /nfs/dbraw/zinc/07/50/03/525075003.db2.gz BHZIBNCTAGSEPO-KKSFZXQISA-N 0 0 456.999 4.348 50 0 JIAARN Cc1ccc(NC(=O)CSc2cc(N3CCN(c4ccccc4F)CC3)ncn2)c(C)c1 ZINC000033301362 525077308 /nfs/dbraw/zinc/07/73/08/525077308.db2.gz CQPXDPJMOHODJO-UHFFFAOYSA-N 0 0 451.571 4.290 50 0 JIAARN Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CN(Cc2ccc(Cl)cc2)CC3)cc1 ZINC000021810330 525079208 /nfs/dbraw/zinc/07/92/08/525079208.db2.gz HYOBRSXHBCMAQD-UHFFFAOYSA-N 0 0 454.983 4.433 50 0 JIAARN Cc1ccc(NC(=O)CSc2nccc(N3CCN(c4ccc(F)cc4)CC3)n2)cc1F ZINC000033309989 525082561 /nfs/dbraw/zinc/08/25/61/525082561.db2.gz ZESKKEIIOBLBCF-UHFFFAOYSA-N 0 0 455.534 4.121 50 0 JIAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCCO4)n2C)c(Br)c1 ZINC000064987242 525083718 /nfs/dbraw/zinc/08/37/18/525083718.db2.gz JIOJVSIKKGZYTC-UHFFFAOYSA-N 0 0 489.395 4.445 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCCC4)nn3)c2)cc1OC ZINC000008609943 525085460 /nfs/dbraw/zinc/08/54/60/525085460.db2.gz LZNIWGZJFASJSL-UHFFFAOYSA-N 0 0 468.579 4.342 50 0 JIAARN Cc1ccc(NC(=O)CSc2nnc([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)o2)cc1 ZINC000021729744 525086309 /nfs/dbraw/zinc/08/63/09/525086309.db2.gz ZDOMMFFENPHUOY-CYBMUJFWSA-N 0 0 460.918 4.422 50 0 JIAARN COc1ccc(S(=O)(=O)Oc2cc(CN(C(=O)c3ccccc3F)C3CC3)ccc2OC)cc1 ZINC000037400695 525091911 /nfs/dbraw/zinc/09/19/11/525091911.db2.gz RHBUFLJZNGAOFE-UHFFFAOYSA-N 0 0 485.533 4.415 50 0 JIAARN COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCC3(CC2)OCCO3)cc1 ZINC000022573906 525094714 /nfs/dbraw/zinc/09/47/14/525094714.db2.gz CXUHBWVYLAUTMQ-UHFFFAOYSA-N 0 0 474.966 4.073 50 0 JIAARN Cc1ccc(NC(=O)Cn2c(=O)ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)cc1Cl ZINC000008601001 525100759 /nfs/dbraw/zinc/10/07/59/525100759.db2.gz QLNGKWVFLJHTHD-UHFFFAOYSA-N 0 0 488.009 4.023 50 0 JIAARN Cc1ccc(NC(=O)Cn2nc3c(Oc4cccc(C)c4C)nccn3c2=O)c(Br)c1 ZINC000033308997 525107913 /nfs/dbraw/zinc/10/79/13/525107913.db2.gz VSRLRNOAGMXACA-UHFFFAOYSA-N 0 0 482.338 4.010 50 0 JIAARN Cc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)cc1 ZINC000033273116 525121012 /nfs/dbraw/zinc/12/10/12/525121012.db2.gz BOHMLJCLKGUBRC-UHFFFAOYSA-N 0 0 465.535 4.239 50 0 JIAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000064930764 525128535 /nfs/dbraw/zinc/12/85/35/525128535.db2.gz VSBRYCLRYYSOHH-MRXNPFEDSA-N 0 0 451.508 4.197 50 0 JIAARN C[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000008943001 525140237 /nfs/dbraw/zinc/14/02/37/525140237.db2.gz QOFMIKVEUIUJNJ-QGZVFWFLSA-N 0 0 495.004 4.260 50 0 JIAARN Cc1ccccc1CN1c2cc(C(=O)OC[C@H]3CCCO3)ccc2S(=O)(=O)c2ccccc2C1=O ZINC000008599454 525145912 /nfs/dbraw/zinc/14/59/12/525145912.db2.gz KAUUPCFXSVUITB-OAQYLSRUSA-N 0 0 491.565 4.324 50 0 JIAARN Cc1cc(NC(=O)COc2ccc(C)cc2)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1 ZINC000017042984 525152735 /nfs/dbraw/zinc/15/27/35/525152735.db2.gz RYKBCCQKEJRQGR-UHFFFAOYSA-N 0 0 467.533 4.252 50 0 JIAARN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000016225651 525155781 /nfs/dbraw/zinc/15/57/81/525155781.db2.gz DOAOQOHFVSMACH-UHFFFAOYSA-N 0 0 477.586 4.141 50 0 JIAARN Cc1ccccc1CNC(=O)c1ccc(-c2nc(CCN(C)C(=O)c3ccccc3)no2)cc1 ZINC000033273500 525163867 /nfs/dbraw/zinc/16/38/67/525163867.db2.gz XTADMPDYQDNDPZ-UHFFFAOYSA-N 0 0 454.530 4.290 50 0 JIAARN COc1ccc([C@@H](CC(=O)Nc2cc(OC)c(OC)c(OC)c2)N2Cc3ccccc3C2=O)cc1 ZINC000008593074 525171999 /nfs/dbraw/zinc/17/19/99/525171999.db2.gz XUKNWGMKNBOFRQ-JOCHJYFZSA-N 0 0 476.529 4.447 50 0 JIAARN Cc1ccccc1COCc1nn(C)c2c1CN(S(=O)(=O)c1ccccc1C(F)(F)F)CC2 ZINC000033140425 525172613 /nfs/dbraw/zinc/17/26/13/525172613.db2.gz IRHXVQSVUMTMGS-UHFFFAOYSA-N 0 0 479.524 4.211 50 0 JIAARN C[C@]1(C(=O)NC2CCCC2)Cn2c3ccccc3c(-n3cccc3)c2C(=O)N1Cc1ccco1 ZINC000021868685 525196923 /nfs/dbraw/zinc/19/69/23/525196923.db2.gz BORKROGBMSPLDJ-HHHXNRCGSA-N 0 0 456.546 4.499 50 0 JIAARN Cc1ccc(NC(=O)[C@@H](C)n2nc(C)c3nn(-c4ccccc4)c(-n4cccc4)c3c2=O)c(C)c1 ZINC000033057932 525197965 /nfs/dbraw/zinc/19/79/65/525197965.db2.gz GJWIQEBCKZETTN-HXUWFJFHSA-N 0 0 466.545 4.498 50 0 JIAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)cc1 ZINC000033263578 525202001 /nfs/dbraw/zinc/20/20/01/525202001.db2.gz PFQJOGBQQUDSCT-OAHLLOKOSA-N 0 0 483.981 4.243 50 0 JIAARN Cc1cc(NC(=O)[C@H](OC(=O)[C@@H](C)Oc2ccc(Br)cc2)c2ccccc2)no1 ZINC000016815591 525229996 /nfs/dbraw/zinc/22/99/96/525229996.db2.gz MKRVLKRUHFYSGG-AUUYWEPGSA-N 0 0 459.296 4.436 50 0 JIAARN Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)CC1 ZINC000033269691 525232131 /nfs/dbraw/zinc/23/21/31/525232131.db2.gz TYQSUUOPKSPDQM-UHFFFAOYSA-N 0 0 480.590 4.270 50 0 JIAARN Cc1cc(NC(=O)c2c(F)cccc2F)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)n1 ZINC000017053532 525237379 /nfs/dbraw/zinc/23/73/79/525237379.db2.gz WBKUTZULGYORAX-UHFFFAOYSA-N 0 0 475.459 4.163 50 0 JIAARN Cc1cc(NC(=O)c2ccc(-c3cc(N4CCOCC4)ncn3)cc2)ccc1Br ZINC000064989439 525244101 /nfs/dbraw/zinc/24/41/01/525244101.db2.gz MQUKEYZAFMVKCA-UHFFFAOYSA-N 0 0 453.340 4.303 50 0 JIAARN COc1ccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3Cl)C[C@@H]2C(=O)N2CCCC2)c(OC)c1 ZINC000036062226 525256864 /nfs/dbraw/zinc/25/68/64/525256864.db2.gz KZKXMEBRBJWTTM-PMACEKPBSA-N 0 0 477.388 4.489 50 0 JIAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4C)C3)s2)cc1 ZINC000046124248 525263305 /nfs/dbraw/zinc/26/33/05/525263305.db2.gz KNVVIZPXGVDCHR-SFHVURJKSA-N 0 0 470.620 4.284 50 0 JIAARN COc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1nnc(C)s1 ZINC000045796249 525265460 /nfs/dbraw/zinc/26/54/60/525265460.db2.gz XAMUXKBORJNUTB-QUCCMNQESA-N 0 0 466.588 4.317 50 0 JIAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)sc2c1 ZINC000014706231 525267780 /nfs/dbraw/zinc/26/77/80/525267780.db2.gz SZTMWWHJEYYLLE-UHFFFAOYSA-N 0 0 466.466 4.157 50 0 JIAARN COc1ccc([C@@H]2[C@H](C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC ZINC000040313381 525275296 /nfs/dbraw/zinc/27/52/96/525275296.db2.gz LFOKZWQYEPIHAH-KAYWLYCHSA-N 0 0 483.568 4.455 50 0 biogenic JIAARN C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000016286638 525292222 /nfs/dbraw/zinc/29/22/22/525292222.db2.gz VVNBQPDADNTIKJ-WRELSGSFSA-N 0 0 451.032 4.214 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000016393414 525299401 /nfs/dbraw/zinc/29/94/01/525299401.db2.gz XFUDCBVPMWEVBB-UHFFFAOYSA-N 0 0 477.630 4.073 50 0 JIAARN Cc1ccccc1OCc1nc(CN(CCN2CCOCC2)C(=O)c2ccccc2F)cs1 ZINC000036114781 525317593 /nfs/dbraw/zinc/31/75/93/525317593.db2.gz FXEMRTDBQGRHSU-UHFFFAOYSA-N 0 0 469.582 4.144 50 0 JIAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccccc2SCc2ccccc2)C1=O ZINC000023957115 525318926 /nfs/dbraw/zinc/31/89/26/525318926.db2.gz AWHCCUXTOCCWDC-AREMUKBSSA-N 0 0 489.553 4.113 50 0 JIAARN Cc1ccc(Nc2ccc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)nn2)cc1Cl ZINC000065009424 525323470 /nfs/dbraw/zinc/32/34/70/525323470.db2.gz RRBUBPOHXBVPLZ-UHFFFAOYSA-N 0 0 458.971 4.178 50 0 JIAARN Cc1ccccc1S(=O)(=O)N1CCCN(c2nc3cc(Cl)ccc3n3cccc23)CC1 ZINC000021780493 525328841 /nfs/dbraw/zinc/32/88/41/525328841.db2.gz JMQAULDPCVXFOL-UHFFFAOYSA-N 0 0 454.983 4.350 50 0 JIAARN Cc1ccccc1S(=O)(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000064941026 525330744 /nfs/dbraw/zinc/33/07/44/525330744.db2.gz SQIHWGGNKBLKRO-INIZCTEOSA-N 0 0 462.984 4.278 50 0 JIAARN C[C@@H](NC(=O)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)c1)c1ccc(F)cc1 ZINC000035458756 525340871 /nfs/dbraw/zinc/34/08/71/525340871.db2.gz GRJHXYMOKIAELB-CJAUYULYSA-N 0 0 471.532 4.468 50 0 JIAARN C[C@@H]1C[C@H](C)CN(C(=S)SCC(=O)Nc2ncc3c(n2)C[C@H](c2ccccc2)CC3=O)C1 ZINC000012407525 525381098 /nfs/dbraw/zinc/38/10/98/525381098.db2.gz IJLJBGRTNQEFOG-JZXOWHBKSA-N 0 0 468.648 4.324 50 0 JIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)C1 ZINC000017244781 525387082 /nfs/dbraw/zinc/38/70/82/525387082.db2.gz DKEWMVHVUZJREZ-IYBDPMFKSA-N 0 0 456.593 4.124 50 0 JIAARN Cc1ccccc1[C@@]1(CC(=O)N2CCCC[C@H]2c2nccn2C)CC(=O)N(Cc2ccccc2)C1=O ZINC000014982353 525398946 /nfs/dbraw/zinc/39/89/46/525398946.db2.gz YNZZSBKUFMTVCH-PWUYWRBVSA-N 0 0 484.600 4.069 50 0 JIAARN Cc1[nH]c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000085598284 525413319 /nfs/dbraw/zinc/41/33/19/525413319.db2.gz SCXGHHQKHNPGPM-UHFFFAOYSA-N 0 0 459.490 4.347 50 0 JIAARN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1CCc2ccccc2C1 ZINC000009426720 525419636 /nfs/dbraw/zinc/41/96/36/525419636.db2.gz HVKDTXMULUAEMM-UHFFFAOYSA-N 0 0 470.978 4.413 50 0 JIAARN Cc1cc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(C(C)C)cc2)c2cccnc2)ccc1F ZINC000019797349 525425329 /nfs/dbraw/zinc/42/53/29/525425329.db2.gz GWKLXKDLJTYXGV-HSZRJFAPSA-N 0 0 476.595 4.146 50 0 JIAARN Cc1cc(SCC(=O)Nc2ccccc2)nc2ccc(S(=O)(=O)N3CCCCC3)cc12 ZINC000033087649 525433875 /nfs/dbraw/zinc/43/38/75/525433875.db2.gz USNIQNIRHDARML-UHFFFAOYSA-N 0 0 455.605 4.449 50 0 JIAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3nnc(C(C)(C)C)s3)c3ccccc3C(=O)N2C)cc1 ZINC000036364854 525434032 /nfs/dbraw/zinc/43/40/32/525434032.db2.gz XGIJQDFSHIQSHB-OALUTQOASA-N 0 0 450.564 4.393 50 0 JIAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)C(C)C)cc1 ZINC000036120073 525434303 /nfs/dbraw/zinc/43/43/03/525434303.db2.gz MDTCRVFJELYNHH-JTHBVZDNSA-N 0 0 470.635 4.225 50 0 JIAARN COc1ccc([C@H]2[C@@H](C(=O)NCc3ccccc3OC)CCC(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000004759713 525434790 /nfs/dbraw/zinc/43/47/90/525434790.db2.gz ZVOPTCCLQNVHKC-CUNXSJBXSA-N 0 0 488.540 4.233 50 0 JIAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N32)c(OC)c1 ZINC000002101729 525439055 /nfs/dbraw/zinc/43/90/55/525439055.db2.gz PGJLPDRUWGVTOE-CUBQBAPOSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN COc1ccc2c(C)nc(N3CCC(C(=O)NCc4ccc(OC(F)(F)F)cc4)CC3)nc2c1 ZINC000014888400 525497578 /nfs/dbraw/zinc/49/75/78/525497578.db2.gz UEYDCPIOXMGOKS-UHFFFAOYSA-N 0 0 474.483 4.378 50 0 JIAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000002639240 525509129 /nfs/dbraw/zinc/50/91/29/525509129.db2.gz JZYXSJTYMNDPQX-UHFFFAOYSA-N 0 0 497.507 4.487 50 0 JIAARN COc1ccc2c(c1)CCCN2C(=O)CSc1nc2ccccc2c(=O)n1CCCOC(C)C ZINC000011769737 525513067 /nfs/dbraw/zinc/51/30/67/525513067.db2.gz WIMRZUZNQAFZGV-UHFFFAOYSA-N 0 0 481.618 4.292 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3N3CCCCC3)CC2)cc1 ZINC000016175903 525518337 /nfs/dbraw/zinc/51/83/37/525518337.db2.gz HLPVBCMDLQTPRQ-UHFFFAOYSA-N 0 0 469.651 4.045 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3csc(-c4cccs4)n3)CC2)cc1C ZINC000013354372 525520193 /nfs/dbraw/zinc/52/01/93/525520193.db2.gz SVKGXRRQTVHDGD-UHFFFAOYSA-N 0 0 475.661 4.206 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc5c(c4)oc(=O)n5C(C)C)no3)CC2)cc1 ZINC000065138286 525524429 /nfs/dbraw/zinc/52/44/29/525524429.db2.gz KTCOMJMHWODORB-UHFFFAOYSA-N 0 0 482.562 4.102 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)cc1 ZINC000046123876 525535454 /nfs/dbraw/zinc/53/54/54/525535454.db2.gz NSQROXNFQOVDIJ-HNNXBMFYSA-N 0 0 477.011 4.321 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)cc1C ZINC000064941339 525536999 /nfs/dbraw/zinc/53/69/99/525536999.db2.gz MMCQAFQMHOUDRW-SFHVURJKSA-N 0 0 478.546 4.211 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccccc3F)s2)cc1C ZINC000064941817 525537085 /nfs/dbraw/zinc/53/70/85/525537085.db2.gz PRZJQTYYKOQOFP-SFHVURJKSA-N 0 0 460.556 4.072 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccco4)nc4cc(Cl)ccc43)CC2)cc1 ZINC000037382888 525545970 /nfs/dbraw/zinc/54/59/70/525545970.db2.gz WOFBXNAYOVAXAX-UHFFFAOYSA-N 0 0 468.966 4.363 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)Oc3cc(C)ccc32)cc1 ZINC000064985953 525554899 /nfs/dbraw/zinc/55/48/99/525554899.db2.gz CVOVFYLDEPVWBY-CYFREDJKSA-N 0 0 450.560 4.137 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cccc(Br)c4)sc3C2)cc1 ZINC000021654713 525555030 /nfs/dbraw/zinc/55/50/30/525555030.db2.gz NTHZVPUKQKAJIS-UHFFFAOYSA-N 0 0 492.420 4.213 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(F)cc3)Oc3ccc(Cl)cc32)cc1 ZINC000064986161 525555938 /nfs/dbraw/zinc/55/59/38/525555938.db2.gz INKWBUAXNFTAHK-NRFANRHFSA-N 0 0 460.914 4.383 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3F)Oc3ccc(Cl)cc32)cc1 ZINC000064986158 525557814 /nfs/dbraw/zinc/55/78/14/525557814.db2.gz QJLURRDXQKZZHT-OAQYLSRUSA-N 0 0 460.914 4.383 50 0 JIAARN Cc1c(C(=O)N2CCC[C@H](c3ccccc3)C2)sc2ncnc(NCCCN3CCCC3=O)c12 ZINC000014980702 525579312 /nfs/dbraw/zinc/57/93/12/525579312.db2.gz XEGYIZOAYZZTCO-FQEVSTJZSA-N 0 0 477.634 4.444 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC(c3noc(-c4ccccc4C)n3)CC2)C(C)C)cc1 ZINC000033139586 525579907 /nfs/dbraw/zinc/57/99/07/525579907.db2.gz GGLDNYWELVNQEW-HSZRJFAPSA-N 0 0 496.633 4.063 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000036370290 525582462 /nfs/dbraw/zinc/58/24/62/525582462.db2.gz XYSFKTWUFAXQHP-YADARESESA-N 0 0 473.639 4.426 50 0 JIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccc(F)c(F)c1 ZINC000036167481 525582533 /nfs/dbraw/zinc/58/25/33/525582533.db2.gz UBQQINDDTLGUKD-HSZRJFAPSA-N 0 0 456.470 4.155 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Oc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 ZINC000002093436 525583368 /nfs/dbraw/zinc/58/33/68/525583368.db2.gz GMVMXTWUBVXJKN-NRFANRHFSA-N 0 0 483.586 4.197 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022785077 525583434 /nfs/dbraw/zinc/58/34/34/525583434.db2.gz WWOWRMWJSXVSIV-SQJMNOBHSA-N 0 0 469.676 4.282 50 0 JIAARN CSCC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)c1nc2ccccc2[nH]1 ZINC000016645521 525590676 /nfs/dbraw/zinc/59/06/76/525590676.db2.gz OWFCPRKNWFADHY-IBGZPJMESA-N 0 0 497.646 4.268 50 0 JIAARN Cc1ccn(CC(=O)NCc2nnc(SCc3ccccc3Cl)n2Cc2ccccc2)n1 ZINC000012509846 525598302 /nfs/dbraw/zinc/59/83/02/525598302.db2.gz VCWIXWWIHIXRRT-UHFFFAOYSA-N 0 0 466.998 4.093 50 0 JIAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000064965623 525600575 /nfs/dbraw/zinc/60/05/75/525600575.db2.gz GZZRABFAYDNJLF-UHFFFAOYSA-N 0 0 481.430 4.294 50 0 JIAARN COc1ccc2c(c1)c1nc(SCC(=O)Nc3ccccc3C(F)(F)F)n(C)c(=O)c1n2C ZINC000033141829 525604307 /nfs/dbraw/zinc/60/43/07/525604307.db2.gz IGSONHZBZYPXGR-UHFFFAOYSA-N 0 0 476.480 4.183 50 0 JIAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCC3(CC2)OCCO3)cc1C ZINC000022573962 525633661 /nfs/dbraw/zinc/63/36/61/525633661.db2.gz SBBDDONFHVWRAH-UHFFFAOYSA-N 0 0 456.539 4.167 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC[C@@H]1CCCO1)N(CCc1ccc(Cl)cc1)C3=O ZINC000021859838 525646235 /nfs/dbraw/zinc/64/62/35/525646235.db2.gz FRYIOAXDKYIXHT-WXVAWEFUSA-N 0 0 496.007 4.056 50 0 JIAARN Cc1c(C(=O)Nc2ccc(C)cc2Br)nnn1CC(=O)Nc1cccc(Cl)c1 ZINC000067322336 525655910 /nfs/dbraw/zinc/65/59/10/525655910.db2.gz FTNMKTURYWLDAM-UHFFFAOYSA-N 0 0 462.735 4.202 50 0 JIAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(OC)c(OC)c3OC)sc2c1 ZINC000033088230 525657214 /nfs/dbraw/zinc/65/72/14/525657214.db2.gz IEPFDFJGFWKYJN-OAHLLOKOSA-N 0 0 480.546 4.299 50 0 JIAARN C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000033040063 525663829 /nfs/dbraw/zinc/66/38/29/525663829.db2.gz VPVBZGCULPSCRL-HNNXBMFYSA-N 0 0 465.472 4.142 50 0 JIAARN Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)c4cccc(Br)c4)c3)cc(=O)n2o1 ZINC000041089565 525670113 /nfs/dbraw/zinc/67/01/13/525670113.db2.gz SDWYPLBCKGYQPH-UHFFFAOYSA-N 0 0 496.317 4.276 50 0 JIAARN Cc1cc2nc(COc3ccc(Cl)cc3NC(=O)COc3cccc(C)c3)cc(=O)n2o1 ZINC000035448027 525674458 /nfs/dbraw/zinc/67/44/58/525674458.db2.gz QEGOZTXQGOYTSG-UHFFFAOYSA-N 0 0 453.882 4.154 50 0 JIAARN Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)c2cc1C ZINC000021849476 525690717 /nfs/dbraw/zinc/69/07/17/525690717.db2.gz DXHOHRQXXVCZJO-UHFFFAOYSA-N 0 0 481.401 4.223 50 0 JIAARN Cc1cc2sc(N(CCn3cccn3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc2c(C)c1 ZINC000022604146 525699699 /nfs/dbraw/zinc/69/96/99/525699699.db2.gz CDKJWRFOJGWDBW-UHFFFAOYSA-N 0 0 473.558 4.110 50 0 JIAARN Cc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000033325601 525718112 /nfs/dbraw/zinc/71/81/12/525718112.db2.gz OODVGWSHKQHPAD-XMMPIXPASA-N 0 0 477.630 4.313 50 0 JIAARN COc1cccc(-c2nn(Cc3nc(-c4ccc(OC)cc4OC)oc3C)c(=O)c3noc(C)c32)c1 ZINC000021883130 525731378 /nfs/dbraw/zinc/73/13/78/525731378.db2.gz WIGDEJVDIDSLSU-UHFFFAOYSA-N 0 0 488.500 4.397 50 0 JIAARN COc1cccc(-c2nnc3c4ccccc4nc(N4CCCN(C(=O)c5ccc(F)cc5)CC4)n23)c1 ZINC000034706450 525733644 /nfs/dbraw/zinc/73/36/44/525733644.db2.gz DGXBTAZJKJGYGB-UHFFFAOYSA-N 0 0 496.546 4.445 50 0 JIAARN Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5Br)no4)ncn3n2)c(C)c1 ZINC000049004323 525738647 /nfs/dbraw/zinc/73/86/47/525738647.db2.gz DJSROBDUALICSP-UHFFFAOYSA-N 0 0 477.322 4.036 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000033302348 525744075 /nfs/dbraw/zinc/74/40/75/525744075.db2.gz ACJFHJLKOXYJLT-UHFFFAOYSA-N 0 0 478.549 4.450 50 0 JIAARN Cc1c(Cl)cccc1-n1c(SCC(=O)NC(=O)NCc2cccs2)nnc1-c1ccncc1 ZINC000016215953 525750489 /nfs/dbraw/zinc/75/04/89/525750489.db2.gz 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COc1cccc(C(=O)N2C[C@H](C(=O)NCc3ccc(F)cc3)[C@H](c3cccc(OC)c3OC)C2)c1 ZINC000036054425 525809677 /nfs/dbraw/zinc/80/96/77/525809677.db2.gz CABAPKMOMJRZPL-ZEQRLZLVSA-N 0 0 492.547 4.024 50 0 JIAARN Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NCc2ccc(F)cc2)CCN(Cc2ccccc2)C3)cc1 ZINC000035456402 525820613 /nfs/dbraw/zinc/82/06/13/525820613.db2.gz DAXVYQIRXGNUAT-UHFFFAOYSA-N 0 0 496.586 4.233 50 0 JIAARN COc1cccc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2csc(COc3ccccc3OC)n2)c1 ZINC000034905838 525830092 /nfs/dbraw/zinc/83/00/92/525830092.db2.gz SUOSHWSTOPDWLK-PMACEKPBSA-N 0 0 495.601 4.210 50 0 JIAARN Cc1ccc(-c2noc(-c3ccccc3S(=O)(=O)N3CCN(C4CCCCC4)CC3)n2)cc1 ZINC000085822553 525872021 /nfs/dbraw/zinc/87/20/21/525872021.db2.gz OWGHJEKXWLZURW-UHFFFAOYSA-N 0 0 466.607 4.351 50 0 JIAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000033276254 525873635 /nfs/dbraw/zinc/87/36/35/525873635.db2.gz ZRXOIPJKWAYZRP-LBPRGKRZSA-N 0 0 478.933 4.020 50 0 JIAARN Cc1ccc(-c2noc(Cn3c4ccccc4c(=O)n(CCc4ccccc4)c3=O)n2)cc1C ZINC000064998904 525882227 /nfs/dbraw/zinc/88/22/27/525882227.db2.gz DZYHSZHIHVLZDS-UHFFFAOYSA-N 0 0 452.514 4.121 50 0 JIAARN C[C@@H](OC(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000013150020 525893154 /nfs/dbraw/zinc/89/31/54/525893154.db2.gz PXFKYPWMJPWCGT-LJQANCHMSA-N 0 0 483.524 4.025 50 0 JIAARN Cc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2cccc(Br)c2)cc1C ZINC000064951330 525894784 /nfs/dbraw/zinc/89/47/84/525894784.db2.gz HVDJGKHGZNMENC-UHFFFAOYSA-N 0 0 451.324 4.205 50 0 JIAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(F)(F)F)nc3c2nc[nH]c3=O)cc1 ZINC000012462139 525901125 /nfs/dbraw/zinc/90/11/25/525901125.db2.gz OAOKHQHSUANEMH-UHFFFAOYSA-N 0 0 459.453 4.167 50 0 biogenic,in-vitro JIAARN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)c(C)c1 ZINC000033280356 525910616 /nfs/dbraw/zinc/91/06/16/525910616.db2.gz ZTHWNHMUKURZOZ-QFIPXVFZSA-N 0 0 499.659 4.322 50 0 JIAARN Cc1ccc(-n2cc3c(n2)ncnc3N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)C2)cc1 ZINC000033273790 525910976 /nfs/dbraw/zinc/91/09/76/525910976.db2.gz IJXPCOKBTXMLDL-AZUAARDMSA-N 0 0 458.541 4.357 50 0 JIAARN COc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2OC)c1 ZINC000021858984 525928887 /nfs/dbraw/zinc/92/88/87/525928887.db2.gz IOSNURCQNUEJCC-GDLZYMKVSA-N 0 0 483.568 4.390 50 0 JIAARN COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000021861078 525932152 /nfs/dbraw/zinc/93/21/52/525932152.db2.gz XKVRYPUYMSLVKR-CLQOQPCJSA-N 0 0 460.578 4.155 50 0 JIAARN C[C@@H](Sc1ccc(NC(=S)Nc2ccccc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000022744668 525988792 /nfs/dbraw/zinc/98/87/92/525988792.db2.gz HZLJUJCGYRKNQQ-OAHLLOKOSA-N 0 0 486.644 4.262 50 0 JIAARN Cc1c2cnn(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000036118444 525995179 /nfs/dbraw/zinc/99/51/79/525995179.db2.gz SXORZQPVJBNXOT-PONJGIIJSA-N 0 0 455.002 4.457 50 0 JIAARN Cc1c2oc(=O)sc2c(Br)c(OS(=O)(=O)c2ccccc2)c1Br ZINC000002024283 525997871 /nfs/dbraw/zinc/99/78/71/525997871.db2.gz FBOFGFLCVONCJJ-UHFFFAOYSA-N 0 0 480.155 4.456 50 0 JIAARN COc1cccc(CNC(=O)[C@H]2CCCN(c3nc4c(s3)c(C)nn4-c3cccc(F)c3)C2)c1 ZINC000065081149 526000971 /nfs/dbraw/zinc/00/09/71/526000971.db2.gz VVTPSEXUKMOBAX-SFHVURJKSA-N 0 0 479.581 4.471 50 0 JIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1CCCN1CCOCC1)C(=O)c1cccc(Cl)c1 ZINC000021555003 526002468 /nfs/dbraw/zinc/00/24/68/526002468.db2.gz MWEZXSUGBIIQTB-QGZVFWFLSA-N 0 0 472.010 4.136 50 0 JIAARN C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008755648 526002712 /nfs/dbraw/zinc/00/27/12/526002712.db2.gz PRZWIMYQWZLYJB-HNNXBMFYSA-N 0 0 451.548 4.402 50 0 JIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000003357042 526002784 /nfs/dbraw/zinc/00/27/84/526002784.db2.gz DMURPMZZBKSWAM-MRXNPFEDSA-N 0 0 491.544 4.110 50 0 JIAARN COc1cccc(CNC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2cccc(C)c2)c3=O)c1 ZINC000048990457 526006489 /nfs/dbraw/zinc/00/64/89/526006489.db2.gz QTIJHUBSJQQPKZ-UHFFFAOYSA-N 0 0 468.557 4.233 50 0 JIAARN CSc1ccc(C[C@@]2(CCC(=O)N(Cc3c(C)nn(C)c3C)C(C)C)CCC(=O)N2)cc1 ZINC000014994075 526009949 /nfs/dbraw/zinc/00/99/49/526009949.db2.gz LFHOHPUDUPBHJN-VWLOTQADSA-N 0 0 456.656 4.168 50 0 JIAARN C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009635416 526010608 /nfs/dbraw/zinc/01/06/08/526010608.db2.gz ADTJSIPFAPBEFE-ZDUSSCGKSA-N 0 0 481.500 4.050 50 0 JIAARN CSc1ccc(N2C[C@H](c3nnc(NC(=O)COc4ccccc4C(C)C)o3)CC2=O)cc1 ZINC000033291390 526022436 /nfs/dbraw/zinc/02/24/36/526022436.db2.gz OIJNOUVEJCHEOT-MRXNPFEDSA-N 0 0 466.563 4.453 50 0 JIAARN Cc1cc(-c2cc(C(=O)Nc3nc(CC(N)=O)cs3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000014369696 526040156 /nfs/dbraw/zinc/04/01/56/526040156.db2.gz RDPSVQJWWOVBBJ-UHFFFAOYSA-N 0 0 454.581 4.094 50 0 JIAARN CSc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000016741655 526064282 /nfs/dbraw/zinc/06/42/82/526064282.db2.gz 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C[C@H](c1ccccc1)N(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)C1CCC1 ZINC000036069207 526092720 /nfs/dbraw/zinc/09/27/20/526092720.db2.gz BHQBFQANHKUQKA-JOCHJYFZSA-N 0 0 483.616 4.182 50 0 JIAARN Cc1cnc(SCc2cccnc2)nc1[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000014882242 526102957 /nfs/dbraw/zinc/10/29/57/526102957.db2.gz CDJZFRHVLYOKCJ-FQEVSTJZSA-N 0 0 462.575 4.150 50 0 JIAARN C[C@H](c1ccccc1)n1c(SCC(=O)NC(=O)NCc2ccccc2)nc2ccccc2c1=O ZINC000002662112 526108873 /nfs/dbraw/zinc/10/88/73/526108873.db2.gz IWCZPDYKVIKVMO-GOSISDBHSA-N 0 0 472.570 4.124 50 0 JIAARN Cc1ccc2c(=O)c(-c3nc(-c4cccc(F)c4)no3)cn(CC(=O)N[C@@H]3CCc4ccccc43)c2n1 ZINC000021655152 526115826 /nfs/dbraw/zinc/11/58/26/526115826.db2.gz NJCIPXSUVPQVJV-HSZRJFAPSA-N 0 0 495.514 4.365 50 0 JIAARN Cc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4ccc(Br)cc4)cc32)cc1 ZINC000065003081 526133705 /nfs/dbraw/zinc/13/37/05/526133705.db2.gz LLYBBRUSKFNFRS-UHFFFAOYSA-N 0 0 485.403 4.439 50 0 JIAARN COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(c4nccc5sc(C)cc54)C3)CC2)c1 ZINC000033174003 526149876 /nfs/dbraw/zinc/14/98/76/526149876.db2.gz FYXYCTZPLUSVGL-LJQANCHMSA-N 0 0 450.608 4.179 50 0 JIAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)NCc4ccccc4)cc3)ccc12 ZINC000002633382 526151493 /nfs/dbraw/zinc/15/14/93/526151493.db2.gz ZBRQELCMDVKCIV-UHFFFAOYSA-N 0 0 457.482 4.154 50 0 JIAARN COc1cccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C(F)(F)F)on4)sc3C)CC2)c1 ZINC000033299250 526154448 /nfs/dbraw/zinc/15/44/48/526154448.db2.gz VPYRFJDCOYIAIK-UHFFFAOYSA-N 0 0 487.525 4.250 50 0 JIAARN COc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3ccc4c(c3)CCC4)CC2)c1 ZINC000049001721 526155456 /nfs/dbraw/zinc/15/54/56/526155456.db2.gz TZSLSMZXIFMRRW-UHFFFAOYSA-N 0 0 497.642 4.009 50 0 JIAARN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)COc1ccc(Br)cc1F ZINC000040142725 526155824 /nfs/dbraw/zinc/15/58/24/526155824.db2.gz RQHOXKXLQCMZQR-UHFFFAOYSA-N 0 0 463.225 4.206 50 0 JIAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000012516377 526169504 /nfs/dbraw/zinc/16/95/04/526169504.db2.gz BVPMVBIOHGQSAB-UHFFFAOYSA-N 0 0 467.635 4.029 50 0 JIAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N3CCOCC3)c(NCCc3ccccc3)cc1O2 ZINC000064986756 526171885 /nfs/dbraw/zinc/17/18/85/526171885.db2.gz ZVHODAPHGNSZRF-UHFFFAOYSA-N 0 0 493.585 4.029 50 0 JIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(OC)cc3OC)cs2)c1 ZINC000008851119 526177743 /nfs/dbraw/zinc/17/77/43/526177743.db2.gz MOECTUNIVYXBBN-UHFFFAOYSA-N 0 0 473.576 4.081 50 0 JIAARN COc1cccc(NC(=O)Cn2nc3c4cc(F)ccc4n(Cc4cccc(C)c4)cc-3c2=O)c1 ZINC000033249901 526185155 /nfs/dbraw/zinc/18/51/55/526185155.db2.gz QTFJXGYQDIQPIB-UHFFFAOYSA-N 0 0 470.504 4.446 50 0 JIAARN Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c(C)n1Cc1ccco1 ZINC000008882517 526209699 /nfs/dbraw/zinc/20/96/99/526209699.db2.gz CDEFGJMWVASTHZ-UHFFFAOYSA-N 0 0 463.317 4.209 50 0 JIAARN Cc1cc(C(=O)COC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)n1-c1nccs1 ZINC000016097340 526210561 /nfs/dbraw/zinc/21/05/61/526210561.db2.gz HRDMCTRKZQPJHW-UHFFFAOYSA-N 0 0 496.614 4.086 50 0 JIAARN 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/nfs/dbraw/zinc/83/18/22/526831822.db2.gz FVNZLHIKXZZWEZ-LRSLUSHPSA-N 0 0 462.864 4.470 50 0 JIAARN N=C1NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)S1 ZINC000016213854 526839949 /nfs/dbraw/zinc/83/99/49/526839949.db2.gz XMBMTHZFOVPGQX-ZSOIEALJSA-N 0 0 473.757 4.009 50 0 JIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000048355043 526844417 /nfs/dbraw/zinc/84/44/17/526844417.db2.gz NIJISDVGDHXNMK-UHFFFAOYSA-N 0 0 473.932 4.084 50 0 JIAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000046141381 526864526 /nfs/dbraw/zinc/86/45/26/526864526.db2.gz VJZVREXDLGDUOP-UHFFFAOYSA-N 0 0 484.578 4.424 50 0 JIAARN Cc1sc2nc(CN3CCN(C(=O)CC(c4ccccc4)c4ccccc4)CC3)[nH]c(=O)c2c1C ZINC000016047240 526890177 /nfs/dbraw/zinc/89/01/77/526890177.db2.gz QSCHYZPSBMTKGL-UHFFFAOYSA-N 0 0 486.641 4.468 50 0 JIAARN Cc1sc2nc(CS[C@@H](C)C(=O)OCC(=O)Nc3ccc(OC(F)F)cc3)[nH]c(=O)c2c1C ZINC000009396708 526894040 /nfs/dbraw/zinc/89/40/40/526894040.db2.gz GGPCCCUYYHYRFZ-LBPRGKRZSA-N 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O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccc(Br)cc1)c1ccco1 ZINC000002937313 527001058 /nfs/dbraw/zinc/00/10/58/527001058.db2.gz FVGMKDZMQZTHBX-HXUWFJFHSA-N 0 0 495.329 4.291 50 0 biogenic JIAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000002937310 527001623 /nfs/dbraw/zinc/00/16/23/527001623.db2.gz DFMHQYRJTATVGI-HXUWFJFHSA-N 0 0 450.878 4.182 50 0 JIAARN Cn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1ccccc1Br ZINC000016840860 527024088 /nfs/dbraw/zinc/02/40/88/527024088.db2.gz GNDJQBQEVJOADZ-UHFFFAOYSA-N 0 0 469.364 4.422 50 0 JIAARN O=C(CSc1ccccc1C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCc2ccccc21 ZINC000008726360 527043468 /nfs/dbraw/zinc/04/34/68/527043468.db2.gz CDRPIXOHQXXYLY-UHFFFAOYSA-N 0 0 473.598 4.457 50 0 JIAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCc1ccc2c(c1)OCO2 ZINC000039393057 527053246 /nfs/dbraw/zinc/05/32/46/527053246.db2.gz KUEAQTSBHSCVSW-UHFFFAOYSA-N 0 0 453.467 4.361 50 0 JIAARN O=C(CSc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1)Nc1ccc(Cl)cc1 ZINC000008852244 527054645 /nfs/dbraw/zinc/05/46/45/527054645.db2.gz TUKIARYEOGYKCR-UHFFFAOYSA-N 0 0 487.050 4.419 50 0 JIAARN NC(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 ZINC000002655556 527060887 /nfs/dbraw/zinc/06/08/87/527060887.db2.gz BCFDGCYSQLFFII-UHFFFAOYSA-N 0 0 490.610 4.156 50 0 JIAARN O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)N1CCc2ccccc2C1 ZINC000002875875 527067190 /nfs/dbraw/zinc/06/71/90/527067190.db2.gz HJZFEDZWLHUKGY-UHFFFAOYSA-N 0 0 477.611 4.265 50 0 JIAARN O=C(CSc1ncccc1C(=O)NCCOc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000009337165 527069111 /nfs/dbraw/zinc/06/91/11/527069111.db2.gz NQCYRDOMCPTRCE-UHFFFAOYSA-N 0 0 485.949 4.003 50 0 JIAARN O=C(CSc1nccn1-c1cccc(C(=O)NCc2ccco2)c1)NCc1ccccc1Cl ZINC000033265069 527070587 /nfs/dbraw/zinc/07/05/87/527070587.db2.gz ASTRDLXUAJDLED-UHFFFAOYSA-N 0 0 480.977 4.457 50 0 JIAARN O=C(CSc1nccn1-c1ccc(C(=O)NCc2ccccc2F)cc1)NC1CCCCC1 ZINC000044166244 527071255 /nfs/dbraw/zinc/07/12/55/527071255.db2.gz RTNFFUUZQDKFFA-UHFFFAOYSA-N 0 0 466.582 4.482 50 0 JIAARN O=C(CSc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCc1ccc(F)cc1Cl ZINC000033011662 527082327 /nfs/dbraw/zinc/08/23/27/527082327.db2.gz SZBTVUFBAGSQGP-UHFFFAOYSA-N 0 0 454.911 4.131 50 0 JIAARN O=C(CSc1nnc(COc2ccccc2F)n1-c1ccccc1)N1CC(=O)Nc2ccccc21 ZINC000002627918 527084540 /nfs/dbraw/zinc/08/45/40/527084540.db2.gz KMQDGFLJOFJGCQ-UHFFFAOYSA-N 0 0 489.532 4.063 50 0 JIAARN O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C1=O)C1CCCCC1 ZINC000020522090 527087795 /nfs/dbraw/zinc/08/77/95/527087795.db2.gz IZAGXQAJUHSMIX-XMMPIXPASA-N 0 0 457.496 4.473 50 0 JIAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCOCC1)c1ccc(OCc2cscn2)cc1 ZINC000021630976 527094593 /nfs/dbraw/zinc/09/45/93/527094593.db2.gz BUGTZPHEJAAUEI-UHFFFAOYSA-N 0 0 463.515 4.193 50 0 JIAARN Cn1c2cc(NC(=O)c3ccc(Br)cc3)c(Oc3ccccc3)cc2n(C)c(=O)c1=O ZINC000033265684 527095212 /nfs/dbraw/zinc/09/52/12/527095212.db2.gz MXVSONVORIBGSX-UHFFFAOYSA-N 0 0 480.318 4.044 50 0 JIAARN O=C1[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C(=O)N1c1ccc2c(c1)OCCO2 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4.321 50 0 JIAARN Cn1cc(I)c(-c2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)n1 ZINC000002798269 527240340 /nfs/dbraw/zinc/24/03/40/527240340.db2.gz LLKBIFBLTDEESM-JTQLQIEISA-N 0 0 492.390 4.495 50 0 JIAARN O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccccc1Oc1ccccc1 ZINC000009971399 527256000 /nfs/dbraw/zinc/25/60/00/527256000.db2.gz UAYCHXZFSFIJST-HXUWFJFHSA-N 0 0 452.532 4.189 50 0 JIAARN O=S(=O)(c1ccc(-c2noc(Cc3ccc(Br)cc3)n2)cc1)N1CCCCC1 ZINC000085642024 527267767 /nfs/dbraw/zinc/26/77/67/527267767.db2.gz QCGQMKHKPDTNFV-UHFFFAOYSA-N 0 0 462.369 4.265 50 0 JIAARN Cc1ncc2c(c1CNC(=O)c1cc3ccccc3[nH]1)CCN(C(=O)CCc1ccc3c(c1)OCO3)C2 ZINC000014981799 527316067 /nfs/dbraw/zinc/31/60/67/527316067.db2.gz CXKKPHZXIUOJMD-UHFFFAOYSA-N 0 0 496.567 4.048 50 0 JIAARN O=C(Nc1cccc(C(=O)NCCc2cccs2)c1)c1nnc(COc2ccccc2)s1 ZINC000033027277 527328669 /nfs/dbraw/zinc/32/86/69/527328669.db2.gz RBDOKUWDOGPXAB-UHFFFAOYSA-N 0 0 464.572 4.403 50 0 JIAARN O=C(Nc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1)c1nnc(COc2ccccc2)s1 ZINC000033027195 527328910 /nfs/dbraw/zinc/32/89/10/527328910.db2.gz DXBNDFLEEKQJOE-UHFFFAOYSA-N 0 0 488.525 4.028 50 0 JIAARN O=C(Nc1cccc(C(F)(F)F)c1)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000020237111 527329613 /nfs/dbraw/zinc/32/96/13/527329613.db2.gz ZKPISKNFZLQOQM-UHFFFAOYSA-N 0 0 451.470 4.215 50 0 JIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985300 527330994 /nfs/dbraw/zinc/33/09/94/527330994.db2.gz ODSQVCNMYDHUAP-FQEVSTJZSA-N 0 0 462.449 4.300 50 0 JIAARN O=C(Cc1csc(-c2ccccc2)n1)OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000039983715 527333801 /nfs/dbraw/zinc/33/38/01/527333801.db2.gz DBUYEDYQRCRHDM-UHFFFAOYSA-N 0 0 489.519 4.263 50 0 JIAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3F)C2)s1 ZINC000046124597 527344866 /nfs/dbraw/zinc/34/48/66/527344866.db2.gz HMAXCTAEJOHKOD-GFCCVEGCSA-N 0 0 498.964 4.290 50 0 JIAARN O=C(Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21)Nc1ccc2c(c1)OCO2 ZINC000012414532 527353486 /nfs/dbraw/zinc/35/34/86/527353486.db2.gz XFJNOVIEPZVWSQ-UHFFFAOYSA-N 0 0 451.841 4.223 50 0 JIAARN O=C(Cn1cc(C(=O)c2ccc(Cl)cc2)c(=O)c2cc3c(cc21)OCCO3)Nc1ccc(F)cc1 ZINC000002688351 527365954 /nfs/dbraw/zinc/36/59/54/527365954.db2.gz FLKKCFWLTMNLGS-UHFFFAOYSA-N 0 0 492.890 4.435 50 0 JIAARN O=C(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)C1 ZINC000033279511 527397140 /nfs/dbraw/zinc/39/71/40/527397140.db2.gz RFAYYEAEIOKLOH-MRXNPFEDSA-N 0 0 472.592 4.105 50 0 JIAARN O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\NS(=O)(=O)c1ccc(Cl)cc1 ZINC000012437607 527398727 /nfs/dbraw/zinc/39/87/27/527398727.db2.gz KKLUODWUFPDVAK-LVWGJNHUSA-N 0 0 453.907 4.133 50 0 JIAARN O=C(N/C(=C\c1ccco1)C(=O)N1CCC(O)(c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000013388227 527434012 /nfs/dbraw/zinc/43/40/12/527434012.db2.gz MIWWQYLVDOFQCA-XLNRJJMWSA-N 0 0 495.373 4.323 50 0 JIAARN O=c1[nH]c(CN(Cc2ccccc2)C[C@@H](O)COc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000036156890 527435558 /nfs/dbraw/zinc/43/55/58/527435558.db2.gz DLUVLPXOEHEPNN-HXUWFJFHSA-N 0 0 475.614 4.306 50 0 JIAARN Cn1ccnc1SCc1cc(=O)c(OC(=O)c2cc(Br)ccc2Cl)co1 ZINC000009712930 527448822 /nfs/dbraw/zinc/44/88/22/527448822.db2.gz YTAVKNFPUDSSRC-UHFFFAOYSA-N 0 0 455.717 4.301 50 0 JIAARN O=C(NC1CCC(NC(=O)c2ccccc2F)CC1)c1csc(COc2ccccc2F)n1 ZINC000034905937 527499688 /nfs/dbraw/zinc/49/96/88/527499688.db2.gz XLSTTYGFUZRGID-UHFFFAOYSA-N 0 0 471.529 4.471 50 0 JIAARN O=C(Nc1nc2c(cccc2F)s1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000016837332 527510142 /nfs/dbraw/zinc/51/01/42/527510142.db2.gz GEYDZYMSDTYDJX-UHFFFAOYSA-N 0 0 453.520 4.439 50 0 JIAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024682483 527518718 /nfs/dbraw/zinc/51/87/18/527518718.db2.gz IRTPMHYUMYRMHV-CQSZACIVSA-N 0 0 455.923 4.108 50 0 JIAARN O=C(Nc1nn2cnnc2s1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000024974176 527530498 /nfs/dbraw/zinc/53/04/98/527530498.db2.gz XZRYFUIEZHKIMB-UHFFFAOYSA-N 0 0 451.309 4.416 50 0 JIAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccccc1OCc1ccccc1C)CC(=O)N2 ZINC000021726289 527532269 /nfs/dbraw/zinc/53/22/69/527532269.db2.gz JIUGBRINWTUHGT-OAQYLSRUSA-N 0 0 479.544 4.288 50 0 JIAARN Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1cccc(OCc3ccccc3Cl)c1)CC(=O)N2 ZINC000033088134 527533429 /nfs/dbraw/zinc/53/34/29/527533429.db2.gz NCWQHOGGRKFSCU-IBGZPJMESA-N 0 0 485.935 4.325 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)OCc1nc2ccc(Cl)cc2n1CCO ZINC000033527863 527536897 /nfs/dbraw/zinc/53/68/97/527536897.db2.gz XYVJPZVDRIXFLP-LUAWRHEFSA-N 0 0 450.926 4.241 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)cc(C)c12 ZINC000046016878 527554967 /nfs/dbraw/zinc/55/49/67/527554967.db2.gz KZFGDGWUZHHBHL-OAQYLSRUSA-N 0 0 469.589 4.462 50 0 JIAARN OCCOc1cccc(CN2CCOc3ccc(C4(O)CCN(c5ccccc5F)CC4)cc3C2)c1 ZINC000014986140 527557976 /nfs/dbraw/zinc/55/79/76/527557976.db2.gz RHJCBNLHAWCVRC-UHFFFAOYSA-N 0 0 492.591 4.079 50 0 JIAARN O=C(C=Cc1cccc(C(F)(F)F)c1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000008776454 527625404 /nfs/dbraw/zinc/62/54/04/527625404.db2.gz VPKPPSSJEXZBSN-ZGKFYVQTSA-N 0 0 457.452 4.163 50 0 JIAARN FC(F)(F)CN(Cc1ccccc1)Cn1nc(N2CCOCC2)n(-c2ccccc2)c1=S ZINC000014223720 527667225 /nfs/dbraw/zinc/66/72/25/527667225.db2.gz UJMFYHMIROXPBF-UHFFFAOYSA-N 0 0 463.529 4.262 50 0 JIAARN O=C(NCCCN1CCN(c2ccccc2F)CC1)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000008610254 527667964 /nfs/dbraw/zinc/66/79/64/527667964.db2.gz UHCCYFSSSFLRNA-UHFFFAOYSA-N 0 0 481.641 4.368 50 0 JIAARN CC[C@@H](C(=O)NCCc1c[nH]c2ccc(Cl)cc12)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000096355831 535415420 /nfs/dbraw/zinc/41/54/20/535415420.db2.gz HCFPKBKVILIRCY-NRFANRHFSA-N 0 0 461.953 4.333 50 0 JIAARN CCOC(=O)C1CCN(C(=O)Cn2c(Cc3cccnc3)nc3cc(Cl)c(Cl)cc32)CC1 ZINC000096289961 535598130 /nfs/dbraw/zinc/59/81/30/535598130.db2.gz FYEBVAGPTOXAHS-UHFFFAOYSA-N 0 0 475.376 4.131 50 0 JIAARN CCN1CCN(C(=O)c2ccccc2CSc2nnc(Cc3ccccc3)n2[C@H](C)COC)CC1 ZINC000096289354 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C[C@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 ZINC000000702492 553761014 /nfs/dbraw/zinc/76/10/14/553761014.db2.gz LZAQJEYLHXVPGR-HNNXBMFYSA-N 0 0 453.539 4.497 50 0 JIAARN CCOc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SCCC(=O)N32)cc1OC ZINC000000702619 553761362 /nfs/dbraw/zinc/76/13/62/553761362.db2.gz KXXCIHLICUUURY-HSZRJFAPSA-N 0 0 466.559 4.488 50 0 JIAARN O=S(=O)(c1nc(-c2ccco2)oc1NC[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000000704068 553763051 /nfs/dbraw/zinc/76/30/51/553763051.db2.gz SRYJUCPEYWQECV-ZDUSSCGKSA-N 0 0 453.314 4.121 50 0 JIAARN CC(=O)Oc1c(Br)cc(/C=C2\N=C(c3ccccc3)OC2=O)cc1Br ZINC000000711827 553767011 /nfs/dbraw/zinc/76/70/11/553767011.db2.gz MQVHIVAVBVKDSA-DHDCSXOGSA-N 0 0 465.097 4.481 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C(C)=O)c4ccccc4C3c3ccccc32)cc1 ZINC000000716624 553768706 /nfs/dbraw/zinc/76/87/06/553768706.db2.gz NOKGGHWKPMKNGM-UTNLWQBASA-N 0 0 465.505 4.003 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1OC ZINC000000840247 553793230 /nfs/dbraw/zinc/79/32/30/553793230.db2.gz PVNHGBYXWDEHGI-UHFFFAOYSA-N 0 0 496.629 4.259 50 0 biogenic JIAARN O=C1C=CC(=O)N1c1ccc(Oc2ccc(Oc3ccc(N4C(=O)C=CC4=O)cc3)cc2)cc1 ZINC000000842474 553793733 /nfs/dbraw/zinc/79/37/33/553793733.db2.gz NONXVXJKFUTKIT-UHFFFAOYSA-N 0 0 452.422 4.130 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000000847747 553797011 /nfs/dbraw/zinc/79/70/11/553797011.db2.gz YXEDRYYKDORTDP-UHFFFAOYSA-N 0 0 451.548 4.222 50 0 JIAARN O=C1C=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000000850778 553798261 /nfs/dbraw/zinc/79/82/61/553798261.db2.gz VTBLYDVOJMXTFT-UHFFFAOYSA-N 0 0 480.284 4.047 50 0 JIAARN COc1ccc(/C=C2\N=C(c3cc(I)ccc3Cl)OC2=O)c(OC)c1 ZINC000000865414 553804359 /nfs/dbraw/zinc/80/43/59/553804359.db2.gz RJDSWQAJOYEEDA-CHHVJCJISA-N 0 0 469.662 4.306 50 0 JIAARN O=C1OC(c2cc(I)ccc2Cl)=N/C1=C/c1ccc2c(c1)OCO2 ZINC000000865425 553804407 /nfs/dbraw/zinc/80/44/07/553804407.db2.gz RBZHDWLVIMNHAE-WLRTZDKTSA-N 0 0 453.619 4.018 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(OC)ccc2OC)c2ccc(C)cc2)cc1 ZINC000000870043 553808480 /nfs/dbraw/zinc/80/84/80/553808480.db2.gz ITDPJHSOMTVFCE-UHFFFAOYSA-N 0 0 484.574 4.245 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2CC)cc1 ZINC000000876345 553812923 /nfs/dbraw/zinc/81/29/23/553812923.db2.gz HFZRJMDBCAJCFG-UHFFFAOYSA-N 0 0 474.970 4.438 50 0 JIAARN COc1ccc(OC)c(N(CC(=O)Nc2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)c1 ZINC000000877059 553813261 /nfs/dbraw/zinc/81/32/61/553813261.db2.gz IDJAQTUGEOBTEQ-UHFFFAOYSA-N 0 0 490.965 4.200 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 ZINC000000879274 553815320 /nfs/dbraw/zinc/81/53/20/553815320.db2.gz GVUZALPNSCRAJG-UHFFFAOYSA-N 0 0 490.965 4.200 50 0 JIAARN COc1cc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2C)cc(OC)c1OC ZINC000000881703 553818431 /nfs/dbraw/zinc/81/84/31/553818431.db2.gz DNFRBZWAQUYNFL-UHFFFAOYSA-N 0 0 478.530 4.351 50 0 JIAARN COc1ccccc1NC(=O)c1sc2ncn(CC(=O)N3CCCc4ccccc43)c(=O)c2c1C ZINC000000936967 553874310 /nfs/dbraw/zinc/87/43/10/553874310.db2.gz CEKKIXGCEYBTRY-UHFFFAOYSA-N 0 0 488.569 4.007 50 0 JIAARN O=C1C(Cl)=C(Nc2cccc(I)c2)C(=O)N1Cc1ccccc1Cl ZINC000000938208 553875289 /nfs/dbraw/zinc/87/52/89/553875289.db2.gz OGTFVTWGRURJRX-UHFFFAOYSA-N 0 0 473.097 4.376 50 0 JIAARN CCOC(=O)c1c(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CCCC2 ZINC000000939148 553875783 /nfs/dbraw/zinc/87/57/83/553875783.db2.gz KCTJBQHXSBWZDO-SFHVURJKSA-N 0 0 468.575 4.453 50 0 JIAARN O=C1C(Cl)=C(Nc2ccc(Cl)cc2)C(=O)N1c1ccc(I)cc1 ZINC000000947617 553879675 /nfs/dbraw/zinc/87/96/75/553879675.db2.gz YFFPNAQBTSVQLP-UHFFFAOYSA-N 0 0 459.070 4.380 50 0 JIAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CSc1nnc2ccccn21 ZINC000000948820 553879846 /nfs/dbraw/zinc/87/98/46/553879846.db2.gz RJNBWJQDBJOPMY-UHFFFAOYSA-N 0 0 468.560 4.374 50 0 JIAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2ccc(Br)cc2)cc1 ZINC000000953708 553882653 /nfs/dbraw/zinc/88/26/53/553882653.db2.gz FPSPNNCKALEKTN-HSZRJFAPSA-N 0 0 499.430 4.190 50 0 biogenic,in-vitro JIAARN CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(OC)cc2)sc2c1CC[C@@H](C)C2 ZINC000000954969 553883179 /nfs/dbraw/zinc/88/31/79/553883179.db2.gz PKEPHGNZHOYVDD-INDWDQIESA-N 0 0 457.548 4.253 50 0 JIAARN Cc1cccc(NC(=O)c2c(C(=O)Nc3ccc(F)c(Cl)c3)sc3nc(=O)c(C)nn32)c1 ZINC000000957741 553884555 /nfs/dbraw/zinc/88/45/55/553884555.db2.gz SWVBBEPGQONVNS-UHFFFAOYSA-N 0 0 471.901 4.065 50 0 JIAARN CCOc1ccc(Br)cc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2ncnn21 ZINC000000959058 553885080 /nfs/dbraw/zinc/88/50/80/553885080.db2.gz XNCMWFYKGHLGCP-IBGZPJMESA-N 0 0 454.328 4.367 50 0 JIAARN COc1cccc(N(CC(=O)Nc2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 ZINC000000972347 553887802 /nfs/dbraw/zinc/88/78/02/553887802.db2.gz HUTLBMQVCHNBTA-UHFFFAOYSA-N 0 0 475.364 4.292 50 0 JIAARN O=C(Nc1ccc(Br)cn1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000973640 553888122 /nfs/dbraw/zinc/88/81/22/553888122.db2.gz UYBHPLKPJOSQBX-UHFFFAOYSA-N 0 0 463.217 4.220 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000000983450 553892395 /nfs/dbraw/zinc/89/23/95/553892395.db2.gz YQQCJEYTPUETJR-UHFFFAOYSA-N 0 0 472.950 4.254 50 0 JIAARN C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCC1=O ZINC000001057644 553902081 /nfs/dbraw/zinc/90/20/81/553902081.db2.gz IKCGJSFJAPRKDV-LLVKDONJSA-N 0 0 453.709 4.424 50 0 JIAARN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000001121246 553911926 /nfs/dbraw/zinc/91/19/26/553911926.db2.gz KZXLYDMBMOAVTG-UHFFFAOYSA-N 0 0 488.949 4.324 50 0 JIAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cc2ccccc2oc1=O ZINC000001150246 553916765 /nfs/dbraw/zinc/91/67/65/553916765.db2.gz PVECZOUIBQPFSW-AREMUKBSSA-N 0 0 459.885 4.454 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000001150387 553917134 /nfs/dbraw/zinc/91/71/34/553917134.db2.gz JAFSQSIWEPVYSX-UHFFFAOYSA-N 0 0 482.558 4.014 50 0 JIAARN O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1cccc(F)c1 ZINC000001167410 553920750 /nfs/dbraw/zinc/92/07/50/553920750.db2.gz JMBDPHRNKCXZRB-UHFFFAOYSA-N 0 0 477.355 4.418 50 0 JIAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2Cl)cc1 ZINC000001171291 553922543 /nfs/dbraw/zinc/92/25/43/553922543.db2.gz SZBFHTQBLQBXQN-UHFFFAOYSA-N 0 0 460.724 4.470 50 0 JIAARN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000001183342 553929700 /nfs/dbraw/zinc/92/97/00/553929700.db2.gz NFVJZRHPWGLMNE-UHFFFAOYSA-N 0 0 455.967 4.465 50 0 JIAARN CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1 ZINC000001263923 553938168 /nfs/dbraw/zinc/93/81/68/553938168.db2.gz INVUHAGFXOMHAA-UHFFFAOYSA-N 0 0 494.642 4.236 50 0 JIAARN Cn1ccc2cc(NC(=O)C(C)(C)N(CCCn3ccnc3)C(=O)Cc3ccccc3)ccc21 ZINC000001409476 553966581 /nfs/dbraw/zinc/96/65/81/553966581.db2.gz NPPGRMVGJPFQAF-UHFFFAOYSA-N 0 0 457.578 4.254 50 0 JIAARN O=C(Nc1cccc(NC(=S)NC(=O)c2ccccc2I)c1)c1ccco1 ZINC000001411743 553967087 /nfs/dbraw/zinc/96/70/87/553967087.db2.gz HONUSLQBAQGMGA-UHFFFAOYSA-N 0 0 491.310 4.263 50 0 JIAARN COc1cc(OC)cc(C(=O)OC[C@@H]2[C@@H](COC(=O)c3cc(OC)cc(OC)c3)C2(Cl)Cl)c1 ZINC000001462554 553975919 /nfs/dbraw/zinc/97/59/19/553975919.db2.gz IBBHAHPKMAYZHM-WOJBJXKFSA-N 0 0 499.343 4.155 50 0 JIAARN CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000002064376 554019428 /nfs/dbraw/zinc/01/94/28/554019428.db2.gz VIRNZOYEFLVKAT-UHFFFAOYSA-N 0 0 451.342 4.151 50 0 JIAARN CSCC[C@@H](C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000002064694 554019794 /nfs/dbraw/zinc/01/97/94/554019794.db2.gz MYCVHQVOZTVKCF-QHCPKHFHSA-N 0 0 473.550 4.497 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000002083766 554029358 /nfs/dbraw/zinc/02/93/58/554029358.db2.gz SRYQFRWLLITXMF-LJJBLSSYSA-N 0 0 464.562 4.061 50 0 JIAARN CC(C)C[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccc(C(C)C)cc1 ZINC000002092015 554035300 /nfs/dbraw/zinc/03/53/00/554035300.db2.gz YCDKZAIVFGSKQG-NWSQWKLXSA-N 0 0 464.610 4.154 50 0 biogenic JIAARN O=C1CN(Cc2ccc3c(c2)OCO3)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](CCc3ccccc3)N12 ZINC000002092931 554036419 /nfs/dbraw/zinc/03/64/19/554036419.db2.gz YZJCXRUNWHLEKM-DQEYMECFSA-N 0 0 493.563 4.366 50 0 biogenic JIAARN CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002092943 554036450 /nfs/dbraw/zinc/03/64/50/554036450.db2.gz YAFZCMWIBLGFSP-QHCPKHFHSA-N 0 0 477.538 4.431 50 0 JIAARN COc1ccccc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002100484 554042407 /nfs/dbraw/zinc/04/24/07/554042407.db2.gz DBUXXLWNDUYMCQ-GVCORALISA-N 0 0 455.551 4.230 50 0 JIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCC(C)CC4)CC(=O)N32)c1 ZINC000002100766 554042597 /nfs/dbraw/zinc/04/25/97/554042597.db2.gz AGMRYLZCJAJOQF-ZKUBHHAESA-N 0 0 457.574 4.440 50 0 biogenic JIAARN COC(=O)c1c2c(sc1NC(=S)NC(=O)c1ccc(Cn3cc(Cl)cn3)o1)CCCC2 ZINC000002109049 554048788 /nfs/dbraw/zinc/04/87/88/554048788.db2.gz OYDNIUKWGRPZAD-UHFFFAOYSA-N 0 0 478.983 4.032 50 0 JIAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC(C)C)CC(=O)N23)ccc1OC(C)C ZINC000002111016 554049711 /nfs/dbraw/zinc/04/97/11/554049711.db2.gz WFFLSZLDOYIXSH-WXVAWEFUSA-N 0 0 475.589 4.305 50 0 biogenic JIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCc4ccccc4)CC(=O)N23)cc1 ZINC000002112091 554050883 /nfs/dbraw/zinc/05/08/83/554050883.db2.gz FOSBKXCTEXKVKY-LITSAYRRSA-N 0 0 479.580 4.494 50 0 biogenic JIAARN CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)cc(CC)c12 ZINC000002149284 554068429 /nfs/dbraw/zinc/06/84/29/554068429.db2.gz SQUCESULCYBBJP-IBGZPJMESA-N 0 0 457.548 4.025 50 0 biogenic JIAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4OC)CC(=O)N32)cc1 ZINC000002151732 554070244 /nfs/dbraw/zinc/07/02/44/554070244.db2.gz VWNCNWHDAWVMDF-CUBQBAPOSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(CC)cc(=O)oc2c1 ZINC000002151974 554070483 /nfs/dbraw/zinc/07/04/83/554070483.db2.gz ZCCDTUYZCHVEAS-NRFANRHFSA-N 0 0 457.548 4.107 50 0 biogenic JIAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(O)c(OC)c2)cc1OC ZINC000002153244 554071046 /nfs/dbraw/zinc/07/10/46/554071046.db2.gz FHWABJAFXIDSEL-VWLOTQADSA-N 0 0 487.508 4.312 50 0 biogenic JIAARN CCOC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(C(=O)OC)=NN2c2ccccc2OC)S1 ZINC000002204449 554092179 /nfs/dbraw/zinc/09/21/79/554092179.db2.gz DMXIPJHZTWEOQI-HSZRJFAPSA-N 0 0 485.587 4.394 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CN(Cc3ccc4c(c3)OCO4)c3nc4ccccc4nc32)c1 ZINC000002211642 554095633 /nfs/dbraw/zinc/09/56/33/554095633.db2.gz VSEUDEWKIXPFET-UHFFFAOYSA-N 0 0 474.542 4.148 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)on3)nc2-c2ccc(OC)cc2)cc1 ZINC000002219237 554099931 /nfs/dbraw/zinc/09/99/31/554099931.db2.gz JAINMROVKLQQKR-UHFFFAOYSA-N 0 0 463.519 4.250 50 0 JIAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(CCc2ccc(Cl)cc2)C1=S ZINC000002231489 554105307 /nfs/dbraw/zinc/10/53/07/554105307.db2.gz WFJLPIPHXIJCSJ-GOSISDBHSA-N 0 0 450.391 4.382 50 0 JIAARN CCOC(=O)[C@](NC(=O)c1ccc(OC)cc1)(Nc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000002274918 554128492 /nfs/dbraw/zinc/12/84/92/554128492.db2.gz SLLCDGVIRRTCFE-GOSISDBHSA-N 0 0 464.362 4.378 50 0 JIAARN COc1ccc(CCNC(=O)c2c(N)n(-c3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002286836 554133539 /nfs/dbraw/zinc/13/35/39/554133539.db2.gz KKRZQKYWWUXGDP-UHFFFAOYSA-N 0 0 451.530 4.445 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000002314979 554145099 /nfs/dbraw/zinc/14/50/99/554145099.db2.gz YHRHWFJFEGCXJM-SQWSFHKJSA-N 0 0 473.381 4.105 50 0 JIAARN Cc1ccccc1C(=O)Nc1ccc(-c2nnc(SCC(=O)NCc3ccccc3)n2C)cc1 ZINC000002354127 554163084 /nfs/dbraw/zinc/16/30/84/554163084.db2.gz VCJMVKKGAADSCN-UHFFFAOYSA-N 0 0 471.586 4.451 50 0 JIAARN NC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002354518 554163440 /nfs/dbraw/zinc/16/34/40/554163440.db2.gz RXENFSGSTVAQHI-UHFFFAOYSA-N 0 0 493.976 4.329 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2Cc2ccco2)cc1OC ZINC000002358834 554164831 /nfs/dbraw/zinc/16/48/31/554164831.db2.gz LFTHFLJAJBXJLT-UHFFFAOYSA-N 0 0 470.576 4.320 50 0 JIAARN COc1ccc(NC(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc32)cc1OC ZINC000002374482 554172768 /nfs/dbraw/zinc/17/27/68/554172768.db2.gz PKFGZUQBQPTTMK-UHFFFAOYSA-N 0 0 453.502 4.485 50 0 JIAARN COc1nnc(-c2ccc(N3CCOCC3)c(NS(=O)(=O)c3ccc(C)cc3)c2)c2ccccc21 ZINC000002394362 554181393 /nfs/dbraw/zinc/18/13/93/554181393.db2.gz KLJOUYPDJDCDSF-UHFFFAOYSA-N 0 0 490.585 4.251 50 0 JIAARN COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000002398850 554184393 /nfs/dbraw/zinc/18/43/93/554184393.db2.gz WFALGJSNNQEEKQ-ZEQRLZLVSA-N 0 0 454.461 4.417 50 0 JIAARN Nn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccc(Cl)cc1Cl ZINC000002399441 554184968 /nfs/dbraw/zinc/18/49/68/554184968.db2.gz CDXYYWGBJBUWMP-UHFFFAOYSA-N 0 0 473.183 4.459 50 0 JIAARN CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3 ZINC000002399459 554184996 /nfs/dbraw/zinc/18/49/96/554184996.db2.gz HPWPTGYTHUXBDZ-JOCHJYFZSA-N 0 0 483.586 4.341 50 0 JIAARN CCOC(=O)C1=NN(c2ccccc2)[C@@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 ZINC000002404071 554187381 /nfs/dbraw/zinc/18/73/81/554187381.db2.gz ZJTDXKMLRLJNAF-JOCHJYFZSA-N 0 0 455.561 4.386 50 0 JIAARN Cc1ccc(S(=O)(=O)c2c(N)n(CCNC(=O)c3cccc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002420388 554197889 /nfs/dbraw/zinc/19/78/89/554197889.db2.gz FKYWOBCCGHGNMH-UHFFFAOYSA-N 0 0 499.596 4.046 50 0 JIAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Br)c1)N(c1nncs1)C3=O ZINC000002433735 554206508 /nfs/dbraw/zinc/20/65/08/554206508.db2.gz ZTPQCIJNEREMNX-MRXNPFEDSA-N 0 0 454.305 4.465 50 0 JIAARN COc1ccccc1CN1CN(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002434999 554207103 /nfs/dbraw/zinc/20/71/03/554207103.db2.gz BIUIONJIYOVQDW-UHFFFAOYSA-N 0 0 466.950 4.465 50 0 JIAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000002435657 554207406 /nfs/dbraw/zinc/20/74/06/554207406.db2.gz CKMGBKXAXQNDJS-UHFFFAOYSA-N 0 0 476.509 4.459 50 0 JIAARN COc1ccc(CCn2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1OC ZINC000002438588 554208668 /nfs/dbraw/zinc/20/86/68/554208668.db2.gz SHJOBKMSLWMAHB-UHFFFAOYSA-N 0 0 488.569 4.259 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(C)cc2)cc1 ZINC000002441248 554209766 /nfs/dbraw/zinc/20/97/66/554209766.db2.gz MQJOBKKVGZQKIG-UHFFFAOYSA-N 0 0 459.531 4.155 50 0 JIAARN CCCOc1ccc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)cc1OCC ZINC000002447899 554215394 /nfs/dbraw/zinc/21/53/94/554215394.db2.gz BGYODJZKAUAYEM-UYRXBGFRSA-N 0 0 486.391 4.316 50 0 JIAARN COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000002449432 554216496 /nfs/dbraw/zinc/21/64/96/554216496.db2.gz QYHBXRKBQHUVCN-LNRXMEIDSA-N 0 0 464.949 4.479 50 0 JIAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)N1CCc2ccccc21 ZINC000002459536 554223016 /nfs/dbraw/zinc/22/30/16/554223016.db2.gz AMBNJYKSLIFCCL-UHFFFAOYSA-N 0 0 455.992 4.216 50 0 JIAARN COc1cc(C(=O)Nc2nc3ccccc3s2)cc(CN2C(=O)c3ccccc3C2=O)c1OC ZINC000002617793 554242297 /nfs/dbraw/zinc/24/22/97/554242297.db2.gz XBMCQNAKQBLZLW-UHFFFAOYSA-N 0 0 473.510 4.362 50 0 JIAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)C(c1ccccc1)c1ccccc1 ZINC000002619935 554244463 /nfs/dbraw/zinc/24/44/63/554244463.db2.gz PKIXLWCKHMHCOQ-UHFFFAOYSA-N 0 0 450.922 4.112 50 0 JIAARN Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccncc1 ZINC000002621980 554246646 /nfs/dbraw/zinc/24/66/46/554246646.db2.gz UDJYFQSNJNFPSQ-UHFFFAOYSA-N 0 0 478.965 4.121 50 0 JIAARN COc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002627858 554250982 /nfs/dbraw/zinc/25/09/82/554250982.db2.gz AFQMXEVMTXJVTN-UHFFFAOYSA-N 0 0 456.951 4.133 50 0 JIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ncnc2sc(C)c(C)c21 ZINC000002637724 554258083 /nfs/dbraw/zinc/25/80/83/554258083.db2.gz MLOHWNAJTSXAFB-UHFFFAOYSA-N 0 0 455.458 4.370 50 0 JIAARN COc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)C(C)C)cc1 ZINC000002644666 554262433 /nfs/dbraw/zinc/26/24/33/554262433.db2.gz HKYHVDQOMYNRKL-VWLOTQADSA-N 0 0 481.570 4.091 50 0 JIAARN O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000002645091 554262779 /nfs/dbraw/zinc/26/27/79/554262779.db2.gz JTUNAGDVWBDYAP-CYBMUJFWSA-N 0 0 472.832 4.380 50 0 JIAARN C[C@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000002646060 554263594 /nfs/dbraw/zinc/26/35/94/554263594.db2.gz PMGOERULIQHDBI-SCLBCKFNSA-N 0 0 466.953 4.454 50 0 JIAARN Cn1nc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c2ccccc2c1=O ZINC000002646246 554263647 /nfs/dbraw/zinc/26/36/47/554263647.db2.gz MUOJCEFHWRYDIB-UHFFFAOYSA-N 0 0 463.877 4.175 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1n[nH]c(COc2ccc(Cl)c(C)c2)n1 ZINC000002650875 554266952 /nfs/dbraw/zinc/26/69/52/554266952.db2.gz UAMJZRWLCQEZGR-UHFFFAOYSA-N 0 0 460.943 4.253 50 0 JIAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)NCC1CCCCC1 ZINC000002651759 554267688 /nfs/dbraw/zinc/26/76/88/554267688.db2.gz TTZUYITWQSLXPI-UHFFFAOYSA-N 0 0 450.564 4.452 50 0 JIAARN COc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2-c2cccc(C)c2)cc1 ZINC000002651752 554267721 /nfs/dbraw/zinc/26/77/21/554267721.db2.gz DGSIFCAUYCNUGA-UHFFFAOYSA-N 0 0 456.531 4.106 50 0 JIAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nc4ccccc4s3)c2)cc1 ZINC000002653137 554269200 /nfs/dbraw/zinc/26/92/00/554269200.db2.gz JWAZGGXDBDUDRL-UHFFFAOYSA-N 0 0 453.545 4.382 50 0 JIAARN CCOc1ccc(C(=O)c2cn(Cc3ccccc3OC)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000002687706 554283734 /nfs/dbraw/zinc/28/37/34/554283734.db2.gz IQOKNMNMIZCZBP-UHFFFAOYSA-N 0 0 457.482 4.417 50 0 JIAARN CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc4c(cc32)OCO4)cc1 ZINC000002687796 554283740 /nfs/dbraw/zinc/28/37/40/554283740.db2.gz AYVOCNBZNSAWFK-UHFFFAOYSA-N 0 0 484.508 4.307 50 0 JIAARN Cc1ccc(S(=O)(=O)N/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000002688436 554284588 /nfs/dbraw/zinc/28/45/88/554284588.db2.gz GZLNXQXQDXFMLH-VYIQYICTSA-N 0 0 469.469 4.066 50 0 JIAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(F)ccc32)cc1OC 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0 457.939 4.373 50 0 JIAARN COc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(=O)Nc3ccc4c(c3)OCO4)nc2c1 ZINC000008759306 554661180 /nfs/dbraw/zinc/66/11/80/554661180.db2.gz DARMBEGAYICQBM-UHFFFAOYSA-N 0 0 476.514 4.283 50 0 JIAARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)OCCO3 ZINC000008762904 554662783 /nfs/dbraw/zinc/66/27/83/554662783.db2.gz DLBBYECGUCSMOQ-HNNXBMFYSA-N 0 0 477.529 4.483 50 0 JIAARN COc1ccc(CN2CC(=O)N3C[C@H](c4ccccc4OC)c4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000008788887 554680965 /nfs/dbraw/zinc/68/09/65/554680965.db2.gz UUPHGWRYENLFCH-DJUQAAIZSA-N 0 0 495.579 4.417 50 0 biogenic JIAARN CCCOc1ccc([C@@H]2CN3C(=O)CN(CCC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000008789166 554681440 /nfs/dbraw/zinc/68/14/40/554681440.db2.gz LDLLQQPQLQFWIF-MMTVBGGISA-N 0 0 475.589 4.407 50 0 biogenic JIAARN CCOc1ccccc1C(=O)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 ZINC000008794146 554686410 /nfs/dbraw/zinc/68/64/10/554686410.db2.gz QKMDDWAEBKGQNT-UHFFFAOYSA-N 0 0 454.577 4.261 50 0 JIAARN O=C(NC1CCCCC1)C1(N(C[C@@H]2CCCO2)C(=O)c2ccc3c(c2)OCO3)CCCCC1 ZINC000008801937 554687279 /nfs/dbraw/zinc/68/72/79/554687279.db2.gz WKPVGRNNUUPOAK-NRFANRHFSA-N 0 0 456.583 4.188 50 0 JIAARN CCN(CCCNC(=O)c1c(F)ccc(S(=O)(=O)N2CCCCCC2)c1F)c1cccc(C)c1 ZINC000008811206 554692139 /nfs/dbraw/zinc/69/21/39/554692139.db2.gz NXQPKYGKZDKJSO-UHFFFAOYSA-N 0 0 493.620 4.484 50 0 JIAARN CC[C@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000008815748 554697185 /nfs/dbraw/zinc/69/71/85/554697185.db2.gz AYIUXFNMJWPNCM-BKQORJHRSA-N 0 0 471.941 4.366 50 0 JIAARN COc1ccc(/C=C/C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000008824586 554711632 /nfs/dbraw/zinc/71/16/32/554711632.db2.gz STADTPARQDNIHA-UVEFMEQMSA-N 0 0 454.592 4.077 50 0 JIAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Oc1ccc(Br)cc1Cl)C2=O ZINC000008824891 554712335 /nfs/dbraw/zinc/71/23/35/554712335.db2.gz CHXRZGCRHFMPMZ-WLRWDXFRSA-N 0 0 457.752 4.145 50 0 JIAARN NC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3c(=O)n1-c1ccccc1)CCCC2 ZINC000008825327 554713489 /nfs/dbraw/zinc/71/34/89/554713489.db2.gz MTLWXMWXXAKECS-UHFFFAOYSA-N 0 0 490.610 4.156 50 0 JIAARN O=S(=O)(c1ccc(I)cc1)N1CCS[C@H]1c1ccc(Cl)cc1 ZINC000008834497 554732432 /nfs/dbraw/zinc/73/24/32/554732432.db2.gz DLAZYQNUPKKFDD-HNNXBMFYSA-N 0 0 465.765 4.381 50 0 JIAARN COc1cc(Br)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000008843614 554740689 /nfs/dbraw/zinc/74/06/89/554740689.db2.gz FPPVOXNDKUUDCA-GOSISDBHSA-N 0 0 480.746 4.386 50 0 JIAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2c(=O)[nH]nc(-c3ccccc3)c2-c2ccccc2)c1 ZINC000008844298 554741351 /nfs/dbraw/zinc/74/13/51/554741351.db2.gz ZIQSINITDREYRB-UHFFFAOYSA-N 0 0 483.480 4.342 50 0 JIAARN O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2)c1cc(-c2ccccc2O)[nH]n1 ZINC000008845498 554742829 /nfs/dbraw/zinc/74/28/29/554742829.db2.gz PRZYWFUQJDFMOK-UHFFFAOYSA-N 0 0 462.531 4.498 50 0 JIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)n[nH]2)c(O)c1C ZINC000008845663 554743459 /nfs/dbraw/zinc/74/34/59/554743459.db2.gz SWEKNNODMMGPGB-MRXNPFEDSA-N 0 0 468.579 4.215 50 0 JIAARN Cn1c2nc3n(cc(-c4ccc(Cl)cc4)n3CC34CC5CC(CC(C5)C3)C4)c2c(=O)n(C)c1=O ZINC000008846458 554744966 /nfs/dbraw/zinc/74/49/66/554744966.db2.gz YDEZOQYTQOVSMA-UHFFFAOYSA-N 0 0 477.996 4.223 50 0 JIAARN CC[C@H](c1nnc(S[C@@H](C)C(=O)N2CCc3ccccc3C2)n1Cc1ccccc1)N(C)C ZINC000008849963 554747163 /nfs/dbraw/zinc/74/71/63/554747163.db2.gz BEUOCHDCAHZNFE-WMZHIEFXSA-N 0 0 463.651 4.405 50 0 JIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(NC(C)=O)cc3)cs2)c1 ZINC000008851248 554748102 /nfs/dbraw/zinc/74/81/02/554748102.db2.gz OHJZEWOZAZNYIX-UHFFFAOYSA-N 0 0 470.576 4.022 50 0 JIAARN COc1cc(CSc2nc(CC(=O)NCc3ccc4c(c3)OCO4)cs2)cc(OC)c1 ZINC000008853651 554749506 /nfs/dbraw/zinc/74/95/06/554749506.db2.gz NIKQWKUINJFCOE-UHFFFAOYSA-N 0 0 458.561 4.040 50 0 JIAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCC3(c4ccccc4)CC3)CC2)c1C ZINC000008855648 554751366 /nfs/dbraw/zinc/75/13/66/554751366.db2.gz CEGVBSIIQUYSBC-UHFFFAOYSA-N 0 0 454.636 4.169 50 0 JIAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1 ZINC000008855694 554751372 /nfs/dbraw/zinc/75/13/72/554751372.db2.gz XYAHAZCFNSNPRG-UHFFFAOYSA-N 0 0 462.527 4.199 50 0 JIAARN Cc1ccc2nc(CSc3nnc(NC(=O)c4cccc(Br)c4)s3)cc(=O)n2c1 ZINC000008860269 554756821 /nfs/dbraw/zinc/75/68/21/554756821.db2.gz HOEUZIYEXBHIAC-UHFFFAOYSA-N 0 0 488.392 4.162 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnnn2-c2ccccc2)cc1 ZINC000008861084 554757795 /nfs/dbraw/zinc/75/77/95/554757795.db2.gz XOZHWDKGDGQXSQ-QHCPKHFHSA-N 0 0 470.558 4.141 50 0 JIAARN Cc1ccc(-c2csc3ncnc(SCC(=O)N4CCN(C(=O)c5ccco5)CC4)c23)cc1 ZINC000008861552 554758766 /nfs/dbraw/zinc/75/87/66/554758766.db2.gz MTDCPBCHYNGEPG-UHFFFAOYSA-N 0 0 478.599 4.336 50 0 JIAARN Cc1nc2cc(NC(=O)CSc3nnc(-c4ccc(F)cc4)n3C[C@H]3CCCO3)ccc2o1 ZINC000008861819 554759122 /nfs/dbraw/zinc/75/91/22/554759122.db2.gz YVMITNQWWGRZFN-GOSISDBHSA-N 0 0 467.526 4.444 50 0 JIAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000008862204 554759708 /nfs/dbraw/zinc/75/97/08/554759708.db2.gz MOXGXRVGCHOCIT-UHFFFAOYSA-N 0 0 493.633 4.489 50 0 JIAARN CC[C@@H](N1C(=O)N[C@](NC(=O)c2ccc(F)cc2)(C(F)(F)F)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000008868600 554762143 /nfs/dbraw/zinc/76/21/43/554762143.db2.gz IURLZLXNDXHRJK-IUHXZHBMSA-N 0 0 481.490 4.361 50 0 JIAARN COCCCNC(=O)c1c(NC(=O)c2cc(=O)c3cc(C)ccc3o2)sc2c1CCCC2 ZINC000008869206 554763052 /nfs/dbraw/zinc/76/30/52/554763052.db2.gz AVRLBUHNQFOEJE-UHFFFAOYSA-N 0 0 454.548 4.060 50 0 JIAARN Cc1cc(OCC(=O)N(Cc2cccc3ccccc32)[C@@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000008869847 554763836 /nfs/dbraw/zinc/76/38/36/554763836.db2.gz BDYFNTWNARDJAA-HXUWFJFHSA-N 0 0 457.979 4.396 50 0 JIAARN COC(=O)C1CCN(CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccc(OC)cc2)CC1 ZINC000008877755 554773172 /nfs/dbraw/zinc/77/31/72/554773172.db2.gz PHNQEEHBIGAVSG-MHZLTWQESA-N 0 0 485.584 4.411 50 0 JIAARN COC(=O)C1CCN(CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000008877760 554773183 /nfs/dbraw/zinc/77/31/83/554773183.db2.gz PHNQEEHBIGAVSG-HHHXNRCGSA-N 0 0 485.584 4.411 50 0 JIAARN CCCN1c2ccc(Br)cc2[C@@]2(C1=O)c1[nH]c3ccccc3c1CCN2C(C)=O ZINC000008878626 554774316 /nfs/dbraw/zinc/77/43/16/554774316.db2.gz IKHQMVAUFRDENE-QHCPKHFHSA-N 0 0 452.352 4.335 50 0 biogenic JIAARN O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)c1ccccc1 ZINC000008882246 554777172 /nfs/dbraw/zinc/77/71/72/554777172.db2.gz BLFVKEQMCBIVGK-UHFFFAOYSA-N 0 0 485.323 4.136 50 0 JIAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)C1=O ZINC000008882934 554777791 /nfs/dbraw/zinc/77/77/91/554777791.db2.gz GVYQQSYTWJUMRC-DFBJGRDBSA-N 0 0 492.626 4.431 50 0 JIAARN CCc1nnc(NC(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)s1 ZINC000008900236 554792124 /nfs/dbraw/zinc/79/21/24/554792124.db2.gz KSDXELWKAOYABA-UGKGYDQZSA-N 0 0 466.563 4.241 50 0 JIAARN CC(=O)N(c1cccc(-c2nc3ccccc3c(=O)o2)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000008908654 554800153 /nfs/dbraw/zinc/80/01/53/554800153.db2.gz UCOFLUSQGGORCG-UHFFFAOYSA-N 0 0 499.342 4.359 50 0 JIAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCc2c[nH]c3ccccc23)s1 ZINC000008912416 554802397 /nfs/dbraw/zinc/80/23/97/554802397.db2.gz DNRMCFWVXRSASE-UHFFFAOYSA-N 0 0 489.644 4.214 50 0 JIAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccccc2OC)s1 ZINC000008912457 554802616 /nfs/dbraw/zinc/80/26/16/554802616.db2.gz IJJZCNDJYRYCTK-UHFFFAOYSA-N 0 0 487.024 4.044 50 0 JIAARN Cc1cc2occ(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)c2c(C)c1 ZINC000008916398 554810670 /nfs/dbraw/zinc/81/06/70/554810670.db2.gz RDVANZRTHMMHMD-ROUUACIJSA-N 0 0 456.564 4.029 50 0 JIAARN CCCOc1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008916330 554810691 /nfs/dbraw/zinc/81/06/91/554810691.db2.gz PNGLEHVXHIDSPV-SFHVURJKSA-N 0 0 489.977 4.065 50 0 JIAARN Cc1ccccc1CSc1ncc(Cl)c(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000008917601 554812871 /nfs/dbraw/zinc/81/28/71/554812871.db2.gz MDGAKIRFUBZKHJ-QGZVFWFLSA-N 0 0 492.022 4.153 50 0 JIAARN C[C@]12C(=O)N(c3cccc(C(=O)NCc4ccccc4)c3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000008918123 554814201 /nfs/dbraw/zinc/81/42/01/554814201.db2.gz ZVQXLHOLWMUBAC-NDEPHWFRSA-N 0 0 464.525 4.338 50 0 biogenic JIAARN O=C(CN(Cc1cccs1)Cc1cccs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008924199 554821368 /nfs/dbraw/zinc/82/13/68/554821368.db2.gz NOLKXHVSQPDEIB-UHFFFAOYSA-N 0 0 475.661 4.235 50 0 JIAARN O=C(CN1c2ccccc2S(=O)(=O)[C@H](c2ccccc2)CC1=O)Nc1ccc(Br)cc1 ZINC000008931857 554826040 /nfs/dbraw/zinc/82/60/40/554826040.db2.gz JBHFYJIWAYPZHQ-NRFANRHFSA-N 0 0 499.386 4.340 50 0 JIAARN CN(Cc1ccccc1)C(=O)Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O ZINC000008933313 554827372 /nfs/dbraw/zinc/82/73/72/554827372.db2.gz ANYNATRQCWNEHH-UHFFFAOYSA-N 0 0 454.505 4.197 50 0 JIAARN CC1CCC(NC(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)CC1 ZINC000008933725 554828105 /nfs/dbraw/zinc/82/81/05/554828105.db2.gz IDDIIZJSACGUQD-UHFFFAOYSA-N 0 0 459.594 4.210 50 0 JIAARN 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O=C(Nc1nc2c(s1)COc1ccccc1-2)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008977523 554846271 /nfs/dbraw/zinc/84/62/71/554846271.db2.gz UXXHGCRCKXCHER-MRXNPFEDSA-N 0 0 475.979 4.148 50 0 JIAARN CCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)cc1 ZINC000008986763 554849443 /nfs/dbraw/zinc/84/94/43/554849443.db2.gz KSYMWHJTJXBPSV-XMMPIXPASA-N 0 0 453.564 4.233 50 0 JIAARN CCN(CC)C(=O)[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1 ZINC000008988601 554851174 /nfs/dbraw/zinc/85/11/74/554851174.db2.gz ACTKYDAMLMERMN-DENIHFKCSA-N 0 0 451.592 4.277 50 0 JIAARN CC(C)Cn1c(SCC(=O)N2CCN(C(=O)C3CC3)CC2)nnc1-c1ccc(Cl)cc1Cl ZINC000009048349 554871027 /nfs/dbraw/zinc/87/10/27/554871027.db2.gz MMABINWTJFTODN-UHFFFAOYSA-N 0 0 496.464 4.081 50 0 JIAARN Cc1cc(Br)c(OCC(=O)Nc2ccccc2SCC(N)=O)c(Br)c1 ZINC000009050500 554871633 /nfs/dbraw/zinc/87/16/33/554871633.db2.gz FJMPHVWNDUFXDG-UHFFFAOYSA-N 0 0 488.201 4.115 50 0 JIAARN COc1ccc(CN2C(=S)N(Cc3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 ZINC000009065121 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Cc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000019882077 555527007 /nfs/dbraw/zinc/52/70/07/555527007.db2.gz XQFOYAQHQMPZOE-JOCHJYFZSA-N 0 0 497.389 4.131 50 0 JIAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2F)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000009829898 555528812 /nfs/dbraw/zinc/52/88/12/555528812.db2.gz JLZMDHWGMLSIKD-UHFFFAOYSA-N 0 0 466.490 4.122 50 0 JIAARN COc1ccc(Br)cc1CN1CCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000019889301 555529096 /nfs/dbraw/zinc/52/90/96/555529096.db2.gz WDZRSKFLGYLHDF-UHFFFAOYSA-N 0 0 469.379 4.334 50 0 JIAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2C)c(=O)n3Cc2ccc(C)cc2)C1 ZINC000009830567 555530501 /nfs/dbraw/zinc/53/05/01/555530501.db2.gz RMOBTWRIMIGYPF-UHFFFAOYSA-N 0 0 494.016 4.437 50 0 JIAARN COc1ccc2c(C)c(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)c(=O)oc2c1OC ZINC000013608853 555532461 /nfs/dbraw/zinc/53/24/61/555532461.db2.gz YBPWZCIFDBGMEU-UHFFFAOYSA-N 0 0 454.910 4.155 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1)C(=O)OC 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/nfs/dbraw/zinc/55/72/17/555557217.db2.gz IQMWHYGVHDIYBJ-RUZDIDTESA-N 0 0 481.474 4.481 50 0 JIAARN O=C(Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000009856839 555557480 /nfs/dbraw/zinc/55/74/80/555557480.db2.gz RIPLFMHGXDYDSN-UHFFFAOYSA-N 0 0 470.909 4.266 50 0 JIAARN CS(=O)(=O)c1ccc2nc([N-]S(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)sc2c1 ZINC000009969659 555566385 /nfs/dbraw/zinc/56/63/85/555566385.db2.gz HTXGPPBQLKIEGM-UHFFFAOYSA-N 0 0 471.796 4.461 50 0 JIAARN COc1cccc(N2CCN(C(=O)c3sc(-c4ccc(OC)c(OC)c4)nc3C)CC2)c1 ZINC000013686525 555580020 /nfs/dbraw/zinc/58/00/20/555580020.db2.gz NMEWMWKCCRVNSY-UHFFFAOYSA-N 0 0 453.564 4.107 50 0 JIAARN O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000009982016 555582007 /nfs/dbraw/zinc/58/20/07/555582007.db2.gz FVUKDXNPQQLCKS-UHFFFAOYSA-N 0 0 452.308 4.174 50 0 JIAARN CCCCCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1 ZINC000009982628 555582259 /nfs/dbraw/zinc/58/22/59/555582259.db2.gz JHQZPLVOZLBLOM-UHFFFAOYSA-N 0 0 453.583 4.181 50 0 JIAARN CCCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000009983177 555582755 /nfs/dbraw/zinc/58/27/55/555582755.db2.gz QJBSENVZHKVHLG-HOTGVXAUSA-N 0 0 466.987 4.179 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000009984637 555583922 /nfs/dbraw/zinc/58/39/22/555583922.db2.gz OTUDYBYOYJIEFN-QHCPKHFHSA-N 0 0 457.534 4.485 50 0 JIAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3ccc(Cl)c(N)c3)cc2)cc1 ZINC000009985283 555584139 /nfs/dbraw/zinc/58/41/39/555584139.db2.gz RJOVWNXRFOJIHR-UHFFFAOYSA-N 0 0 467.909 4.369 50 0 JIAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000009987131 555586029 /nfs/dbraw/zinc/58/60/29/555586029.db2.gz QQIDYOJAGIMOAU-AWEZNQCLSA-N 0 0 469.390 4.222 50 0 JIAARN Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCCCC3)c(OCCN3CCOCC3)c21 ZINC000013692526 555587462 /nfs/dbraw/zinc/58/74/62/555587462.db2.gz RGZUWNNDLPBTIB-UHFFFAOYSA-N 0 0 466.607 4.004 50 0 JIAARN COc1cc2c(c3oc(=O)c(CC(=O)N4CCN(c5ccccc5)CC4)c(C)c13)CCC(C)(C)O2 ZINC000013693025 555587982 /nfs/dbraw/zinc/58/79/82/555587982.db2.gz MAGWFJPQAIARTQ-UHFFFAOYSA-N 0 0 476.573 4.105 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000009996037 555589252 /nfs/dbraw/zinc/58/92/52/555589252.db2.gz UXKXSYZLQKHLDD-UHFFFAOYSA-N 0 0 453.546 4.321 50 0 JIAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(Cl)cc3)c2)cc1 ZINC000010021885 555597458 /nfs/dbraw/zinc/59/74/58/555597458.db2.gz MSGLBVUARXSISJ-UHFFFAOYSA-N 0 0 458.967 4.446 50 0 JIAARN COc1ccc2c(CCNC(=O)CCNC(=O)C(c3ccccc3)c3ccccc3)c[nH]c2c1 ZINC000013723273 555598794 /nfs/dbraw/zinc/59/87/94/555598794.db2.gz JREDEQRSSAQSGT-UHFFFAOYSA-N 0 0 455.558 4.174 50 0 JIAARN COc1cc(C(=O)Nc2ccc3c(c2)nc2n3CCN(C3CCCC3)C2)cc(OC)c1OC ZINC000013727663 555601596 /nfs/dbraw/zinc/60/15/96/555601596.db2.gz GRYWKSCVAZATCC-UHFFFAOYSA-N 0 0 450.539 4.073 50 0 JIAARN CC(=O)c1ccc(N2CCN(C(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)CC2)c(F)c1 ZINC000010037800 555604369 /nfs/dbraw/zinc/60/43/69/555604369.db2.gz IYSLTGBDNDCPGN-UHFFFAOYSA-N 0 0 469.520 4.238 50 0 JIAARN CCCCCCOc1ccc(N2C(=O)C[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000020033134 555608378 /nfs/dbraw/zinc/60/83/78/555608378.db2.gz IFEGAKSFXFLWRL-QHCPKHFHSA-N 0 0 468.594 4.469 50 0 JIAARN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1cccc(Br)c1 ZINC000010077793 555615720 /nfs/dbraw/zinc/61/57/20/555615720.db2.gz WCISBKGKSPDZNJ-UHFFFAOYSA-N 0 0 461.337 4.267 50 0 JIAARN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3CCc4ccccc4C3)cc2)c1 ZINC000010077945 555615725 /nfs/dbraw/zinc/61/57/25/555615725.db2.gz LWBAKMLLCSYXRX-UHFFFAOYSA-N 0 0 450.560 4.068 50 0 JIAARN CCOC(=O)C1=C(CN2CCN(c3cc(Cl)ccc3C)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000020045841 555616618 /nfs/dbraw/zinc/61/66/18/555616618.db2.gz GSXILVYBMZNMDE-VWLOTQADSA-N 0 0 497.039 4.374 50 0 JIAARN COc1cc(C=C2SC(=O)NC2=O)ccc1OCc1ccc(I)cc1 ZINC000013798697 555620370 /nfs/dbraw/zinc/62/03/70/555620370.db2.gz AKDSZBAOAGVKGS-SXGWCWSVSA-N 0 0 467.284 4.203 50 0 JIAARN COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NCc2ccc(C)cc2)cc1 ZINC000020069122 555625925 /nfs/dbraw/zinc/62/59/25/555625925.db2.gz NFXYEWKGOGYLES-DHIUTWEWSA-N 0 0 471.586 4.338 50 0 JIAARN CC(C)C[C@@H](C(=O)OCC(=O)C(C)(C)C)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013856073 555634524 /nfs/dbraw/zinc/63/45/24/555634524.db2.gz BYEXFDFSTFLUGE-UABDEGSLSA-N 0 0 487.596 4.452 50 0 JIAARN CCn1c2ccccc2c2cc(NC(=O)CCNC(=O)Cn3ccc4ccccc4c3=O)ccc21 ZINC000020104786 555637334 /nfs/dbraw/zinc/63/73/34/555637334.db2.gz FAWHCGJKOIVVIA-UHFFFAOYSA-N 0 0 466.541 4.274 50 0 JIAARN COc1ccc(C2=NN(C(=O)CSc3nc(C)c(C)c(=O)[nH]3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000010186322 555639759 /nfs/dbraw/zinc/63/97/59/555639759.db2.gz LXJBQUWFDJRZJM-NRFANRHFSA-N 0 0 466.538 4.004 50 0 JIAARN CN1CCN(c2ccc(-c3cccc(NC(=O)COc4ccc(Cl)cc4Cl)c3)nn2)CC1 ZINC000010186600 555640083 /nfs/dbraw/zinc/64/00/83/555640083.db2.gz HOVUEWSGLRURJL-UHFFFAOYSA-N 0 0 472.376 4.220 50 0 JIAARN O=C(Cn1c(=O)oc2ccccc21)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020107428 555640940 /nfs/dbraw/zinc/64/09/40/555640940.db2.gz LGEVMBBKIDNCMT-VWLOTQADSA-N 0 0 461.949 4.182 50 0 biogenic JIAARN COc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2c1 ZINC000010187520 555643317 /nfs/dbraw/zinc/64/33/17/555643317.db2.gz UHFRTGBERFLCNW-UHFFFAOYSA-N 0 0 481.599 4.402 50 0 JIAARN COc1ccc(OC)c2sc(N(Cc3ccccc3)C(=O)CS(=O)(=O)c3ccccc3)nc21 ZINC000010187544 555643565 /nfs/dbraw/zinc/64/35/65/555643565.db2.gz IIWIFSSMHUOLTQ-UHFFFAOYSA-N 0 0 482.583 4.321 50 0 JIAARN COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)CCS(=O)(=O)c3ccccc3)nc21 ZINC000010187695 555643906 /nfs/dbraw/zinc/64/39/06/555643906.db2.gz FHFSSKXOQRVHFI-UHFFFAOYSA-N 0 0 481.599 4.406 50 0 JIAARN O=C(c1cc2cccnc2n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1 ZINC000010188133 555644761 /nfs/dbraw/zinc/64/47/61/555644761.db2.gz VSTULBNKVWDZJA-UHFFFAOYSA-N 0 0 476.939 4.200 50 0 JIAARN COc1cc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cc(Cl)c1OCC(N)=O ZINC000010192874 555645382 /nfs/dbraw/zinc/64/53/82/555645382.db2.gz UBTGCQRXWMCJAF-UHFFFAOYSA-N 0 0 457.939 4.152 50 0 JIAARN COCCN(Cc1cccs1)C(=O)CSc1nnc(N2CCCCC2)n1-c1ccc(C)cc1 ZINC000010194998 555645426 /nfs/dbraw/zinc/64/54/26/555645426.db2.gz JUXTWYZRKDJQRH-UHFFFAOYSA-N 0 0 485.679 4.395 50 0 JIAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000010214475 555648088 /nfs/dbraw/zinc/64/80/88/555648088.db2.gz CRPSRVLDWPNYOH-UHFFFAOYSA-N 0 0 492.630 4.175 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3cc(OC)cc(OC)c3)cc2)cc1 ZINC000013936423 555649234 /nfs/dbraw/zinc/64/92/34/555649234.db2.gz OCYBYUWGQSPNEA-UHFFFAOYSA-N 0 0 473.576 4.322 50 0 JIAARN O=C(Nc1nnc(Cc2ccccc2)s1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000010218774 555651642 /nfs/dbraw/zinc/65/16/42/555651642.db2.gz KFCRYCPKZKPOJI-UHFFFAOYSA-N 0 0 496.658 4.047 50 0 JIAARN Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1C ZINC000013940863 555652128 /nfs/dbraw/zinc/65/21/28/555652128.db2.gz MJUGUPJNLXRWOW-UHFFFAOYSA-N 0 0 464.378 4.091 50 0 JIAARN COc1ccc(S(=O)(=O)CC(=O)N(Cc2cccnc2)c2nc3cc(C)c(C)cc3s2)cc1 ZINC000010219438 555652735 /nfs/dbraw/zinc/65/27/35/555652735.db2.gz CISVJZQXZMAYDL-UHFFFAOYSA-N 0 0 481.599 4.324 50 0 JIAARN CCCn1c(SCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)nnc1-c1cccc(C)c1 ZINC000010220065 555653308 /nfs/dbraw/zinc/65/33/08/555653308.db2.gz DVLXFHMBGIRPBS-UHFFFAOYSA-N 0 0 478.622 4.132 50 0 JIAARN Cc1ccccc1N1C[C@@H](c2nnc(NC(=O)c3cccc(Br)c3)s2)CC1=O ZINC000013944284 555655611 /nfs/dbraw/zinc/65/56/11/555655611.db2.gz PVTHFBCWWZXHIH-AWEZNQCLSA-N 0 0 457.353 4.382 50 0 JIAARN COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3C)C2)s1 ZINC000013944595 555656378 /nfs/dbraw/zinc/65/63/78/555656378.db2.gz PALTUDZZBAVFOU-CQSZACIVSA-N 0 0 499.980 4.240 50 0 JIAARN CCC(=O)Nc1cccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)s2)c1 ZINC000013944619 555656681 /nfs/dbraw/zinc/65/66/81/555656681.db2.gz FIECSNVPVWXGER-QGZVFWFLSA-N 0 0 463.563 4.276 50 0 JIAARN CCn1c(CC(=O)Nc2cccc(C(F)(F)F)c2)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000013955865 555659971 /nfs/dbraw/zinc/65/99/71/555659971.db2.gz MCEOFVWJYSCFFG-WMLDXEAASA-N 0 0 483.560 4.285 50 0 JIAARN Cc1cc(=O)c(C(=O)N2CCN(Cc3ccccc3)CC2)c(CCc2ccccc2)n1C[C@H]1CCCO1 ZINC000020137516 555661378 /nfs/dbraw/zinc/66/13/78/555661378.db2.gz VRCADXRZBSJROG-HHHXNRCGSA-N 0 0 499.655 4.079 50 0 JIAARN CCOc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(C(F)(F)F)c3)c2=O)cc1 ZINC000020139030 555662180 /nfs/dbraw/zinc/66/21/80/555662180.db2.gz ZIWOZOJMGVKDKE-UHFFFAOYSA-N 0 0 489.475 4.270 50 0 JIAARN Cc1ccc(N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)N2CCCCC2)cc1 ZINC000010254529 555662330 /nfs/dbraw/zinc/66/23/30/555662330.db2.gz RBJFSGZLZZNDLN-UHFFFAOYSA-N 0 0 455.580 4.032 50 0 JIAARN CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Sc3ccccc3)C2)c(C)n1 ZINC000013959992 555663000 /nfs/dbraw/zinc/66/30/00/555663000.db2.gz NWKFQRREBPWWCN-LJQANCHMSA-N 0 0 484.647 4.402 50 0 JIAARN CCCn1nc(C)c2c1nc(-c1cnn(C)c1C)cc2C(=O)N1CC[C@@H](C(F)(F)F)n2nccc21 ZINC000013960971 555665253 /nfs/dbraw/zinc/66/52/53/555665253.db2.gz FBLLDGBIEZEUCX-SFHVURJKSA-N 0 0 486.502 4.209 50 0 JIAARN CCOC(=O)C1=C(CN2CCCC[C@H]2c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000013961004 555665500 /nfs/dbraw/zinc/66/55/00/555665500.db2.gz LZKPPLWELVQRAT-JYFHCDHNSA-N 0 0 493.604 4.240 50 0 JIAARN Cc1ccc(NC(=O)CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(F)cc3)C2=O)c(C)c1 ZINC000010272431 555665969 /nfs/dbraw/zinc/66/59/69/555665969.db2.gz RLEDGBKRGAAOLO-SANMLTNESA-N 0 0 475.545 4.361 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCCCc2ccccc2)cc1 ZINC000013987378 555667442 /nfs/dbraw/zinc/66/74/42/555667442.db2.gz JMSUOJUXGVNNBN-UHFFFAOYSA-N 0 0 452.576 4.030 50 0 JIAARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)N=C2S[C@@H](CC)C(=O)N2CCOCC2)cc1 ZINC000020151953 555669116 /nfs/dbraw/zinc/66/91/16/555669116.db2.gz YFVYSCBVBPULEC-RJYQMNAMSA-N 0 0 497.592 4.339 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000010276118 555670903 /nfs/dbraw/zinc/67/09/03/555670903.db2.gz MNCHOHPPMWTULI-UHFFFAOYSA-N 0 0 479.606 4.017 50 0 JIAARN O=C(c1ccc(COc2ccccc2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000014084112 555683304 /nfs/dbraw/zinc/68/33/04/555683304.db2.gz UBHZXYGDJVSFNP-UHFFFAOYSA-N 0 0 477.007 4.127 50 0 JIAARN COc1ccc2nc3sc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3cc2c1 ZINC000020178810 555684058 /nfs/dbraw/zinc/68/40/58/555684058.db2.gz LFRJLNUVHYCUDK-UHFFFAOYSA-N 0 0 461.543 4.145 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2OC)S3)C1 ZINC000020179679 555685510 /nfs/dbraw/zinc/68/55/10/555685510.db2.gz PILGEBVKCVFTNU-IQJJTXKVSA-N 0 0 480.586 4.220 50 0 JIAARN COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000014099694 555688944 /nfs/dbraw/zinc/68/89/44/555688944.db2.gz OSDSWIHVMOCDEO-UHFFFAOYSA-N 0 0 468.291 4.015 50 0 JIAARN CCOc1ccccc1OCCCC(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000014110980 555690439 /nfs/dbraw/zinc/69/04/39/555690439.db2.gz NDCUCUYECNGFTF-UHFFFAOYSA-N 0 0 452.507 4.102 50 0 JIAARN CCOc1cccc(-c2cc(C(=O)Nc3cnn(C)c3C(N)=O)c3cc(Br)ccc3n2)c1 ZINC000020189863 555691104 /nfs/dbraw/zinc/69/11/04/555691104.db2.gz LIWJUGGNYQPZPS-UHFFFAOYSA-N 0 0 494.349 4.148 50 0 JIAARN COc1ccc(-n2nnnc2SCC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)cc1 ZINC000014112973 555691261 /nfs/dbraw/zinc/69/12/61/555691261.db2.gz DGGCSOGGMZNEJH-NRFANRHFSA-N 0 0 451.577 4.039 50 0 JIAARN O=C(CN1CCN(c2cc(-c3nc4ccccc4s3)c3ccccc3n2)CC1)N1CCCC1 ZINC000014116435 555692189 /nfs/dbraw/zinc/69/21/89/555692189.db2.gz KKGRRDULJAPZGQ-UHFFFAOYSA-N 0 0 457.603 4.256 50 0 JIAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000014120918 555694278 /nfs/dbraw/zinc/69/42/78/555694278.db2.gz KNIBJLIWRDSTTI-UHFFFAOYSA-N 0 0 476.558 4.051 50 0 JIAARN COc1cc([C@@H]2NC(=S)N(c3ccccc3)C(C)=C2C(=O)Nc2cc(C)on2)cc(OC)c1OC ZINC000010353024 555694811 /nfs/dbraw/zinc/69/48/11/555694811.db2.gz YTPSUKHSJQYGGX-QFIPXVFZSA-N 0 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O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023983723 556111764 /nfs/dbraw/zinc/11/17/64/556111764.db2.gz HILPHIJJCIDDOS-UHFFFAOYSA-N 0 0 492.626 4.055 50 0 JIAARN CCn1c(CN[C@H](c2cccs2)c2ccc(F)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000023989367 556112730 /nfs/dbraw/zinc/11/27/30/556112730.db2.gz KPNVJWFEPHVQIQ-QHCPKHFHSA-N 0 0 472.611 4.386 50 0 JIAARN C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(Cl)c2)C[C@H](C)O1 ZINC000023991088 556114843 /nfs/dbraw/zinc/11/48/43/556114843.db2.gz UHOGSRPPULZRHB-GASCZTMLSA-N 0 0 486.421 4.232 50 0 JIAARN Cc1cc(C(=O)CSc2n[nH]c(-c3ccncc3)n2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000012805066 556114919 /nfs/dbraw/zinc/11/49/19/556114919.db2.gz KTOCHWIZXOPIHA-GOSISDBHSA-N 0 0 461.547 4.100 50 0 JIAARN CNC(=O)c1ccc(CN(C)c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)cc1 ZINC000023994743 556115031 /nfs/dbraw/zinc/11/50/31/556115031.db2.gz OTAYCOMBMPNOPG-UHFFFAOYSA-N 0 0 493.658 4.248 50 0 JIAARN COc1ccc(CN2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)c(OC)c1OC ZINC000024013877 556116330 /nfs/dbraw/zinc/11/63/30/556116330.db2.gz JQPFSWZBUTWBEV-UHFFFAOYSA-N 0 0 476.573 4.249 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1ccc(N2CCOCC2)cc1 ZINC000012844153 556117195 /nfs/dbraw/zinc/11/71/95/556117195.db2.gz DZDFORKJQFVMGP-UHFFFAOYSA-N 0 0 475.368 4.067 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000016035219 556118760 /nfs/dbraw/zinc/11/87/60/556118760.db2.gz ZFIHZNNPTQHUGB-YAOOYPAMSA-N 0 0 492.531 4.296 50 0 JIAARN CC(C)c1ccccc1OC[C@H](O)CN1C(=O)N[C@](C)(CCc2ccc(OC(F)F)cc2)C1=O ZINC000024097856 556121600 /nfs/dbraw/zinc/12/16/00/556121600.db2.gz JACAJZMCTJTVPB-IQGLISFBSA-N 0 0 476.520 4.094 50 0 JIAARN COc1ccc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3OC)c3ccccc3n2)cc1 ZINC000016044426 556124255 /nfs/dbraw/zinc/12/42/55/556124255.db2.gz SITXJUMBWOVZTJ-UHFFFAOYSA-N 0 0 491.569 4.422 50 0 JIAARN CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000024192901 556125654 /nfs/dbraw/zinc/12/56/54/556125654.db2.gz MEDFWXPVXHBGET-VWLOTQADSA-N 0 0 476.573 4.076 50 0 JIAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000024227012 556127628 /nfs/dbraw/zinc/12/76/28/556127628.db2.gz YXOAGGIFRGUFHK-UHFFFAOYSA-N 0 0 456.893 4.181 50 0 JIAARN COc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\N=C(c4ccccc4)OC3=O)cc2OC)cc1 ZINC000016185251 556128014 /nfs/dbraw/zinc/12/80/14/556128014.db2.gz DGVUPZDKJNGJEG-MOSHPQCFSA-N 0 0 499.928 4.469 50 0 JIAARN Cc1ccc(C(=O)C2CCN(C(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)CC2)c(C)c1 ZINC000024452672 556131530 /nfs/dbraw/zinc/13/15/30/556131530.db2.gz RQQDKGODJQLZAO-UHFFFAOYSA-N 0 0 470.525 4.428 50 0 JIAARN COCCn1c(Cc2ccccc2)nn(CN2CCC[C@H]2c2cc(OC)ccc2OC)c1=S ZINC000012913792 556132616 /nfs/dbraw/zinc/13/26/16/556132616.db2.gz IVZKOCORTWVTPS-QFIPXVFZSA-N 0 0 468.623 4.463 50 0 JIAARN 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556139859 /nfs/dbraw/zinc/13/98/59/556139859.db2.gz HQOMATPYSIJITC-UHFFFAOYSA-N 0 0 469.376 4.077 50 0 JIAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012921391 556139861 /nfs/dbraw/zinc/13/98/61/556139861.db2.gz ZBGWPJHRMDCPSX-UHFFFAOYSA-N 0 0 493.416 4.278 50 0 JIAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)CC2)cc1 ZINC000024609184 556140133 /nfs/dbraw/zinc/14/01/33/556140133.db2.gz HKQTYPYCURWTOR-UHFFFAOYSA-N 0 0 497.661 4.238 50 0 JIAARN O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1C[C@H](O)COc1ccc(Br)cc1 ZINC000012922169 556140825 /nfs/dbraw/zinc/14/08/25/556140825.db2.gz LDEAYMKRNFNJGJ-HNNXBMFYSA-N 0 0 469.257 4.132 50 0 JIAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000012923458 556141923 /nfs/dbraw/zinc/14/19/23/556141923.db2.gz CVIIKNOXNIEJFF-UHFFFAOYSA-N 0 0 469.876 4.470 50 0 JIAARN CCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(c2cccc(C)c2)C1=O ZINC000016570909 556143283 /nfs/dbraw/zinc/14/32/83/556143283.db2.gz 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C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC000012929331 556146688 /nfs/dbraw/zinc/14/66/88/556146688.db2.gz ODGZSJZZCSDNRO-LBPRGKRZSA-N 0 0 461.893 4.277 50 0 JIAARN CCN1C(=S)N[C@@H](c2cccc(NC(=O)Nc3ccccc3F)c2)C(C(=O)OCCOC)=C1C ZINC000016611119 556147423 /nfs/dbraw/zinc/14/74/23/556147423.db2.gz OWQCYYCNXMCQAQ-NRFANRHFSA-N 0 0 486.569 4.184 50 0 JIAARN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000024746818 556148012 /nfs/dbraw/zinc/14/80/12/556148012.db2.gz GDDWIRAIZHUPED-INIZCTEOSA-N 0 0 488.982 4.095 50 0 JIAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(-n4ccnc4)nc3)[C@H]2c2ccccc2OC)cc1 ZINC000024749874 556148789 /nfs/dbraw/zinc/14/87/89/556148789.db2.gz LGXXHVAHQPYIKO-WNCULLNHSA-N 0 0 497.555 4.408 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccoc1CSC(F)F ZINC000024751369 556149459 /nfs/dbraw/zinc/14/94/59/556149459.db2.gz HJEYVEBSEBHGCS-UHFFFAOYSA-N 0 0 460.524 4.171 50 0 JIAARN CCCCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3C(=O)Nc3ccc(Br)cc3)cc2C1=O 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/nfs/dbraw/zinc/15/43/90/556154390.db2.gz IJRLMCINQCQHTP-HNNXBMFYSA-N 0 0 458.971 4.191 50 0 JIAARN Cc1nc(-c2ccc(NC(=O)c3ccccc3SC[C@]3(C)NC(=O)NC3=O)cc2)cs1 ZINC000024775452 556154606 /nfs/dbraw/zinc/15/46/06/556154606.db2.gz FLXRVOLAHKUZBE-QFIPXVFZSA-N 0 0 452.561 4.061 50 0 JIAARN CC[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000012944924 556157004 /nfs/dbraw/zinc/15/70/04/556157004.db2.gz WLYXEFGDMXSPAQ-LJQANCHMSA-N 0 0 471.019 4.477 50 0 JIAARN CCCc1ccc(-c2csc(Cn3c(CN4CCOCC4)nc4ccccc4c3=O)n2)cc1 ZINC000012946492 556157648 /nfs/dbraw/zinc/15/76/48/556157648.db2.gz HNUVPIYKQHMIJL-UHFFFAOYSA-N 0 0 460.603 4.353 50 0 JIAARN CCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 ZINC000012947475 556157970 /nfs/dbraw/zinc/15/79/70/556157970.db2.gz XDXCDAQSOQEILC-UHFFFAOYSA-N 0 0 492.605 4.302 50 0 JIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)c3cnn(C(C)C)c3n2)s1 ZINC000012946862 556157983 /nfs/dbraw/zinc/15/79/83/556157983.db2.gz CJDZKMKRFUHZHL-UHFFFAOYSA-N 0 0 469.592 4.257 50 0 JIAARN COc1ccc(-c2nc3c4ccccc4n(C[C@H](O)COc4cccc5ccccc54)c(=O)n3n2)cc1 ZINC000012950501 556160184 /nfs/dbraw/zinc/16/01/84/556160184.db2.gz ILVUNDDAAJAYGZ-NRFANRHFSA-N 0 0 492.535 4.313 50 0 JIAARN COC(=O)c1ccc(NC(=O)Cn2c3ccc(C)cc3c3ncn(Cc4ccccc4)c(=O)c32)cc1 ZINC000016842129 556163926 /nfs/dbraw/zinc/16/39/26/556163926.db2.gz BDIUQWVVGQDOJV-UHFFFAOYSA-N 0 0 480.524 4.133 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1Br ZINC000012972805 556164374 /nfs/dbraw/zinc/16/43/74/556164374.db2.gz FLHBKIMEIPFXGP-KRWDZBQOSA-N 0 0 468.369 4.145 50 0 JIAARN C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)C1=O ZINC000012973083 556164651 /nfs/dbraw/zinc/16/46/51/556164651.db2.gz UVUXCTLXXKKSIB-CUBQBAPOSA-N 0 0 473.548 4.473 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)Cn1cccc(-c2nc(-c3ccc(C)cc3)no2)c1=O ZINC000016843477 556165613 /nfs/dbraw/zinc/16/56/13/556165613.db2.gz ISNRPOLBMNGIRD-UHFFFAOYSA-N 0 0 450.882 4.174 50 0 JIAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCC(=O)Nc1nc2ccc(F)cc2s1 ZINC000012973930 556165750 /nfs/dbraw/zinc/16/57/50/556165750.db2.gz NNPZHFMWIFFYRG-GFCCVEGCSA-N 0 0 458.540 4.084 50 0 JIAARN Cc1c2cc(F)ccc2oc1C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000012975095 556167278 /nfs/dbraw/zinc/16/72/78/556167278.db2.gz HNHWIOSDOKFAGD-UHFFFAOYSA-N 0 0 463.431 4.296 50 0 JIAARN O=C(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000012975132 556167283 /nfs/dbraw/zinc/16/72/83/556167283.db2.gz ZRFJFFQCBPQAKW-UHFFFAOYSA-N 0 0 473.325 4.220 50 0 JIAARN C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000024978877 556167369 /nfs/dbraw/zinc/16/73/69/556167369.db2.gz ZFDAOXHFWKUFHM-HXUWFJFHSA-N 0 0 466.029 4.039 50 0 JIAARN COc1ccc(-c2csc(NC(=O)CN3C(=S)N=NC3c3ccc(OC)cc3)n2)cc1 ZINC000024991867 556170969 /nfs/dbraw/zinc/17/09/69/556170969.db2.gz ABPNIGGSOSPECX-UHFFFAOYSA-N 0 0 453.549 4.013 50 0 JIAARN C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(Br)cc1 ZINC000012979754 556172737 /nfs/dbraw/zinc/17/27/37/556172737.db2.gz BPGOXCGHJIEWKM-LBPRGKRZSA-N 0 0 470.352 4.403 50 0 JIAARN NC(=O)CSc1ccccc1NC(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025035223 556172954 /nfs/dbraw/zinc/17/29/54/556172954.db2.gz WEEZANWGJYAUNT-UHFFFAOYSA-N 0 0 475.039 4.345 50 0 JIAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012979929 556173016 /nfs/dbraw/zinc/17/30/16/556173016.db2.gz VWFPEYQXOVBAOI-UHFFFAOYSA-N 0 0 493.416 4.278 50 0 JIAARN C[C@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012980816 556173867 /nfs/dbraw/zinc/17/38/67/556173867.db2.gz VZVQLDIVEYCWBP-HUUCEWRRSA-N 0 0 466.607 4.227 50 0 JIAARN C[C@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012980818 556173955 /nfs/dbraw/zinc/17/39/55/556173955.db2.gz VZVQLDIVEYCWBP-LSDHHAIUSA-N 0 0 466.607 4.227 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N[C@@H]3CCSc4ccccc43)ccc2Cl)C[C@@H](C)O1 ZINC000012981554 556174543 /nfs/dbraw/zinc/17/45/43/556174543.db2.gz BKPHMNOZQRZLKQ-SPYBWZPUSA-N 0 0 481.039 4.105 50 0 JIAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2noc(-c3ccc(Cl)cc3)n2)C1=O ZINC000025054410 556175860 /nfs/dbraw/zinc/17/58/60/556175860.db2.gz RRNCBXHNSTWNKI-LJQANCHMSA-N 0 0 461.703 4.120 50 0 JIAARN C[C@@H]1CN(Cc2csc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)n2)C[C@H](C)O1 ZINC000025059752 556177102 /nfs/dbraw/zinc/17/71/02/556177102.db2.gz XDIJIUSBGPXOAC-OKILXGFUSA-N 0 0 461.975 4.027 50 0 JIAARN Cc1cc(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)c(C)n1C(C)C ZINC000016911124 556177498 /nfs/dbraw/zinc/17/74/98/556177498.db2.gz VCNRHJSKQNOHLU-AWEZNQCLSA-N 0 0 451.445 4.235 50 0 JIAARN CN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)CC(=O)Nc1ccccc1Br ZINC000012985410 556178988 /nfs/dbraw/zinc/17/89/88/556178988.db2.gz LOBDXDNSPGQAAK-UHFFFAOYSA-N 0 0 495.349 4.360 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnnn2C2CCCC2)cc1 ZINC000012988942 556182799 /nfs/dbraw/zinc/18/27/99/556182799.db2.gz DHWQJYDCALSYSA-JOCHJYFZSA-N 0 0 462.579 4.267 50 0 JIAARN COc1ccc(C2=NN(C(=O)CSC3=NCCS3)[C@H](c3cccc(OC)c3OC)C2)cc1 ZINC000016953456 556184091 /nfs/dbraw/zinc/18/40/91/556184091.db2.gz GWHWDPHFBVSPIK-IBGZPJMESA-N 0 0 471.604 4.226 50 0 JIAARN O=C(Cc1ccc(F)cc1)N1CCN(c2nc3nccc(-c4ccc(Cl)c(Cl)c4)n3n2)CC1 ZINC000025145671 556184082 /nfs/dbraw/zinc/18/40/82/556184082.db2.gz CZXNNHXNUNPFPT-UHFFFAOYSA-N 0 0 485.350 4.129 50 0 JIAARN COc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000016953643 556184418 /nfs/dbraw/zinc/18/44/18/556184418.db2.gz OHVLWWDPFLDGPR-UHFFFAOYSA-N 0 0 466.559 4.027 50 0 JIAARN Cc1oc(C(C)(C)C)cc1C(=O)N1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn32)CC1 ZINC000025145970 556184535 /nfs/dbraw/zinc/18/45/35/556184535.db2.gz JTVBBGUJPQEGQK-UHFFFAOYSA-N 0 0 472.593 4.185 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4ccc(OC)cc4OC)ccc32)cc1 ZINC000016954448 556185591 /nfs/dbraw/zinc/18/55/91/556185591.db2.gz CBCNXYOBDQFBSY-UHFFFAOYSA-N 0 0 482.558 4.106 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4ccccc4OC)ccc32)cc1 ZINC000016954469 556185734 /nfs/dbraw/zinc/18/57/34/556185734.db2.gz JRGSZIMNGWGJJC-UHFFFAOYSA-N 0 0 452.532 4.098 50 0 JIAARN Cc1cccc(-c2ccnc3nc(N4CCN(C(=O)c5ccc(C(F)(F)F)cc5F)CC4)nn32)c1 ZINC000025148342 556187123 /nfs/dbraw/zinc/18/71/23/556187123.db2.gz XQMGYKQGMWAYCZ-UHFFFAOYSA-N 0 0 484.457 4.220 50 0 JIAARN Cc1nc2ncnn2c(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1Cc1ccccc1 ZINC000025148494 556187839 /nfs/dbraw/zinc/18/78/39/556187839.db2.gz PCRBMOANGWIMAC-UHFFFAOYSA-N 0 0 481.387 4.293 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)c2)C[C@H](C)O1 ZINC000012999003 556191548 /nfs/dbraw/zinc/19/15/48/556191548.db2.gz LBKUTXPHIQJVLI-MDOVXXIYSA-N 0 0 481.039 4.105 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)c2)C[C@@H](C)O1 ZINC000012998998 556191628 /nfs/dbraw/zinc/19/16/28/556191628.db2.gz LBKUTXPHIQJVLI-STXHMFSFSA-N 0 0 481.039 4.105 50 0 JIAARN CCOC(=O)c1cc(-c2cccc(NC(=O)[C@@H](OC(C)=O)c3ccccc3)c2)n(-c2ccccn2)n1 ZINC000025153534 556194291 /nfs/dbraw/zinc/19/42/91/556194291.db2.gz LEIRXPSVWAYKPD-VWLOTQADSA-N 0 0 484.512 4.354 50 0 JIAARN COc1cccc([C@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CCN(c3ccccn3)CC2)c1 ZINC000016993571 556197573 /nfs/dbraw/zinc/19/75/73/556197573.db2.gz IAVGQYDHJTUJEI-GDLZYMKVSA-N 0 0 496.611 4.226 50 0 JIAARN Cc1cc(O)c([C@H](c2cccnc2)N2CCN(c3ccccc3F)CC2)c(=O)n1Cc1ccccc1 ZINC000016993653 556197980 /nfs/dbraw/zinc/19/79/80/556197980.db2.gz VLIKONSZOUMIRQ-NDEPHWFRSA-N 0 0 484.575 4.356 50 0 JIAARN COc1cccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)c1OC ZINC000017011130 556200688 /nfs/dbraw/zinc/20/06/88/556200688.db2.gz VFZBIKBALKFNRJ-HXUWFJFHSA-N 0 0 463.552 4.158 50 0 JIAARN Cc1nc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)sc1-c1nccn1C(F)F ZINC000025163182 556201007 /nfs/dbraw/zinc/20/10/07/556201007.db2.gz OPRALEZJQAZZCI-UHFFFAOYSA-N 0 0 453.858 4.300 50 0 JIAARN Cc1ccn(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3)nn2)n1 ZINC000013010054 556201869 /nfs/dbraw/zinc/20/18/69/556201869.db2.gz JLAFYVITIHENBB-UHFFFAOYSA-N 0 0 485.367 4.278 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2sc(NC(=O)Nc3ccccc3)nc2C)CC1 ZINC000013010273 556202555 /nfs/dbraw/zinc/20/25/55/556202555.db2.gz YGCNWZMEUKKQGS-UHFFFAOYSA-N 0 0 451.552 4.067 50 0 JIAARN O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000013012604 556204234 /nfs/dbraw/zinc/20/42/34/556204234.db2.gz UCGCPRKMFAKQIT-UHFFFAOYSA-N 0 0 483.977 4.419 50 0 JIAARN O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)Nc1ccc2c(c1)OCCCO2 ZINC000013014676 556205908 /nfs/dbraw/zinc/20/59/08/556205908.db2.gz QWVLEYUGPLRVTI-UHFFFAOYSA-N 0 0 451.479 4.064 50 0 JIAARN Cc1ccc(N2C(=O)C[C@@H](C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)[C@H]2c2cccs2)cc1 ZINC000013014729 556205951 /nfs/dbraw/zinc/20/59/51/556205951.db2.gz PDPYAAOMDKLEJQ-DVECYGJZSA-N 0 0 472.570 4.046 50 0 JIAARN COc1ccc(C)cc1NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000017026418 556206045 /nfs/dbraw/zinc/20/60/45/556206045.db2.gz JDIUABMVJYSNSF-INIZCTEOSA-N 0 0 496.614 4.397 50 0 JIAARN CCc1ccc2c(CN3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)cc(=O)oc2c1 ZINC000025266224 556206808 /nfs/dbraw/zinc/20/68/08/556206808.db2.gz BRFLSPRULINBAI-UHFFFAOYSA-N 0 0 481.401 4.169 50 0 JIAARN COc1ccc2c(COC(=O)c3cccc(S(=O)(=O)N[C@@H](C)c4ccccc4)c3)cc(=O)oc2c1 ZINC000013016187 556208070 /nfs/dbraw/zinc/20/80/70/556208070.db2.gz VKBUDYDINIFALX-KRWDZBQOSA-N 0 0 493.537 4.198 50 0 JIAARN COc1ccc2c(C)c(CCC(=O)NCCNc3ncc(C(F)(F)F)cc3Cl)c(=O)oc2c1 ZINC000025339539 556209881 /nfs/dbraw/zinc/20/98/81/556209881.db2.gz MLACCZMFGWRBPU-UHFFFAOYSA-N 0 0 483.874 4.338 50 0 JIAARN CCCOc1ccc(OCCSCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000013019311 556210905 /nfs/dbraw/zinc/21/09/05/556210905.db2.gz NZCPDBIQGGDLGX-UHFFFAOYSA-N 0 0 469.607 4.414 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)c4cc5ccccc5oc4=O)cc32)cc1 ZINC000017050666 556211340 /nfs/dbraw/zinc/21/13/40/556211340.db2.gz WMOKWMZNAJPJDA-UHFFFAOYSA-N 0 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CCOc1cc(C(=O)N2CCN(C(=O)c3ccc(CC)cc3)CC2)ccc1OCc1ccncc1 ZINC000025470183 556217640 /nfs/dbraw/zinc/21/76/40/556217640.db2.gz JMXHQJTZKYNOIP-UHFFFAOYSA-N 0 0 473.573 4.220 50 0 JIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(CN3CCOCC3)cs2)cc1 ZINC000025572195 556221893 /nfs/dbraw/zinc/22/18/93/556221893.db2.gz FNLKTJODXYLNEG-UHFFFAOYSA-N 0 0 459.575 4.389 50 0 JIAARN COc1ccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2cccc(C)c2C)c(OC)c1 ZINC000017135757 556222913 /nfs/dbraw/zinc/22/29/13/556222913.db2.gz VCXJWGWRRDDGRI-UHFFFAOYSA-N 0 0 483.532 4.196 50 0 JIAARN Cc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C/c4cccs4)c(=O)n32)o1 ZINC000017135933 556223210 /nfs/dbraw/zinc/22/32/10/556223210.db2.gz NFAMBFNXQSPLGM-WVWKGNOCSA-N 0 0 475.595 4.145 50 0 JIAARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)cc1 ZINC000025605962 556227137 /nfs/dbraw/zinc/22/71/37/556227137.db2.gz GCKQZCGQDKDFJA-NRFANRHFSA-N 0 0 467.568 4.127 50 0 JIAARN CC(C)C(=O)N1CCC(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1 ZINC000025755024 556232197 /nfs/dbraw/zinc/23/21/97/556232197.db2.gz ZLPABOPXMLTHNX-UHFFFAOYSA-N 0 0 457.368 4.057 50 0 JIAARN CCCCc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4c(C)n[nH]c4C)CC3)sc2c1 ZINC000013037831 556233091 /nfs/dbraw/zinc/23/30/91/556233091.db2.gz DJVIXYBTDPTJCM-UHFFFAOYSA-N 0 0 475.640 4.018 50 0 JIAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000013038063 556234633 /nfs/dbraw/zinc/23/46/33/556234633.db2.gz YSBJLMVCSYJMGD-UHFFFAOYSA-N 0 0 495.601 4.457 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccccc1C(C)C ZINC000013038271 556235748 /nfs/dbraw/zinc/23/57/48/556235748.db2.gz MTKMPWRFEWSXKD-UHFFFAOYSA-N 0 0 460.596 4.401 50 0 JIAARN Cc1nc2scc(-c3cccs3)c2c(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 ZINC000013038361 556236030 /nfs/dbraw/zinc/23/60/30/556236030.db2.gz CJGVXHBSHWSZLF-NSHDSACASA-N 0 0 490.657 4.495 50 0 JIAARN COc1ccc(NC(=O)[C@@H](OC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)c2ccccc2)cc1 ZINC000025785038 556236376 /nfs/dbraw/zinc/23/63/76/556236376.db2.gz RDZBSTYOUYYOQL-XXBNENTESA-N 0 0 462.502 4.064 50 0 JIAARN CC1=C2C(=NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)N(c2ccc(C)cc2)N1 ZINC000013038488 556236759 /nfs/dbraw/zinc/23/67/59/556236759.db2.gz OXMKRSUKSZAAHI-RPBOFIJWSA-N 0 0 450.542 4.423 50 0 JIAARN O=C(Cc1ccc2c(c1)OCCO2)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O ZINC000017193711 556237707 /nfs/dbraw/zinc/23/77/07/556237707.db2.gz NDFGINSNYAJUKR-PDGQHHTCSA-N 0 0 493.368 4.160 50 0 JIAARN Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)cc2)cc1 ZINC000025921235 556239261 /nfs/dbraw/zinc/23/92/61/556239261.db2.gz RIGPTSSVVJWKMY-UHFFFAOYSA-N 0 0 486.977 4.395 50 0 JIAARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccccc4OC)nn32)c1 ZINC000017243668 556244834 /nfs/dbraw/zinc/24/48/34/556244834.db2.gz BJYJNDRZITWXMG-DEOSSOPVSA-N 0 0 498.543 4.294 50 0 JIAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc(-c4cccnc4)nn32)cc1 ZINC000017243809 556244958 /nfs/dbraw/zinc/24/49/58/556244958.db2.gz OJHRAZQGUVJVJL-QHCPKHFHSA-N 0 0 468.517 4.285 50 0 JIAARN COc1ccccc1-c1nc2n(n1)[C@@H](c1cccc(OC)c1OC)C(C(=O)Nc1cccnc1)=C(C)N2 ZINC000017243728 556244981 /nfs/dbraw/zinc/24/49/81/556244981.db2.gz DMUKBWXYYOAPFR-QHCPKHFHSA-N 0 0 498.543 4.294 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000013040871 556245081 /nfs/dbraw/zinc/24/50/81/556245081.db2.gz KJFBYUJCGFNDEN-SFHVURJKSA-N 0 0 466.559 4.164 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3ccccc3Cl)CC2)nc1 ZINC000013042102 556248351 /nfs/dbraw/zinc/24/83/51/556248351.db2.gz FJCGFFWCJMXSGX-UHFFFAOYSA-N 0 0 456.999 4.277 50 0 JIAARN Cc1ccc([C@](O)(CCNC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)C(F)(F)F)o1 ZINC000026288731 556251306 /nfs/dbraw/zinc/25/13/06/556251306.db2.gz WKQNXIGJWMDOPL-SPLOXXLWSA-N 0 0 453.461 4.137 50 0 JIAARN COC[C@H](C)n1c(C)cc(C(=O)COC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1C ZINC000026418236 556253434 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0 454.264 4.294 50 0 JIAARN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000026530703 556255484 /nfs/dbraw/zinc/25/54/84/556255484.db2.gz RRZBXLRCGGXUMK-UHFFFAOYSA-N 0 0 474.527 4.363 50 0 JIAARN CCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCCC4)c3)ccc12 ZINC000013060935 556256328 /nfs/dbraw/zinc/25/63/28/556256328.db2.gz RTMVRYWWMDIIIO-UHFFFAOYSA-N 0 0 498.601 4.246 50 0 JIAARN COc1ccccc1C(=O)N1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000026618721 556258051 /nfs/dbraw/zinc/25/80/51/556258051.db2.gz RTOCCHKBUUMPDY-OAHLLOKOSA-N 0 0 460.456 4.283 50 0 JIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000026768003 556260178 /nfs/dbraw/zinc/26/01/78/556260178.db2.gz VRSDXNWFBOPZBC-CQSZACIVSA-N 0 0 453.607 4.073 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000017369810 556260471 /nfs/dbraw/zinc/26/04/71/556260471.db2.gz JRKYRBXOJVXTRB-IBGZPJMESA-N 0 0 452.960 4.310 50 0 JIAARN COc1cc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000026771934 556261210 /nfs/dbraw/zinc/26/12/10/556261210.db2.gz HVOLBQUGFVRMJR-KZOAPLLOSA-N 0 0 495.572 4.349 50 0 biogenic JIAARN COc1ccccc1NC(=O)c1ccc(NCc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000026798000 556263651 /nfs/dbraw/zinc/26/36/51/556263651.db2.gz PNSQGCPWIVMPOR-UHFFFAOYSA-N 0 0 479.334 4.330 50 0 JIAARN CS(=O)(=O)c1ccc(C(=O)Nc2c(Cl)cc(NC(=O)c3ccncc3)cc2Cl)cc1 ZINC000026884557 556265167 /nfs/dbraw/zinc/26/51/67/556265167.db2.gz CAJNTYIZMRIPOX-UHFFFAOYSA-N 0 0 464.330 4.297 50 0 JIAARN O=C(CCCSc1nc2ccccc2s1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000013069102 556265619 /nfs/dbraw/zinc/26/56/19/556265619.db2.gz JFYJYNHEJDPZSG-LDADJPATSA-N 0 0 487.672 4.314 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc1)CCC2 ZINC000017820785 556267328 /nfs/dbraw/zinc/26/73/28/556267328.db2.gz CZJJCUQEBXYEGZ-IYBDPMFKSA-N 0 0 490.647 4.332 50 0 JIAARN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000017836149 556267994 /nfs/dbraw/zinc/26/79/94/556267994.db2.gz DKVYRRTUBAJEII-VSKRKVRLSA-N 0 0 450.878 4.105 50 0 JIAARN Cc1ccc(OCC(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000027017389 556269398 /nfs/dbraw/zinc/26/93/98/556269398.db2.gz FIGXGKNPBNLFSQ-JOCHJYFZSA-N 0 0 463.921 4.410 50 0 JIAARN COc1ccc(CN(C)Cn2c3cc(S(=O)(=O)N4CCCCC4)ccc3oc2=S)cc1 ZINC000013072639 556271552 /nfs/dbraw/zinc/27/15/52/556271552.db2.gz WNYMOTWIVPVMEL-UHFFFAOYSA-N 0 0 461.609 4.236 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc1 ZINC000013072722 556271908 /nfs/dbraw/zinc/27/19/08/556271908.db2.gz PATUEVWLMNNALR-UHFFFAOYSA-N 0 0 467.566 4.206 50 0 JIAARN CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000018014690 556276577 /nfs/dbraw/zinc/27/65/77/556276577.db2.gz DNMCCTXZZVBRJY-APPDUMDISA-N 0 0 465.349 4.452 50 0 JIAARN COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000018031694 556277956 /nfs/dbraw/zinc/27/79/56/556277956.db2.gz AKSBUIYBTCXUBN-ZRBLBEILSA-N 0 0 476.916 4.173 50 0 JIAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c(=O)n(-c2ccccc2)n1C ZINC000018026172 556277981 /nfs/dbraw/zinc/27/79/81/556277981.db2.gz KZLUFXHLLJXGJS-KRWDZBQOSA-N 0 0 494.548 4.015 50 0 JIAARN CC1=CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@H]4CC(=O)N(c5ccc(Cl)cc5)C4)c3)C(=O)[C@H]2C1 ZINC000018037682 556278290 /nfs/dbraw/zinc/27/82/90/556278290.db2.gz DXSZBUJOEPTEGZ-SSKFGXFMSA-N 0 0 478.932 4.144 50 0 JIAARN COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000013096325 556290321 /nfs/dbraw/zinc/29/03/21/556290321.db2.gz QFUJZXXIXZMIQA-UHFFFAOYSA-N 0 0 469.497 4.217 50 0 JIAARN COc1ccc(OCCN2CCN(C(=O)c3sc(COc4ccc(C)cc4)nc3C)CC2)cc1 ZINC000018121402 556290735 /nfs/dbraw/zinc/29/07/35/556290735.db2.gz YWPBHRXMSPJFCH-UHFFFAOYSA-N 0 0 481.618 4.184 50 0 JIAARN CC[C@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl)c1ccccc1 ZINC000013096953 556292375 /nfs/dbraw/zinc/29/23/75/556292375.db2.gz AVAUDLFNTUEVSK-SFHVURJKSA-N 0 0 466.987 4.046 50 0 JIAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C ZINC000013097250 556293299 /nfs/dbraw/zinc/29/32/99/556293299.db2.gz FZKGCPWUVXQBIX-UHFFFAOYSA-N 0 0 483.565 4.208 50 0 JIAARN COc1cc(C(=O)OCCOc2ccccc2C)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000013097372 556293768 /nfs/dbraw/zinc/29/37/68/556293768.db2.gz GCMRUOMCKSNVAW-UHFFFAOYSA-N 0 0 453.466 4.396 50 0 JIAARN CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013097631 556294431 /nfs/dbraw/zinc/29/44/31/556294431.db2.gz VUJFQSZCQCOAAT-UHFFFAOYSA-N 0 0 494.548 4.038 50 0 JIAARN COc1ccccc1N1CCN(C(=O)CN2C(=O)c3ccccc3[C@H]2c2c(C)[nH]c3ccccc32)CC1 ZINC000027546874 556294407 /nfs/dbraw/zinc/29/44/07/556294407.db2.gz AJYNIKSRCBZAML-LJAQVGFWSA-N 0 0 494.595 4.379 50 0 JIAARN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(I)cc4)c3)C(=O)[C@H]2C1 ZINC000018155448 556295071 /nfs/dbraw/zinc/29/50/71/556295071.db2.gz YDJPQFWEOMCSRK-OALUTQOASA-N 0 0 486.309 4.389 50 0 JIAARN O=C(CN1C(=O)CSc2ccccc21)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000018157561 556295943 /nfs/dbraw/zinc/29/59/43/556295943.db2.gz AOTSOCJKNWPSQB-UHFFFAOYSA-N 0 0 454.555 4.294 50 0 JIAARN CCc1ccc(O)c(-c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)n[nH]2)c1 ZINC000027663705 556303050 /nfs/dbraw/zinc/30/30/50/556303050.db2.gz LWWXAFYCZCFLLF-OAHLLOKOSA-N 0 0 480.590 4.056 50 0 JIAARN C[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000027745289 556305097 /nfs/dbraw/zinc/30/50/97/556305097.db2.gz YCOGKDYXQNMTFL-APWZRJJASA-N 0 0 475.513 4.208 50 0 JIAARN Cc1cc(OCC(=O)N(Cc2c(F)cccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000027756239 556306288 /nfs/dbraw/zinc/30/62/88/556306288.db2.gz YBOJTDHOPNWZMC-OAHLLOKOSA-N 0 0 474.381 4.344 50 0 JIAARN CC(C)c1noc([C@@H](C)N2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)n1 ZINC000027769437 556306710 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461.396 4.111 50 0 JIAARN COc1cccc(-c2cn(C)c3c2ncn(CC(=O)Nc2cccc(C(F)(F)F)c2)c3=O)c1 ZINC000067235437 569681260 /nfs/dbraw/zinc/68/12/60/569681260.db2.gz VSOBMJMATSNLPU-UHFFFAOYSA-N 0 0 456.424 4.068 50 0 JIAARN CCOc1ccc2sc(NC(=O)CSc3nc4cc(C)[nH]c4c(=O)n3C(C)C)nc2c1 ZINC000067236178 569681373 /nfs/dbraw/zinc/68/13/73/569681373.db2.gz XVOGVMUSNGXXKQ-UHFFFAOYSA-N 0 0 457.581 4.353 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccc(F)cc1 ZINC000067237388 569681569 /nfs/dbraw/zinc/68/15/69/569681569.db2.gz BWDYXFNGBGYRFB-UHFFFAOYSA-N 0 0 480.521 4.069 50 0 JIAARN CC(=O)c1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(F)cc2)c1 ZINC000067237453 569681611 /nfs/dbraw/zinc/68/16/11/569681611.db2.gz GKBXRHLGYYXNMG-UHFFFAOYSA-N 0 0 450.495 4.095 50 0 JIAARN CCOc1cc(CNC(=O)CCn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)ccc1OC ZINC000067261054 569682795 /nfs/dbraw/zinc/68/27/95/569682795.db2.gz UDGNIZFBCSJQKC-UHFFFAOYSA-N 0 0 488.588 4.400 50 0 JIAARN Cc1ccc([C@@H]2OCC(C)(C)n3c(-c4ccc(Br)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)o1 ZINC000035373249 569683656 /nfs/dbraw/zinc/68/36/56/569683656.db2.gz SRHINGCLJZELSN-NRFANRHFSA-N 0 0 498.377 4.224 50 0 JIAARN COc1ccc(-c2cc3n(n2)CCC(=O)N3Cc2ccc(C(=O)NCCc3ccco3)cc2)cc1 ZINC000035373848 569683793 /nfs/dbraw/zinc/68/37/93/569683793.db2.gz IIJPZEXQEKKORZ-UHFFFAOYSA-N 0 0 470.529 4.061 50 0 JIAARN CCOC(=O)C1=C(CN2CCN(c3cc(C)ccc3C)CC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286997 569684322 /nfs/dbraw/zinc/68/43/22/569684322.db2.gz AXXKDZUXZYAJIG-RUZDIDTESA-N 0 0 494.661 4.019 50 0 JIAARN CCOC(=O)C1=C(CN2CCN(c3ccc(C)cc3C)CC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286991 569684384 /nfs/dbraw/zinc/68/43/84/569684384.db2.gz RMHWPUAKIJPXRH-RUZDIDTESA-N 0 0 494.661 4.019 50 0 JIAARN O=C(Cn1cc(-c2nc(-c3ccc(Br)cc3)no2)ccc1=O)Nc1ccc(F)cc1 ZINC000067289242 569684968 /nfs/dbraw/zinc/68/49/68/569684968.db2.gz PZOHQBWNTDUUSQ-UHFFFAOYSA-N 0 0 469.270 4.106 50 0 JIAARN CCOc1ccc(-c2cc3c(SCC(=O)N4CCN(c5ccccc5F)CC4)nccn3n2)cc1 ZINC000067290490 569685170 /nfs/dbraw/zinc/68/51/70/569685170.db2.gz USQIXSCGHVTIRE-UHFFFAOYSA-N 0 0 491.592 4.375 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1F ZINC000067291199 569685302 /nfs/dbraw/zinc/68/53/02/569685302.db2.gz WLHGSHBNMFGGFY-UHFFFAOYSA-N 0 0 493.516 4.052 50 0 JIAARN CCOc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CCc3ccccc3)c2=O)cc1 ZINC000067291936 569685803 /nfs/dbraw/zinc/68/58/03/569685803.db2.gz LSDSHGSFPUYPMK-UHFFFAOYSA-N 0 0 483.524 4.190 50 0 JIAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c1CCO ZINC000067300727 569686504 /nfs/dbraw/zinc/68/65/04/569686504.db2.gz HVVIMDFTZJBFGX-UHFFFAOYSA-N 0 0 466.752 4.352 50 0 JIAARN O=C(Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21)NCc1cccc(Cl)c1 ZINC000067318300 569686989 /nfs/dbraw/zinc/68/69/89/569686989.db2.gz BVVKAJIVCPSVRH-UHFFFAOYSA-N 0 0 471.904 4.083 50 0 JIAARN Cc1cccc(C)c1NC(=O)Cn1c(=O)cc(-c2nc(-c3cccnc3)no2)c2ccccc21 ZINC000067318349 569687006 /nfs/dbraw/zinc/68/70/06/569687006.db2.gz UJHOSOJJOWMUHZ-UHFFFAOYSA-N 0 0 451.486 4.369 50 0 JIAARN O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)NCCC1=CCCCC1 ZINC000067318610 569687086 /nfs/dbraw/zinc/68/70/86/569687086.db2.gz SHJJNNUVFZOFNT-UHFFFAOYSA-N 0 0 455.518 4.120 50 0 JIAARN Cc1cc2nc(SCC(=O)N[C@@H](C)c3ccc(C)cc3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067319805 569687186 /nfs/dbraw/zinc/68/71/86/569687186.db2.gz IBQWJUPQGLIQSY-INIZCTEOSA-N 0 0 450.539 4.439 50 0 JIAARN CCc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)cc3)c2=O)cc1 ZINC000035396776 569687612 /nfs/dbraw/zinc/68/76/12/569687612.db2.gz OUDQXIGYBAHRIN-UHFFFAOYSA-N 0 0 458.967 4.152 50 0 JIAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 ZINC000067612863 569688603 /nfs/dbraw/zinc/68/86/03/569688603.db2.gz LUAVFSZGBXHDQF-UHFFFAOYSA-N 0 0 450.546 4.096 50 0 JIAARN Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc(N5CCOCC5)cc4)C3)nn2)c1 ZINC000035398256 569688869 /nfs/dbraw/zinc/68/88/69/569688869.db2.gz AHMTVNSIQLIYPH-QFIPXVFZSA-N 0 0 457.578 4.144 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(F)c(C)c2)cc1 ZINC000067673709 569689187 /nfs/dbraw/zinc/68/91/87/569689187.db2.gz OUEFBGDFASDWTP-UHFFFAOYSA-N 0 0 483.546 4.412 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2cccs2)cc1OC ZINC000067689534 569689525 /nfs/dbraw/zinc/68/95/25/569689525.db2.gz FGDPVHVFRYWZPF-UHFFFAOYSA-N 0 0 481.599 4.449 50 0 JIAARN COc1ccc2[nH]cc(CCNC(=O)c3ccc4c(c3)nc(C)c(=O)n4Cc3ccccc3)c2c1 ZINC000035399587 569689853 /nfs/dbraw/zinc/68/98/53/569689853.db2.gz UCDUYBHCYUHUEC-UHFFFAOYSA-N 0 0 466.541 4.216 50 0 biogenic JIAARN COc1ccc(Cn2cnc3c4ccccc4n(CC(=O)Nc4ccccc4C)c3c2=O)cc1 ZINC000035399709 569690037 /nfs/dbraw/zinc/69/00/37/569690037.db2.gz SRTJNQAFINSBRN-UHFFFAOYSA-N 0 0 452.514 4.355 50 0 JIAARN O=C(Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3Cl)c(=O)c21)NC1CCCC1 ZINC000035399917 569690317 /nfs/dbraw/zinc/69/03/17/569690317.db2.gz AEGBWVCZYFKMLV-UHFFFAOYSA-N 0 0 452.917 4.251 50 0 JIAARN COc1ccccc1Cn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2ccsc2c1=O ZINC000067689818 569690393 /nfs/dbraw/zinc/69/03/93/569690393.db2.gz LFDQGMBOAUJVOZ-UHFFFAOYSA-N 0 0 497.598 4.263 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)cc1 ZINC000067689920 569690568 /nfs/dbraw/zinc/69/05/68/569690568.db2.gz MWQIUVBGWRMVSW-UHFFFAOYSA-N 0 0 482.562 4.335 50 0 JIAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccc(F)cc2)c1=O)Nc1ccccc1C(F)(F)F ZINC000067694741 569690656 /nfs/dbraw/zinc/69/06/56/569690656.db2.gz HUHDSCGBUVINQZ-UHFFFAOYSA-N 0 0 477.439 4.070 50 0 JIAARN COc1cccc(C(=O)C[C@]2(O)c3ccccc3N(CCOc3ccc(Cl)cc3)C2=O)c1 ZINC000068713262 569691823 /nfs/dbraw/zinc/69/18/23/569691823.db2.gz QHYYGWWOMNQQJI-VWLOTQADSA-N 0 0 451.906 4.235 50 0 JIAARN COc1ccc(Br)cc1CNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)s1 ZINC000035405664 569691874 /nfs/dbraw/zinc/69/18/74/569691874.db2.gz MKRLAZNYNLQYPA-UHFFFAOYSA-N 0 0 487.441 4.014 50 0 JIAARN Cc1cc(=O)c(C(=O)NCc2ccc(OCc3ccccn3)cc2)nn1-c1cccc(C(F)(F)F)c1 ZINC000068734066 569691983 /nfs/dbraw/zinc/69/19/83/569691983.db2.gz KOLUREHQSDKLJQ-UHFFFAOYSA-N 0 0 494.473 4.464 50 0 JIAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000035414342 569692102 /nfs/dbraw/zinc/69/21/02/569692102.db2.gz XKWGCBGGCIYDIB-QHCPKHFHSA-N 0 0 482.540 4.162 50 0 JIAARN CCOc1ccccc1NC(=O)Cn1nc2c(Oc3ccc(CC)cc3)nc3ccccc3n2c1=O ZINC000035424892 569693314 /nfs/dbraw/zinc/69/33/14/569693314.db2.gz BEXXHFUAUDQBLK-UHFFFAOYSA-N 0 0 483.528 4.436 50 0 JIAARN CCc1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)Nc4ccc(F)cc4F)nc23)cc1 ZINC000035424943 569693335 /nfs/dbraw/zinc/69/33/35/569693335.db2.gz LEDSXKLLPMBZFG-UHFFFAOYSA-N 0 0 475.455 4.316 50 0 JIAARN CCOC(=O)C1=C(CSc2nnc(Nc3ccccc3)s2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000069947994 569694132 /nfs/dbraw/zinc/69/41/32/569694132.db2.gz RALOFPNBQCURGX-KRWDZBQOSA-N 0 0 471.564 4.147 50 0 JIAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC000069948229 569694162 /nfs/dbraw/zinc/69/41/62/569694162.db2.gz WWQYDOMNFBSGDN-GOSISDBHSA-N 0 0 470.476 4.492 50 0 JIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)Cc2c(C)nc(-c3ccccn3)[nH]c2=O)s1 ZINC000069968409 569694337 /nfs/dbraw/zinc/69/43/37/569694337.db2.gz FAOOLQGFBMEEEM-UHFFFAOYSA-N 0 0 458.587 4.324 50 0 JIAARN O=S(=O)(c1ccc(Br)s1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000070635517 569695487 /nfs/dbraw/zinc/69/54/87/569695487.db2.gz BTXHZRWYNDNJMI-GFCCVEGCSA-N 0 0 456.305 4.292 50 0 JIAARN O=C([O-])[C@H](CC(=O)Nc1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000071285477 569696272 /nfs/dbraw/zinc/69/62/72/569696272.db2.gz XHBPPGHGTQJTAG-XMMPIXPASA-N 0 0 457.574 4.123 50 0 JIAARN COc1ccc(-c2noc(-c3oc4ccc(S(=O)(=O)N5CCSCC5)cc4c3C)n2)cc1 ZINC000071761916 569697318 /nfs/dbraw/zinc/69/73/18/569697318.db2.gz WKDYQPKKKPEACI-UHFFFAOYSA-N 0 0 471.560 4.204 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc2)c1C ZINC000035510469 569698199 /nfs/dbraw/zinc/69/81/99/569698199.db2.gz BFAMMMVJBGEIDQ-UHFFFAOYSA-N 0 0 474.554 4.347 50 0 JIAARN COc1cc(-c2nc3cnc(Br)cn3c2Nc2ccc3c(c2)OCO3)ccc1O ZINC000035511597 569698287 /nfs/dbraw/zinc/69/82/87/569698287.db2.gz HMMRJLZNZOLRID-UHFFFAOYSA-N 0 0 455.268 4.345 50 0 JIAARN CC(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000035527813 569699431 /nfs/dbraw/zinc/69/94/31/569699431.db2.gz BFIGCEAKSKZWGZ-HXUWFJFHSA-N 0 0 454.552 4.247 50 0 JIAARN Cn1c2ccccc2nc1[C@H](NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccc1 ZINC000072038731 569699477 /nfs/dbraw/zinc/69/94/77/569699477.db2.gz QSTVZBHSRQFXEX-WNCULLNHSA-N 0 0 466.585 4.260 50 0 JIAARN COc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000035530138 569700306 /nfs/dbraw/zinc/70/03/06/569700306.db2.gz HUVNZBRZLAIHNI-UHFFFAOYSA-N 0 0 460.372 4.408 50 0 JIAARN COc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC000035530124 569700333 /nfs/dbraw/zinc/70/03/33/569700333.db2.gz RELWHCMJRKSTOE-UHFFFAOYSA-N 0 0 460.372 4.408 50 0 JIAARN CCc1cccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3CCC(C)C)c1 ZINC000035531659 569700510 /nfs/dbraw/zinc/70/05/10/569700510.db2.gz FHKGHOSAWRWGRQ-UHFFFAOYSA-N 0 0 455.609 4.445 50 0 JIAARN CCCCn1c2nnc(SCC(=O)Nc3ccc(Cl)cc3F)n2c2ccsc2c1=O ZINC000035531961 569700612 /nfs/dbraw/zinc/70/06/12/569700612.db2.gz KJFXDGZHOLNJSR-UHFFFAOYSA-N 0 0 465.963 4.429 50 0 JIAARN Cc1ccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3Cc2ccccc2)cc1F ZINC000035532120 569700679 /nfs/dbraw/zinc/70/06/79/569700679.db2.gz JJQMSFHCEZQJOZ-UHFFFAOYSA-N 0 0 479.562 4.332 50 0 JIAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3cc(OC)ccc3OC)c2s1 ZINC000035533984 569701361 /nfs/dbraw/zinc/70/13/61/569701361.db2.gz QABCFVRTUOJFMA-UHFFFAOYSA-N 0 0 461.613 4.461 50 0 JIAARN COc1cccc(CNC(=O)CSc2ncnc3nc(N(C)Cc4ccccc4)sc32)c1OC ZINC000035534143 569701416 /nfs/dbraw/zinc/70/14/16/569701416.db2.gz UQFSMVUMLUMBFG-UHFFFAOYSA-N 0 0 495.630 4.148 50 0 JIAARN O=C(c1cc(Cl)ccc1Cl)N1CCC[C@@H]1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000072276908 569701596 /nfs/dbraw/zinc/70/15/96/569701596.db2.gz NWWYOSHZPPLBMT-OAQYLSRUSA-N 0 0 480.436 4.239 50 0 JIAARN COc1ccc2c(c1)n(CC(=O)Nc1cccc(Cl)c1C)cc(C(=O)c1ccncc1)c2=O ZINC000035535254 569701729 /nfs/dbraw/zinc/70/17/29/569701729.db2.gz LZRQHVIHQOJUSM-UHFFFAOYSA-N 0 0 461.905 4.237 50 0 JIAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(C)cc1Cl)cc(C(=O)c1ccncc1)c2=O ZINC000035535216 569701791 /nfs/dbraw/zinc/70/17/91/569701791.db2.gz PFQUJTHXIXZUGV-UHFFFAOYSA-N 0 0 491.931 4.245 50 0 JIAARN Cc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)N[C@H](C)CCc3ccccc3)c2cc1F ZINC000035535409 569701928 /nfs/dbraw/zinc/70/19/28/569701928.db2.gz PRGFQAHLVBEFPJ-LJQANCHMSA-N 0 0 471.532 4.213 50 0 JIAARN COc1cc2c(cc1Cl)n(CC(=O)Nc1ccccc1C)cc(C(=O)c1ccncc1)c2=O ZINC000035535363 569701943 /nfs/dbraw/zinc/70/19/43/569701943.db2.gz HLJXUMVWCBYGSI-UHFFFAOYSA-N 0 0 461.905 4.237 50 0 JIAARN COc1ccc(C2(CNC(=O)Cn3ccc4cc(Br)ccc43)CCOCC2)cc1 ZINC000072324973 569702219 /nfs/dbraw/zinc/70/22/19/569702219.db2.gz ISWSBJPYWREWMC-UHFFFAOYSA-N 0 0 457.368 4.277 50 0 biogenic JIAARN COc1ccc(C2(CNC(=O)Cn3ccc4ccc(Br)cc43)CCOCC2)cc1 ZINC000072325032 569702233 /nfs/dbraw/zinc/70/22/33/569702233.db2.gz VISSEGFLXWOFPM-UHFFFAOYSA-N 0 0 457.368 4.277 50 0 biogenic JIAARN O=C(Cc1ccccc1Br)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000035552891 569702350 /nfs/dbraw/zinc/70/23/50/569702350.db2.gz ALFZYXJGZKNGND-UHFFFAOYSA-N 0 0 467.367 4.268 50 0 JIAARN Cc1nc(-c2ccc(N3CCN(C(=O)c4ccc(NC(=O)c5ccccc5)cc4)CC3)cc2)no1 ZINC000035552556 569702428 /nfs/dbraw/zinc/70/24/28/569702428.db2.gz ZPMLWWBFTXBTLJ-UHFFFAOYSA-N 0 0 467.529 4.260 50 0 JIAARN O=C(c1cnc2ccc(F)cc2c1N1CCN(c2ccc(F)cc2)CC1)N1CCSCC1 ZINC000072328421 569702442 /nfs/dbraw/zinc/70/24/42/569702442.db2.gz ISAQUVOSOKFERU-UHFFFAOYSA-N 0 0 454.546 4.029 50 0 JIAARN O=C(c1cnc2ccc(F)cc2c1N1CCN(c2ccccc2F)CC1)N1CCSCC1 ZINC000072328420 569702482 /nfs/dbraw/zinc/70/24/82/569702482.db2.gz WGAXLUVBLGLXKV-UHFFFAOYSA-N 0 0 454.546 4.029 50 0 JIAARN O=c1cc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)nc2ccccn12 ZINC000072328627 569702565 /nfs/dbraw/zinc/70/25/65/569702565.db2.gz ZNLNKQMSAKCXOE-UHFFFAOYSA-N 0 0 485.906 4.248 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(C)cc4C)C3)c(C)s2)no1 ZINC000035555663 569703058 /nfs/dbraw/zinc/70/30/58/569703058.db2.gz NJXORTFQOIMXKK-QGZVFWFLSA-N 0 0 488.635 4.325 50 0 JIAARN COc1cccc(NC2=NC(=O)SC2=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)c1 ZINC000072400855 569703793 /nfs/dbraw/zinc/70/37/93/569703793.db2.gz WDZMYSGYHCBDIK-UNOMPAQXSA-N 0 0 455.517 4.321 50 0 JIAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCc2ccccc2)cc1 ZINC000035559517 569703849 /nfs/dbraw/zinc/70/38/49/569703849.db2.gz NVWTUYXEBQVQPL-RUZDIDTESA-N 0 0 491.613 4.030 50 0 JIAARN O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1)NC1CCCC1 ZINC000035559640 569703900 /nfs/dbraw/zinc/70/39/00/569703900.db2.gz CLYANLQJKDFEKJ-NRFANRHFSA-N 0 0 477.424 4.186 50 0 JIAARN CCOc1ccccc1CNC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1Cc1ccccc1 ZINC000035561412 569704417 /nfs/dbraw/zinc/70/44/17/569704417.db2.gz OKWCFPXIIFOMSE-UHFFFAOYSA-N 0 0 491.613 4.269 50 0 JIAARN CC1CCN(c2ccc(-c3noc(C(=O)N4CCN(C(=O)/C=C/c5cccs5)CC4)n3)cc2)CC1 ZINC000035562138 569704685 /nfs/dbraw/zinc/70/46/85/569704685.db2.gz NOJVFDXMMMKCPK-CMDGGOBGSA-N 0 0 491.617 4.032 50 0 JIAARN CCOc1ccc(C(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1OCC ZINC000035562228 569704750 /nfs/dbraw/zinc/70/47/50/569704750.db2.gz PRBZYJGIJBQEQC-UHFFFAOYSA-N 0 0 455.942 4.217 50 0 JIAARN COc1cc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccccc4)nn32)cc(OC)c1OC ZINC000079109790 569706871 /nfs/dbraw/zinc/70/68/71/569706871.db2.gz QYDZFXOQHFZNDY-HSZRJFAPSA-N 0 0 498.543 4.294 50 0 JIAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@H]2c2cccc(C)c2)cc1 ZINC000079112341 569706950 /nfs/dbraw/zinc/70/69/50/569706950.db2.gz HJNFJPJHNFIWMJ-DEOSSOPVSA-N 0 0 483.615 4.215 50 0 JIAARN CCCCN1C(=O)N[C@H](c2cccc(NC(=O)COCc3ccccc3)c2)C(C(=O)OC)=C1C ZINC000035711301 569707904 /nfs/dbraw/zinc/70/79/04/569707904.db2.gz OMFNCKZEKSIPMQ-XMMPIXPASA-N 0 0 465.550 4.155 50 0 JIAARN Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C1=C([n+]2ccc(C)cc2)C(=O)N(c2ccc(F)cc2)C1=O ZINC000035712763 569708101 /nfs/dbraw/zinc/70/81/01/569708101.db2.gz ZNFPZLKLAPXEOF-UHFFFAOYSA-O 0 0 489.914 4.216 50 0 JIAARN O=C(Nc1nnc(-c2ccccc2)s1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000035725389 569708763 /nfs/dbraw/zinc/70/87/63/569708763.db2.gz NLEJQSBKUJEXEA-FQEVSTJZSA-N 0 0 464.572 4.150 50 0 JIAARN CCOC(=O)C1CCN(C(=O)CCCC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C)c2)CC1 ZINC000035730372 569709279 /nfs/dbraw/zinc/70/92/79/569709279.db2.gz ALESRGPZZFOVGC-UHFFFAOYSA-N 0 0 482.625 4.389 50 0 JIAARN CCOC(=O)c1sc2nc(C)nc(N3CCC(C(=O)NCCc4ccccc4F)CC3)c2c1C ZINC000084795588 569709716 /nfs/dbraw/zinc/70/97/16/569709716.db2.gz HEIKMBUWRQRXDT-UHFFFAOYSA-N 0 0 484.597 4.199 50 0 JIAARN COc1ccc(CCN(Cc2ccco2)C(=O)CN(CC(C)C)C(=O)C2CCC2)cc1OC ZINC000035764724 569709773 /nfs/dbraw/zinc/70/97/73/569709773.db2.gz LPTNFWRDEFPWFN-UHFFFAOYSA-N 0 0 456.583 4.153 50 0 JIAARN CCNC(=O)[C@]1(OCc2ccc(F)cc2)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2ccc(F)cc2F)C1 ZINC000085397553 569710245 /nfs/dbraw/zinc/71/02/45/569710245.db2.gz NIBGWSIQVWYEFR-KWNHSTDBSA-N 0 0 493.522 4.395 50 0 JIAARN COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)c1ccccc1F ZINC000035770249 569710658 /nfs/dbraw/zinc/71/06/58/569710658.db2.gz ROHAJRLJLFCYHV-UHFFFAOYSA-N 0 0 491.512 4.030 50 0 JIAARN COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)ccn2n1 ZINC000085642976 569711817 /nfs/dbraw/zinc/71/18/17/569711817.db2.gz TZSOXPXDPIQZHK-UHFFFAOYSA-N 0 0 467.407 4.289 50 0 JIAARN Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C ZINC000085643580 569711890 /nfs/dbraw/zinc/71/18/90/569711890.db2.gz CAARNQDLQLNAOU-UHFFFAOYSA-N 0 0 455.605 4.128 50 0 JIAARN Cc1cc(-c2cc(S(=O)(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c(C)s2)on1 ZINC000085651097 569712975 /nfs/dbraw/zinc/71/29/75/569712975.db2.gz KPZGORMDFYZKHH-UHFFFAOYSA-N 0 0 452.001 4.493 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)n(-c4c(C)noc4C)n3)ccc2C)cc1 ZINC000085652003 569713696 /nfs/dbraw/zinc/71/36/96/569713696.db2.gz QHFTUOBGHGXMOQ-UHFFFAOYSA-N 0 0 480.546 4.012 50 0 JIAARN Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3F)c2)ccc1=O ZINC000085652060 569713855 /nfs/dbraw/zinc/71/38/55/569713855.db2.gz GQPDMQDFHVUEHX-UHFFFAOYSA-N 0 0 488.928 4.406 50 0 JIAARN O=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000085664671 569714798 /nfs/dbraw/zinc/71/47/98/569714798.db2.gz CARIOSZAKSQQCX-UHFFFAOYSA-N 0 0 476.933 4.321 50 0 JIAARN Cc1oc(-c2ccccc2Cl)nc1CSc1nc2c(nc[nH]c2=O)n1C[C@H]1CCCO1 ZINC000085704105 569714938 /nfs/dbraw/zinc/71/49/38/569714938.db2.gz HUTZMTVZIYWLOY-CYBMUJFWSA-N 0 0 457.943 4.208 50 0 JIAARN CCOc1cc(C(=O)N2CCN(C(=O)c3[nH]c4ccccc4c3C)CC2)cc(OCC)c1OCC ZINC000085811207 569715515 /nfs/dbraw/zinc/71/55/15/569715515.db2.gz UHNPBLMEEYBNJK-UHFFFAOYSA-N 0 0 479.577 4.271 50 0 JIAARN COc1ccc(C(=O)N(Cc2nc3nc(C)cc(C)n3n2)c2cccc(Cl)c2)cc1OC ZINC000086066433 569717591 /nfs/dbraw/zinc/71/75/91/569717591.db2.gz AQKYCGVDJQXRNO-UHFFFAOYSA-N 0 0 451.914 4.259 50 0 JIAARN CCOCCCN(CC(=O)c1c(C)c(C(=O)OCC)n(CC)c1C)C(=O)c1ccccc1F ZINC000035869053 569717943 /nfs/dbraw/zinc/71/79/43/569717943.db2.gz UJFQTYHCIDFTND-UHFFFAOYSA-N 0 0 460.546 4.192 50 0 JIAARN O=C(NCc1ccncc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000035871333 569718659 /nfs/dbraw/zinc/71/86/59/569718659.db2.gz VJPAYKLGVBEAKG-UPVQGACJSA-N 0 0 466.507 4.284 50 0 JIAARN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccc(Cl)cc1 ZINC000035876615 569719675 /nfs/dbraw/zinc/71/96/75/569719675.db2.gz KEVRPFKPSLACSC-MKXGPGLRSA-N 0 0 462.855 4.194 50 0 JIAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000089942374 569720548 /nfs/dbraw/zinc/72/05/48/569720548.db2.gz OZBNHGXPJFBWIR-QZTJIDSGSA-N 0 0 464.031 4.187 50 0 JIAARN CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000095100959 569721738 /nfs/dbraw/zinc/72/17/38/569721738.db2.gz IHMYPKRKEWWHOR-DEOSSOPVSA-N 0 0 467.997 4.466 50 0 JIAARN O=C(c1nn(-c2ccccc2)c2c(O)n(-c3ccc(Br)cc3)c(O)c12)c1ccccc1 ZINC000095396960 569723082 /nfs/dbraw/zinc/72/30/82/569723082.db2.gz BYRVROBEZIBBDY-TZIWHRDSSA-N 0 0 474.314 4.066 50 0 JIAARN COc1ccc2cc([C@H]3SC(C)=Nc4c3c(=O)[nH]n4[C@H]3CCOC(C)(C)C3)c(=O)[nH]c2c1 ZINC000095474473 569724057 /nfs/dbraw/zinc/72/40/57/569724057.db2.gz BKEHFQLCTYRNQS-IFXJQAMLSA-N 0 0 454.552 4.043 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000035908578 569724118 /nfs/dbraw/zinc/72/41/18/569724118.db2.gz KVOSVFZZSRQPNB-UHFFFAOYSA-N 0 0 458.541 4.178 50 0 JIAARN COc1cccc(CC(=O)Nc2ccc3c(c2)CN(CCc2ccc(F)cc2)C(=O)[C@H](C)O3)c1 ZINC000035909436 569724717 /nfs/dbraw/zinc/72/47/17/569724717.db2.gz IICWDNWFYPVVDC-SFHVURJKSA-N 0 0 462.521 4.368 50 0 JIAARN COc1cccc(CC(=O)Nc2ccc3c(c2)CN(Cc2cc(F)cc(F)c2)C(=O)[C@H](C)O3)c1 ZINC000035909529 569724723 /nfs/dbraw/zinc/72/47/23/569724723.db2.gz WTNJNKJCSMJRAV-INIZCTEOSA-N 0 0 466.484 4.464 50 0 JIAARN COc1cccc(CN2Cc3cc(NC(=O)c4ccccc4F)ccc3OCC2=O)c1OC ZINC000035909773 569724986 /nfs/dbraw/zinc/72/49/86/569724986.db2.gz DVYHQWHHLRRPSP-UHFFFAOYSA-N 0 0 450.466 4.016 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCCC4)n3c2=O)nn1-c1cccc(Cl)c1 ZINC000035911699 569726882 /nfs/dbraw/zinc/72/68/82/569726882.db2.gz RXZOKDAYNVNOHO-UHFFFAOYSA-N 0 0 467.982 4.044 50 0 JIAARN CCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccc(C(C)C)cc4)n3)c(=O)n12 ZINC000035911929 569727124 /nfs/dbraw/zinc/72/71/24/569727124.db2.gz YDOBUHTXTRANIH-UHFFFAOYSA-N 0 0 463.607 4.418 50 0 JIAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1ccc(OC)cc1 ZINC000095550773 569727570 /nfs/dbraw/zinc/72/75/70/569727570.db2.gz MKVZPQDYBADEDV-UHFFFAOYSA-N 0 0 486.616 4.338 50 0 JIAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1cccc(OC)c1 ZINC000095550794 569727602 /nfs/dbraw/zinc/72/76/02/569727602.db2.gz QFBXFCDAVSJTOC-UHFFFAOYSA-N 0 0 489.620 4.129 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCN(C(=O)c4cccs4)CC3)c12 ZINC000035912641 569727688 /nfs/dbraw/zinc/72/76/88/569727688.db2.gz ZYCBFHJLELMLCA-UHFFFAOYSA-N 0 0 460.607 4.346 50 0 JIAARN COc1ccc(C(=O)CSc2nc3c(cc(OC)c(OC)c3OC)c(=O)n2-c2ccccc2)cc1 ZINC000035924746 569728171 /nfs/dbraw/zinc/72/81/71/569728171.db2.gz VYWDPCKGCBWCPW-UHFFFAOYSA-N 0 0 492.553 4.395 50 0 JIAARN CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000035925464 569728836 /nfs/dbraw/zinc/72/88/36/569728836.db2.gz KJHCYOFBTSVNFI-UHFFFAOYSA-N 0 0 458.541 4.116 50 0 JIAARN CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)CSc3ccccc3)CC2)n1 ZINC000035925483 569728846 /nfs/dbraw/zinc/72/88/46/569728846.db2.gz HGJIVOZAGPBYQU-UHFFFAOYSA-N 0 0 486.645 4.455 50 0 JIAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000035925563 569728853 /nfs/dbraw/zinc/72/88/53/569728853.db2.gz WYNFBHGBYGRLOD-UHFFFAOYSA-N 0 0 458.541 4.260 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCC(C)C)n3c2=O)nn1-c1ccccc1F ZINC000035925781 569729146 /nfs/dbraw/zinc/72/91/46/569729146.db2.gz UKODVRAEUJRPLE-UHFFFAOYSA-N 0 0 467.570 4.069 50 0 JIAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cc(OC)ccc3OC)C2)c(OC)c1 ZINC000095945242 569730861 /nfs/dbraw/zinc/73/08/61/569730861.db2.gz PNGMLRNAGVBMRN-HSZRJFAPSA-N 0 0 482.558 4.261 50 0 JIAARN CC(C)(C)OC(=O)[C@H]1CC(C(=O)Nc2ccc(NC3CCOCC3)cc2)=NN1c1ccccc1 ZINC000095947891 569731179 /nfs/dbraw/zinc/73/11/79/569731179.db2.gz WCCVQOJIVJSONO-HSZRJFAPSA-N 0 0 464.566 4.193 50 0 JIAARN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 ZINC000096113784 569732853 /nfs/dbraw/zinc/73/28/53/569732853.db2.gz FTGXKEQKPFCQBD-INIZCTEOSA-N 0 0 467.433 4.154 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(C)cc1)C(=O)NC(C)C ZINC000035945946 569733164 /nfs/dbraw/zinc/73/31/64/569733164.db2.gz FKAGUEOIFPHEHQ-HSZRJFAPSA-N 0 0 471.001 4.393 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(C)cc1)C(=O)C1CCCC1 ZINC000035946534 569733762 /nfs/dbraw/zinc/73/37/62/569733762.db2.gz AXEAVHGKMWJIPW-JOCHJYFZSA-N 0 0 453.608 4.399 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cccs1)C(=O)NC(C)(C)C ZINC000035961752 569737210 /nfs/dbraw/zinc/73/72/10/569737210.db2.gz CTYKJPSYOFQRHF-LJQANCHMSA-N 0 0 460.575 4.021 50 0 JIAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)cc1OC ZINC000035948408 569735386 /nfs/dbraw/zinc/73/53/86/569735386.db2.gz SFPGVTHSSINBKA-HXUWFJFHSA-N 0 0 481.549 4.354 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1OC)C(=O)CC(C)(C)C ZINC000035948430 569735404 /nfs/dbraw/zinc/73/54/04/569735404.db2.gz HGFDBJXJHKZEIF-HXUWFJFHSA-N 0 0 471.623 4.346 50 0 JIAARN COc1ccc(OC)c([C@@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)c1 ZINC000035948627 569735465 /nfs/dbraw/zinc/73/54/65/569735465.db2.gz TZAMXHHCOUTWKC-NRFANRHFSA-N 0 0 481.549 4.354 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000035948618 569735504 /nfs/dbraw/zinc/73/55/04/569735504.db2.gz XGYBELODNTXYFB-JOCHJYFZSA-N 0 0 493.585 4.224 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000035948617 569735519 /nfs/dbraw/zinc/73/55/19/569735519.db2.gz XGYBELODNTXYFB-QFIPXVFZSA-N 0 0 493.585 4.224 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc(OC)ccc1OC)C(=O)C1CCCC1 ZINC000035948606 569735523 /nfs/dbraw/zinc/73/55/23/569735523.db2.gz RNMQBEAHGVRYIH-JOCHJYFZSA-N 0 0 499.633 4.108 50 0 JIAARN COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)ccc1OC(C)C ZINC000096117166 569735583 /nfs/dbraw/zinc/73/55/83/569735583.db2.gz IVODNNWHUIIYIG-FOIQADDNSA-N 0 0 461.584 4.289 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1)C(=O)NC(C)(C)C ZINC000035948906 569735714 /nfs/dbraw/zinc/73/57/14/569735714.db2.gz JTHKSUWGILILCB-IBGZPJMESA-N 0 0 460.575 4.021 50 0 JIAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2cccc(Br)c2)CCO1 ZINC000096117363 569735793 /nfs/dbraw/zinc/73/57/93/569735793.db2.gz VSTPKGBYSHFQLM-CJNGLKHVSA-N 0 0 452.374 4.256 50 0 JIAARN COc1ccc2[nH]c(=O)c([C@H]3SC(C)=Nc4c3c(=O)[nH]n4[C@@H]3CCOC(C)(C)C3)cc2c1 ZINC000096118332 569736091 /nfs/dbraw/zinc/73/60/91/569736091.db2.gz QFLQRGHXIAUVDU-AUUYWEPGSA-N 0 0 454.552 4.043 50 0 JIAARN O=C(COc1ccc2occ(-c3ccco3)c2c1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000096118642 569736096 /nfs/dbraw/zinc/73/60/96/569736096.db2.gz HIRQMIFWQYRXEU-SFHVURJKSA-N 0 0 451.500 4.292 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc(F)cc1)C(=O)NC(C)C ZINC000035949487 569736132 /nfs/dbraw/zinc/73/61/32/569736132.db2.gz AAZPUYWNDSBTMO-XMMPIXPASA-N 0 0 468.573 4.187 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccco3)[C@@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000035960370 569736324 /nfs/dbraw/zinc/73/63/24/569736324.db2.gz DVVDOQZSGGFNMZ-JOCHJYFZSA-N 0 0 461.518 4.055 50 0 JIAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000035960676 569736610 /nfs/dbraw/zinc/73/66/10/569736610.db2.gz AFBNYIXESFQRHT-HSZRJFAPSA-N 0 0 487.000 4.094 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(Cl)cc1)C(=O)C(C)C ZINC000035961023 569736741 /nfs/dbraw/zinc/73/67/41/569736741.db2.gz KSMKAXHYOGZTEZ-JOCHJYFZSA-N 0 0 459.949 4.288 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1)C(=O)C1CCCC1 ZINC000035961107 569736824 /nfs/dbraw/zinc/73/68/24/569736824.db2.gz RANFJBDVDLERJT-RUZDIDTESA-N 0 0 493.604 4.047 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(OC)cc1)C(=O)C1CCCC1 ZINC000035961456 569737092 /nfs/dbraw/zinc/73/70/92/569737092.db2.gz DRBNKOLAUABSSN-VWLOTQADSA-N 0 0 481.568 4.177 50 0 JIAARN COC(=O)[C@@](C)(NC(=O)/C=C\c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccccc1 ZINC000096189987 569737144 /nfs/dbraw/zinc/73/71/44/569737144.db2.gz RQCPWDWZRXFVJM-SEPOPDPSSA-N 0 0 498.988 4.359 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccco1 ZINC000035962139 569737497 /nfs/dbraw/zinc/73/74/97/569737497.db2.gz FDXWXGVTNFBOJV-HSZRJFAPSA-N 0 0 495.963 4.408 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)c3cccs3)[C@@H](c3ccccc3OC)C2)c1 ZINC000035962522 569737648 /nfs/dbraw/zinc/73/76/48/569737648.db2.gz QCRFOAMUSWMRFG-OAQYLSRUSA-N 0 0 463.559 4.215 50 0 JIAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)c2cccs2)c1 ZINC000035962725 569737666 /nfs/dbraw/zinc/73/76/66/569737666.db2.gz HQLVXQPQYPRWBB-OAQYLSRUSA-N 0 0 481.549 4.354 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)c3cccs3)[C@H](c3ccccc3OC)C2)c1 ZINC000035962519 569737728 /nfs/dbraw/zinc/73/77/28/569737728.db2.gz QCRFOAMUSWMRFG-NRFANRHFSA-N 0 0 463.559 4.215 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(Cl)cc1)C(=O)NC(C)C ZINC000035963267 569737915 /nfs/dbraw/zinc/73/79/15/569737915.db2.gz MCYACANYLFGFOJ-HSZRJFAPSA-N 0 0 487.000 4.093 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1Cl)C(=O)NC(C)C ZINC000035963191 569737929 /nfs/dbraw/zinc/73/79/29/569737929.db2.gz JFPVXSZUXAVRAA-QHCPKHFHSA-N 0 0 487.000 4.093 50 0 JIAARN Cc1cc(C)c(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NCc3ccc4c(c3)OCO4)no2)c(C)c1 ZINC000096210813 569738051 /nfs/dbraw/zinc/73/80/51/569738051.db2.gz AQCJZSDUJUTPOL-NRFANRHFSA-N 0 0 475.545 4.307 50 0 JIAARN CC(C)C[C@@H](C(=O)Nc1ccc(F)cc1)N1CC2=C(C1=O)[C@H](c1ccccc1Cl)NC(=O)N2C ZINC000035964821 569738305 /nfs/dbraw/zinc/73/83/05/569738305.db2.gz IQCKYWJVNFSFEI-UGKGYDQZSA-N 0 0 484.959 4.325 50 0 JIAARN COc1ccc2cc([C@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccc(O)cc6)coc5c43)c(=O)[nH]c2c1 ZINC000096222873 569739841 /nfs/dbraw/zinc/73/98/41/569739841.db2.gz OYXDFXLKFXUXPJ-LJQANCHMSA-N 0 0 481.460 4.457 50 0 biogenic JIAARN CC1CCC2(CC1)OC[C@@H](C(=O)NC[C@H]1CCCO1)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000035981570 569742798 /nfs/dbraw/zinc/74/27/98/569742798.db2.gz GKNWEBBQIVPVCG-KLBFDWJASA-N 0 0 455.382 4.036 50 0 JIAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)N[C@@H](C)c2ccccc2)COC12CCN(C(=O)CC(C)C)CC2 ZINC000035987390 569743404 /nfs/dbraw/zinc/74/34/04/569743404.db2.gz OJGGUVRGCQHLAR-WIOPSUGQSA-N 0 0 491.632 4.078 50 0 JIAARN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)/C=C\c2ccccc2)c1 ZINC000096936294 569743842 /nfs/dbraw/zinc/74/38/42/569743842.db2.gz BLTMJCILBIGSLM-QINSGFPZSA-N 0 0 469.541 4.088 50 0 JIAARN CCc1ccc(-c2nc(C(=O)N3CCN([C@@H](C(=O)OC)c4ccc(F)cc4)CC3)cs2)cc1 ZINC000096936857 569743899 /nfs/dbraw/zinc/74/38/99/569743899.db2.gz RJJYJPQGQVRTPN-JOCHJYFZSA-N 0 0 467.566 4.184 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)nc(N3CCN(C(=O)c4ccc(C)cc4)CC3)c12 ZINC000035990336 569744074 /nfs/dbraw/zinc/74/40/74/569744074.db2.gz KSMPLGXTJVWWHM-UHFFFAOYSA-N 0 0 452.562 4.272 50 0 JIAARN COc1ccc(C(=O)N2CCN(c3nc(C4CC4)nc4c3c(C)nn4-c3ccc(F)cc3)CC2)cc1 ZINC000035990369 569744209 /nfs/dbraw/zinc/74/42/09/569744209.db2.gz BJZDMPWFQURAAA-UHFFFAOYSA-N 0 0 486.551 4.111 50 0 JIAARN CCc1nc2c(cnn2-c2ccc(OC)cc2)c(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000035992313 569744947 /nfs/dbraw/zinc/74/49/47/569744947.db2.gz YYCZXNCPKUFUNY-UHFFFAOYSA-N 0 0 476.968 4.002 50 0 JIAARN O=C(Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(C(=O)N2CCCC2)c1)c1cccc(F)c1 ZINC000035993092 569745303 /nfs/dbraw/zinc/74/53/03/569745303.db2.gz IKAUOGUCWURCCQ-UHFFFAOYSA-N 0 0 492.595 4.153 50 0 JIAARN CCOc1ccc(CCNC(=O)COC(=O)/C=C\c2ccc(OC(F)F)c(OC)c2)cc1OCC ZINC000097653146 569745470 /nfs/dbraw/zinc/74/54/70/569745470.db2.gz BAQRXFYSYOYYFA-FLIBITNWSA-N 0 0 493.503 4.009 50 0 JIAARN Cc1nn(-c2ccccc2Cl)c2nc(C)nc(N3CCCN(C(=O)c4ccco4)CC3)c12 ZINC000036000399 569745555 /nfs/dbraw/zinc/74/55/55/569745555.db2.gz RIEIBOJQROVPFZ-UHFFFAOYSA-N 0 0 450.930 4.031 50 0 JIAARN Cc1nn(-c2ccccc2Cl)c2nc(C)nc(N3CCCN(C(=O)C4CCCC4)CC3)c12 ZINC000036000423 569745644 /nfs/dbraw/zinc/74/56/44/569745644.db2.gz OOEUPNMUHCNTHA-UHFFFAOYSA-N 0 0 452.990 4.315 50 0 JIAARN Cc1ccc(-c2cc(C(=O)N(CCC(=O)NCc3ccc4c(c3)OCO4)CC(C)C)no2)cc1 ZINC000036002320 569746206 /nfs/dbraw/zinc/74/62/06/569746206.db2.gz UMVHJJKWQYIVTO-UHFFFAOYSA-N 0 0 463.534 4.183 50 0 JIAARN CC(C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000036002997 569746380 /nfs/dbraw/zinc/74/63/80/569746380.db2.gz OEJWAFQYGINYBH-UHFFFAOYSA-N 0 0 458.541 4.431 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(Cc2ccco2)C(=O)c2cccc(OC)c2)c1C ZINC000036004342 569746872 /nfs/dbraw/zinc/74/68/72/569746872.db2.gz UYSYMKIFXUOVMS-QGZVFWFLSA-N 0 0 452.507 4.324 50 0 JIAARN CC(C)C(=O)Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000036005889 569747291 /nfs/dbraw/zinc/74/72/91/569747291.db2.gz PALLYRFMUJWAPK-UHFFFAOYSA-N 0 0 476.621 4.002 50 0 JIAARN O=C(c1ccc(F)cc1)N1CCCN(c2nc(C3CC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000036006221 569747505 /nfs/dbraw/zinc/74/75/05/569747505.db2.gz YIFFRKGQUQAZOJ-UHFFFAOYSA-N 0 0 456.525 4.185 50 0 JIAARN COCCN(Cc1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1)C(=O)c1ccccc1Cl ZINC000036008417 569747883 /nfs/dbraw/zinc/74/78/83/569747883.db2.gz WJJIRPMMOYQQPJ-UHFFFAOYSA-N 0 0 489.977 4.405 50 0 JIAARN Cc1cccc([C@H]2c3cccn3CCN2C(=O)CC(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000036009964 569748096 /nfs/dbraw/zinc/74/80/96/569748096.db2.gz GBWBJBADSLKAJX-DEOSSOPVSA-N 0 0 455.480 4.453 50 0 JIAARN CC(C)N(CC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1)C(=O)C1CCCC1 ZINC000036013415 569748495 /nfs/dbraw/zinc/74/84/95/569748495.db2.gz IOGXLCSYQPRHAU-UHFFFAOYSA-N 0 0 494.611 4.154 50 0 JIAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1)C(=O)NC(C)(C)C ZINC000036013590 569748597 /nfs/dbraw/zinc/74/85/97/569748597.db2.gz KISJQPRZSRYZDE-UHFFFAOYSA-N 0 0 493.652 4.116 50 0 JIAARN CC1CCN(C(=O)CCN(C[C@@H]2CCCO2)C(=O)c2cc(-c3ccccc3Cl)on2)CC1 ZINC000036013662 569748758 /nfs/dbraw/zinc/74/87/58/569748758.db2.gz ZVUFYTNJWBVHRK-SFHVURJKSA-N 0 0 459.974 4.265 50 0 JIAARN COC(=O)c1c(C)c(C(=O)CN(CC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c(C)n1C ZINC000036014699 569748943 /nfs/dbraw/zinc/74/89/43/569748943.db2.gz GIVKWMHGMNJBRE-UHFFFAOYSA-N 0 0 474.623 4.191 50 0 JIAARN CC(C)c1nc2c(cnn2-c2ccccc2Cl)c(N2CCN(C(=O)NC(C)(C)C)CC2)n1 ZINC000036016640 569749337 /nfs/dbraw/zinc/74/93/37/569749337.db2.gz FYFFXRNUQVFGBH-UHFFFAOYSA-N 0 0 455.994 4.222 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C\c4ccccc4)CC3)cc2)cc1OC ZINC000098028409 569749807 /nfs/dbraw/zinc/74/98/07/569749807.db2.gz PNEWDADFJJMHBE-NVNXTCNLSA-N 0 0 471.557 4.318 50 0 JIAARN COc1ccc(C(=O)N2C[C@H](C(=O)NCc3cccnc3)[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000036021575 569750167 /nfs/dbraw/zinc/75/01/67/569750167.db2.gz UCQSIIOBEMJTQX-GOTSBHOMSA-N 0 0 483.490 4.281 50 0 JIAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2CNC(=O)Cc2ccccc2)cc1 ZINC000036021779 569750240 /nfs/dbraw/zinc/75/02/40/569750240.db2.gz GHQVQNCLLNGZAB-VWLOTQADSA-N 0 0 460.574 4.171 50 0 JIAARN CCOc1ccc(CCNC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1OCC ZINC000098211355 569750888 /nfs/dbraw/zinc/75/08/88/569750888.db2.gz JUMOGPPUYBXWEK-UHFFFAOYSA-N 0 0 460.534 4.361 50 0 JIAARN CC[C@H](C)[C@H]1NC2(CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(CC2CC2)C1=O ZINC000036029766 569751315 /nfs/dbraw/zinc/75/13/15/569751315.db2.gz GFECJGZIWVSQEB-HNAYVOBHSA-N 0 0 452.521 4.286 50 0 JIAARN CCCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000100072756 569752445 /nfs/dbraw/zinc/75/24/45/569752445.db2.gz BZLMDRYIVIRYFR-QFIPXVFZSA-N 0 0 475.511 4.338 50 0 JIAARN CCN(CC)c1cc(-c2ccccc2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)o2)n1 ZINC000036038866 569752476 /nfs/dbraw/zinc/75/24/76/569752476.db2.gz YDEMDXMJNBUVPY-UHFFFAOYSA-N 0 0 493.633 4.179 50 0 JIAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1CC(C)C)C(=O)CC(C)(C)C ZINC000036039609 569752585 /nfs/dbraw/zinc/75/25/85/569752585.db2.gz FVBYIKGLUNJDRF-UHFFFAOYSA-N 0 0 477.671 4.233 50 0 JIAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1CC(C)C)C(=O)c1ccccc1 ZINC000036039736 569752682 /nfs/dbraw/zinc/75/26/82/569752682.db2.gz ZOMQQKLORNCJLS-UHFFFAOYSA-N 0 0 453.608 4.484 50 0 JIAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=O)c1ccco1 ZINC000036040173 569752943 /nfs/dbraw/zinc/75/29/43/569752943.db2.gz FZMNULJHUJAAOL-UHFFFAOYSA-N 0 0 463.559 4.161 50 0 JIAARN CCNC(=S)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1CC(C)C ZINC000036040619 569753220 /nfs/dbraw/zinc/75/32/20/569753220.db2.gz FUIPHZMSUSGKQP-UHFFFAOYSA-N 0 0 488.679 4.311 50 0 JIAARN COc1ccc(C(=O)NC[C@@H]2c3cc(OC)c(OC)cc3CCN2Cc2cccc(OC)c2)cc1 ZINC000036040808 569753323 /nfs/dbraw/zinc/75/33/23/569753323.db2.gz URUWZWQURCNQSD-RUZDIDTESA-N 0 0 476.573 4.250 50 0 biogenic JIAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=S)NC(C)C ZINC000036040718 569753352 /nfs/dbraw/zinc/75/33/52/569753352.db2.gz LCPCJRHFUUQZHS-UHFFFAOYSA-N 0 0 470.664 4.010 50 0 JIAARN O=S(=O)(Cc1ccc(F)cc1)c1ncc(CN(C(=S)NC2CC2)C2CC2)n1Cc1ccccc1 ZINC000036040698 569753389 /nfs/dbraw/zinc/75/33/89/569753389.db2.gz SJSANDCRWIGIDU-UHFFFAOYSA-N 0 0 498.649 4.046 50 0 JIAARN COc1cc2c(cc1OC)[C@H](CNS(=O)(=O)c1ccccc1)N(Cc1ccc(C)cc1)CC2 ZINC000036041098 569753610 /nfs/dbraw/zinc/75/36/10/569753610.db2.gz NRCGUZSSGWDOFD-DEOSSOPVSA-N 0 0 466.603 4.090 50 0 JIAARN COc1ccc(NC(=O)N(CCc2ccccc2)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000100167038 569754664 /nfs/dbraw/zinc/75/46/64/569754664.db2.gz JKJRDGALJQVMHC-XMMPIXPASA-N 0 0 473.529 4.113 50 0 JIAARN COc1cc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)N2CCCCC2)cc(OC)c1OC ZINC000036044537 569755190 /nfs/dbraw/zinc/75/51/90/569755190.db2.gz XXSHWQPDUDWRIL-SFTDATJTSA-N 0 0 486.996 4.234 50 0 JIAARN CCN(C)C(=O)[C@H]1CN(C(=O)c2ccc(Cl)cc2Cl)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044593 569755191 /nfs/dbraw/zinc/75/51/91/569755191.db2.gz FIIWWQJYIXZOSU-ROUUACIJSA-N 0 0 495.403 4.353 50 0 JIAARN CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccccc1)C(=O)c1cccc(OC)c1 ZINC000036044788 569755286 /nfs/dbraw/zinc/75/52/86/569755286.db2.gz YZRHUHTUIWBCFO-UHFFFAOYSA-N 0 0 484.556 4.657 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)Cc1ccccc1)N(C(=O)Nc1ccccc1F)CC2 ZINC000036048392 569756023 /nfs/dbraw/zinc/75/60/23/569756023.db2.gz LXKAPWRXHBXNFS-HSZRJFAPSA-N 0 0 477.536 4.333 50 0 JIAARN COc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CNC(=O)CC(C)C ZINC000036048455 569756029 /nfs/dbraw/zinc/75/60/29/569756029.db2.gz UDFWXKSHPSHGTF-HXUWFJFHSA-N 0 0 455.555 4.006 50 0 JIAARN COc1cc2c(cc1OC)[C@H](CNC(=O)Cc1ccccc1)N(C(=O)Nc1ccccc1F)CC2 ZINC000036048391 569756071 /nfs/dbraw/zinc/75/60/71/569756071.db2.gz LXKAPWRXHBXNFS-QHCPKHFHSA-N 0 0 477.536 4.333 50 0 JIAARN C[C@@H]1CCCCN1C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036250260 569758102 /nfs/dbraw/zinc/75/81/02/569758102.db2.gz QLDRMUYVKHWLRN-XMSQKQJNSA-N 0 0 476.459 4.167 50 0 JIAARN O=C(NCc1ccccc1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036251803 569758406 /nfs/dbraw/zinc/75/84/06/569758406.db2.gz NPDDDWLWCRZTBR-HSZRJFAPSA-N 0 0 473.539 4.338 50 0 JIAARN O=C(NCc1ccncc1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036251285 569758444 /nfs/dbraw/zinc/75/84/44/569758444.db2.gz CZYNTUIVLHAOOB-JOCHJYFZSA-N 0 0 475.420 4.021 50 0 JIAARN O=C(N[C@H]1CCCc2ccccc21)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036252499 569758548 /nfs/dbraw/zinc/75/85/48/569758548.db2.gz SJRJCLXKBHVRHA-IZZNHLLZSA-N 0 0 463.597 4.336 50 0 JIAARN CC[C@@H](C(=O)N1CCN([C@@H](C(=O)NCc2ccccc2F)C2CCCC2)CC1)c1ccccc1 ZINC000036255520 569758774 /nfs/dbraw/zinc/75/87/74/569758774.db2.gz DTSFCKKHGGEYPX-AOYPEHQESA-N 0 0 465.613 4.339 50 0 JIAARN CN1CCN(c2onc(-c3ccc(F)cc3)c2CN(C[C@H]2CCCO2)C(=O)c2cccc(F)c2)CC1 ZINC000036312252 569760163 /nfs/dbraw/zinc/76/01/63/569760163.db2.gz ZRBAQKNGFWVIQM-HSZRJFAPSA-N 0 0 496.558 4.193 50 0 JIAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(C[C@@H]2CCCO2)C(=O)c2cccc(F)c2)c1 ZINC000036314352 569761905 /nfs/dbraw/zinc/76/19/05/569761905.db2.gz IIZMZEHPRKHTCG-QHCPKHFHSA-N 0 0 479.552 4.447 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000036341298 569764506 /nfs/dbraw/zinc/76/45/06/569764506.db2.gz NEGASGQAIGVCFT-HHHXNRCGSA-N 0 0 490.554 4.473 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@H](c3ccccc3F)C2)c1 ZINC000036341517 569764703 /nfs/dbraw/zinc/76/47/03/569764703.db2.gz LZWWBNRLQNJETG-MHZLTWQESA-N 0 0 490.554 4.473 50 0 JIAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccccc2OC)C[C@H]1c1ccc(C)cc1 ZINC000036342515 569765793 /nfs/dbraw/zinc/76/57/93/569765793.db2.gz FFBQGGXIPOJZQE-RPWUZVMVSA-N 0 0 463.578 4.099 50 0 JIAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036342537 569765992 /nfs/dbraw/zinc/76/59/92/569765992.db2.gz USZMKRFCDRQOHX-XMMPIXPASA-N 0 0 467.997 4.473 50 0 JIAARN CCOC(=O)N1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2C)CC1 ZINC000036342835 569766065 /nfs/dbraw/zinc/76/60/65/569766065.db2.gz BVPFMJFBBDWBMX-RUZDIDTESA-N 0 0 462.594 4.064 50 0 JIAARN COc1ccccc1C1=NN(C(=O)CN2CCN(Cc3ccccc3)CC2)[C@H](c2ccc(C)cc2)C1 ZINC000036343641 569766533 /nfs/dbraw/zinc/76/65/33/569766533.db2.gz HOGVCNXQJALANI-NDEPHWFRSA-N 0 0 482.628 4.499 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036344445 569767014 /nfs/dbraw/zinc/76/70/14/569767014.db2.gz KHEOVEIRRNEVIK-RUZDIDTESA-N 0 0 453.542 4.460 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(C)cc2C)C1 ZINC000036345767 569768263 /nfs/dbraw/zinc/76/82/63/569768263.db2.gz SYASLWNCQCWJFD-GJZUVCINSA-N 0 0 477.605 4.265 50 0 JIAARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Br)cc4)c3)C(=O)[C@@H]21 ZINC000100744215 569768531 /nfs/dbraw/zinc/76/85/31/569768531.db2.gz ZAKIKYBNFKWDDQ-XWRIVVANSA-N 0 0 482.330 4.190 50 0 JIAARN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2C)c(OC)c1 ZINC000100799445 569770452 /nfs/dbraw/zinc/77/04/52/569770452.db2.gz KQPPGDLDKQTQST-GVAUOCQISA-N 0 0 458.514 4.372 50 0 JIAARN CCOC[C@H](O)CN(CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346691 569770536 /nfs/dbraw/zinc/77/05/36/569770536.db2.gz TYGMKBYUHSRRLF-JOCHJYFZSA-N 0 0 475.536 4.097 50 0 JIAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(F)ccc3n2C)cc1 ZINC000100821139 569771219 /nfs/dbraw/zinc/77/12/19/569771219.db2.gz OBWXVFZOOCRKQR-KAMJJXHCSA-N 0 0 461.584 4.073 50 0 JIAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cccc(Cl)c4n3C)cc2)C1 ZINC000100821286 569771328 /nfs/dbraw/zinc/77/13/28/569771328.db2.gz DEEUWNIOJIYAKA-ZMCBVEOSSA-N 0 0 464.012 4.055 50 0 JIAARN CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(Cc4cccc(Cl)c4)CC3)c2c1 ZINC000036353696 569771539 /nfs/dbraw/zinc/77/15/39/569771539.db2.gz BDSKYENCBCPYDB-QHCPKHFHSA-N 0 0 468.985 4.359 50 0 JIAARN COCCn1c2ccc(Cl)cc2s/c1=N\C(=O)c1ccccc1I ZINC000100872503 569773164 /nfs/dbraw/zinc/77/31/64/569773164.db2.gz ZOQJIGQQUFZWCF-JZJYNLBNSA-N 0 0 472.735 4.348 50 0 JIAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 ZINC000036395474 569774856 /nfs/dbraw/zinc/77/48/56/569774856.db2.gz GMDTXCYQAREBKT-UHFFFAOYSA-N 0 0 455.509 4.202 50 0 JIAARN Cc1cc(CN2CCN(C(=O)c3cc4c(C)nn(-c5ccccc5Cl)c4s3)CC2)no1 ZINC000036396350 569774930 /nfs/dbraw/zinc/77/49/30/569774930.db2.gz MQXNZJHIBPWLRN-UHFFFAOYSA-N 0 0 455.971 4.303 50 0 JIAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2 ZINC000100904800 569774971 /nfs/dbraw/zinc/77/49/71/569774971.db2.gz PCOJKVRIJLMSTL-SVFBPWRDSA-N 0 0 457.921 4.443 50 0 JIAARN CC[C@H](c1nnc(SCC(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)n1Cc1ccccc1)N(C)C ZINC000100904701 569774987 /nfs/dbraw/zinc/77/49/87/569774987.db2.gz AZRBOYZYICVNMV-IIBYNOLFSA-N 0 0 463.607 4.370 50 0 JIAARN CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@H]2C)c1 ZINC000036435349 569775740 /nfs/dbraw/zinc/77/57/40/569775740.db2.gz RMSRAQRVNZFHJG-APWZRJJASA-N 0 0 462.637 4.469 50 0 JIAARN CN(Nc1cc(=O)n(-c2cccc(C(F)(F)F)c2)c(=O)[nH]1)c1ncc(C(F)(F)F)cc1Cl ZINC000100920988 569775906 /nfs/dbraw/zinc/77/59/06/569775906.db2.gz ITQOMYPZSGGBIX-UHFFFAOYSA-N 0 0 479.768 4.487 50 0 JIAARN CCN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000036450982 569776118 /nfs/dbraw/zinc/77/61/18/569776118.db2.gz TVSVSIAGMTUMKE-QFIPXVFZSA-N 0 0 489.963 4.369 50 0 JIAARN C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000036488163 569776168 /nfs/dbraw/zinc/77/61/68/569776168.db2.gz QBDULLSPCDIQCD-KYHPRHEASA-N 0 0 464.031 4.214 50 0 JIAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@H]1c1ccc(C)cc1C ZINC000100933140 569776417 /nfs/dbraw/zinc/77/64/17/569776417.db2.gz COBYHQFYACIARR-CVDCTZTESA-N 0 0 469.607 4.127 50 0 JIAARN CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2)N2C(CC(=O)NC[C@H]3CCCO3)=CSC2=N1 ZINC000100940216 569776910 /nfs/dbraw/zinc/77/69/10/569776910.db2.gz BNKJMZKVENSUGB-KNQAVFIVSA-N 0 0 469.607 4.289 50 0 JIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCc3cccs3)N2[C@H]1c1ccccc1OC ZINC000100945496 569777291 /nfs/dbraw/zinc/77/72/91/569777291.db2.gz RBVBGUPMMYTEQU-QFIPXVFZSA-N 0 0 483.615 4.254 50 0 JIAARN Cn1ncc(C(=O)NCc2cc3c(s2)CCCC3)c1C(=O)NCc1cc2c(s1)CCCC2 ZINC000036617932 569778437 /nfs/dbraw/zinc/77/84/37/569778437.db2.gz IRQQSNNLPASUBM-UHFFFAOYSA-N 0 0 468.648 4.161 50 0 JIAARN COc1ccccc1-n1ncc2c1c(SCC(=O)Nc1ccc3c(c1)OCO3)nnc2C(C)C ZINC000036705185 569780285 /nfs/dbraw/zinc/78/02/85/569780285.db2.gz RMRHASYBQBPXHQ-UHFFFAOYSA-N 0 0 477.546 4.407 50 0 JIAARN C[C@@H](NC(=O)CCCCCCC(=O)N[C@@H](C)[C@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 ZINC000101057647 569780621 /nfs/dbraw/zinc/78/06/21/569780621.db2.gz JVKYCWVBOGIFCQ-CVFFRKHJSA-N 0 0 496.604 4.016 50 0 biogenic JIAARN COc1ccc(CN2C(=O)[C@H]3Cc4ccccc4CN3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000037006564 569781212 /nfs/dbraw/zinc/78/12/12/569781212.db2.gz JUOYTPDKCFVSEM-GGXMVOPNSA-N 0 0 475.633 4.062 50 0 JIAARN CC[C@H](C(=O)N[C@H](C)c1ccccc1)n1c2ccccc2c(=O)n(-c2cccc(C(C)=O)c2)c1=O ZINC000037263747 569781964 /nfs/dbraw/zinc/78/19/64/569781964.db2.gz AXTRAHIRVKPJSL-HOYKHHGWSA-N 0 0 469.541 4.184 50 0 JIAARN Cc1cccc(C(=O)NC2CCN(c3ccccc3C(=O)NCc3ccc4c(c3)OCO4)CC2)c1 ZINC000037276605 569782219 /nfs/dbraw/zinc/78/22/19/569782219.db2.gz HTXCRMQNIBMDIN-UHFFFAOYSA-N 0 0 471.557 4.053 50 0 JIAARN COc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)CC(C)(C)C)CC1 ZINC000037276938 569782292 /nfs/dbraw/zinc/78/22/92/569782292.db2.gz XULFOSUZTPPDPI-UHFFFAOYSA-N 0 0 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Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCCN(C(=O)C4CC4)CC3)c12 ZINC000037379279 569784722 /nfs/dbraw/zinc/78/47/22/569784722.db2.gz DTTSFRBCRLAHIO-UHFFFAOYSA-N 0 0 484.579 4.303 50 0 JIAARN O=C(CCN(CCCN1CCOCC1)c1nc(-c2ccco2)nc2ccccc21)NCc1ccccc1 ZINC000037384195 569785478 /nfs/dbraw/zinc/78/54/78/569785478.db2.gz LJTDQWBKSMGPIP-UHFFFAOYSA-N 0 0 499.615 4.125 50 0 JIAARN COCCOc1nc(-c2cccc(OC)c2)n(-c2cccc(NC(=O)c3cccc(OC)c3)c2)n1 ZINC000037385192 569786131 /nfs/dbraw/zinc/78/61/31/569786131.db2.gz YUWQIVJAMCBEMH-UHFFFAOYSA-N 0 0 474.517 4.229 50 0 JIAARN CCN1CCN(C(=O)c2ccc(CSc3nnc(C)n3-c3cccc(Cl)c3)cc2)CC1 ZINC000037398241 569787134 /nfs/dbraw/zinc/78/71/34/569787134.db2.gz HGADXPRQANSSPG-UHFFFAOYSA-N 0 0 456.015 4.299 50 0 JIAARN Cc1ccc(-n2c(SCc3ccc(C(=O)N4CCOCC4)cc3)nnc2-c2ccncc2)cc1 ZINC000037398642 569787431 /nfs/dbraw/zinc/78/74/31/569787431.db2.gz DTVTYQLRUUBVHR-UHFFFAOYSA-N 0 0 471.586 4.402 50 0 JIAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(Cc3ccco3)C(=O)C3CCC3)cc2)cc1 ZINC000037400170 569787973 /nfs/dbraw/zinc/78/79/73/569787973.db2.gz IESBPJWFVGYVLO-UHFFFAOYSA-N 0 0 455.532 4.385 50 0 JIAARN COc1cc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101248362 569788028 /nfs/dbraw/zinc/78/80/28/569788028.db2.gz SNVNZNRCDXENJU-VXNXHJTFSA-N 0 0 494.931 4.417 50 0 JIAARN CCNC(=O)[C@]1(OCc2cccc(C)c2)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2ccc(F)cc2)C1 ZINC000037403079 569788433 /nfs/dbraw/zinc/78/84/33/569788433.db2.gz BLFPECACBCKGIA-CHQSNSNVSA-N 0 0 471.569 4.425 50 0 JIAARN COc1ccc(CN(C(=O)CC(C)(C)C)C2CC2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037420077 569788491 /nfs/dbraw/zinc/78/84/91/569788491.db2.gz VIGLVFQKMVLBQQ-UHFFFAOYSA-N 0 0 488.606 4.349 50 0 JIAARN CCNC(=O)N(Cc1ccc(F)cc1)Cc1ccc(OC)c(OS(=O)(=O)c2ccc(F)cc2)c1 ZINC000037403217 569788567 /nfs/dbraw/zinc/78/85/67/569788567.db2.gz REVSCVJKCZUJAL-UHFFFAOYSA-N 0 0 490.528 4.473 50 0 JIAARN CC[C@H](C)NC(=O)CN1c2c(c(C(C)(C)C)nn2C)[C@@H](c2ccccc2Cl)SCC1=O ZINC000037425635 569788973 /nfs/dbraw/zinc/78/89/73/569788973.db2.gz SRAKCCQFMYXAGY-VBKZILBWSA-N 0 0 463.047 4.455 50 0 JIAARN COCCNC(=O)[C@@H](C)n1c2ccc(C)cc2s/c1=N\C(=O)c1cccc(C(F)(F)F)c1 ZINC000037427865 569789617 /nfs/dbraw/zinc/78/96/17/569789617.db2.gz KWCFXRZLUHHHDK-JDZFCHDFSA-N 0 0 465.497 4.095 50 0 JIAARN COc1ccccc1Nc1nc(C(=O)N(CC(=O)NCc2cccnc2)Cc2ccccc2)cs1 ZINC000037436360 569790200 /nfs/dbraw/zinc/79/02/00/569790200.db2.gz RYZPHUWLDUHIOU-UHFFFAOYSA-N 0 0 487.585 4.249 50 0 JIAARN COc1ccccc1Nc1nc(C(=O)N(CC(=O)N2CCCC2)Cc2ccccc2)cs1 ZINC000037437900 569790286 /nfs/dbraw/zinc/79/02/86/569790286.db2.gz KCASTUFPAYRLLY-UHFFFAOYSA-N 0 0 450.564 4.160 50 0 JIAARN CCCCNC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4cccc(C)c4)cc32)o1 ZINC000037510929 569791376 /nfs/dbraw/zinc/79/13/76/569791376.db2.gz BPNXKSLYVUADFZ-UHFFFAOYSA-N 0 0 476.529 4.305 50 0 JIAARN CC(C)CCNC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4cccc(F)c4)cc32)o1 ZINC000037510648 569791380 /nfs/dbraw/zinc/79/13/80/569791380.db2.gz BMWSYBLTWLLTCM-UHFFFAOYSA-N 0 0 494.519 4.382 50 0 JIAARN CCCCNC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4ccc(C)cc4)cc32)o1 ZINC000037511238 569791453 /nfs/dbraw/zinc/79/14/53/569791453.db2.gz KIMIFWNFKRXHPR-UHFFFAOYSA-N 0 0 476.529 4.305 50 0 JIAARN C[C@H](C(=O)NCCc1ccccc1)N1C(=O)COc2ccc(C(=O)COc3cccc(Cl)c3)cc21 ZINC000037511092 569791462 /nfs/dbraw/zinc/79/14/62/569791462.db2.gz IKKFLGFGQVKSJG-GOSISDBHSA-N 0 0 492.959 4.075 50 0 JIAARN CCCCNC(=O)c1coc(CN2C(=O)COc3ccc(C(=O)COc4ccc(C)c(C)c4)cc32)n1 ZINC000037512367 569792124 /nfs/dbraw/zinc/79/21/24/569792124.db2.gz MHDYNKYKCXPREX-UHFFFAOYSA-N 0 0 491.544 4.009 50 0 JIAARN COc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000037524506 569793124 /nfs/dbraw/zinc/79/31/24/569793124.db2.gz UKNHNEVPYFJKPJ-UHFFFAOYSA-N 0 0 493.554 4.345 50 0 JIAARN O=C(NCc1ccco1)c1ccccc1N1CCC(NC(=O)c2cccc(Br)c2)CC1 ZINC000037524685 569793286 /nfs/dbraw/zinc/79/32/86/569793286.db2.gz YBHLECSLLIIHOX-UHFFFAOYSA-N 0 0 482.378 4.371 50 0 JIAARN O=C(c1ccccc1F)N1CCN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CC1 ZINC000037554630 569794849 /nfs/dbraw/zinc/79/48/49/569794849.db2.gz SNCWIQCHFOIJQN-UHFFFAOYSA-N 0 0 458.522 4.108 50 0 JIAARN COc1cccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)N3CCOCC3)cc2)c1 ZINC000037556081 569795140 /nfs/dbraw/zinc/79/51/40/569795140.db2.gz HQACVAUYHBHCOQ-UHFFFAOYSA-N 0 0 462.521 4.083 50 0 JIAARN O=C(NCCc1c[nH]c2ccccc12)c1nnsc1NC(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000101377076 569795226 /nfs/dbraw/zinc/79/52/26/569795226.db2.gz DBOCKPWIPPZMDE-HXUWFJFHSA-N 0 0 475.578 4.146 50 0 JIAARN Cc1ccc2[nH]cc(CCNC(=O)c3nnsc3NC(=O)N3CCCC[C@@H]3c3cccnc3)c2c1 ZINC000101377054 569795235 /nfs/dbraw/zinc/79/52/35/569795235.db2.gz PACHUTJXPQPRDO-OAQYLSRUSA-N 0 0 489.605 4.454 50 0 JIAARN CCOC(=O)[C@H]1CCCN(C(=O)Cc2ccc(N(Cc3ccc(C)cc3)C(=O)C3CC3)cc2)C1 ZINC000037557409 569795341 /nfs/dbraw/zinc/79/53/41/569795341.db2.gz CZAJRCITNCKHKB-DEOSSOPVSA-N 0 0 462.590 4.282 50 0 JIAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCc2nc(N3CCOCC3)nc(Oc3ccccc3)c2C1 ZINC000037579369 569796499 /nfs/dbraw/zinc/79/64/99/569796499.db2.gz AMDGNQMVZZVVJS-UHFFFAOYSA-N 0 0 484.478 4.323 50 0 JIAARN CC1CCN(c2nc3c(c(Oc4ccccc4)n2)CN(S(=O)(=O)c2ccccc2)CC3)CC1 ZINC000037580276 569796619 /nfs/dbraw/zinc/79/66/19/569796619.db2.gz DFSLRSSKBIHEOR-UHFFFAOYSA-N 0 0 464.591 4.252 50 0 JIAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)CC(C)C)CC2)C(=O)NCCOC ZINC000037602523 569797654 /nfs/dbraw/zinc/79/76/54/569797654.db2.gz JGOQCYSSEDCMPU-AZGAKELHSA-N 0 0 470.585 4.266 50 0 JIAARN CC(C)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000038204938 569801018 /nfs/dbraw/zinc/80/10/18/569801018.db2.gz GQWPSBYZXHAMGD-UKWGHVSLSA-N 0 0 454.504 4.125 50 0 JIAARN O=C([O-])CCCC(=O)NC1=NC2=[NH+][C@@H](c3ccc(Cl)cc3)C[C@H](c3ccccc3Cl)N2N1 ZINC000038223278 569801083 /nfs/dbraw/zinc/80/10/83/569801083.db2.gz NHXWTVUJQYDQMX-QZTJIDSGSA-N 0 0 474.348 4.083 50 0 JIAARN O=C([O-])CCCC(=O)NC1=NC2=[NH+][C@@H](c3ccc(Cl)cc3)C[C@@H](c3ccccc3Cl)N2N1 ZINC000038223277 569801097 /nfs/dbraw/zinc/80/10/97/569801097.db2.gz NHXWTVUJQYDQMX-MSOLQXFVSA-N 0 0 474.348 4.083 50 0 JIAARN COc1cc(OC)c(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)cs3)c2N)cc1Cl ZINC000038486912 569801682 /nfs/dbraw/zinc/80/16/82/569801682.db2.gz NJBRFRRDEIBEAM-UHFFFAOYSA-N 0 0 457.899 4.039 50 0 JIAARN COc1ccc(-c2cc3c4nnc(SCC(=O)Nc5cccc(C)c5C)n4ccn3n2)cc1 ZINC000038486991 569801700 /nfs/dbraw/zinc/80/17/00/569801700.db2.gz OKQLUAGEXDFKJC-UHFFFAOYSA-N 0 0 458.547 4.400 50 0 JIAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000101628129 569801905 /nfs/dbraw/zinc/80/19/05/569801905.db2.gz GDGYOOYMVHVHBH-KDURUIRLSA-N 0 0 480.508 4.490 50 0 JIAARN CCOc1ccc(-c2noc(Cn3c4ccccc4c(=O)n(-c4cc(C)ccc4C)c3=O)n2)cc1OC ZINC000038487311 569801904 /nfs/dbraw/zinc/80/19/04/569801904.db2.gz CQZAIHOXEXMGIH-UHFFFAOYSA-N 0 0 498.539 4.275 50 0 JIAARN Cc1ccc(Cn2c(=O)c3ccc(C(=O)NC[C@@H](C)c4ccccc4)cc3nc2N2CCOCC2)cc1 ZINC000038487715 569802093 /nfs/dbraw/zinc/80/20/93/569802093.db2.gz PLKQOAOFHCHIHY-JOCHJYFZSA-N 0 0 496.611 4.123 50 0 JIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCC[C@H]3C)N2[C@H]1c1ccc(OC)cc1 ZINC000101710455 569803164 /nfs/dbraw/zinc/80/31/64/569803164.db2.gz MZCBFKRMLGMMLW-QRQCRPRQSA-N 0 0 455.580 4.234 50 0 JIAARN COc1cc(OC)cc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(CCCc3ccccc3)c4=O)n2)c1 ZINC000038652268 569805727 /nfs/dbraw/zinc/80/57/27/569805727.db2.gz RJXKJJSQEUKNPO-UHFFFAOYSA-N 0 0 484.512 4.057 50 0 JIAARN COc1cccc(NC(=O)CSc2nccn2-c2ccc(C(=O)NCc3ccco3)cc2)c1 ZINC000038653431 569805860 /nfs/dbraw/zinc/80/58/60/569805860.db2.gz WADGUAFQYKKIEW-UHFFFAOYSA-N 0 0 462.531 4.135 50 0 JIAARN COc1ccccc1NC(=O)CSc1nccn1-c1ccc(C(=O)NCc2ccco2)cc1 ZINC000038653424 569805863 /nfs/dbraw/zinc/80/58/63/569805863.db2.gz SEBCBYMJIBTILO-UHFFFAOYSA-N 0 0 462.531 4.135 50 0 JIAARN COc1ccccc1CN(C(=O)c1ccc(C)cc1)c1nn2c(nc(C)c(Cc3ccccc3)c2=O)[nH]1 ZINC000101861230 569806544 /nfs/dbraw/zinc/80/65/44/569806544.db2.gz GLNGEFXJKIOOLM-UHFFFAOYSA-N 0 0 493.567 4.481 50 0 JIAARN O=C(CN1c2ncccc2N=C(c2ccccc2)CC1=O)Nc1ccc(Br)cc1F ZINC000101881974 569807353 /nfs/dbraw/zinc/80/73/53/569807353.db2.gz JNSGGDYSMLCGQH-UHFFFAOYSA-N 0 0 467.298 4.479 50 0 JIAARN C[C@H](O)c1cc2c(cc1NC(=O)c1cnn3c1N[C@H](c1ccco1)C[C@H]3C(F)(F)F)OCO2 ZINC000101956340 569808377 /nfs/dbraw/zinc/80/83/77/569808377.db2.gz PUIFCMSZCUVAIO-KCJDHBRGSA-N 0 0 464.400 4.171 50 0 JIAARN CC[C@@H](C)NC(=O)CC1=CSC2=NC(C)=C(C(=O)OCCOC)[C@H](c3cc(C)ccc3C)N12 ZINC000102031795 569809139 /nfs/dbraw/zinc/80/91/39/569809139.db2.gz HPZSNFVKCSPHRR-HXOBKFHXSA-N 0 0 471.623 4.373 50 0 JIAARN Cc1ccc2c(c1)CN(CC(=O)NCCc1cn3ccsc3n1)C[C@H](c1ccsc1)O2 ZINC000039363055 569809514 /nfs/dbraw/zinc/80/95/14/569809514.db2.gz PXJLTUKBGKQZPU-OAQYLSRUSA-N 0 0 452.605 4.060 50 0 JIAARN CCOC(=O)C(=C(O)CSc1nc(C(F)(F)F)nc2ccccc21)c1nc(C)cs1 ZINC000102161224 569810309 /nfs/dbraw/zinc/81/03/09/569810309.db2.gz YRPYLGSDDKULAM-AWEZNQCLSA-N 0 0 455.483 4.422 50 0 JIAARN C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000102226303 569811169 /nfs/dbraw/zinc/81/11/69/569811169.db2.gz GVUINHCMGGGEIE-JYJNAYRXSA-N 0 0 480.533 4.100 50 0 JIAARN O=C(C[C@H]1SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000039793268 569811977 /nfs/dbraw/zinc/81/19/77/569811977.db2.gz SSVKKXNQRWNBNN-OAHLLOKOSA-N 0 0 452.319 4.025 50 0 JIAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000039916478 569812219 /nfs/dbraw/zinc/81/22/19/569812219.db2.gz FRRIGDCBTBWBCQ-XMMPIXPASA-N 0 0 450.560 4.066 50 0 JIAARN O=C(CCCCN1CCN(C(=O)c2ccccc2)CC1)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000039929886 569812330 /nfs/dbraw/zinc/81/23/30/569812330.db2.gz OEGVMVCGKMSDHI-UHFFFAOYSA-N 0 0 460.622 4.016 50 0 JIAARN CCCCc1c(O)nc(SCC(=O)Nc2ccc(OC)cc2)n(-c2ccccc2OC)c1=O ZINC000102523423 569813845 /nfs/dbraw/zinc/81/38/45/569813845.db2.gz QLCDXQPAGBBRLP-UHFFFAOYSA-N 0 0 469.563 4.029 50 0 JIAARN CC(=O)N1CCCN(CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)CC1 ZINC000040018022 569813910 /nfs/dbraw/zinc/81/39/10/569813910.db2.gz WIKSNHVUVPNUBH-MHZLTWQESA-N 0 0 454.574 4.072 50 0 JIAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CNC(=O)NCc1ccc(F)cc1 ZINC000040040458 569814743 /nfs/dbraw/zinc/81/47/43/569814743.db2.gz RUELAIPBANUDOU-SFHVURJKSA-N 0 0 462.525 4.097 50 0 JIAARN COc1ccc(CN(C(=O)COC(=O)c2cnn(-c3cccc(Cl)c3)c2C)C2CC2)cc1 ZINC000040071834 569815591 /nfs/dbraw/zinc/81/55/91/569815591.db2.gz NOZDYOSAZDNDMQ-UHFFFAOYSA-N 0 0 453.926 4.191 50 0 JIAARN Nc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(OC(=O)c3ccccc3)c1)C1C(=O)c3ccccc3C1=N2 ZINC000102699623 569816178 /nfs/dbraw/zinc/81/61/78/569816178.db2.gz SVCNLEIWTLQPSX-IBGZPJMESA-N 0 0 462.465 4.120 50 0 JIAARN COc1cccc(N2CCN(C(=O)c3ccccc3NC(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000040119596 569816691 /nfs/dbraw/zinc/81/66/91/569816691.db2.gz VEUZNTVCGPIDGE-UHFFFAOYSA-N 0 0 465.941 4.350 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(OCCn3ccnc3)c2)cc1 ZINC000040134882 569817108 /nfs/dbraw/zinc/81/71/08/569817108.db2.gz NXKSUCWGTRRBSP-UHFFFAOYSA-N 0 0 476.558 4.040 50 0 JIAARN COc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1S(=O)(=O)NC(C)C ZINC000040135085 569817230 /nfs/dbraw/zinc/81/72/30/569817230.db2.gz CGBYBBWSLUCDIN-UHFFFAOYSA-N 0 0 491.997 4.196 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cc4cc(F)ccc4s3)CC2)cc1C ZINC000040135173 569817274 /nfs/dbraw/zinc/81/72/74/569817274.db2.gz NAYPCJKJPXTUGT-UHFFFAOYSA-N 0 0 460.596 4.374 50 0 JIAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc(OCCn2cccn2)c1 ZINC000040135699 569817396 /nfs/dbraw/zinc/81/73/96/569817396.db2.gz LXXRWKLEOQYPIS-LJQANCHMSA-N 0 0 476.480 4.423 50 0 JIAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc(OCCn2cccn2)c1 ZINC000040135700 569817462 /nfs/dbraw/zinc/81/74/62/569817462.db2.gz LXXRWKLEOQYPIS-IBGZPJMESA-N 0 0 476.480 4.423 50 0 JIAARN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102724633 569817592 /nfs/dbraw/zinc/81/75/92/569817592.db2.gz ZWXHENJJFBRMMR-DNVJHFABSA-N 0 0 464.905 4.408 50 0 JIAARN Cc1c(=O)c2cccc(C(=O)Nc3cccc([C@]4(C)NC(=O)NC4=O)c3)c2oc1-c1ccccc1 ZINC000040146340 569818038 /nfs/dbraw/zinc/81/80/38/569818038.db2.gz VGZRQDUKAMZZPB-MHZLTWQESA-N 0 0 467.481 4.075 50 0 JIAARN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000040148896 569818556 /nfs/dbraw/zinc/81/85/56/569818556.db2.gz CRFZKUIENSINMN-CYBMUJFWSA-N 0 0 456.262 4.354 50 0 JIAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@@H]1c1ccccc1Cl ZINC000102746008 569819878 /nfs/dbraw/zinc/81/98/78/569819878.db2.gz ZQSFHYVMTQFNHO-OAQYLSRUSA-N 0 0 475.998 4.021 50 0 JIAARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(F)c2)N2C(CC(=O)NCCc3ccccn3)=CSC2=N1 ZINC000102747470 569820294 /nfs/dbraw/zinc/82/02/94/569820294.db2.gz DNKRQYLXYYNNFU-DEOSSOPVSA-N 0 0 494.592 4.496 50 0 JIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccccc3)N2[C@H]1c1ccc(OC)cc1OC ZINC000102748953 569820492 /nfs/dbraw/zinc/82/04/92/569820492.db2.gz GYXORKPATLYGRA-DEOSSOPVSA-N 0 0 493.585 4.158 50 0 JIAARN O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000040158333 569821941 /nfs/dbraw/zinc/82/19/41/569821941.db2.gz BBUNPUAXUCBOAB-UHFFFAOYSA-N 0 0 455.194 4.202 50 0 JIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)CSc1ccc(Cl)cc1 ZINC000040159047 569822429 /nfs/dbraw/zinc/82/24/29/569822429.db2.gz SILPEIHJRKSQLN-UHFFFAOYSA-N 0 0 469.968 4.363 50 0 JIAARN CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102763998 569822624 /nfs/dbraw/zinc/82/26/24/569822624.db2.gz BCRALWJTFKMIOT-DNVJHFABSA-N 0 0 461.905 4.350 50 0 JIAARN CCNC(=O)CN1CCCN(C(=O)c2c3c(nc4ccccc42)/C(=C\c2ccc(OC)cc2)CC3)CC1 ZINC000102779002 569823774 /nfs/dbraw/zinc/82/37/74/569823774.db2.gz IJGXTKXDBZRSDO-QOCHGBHMSA-N 0 0 498.627 4.014 50 0 JIAARN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)C1 ZINC000040355775 569824036 /nfs/dbraw/zinc/82/40/36/569824036.db2.gz QLAGXSPLMPMXSB-CYBMUJFWSA-N 0 0 483.421 4.423 50 0 JIAARN COc1ccc([C@@H](CNS(=O)(=O)c2cccc3nsnc32)c2c[nH]c3ccccc32)cc1OC ZINC000040454420 569829393 /nfs/dbraw/zinc/82/93/93/569829393.db2.gz DXLFMQGAMITZOP-QGZVFWFLSA-N 0 0 494.598 4.300 50 0 JIAARN Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000040478486 569829766 /nfs/dbraw/zinc/82/97/66/569829766.db2.gz CJIPWRHMNJYEIF-UHFFFAOYSA-N 0 0 467.447 4.177 50 0 JIAARN COc1cc(NC(=O)C[C@H]2SC3=NCN(c4ccc(Cl)cc4)CN3C2=O)ccc1Cl ZINC000040484376 569829780 /nfs/dbraw/zinc/82/97/80/569829780.db2.gz SHTNAIAQAGIONM-QGZVFWFLSA-N 0 0 465.362 4.066 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2n2c1nc(-c1cccnc1)cc2=O ZINC000040484851 569829901 /nfs/dbraw/zinc/82/99/01/569829901.db2.gz SNSPURODVKQJBO-UHFFFAOYSA-N 0 0 459.893 4.012 50 0 JIAARN CCOC(=O)C1C(Nc2ccccc2)=C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1 ZINC000102989877 569830656 /nfs/dbraw/zinc/83/06/56/569830656.db2.gz NMJGHYGTJFWWDM-HNVPCBRESA-N 0 0 453.535 4.042 50 0 JIAARN CC1=C(C(=O)N(C)C)[C@@H](c2ccc(Cl)cc2)N2C(CC(=O)NCc3ccco3)=CSC2=N1 ZINC000103168428 569833623 /nfs/dbraw/zinc/83/36/23/569833623.db2.gz IKEGUEVMMYZAJZ-OAQYLSRUSA-N 0 0 470.982 4.303 50 0 JIAARN COc1ccccc1-c1nnc2c3ccccc3nc(N3CCN(C(=O)c4ccccc4F)CC3)n21 ZINC000103231035 569834006 /nfs/dbraw/zinc/83/40/06/569834006.db2.gz JDXHLJWUBWKUSW-UHFFFAOYSA-N 0 0 482.519 4.055 50 0 JIAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2ccc(S(=O)(=O)N(C)C3CCCCC3)cn2)[C@H]1C ZINC000103302195 569834538 /nfs/dbraw/zinc/83/45/38/569834538.db2.gz RONZWOOUYHPYMP-FUHIMQAGSA-N 0 0 453.674 4.068 50 0 JIAARN Cc1cc2nc(COC(=O)c3ccc(Cl)c(NC(=O)c4ccccc4C)c3)cc(=O)n2o1 ZINC000041077248 569835373 /nfs/dbraw/zinc/83/53/73/569835373.db2.gz GOCJFXQAZDRDEI-UHFFFAOYSA-N 0 0 451.866 4.167 50 0 JIAARN Cc1ccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5cccc(Cl)c5)CC4)cc3=O)s2)cc1 ZINC000041077527 569835563 /nfs/dbraw/zinc/83/55/63/569835563.db2.gz SNKXBPSSJGZSGM-UHFFFAOYSA-N 0 0 495.008 4.130 50 0 JIAARN Oc1c2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2c(O)n1-c1ccc(F)cc1 ZINC000103535735 569836008 /nfs/dbraw/zinc/83/60/08/569836008.db2.gz CDVYKAWKMMLYKS-TZIWHRDSSA-N 0 0 464.294 4.371 50 0 JIAARN CCOC(=O)C(=Cc1ccc(F)c(F)c1)C1=CSc2nnc(-c3ccc(OC)cc3)n2N1 ZINC000103550688 569836130 /nfs/dbraw/zinc/83/61/30/569836130.db2.gz AWSBIMAJXDNISP-YBEGLDIGSA-N 0 0 456.474 4.188 50 0 JIAARN COc1ccc(Br)cc1CN1C(=O)CC[C@]1(C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000103888872 569838871 /nfs/dbraw/zinc/83/88/71/569838871.db2.gz ZWKJSICRCHJWHK-OSAHHLOMSA-N 0 0 451.405 4.280 50 0 JIAARN COc1cc(NC(=O)c2ccco2)c(C(=O)[C@@H](C(=O)c2ccccc2)c2nccn2C)cc1OC ZINC000103615006 569836694 /nfs/dbraw/zinc/83/66/94/569836694.db2.gz NLPGITMESBPZTE-JOCHJYFZSA-N 0 0 473.485 4.132 50 0 JIAARN CCc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)cc1 ZINC000041086137 569837072 /nfs/dbraw/zinc/83/70/72/569837072.db2.gz IEUKCRRKSPPPBR-UHFFFAOYSA-N 0 0 452.565 4.353 50 0 JIAARN CC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000043746598 569838245 /nfs/dbraw/zinc/83/82/45/569838245.db2.gz PVGIVJHMYWKRAE-KFYFGDLISA-N 0 0 486.616 4.083 50 0 JIAARN CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000043732557 569838254 /nfs/dbraw/zinc/83/82/54/569838254.db2.gz JDQUUBOBQDSXGV-JLGINSKQSA-N 0 0 480.337 4.359 50 0 JIAARN Cc1ccc(Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCc4cccs4)cc3)c2=O)cc1 ZINC000045900062 569840058 /nfs/dbraw/zinc/84/00/58/569840058.db2.gz WRZAKFWTSQFXPI-UHFFFAOYSA-N 0 0 495.604 4.430 50 0 JIAARN Cc1cc(Br)ccc1S(=O)(=O)Nc1c(=O)oc2ccccc2c1N1CCCC1 ZINC000045961871 569841039 /nfs/dbraw/zinc/84/10/39/569841039.db2.gz GDUPBTSHLCMAIG-UHFFFAOYSA-N 0 0 463.353 4.265 50 0 JIAARN COc1cccc2c1Oc1c(c(=O)n(-c3ccccc3)n1CC(=O)Nc1cc(F)ccc1F)C2 ZINC000045994566 569841800 /nfs/dbraw/zinc/84/18/00/569841800.db2.gz AHEIMNHXQKRQOB-UHFFFAOYSA-N 0 0 463.440 4.261 50 0 JIAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccc(C)c(C)c3)cn(CC(=O)Nc3ccc(F)cc3F)c2n1 ZINC000045995024 569842139 /nfs/dbraw/zinc/84/21/39/569842139.db2.gz XPYDREOOPZAOAM-UHFFFAOYSA-N 0 0 497.523 4.071 50 0 JIAARN Cc1ccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5ccccc5Cl)CC4)cc3=O)s2)cc1 ZINC000046031980 569842781 /nfs/dbraw/zinc/84/27/81/569842781.db2.gz QGRVGKMOEVABME-UHFFFAOYSA-N 0 0 495.008 4.130 50 0 JIAARN COC(=O)c1ccccc1NC(=O)N1CCCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000046046803 569843134 /nfs/dbraw/zinc/84/31/34/569843134.db2.gz RMVHGXVMJYVYEF-UHFFFAOYSA-N 0 0 461.497 4.157 50 0 JIAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2Cl)CC(=O)N3)c1 ZINC000046074790 569843402 /nfs/dbraw/zinc/84/34/02/569843402.db2.gz KWBGYBKDCBNYJM-AWEZNQCLSA-N 0 0 454.939 4.089 50 0 JIAARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cccc(Cl)c1C)CC(=O)N2 ZINC000046074732 569843471 /nfs/dbraw/zinc/84/34/71/569843471.db2.gz WIBLJXUWVJQMOV-OAHLLOKOSA-N 0 0 468.966 4.397 50 0 JIAARN Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[nH]c(=O)c21 ZINC000046075014 569843708 /nfs/dbraw/zinc/84/37/08/569843708.db2.gz JMZDHJSUGYYUDW-AWEZNQCLSA-N 0 0 454.939 4.089 50 0 JIAARN CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[nH]c(=O)c32)cc1 ZINC000046075124 569843988 /nfs/dbraw/zinc/84/39/88/569843988.db2.gz XHUHLHUMCUERMD-KRWDZBQOSA-N 0 0 468.966 4.343 50 0 JIAARN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)cc1Cl ZINC000046075305 569844100 /nfs/dbraw/zinc/84/41/00/569844100.db2.gz VAGLAWFRXGHBRJ-AWEZNQCLSA-N 0 0 472.929 4.228 50 0 JIAARN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[nH]c(=O)c32)c(C)c1 ZINC000046075556 569844485 /nfs/dbraw/zinc/84/44/85/569844485.db2.gz QEWOMIPDESYUSR-INIZCTEOSA-N 0 0 468.966 4.397 50 0 JIAARN CC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1=O ZINC000046079201 569844648 /nfs/dbraw/zinc/84/46/48/569844648.db2.gz XMWNTPHOVGVAKY-UHFFFAOYSA-N 0 0 478.858 4.488 50 0 JIAARN COc1ccc(-n2c(CN3CCN(C(=O)Nc4cc(C)ccc4OC)CC3)nc3cccnc32)cc1 ZINC000047147431 569845224 /nfs/dbraw/zinc/84/52/24/569845224.db2.gz IPGGTNGWAHTWOU-UHFFFAOYSA-N 0 0 486.576 4.096 50 0 JIAARN COc1ccc(C)cc1NC(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(C)cc2)CC1 ZINC000047147687 569845301 /nfs/dbraw/zinc/84/53/01/569845301.db2.gz FPFOJZZHOUTHNR-UHFFFAOYSA-N 0 0 470.577 4.396 50 0 JIAARN Cc1ccc(CNC(=O)N2CCN(Cc3nc4cccnc4n3-c3ccc(C)cc3)CC2)cc1 ZINC000047147683 569845322 /nfs/dbraw/zinc/84/53/22/569845322.db2.gz ZSHYSTUINSSRBM-UHFFFAOYSA-N 0 0 454.578 4.065 50 0 JIAARN CCOc1ccc(-n2c(CN3CCN(C(=O)Nc4ccc(C)cc4)CC3)nc3cccnc32)cc1 ZINC000047147513 569845326 /nfs/dbraw/zinc/84/53/26/569845326.db2.gz KWCNARGODJVNMW-UHFFFAOYSA-N 0 0 470.577 4.477 50 0 JIAARN O=C(NCc1cccnc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@H]12 ZINC000104920049 569847197 /nfs/dbraw/zinc/84/71/97/569847197.db2.gz KBXHNWQQKMHFMX-HYBUGGRVSA-N 0 0 484.497 4.423 50 0 JIAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccccc3Cl)C[C@H](O)COCC(C)C)C2)cc1 ZINC000104982466 569847790 /nfs/dbraw/zinc/84/77/90/569847790.db2.gz PNNNBHLZMCUODT-JTHBVZDNSA-N 0 0 461.002 4.377 50 0 JIAARN COc1ccc(CC(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccccc4)c3)cc2)cc1OC ZINC000049422246 569847870 /nfs/dbraw/zinc/84/78/70/569847870.db2.gz NIVNLIAABDEWJH-UHFFFAOYSA-N 0 0 470.529 4.382 50 0 JIAARN O[C@H](COc1ccccc1)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983747 569848313 /nfs/dbraw/zinc/84/83/13/569848313.db2.gz KNSXJQQFPXPRDE-UKILVPOCSA-N 0 0 452.501 4.400 50 0 JIAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2F)C[C@@H](O)COCc2ccco2)C1 ZINC000104984351 569848531 /nfs/dbraw/zinc/84/85/31/569848531.db2.gz YMFAHAUKFNJRMO-FYYLOGMGSA-N 0 0 470.516 4.439 50 0 JIAARN O[C@H](COc1ccccc1)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104985339 569848656 /nfs/dbraw/zinc/84/86/56/569848656.db2.gz LLCHXWAXCCFIAI-UKILVPOCSA-N 0 0 452.501 4.400 50 0 JIAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc(C)cc2C)C[C@@H]1c1cccc(OC)c1 ZINC000105009200 569850505 /nfs/dbraw/zinc/85/05/05/569850505.db2.gz CCEQFBHMEOWOHJ-IZZNHLLZSA-N 0 0 477.605 4.407 50 0 JIAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105012103 569851211 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XSVSOJDTLGGTEC-UHFFFAOYSA-N 0 0 471.546 4.335 50 0 JIAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2cccnc2)cc1 ZINC000001087520 194021593 /nfs/dbraw/zinc/02/15/93/194021593.db2.gz XYIBTRRXALYDCF-OAQYLSRUSA-N 0 0 480.977 4.275 50 0 JIAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000001088884 194021762 /nfs/dbraw/zinc/02/17/62/194021762.db2.gz POPYAJIIEIWEKD-UHFFFAOYSA-N 0 0 489.553 4.286 50 0 JIAARN CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H](C1=O)C1(C(C)=O)c3ccccc3C2c2ccccc21 ZINC000001092938 194022335 /nfs/dbraw/zinc/02/23/35/194022335.db2.gz QRNZHCDBTOWXDC-OGKDHEGQSA-N 0 0 479.532 4.428 50 0 JIAARN CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H](C1=O)C1(C(C)=O)c3ccccc3C2c2ccccc21 ZINC000001092939 194022422 /nfs/dbraw/zinc/02/24/22/194022422.db2.gz QRNZHCDBTOWXDC-OVSCLSOGSA-N 0 0 479.532 4.428 50 0 JIAARN CCOC(=O)c1sc(NC(=O)COc2cccc(C(F)(F)F)c2)c(C(=O)OCC)c1C ZINC000001102619 194024450 /nfs/dbraw/zinc/02/44/50/194024450.db2.gz FBEKHADUNNOMKY-UHFFFAOYSA-N 0 0 459.442 4.446 50 0 JIAARN COC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F ZINC000001102648 194024570 /nfs/dbraw/zinc/02/45/70/194024570.db2.gz CVCLUROFBXARNB-UHFFFAOYSA-N 0 0 458.449 4.303 50 0 JIAARN COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)COc2ccc(Cl)cc2)cc1 ZINC000001105868 194025486 /nfs/dbraw/zinc/02/54/86/194025486.db2.gz GFTOOLCZZIMZMQ-JOCHJYFZSA-N 0 0 479.920 4.110 50 0 JIAARN CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3S[C@@H](C)C(=O)N32)ccc1OC(C)=O ZINC000001108437 194026346 /nfs/dbraw/zinc/02/63/46/194026346.db2.gz YYRBAEUBSFLDSP-QMHKHESXSA-N 0 0 494.569 4.403 50 0 JIAARN COc1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccc(Cl)cc3)C(C)C)n2C)c1 ZINC000001108409 194026389 /nfs/dbraw/zinc/02/63/89/194026389.db2.gz MVGDSLFCWNZYNR-FQEVSTJZSA-N 0 0 488.013 4.335 50 0 JIAARN COc1cccc(C(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)C[C@@H]2c2cccs2)c1 ZINC000001077218 194018693 /nfs/dbraw/zinc/01/86/93/194018693.db2.gz YNRPZGDCJRBHGO-HXUWFJFHSA-N 0 0 455.561 4.120 50 0 JIAARN O=C(C[C@H]1C(=O)N(Cc2ccccc2)C(=S)N1Cc1cccs1)Nc1ccc(F)cc1 ZINC000001077773 194018972 /nfs/dbraw/zinc/01/89/72/194018972.db2.gz ANTMAISSEMRPIJ-FQEVSTJZSA-N 0 0 453.564 4.414 50 0 JIAARN CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccc(OC)cc1 ZINC000001111717 194028159 /nfs/dbraw/zinc/02/81/59/194028159.db2.gz RVGVDONBAZXZNK-UHFFFAOYSA-N 0 0 494.404 4.274 50 0 JIAARN COc1ccc(OC)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001112520 194028235 /nfs/dbraw/zinc/02/82/35/194028235.db2.gz CKDJWRPPUQODCO-UHFFFAOYSA-N 0 0 460.939 4.191 50 0 JIAARN O=C1CSC(=O)N1C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000001085096 194021141 /nfs/dbraw/zinc/02/11/41/194021141.db2.gz SEQMUYUBVZGXBC-GFCCVEGCSA-N 0 0 498.196 4.376 50 0 JIAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)c1 ZINC000001115486 194029642 /nfs/dbraw/zinc/02/96/42/194029642.db2.gz BJWAKUIDIYAWKE-UHFFFAOYSA-N 0 0 484.464 4.456 50 0 JIAARN O=C(NC(=S)Nc1ccc(I)cc1C(F)(F)F)c1cccs1 ZINC000001116816 194030474 /nfs/dbraw/zinc/03/04/74/194030474.db2.gz WSERWXXDBWCKBL-UHFFFAOYSA-N 0 0 456.252 4.498 50 0 JIAARN COc1ccc(OC)c(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000001122207 194034283 /nfs/dbraw/zinc/03/42/83/194034283.db2.gz INSYJNUHLITRSP-UHFFFAOYSA-N 0 0 478.929 4.330 50 0 JIAARN COC(=O)c1c2c(sc1NC(=O)COc1ccc3c4c(c(=O)oc3c1)CCC4)CCCC2 ZINC000001123256 194035020 /nfs/dbraw/zinc/03/50/20/194035020.db2.gz UNOSCVIUGNJYOJ-UHFFFAOYSA-N 0 0 453.516 4.026 50 0 JIAARN COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000001123455 194035153 /nfs/dbraw/zinc/03/51/53/194035153.db2.gz UZHPBASLPAFACK-UHFFFAOYSA-N 0 0 451.519 4.196 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000001130089 194038432 /nfs/dbraw/zinc/03/84/32/194038432.db2.gz PLKALCSOLNUNPO-INIZCTEOSA-N 0 0 459.365 4.313 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000001127014 194036643 /nfs/dbraw/zinc/03/66/43/194036643.db2.gz MZROIPAIQKFUAJ-UHFFFAOYSA-N 0 0 460.577 4.304 50 0 JIAARN COC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O ZINC000001128031 194037564 /nfs/dbraw/zinc/03/75/64/194037564.db2.gz DJNONTNATYZCAY-RQZCQDPDSA-N 0 0 465.886 4.276 50 0 JIAARN COc1ccc(Cl)cc1N1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2C1=O ZINC000001114049 194028667 /nfs/dbraw/zinc/02/86/67/194028667.db2.gz SQSXFRVUZOHDNG-UHFFFAOYSA-N 0 0 467.836 4.328 50 0 JIAARN COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1cc(OC)c(OC)cc1OC ZINC000001145178 194047017 /nfs/dbraw/zinc/04/70/17/194047017.db2.gz OWESETQYCZQFPP-UHFFFAOYSA-N 0 0 487.936 4.079 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1 ZINC000001146056 194047854 /nfs/dbraw/zinc/04/78/54/194047854.db2.gz ZETJDOWKRXZYAF-UHFFFAOYSA-N 0 0 466.968 4.259 50 0 JIAARN COc1ccccc1N(CC(=O)Nc1ccc(CSc2ccccc2)cc1)S(C)(=O)=O ZINC000001139614 194043885 /nfs/dbraw/zinc/04/38/85/194043885.db2.gz ZZVQJLDLEBUOOO-UHFFFAOYSA-N 0 0 456.589 4.392 50 0 JIAARN CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000001139624 194044005 /nfs/dbraw/zinc/04/40/05/194044005.db2.gz SWSIBJLGDDQGOR-UHFFFAOYSA-N 0 0 451.519 4.197 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2cccc(C)c2)n1C ZINC000001139666 194044183 /nfs/dbraw/zinc/04/41/83/194044183.db2.gz CMKJAEOAINXAIG-CQSZACIVSA-N 0 0 473.986 4.007 50 0 JIAARN O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1 ZINC000001141408 194044832 /nfs/dbraw/zinc/04/48/32/194044832.db2.gz VKIAPVVDYCNGNM-UHFFFAOYSA-N 0 0 492.338 4.125 50 0 JIAARN O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccncc1 ZINC000001164900 194056989 /nfs/dbraw/zinc/05/69/89/194056989.db2.gz JKZSHWDPOQYSJW-UHFFFAOYSA-N 0 0 483.899 4.266 50 0 JIAARN C[C@@H](NC(=O)CSc1nnc2c3cc(Br)ccc3n(C)c2n1)c1ccccc1 ZINC000001153595 194051868 /nfs/dbraw/zinc/05/18/68/194051868.db2.gz CJOBVMQYSGHOBO-GFCCVEGCSA-N 0 0 456.369 4.249 50 0 JIAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1Cl ZINC000001158182 194053582 /nfs/dbraw/zinc/05/35/82/194053582.db2.gz NGPDIOMQVKPIKX-UHFFFAOYSA-N 0 0 487.803 4.151 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2OC)cc1 ZINC000001161899 194055300 /nfs/dbraw/zinc/05/53/00/194055300.db2.gz DPYBCXXMMWORMF-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN O=C(COC(=O)c1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1 ZINC000001164253 194056443 /nfs/dbraw/zinc/05/64/43/194056443.db2.gz DIYCCWWGJQWBEC-UHFFFAOYSA-N 0 0 472.280 4.468 50 0 JIAARN O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1 ZINC000001171924 194060380 /nfs/dbraw/zinc/06/03/80/194060380.db2.gz WRSZGVDVDYOZOH-UHFFFAOYSA-N 0 0 496.301 4.483 50 0 JIAARN CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccccc3)cc21 ZINC000001208752 194070574 /nfs/dbraw/zinc/07/05/74/194070574.db2.gz HMAFQTVHMLMYPC-UHFFFAOYSA-N 0 0 464.499 4.349 50 0 JIAARN O=C(CN1C(=O)S[C@H](Cc2ccccc2)C1=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000001255083 194080397 /nfs/dbraw/zinc/08/03/97/194080397.db2.gz GPBFFCJMFUGZSB-GOSISDBHSA-N 0 0 455.536 4.118 50 0 JIAARN CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(C)c1)C[C@@H](C(C)C)OC3 ZINC000001260411 194080623 /nfs/dbraw/zinc/08/06/23/194080623.db2.gz UOMKVPZFYSWHHY-KRWDZBQOSA-N 0 0 498.630 4.156 50 0 JIAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@H](C(C)C)OC3 ZINC000001247465 194079594 /nfs/dbraw/zinc/07/95/94/194079594.db2.gz FQZKIBYIBOJLNI-GOSISDBHSA-N 0 0 472.632 4.453 50 0 JIAARN Cc1ccc(NC(=O)/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000001248038 194079651 /nfs/dbraw/zinc/07/96/51/194079651.db2.gz UFNWFZVVYPAQFI-YBEGLDIGSA-N 0 0 463.437 4.170 50 0 JIAARN O=C(/C=C1\SC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O)Nc1ccc(F)cc1 ZINC000001248041 194079659 /nfs/dbraw/zinc/07/96/59/194079659.db2.gz ZAKHVVLWOWOAMT-DHDCSXOGSA-N 0 0 467.400 4.001 50 0 JIAARN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccccc1Br ZINC000001209269 194070929 /nfs/dbraw/zinc/07/09/29/194070929.db2.gz HUKLLQJIOMGQDV-UHFFFAOYSA-N 0 0 463.328 4.422 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000001219172 194073668 /nfs/dbraw/zinc/07/36/68/194073668.db2.gz ZZIRMSUVHWYBFI-UHFFFAOYSA-N 0 0 466.559 4.314 50 0 JIAARN O=c1[nH]c(=O)n(Cc2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(CCc1ccccc1)N2 ZINC000001256346 194080687 /nfs/dbraw/zinc/08/06/87/194080687.db2.gz TUCQDIDEGSTSNS-UHFFFAOYSA-N 0 0 496.411 4.362 50 0 JIAARN CCOC(=O)c1c(C)nc2c3c1N=C1c4ccc(OC)cc4C(N)=C1[C@@]3(OC(C)=O)c1ccccc1-2 ZINC000001280382 194081429 /nfs/dbraw/zinc/08/14/29/194081429.db2.gz JKDCIJLTCYWMHI-NDEPHWFRSA-N 0 0 481.508 4.180 50 0 JIAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1nccs1)-c1ccccc1CC21CCCC1 ZINC000001407705 194116103 /nfs/dbraw/zinc/11/61/03/194116103.db2.gz SNDQAGXBEJACMG-UHFFFAOYSA-N 0 0 452.605 4.485 50 0 JIAARN O=S(=O)(c1ccc(NC(=S)Nc2ccccc2-c2ccccc2)cc1)N1CCOCC1 ZINC000001425385 194118914 /nfs/dbraw/zinc/11/89/14/194118914.db2.gz CXAXGMCDADWDAE-UHFFFAOYSA-N 0 0 453.589 4.183 50 0 JIAARN O=C1CCCN1c1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2F)cc1 ZINC000001441595 194121276 /nfs/dbraw/zinc/12/12/76/194121276.db2.gz HCWLKNNYASGVLP-UHFFFAOYSA-N 0 0 468.506 4.077 50 0 JIAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000001441973 194121595 /nfs/dbraw/zinc/12/15/95/194121595.db2.gz OISOIWGXTCRTSA-JOCHJYFZSA-N 0 0 487.512 4.180 50 0 JIAARN COC(=O)c1ccc([C@@H]2[C@@H](Oc3ccc(OC)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000001444323 194122285 /nfs/dbraw/zinc/12/22/85/194122285.db2.gz NJTVDSRJSONYRA-CLJLJLNGSA-N 0 0 491.540 4.073 50 0 JIAARN CCOC(=O)CSc1nnc(CSc2nc3sc(C)c(C)c3c(N)n2)n1-c1ccccc1 ZINC000001802822 194143094 /nfs/dbraw/zinc/14/30/94/194143094.db2.gz WMZSRLKAOKEYIJ-UHFFFAOYSA-N 0 0 486.648 4.419 50 0 JIAARN COCCOC(=O)c1c(C)oc2cc(Br)c(OCC(=O)OCc3ccccc3)cc21 ZINC000001830731 194147949 /nfs/dbraw/zinc/14/79/49/194147949.db2.gz LHMVWAOWERAANZ-UHFFFAOYSA-N 0 0 477.307 4.429 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2OC(F)F)cc1 ZINC000002656426 194163497 /nfs/dbraw/zinc/16/34/97/194163497.db2.gz HHGPUHKHDQBZOH-UHFFFAOYSA-N 0 0 470.428 4.344 50 0 JIAARN Cc1ccccc1Cn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc3c(cc21)OCO3 ZINC000002692236 194163699 /nfs/dbraw/zinc/16/36/99/194163699.db2.gz LSCKAPMHPLJQRX-UHFFFAOYSA-N 0 0 451.475 4.059 50 0 JIAARN COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)o2)cc1 ZINC000002723498 194165127 /nfs/dbraw/zinc/16/51/27/194165127.db2.gz SZCXNOMNBFVNRN-UHFFFAOYSA-N 0 0 490.541 4.139 50 0 aggregator JIAARN C[C@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1C ZINC000002867029 194166940 /nfs/dbraw/zinc/16/69/40/194166940.db2.gz YEBIDXPWYHXGRC-NSHDSACASA-N 0 0 482.368 4.483 50 0 JIAARN COc1ccc(Cn2c(SCC(=O)Nc3cc(OC)ccc3OC)nc3ccsc3c2=O)cc1 ZINC000002908701 194168121 /nfs/dbraw/zinc/16/81/21/194168121.db2.gz RZEXYLDBSCEZQF-UHFFFAOYSA-N 0 0 497.598 4.263 50 0 JIAARN COc1cc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cccc(C)c2)cc(OC)c1 ZINC000002953891 194178712 /nfs/dbraw/zinc/17/87/12/194178712.db2.gz HGDQYBVRYDWQJR-WCTVFOPTSA-N 0 0 459.502 4.439 50 0 JIAARN COc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(F)c2)c(OC)c1 ZINC000002955133 194179295 /nfs/dbraw/zinc/17/92/95/194179295.db2.gz QITLGSREBFQFGU-FVDSYPCUSA-N 0 0 463.465 4.270 50 0 JIAARN CCOc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(Cc3cc(C)ccc3C)c2=O)cc1 ZINC000002956743 194180006 /nfs/dbraw/zinc/18/00/06/194180006.db2.gz CTIYNHZFXCCRJK-UHFFFAOYSA-N 0 0 491.613 4.288 50 0 JIAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000002959407 194181165 /nfs/dbraw/zinc/18/11/65/194181165.db2.gz BJWDCGNOHBLVIL-FGZHOGPDSA-N 0 0 479.583 4.412 50 0 JIAARN Cc1nnc2nc(SCC(=O)Nc3cccc(C)c3)n(-c3ccc(Br)cc3)c(N)c1-2 ZINC000002927056 194172015 /nfs/dbraw/zinc/17/20/15/194172015.db2.gz BXJDIHAGJDEGNF-UHFFFAOYSA-N 0 0 483.395 4.338 50 0 JIAARN CCN(CCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc21)c1ccccc1 ZINC000002943979 194175742 /nfs/dbraw/zinc/17/57/42/194175742.db2.gz YKEAUQUDSILEJJ-UHFFFAOYSA-N 0 0 486.572 4.049 50 0 JIAARN COc1cc(Nc2nc(SCC(=O)NCc3ccco3)nc3ccccc32)cc(OC)c1OC ZINC000002948881 194176871 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COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3ccccc3)CC1)[C@H](c1cccs1)N(C)C2=O ZINC000004760061 194395284 /nfs/dbraw/zinc/39/52/84/194395284.db2.gz RLQJCXYPGOSQJQ-RPBOFIJWSA-N 0 0 491.613 4.025 50 0 JIAARN Cc1sc2nc3c(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cccn3c(=O)c2c1C ZINC000004767604 194398251 /nfs/dbraw/zinc/39/82/51/194398251.db2.gz DCUNBNHIJPMKPF-UHFFFAOYSA-N 0 0 452.967 4.142 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1cccc(C)c1)n2CC ZINC000006153651 194415917 /nfs/dbraw/zinc/41/59/17/194415917.db2.gz VMMFNHCSUJIBLM-UHFFFAOYSA-N 0 0 460.625 4.126 50 0 JIAARN Cc1cc(NC(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2-c2ccccc2C)no1 ZINC000006530950 194430186 /nfs/dbraw/zinc/43/01/86/194430186.db2.gz AIJXENIASDJLKH-UHFFFAOYSA-N 0 0 492.586 4.028 50 0 JIAARN Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2cccc(C(F)(F)F)c2)s1 ZINC000006549849 194430844 /nfs/dbraw/zinc/43/08/44/194430844.db2.gz AAMKTOXFXJBWPT-UHFFFAOYSA-N 0 0 493.540 4.106 50 0 JIAARN C[C@@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)NC(=O)COc1ccc(C(C)(C)C)cc1 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CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc3ccccc3oc2=O)c1 ZINC000012783117 195125715 /nfs/dbraw/zinc/12/57/15/195125715.db2.gz PKFCLGVIGCRIFI-UHFFFAOYSA-N 0 0 478.526 4.269 50 0 JIAARN COc1ccc(Br)cc1S(=O)(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000012783263 195125773 /nfs/dbraw/zinc/12/57/73/195125773.db2.gz VKWVWSZBTZQBFX-HXUWFJFHSA-N 0 0 470.385 4.295 50 0 JIAARN COc1ccc(Br)cc1S(=O)(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000012783259 195125788 /nfs/dbraw/zinc/12/57/88/195125788.db2.gz VKWVWSZBTZQBFX-FQEVSTJZSA-N 0 0 470.385 4.295 50 0 JIAARN Cc1cccc(NC(=O)CN2CCN(C(=O)/C=C/c3cc(Br)ccc3F)CC2)c1C ZINC000012783143 195125807 /nfs/dbraw/zinc/12/58/07/195125807.db2.gz UFJXTIMVWQILFL-RMKNXTFCSA-N 0 0 474.374 4.001 50 0 JIAARN COCCn1c(S[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)nc2sc(C)c(C)c2c1=O ZINC000012784317 195126404 /nfs/dbraw/zinc/12/64/04/195126404.db2.gz AVRWABKLCPYPKB-VQIMIIECSA-N 0 0 471.648 4.396 50 0 JIAARN C[C@H](Sc1nnc(CN2CCCC2=O)n1-c1ccccn1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000012784428 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O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000012798420 195137965 /nfs/dbraw/zinc/13/79/65/195137965.db2.gz VHJGTAZJXRAWSI-UHFFFAOYSA-N 0 0 466.893 4.025 50 0 JIAARN O=C(CN1CCN(c2nc(/C=C/c3ccccc3)nc3sc4c(c32)CCCC4)CC1)N1CCCC1 ZINC000012800356 195138876 /nfs/dbraw/zinc/13/88/76/195138876.db2.gz LIWUBKDYQAVAEA-OUKQBFOZSA-N 0 0 487.673 4.485 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)cc1 ZINC000012807434 195142493 /nfs/dbraw/zinc/14/24/93/195142493.db2.gz VQTHJDCEDADUEC-XMMPIXPASA-N 0 0 473.639 4.077 50 0 JIAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000012807713 195142584 /nfs/dbraw/zinc/14/25/84/195142584.db2.gz CYDOAPLJAYOIMG-UHFFFAOYSA-N 0 0 494.665 4.005 50 0 JIAARN C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)c1nc2ccccc2s1 ZINC000012810098 195143737 /nfs/dbraw/zinc/14/37/37/195143737.db2.gz BRBNUNZHCWDYJS-AWEZNQCLSA-N 0 0 488.616 4.221 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccccc1C(F)(F)F ZINC000012809833 195143763 /nfs/dbraw/zinc/14/37/63/195143763.db2.gz MNSKKUMQIYOCIN-UHFFFAOYSA-N 0 0 486.512 4.296 50 0 JIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000012816402 195147070 /nfs/dbraw/zinc/14/70/70/195147070.db2.gz RKYBNSQDZKULFW-UHFFFAOYSA-N 0 0 458.561 4.094 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(NC(=O)c2cnccn2)c1 ZINC000012816393 195147105 /nfs/dbraw/zinc/14/71/05/195147105.db2.gz ANUYGHWDSOJIKI-UHFFFAOYSA-N 0 0 460.943 4.205 50 0 JIAARN O=C(C=Cc1c(Cl)nc2ccccn21)Nn1cnc2scc(-c3cccs3)c2c1=O ZINC000012816771 195147250 /nfs/dbraw/zinc/14/72/50/195147250.db2.gz XJDAVXFFJDTQRX-VOTSOKGWSA-N 0 0 453.936 4.271 50 0 JIAARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000012819504 195148719 /nfs/dbraw/zinc/14/87/19/195148719.db2.gz WGBOXIUEVIXKTB-OAQYLSRUSA-N 0 0 480.030 4.155 50 0 JIAARN CCc1nn2c(nc(CSc3nnc(-c4cccnc4)n3[C@H]3CCCC[C@H]3C)cc2=O)s1 ZINC000012821932 195149853 /nfs/dbraw/zinc/14/98/53/195149853.db2.gz PIYMPOBUMUKDQM-PBHICJAKSA-N 0 0 467.624 4.410 50 0 JIAARN CCOc1cc2c(cc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(C)cc1)O[C@@H](C)C2 ZINC000012824349 195150503 /nfs/dbraw/zinc/15/05/03/195150503.db2.gz YBNKJBXNVQGILO-SFHVURJKSA-N 0 0 484.574 4.140 50 0 JIAARN CS(=O)(=O)c1ccc(C(=O)NCCCCOc2ccc(OCc3ccccc3)cc2)cc1 ZINC000012825067 195150836 /nfs/dbraw/zinc/15/08/36/195150836.db2.gz LIMSBRKOEKARLY-UHFFFAOYSA-N 0 0 453.560 4.258 50 0 JIAARN CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)Cc3csc(-c4ccc(C)cc4C)n3)ccc21 ZINC000012845670 195152126 /nfs/dbraw/zinc/15/21/26/195152126.db2.gz UNXSCVAJAUJLEF-UHFFFAOYSA-N 0 0 498.626 4.108 50 0 JIAARN COc1ccc(CNC(=O)c2cnn3c2N[C@H](c2ccccc2OC)C[C@H]3C(F)(F)F)cc1 ZINC000012849293 195153726 /nfs/dbraw/zinc/15/37/26/195153726.db2.gz HQOMIMZMWASFSP-ICSRJNTNSA-N 0 0 460.456 4.491 50 0 JIAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000012849920 195154108 /nfs/dbraw/zinc/15/41/08/195154108.db2.gz JFMHXNQUDYULMA-NRFANRHFSA-N 0 0 454.983 4.321 50 0 JIAARN CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)CC(=O)Nc1ccccc1Cl ZINC000012855550 195157394 /nfs/dbraw/zinc/15/73/94/195157394.db2.gz ZYQIFRXZUGODBA-UHFFFAOYSA-N 0 0 453.974 4.332 50 0 JIAARN COC(=O)c1c(COC(=O)CNC(=O)C2CCCCC2)nc2ccccc2c1-c1ccccc1 ZINC000012856279 195157840 /nfs/dbraw/zinc/15/78/40/195157840.db2.gz WFHMCBBGCQXQCM-UHFFFAOYSA-N 0 0 460.530 4.428 50 0 JIAARN COCCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)nnc1-c1ccccc1 ZINC000012858789 195158840 /nfs/dbraw/zinc/15/88/40/195158840.db2.gz GLYIVTNQMSJHFT-UHFFFAOYSA-N 0 0 486.619 4.049 50 0 JIAARN Cc1cc2occ(CC(=O)N(CCC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)c2cc1C ZINC000012859560 195158953 /nfs/dbraw/zinc/15/89/53/195158953.db2.gz KXAGRVUGICGUNX-UHFFFAOYSA-N 0 0 488.588 4.152 50 0 JIAARN COc1cc2c(c(OC)c1OC)-c1ccc(N3CCC[C@@H](C)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000012861719 195159524 /nfs/dbraw/zinc/15/95/24/195159524.db2.gz GUNJNHSMDNDQTQ-IERDGZPVSA-N 0 0 466.578 4.099 50 0 biogenic JIAARN CCOc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1S(=O)(=O)N(CC)CC ZINC000012866199 195161467 /nfs/dbraw/zinc/16/14/67/195161467.db2.gz DVYRPAVCXCDZLL-UHFFFAOYSA-N 0 0 479.649 4.456 50 0 JIAARN COc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)cc1S(=O)(=O)N(C)C ZINC000012867666 195162116 /nfs/dbraw/zinc/16/21/16/195162116.db2.gz LCYGPPSQOZYTLQ-UHFFFAOYSA-N 0 0 450.988 4.440 50 0 JIAARN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012870519 195163045 /nfs/dbraw/zinc/16/30/45/195163045.db2.gz MHUGTIRYQHRRJG-QFIPXVFZSA-N 0 0 476.570 4.333 50 0 JIAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2ccccc2I)c1 ZINC000012871101 195163676 /nfs/dbraw/zinc/16/36/76/195163676.db2.gz DFRNUGAAWBRCGX-SFHVURJKSA-N 0 0 466.319 4.084 50 0 JIAARN CCCN1CC(=O)N2C[C@H](c3cccc(OC)c3OCC)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012874245 195165087 /nfs/dbraw/zinc/16/50/87/195165087.db2.gz WGZNBYLHSDTHGL-WINIVTDRSA-N 0 0 461.562 4.017 50 0 biogenic JIAARN CCCCN1CC(=O)N2C[C@@H](c3cccc(OC)c3OCC)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012874443 195165119 /nfs/dbraw/zinc/16/51/19/195165119.db2.gz LTJVWCZRCQAUIJ-MMTVBGGISA-N 0 0 475.589 4.407 50 0 biogenic JIAARN O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)c1ccc2c(c1)OCCO2 ZINC000012875598 195165911 /nfs/dbraw/zinc/16/59/11/195165911.db2.gz UNLIGHHDSCJYFL-UHFFFAOYSA-N 0 0 488.569 4.006 50 0 JIAARN COc1ccccc1[C@H]1CN2C(=O)CN(Cc3ccccc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012876906 195166704 /nfs/dbraw/zinc/16/67/04/195166704.db2.gz BACYEXQMORHDNZ-MNNSJKJDSA-N 0 0 465.553 4.408 50 0 biogenic JIAARN Cc1nc2sc(C(=O)OCC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)c(N)c2c(C)n1 ZINC000012879988 195167845 /nfs/dbraw/zinc/16/78/45/195167845.db2.gz IICUPNVBZWJYSP-AWEZNQCLSA-N 0 0 481.603 4.063 50 0 JIAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(Cl)cc1Cl ZINC000012887946 195171318 /nfs/dbraw/zinc/17/13/18/195171318.db2.gz SCEKGASMHKGKCN-AWEZNQCLSA-N 0 0 499.416 4.043 50 0 JIAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(Cl)cc1Cl ZINC000012887939 195171467 /nfs/dbraw/zinc/17/14/67/195171467.db2.gz SCEKGASMHKGKCN-CQSZACIVSA-N 0 0 499.416 4.043 50 0 JIAARN O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1cccc(N2CCCS2(=O)=O)c1 ZINC000012889696 195172210 /nfs/dbraw/zinc/17/22/10/195172210.db2.gz HJRNBYBALTUGIM-RUZDIDTESA-N 0 0 483.517 4.330 50 0 JIAARN COc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)cc2)cc1 ZINC000012891487 195173056 /nfs/dbraw/zinc/17/30/56/195173056.db2.gz IJNSLUJBLDJTCG-GOSISDBHSA-N 0 0 463.559 4.500 50 0 JIAARN COc1cc(NC(=O)[C@H](C)NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc(OC)c1OC ZINC000012900992 195177229 /nfs/dbraw/zinc/17/72/29/195177229.db2.gz JZSSQKATONQTIK-HNNXBMFYSA-N 0 0 475.501 4.278 50 0 biogenic JIAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000012897728 195176107 /nfs/dbraw/zinc/17/61/07/195176107.db2.gz BLNNVFZLFFZBQQ-BZNIZROVSA-N 0 0 482.389 4.203 50 0 JIAARN COc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4ccc(Br)c(C)c4)CC3=O)c2c1 ZINC000012863297 195160217 /nfs/dbraw/zinc/16/02/17/195160217.db2.gz DQSWFLROVCFCAE-INIZCTEOSA-N 0 0 470.367 4.277 50 0 JIAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4ccc5c(c4)OCO5)c(C)c13)CCC(C)(C)O2 ZINC000012902090 195177878 /nfs/dbraw/zinc/17/78/78/195177878.db2.gz DZISGPNORJZGES-UHFFFAOYSA-N 0 0 451.475 4.124 50 0 biogenic JIAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000012902949 195178269 /nfs/dbraw/zinc/17/82/69/195178269.db2.gz JBSIJYNPKGGXLN-UHFFFAOYSA-N 0 0 471.966 4.126 50 0 JIAARN C[C@H]1Oc2ccc(NC(=O)Cc3csc(-c4cccc(Br)c4)n3)cc2NC1=O ZINC000012904441 195178847 /nfs/dbraw/zinc/17/88/47/195178847.db2.gz NAOHFTILYGMZFT-LLVKDONJSA-N 0 0 458.337 4.473 50 0 JIAARN Cc1sc2ncnc(N3CCC(C(=O)N(C)CC(=O)Nc4cc(C)ccc4C)CC3)c2c1C ZINC000012905949 195179628 /nfs/dbraw/zinc/17/96/28/195179628.db2.gz WRCFQFPVEYAKSJ-UHFFFAOYSA-N 0 0 465.623 4.238 50 0 JIAARN CC[C@@H](C(=O)Nc1nn(Cc2cnn(CC)c2)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607644 195181805 /nfs/dbraw/zinc/18/18/05/195181805.db2.gz XVYCTRCLUNVMSV-HNNXBMFYSA-N 0 0 469.899 4.095 50 0 JIAARN Cc1cccc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(c3ccccc3F)CC2)c1 ZINC000020614622 195186964 /nfs/dbraw/zinc/18/69/64/195186964.db2.gz GOCFMEBTZLSFAL-XMMPIXPASA-N 0 0 461.537 4.156 50 0 JIAARN CCc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000020617224 195188969 /nfs/dbraw/zinc/18/89/69/195188969.db2.gz HKEJPCSYTOURQQ-BXVZCJGGSA-N 0 0 471.513 4.462 50 0 JIAARN COc1ccc2nc(NC(=O)c3cn(C)nc3C(=O)Nc3nc4ccc(OC)cc4s3)sc2c1 ZINC000020617158 195189010 /nfs/dbraw/zinc/18/90/10/195189010.db2.gz MAZDHQUBEZGCIF-UHFFFAOYSA-N 0 0 494.558 4.161 50 0 JIAARN Cc1[nH]nc(-c2ccc(OCCN3CCOCC3)cc2O)c1-c1ccc(Br)cc1 ZINC000020621833 195190297 /nfs/dbraw/zinc/19/02/97/195190297.db2.gz KHINFAADKCFNPX-UHFFFAOYSA-N 0 0 458.356 4.231 50 0 JIAARN CCCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1OC ZINC000020679479 195203355 /nfs/dbraw/zinc/20/33/55/195203355.db2.gz IHQLBMOFYDOMQP-MHZLTWQESA-N 0 0 494.588 4.458 50 0 JIAARN O=C(C1=C(c2ccccc2)SCCO1)N(Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000020720351 195206454 /nfs/dbraw/zinc/20/64/54/195206454.db2.gz ANWBYDCHSHBVEQ-JOCHJYFZSA-N 0 0 479.623 4.488 50 0 JIAARN COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000020726103 195207269 /nfs/dbraw/zinc/20/72/69/195207269.db2.gz PCZUUFFDLCDXOZ-LJQANCHMSA-N 0 0 460.412 4.275 50 0 JIAARN Cc1ccccc1CN1c2cc(C(=O)NCCN3CCOCC3)ccc2Sc2ccccc2C1=O ZINC000020726785 195207830 /nfs/dbraw/zinc/20/78/30/195207830.db2.gz CJGUPNIPDNWTDG-UHFFFAOYSA-N 0 0 487.625 4.369 50 0 JIAARN CCCCOc1ccc([C@H](C)NC(=O)CCN2N=C(c3ccc(OC)cc3)CCC2=O)cc1 ZINC000020727802 195208569 /nfs/dbraw/zinc/20/85/69/195208569.db2.gz VEZPGSSWOWWSST-IBGZPJMESA-N 0 0 451.567 4.468 50 0 JIAARN C[C@H](NC(=O)CN1c2ccccc2O/C(=C/c2ccccc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000020733081 195211130 /nfs/dbraw/zinc/21/11/30/195211130.db2.gz YLDGQIYOCXQWAO-BIKZULFDSA-N 0 0 456.498 4.102 50 0 JIAARN Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)s2)c1 ZINC000020851334 195231087 /nfs/dbraw/zinc/23/10/87/195231087.db2.gz MQALISCAUHMFJJ-KRWDZBQOSA-N 0 0 479.421 4.347 50 0 JIAARN COc1cc(OC)c(NC(=O)CCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1Cl ZINC000020738043 195213869 /nfs/dbraw/zinc/21/38/69/195213869.db2.gz CQNAKGCDQMCSPA-UHFFFAOYSA-N 0 0 459.905 4.281 50 0 JIAARN COc1ccc(-n2nc(C(=O)Nc3cnc4ccccc4c3)c3ccccc3c2=O)c(OC)c1 ZINC000020768817 195223499 /nfs/dbraw/zinc/22/34/99/195223499.db2.gz VHKBHAHYVTUKRA-UHFFFAOYSA-N 0 0 452.470 4.203 50 0 JIAARN Cc1cnc(SCCN2CCOCC2)nc1[C@H]1CCCN(C(=O)CCC2CCCCC2)C1 ZINC000020782672 195224904 /nfs/dbraw/zinc/22/49/04/195224904.db2.gz PLPHCKZSMAIOOU-QFIPXVFZSA-N 0 0 460.688 4.276 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)cc1Cl ZINC000020893881 195238605 /nfs/dbraw/zinc/23/86/05/195238605.db2.gz RTNPVYQKTPFPSO-UHFFFAOYSA-N 0 0 459.955 4.087 50 0 JIAARN COc1ccc(-c2c3c(c4n2-c2ccccc2N[C@@H]4c2ccccc2F)n(C)c(=O)n(C)c3=O)cc1 ZINC000020898620 195240713 /nfs/dbraw/zinc/24/07/13/195240713.db2.gz DGCZRXDCMTYEKP-HSZRJFAPSA-N 0 0 482.515 4.358 50 0 JIAARN CCOC(=O)C[C@H]1c2cc(OCC)c(OCC)cc2CCN1S(=O)(=O)c1ccc(C)cc1 ZINC000020920569 195247661 /nfs/dbraw/zinc/24/76/61/195247661.db2.gz IXQQZLCCMHFZRJ-NRFANRHFSA-N 0 0 461.580 4.034 50 0 JIAARN CCc1cc2c(cc3c(=O)n(CC(=O)NCCCN(CC)c4cccc(C)c4)nc(CC)n23)s1 ZINC000020862685 195233983 /nfs/dbraw/zinc/23/39/83/195233983.db2.gz CEVPKTAKFNRCTC-UHFFFAOYSA-N 0 0 479.650 4.177 50 0 JIAARN COc1ccc2oc(=O)cc(CN3CCN(C(=O)CC45CC6CC(CC(C6)C4)C5)CC3)c2c1 ZINC000020869429 195235335 /nfs/dbraw/zinc/23/53/35/195235335.db2.gz WJIBAASQTUEOMX-UHFFFAOYSA-N 0 0 450.579 4.052 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2NCc2ccccn2)cc1 ZINC000020869197 195235453 /nfs/dbraw/zinc/23/54/53/195235453.db2.gz LFYABNZVRVILRW-UHFFFAOYSA-N 0 0 485.612 4.124 50 0 JIAARN CCCn1c(CN2CCN(C(=O)OCC)CC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000020893395 195238120 /nfs/dbraw/zinc/23/81/20/195238120.db2.gz FXIOOWAZFDENTG-UHFFFAOYSA-N 0 0 455.584 4.034 50 0 JIAARN CC[C@@H](C(=O)NCc1cccc(C)c1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937724 195253742 /nfs/dbraw/zinc/25/37/42/195253742.db2.gz MARVJMRAMIMASZ-QHCPKHFHSA-N 0 0 453.608 4.392 50 0 JIAARN Cc1nn(-c2ccc(Br)cc2)cc1-c1noc(C(=O)NCCCc2ccccc2)n1 ZINC000020946665 195257026 /nfs/dbraw/zinc/25/70/26/195257026.db2.gz BCXRRJKSRXDIBG-UHFFFAOYSA-N 0 0 466.339 4.356 50 0 JIAARN O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCCN(Cc2ccc(F)cc2)C1 ZINC000020978058 195258333 /nfs/dbraw/zinc/25/83/33/195258333.db2.gz SQNZWXLWYGSPOT-UHFFFAOYSA-N 0 0 475.489 4.415 50 0 JIAARN Cc1ccc(N2C(=O)CN(S(=O)(=O)c3ccccc3)C[C@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000020928657 195249939 /nfs/dbraw/zinc/24/99/39/195249939.db2.gz BSRGZAXUGSZPMR-HHHXNRCGSA-N 0 0 497.661 4.020 50 0 JIAARN COc1ccc([C@H](CC(=O)N2CCc3ccccc3C2)N2Cc3ccccc3C2=O)cc1OC ZINC000020936109 195252808 /nfs/dbraw/zinc/25/28/08/195252808.db2.gz FCNJDAJUZLUZDJ-DEOSSOPVSA-N 0 0 456.542 4.376 50 0 JIAARN COc1ccc([C@H](CC(=O)N2CCN(c3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1OC ZINC000020936090 195252831 /nfs/dbraw/zinc/25/28/31/195252831.db2.gz 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CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(N2CCOCC2)cc1 ZINC000002189083 519370913 /nfs/dbraw/zinc/37/09/13/519370913.db2.gz QETWBOAWUHICLD-MHZLTWQESA-N 0 0 470.529 4.180 50 0 JIAARN CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000036121582 519451425 /nfs/dbraw/zinc/45/14/25/519451425.db2.gz SYRPPESQRFCXRX-IRLDBZIGSA-N 0 0 474.598 4.056 50 0 JIAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H]1CCCO1 ZINC000036116969 519461562 /nfs/dbraw/zinc/46/15/62/519461562.db2.gz ANXWNTLYTWFPKA-UPVQGACJSA-N 0 0 470.635 4.404 50 0 JIAARN CC(C)Cc1nn2c(nc(COC(=O)c3ccc(NC(=O)c4cccs4)cc3)cc2=O)s1 ZINC000008607729 519465403 /nfs/dbraw/zinc/46/54/03/519465403.db2.gz ULPJFLHPAHYPNA-UHFFFAOYSA-N 0 0 468.560 4.020 50 0 JIAARN CC(=O)N(Cc1ccccc1)c1nc2ccccc2n([C@@H](C)C(=O)Nc2ccc(F)cc2)c1=O ZINC000064987715 519469762 /nfs/dbraw/zinc/46/97/62/519469762.db2.gz VOZZTYKGFWJEPF-KRWDZBQOSA-N 0 0 458.493 4.288 50 0 JIAARN 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CC(=O)Nc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccc(C)cc5)nn4ccn23)cc1 ZINC000045971341 519722540 /nfs/dbraw/zinc/72/25/40/519722540.db2.gz HXUWSRXMGNKCNN-UHFFFAOYSA-N 0 0 471.546 4.042 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013583765 519725859 /nfs/dbraw/zinc/72/58/59/519725859.db2.gz AWGPTIPACBQTMI-UHFFFAOYSA-N 0 0 463.559 4.347 50 0 JIAARN CC(C)CNC(=O)[C@@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036209892 519739584 /nfs/dbraw/zinc/73/95/84/519739584.db2.gz KJXVNNKCIRVIMO-QFIPXVFZSA-N 0 0 490.431 4.416 50 0 JIAARN CC(C)CNC(=O)c1ccc2c(c1)nc(SCc1cccc(F)c1)n(C[C@@H]1CCCO1)c2=O ZINC000033269241 519741779 /nfs/dbraw/zinc/74/17/79/519741779.db2.gz ZYBPVMGSOILAKX-FQEVSTJZSA-N 0 0 469.582 4.393 50 0 JIAARN CC(=O)Oc1ccc(Br)cc1C1=NN(C(C)=O)[C@@H](c2cccc(Br)c2)O1 ZINC000064965591 519758688 /nfs/dbraw/zinc/75/86/88/519758688.db2.gz RIJWYAVETBFTJP-GOSISDBHSA-N 0 0 482.128 4.376 50 0 JIAARN CC(C)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1cccc(Cl)c1 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CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000089942372 522433143 /nfs/dbraw/zinc/43/31/43/522433143.db2.gz LDARTXSUJBKZNX-MSOLQXFVSA-N 0 0 464.031 4.187 50 0 JIAARN COc1cc(CNC(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)cc(OC)c1OC ZINC000065063028 522434099 /nfs/dbraw/zinc/43/40/99/522434099.db2.gz AWQROAHHNMISTR-UHFFFAOYSA-N 0 0 451.504 4.421 50 0 JIAARN CC[C@@H](C)n1c(SCC(=O)NC2CCCC2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000009508502 522452701 /nfs/dbraw/zinc/45/27/01/522452701.db2.gz XMOIFJHPAXVBFX-QGZVFWFLSA-N 0 0 493.699 4.098 50 0 JIAARN CC[C@@H](C)n1cc(C(=O)NCC2(c3ccccc3)CCOCC2)c(=O)c(C(=O)N2CCCCCC2)c1 ZINC000012217322 522453583 /nfs/dbraw/zinc/45/35/83/522453583.db2.gz ITPJSIBPRRLWDC-JOCHJYFZSA-N 0 0 493.648 4.314 50 0 JIAARN CC[C@H](NC(=O)[C@H]1Cc2nc(NC(=O)Cc3ccccc3)sc2C(=O)C1)c1cccs1 ZINC000012217341 522518986 /nfs/dbraw/zinc/51/89/86/522518986.db2.gz AMCXSQOXKFJIJV-HOTGVXAUSA-N 0 0 453.589 4.398 50 0 JIAARN 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COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](c1ccsc1)N1CCc2ccccc2C1 ZINC000022767548 524249722 /nfs/dbraw/zinc/24/97/22/524249722.db2.gz BLFDMGFUMKSYMU-HXUWFJFHSA-N 0 0 463.024 4.488 50 0 JIAARN COc1ccc(Cn2c(CCC(=O)Nc3cc(OC)c(OC)c(OC)c3)nc3cccnc32)cc1 ZINC000008599525 524258456 /nfs/dbraw/zinc/25/84/56/524258456.db2.gz ZUGHMGAGHFGLDM-UHFFFAOYSA-N 0 0 476.533 4.085 50 0 JIAARN COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000014075228 524299340 /nfs/dbraw/zinc/29/93/40/524299340.db2.gz KOCLBFNRCXFVEA-UHFFFAOYSA-N 0 0 489.605 4.300 50 0 JIAARN COc1ccccc1-n1c(=O)n(Cc2nc(-c3ccc(Cl)cc3)oc2C)c(=O)c2cccnc21 ZINC000033271081 524299485 /nfs/dbraw/zinc/29/94/85/524299485.db2.gz CKZLAGSJYCZHTF-UHFFFAOYSA-N 0 0 474.904 4.221 50 0 JIAARN COc1ccccc1-n1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1N1CCCCC1 ZINC000032882490 524301458 /nfs/dbraw/zinc/30/14/58/524301458.db2.gz XOQROJOUNJSYBY-UHFFFAOYSA-N 0 0 458.613 4.070 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3ccccc3)n2)cc1C ZINC000021708273 524320739 /nfs/dbraw/zinc/32/07/39/524320739.db2.gz QQPRVZXLLIYCFB-HXUWFJFHSA-N 0 0 487.672 4.115 50 0 JIAARN COc1ccccc1C(=O)N1CCN(c2nc3ccccc3c3nnc(-c4ccccc4F)n32)C[C@H]1C ZINC000034707159 524344459 /nfs/dbraw/zinc/34/44/59/524344459.db2.gz LQHUYZDDPWSVDE-GOSISDBHSA-N 0 0 496.546 4.443 50 0 JIAARN Cc1cc(C)c2c(n1)sc1c2nc(C)n(CC(=O)Nc2cccc(Br)c2)c1=O ZINC000049004084 524350100 /nfs/dbraw/zinc/35/01/00/524350100.db2.gz BEILSDMDFUWBFY-UHFFFAOYSA-N 0 0 457.353 4.333 50 0 JIAARN Cc1cc(C)c2c(n1)sc1c2ncn(CC(=O)Nc2ccc(Br)cc2F)c1=O ZINC000012415016 524350964 /nfs/dbraw/zinc/35/09/64/524350964.db2.gz FHKFTRLFMKJBHP-UHFFFAOYSA-N 0 0 461.316 4.163 50 0 JIAARN Cc1ccc(CN(C(=O)COc2ccccc2)c2cccc(CC(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000037601145 524353583 /nfs/dbraw/zinc/35/35/83/524353583.db2.gz IHZWCSARWWSEHV-MHZLTWQESA-N 0 0 472.585 4.445 50 0 JIAARN COc1ccc(N(CC(=O)NCCSc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009762914 524360730 /nfs/dbraw/zinc/36/07/30/524360730.db2.gz LXLQLPDKDKHQOA-UHFFFAOYSA-N 0 0 484.643 4.416 50 0 JIAARN COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC ZINC000036247603 524368353 /nfs/dbraw/zinc/36/83/53/524368353.db2.gz FVIKSBGRVOYXHM-UHFFFAOYSA-N 0 0 458.511 4.197 50 0 JIAARN Cc1cc(C)cc(C(=O)Nc2cccc(-c3cn4c(C(=O)N5CCOCC5)csc4n3)c2)c1 ZINC000033299488 524369934 /nfs/dbraw/zinc/36/99/34/524369934.db2.gz XUJYERLNKJAJFC-UHFFFAOYSA-N 0 0 460.559 4.404 50 0 JIAARN COc1ccc(N2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000021854111 524397027 /nfs/dbraw/zinc/39/70/27/524397027.db2.gz JYXQXDKLMZIBFL-GDLZYMKVSA-N 0 0 496.567 4.303 50 0 JIAARN COc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NC2CCCCC2)c(OC)c1 ZINC000021851985 524397909 /nfs/dbraw/zinc/39/79/09/524397909.db2.gz YHUCXPZENDUFOC-AREMUKBSSA-N 0 0 468.598 4.066 50 0 JIAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c4ccoc4cc3C(=O)N2Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000021811558 524403937 /nfs/dbraw/zinc/40/39/37/524403937.db2.gz IPVIUTGWWBHXHQ-JEYSNKNNSA-N 0 0 477.561 4.319 50 0 JIAARN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2C(F)(F)F)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 ZINC000020436970 524408185 /nfs/dbraw/zinc/40/81/85/524408185.db2.gz GXKGXWHDXAUBAE-RTBURBONSA-N 0 0 497.564 4.036 50 0 JIAARN COc1ccccc1CCNC(=O)CCCn1c(=O)c2cccn2c2ccc(Br)cc21 ZINC000033032090 524411438 /nfs/dbraw/zinc/41/14/38/524411438.db2.gz FSABFXXFLJBYFU-UHFFFAOYSA-N 0 0 482.378 4.164 50 0 JIAARN COc1ccccc1CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036255710 524417972 /nfs/dbraw/zinc/41/79/72/524417972.db2.gz XHAQSBXTGKGGIQ-RUZDIDTESA-N 0 0 484.040 4.024 50 0 JIAARN Cc1cc(C)cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3CN2)c1 ZINC000035485292 524433807 /nfs/dbraw/zinc/43/38/07/524433807.db2.gz OYSKVILZFAAMME-SVBPBHIXSA-N 0 0 466.585 4.165 50 0 biogenic JIAARN Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2cccc3ccccc32)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000028228584 524455286 /nfs/dbraw/zinc/45/52/86/524455286.db2.gz GBCYMCFVJBVENS-NZQKXSOJSA-N 0 0 451.588 4.440 50 0 JIAARN Cc1cc(C)cc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)c1 ZINC000033273312 524457840 /nfs/dbraw/zinc/45/78/40/524457840.db2.gz PKADQHVKWHQLOQ-UHFFFAOYSA-N 0 0 474.583 4.115 50 0 JIAARN Cc1ccc(CN2CCN(C3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)C2=O)cc1 ZINC000064950676 524458935 /nfs/dbraw/zinc/45/89/35/524458935.db2.gz GYIXVFHFRDIJTP-UHFFFAOYSA-N 0 0 455.624 4.011 50 0 JIAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)CC2)cc1 ZINC000033058843 524470957 /nfs/dbraw/zinc/47/09/57/524470957.db2.gz ODMNXTKPYMHZCV-KPKJPENVSA-N 0 0 499.564 4.341 50 0 JIAARN COc1ccc(NC(=O)C2CCN(c3cc(C(=O)Nc4ccccc4F)ccn3)CC2)c(OC)c1 ZINC000033073941 524473736 /nfs/dbraw/zinc/47/37/36/524473736.db2.gz VGTOJCVOEWQTNL-UHFFFAOYSA-N 0 0 478.524 4.345 50 0 JIAARN COc1ccccc1CNC(=O)c1cccc(NC(=O)c2nnc(COc3ccccc3)s2)c1 ZINC000033027223 524483705 /nfs/dbraw/zinc/48/37/05/524483705.db2.gz YZVVBEVCYVISED-UHFFFAOYSA-N 0 0 474.542 4.308 50 0 JIAARN Cc1cccc(Cn2c(=O)c(C(=O)N(C)C3CCCCC3)nn(-c3ccc(C(C)C)cc3)c2=O)c1 ZINC000036087996 524488626 /nfs/dbraw/zinc/48/86/26/524488626.db2.gz VXKPHDNGCJKCFZ-UHFFFAOYSA-N 0 0 474.605 4.279 50 0 JIAARN COc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2cc(C)ccc2OC)c(OC)c1 ZINC000016448899 524490635 /nfs/dbraw/zinc/49/06/35/524490635.db2.gz APAPEAPUSOWQFO-UHFFFAOYSA-N 0 0 498.601 4.472 50 0 JIAARN C=C1C(N2CCC(C(=O)NCc3ccc(C)o3)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000008603350 524494936 /nfs/dbraw/zinc/49/49/36/524494936.db2.gz HAQMYRDTNVEPFA-UHFFFAOYSA-N 0 0 469.607 4.213 50 0 JIAARN Cc1ccc(CNC(=O)CN2c3ccccc3[C@@]3(SCC(=O)N3c3cc(C)cc(C)c3)C2=O)cc1 ZINC000008595459 524505691 /nfs/dbraw/zinc/50/56/91/524505691.db2.gz MJSGMMKFXOLNAN-MUUNZHRXSA-N 0 0 485.609 4.208 50 0 JIAARN COc1ccc(NC(=O)CSc2cn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c3ccccc23)cc1OC ZINC000017246678 524508380 /nfs/dbraw/zinc/50/83/80/524508380.db2.gz QVWYCFHDJWLDQX-ROUUACIJSA-N 0 0 497.617 4.025 50 0 JIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=S)N2CCc2ccccc2)cc1 ZINC000016382909 524521147 /nfs/dbraw/zinc/52/11/47/524521147.db2.gz HPDDJOKWQAZPMO-DEOSSOPVSA-N 0 0 491.588 4.404 50 0 JIAARN Cc1ccc(CNC(=O)[C@@H](C)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1 ZINC000065062402 524536538 /nfs/dbraw/zinc/53/65/38/524536538.db2.gz MSRDVGJPFKSGHX-HNNXBMFYSA-N 0 0 485.469 4.172 50 0 JIAARN Cc1cccc(N2CCN(C(=O)CCn3nc(-c4ccc(C(C)C)cc4)ccc3=O)CC2)c1C ZINC000041253371 524545480 /nfs/dbraw/zinc/54/54/80/524545480.db2.gz RMGGPIXMWUKSFF-UHFFFAOYSA-N 0 0 458.606 4.389 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3ccc(CN4C(=O)CSc5ncccc54)cc3)C[C@@H]2C)c1 ZINC000021872571 524550798 /nfs/dbraw/zinc/55/07/98/524550798.db2.gz GUDNCKYACNJNIN-FQEVSTJZSA-N 0 0 472.614 4.380 50 0 JIAARN COc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cc3)CC2)cc1OC ZINC000033258322 524550878 /nfs/dbraw/zinc/55/08/78/524550878.db2.gz YGEWGFHJCFCMLT-UHFFFAOYSA-N 0 0 451.527 4.231 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3ccccc3CSc3nc4nc(C)cc(C)n4n3)CC2)c1 ZINC000023008431 524551315 /nfs/dbraw/zinc/55/13/15/524551315.db2.gz WNEYDXHWRDAREC-UHFFFAOYSA-N 0 0 472.618 4.304 50 0 JIAARN COc1ccccc1N1CCN([C@@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000036370315 524559118 /nfs/dbraw/zinc/55/91/18/524559118.db2.gz GZNGDMJKPPWYSD-CJFMBICVSA-N 0 0 485.675 4.295 50 0 JIAARN Cc1ccc(CNC(=O)c2ccc3nnc(SCC(=O)Nc4ccc(C)c(F)c4)n3c2)cc1 ZINC000033284626 524561047 /nfs/dbraw/zinc/56/10/47/524561047.db2.gz HASRPLUBGUJHFX-UHFFFAOYSA-N 0 0 463.538 4.146 50 0 JIAARN COc1ccccc1N1CCN(c2cc(SCC(=O)Nc3cccc(Cl)c3)ncn2)CC1 ZINC000049006772 524561663 /nfs/dbraw/zinc/56/16/63/524561663.db2.gz OIYMAVRHKJROIT-UHFFFAOYSA-N 0 0 469.998 4.196 50 0 JIAARN Cc1ccc(CNC(=O)c2ccc3nnc(SCC(=O)Nc4ccc(C)cc4C)n3c2)cc1 ZINC000033284590 524561617 /nfs/dbraw/zinc/56/16/17/524561617.db2.gz FQJVDIKMOSHPLM-UHFFFAOYSA-N 0 0 459.575 4.315 50 0 JIAARN COc1ccccc1N1CCN(c2cc(SCC(=O)Nc3c(C)cc(C)cc3C)ncn2)CC1 ZINC000065133630 524562448 /nfs/dbraw/zinc/56/24/48/524562448.db2.gz MELMLIQCDCUBCW-UHFFFAOYSA-N 0 0 477.634 4.468 50 0 JIAARN Cc1cccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccccc4)cc3)CC2=O)c1C ZINC000008383566 524568099 /nfs/dbraw/zinc/56/80/99/524568099.db2.gz LEKLTGXHFPRHIE-JOCHJYFZSA-N 0 0 471.509 4.302 50 0 JIAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2C[C@H](O)COc2cccc(C)c2)CC1=O ZINC000095471845 524578521 /nfs/dbraw/zinc/57/85/21/524578521.db2.gz QJSQPFPRTIJGRH-SFTDATJTSA-N 0 0 471.557 4.314 50 0 JIAARN Cc1cccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Oc3ccccc3)CC2)c1C ZINC000022790178 524593172 /nfs/dbraw/zinc/59/31/72/524593172.db2.gz YANTUSDHSQFHBC-UHFFFAOYSA-N 0 0 472.589 4.291 50 0 JIAARN Cc1cccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N4CCCC4)ccc3n2)c1 ZINC000033087581 524601262 /nfs/dbraw/zinc/60/12/62/524601262.db2.gz TWPJXQUBSFCYJD-UHFFFAOYSA-N 0 0 455.605 4.367 50 0 JIAARN Cc1cccc(NC(=O)CSc2nccnc2N2CCN(c3ccc(F)cc3)CC2)c1C ZINC000021656949 524604836 /nfs/dbraw/zinc/60/48/36/524604836.db2.gz SSQKGDBRUWXPQV-UHFFFAOYSA-N 0 0 451.571 4.290 50 0 JIAARN COc1ccccc1NC(=O)Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(Cl)ccc21 ZINC000002691068 524606322 /nfs/dbraw/zinc/60/63/22/524606322.db2.gz VUQNBFNNNIMCBE-UHFFFAOYSA-N 0 0 482.945 4.135 50 0 JIAARN Cc1cccc(NC(=O)Cn2c3c4cccnc4sc3c(=O)n(Cc3ccc(F)cc3)c2=O)c1C ZINC000064942450 524608634 /nfs/dbraw/zinc/60/86/34/524608634.db2.gz IXKJUOOUOFKUTA-UHFFFAOYSA-N 0 0 488.544 4.216 50 0 JIAARN COc1ccc(NC(=O)c2ccc(Nc3nn4c(nc5ccccc5c4=O)s3)cc2)c(OC)c1 ZINC000033252255 524636656 /nfs/dbraw/zinc/63/66/56/524636656.db2.gz KVLHLKJJKKJVDV-UHFFFAOYSA-N 0 0 473.514 4.317 50 0 JIAARN COc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1OC ZINC000033129960 524641711 /nfs/dbraw/zinc/64/17/11/524641711.db2.gz PNEKXXFPFOSWRN-UHFFFAOYSA-N 0 0 466.559 4.408 50 0 JIAARN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)c1 ZINC000033263581 524656043 /nfs/dbraw/zinc/65/60/43/524656043.db2.gz TWIGXJNRVVOQMQ-HNNXBMFYSA-N 0 0 483.981 4.243 50 0 JIAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCCCC4)cc3)c2)C[C@H](C)O1 ZINC000012515489 524661012 /nfs/dbraw/zinc/66/10/12/524661012.db2.gz MTWQFBHXONZPDT-PMACEKPBSA-N 0 0 471.623 4.117 50 0 JIAARN C[C@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4ccco4)n32)CCN1C(=O)C1CCC1 ZINC000034700153 524674859 /nfs/dbraw/zinc/67/48/59/524674859.db2.gz NJTUMRIQGMFMMZ-AWEZNQCLSA-N 0 0 450.930 4.028 50 0 JIAARN Cc1ccc(Cc2nc3nc4c(c(N5CCN(c6ccccc6F)CC5)n3n2)CCCC4)cc1 ZINC000046022988 524695241 /nfs/dbraw/zinc/69/52/41/524695241.db2.gz DMCQUXMEIPBTOO-UHFFFAOYSA-N 0 0 456.569 4.368 50 0 JIAARN COc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)(c2ccccc2)CC1 ZINC000008755609 524702704 /nfs/dbraw/zinc/70/27/04/524702704.db2.gz JKGPRHZKQXPPQZ-UHFFFAOYSA-N 0 0 450.560 4.056 50 0 JIAARN COc1ccccc1S(=O)(=O)NCc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000009635463 524704578 /nfs/dbraw/zinc/70/45/78/524704578.db2.gz JMPHZEFJEYYRHT-UHFFFAOYSA-N 0 0 479.602 4.416 50 0 JIAARN Cc1cccc(OCC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c1 ZINC000046122619 524712230 /nfs/dbraw/zinc/71/22/30/524712230.db2.gz KNPMJFMWMZVBKB-MRXNPFEDSA-N 0 0 454.527 4.023 50 0 JIAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(C(=O)COc4ccccc4)[C@@H](C)C3)ncn2)c1 ZINC000037357377 524717436 /nfs/dbraw/zinc/71/74/36/524717436.db2.gz ZIIXZECNJREFAN-SFHVURJKSA-N 0 0 452.942 4.347 50 0 JIAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)cs2)CC1 ZINC000045961667 524734471 /nfs/dbraw/zinc/73/44/71/524734471.db2.gz ZRCLKGKMKKMRJZ-UHFFFAOYSA-N 0 0 482.071 4.093 50 0 JIAARN C[C@H](Cc1ccco1)NC(=O)c1ccc(N2CCC(C)CC2)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC000033053350 524744211 /nfs/dbraw/zinc/74/42/11/524744211.db2.gz SKEYAPFPUBUFOB-OAQYLSRUSA-N 0 0 487.666 4.298 50 0 JIAARN Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4c3cc(Cl)ccc3C)n(C)c2=O)cc1 ZINC000009519265 524763610 /nfs/dbraw/zinc/76/36/10/524763610.db2.gz OONOVCGBSMQFCL-MRXNPFEDSA-N 0 0 463.969 4.003 50 0 JIAARN Cc1cccc(OCc2nc(CN(CCN3CCOCC3)C(=O)C3CCCC3)cs2)c1C ZINC000036107141 524768009 /nfs/dbraw/zinc/76/80/09/524768009.db2.gz CTILKOHBSQTCGK-UHFFFAOYSA-N 0 0 457.640 4.190 50 0 JIAARN Cc1ccc(Cn2c3cc(C)ccc3n3nc(C(=O)Nc4ccc(C)c(F)c4)nc3c2=O)cc1 ZINC000033274304 524769469 /nfs/dbraw/zinc/76/94/69/524769469.db2.gz PCPOKKBKPHDGCE-UHFFFAOYSA-N 0 0 455.493 4.409 50 0 JIAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)Cc2csc(C)n2)C3)c1 ZINC000012278605 524792202 /nfs/dbraw/zinc/79/22/02/524792202.db2.gz RWZGVLZZYBWUAR-SFHVURJKSA-N 0 0 458.967 4.452 50 0 JIAARN COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)c1 ZINC000021779033 524811977 /nfs/dbraw/zinc/81/19/77/524811977.db2.gz MSEKRRGSOOMIHN-MHZLTWQESA-N 0 0 485.584 4.131 50 0 JIAARN COc1ccc(OC)c(CCN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)c1 ZINC000021858732 524818238 /nfs/dbraw/zinc/81/82/38/524818238.db2.gz NJBXOWITOUAERG-MUUNZHRXSA-N 0 0 477.605 4.278 50 0 JIAARN COc1ccc(OC)c(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCCC(C)C)c1 ZINC000021858790 524825542 /nfs/dbraw/zinc/82/55/42/524825542.db2.gz DDGDKDOEIFSXRK-MHZLTWQESA-N 0 0 463.578 4.236 50 0 JIAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccccc3)C2)c1 ZINC000033168870 524833602 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Cc1ccccc1Oc1nc2ccccc2n2c(=O)n(CC(=O)Nc3ccc(F)c(F)c3)nc12 ZINC000035371836 525326004 /nfs/dbraw/zinc/32/60/04/525326004.db2.gz HNZVOZPFRFDXGW-UHFFFAOYSA-N 0 0 461.428 4.062 50 0 JIAARN Cc1cc(OCC(=O)NCc2ccccc2)c(C(C)C)cc1S(=O)(=O)NCc1ccccc1 ZINC000045222121 525363383 /nfs/dbraw/zinc/36/33/83/525363383.db2.gz HYPCBWITVSKVAR-UHFFFAOYSA-N 0 0 466.603 4.292 50 0 JIAARN Cc1cc(S(=O)(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1Br ZINC000021741628 525395754 /nfs/dbraw/zinc/39/57/54/525395754.db2.gz QEKLZUKEZFQEIU-UHFFFAOYSA-N 0 0 478.334 4.072 50 0 JIAARN Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)Oc4ccccc43)cc2)cc1C ZINC000041158024 525395906 /nfs/dbraw/zinc/39/59/06/525395906.db2.gz AUGONUSUZMALBQ-LJQANCHMSA-N 0 0 466.559 4.297 50 0 JIAARN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)COC(=O)c2cnccn2)cc1 ZINC000089439045 525405290 /nfs/dbraw/zinc/40/52/90/525405290.db2.gz USYIXXXAHVKWCJ-RUZDIDTESA-N 0 0 466.497 4.173 50 0 JIAARN COc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1nnc(C)s1 ZINC000045796248 525431245 /nfs/dbraw/zinc/43/12/45/525431245.db2.gz XAMUXKBORJNUTB-UYAOXDASSA-N 0 0 466.588 4.317 50 0 JIAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)C2CC2)c(C)c1 ZINC000036119026 525432952 /nfs/dbraw/zinc/43/29/52/525432952.db2.gz JMRNYEPRXZQUDI-FYYLOGMGSA-N 0 0 482.646 4.287 50 0 JIAARN Cc1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000033320883 525437854 /nfs/dbraw/zinc/43/78/54/525437854.db2.gz LMXLSMFITFSFMJ-XZOQPEGZSA-N 0 0 455.558 4.301 50 0 JIAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)C2CC2)c(C)c1 ZINC000036119023 525441353 /nfs/dbraw/zinc/44/13/53/525441353.db2.gz JMRNYEPRXZQUDI-GMAHTHKFSA-N 0 0 482.646 4.287 50 0 JIAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccco2)C2CC2)cc1 ZINC000036119942 525441874 /nfs/dbraw/zinc/44/18/74/525441874.db2.gz QQKHCNJTZARJTH-NRFANRHFSA-N 0 0 450.560 4.459 50 0 JIAARN Cc1[nH]c2ccccc2c1CC(=O)N1CCc2c(cnc(C)c2CNC(=O)c2ccsc2)C1 ZINC000014986298 525442618 /nfs/dbraw/zinc/44/26/18/525442618.db2.gz WGUWDHQMSGBCCM-UHFFFAOYSA-N 0 0 458.587 4.299 50 0 JIAARN Cc1nc2[nH]c(NCc3cccs3)nn2c(=O)c1CCC(=O)Nc1cccc2ccccc21 ZINC000021804333 525449604 /nfs/dbraw/zinc/44/96/04/525449604.db2.gz VWVRICQJZDRTAB-UHFFFAOYSA-N 0 0 458.547 4.124 50 0 JIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)c(Br)c1 ZINC000048302975 525459933 /nfs/dbraw/zinc/45/99/33/525459933.db2.gz CTBNVBSMKBPTEN-AWEZNQCLSA-N 0 0 469.401 4.240 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)Cc2cccc(Cl)c2)cc1 ZINC000001146548 525502961 /nfs/dbraw/zinc/50/29/61/525502961.db2.gz QEUSCFXBPDXAQP-UHFFFAOYSA-N 0 0 498.048 4.188 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c2ccccc2F)cc1 ZINC000016225713 525509102 /nfs/dbraw/zinc/50/91/02/525509102.db2.gz PNTULPVZXFVTEV-UHFFFAOYSA-N 0 0 495.576 4.204 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)c2ccccc2F)cc1 ZINC000002838296 525510021 /nfs/dbraw/zinc/51/00/21/525510021.db2.gz FHENDLJEUBINDR-UHFFFAOYSA-N 0 0 497.592 4.354 50 0 JIAARN Cc1ccc(S(=O)(=O)N(Cc2ccc(Sc3ccccc3)o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000041155239 525512588 /nfs/dbraw/zinc/51/25/88/525512588.db2.gz SGOHJZVIGSAQDS-GOSISDBHSA-N 0 0 477.629 4.117 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)c(C)c1 ZINC000064931064 525533318 /nfs/dbraw/zinc/53/33/18/525533318.db2.gz BZJLFOWIDCBOTG-QGZVFWFLSA-N 0 0 460.556 4.072 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1C ZINC000064930937 525537289 /nfs/dbraw/zinc/53/72/89/525537289.db2.gz TWELNDCKRAMJSY-SFHVURJKSA-N 0 0 460.556 4.072 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)c(C)c1 ZINC000064941334 525537416 /nfs/dbraw/zinc/53/74/16/525537416.db2.gz UJHUEJFHMXUYPH-KRWDZBQOSA-N 0 0 478.546 4.211 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc(SCC(C)C)n1-c1ccccc1 ZINC000012427230 525545730 /nfs/dbraw/zinc/54/57/30/525545730.db2.gz RCRAYKLTKNOSDS-UHFFFAOYSA-N 0 0 472.636 4.012 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)Nc4ccc(F)cc4F)sc3C2)cc1 ZINC000013360538 525553800 /nfs/dbraw/zinc/55/38/00/525553800.db2.gz PQNQVQOLHPQJFV-UHFFFAOYSA-N 0 0 464.519 4.121 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(F)cc3F)Oc3ccc(C)cc32)cc1 ZINC000064985907 525555650 /nfs/dbraw/zinc/55/56/50/525555650.db2.gz MHTVXCRGQFRJJJ-QFIPXVFZSA-N 0 0 458.486 4.177 50 0 JIAARN COc1ccc2c(c1)Oc1ccccc1N=C2N1CCN(S(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000034814606 525568818 /nfs/dbraw/zinc/56/88/18/525568818.db2.gz ODKBSNUVUMSALD-GOSISDBHSA-N 0 0 463.559 4.274 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000040040455 525587312 /nfs/dbraw/zinc/58/73/12/525587312.db2.gz JEIPIJCDBYEZDU-UXHICEINSA-N 0 0 479.602 4.134 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC([NH+]4CCCCC4)CC3)c(C(=O)[O-])c2)cc1C ZINC000033253601 525607328 /nfs/dbraw/zinc/60/73/28/525607328.db2.gz XTBJYYSFJUAYTN-UHFFFAOYSA-N 0 0 471.623 4.257 50 0 JIAARN Cc1c(C(=O)NCCCN2CCOCC2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000020464778 525609047 /nfs/dbraw/zinc/60/90/47/525609047.db2.gz XMQTXAAXVRTODI-UHFFFAOYSA-N 0 0 454.567 4.252 50 0 biogenic JIAARN COc1ccc2c(c1OC)C(=O)N(c1nn(Cc3c(F)cccc3Cl)cc1Cl)C2=O ZINC000041181182 525610716 /nfs/dbraw/zinc/61/07/16/525610716.db2.gz LNVUVQXXXKXFFH-UHFFFAOYSA-N 0 0 450.253 4.195 50 0 JIAARN CC(=O)c1ccc(OC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)cc1 ZINC000102865214 534868960 /nfs/dbraw/zinc/86/89/60/534868960.db2.gz MGGJRQLYRZQVQO-XIFQGDJWSA-N 0 0 472.534 4.040 50 0 JIAARN Cc1ccc(S(=O)(=O)c2c(N)n(-c3ccc4c(c3)OCO4)c3nc4ccccc4nc32)cc1 ZINC000002425842 525629495 /nfs/dbraw/zinc/62/94/95/525629495.db2.gz KYUFRUZXQGAWRD-UHFFFAOYSA-N 0 0 458.499 4.026 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(c1ccc2c(c1)OCO2)C3=O ZINC000021856097 525644438 /nfs/dbraw/zinc/64/44/38/525644438.db2.gz SNSDMAVEZHTMEE-HHHXNRCGSA-N 0 0 475.545 4.247 50 0 JIAARN Cc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)Nc3ccc(Br)cc3)c2cc1C ZINC000033251126 525668650 /nfs/dbraw/zinc/66/86/50/525668650.db2.gz IQGYPXUEVRREHM-UHFFFAOYSA-N 0 0 454.246 4.433 50 0 JIAARN Cc1c(C(=O)OCC(=O)NCCC(c2ccccc2)c2ccccc2)sc2nc(C)[nH]c(=O)c12 ZINC000016699488 525670883 /nfs/dbraw/zinc/67/08/83/525670883.db2.gz ZVJMIADIBGYCRB-UHFFFAOYSA-N 0 0 475.570 4.097 50 0 JIAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)c3cccc(Br)c3)cc(=O)n2o1 ZINC000035448062 525673788 /nfs/dbraw/zinc/67/37/88/525673788.db2.gz CBJOTSCYWDBFOZ-UHFFFAOYSA-N 0 0 468.307 4.498 50 0 JIAARN COc1cccc(-c2ccnc(-n3ncc(C(=O)N4CCN(C/C=C/c5ccccc5)CC4)c3C)n2)c1 ZINC000014993983 525715482 /nfs/dbraw/zinc/71/54/82/525715482.db2.gz SIKQQWAOJVXUST-JXMROGBWSA-N 0 0 494.599 4.118 50 0 JIAARN COc1cccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCCC3)no2)c1OC ZINC000035460276 525720835 /nfs/dbraw/zinc/72/08/35/525720835.db2.gz RBTFHNQURIXQFY-UHFFFAOYSA-N 0 0 461.522 4.173 50 0 JIAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1C ZINC000033325702 525725168 /nfs/dbraw/zinc/72/51/68/525725168.db2.gz VUHDGGFIAMCREP-FQEVSTJZSA-N 0 0 457.983 4.110 50 0 JIAARN COc1cccc(-c2nc(COC(=O)CCN3c4ccccc4O[C@@H](C)C3=O)cs2)c1OC ZINC000016193728 525725346 /nfs/dbraw/zinc/72/53/46/525725346.db2.gz BFTWGDUTRZSSEO-HNNXBMFYSA-N 0 0 468.531 4.075 50 0 JIAARN COc1cccc(-c2nc(Cn3nnc(C(=O)Nc4ccccc4F)c3C)c(C)o2)c1OC ZINC000064967458 525727707 /nfs/dbraw/zinc/72/77/07/525727707.db2.gz FJIUJPHAWZKTOH-UHFFFAOYSA-N 0 0 451.458 4.007 50 0 JIAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000033173460 525730988 /nfs/dbraw/zinc/73/09/88/525730988.db2.gz STTFIWJJGKRFRL-UHFFFAOYSA-N 0 0 469.460 4.319 50 0 JIAARN Cc1ccc(-c2cc3c(=O)n(CCC(=O)N4CC=C(c5ccccc5)CC4)ccn3n2)cc1C ZINC000067262256 525737145 /nfs/dbraw/zinc/73/71/45/525737145.db2.gz PYRROBZOYFGXCL-UHFFFAOYSA-N 0 0 452.558 4.486 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)NCCc3cccs3)C2)c1 ZINC000033175462 525743937 /nfs/dbraw/zinc/74/39/37/525743937.db2.gz CCBPGXSUORMUEI-QGZVFWFLSA-N 0 0 494.642 4.093 50 0 JIAARN COc1cccc(-n2c(CNC(=O)Cc3ccccc3)nnc2SCCc2ccccc2)c1 ZINC000012246770 525746335 /nfs/dbraw/zinc/74/63/35/525746335.db2.gz KVAKGJNMGUSEMY-UHFFFAOYSA-N 0 0 458.587 4.470 50 0 JIAARN COc1cccc(-n2c(CN(C)Cc3ccc4c(c3)OCCO4)nnc2SCC(C)C)c1 ZINC000014994902 525746521 /nfs/dbraw/zinc/74/65/21/525746521.db2.gz ALZWXRZCNNXIMA-UHFFFAOYSA-N 0 0 454.596 4.427 50 0 JIAARN COc1cccc(-n2c3ncn([C@H](C)c4ccccc4)c3c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000034693854 525752109 /nfs/dbraw/zinc/75/21/09/525752109.db2.gz CBOGPCIVFAKHSL-LJQANCHMSA-N 0 0 452.514 4.015 50 0 JIAARN Cc1ccnn1Cc1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1CC(C)C ZINC000002794397 525776291 /nfs/dbraw/zinc/77/62/91/525776291.db2.gz SAVDIBGYOGUVKF-UHFFFAOYSA-N 0 0 481.395 4.120 50 0 JIAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000021859451 525803530 /nfs/dbraw/zinc/80/35/30/525803530.db2.gz HKKDCVNRFWZJPC-NDEPHWFRSA-N 0 0 467.525 4.101 50 0 JIAARN COc1cccc(C(=O)N2C[C@@H](c3cc(OC)ccc3OC)[C@H](C(=O)NCc3ccc(F)cc3)C2)c1 ZINC000036045541 525808450 /nfs/dbraw/zinc/80/84/50/525808450.db2.gz FYCVDERXDFVSFX-LOSJGSFVSA-N 0 0 492.547 4.024 50 0 JIAARN Cc1ccsc1C(=O)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1 ZINC000020451768 525817613 /nfs/dbraw/zinc/81/76/13/525817613.db2.gz XADPHOAXGSBIOK-UHFFFAOYSA-N 0 0 451.592 4.005 50 0 JIAARN Cc1ccc(-c2nc3cccnc3n2CCN2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000033139745 525827286 /nfs/dbraw/zinc/82/72/86/525827286.db2.gz KUWBDJTYHIITNC-UHFFFAOYSA-N 0 0 498.587 4.028 50 0 JIAARN COc1cccc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)c2csc(COc3ccccc3)n2)c1 ZINC000034905156 525830273 /nfs/dbraw/zinc/83/02/73/525830273.db2.gz AFANOSOUWJYUEW-LEWJYISDSA-N 0 0 465.575 4.202 50 0 JIAARN Cc1c(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000002096111 525835320 /nfs/dbraw/zinc/83/53/20/525835320.db2.gz DASKZVKNSQYKSV-UHFFFAOYSA-N 0 0 481.508 4.275 50 0 biogenic JIAARN Cc1ccsc1[C@@H]1Cc2c(C(=O)N3CCN(C)CC3)c(=O)cc(C)n2-c2ccccc2S1 ZINC000020452317 525885136 /nfs/dbraw/zinc/88/51/36/525885136.db2.gz CQRSOWJHYIGANZ-QFIPXVFZSA-N 0 0 465.644 4.293 50 0 JIAARN Cc1ccc(-c2nsc3c2ncn(CC(=O)Nc2ccc(Br)cc2)c3=O)cc1 ZINC000033300048 525888249 /nfs/dbraw/zinc/88/82/49/525888249.db2.gz YJHZSZGUILJXQT-UHFFFAOYSA-N 0 0 455.337 4.230 50 0 JIAARN C[C@H](OC(=O)c1cc(-c2cccs2)nc2ccccc21)C(=O)Nc1sccc1C(N)=O ZINC000016911834 525888472 /nfs/dbraw/zinc/88/84/72/525888472.db2.gz LAYMVMGFXYRTLU-LBPRGKRZSA-N 0 0 451.529 4.308 50 0 JIAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)NCc2ccc3c(c2)OCO3)cc1C ZINC000067216401 525895259 /nfs/dbraw/zinc/89/52/59/525895259.db2.gz YGECWEICQRHMTQ-UHFFFAOYSA-N 0 0 479.583 4.201 50 0 JIAARN C[C@@H](OCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1 ZINC000025967967 525901191 /nfs/dbraw/zinc/90/11/91/525901191.db2.gz YGPFUPOMEJACAU-GOSISDBHSA-N 0 0 498.567 4.390 50 0 JIAARN COc1cccc(CCNc2ncnc3sc(C(=O)N(C)Cc4nccs4)c(C)c32)c1 ZINC000014986343 525903200 /nfs/dbraw/zinc/90/32/00/525903200.db2.gz AAICTTYGWOFMGC-UHFFFAOYSA-N 0 0 453.593 4.392 50 0 JIAARN COc1cccc(CN(Cc2nc(C(=O)N3CCCCC3)co2)Cc2ccc3c(c2)OCO3)c1 ZINC000036068251 525924202 /nfs/dbraw/zinc/92/42/02/525924202.db2.gz TZKNXZGORNPNBJ-UHFFFAOYSA-N 0 0 463.534 4.240 50 0 JIAARN COc1cccc(CN2C(=O)c3c(NC(C)=O)c4ccccc4n3C[C@@]2(C)C(=O)NCCC(C)C)c1 ZINC000021866978 525928761 /nfs/dbraw/zinc/92/87/61/525928761.db2.gz KINPYFCCHYZLPC-NDEPHWFRSA-N 0 0 490.604 4.185 50 0 JIAARN Cc1ccc(-n2nc(N3CCC[C@H](C(=O)NCCSCc4ccco4)C3)ccc2=O)cc1Cl ZINC000064928755 525930836 /nfs/dbraw/zinc/93/08/36/525930836.db2.gz CXKRDVYUVSFVQR-SFHVURJKSA-N 0 0 487.025 4.053 50 0 JIAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC(C(=O)NCc3ccccc3C)CC1)nnc2C ZINC000008593953 525937735 /nfs/dbraw/zinc/93/77/35/525937735.db2.gz QKMPAQBCPAHPKO-UHFFFAOYSA-N 0 0 454.578 4.274 50 0 JIAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3cccc(F)c3)s2)C1 ZINC000046123314 525949421 /nfs/dbraw/zinc/94/94/21/525949421.db2.gz 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4.074 50 0 JIAARN O=S(=O)(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc2c(c1)OCCO2 ZINC000000660565 553739225 /nfs/dbraw/zinc/73/92/25/553739225.db2.gz HIABNOLDHUZDOJ-UHFFFAOYSA-N 0 0 496.566 4.213 50 0 JIAARN Cc1cc(CSc2ccccc2)ccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000000665717 553741853 /nfs/dbraw/zinc/74/18/53/553741853.db2.gz YWKXQBJOAYBJML-UHFFFAOYSA-N 0 0 452.557 4.071 50 0 JIAARN COc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000000667655 553743704 /nfs/dbraw/zinc/74/37/04/553743704.db2.gz PQZFIGDFMRMOJY-UHFFFAOYSA-N 0 0 452.576 4.096 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2)n1C ZINC000000669161 553744244 /nfs/dbraw/zinc/74/42/44/553744244.db2.gz UHGZAYNRRYLJAT-AWEZNQCLSA-N 0 0 488.411 4.108 50 0 JIAARN CCOC(=O)c1sc(NC(=O)c2ccc(I)cc2)c(C(=O)OCC)c1C ZINC000000678784 553751976 /nfs/dbraw/zinc/75/19/76/553751976.db2.gz TZLPOIBNVVWUHH-UHFFFAOYSA-N 0 0 487.315 4.267 50 0 JIAARN CC(C)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(Cl)cc3)n2C)cc1 ZINC000000687476 553757427 /nfs/dbraw/zinc/75/74/27/553757427.db2.gz GCBOTTVAZCTURF-UHFFFAOYSA-N 0 0 457.987 4.253 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000691955 553759146 /nfs/dbraw/zinc/75/91/46/553759146.db2.gz IYXFRYUFSXIWOE-UHFFFAOYSA-N 0 0 495.420 4.071 50 0 JIAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCCC2)cc(Br)c1O ZINC000000706394 553763861 /nfs/dbraw/zinc/76/38/61/553763861.db2.gz CHIFGESFUFCRNA-GOSISDBHSA-N 0 0 467.360 4.447 50 0 JIAARN CC(=O)Nc1ccc(NC(=S)NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000000724322 553773502 /nfs/dbraw/zinc/77/35/02/553773502.db2.gz DKJQPLHBGXDVBR-UHFFFAOYSA-N 0 0 473.723 4.030 50 0 JIAARN CCCS(=O)(=O)c1c2ccc(C(C)=O)cn2c(C(=O)c2ccc(C)cc2)c1S(=O)(=O)CCC ZINC000000728790 553775106 /nfs/dbraw/zinc/77/51/06/553775106.db2.gz URCUFIYFILLVRT-UHFFFAOYSA-N 0 0 489.615 4.049 50 0 JIAARN COc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCC3)n2)cc1 ZINC000000754078 553777446 /nfs/dbraw/zinc/77/74/46/553777446.db2.gz KRRIOBUWVVLOJL-UHFFFAOYSA-N 0 0 451.371 4.486 50 0 JIAARN O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000000759332 553778287 /nfs/dbraw/zinc/77/82/87/553778287.db2.gz ORFIXQALCZPHRA-UHFFFAOYSA-N 0 0 459.403 4.110 50 0 JIAARN CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@H](O)Cn3nc(C)cc3C)cc21 ZINC000000779973 553778811 /nfs/dbraw/zinc/77/88/11/553778811.db2.gz BXPZTXRUOVIUGB-JOCHJYFZSA-N 0 0 461.562 4.428 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2ccccc2)cc1 ZINC000000786640 553781257 /nfs/dbraw/zinc/78/12/57/553781257.db2.gz XPYLUWPAMMTRAJ-UHFFFAOYSA-N 0 0 475.364 4.292 50 0 JIAARN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2cccc(Br)c2)NC(=O)N1 ZINC000000799815 553783647 /nfs/dbraw/zinc/78/36/47/553783647.db2.gz JDVLVKOQMWXVAT-MRXNPFEDSA-N 0 0 465.145 4.478 50 0 JIAARN Cc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)c(Br)c1 ZINC000000816772 553785565 /nfs/dbraw/zinc/78/55/65/553785565.db2.gz ULGZKBKSSRLYTD-UHFFFAOYSA-N 0 0 459.323 4.405 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2cc(Cl)ccc2OC)cc1OC ZINC000000821211 553786420 /nfs/dbraw/zinc/78/64/20/553786420.db2.gz IYNUKAXIYSCGMS-UHFFFAOYSA-N 0 0 490.965 4.200 50 0 JIAARN O=C(Nc1ccccc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)o1 ZINC000000824006 553787330 /nfs/dbraw/zinc/78/73/30/553787330.db2.gz UDXPVKCCAYEJEH-GDNBJRDFSA-N 0 0 455.264 4.180 50 0 JIAARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccccc2C)C(Cl)(Cl)Cl)cc1OC ZINC000000836937 553792223 /nfs/dbraw/zinc/79/22/23/553792223.db2.gz NWYBPDDIGNIIDN-KRWDZBQOSA-N 0 0 476.813 4.425 50 0 JIAARN CCOc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000000839937 553793215 /nfs/dbraw/zinc/79/32/15/553793215.db2.gz YZFVKPATSAMFQP-UHFFFAOYSA-N 0 0 462.637 4.261 50 0 JIAARN O=C1C=CC(=O)N1c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N4C(=O)C=CC4=O)cc3)n2)cc1 ZINC000000842483 553793716 /nfs/dbraw/zinc/79/37/16/553793716.db2.gz YMDAFTJGFUOOKN-UHFFFAOYSA-N 0 0 498.498 4.336 50 0 JIAARN CCOc1ccccc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000000857986 553801082 /nfs/dbraw/zinc/80/10/82/553801082.db2.gz QBQFRTHCOGUHAI-UHFFFAOYSA-N 0 0 484.574 4.245 50 0 JIAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2I)NC(=O)N1C ZINC000000858245 553801339 /nfs/dbraw/zinc/80/13/39/553801339.db2.gz XTTSPYMNJGQAPB-SFHVURJKSA-N 0 0 462.287 4.005 50 0 JIAARN O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CCOCC1 ZINC000000866794 553806143 /nfs/dbraw/zinc/80/61/43/553806143.db2.gz DHQPZAVXOXCCCW-STQMWFEESA-N 0 0 493.711 4.432 50 0 JIAARN CCOc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000869506 553808209 /nfs/dbraw/zinc/80/82/09/553808209.db2.gz WWLBYBOEIYYGSW-UHFFFAOYSA-N 0 0 488.949 4.301 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2CC)c1 ZINC000000876343 553812968 /nfs/dbraw/zinc/81/29/68/553812968.db2.gz UAFJEPGTCOWYRH-UHFFFAOYSA-N 0 0 474.970 4.438 50 0 JIAARN COc1cccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000000880270 553817216 /nfs/dbraw/zinc/81/72/16/553817216.db2.gz UWRMNRMKTQTDSC-UHFFFAOYSA-N 0 0 460.939 4.191 50 0 JIAARN CCOC(=O)[C@H](CC)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(OC)cc1 ZINC000000907127 553839371 /nfs/dbraw/zinc/83/93/71/553839371.db2.gz UWUYKFMVTHQIOF-SFHVURJKSA-N 0 0 473.624 4.409 50 0 JIAARN O=C(CSc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1)Nc1cccc(C(F)(F)F)c1 ZINC000000907263 553839965 /nfs/dbraw/zinc/83/99/65/553839965.db2.gz IIXJOJDSBWEXAC-KRWDZBQOSA-N 0 0 463.485 4.269 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccccc3)n2-c2ccc(OC)cc2)cc1 ZINC000000917750 553849048 /nfs/dbraw/zinc/84/90/48/553849048.db2.gz FUHUXBBWFAMRRE-UHFFFAOYSA-N 0 0 460.559 4.360 50 0 JIAARN O=C(COc1ccc2ccccc2c1)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 ZINC000000937594 553874720 /nfs/dbraw/zinc/87/47/20/553874720.db2.gz SGVQMDQSEYECET-UHFFFAOYSA-N 0 0 467.572 4.252 50 0 JIAARN CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000941726 553877282 /nfs/dbraw/zinc/87/72/82/553877282.db2.gz SUZJLTFATOPBPZ-XMMPIXPASA-N 0 0 484.552 4.201 50 0 JIAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c1C ZINC000000950260 553880800 /nfs/dbraw/zinc/88/08/00/553880800.db2.gz YYJLXVNZIQFXIY-UHFFFAOYSA-N 0 0 492.707 4.239 50 0 JIAARN CC(C)c1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC000000950518 553880990 /nfs/dbraw/zinc/88/09/90/553880990.db2.gz POJIHELGIIOZSU-UHFFFAOYSA-N 0 0 470.525 4.444 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000000953334 553882378 /nfs/dbraw/zinc/88/23/78/553882378.db2.gz OSYGMLYYYCCMPW-UHFFFAOYSA-N 0 0 477.567 4.050 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000000960026 553886316 /nfs/dbraw/zinc/88/63/16/553886316.db2.gz VFTPOBHHYQYYHZ-UHFFFAOYSA-N 0 0 461.905 4.379 50 0 JIAARN COc1ccc(N([C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000000972412 553887783 /nfs/dbraw/zinc/88/77/83/553887783.db2.gz YMNZDBMPEZEREB-HXUWFJFHSA-N 0 0 452.576 4.079 50 0 JIAARN CCn1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c2ccccc21 ZINC000000981119 553890998 /nfs/dbraw/zinc/89/09/98/553890998.db2.gz RPTQWKLVSCJYQT-XQNSMLJCSA-N 0 0 474.586 4.046 50 0 JIAARN CCOc1ccc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 ZINC000000982618 553891692 /nfs/dbraw/zinc/89/16/92/553891692.db2.gz HEBWDEVDVSFVKA-UHFFFAOYSA-N 0 0 450.866 4.162 50 0 JIAARN O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(OCc2ccccc2)cc1 ZINC000000983106 553891992 /nfs/dbraw/zinc/89/19/92/553891992.db2.gz AXZZJSWPWKXVFF-UHFFFAOYSA-N 0 0 465.358 4.489 50 0 JIAARN COc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000000990404 553894860 /nfs/dbraw/zinc/89/48/60/553894860.db2.gz OWKDTBLGGARQFR-UHFFFAOYSA-N 0 0 482.583 4.159 50 0 biogenic JIAARN CCOc1ccc2nc(NC(=O)CSc3nnc4c5ccccc5n(C)c4n3)sc2c1 ZINC000001062202 553903409 /nfs/dbraw/zinc/90/34/09/553903409.db2.gz VQXKZXMJOOSHRU-UHFFFAOYSA-N 0 0 450.549 4.256 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2OC)cc1 ZINC000001112237 553909494 /nfs/dbraw/zinc/90/94/94/553909494.db2.gz VVSNONJKPBNJFW-UHFFFAOYSA-N 0 0 490.965 4.200 50 0 JIAARN COC(=O)c1ccc(NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001154635 553918206 /nfs/dbraw/zinc/91/82/06/553918206.db2.gz QOFXPCOBINJLFX-UHFFFAOYSA-N 0 0 486.977 4.265 50 0 JIAARN COc1ccc(N(CC(=O)Nc2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1Cl ZINC000001173664 553923740 /nfs/dbraw/zinc/92/37/40/553923740.db2.gz RYYHTAYWRTUFHT-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN COc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000001175171 553925710 /nfs/dbraw/zinc/92/57/10/553925710.db2.gz RNBMQETVYNVWQC-UHFFFAOYSA-N 0 0 488.993 4.229 50 0 JIAARN CC(C)Oc1cccc(N2C(=NCc3c[nH]c4ccccc34)Nc3ccncc3S2(=O)=O)c1 ZINC000001658703 553981687 /nfs/dbraw/zinc/98/16/87/553981687.db2.gz SMEHYXQQYDQDNA-UHFFFAOYSA-N 0 0 461.547 4.336 50 0 JIAARN O=C(c1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1)N1CCCCCC1 ZINC000001953564 554006846 /nfs/dbraw/zinc/00/68/46/554006846.db2.gz IBKATWMWNAHHOU-UHFFFAOYSA-N 0 0 451.954 4.177 50 0 JIAARN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21 ZINC000002060783 554017090 /nfs/dbraw/zinc/01/70/90/554017090.db2.gz IHFRKPSUZWYUCM-UBFBPUDLSA-N 0 0 488.337 4.376 50 0 JIAARN CCCCOc1c(I)cc(/C=C2\N=C(c3ccco3)OC2=O)cc1OC ZINC000002087345 554032791 /nfs/dbraw/zinc/03/27/91/554032791.db2.gz XLHLJIQZFNQDOH-UVTDQMKNSA-N 0 0 467.259 4.416 50 0 JIAARN CCCc1cc(=O)oc2cc(OC(=O)[C@@H](CCC)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002092080 554035179 /nfs/dbraw/zinc/03/51/79/554035179.db2.gz WYVGQOOSWAZVFT-OAQYLSRUSA-N 0 0 457.548 4.107 50 0 biogenic JIAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N32)cc1 ZINC000002092130 554035643 /nfs/dbraw/zinc/03/56/43/554035643.db2.gz YAVNDYNYFZYWNJ-IGKIAQTJSA-N 0 0 451.526 4.062 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Oc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 ZINC000002093437 554036970 /nfs/dbraw/zinc/03/69/70/554036970.db2.gz GMVMXTWUBVXJKN-OAQYLSRUSA-N 0 0 483.586 4.197 50 0 JIAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000002094801 554038991 /nfs/dbraw/zinc/03/89/91/554038991.db2.gz KNZVLUOZEKTOIU-QMHKHESXSA-N 0 0 483.586 4.197 50 0 JIAARN Cc1cc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)n(-c2ccc(Br)cc2)n1 ZINC000002095357 554039946 /nfs/dbraw/zinc/03/99/46/554039946.db2.gz CWAOQNJCYDJSFL-UHFFFAOYSA-N 0 0 468.307 4.376 50 0 biogenic JIAARN C=CCOc1c(Br)cc(/C=C2\SC(=O)N([C@H](C)C(=O)OCC)C2=O)cc1OC ZINC000002099543 554041999 /nfs/dbraw/zinc/04/19/99/554041999.db2.gz MTORKLUFWWAOKQ-MKVLZVNKSA-N 0 0 470.341 4.010 50 0 JIAARN COc1ccc(CCN2CC(=O)N3[C@H](c4ccc(C)cc4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002103570 554044169 /nfs/dbraw/zinc/04/41/69/554044169.db2.gz MWAAKLWQNZISNC-LITSAYRRSA-N 0 0 479.580 4.413 50 0 biogenic JIAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)CC(=O)N32)c1 ZINC000002107809 554047675 /nfs/dbraw/zinc/04/76/75/554047675.db2.gz GAUSCMGYPNKQQV-FIPFOOKPSA-N 0 0 479.536 4.090 50 0 biogenic JIAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccc(OC)cc3)CC(=O)N12 ZINC000002109849 554049354 /nfs/dbraw/zinc/04/93/54/554049354.db2.gz BSCPJJFMYJQNSY-ABYGYWHVSA-N 0 0 495.579 4.460 50 0 biogenic JIAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc43)c(C)c2oc1=O ZINC000002146944 554067007 /nfs/dbraw/zinc/06/70/07/554067007.db2.gz KSVMNVIUUPEDCG-UHFFFAOYSA-N 0 0 477.513 4.196 50 0 biogenic JIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)N32)cc1 ZINC000002148483 554067786 /nfs/dbraw/zinc/06/77/86/554067786.db2.gz LFQRWJOYARGBRD-BKMJKUGQSA-N 0 0 481.508 4.431 50 0 biogenic JIAARN Cn1nnnc1SCC(=O)Nc1ccc2nc(SCc3ccccc3Cl)sc2c1 ZINC000002155878 554072630 /nfs/dbraw/zinc/07/26/30/554072630.db2.gz HSCVZPCDQYGRPX-UHFFFAOYSA-N 0 0 463.013 4.496 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc3c4ccccc4[nH]c3n1)CCCC2 ZINC000002186850 554083497 /nfs/dbraw/zinc/08/34/97/554083497.db2.gz WFYUALJKWZCGFC-UHFFFAOYSA-N 0 0 467.576 4.354 50 0 JIAARN CCOC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(C(=O)OC)=NN2c2ccccc2OC)S1 ZINC000002204447 554092234 /nfs/dbraw/zinc/09/22/34/554092234.db2.gz DMXIPJHZTWEOQI-QHCPKHFHSA-N 0 0 485.587 4.394 50 0 JIAARN COc1cc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)ccc1OCCC(C)C ZINC000002220374 554100648 /nfs/dbraw/zinc/10/06/48/554100648.db2.gz VCKMKJSVJIRFPI-NDENLUEZSA-N 0 0 455.967 4.453 50 0 JIAARN O=C(Cn1c2sc3c(c2c(=O)n(-c2cccc(Cl)c2)c1=O)CCCC3)Nc1ccccc1 ZINC000002220929 554101029 /nfs/dbraw/zinc/10/10/29/554101029.db2.gz JZDZWWRMEGMLMJ-UHFFFAOYSA-N 0 0 465.962 4.385 50 0 JIAARN CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(O)c(OC)c2)s1 ZINC000002222742 554101918 /nfs/dbraw/zinc/10/19/18/554101918.db2.gz HGOJLMOMTLVGDD-LJQANCHMSA-N 0 0 467.478 4.200 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CCSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 ZINC000002256351 554119138 /nfs/dbraw/zinc/11/91/38/554119138.db2.gz JOZPODCLMVTDOG-UHFFFAOYSA-N 0 0 457.577 4.161 50 0 JIAARN Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1-c1ccc(Br)cc1 ZINC000002290742 554135017 /nfs/dbraw/zinc/13/50/17/554135017.db2.gz QEXIZNZMEPIDIM-UHFFFAOYSA-N 0 0 462.307 4.441 50 0 JIAARN COc1ccc(-n2c(N)c(C(=O)NCCc3ccccc3)c3nc4ccccc4nc32)c(OC)c1 ZINC000002291118 554135211 /nfs/dbraw/zinc/13/52/11/554135211.db2.gz KMWUQBLKQDEQHC-UHFFFAOYSA-N 0 0 467.529 4.146 50 0 JIAARN COc1ccc(CCn2c(N)c(C(=O)NCCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002291392 554135698 /nfs/dbraw/zinc/13/56/98/554135698.db2.gz LSFWUWJIDOQSPJ-UHFFFAOYSA-N 0 0 465.557 4.391 50 0 JIAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000002309355 554143220 /nfs/dbraw/zinc/14/32/20/554143220.db2.gz GOGSUHRXIFKMSW-ZDUSSCGKSA-N 0 0 456.340 4.102 50 0 JIAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1OC ZINC000002316593 554146101 /nfs/dbraw/zinc/14/61/01/554146101.db2.gz CLXPAPBOSOKMRR-ZRDIBKRKSA-N 0 0 473.620 4.050 50 0 JIAARN COc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)NCCO)cc1 ZINC000002318875 554146727 /nfs/dbraw/zinc/14/67/27/554146727.db2.gz TYRHADCAPNASHS-DEDYPNTBSA-N 0 0 475.328 4.141 50 0 JIAARN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1ccc2c(c1)OCCO2 ZINC000002337977 554154876 /nfs/dbraw/zinc/15/48/76/554154876.db2.gz CXORYSAZRIXWBO-SANMLTNESA-N 0 0 462.571 4.495 50 0 JIAARN CCOC(=O)CSc1nnc2n1c1c(c(=O)n2Cc2ccccc2)[C@](C)(CC)Cc2ccccc2-1 ZINC000002393455 554180367 /nfs/dbraw/zinc/18/03/67/554180367.db2.gz ZPOCHMNILPAXAD-HHHXNRCGSA-N 0 0 488.613 4.485 50 0 JIAARN COc1ccc(CCn2c(N)c(C(=O)NCc3cccs3)c3nc4ccccc4nc32)cc1OC ZINC000002394646 554181658 /nfs/dbraw/zinc/18/16/58/554181658.db2.gz ZMWJLDBCTBERJQ-UHFFFAOYSA-N 0 0 487.585 4.418 50 0 JIAARN CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(N(C[C@@H](C)O)C[C@@H](C)O)n1)CCC4 ZINC000002405806 554188330 /nfs/dbraw/zinc/18/83/30/554188330.db2.gz ZCPNFNOWPYSWDE-ZIAGYGMSSA-N 0 0 460.669 4.217 50 0 JIAARN CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1 ZINC000002438125 554208408 /nfs/dbraw/zinc/20/84/08/554208408.db2.gz PGSDEVSAUWUELE-UHFFFAOYSA-N 0 0 459.579 4.301 50 0 JIAARN COC(=O)c1ccc(CSc2nc3c(c(=O)n2-c2ccc(Br)cc2)SCC3)o1 ZINC000002459578 554222963 /nfs/dbraw/zinc/22/29/63/554222963.db2.gz DQBVXOAQWXDVEZ-UHFFFAOYSA-N 0 0 479.377 4.315 50 0 aggregator JIAARN COc1cc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC(C)(C)C)c3N2)cc(OC)c1OC ZINC000002474698 554224844 /nfs/dbraw/zinc/22/48/44/554224844.db2.gz GGZJISYDOPYXLL-XJKSGUPXSA-N 0 0 456.465 4.098 50 0 JIAARN O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002532638 554232936 /nfs/dbraw/zinc/23/29/36/554232936.db2.gz KRLRMYYIWAQEHR-UHFFFAOYSA-N 0 0 460.637 4.470 50 0 JIAARN COC(=O)c1ccc([C@H]2Oc3ccc(OC)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000002542248 554233852 /nfs/dbraw/zinc/23/38/52/554233852.db2.gz GDBIAVKCSNSCNH-JWQCQUIFSA-N 0 0 484.487 4.425 50 0 JIAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)cc1 ZINC000002601684 554240124 /nfs/dbraw/zinc/24/01/24/554240124.db2.gz VLPDUIBHOJVJKC-UHFFFAOYSA-N 0 0 471.991 4.237 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)Cc2ccco2)cc1 ZINC000002622019 554246639 /nfs/dbraw/zinc/24/66/39/554246639.db2.gz QLERZFBYZSWOEQ-UHFFFAOYSA-N 0 0 480.464 4.331 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000002631352 554253245 /nfs/dbraw/zinc/25/32/45/554253245.db2.gz QVAYFKQVPQJRJJ-UHFFFAOYSA-N 0 0 461.543 4.147 50 0 JIAARN Cc1ccc(NC(=O)CSc2nc3nn(-c4ccccc4)c(=O)c-3c3n2CCCCC3)cc1F ZINC000002632210 554253911 /nfs/dbraw/zinc/25/39/11/554253911.db2.gz JXDRFYPTACQYPR-UHFFFAOYSA-N 0 0 477.565 4.439 50 0 JIAARN O=S(=O)(c1ccc(F)cc1)N(c1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000002637599 554258059 /nfs/dbraw/zinc/25/80/59/554258059.db2.gz DAAYAWJFCATXTB-UHFFFAOYSA-N 0 0 459.442 4.429 50 0 JIAARN Cc1ccc(-n2c(SC[C@@H]3NS(=O)(=O)N=C4CCCCCN43)nnc2-c2ccccc2)cc1C ZINC000002639174 554258960 /nfs/dbraw/zinc/25/89/60/554258960.db2.gz AJWHUVRKFOSYHX-JOCHJYFZSA-N 0 0 496.662 4.092 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)c1C ZINC000002640973 554260316 /nfs/dbraw/zinc/26/03/16/554260316.db2.gz SKZRVYBBHDIKAB-LJQANCHMSA-N 0 0 494.544 4.106 50 0 JIAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000002649759 554265765 /nfs/dbraw/zinc/26/57/65/554265765.db2.gz XIKBAJXQYOTCCP-UHFFFAOYSA-N 0 0 464.513 4.131 50 0 JIAARN COc1ccc(-n2c(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)nnc2-c2ccccn2)cc1 ZINC000002654693 554270456 /nfs/dbraw/zinc/27/04/56/554270456.db2.gz DVEGFXZVJQPGDE-UHFFFAOYSA-N 0 0 461.547 4.460 50 0 JIAARN NC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2CCc2ccccc2)cc1 ZINC000002655979 554271658 /nfs/dbraw/zinc/27/16/58/554271658.db2.gz OVTXLLJHXROVKW-UHFFFAOYSA-N 0 0 477.615 4.003 50 0 JIAARN O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)c1ccc2c(c1)NC(=O)CO2 ZINC000002656960 554271992 /nfs/dbraw/zinc/27/19/92/554271992.db2.gz VUDAGXHYIKEAJT-UHFFFAOYSA-N 0 0 462.556 4.226 50 0 aggregator JIAARN O=C(CCCc1nc2ccccc2s1)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000002657140 554272331 /nfs/dbraw/zinc/27/23/31/554272331.db2.gz RXFDEBNGSMSXNH-UHFFFAOYSA-N 0 0 458.337 4.133 50 0 JIAARN O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21)Nc1cccc(Br)c1 ZINC000002661565 554274831 /nfs/dbraw/zinc/27/48/31/554274831.db2.gz ZPOHMWOLTBOFPN-UHFFFAOYSA-N 0 0 498.764 4.266 50 0 JIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000002664842 554277680 /nfs/dbraw/zinc/27/76/80/554277680.db2.gz OSPQTEHWRWKZKE-UHFFFAOYSA-N 0 0 473.425 4.130 50 0 JIAARN COCCCNC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CCCC2 ZINC000002672248 554279922 /nfs/dbraw/zinc/27/99/22/554279922.db2.gz UYRRSLZQUBYTQV-UHFFFAOYSA-N 0 0 451.386 4.408 50 0 JIAARN COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccc(Br)cc3[C@@H]2c2ccccc2)cc1 ZINC000002686376 554282977 /nfs/dbraw/zinc/28/29/77/554282977.db2.gz FMGJQVCVSIWDFC-QFIPXVFZSA-N 0 0 487.375 4.190 50 0 JIAARN Cc1ccc(-n2c(=O)c3c4c(sc3n(Cc3cc(=O)n5ccccc5n3)c2=O)CCCCC4)cc1C ZINC000002686467 554282990 /nfs/dbraw/zinc/28/29/90/554282990.db2.gz QBEJYPIMMRBDTB-UHFFFAOYSA-N 0 0 498.608 4.156 50 0 JIAARN CCN(Cc1ccccc1)C(=O)Cn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CCC3 ZINC000002687574 554283521 /nfs/dbraw/zinc/28/35/21/554283521.db2.gz MLSSXGICVGGLOX-UHFFFAOYSA-N 0 0 494.016 4.405 50 0 JIAARN CCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1cccc(OC)c1 ZINC000002691454 554287422 /nfs/dbraw/zinc/28/74/22/554287422.db2.gz XHAYKVNHLWJDRK-UHFFFAOYSA-N 0 0 494.544 4.183 50 0 JIAARN COc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(C)c(C)c4)nnn3c3ccccc23)cc1OC ZINC000002693314 554290332 /nfs/dbraw/zinc/29/03/32/554290332.db2.gz VBLAGLBNFJEBFV-UHFFFAOYSA-N 0 0 489.557 4.488 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(NCc2ccc(F)cc2)c2ccccc23)c(C)c1 ZINC000002693301 554290382 /nfs/dbraw/zinc/29/03/82/554290382.db2.gz KGOSYBHQYRNJGB-UHFFFAOYSA-N 0 0 461.522 4.478 50 0 JIAARN CSc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(O)n2)c1 ZINC000002693947 554291446 /nfs/dbraw/zinc/29/14/46/554291446.db2.gz OYECVUZKXXRKJW-UHFFFAOYSA-N 0 0 482.008 4.121 50 0 JIAARN COc1cc2ncc(C(=O)c3ccccc3)c(S(=O)(=O)c3ccc(F)cc3)c2cc1OC ZINC000002713717 554299302 /nfs/dbraw/zinc/29/93/02/554299302.db2.gz GXOWBMIYAGQVKN-UHFFFAOYSA-N 0 0 451.475 4.455 50 0 JIAARN Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000002722266 554308167 /nfs/dbraw/zinc/30/81/67/554308167.db2.gz XWUSXYYKAHGFJN-UHFFFAOYSA-N 0 0 476.554 4.182 50 0 JIAARN O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000002723434 554308783 /nfs/dbraw/zinc/30/87/83/554308783.db2.gz JUJVEEGNRGHVMC-UHFFFAOYSA-N 0 0 494.960 4.389 50 0 JIAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)cc1OC ZINC000002726156 554312356 /nfs/dbraw/zinc/31/23/56/554312356.db2.gz VXEJONWJKHAPIC-INIZCTEOSA-N 0 0 452.532 4.096 50 0 JIAARN Cc1nn(CCCn2c(=O)c3ccccc3nc2SCC(=O)Nc2ccccc2)cc1Cl ZINC000002733603 554317946 /nfs/dbraw/zinc/31/79/46/554317946.db2.gz NJAADJJLTFLDEL-UHFFFAOYSA-N 0 0 467.982 4.376 50 0 JIAARN COCCNC(=O)c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000002755341 554327903 /nfs/dbraw/zinc/32/79/03/554327903.db2.gz BVCBDDCXBSAZHB-NWDGAFQWSA-N 0 0 481.700 4.336 50 0 JIAARN Cc1nn(C)c(C)c1CN(C(=S)Nc1ccc(C)cc1)[C@@H]1CC(=O)N(c2cccc(C)c2)C1=O ZINC000002757551 554329047 /nfs/dbraw/zinc/32/90/47/554329047.db2.gz ZCRDDEPTRXWGSW-HSZRJFAPSA-N 0 0 475.618 4.185 50 0 JIAARN O=S(=O)(CN(CS(=O)(=O)c1ccccc1)c1cccc(Br)c1)c1ccccc1 ZINC000002759306 554330909 /nfs/dbraw/zinc/33/09/09/554330909.db2.gz MXDFEVWXDCYWII-UHFFFAOYSA-N 0 0 480.405 4.118 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)N2CCCC2)sc1NC(=O)COc1ccc(Cl)cc1C ZINC000002776366 554339824 /nfs/dbraw/zinc/33/98/24/554339824.db2.gz LCCWEKTWUPRZFQ-UHFFFAOYSA-N 0 0 464.971 4.449 50 0 JIAARN Cc1nn(CCCNC(=O)[C@@H](C)n2nc(C(F)F)c(Br)c2C)c(C)c1Cl ZINC000002782001 554342513 /nfs/dbraw/zinc/34/25/13/554342513.db2.gz ZQQCIBMBQXYCIH-LLVKDONJSA-N 0 0 452.731 4.126 50 0 JIAARN Cn1cc(Br)c(C(=O)N2c3ccnn3[C@H](C(F)(F)F)C[C@@H]2c2ccccc2)n1 ZINC000002786108 554344468 /nfs/dbraw/zinc/34/44/68/554344468.db2.gz YBBUCMHYVGVQHA-KGLIPLIRSA-N 0 0 454.250 4.274 50 0 JIAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C4N=NC(=S)N4C[C@H]4CCCO4)c3N2)cc1 ZINC000002791171 554346790 /nfs/dbraw/zinc/34/67/90/554346790.db2.gz ZXVCMIYSNOQORB-PVAVHDDUSA-N 0 0 480.516 4.278 50 0 JIAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4cnn(CC)c4C)cc3n2)s1 ZINC000002794285 554350131 /nfs/dbraw/zinc/35/01/31/554350131.db2.gz QCMAPMBFVUHKHP-UHFFFAOYSA-N 0 0 462.501 4.494 50 0 JIAARN CCCOc1ccc(C2C(C(=O)OC)=CN(Cc3ccc(F)cc3)C=C2C(=O)OC)cc1OC ZINC000002796786 554350686 /nfs/dbraw/zinc/35/06/86/554350686.db2.gz WLUSGGRUCXHNRD-UHFFFAOYSA-N 0 0 469.509 4.336 50 0 JIAARN O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1ccnn1COc1ccc(Cl)cc1 ZINC000002800555 554353353 /nfs/dbraw/zinc/35/33/53/554353353.db2.gz NWMGGCGKLDASCI-UHFFFAOYSA-N 0 0 467.879 4.486 50 0 JIAARN COc1ccc(OC)c(N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000002815539 554362447 /nfs/dbraw/zinc/36/24/47/554362447.db2.gz MUXQEGPTAVLQHN-UHFFFAOYSA-N 0 0 472.607 4.214 50 0 JIAARN Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccccc3F)n2C)C(C)C)c1 ZINC000002830670 554368083 /nfs/dbraw/zinc/36/80/83/554368083.db2.gz XKGURDAJKKCARV-FQEVSTJZSA-N 0 0 455.559 4.121 50 0 JIAARN CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(I)c2)c(Cl)cc1Cl ZINC000002850702 554378312 /nfs/dbraw/zinc/37/83/12/554378312.db2.gz ICLJQFOBMIORGH-UHFFFAOYSA-N 0 0 499.157 4.101 50 0 JIAARN COc1cccc(N(CC(=O)Nc2ccc(Br)cc2F)S(=O)(=O)c2ccccc2)c1 ZINC000002852790 554380622 /nfs/dbraw/zinc/38/06/22/554380622.db2.gz XSBZFEQMIUYEHS-UHFFFAOYSA-N 0 0 493.354 4.431 50 0 JIAARN O=C(Nc1ccc(Br)cc1Cl)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002853476 554381201 /nfs/dbraw/zinc/38/12/01/554381201.db2.gz QVPRAHGXUJGGMQ-UHFFFAOYSA-N 0 0 493.210 4.294 50 0 JIAARN CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(I)cc1 ZINC000002856923 554383675 /nfs/dbraw/zinc/38/36/75/554383675.db2.gz PGCAFBWIDYGYBM-UHFFFAOYSA-N 0 0 499.157 4.003 50 0 JIAARN CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002862049 554388912 /nfs/dbraw/zinc/38/89/12/554388912.db2.gz IADFAFOPOQUPQF-UHFFFAOYSA-N 0 0 487.891 4.224 50 0 JIAARN COc1ccc(Br)cc1[C@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(C)=O ZINC000002874281 554397483 /nfs/dbraw/zinc/39/74/83/554397483.db2.gz YHQGUVUHYGCXBQ-LJQANCHMSA-N 0 0 473.352 4.476 50 0 JIAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC ZINC000002880095 554402031 /nfs/dbraw/zinc/40/20/31/554402031.db2.gz WXUWPEGLAXESPA-KRWDZBQOSA-N 0 0 454.548 4.020 50 0 JIAARN O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccco1 ZINC000002881338 554403183 /nfs/dbraw/zinc/40/31/83/554403183.db2.gz BWLBGMMBRBGGPN-UHFFFAOYSA-N 0 0 468.966 4.022 50 0 JIAARN CCN1c2ccccc2[C@@]2(C1=O)c1c(oc3ccccc3c1=O)C(=O)N2CCc1ccc(OC)cc1 ZINC000002882160 554404725 /nfs/dbraw/zinc/40/47/25/554404725.db2.gz QRNJQRZTIUZJRB-LJAQVGFWSA-N 0 0 480.520 4.110 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)cc2)cc1 ZINC000002984549 554419157 /nfs/dbraw/zinc/41/91/57/554419157.db2.gz YMWZEKCGWJPVON-HYARGMPZSA-N 0 0 496.928 4.411 50 0 JIAARN O=C(/C=C/c1ccccc1)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000004123105 554475365 /nfs/dbraw/zinc/47/53/65/554475365.db2.gz NQUYUSUQKWJBIV-FOCLMDBBSA-N 0 0 470.598 4.175 50 0 JIAARN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000004543079 554478435 /nfs/dbraw/zinc/47/84/35/554478435.db2.gz VAUGOAYTZBTVGM-BJESRGMDSA-N 0 0 455.901 4.102 50 0 aggregator JIAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2cccnc2)cc1 ZINC000005949174 554498244 /nfs/dbraw/zinc/49/82/44/554498244.db2.gz JVESRRJQKKHATM-QHCPKHFHSA-N 0 0 474.586 4.007 50 0 JIAARN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000006132151 554505610 /nfs/dbraw/zinc/50/56/10/554505610.db2.gz OWQOFKJVLKSHBA-UHFFFAOYSA-N 0 0 452.580 4.190 50 0 JIAARN O=c1nc(SCCN2C(=O)c3cccc4cccc(c43)C2=O)[nH]c2sc3c(c21)CCCC3 ZINC000006142219 554508490 /nfs/dbraw/zinc/50/84/90/554508490.db2.gz WLIXFYVOSKYZHQ-UHFFFAOYSA-N 0 0 461.568 4.405 50 0 JIAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000006144328 554509988 /nfs/dbraw/zinc/50/99/88/554509988.db2.gz JRTRINVTXYLSFO-SFHVURJKSA-N 0 0 482.558 4.297 50 0 JIAARN Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2c1 ZINC000006153536 554512775 /nfs/dbraw/zinc/51/27/75/554512775.db2.gz VTZPLIHGYOLDNE-MRXNPFEDSA-N 0 0 458.609 4.165 50 0 JIAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(F)cc3)sc2=N1 ZINC000006242423 554521240 /nfs/dbraw/zinc/52/12/40/554521240.db2.gz WMTDJYSXCDFVBE-KZVLXBEFSA-N 0 0 469.541 4.013 50 0 JIAARN CCCCNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(C(C)C)cc3)cc2c1O ZINC000006296716 554528041 /nfs/dbraw/zinc/52/80/41/554528041.db2.gz APFSWQBQODCDGR-UHFFFAOYSA-N 0 0 455.580 4.007 50 0 JIAARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)NCc3ccncc3)c2)cc1 ZINC000006303188 554530507 /nfs/dbraw/zinc/53/05/07/554530507.db2.gz BBJCJLBGXPGASS-UHFFFAOYSA-N 0 0 487.581 4.416 50 0 JIAARN CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000006343439 554531456 /nfs/dbraw/zinc/53/14/56/554531456.db2.gz FHZXTWZRHYTWGU-LJQANCHMSA-N 0 0 494.569 4.491 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c2ccccc2Cl)cc1 ZINC000006348650 554532301 /nfs/dbraw/zinc/53/23/01/554532301.db2.gz MTLVNCOVBRLKMU-UHFFFAOYSA-N 0 0 476.023 4.147 50 0 JIAARN Cn1cccc1Cc1nnc(SCC(=O)NCc2ccccc2Cl)n1-c1ccc(F)cc1 ZINC000006577247 554552550 /nfs/dbraw/zinc/55/25/50/554552550.db2.gz HYKWEDPVZMIDDR-UHFFFAOYSA-N 0 0 469.973 4.398 50 0 JIAARN COc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(OC)cc4)CC3=O)cc2)cc1 ZINC000008383588 554566945 /nfs/dbraw/zinc/56/69/45/554566945.db2.gz ZVLFJXWOQWCICZ-LJQANCHMSA-N 0 0 475.497 4.275 50 0 JIAARN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(CC(=O)NCc2ccco2)c2ccccc12 ZINC000008430155 554583225 /nfs/dbraw/zinc/58/32/25/554583225.db2.gz NMWCPCKOUPCSQW-UCQKPKSFSA-N 0 0 470.554 4.155 50 0 JIAARN O=C(COC(=O)C1CCC(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1)c1ccc(Cl)cc1Cl ZINC000008432851 554586461 /nfs/dbraw/zinc/58/64/61/554586461.db2.gz GCBVSFUWLHVUAY-JFPXOWHKSA-N 0 0 478.372 4.309 50 0 JIAARN CCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)cc1 ZINC000008589332 554602216 /nfs/dbraw/zinc/60/22/16/554602216.db2.gz OTXRRVSCEDYOJY-UHFFFAOYSA-N 0 0 497.661 4.226 50 0 JIAARN O=C(c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@]2=O)N1CCOCC1 ZINC000008597369 554602989 /nfs/dbraw/zinc/60/29/89/554602989.db2.gz AMIFMYRBGKTOTG-XIFFEERXSA-N 0 0 480.973 4.140 50 0 JIAARN CN(Cc1ccc(Cl)s1)C(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21 ZINC000008745947 554649031 /nfs/dbraw/zinc/64/90/31/554649031.db2.gz SEMVZBRVSXABQX-UHFFFAOYSA-N 0 0 488.396 4.238 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000008746711 554649812 /nfs/dbraw/zinc/64/98/12/554649812.db2.gz UVKXMSAZSPTMNL-UHFFFAOYSA-N 0 0 454.932 4.105 50 0 JIAARN O=C(CNc1ccccc1Oc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008747350 554650276 /nfs/dbraw/zinc/65/02/76/554650276.db2.gz BOBGTIHYEYKLOW-UHFFFAOYSA-N 0 0 451.548 4.314 50 0 JIAARN COc1ccccc1-n1c(SCC(=O)NCCc2c[nH]c3ccccc23)nnc1N1CCCCC1 ZINC000008747666 554650729 /nfs/dbraw/zinc/65/07/29/554650729.db2.gz PMFGWSIXFGYASC-UHFFFAOYSA-N 0 0 490.633 4.199 50 0 JIAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000008750794 554652981 /nfs/dbraw/zinc/65/29/81/554652981.db2.gz UNQWIXHYETZHPQ-XCVCLJGOSA-N 0 0 490.006 4.136 50 0 JIAARN CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cc1 ZINC000008752905 554654519 /nfs/dbraw/zinc/65/45/19/554654519.db2.gz XEXVBYPQQIIXCC-HHHXNRCGSA-N 0 0 457.530 4.474 50 0 JIAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c1 ZINC000008754372 554656152 /nfs/dbraw/zinc/65/61/52/554656152.db2.gz LCGHSLPURMNRPN-UHFFFAOYSA-N 0 0 455.609 4.148 50 0 JIAARN C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)C1=O ZINC000008757376 554659748 /nfs/dbraw/zinc/65/97/48/554659748.db2.gz VQYGHKLAJROGCM-LVXARBLLSA-N 0 0 475.932 4.274 50 0 JIAARN CCCCCNC(=O)c1c(N)n(CCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000008770578 554670777 /nfs/dbraw/zinc/67/07/77/554670777.db2.gz HEGNSEVSAXZGTO-UHFFFAOYSA-N 0 0 461.566 4.347 50 0 JIAARN CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000008773905 554673215 /nfs/dbraw/zinc/67/32/15/554673215.db2.gz RLDZWJUGPOHATE-XHPQRKPJSA-N 0 0 456.542 4.045 50 0 JIAARN CCOc1cc(N[C@H](C)C(=O)NCC(F)(F)F)c(OCC)cc1NC(=O)c1ccccc1 ZINC000008779854 554677404 /nfs/dbraw/zinc/67/74/04/554677404.db2.gz SCOUMTWJFALERC-CQSZACIVSA-N 0 0 453.461 4.215 50 0 JIAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN([C@@H](C)CC)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008789267 554681607 /nfs/dbraw/zinc/68/16/07/554681607.db2.gz GDHKBOZSAUODSU-HPORLSDASA-N 0 0 475.589 4.405 50 0 biogenic JIAARN Cc1c(S(=O)(=O)CCNC(=O)NCc2cccs2)c2ccccc2n1Cc1ccccc1 ZINC000008808553 554687719 /nfs/dbraw/zinc/68/77/19/554687719.db2.gz USQQLDOSJIQRFT-UHFFFAOYSA-N 0 0 467.616 4.333 50 0 JIAARN Cc1ccc(-n2c(SCc3cccc(S(=O)(=O)N(C)C)c3)nnc2-c2ccncc2)cc1C ZINC000008825905 554714706 /nfs/dbraw/zinc/71/47/06/554714706.db2.gz GOINKWWPPMNXSI-UHFFFAOYSA-N 0 0 479.631 4.489 50 0 JIAARN Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)n[nH]2)c1 ZINC000008845331 554742376 /nfs/dbraw/zinc/74/23/76/554742376.db2.gz UCSSWPPRESVZFR-OAHLLOKOSA-N 0 0 468.579 4.072 50 0 JIAARN COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000008846101 554744432 /nfs/dbraw/zinc/74/44/32/554744432.db2.gz HRJQGHKHKFYFGY-HSZRJFAPSA-N 0 0 472.497 4.268 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(C)cc2O)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000008849312 554746891 /nfs/dbraw/zinc/74/68/91/554746891.db2.gz JPJMJYHFQDVHKI-UHFFFAOYSA-N 0 0 452.532 4.103 50 0 JIAARN COc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)c(OC)c1 ZINC000008852059 554748726 /nfs/dbraw/zinc/74/87/26/554748726.db2.gz BVBISHRBBCZBIN-UHFFFAOYSA-N 0 0 461.540 4.211 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000008852199 554748922 /nfs/dbraw/zinc/74/89/22/554748922.db2.gz PBDSOKPCAITJFA-UHFFFAOYSA-N 0 0 458.540 4.153 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)c1 ZINC000008852194 554748963 /nfs/dbraw/zinc/74/89/63/554748963.db2.gz OBZQWTNLWFZOQM-UHFFFAOYSA-N 0 0 458.540 4.153 50 0 JIAARN CCCCC(=O)Nc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000008855461 554750962 /nfs/dbraw/zinc/75/09/62/554750962.db2.gz ITLZDBUQNXIIIP-UHFFFAOYSA-N 0 0 453.967 4.119 50 0 JIAARN COC(=O)c1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2Br)cc1 ZINC000008861346 554758266 /nfs/dbraw/zinc/75/82/66/554758266.db2.gz VHESNVUBXRQWFT-CPNJWEJPSA-N 0 0 469.291 4.238 50 0 JIAARN COc1cc(/C=C2/NC(=S)NC2=O)ccc1OCc1ccc(Br)cc1Br ZINC000008861423 554758516 /nfs/dbraw/zinc/75/85/16/554758516.db2.gz UKHCFFHRUHOFND-MKMNVTDBSA-N 0 0 498.196 4.144 50 0 JIAARN Cc1sc2nc(CSCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)[nH]c(=O)c2c1C ZINC000008862433 554760393 /nfs/dbraw/zinc/76/03/93/554760393.db2.gz JQYZHHVQHKEJDE-KRWDZBQOSA-N 0 0 485.631 4.360 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)c1nc(SC)ncc1Br)CCCC2 ZINC000008868357 554762034 /nfs/dbraw/zinc/76/20/34/554762034.db2.gz XIEGPVPEIOWJQS-UHFFFAOYSA-N 0 0 456.387 4.330 50 0 JIAARN O=C(c1nc(SCc2ccccc2)ncc1Cl)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000008869006 554762892 /nfs/dbraw/zinc/76/28/92/554762892.db2.gz SKNWPCFLZCCISJ-MRXNPFEDSA-N 0 0 494.063 4.313 50 0 JIAARN Cc1cc(C(F)(F)F)n(-c2nc(-c3nnc(SCC(=O)N(C)c4ccccc4)n3C)cs2)n1 ZINC000008873668 554770472 /nfs/dbraw/zinc/77/04/72/554770472.db2.gz CRFZZRIZQQBBBV-UHFFFAOYSA-N 0 0 493.540 4.207 50 0 JIAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000008889924 554779857 /nfs/dbraw/zinc/77/98/57/554779857.db2.gz SGFZPFHFOFSASK-MYUZEXMDSA-N 0 0 457.530 4.007 50 0 JIAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000008889922 554779886 /nfs/dbraw/zinc/77/98/86/554779886.db2.gz SGFZPFHFOFSASK-DNOBIOAJSA-N 0 0 457.530 4.007 50 0 JIAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(C)s2)cc1OC ZINC000008894937 554784484 /nfs/dbraw/zinc/78/44/84/554784484.db2.gz TXPIKSYRORJPQI-HNNXBMFYSA-N 0 0 460.606 4.395 50 0 JIAARN C[C@@H](Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C(=O)Nc1ccccc1 ZINC000008895163 554784710 /nfs/dbraw/zinc/78/47/10/554784710.db2.gz LBZODFDCOHQQSL-QGZVFWFLSA-N 0 0 467.547 4.088 50 0 JIAARN Cn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)nnc1-c1ccncc1 ZINC000008900189 554792136 /nfs/dbraw/zinc/79/21/36/554792136.db2.gz LAYDNJGFHGAREC-MRXNPFEDSA-N 0 0 450.549 4.002 50 0 JIAARN O=C(NCCc1c[nH]cn1)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000008912023 554801630 /nfs/dbraw/zinc/80/16/30/554801630.db2.gz INDXSELWLDVLRF-UHFFFAOYSA-N 0 0 468.586 4.468 50 0 JIAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)NCc3ccc(OC(C)C)cc3)C2)s1 ZINC000008912693 554803297 /nfs/dbraw/zinc/80/32/97/554803297.db2.gz GPXVQCVWOMJNGW-HXUWFJFHSA-N 0 0 453.612 4.266 50 0 JIAARN COc1cccc(Cn2c3cnccc3nc2SCc2ccc(C(=O)N3CCOCC3)cc2)c1 ZINC000008913392 554805366 /nfs/dbraw/zinc/80/53/66/554805366.db2.gz ZDZKSMQJFYJEQU-UHFFFAOYSA-N 0 0 474.586 4.253 50 0 JIAARN O=C1N[C@H](c2c(F)cccc2Cl)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915416 554809156 /nfs/dbraw/zinc/80/91/56/554809156.db2.gz JDMIFKVQXNVENT-CPUCHLNUSA-N 0 0 451.203 4.236 50 0 JIAARN O=C(c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000008917179 554812091 /nfs/dbraw/zinc/81/20/91/554812091.db2.gz VDXLDMMHRVXVFL-UHFFFAOYSA-N 0 0 469.994 4.199 50 0 JIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl ZINC000008917170 554812148 /nfs/dbraw/zinc/81/21/48/554812148.db2.gz YOERZAZLECZZRF-UHFFFAOYSA-N 0 0 455.845 4.375 50 0 JIAARN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cc1OC ZINC000008917704 554813296 /nfs/dbraw/zinc/81/32/96/554813296.db2.gz HAOKTXOIGZTZHY-BVESXPNFSA-N 0 0 465.546 4.341 50 0 biogenic JIAARN C[C@]12C(=O)N(c3ccccc3C(=O)NCc3ccccc3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000008918245 554814412 /nfs/dbraw/zinc/81/44/12/554814412.db2.gz UWPNWKNHDZMYSI-NDEPHWFRSA-N 0 0 464.525 4.338 50 0 biogenic JIAARN CCCCOCCCNC(=O)c1ccccc1N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008918253 554814610 /nfs/dbraw/zinc/81/46/10/554814610.db2.gz PMZGZYUIGCTLSO-NDEPHWFRSA-N 0 0 488.588 4.345 50 0 biogenic JIAARN COc1ccc(N(CC(=O)Nc2ccccc2Br)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918757 554815531 /nfs/dbraw/zinc/81/55/31/554815531.db2.gz YYQSHQPAFKTKOW-UHFFFAOYSA-N 0 0 493.354 4.431 50 0 JIAARN COc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3)C2=O)c(OC)c1 ZINC000008922046 554818871 /nfs/dbraw/zinc/81/88/71/554818871.db2.gz XMPIPCRWRQGDRJ-VWLOTQADSA-N 0 0 451.906 4.365 50 0 JIAARN COc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(F)cc4)CC3=O)cc2)cc1 ZINC000008924061 554821399 /nfs/dbraw/zinc/82/13/99/554821399.db2.gz JXQXDIZADDGFMT-GOSISDBHSA-N 0 0 463.461 4.406 50 0 JIAARN C[C@@H]1CCC[C@@H](NC(=O)Cn2ncc3c4ccccc4n(Cc4ccc(F)cc4)c3c2=O)[C@@H]1C ZINC000008933384 554827366 /nfs/dbraw/zinc/82/73/66/554827366.db2.gz XGSVIHAYVXWTDQ-PMAPCBKXSA-N 0 0 460.553 4.480 50 0 JIAARN CN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3)C1CCCCC1 ZINC000008935763 554830080 /nfs/dbraw/zinc/83/00/80/554830080.db2.gz FWQSIXWPRZJXSH-QGZVFWFLSA-N 0 0 475.680 4.399 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000008939802 554831518 /nfs/dbraw/zinc/83/15/18/554831518.db2.gz GHHWPMPVHLJLJQ-UHFFFAOYSA-N 0 0 462.575 4.135 50 0 JIAARN Cc1c2cnn(CC(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)c(=O)c2c(C)n1Cc1ccc(C)cc1 ZINC000008965402 554839978 /nfs/dbraw/zinc/83/99/78/554839978.db2.gz ZBOVTNSSNHPPEA-JOCHJYFZSA-N 0 0 497.643 4.217 50 0 JIAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000008965720 554840787 /nfs/dbraw/zinc/84/07/87/554840787.db2.gz UHQAWCYXBSOLMT-IBGZPJMESA-N 0 0 481.643 4.253 50 0 JIAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008966144 554842120 /nfs/dbraw/zinc/84/21/20/554842120.db2.gz WQNLUTADJXYXSN-QFIPXVFZSA-N 0 0 458.514 4.453 50 0 JIAARN C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1=O ZINC000008982137 554847345 /nfs/dbraw/zinc/84/73/45/554847345.db2.gz XQHBRWCOYXIBNE-GOSISDBHSA-N 0 0 488.235 4.013 50 0 JIAARN Cc1cc(NC(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n(-c2ccccc2)n1 ZINC000008983128 554847472 /nfs/dbraw/zinc/84/74/72/554847472.db2.gz XJIBSUDVAOBNFN-UHFFFAOYSA-N 0 0 478.906 4.009 50 0 JIAARN COc1ccc(N(C(=O)CNC(C)=O)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1 ZINC000008984864 554848625 /nfs/dbraw/zinc/84/86/25/554848625.db2.gz IEDGKZTTZAOEDN-UHFFFAOYSA-N 0 0 451.567 4.123 50 0 JIAARN COC[C@H](C)n1c(SCc2nc(N)nc(Nc3ccc(Cl)cc3)n2)nc2ccccc2c1=O ZINC000008987726 554850197 /nfs/dbraw/zinc/85/01/97/554850197.db2.gz XGAOFSIWNYPAGJ-ZDUSSCGKSA-N 0 0 483.985 4.060 50 0 JIAARN O=C(CCn1c(=S)[nH]nc1-c1cccs1)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000008988161 554850700 /nfs/dbraw/zinc/85/07/00/554850700.db2.gz UAGDYYOKHNDWNG-UHFFFAOYSA-N 0 0 476.937 4.355 50 0 JIAARN CC(C)c1nc2sc3c(ncn(CC(=O)NCc4ccccc4)c3=O)c2c2c1COC(C)(C)C2 ZINC000008990173 554851819 /nfs/dbraw/zinc/85/18/19/554851819.db2.gz NIYGECXRDAAKKF-UHFFFAOYSA-N 0 0 476.602 4.297 50 0 JIAARN Cn1c2c(c(-c3ccc(Cl)cc3Cl)n3c2[C@@H](c2cccs2)OCC3)c(=O)n(C)c1=O ZINC000008992577 554853296 /nfs/dbraw/zinc/85/32/96/554853296.db2.gz HXNLMFRKJZYOFJ-LJQANCHMSA-N 0 0 462.358 4.194 50 0 JIAARN COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000009045103 554870004 /nfs/dbraw/zinc/87/00/04/554870004.db2.gz VIYLNXKJCPOXOB-UHFFFAOYSA-N 0 0 474.513 4.410 50 0 JIAARN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1Cc2ccccc2S1 ZINC000009050698 554872020 /nfs/dbraw/zinc/87/20/20/554872020.db2.gz VKHZJEVFJMPKNS-JOCHJYFZSA-N 0 0 460.621 4.304 50 0 JIAARN CNC(=O)[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000009052113 554872634 /nfs/dbraw/zinc/87/26/34/554872634.db2.gz AOOHHVRJFYOXBS-OAHLLOKOSA-N 0 0 455.285 4.120 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000009058059 554877207 /nfs/dbraw/zinc/87/72/07/554877207.db2.gz OTPNGXGNSSDYQA-UHFFFAOYSA-N 0 0 499.336 4.261 50 0 JIAARN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(OC)cc1 ZINC000009059791 554878398 /nfs/dbraw/zinc/87/83/98/554878398.db2.gz LOOCEAQWIDKKLP-RPBOFIJWSA-N 0 0 469.541 4.403 50 0 JIAARN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCCCc1ccccc1)N2c1ccc(Br)cc1 ZINC000009061317 554879291 /nfs/dbraw/zinc/87/92/91/554879291.db2.gz ZSLLUHHUIBGTQS-MOPGFXCFSA-N 0 0 465.438 4.157 50 0 JIAARN CC[C@H](Sc1nnc(CCNC(=O)c2ccccc2F)n1C)C(=O)Nc1ccc(C)cc1C ZINC000009095872 554893915 /nfs/dbraw/zinc/89/39/15/554893915.db2.gz NLSJFJBCYZCSBF-FQEVSTJZSA-N 0 0 469.586 4.053 50 0 JIAARN CC[C@H](C)[C@H](C(=O)OCC(=O)NCC(=O)Nc1ccc(Br)cc1C)c1ccccc1 ZINC000009097624 554896351 /nfs/dbraw/zinc/89/63/51/554896351.db2.gz LJCXCPGBVYQGIW-NYHFZMIOSA-N 0 0 475.383 4.185 50 0 JIAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1 ZINC000009109057 554897536 /nfs/dbraw/zinc/89/75/36/554897536.db2.gz PPAQNPAUHBDQFS-XDZXDJIYSA-N 0 0 492.531 4.319 50 0 JIAARN COc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)COc3ccc(C)cc3)c2)c2ccccc21 ZINC000009111611 554899058 /nfs/dbraw/zinc/89/90/58/554899058.db2.gz QEWOKVAVZVGRBM-UHFFFAOYSA-N 0 0 484.556 4.468 50 0 JIAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccccc1C(=O)NC1CCCC1 ZINC000009113670 554900923 /nfs/dbraw/zinc/90/09/23/554900923.db2.gz QUQBZPBNBKQSSN-HSZRJFAPSA-N 0 0 463.578 4.296 50 0 JIAARN CCCCn1c(CCC(=O)Nc2ccccc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009115698 554902627 /nfs/dbraw/zinc/90/26/27/554902627.db2.gz LMEBWJIOCCRTSY-UHFFFAOYSA-N 0 0 454.596 4.192 50 0 JIAARN Cc1c(Cl)cccc1-n1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccncc1 ZINC000009119984 554912138 /nfs/dbraw/zinc/91/21/38/554912138.db2.gz DZVCYRXCIJTKNG-UHFFFAOYSA-N 0 0 482.953 4.002 50 0 JIAARN CCOc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCCO)cc1OC ZINC000009124278 554915263 /nfs/dbraw/zinc/91/52/63/554915263.db2.gz GMCAHVBSVRKFLI-QHCPKHFHSA-N 0 0 471.941 4.079 50 0 JIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)s1 ZINC000009125058 554917146 /nfs/dbraw/zinc/91/71/46/554917146.db2.gz SEYKKQGKXHDYNF-UHFFFAOYSA-N 0 0 498.670 4.271 50 0 JIAARN COc1ccc(OC)c(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 ZINC000009125242 554917342 /nfs/dbraw/zinc/91/73/42/554917342.db2.gz FJYYPDWRWVIWRU-UHFFFAOYSA-N 0 0 453.878 4.384 50 0 JIAARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009125889 554918795 /nfs/dbraw/zinc/91/87/95/554918795.db2.gz INAPIWMQOZPIHY-UHFFFAOYSA-N 0 0 468.608 4.336 50 0 JIAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000009126255 554919830 /nfs/dbraw/zinc/91/98/30/554919830.db2.gz OIFXVEDKECMZGE-UHFFFAOYSA-N 0 0 457.486 4.367 50 0 JIAARN COc1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2cccs2)cc1 ZINC000009126935 554921426 /nfs/dbraw/zinc/92/14/26/554921426.db2.gz KBSFLXSPVBWCOO-HXUWFJFHSA-N 0 0 455.561 4.120 50 0 JIAARN O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009127551 554922581 /nfs/dbraw/zinc/92/25/81/554922581.db2.gz KVZBMFKYYZIHKO-UHFFFAOYSA-N 0 0 490.585 4.039 50 0 JIAARN Cc1c(NC(=O)CSc2nnc(Nc3c(C)cccc3C)s2)c(=O)n(-c2ccccc2)n1C ZINC000009128758 554925881 /nfs/dbraw/zinc/92/58/81/554925881.db2.gz HKWFLXXPKOGLOP-UHFFFAOYSA-N 0 0 480.619 4.427 50 0 JIAARN Cc1cc(OCC(=O)OCC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)ccc1Cl ZINC000009128964 554926293 /nfs/dbraw/zinc/92/62/93/554926293.db2.gz HIBHKWPRAIPQTE-UHFFFAOYSA-N 0 0 496.903 4.190 50 0 JIAARN COc1ccc2[nH]cc(CCNC(=O)COc3cc4oc(=O)c5c(c4cc3Cl)CCC5)c2c1 ZINC000009130624 554930364 /nfs/dbraw/zinc/93/03/64/554930364.db2.gz QGKCXRDNXSJJEM-UHFFFAOYSA-N 0 0 466.921 4.163 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCSc3ccccc32)c1 ZINC000009130999 554931231 /nfs/dbraw/zinc/93/12/31/554931231.db2.gz NPZDBWBSBPOREQ-UHFFFAOYSA-N 0 0 453.589 4.063 50 0 JIAARN O=C(N[C@H](c1ccccc1)c1ccncc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009139989 554934811 /nfs/dbraw/zinc/93/48/11/554934811.db2.gz KBJDXDNHQFBKAB-AREMUKBSSA-N 0 0 469.566 4.352 50 0 JIAARN CCOC(=O)c1c(NC(=O)N(Cc2ccco2)C2CCN(C(C)=O)CC2)sc2c1CCCC2 ZINC000009151142 554937149 /nfs/dbraw/zinc/93/71/49/554937149.db2.gz YZAFAQNNADNPQR-UHFFFAOYSA-N 0 0 473.595 4.442 50 0 JIAARN CCc1ccc(NC(=O)Cn2c3c4cc(C)ccc4n(C)c3c(=O)n(-c3ccc(C)cc3)c2=O)cc1 ZINC000009153565 554943419 /nfs/dbraw/zinc/94/34/19/554943419.db2.gz JQEPUGOMMPMFTE-UHFFFAOYSA-N 0 0 480.568 4.462 50 0 JIAARN CC[C@@H]1CCCCN1C(=O)Cn1c2c3cc(C)ccc3n(C)c2c(=O)n(-c2cccc(Cl)c2)c1=O ZINC000009153606 554943473 /nfs/dbraw/zinc/94/34/73/554943473.db2.gz XOZLAVGSLXTPDZ-LJQANCHMSA-N 0 0 493.007 4.397 50 0 JIAARN O=C(COC(=O)Cn1c2ccccc2nc1C(F)(F)F)Nc1ccc(N2CCCCC2)cc1 ZINC000009156782 554946545 /nfs/dbraw/zinc/94/65/45/554946545.db2.gz DAENKFPMLAHMHH-UHFFFAOYSA-N 0 0 460.456 4.227 50 0 JIAARN CCc1ccc(-n2c(-c3ccc(Cl)cc3Cl)cn3c4c(nc32)n(C)c(=O)n(C)c4=O)cc1 ZINC000009160824 554950036 /nfs/dbraw/zinc/95/00/36/554950036.db2.gz SHQJLCCKLYPVPJ-UHFFFAOYSA-N 0 0 468.344 4.212 50 0 JIAARN Cc1ccc(N2C(=O)C[C@H](C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)[C@H]2c2cccs2)cc1 ZINC000009170317 554953363 /nfs/dbraw/zinc/95/33/63/554953363.db2.gz PDPYAAOMDKLEJQ-CYFREDJKSA-N 0 0 472.570 4.046 50 0 JIAARN Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O ZINC000009172958 554954733 /nfs/dbraw/zinc/95/47/33/554954733.db2.gz YMKKWDUIYLNIDM-UHFFFAOYSA-N 0 0 469.617 4.026 50 0 JIAARN COc1cc(C(=O)OCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccccc1 ZINC000009179838 554955311 /nfs/dbraw/zinc/95/53/11/554955311.db2.gz OQWLRGMRQOUVAO-UHFFFAOYSA-N 0 0 490.556 4.111 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)N[C@@H](CCSC)C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000009183963 554956294 /nfs/dbraw/zinc/95/62/94/554956294.db2.gz NZMPMQHJQOVDDZ-IBGZPJMESA-N 0 0 478.014 4.185 50 0 JIAARN O=C(CCCCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc(Cl)cc1Cl ZINC000009184201 554956471 /nfs/dbraw/zinc/95/64/71/554956471.db2.gz ZUSHNJRTHXWIMC-UHFFFAOYSA-N 0 0 463.365 4.338 50 0 JIAARN CC(=O)Oc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)s2)cc1 ZINC000009198167 554969643 /nfs/dbraw/zinc/96/96/43/554969643.db2.gz XCQJPFYZGUWPNJ-OAHLLOKOSA-N 0 0 470.938 4.198 50 0 JIAARN COc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(CCc4c[nH]c5ccc(Cl)cc45)C3)sc2c1 ZINC000009199011 554970509 /nfs/dbraw/zinc/97/05/09/554970509.db2.gz LJLGAGGUOMSHKE-CQSZACIVSA-N 0 0 468.966 4.469 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc3oc(S[C@@H](C)C(=O)NC4CCCC4)nc3c2)cc1 ZINC000009203900 554974344 /nfs/dbraw/zinc/97/43/44/554974344.db2.gz MYDXYWTWZYZVMK-AWEZNQCLSA-N 0 0 475.592 4.177 50 0 JIAARN O=C(c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000009205715 554974870 /nfs/dbraw/zinc/97/48/70/554974870.db2.gz XBXRSZBQNOVJND-NBGIEHNGSA-N 0 0 485.625 4.131 50 0 JIAARN O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009206048 554975211 /nfs/dbraw/zinc/97/52/11/554975211.db2.gz MNPMCDHDUSOKST-UHFFFAOYSA-N 0 0 488.539 4.135 50 0 JIAARN C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000009209254 554978047 /nfs/dbraw/zinc/97/80/47/554978047.db2.gz QXWHOJVUWFYPQQ-LJQANCHMSA-N 0 0 459.575 4.357 50 0 JIAARN CCOc1ccc2nc(NC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)sc2c1 ZINC000009211064 554980723 /nfs/dbraw/zinc/98/07/23/554980723.db2.gz HDDZEEOHAOZJFS-MRXNPFEDSA-N 0 0 491.621 4.416 50 0 JIAARN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000009219567 554988216 /nfs/dbraw/zinc/98/82/16/554988216.db2.gz CWRDWLOKKWHQSK-GOSISDBHSA-N 0 0 466.588 4.102 50 0 JIAARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)C1 ZINC000009219416 554988253 /nfs/dbraw/zinc/98/82/53/554988253.db2.gz QWTJTJITMXFLSU-ZACQAIPSSA-N 0 0 475.680 4.112 50 0 JIAARN Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(C)cc4C)cc3)C2)cc1 ZINC000009232207 555004301 /nfs/dbraw/zinc/00/43/01/555004301.db2.gz KCHJWDRAGAFHSL-QHCPKHFHSA-N 0 0 485.584 4.299 50 0 JIAARN CCOC(=O)c1cnc(SCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)nc1N ZINC000009235801 555009719 /nfs/dbraw/zinc/00/97/19/555009719.db2.gz 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O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NCCc1c[nH]c2ccccc12 ZINC000009645352 555358031 /nfs/dbraw/zinc/35/80/31/555358031.db2.gz ZXLUCYHVQJMYIJ-UHFFFAOYSA-N 0 0 451.523 4.009 50 0 JIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)COc1cccc(C(C)=O)c1 ZINC000009561926 555361274 /nfs/dbraw/zinc/36/12/74/555361274.db2.gz XLCJQJHHSKHJMG-UHFFFAOYSA-N 0 0 481.526 4.355 50 0 JIAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)c3ccccc3n2)cc1 ZINC000009562212 555362141 /nfs/dbraw/zinc/36/21/41/555362141.db2.gz WZXNSXOQHHBDFY-UHFFFAOYSA-N 0 0 468.465 4.281 50 0 JIAARN Cc1sc2nc(CN3CCOCC3)nc(Sc3nnc(-c4ccc5c(c4)OCO5)o3)c2c1C ZINC000013163716 555362483 /nfs/dbraw/zinc/36/24/83/555362483.db2.gz DCXGOWRYTDIAFN-UHFFFAOYSA-N 0 0 483.575 4.070 50 0 JIAARN Cc1ccccc1-n1c(SCC(=O)Nc2nnc(-c3ccccc3)o2)nnc1-c1ccncc1 ZINC000009562305 555362562 /nfs/dbraw/zinc/36/25/62/555362562.db2.gz ADCMFYXXBKPXDE-UHFFFAOYSA-N 0 0 469.530 4.419 50 0 JIAARN Cc1nc(COc2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)cs1 ZINC000013164285 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Cc1ccc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000009666045 555377578 /nfs/dbraw/zinc/37/75/78/555377578.db2.gz XECSALQGHGBJFG-UHFFFAOYSA-N 0 0 485.389 4.272 50 0 JIAARN O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000009578303 555378948 /nfs/dbraw/zinc/37/89/48/555378948.db2.gz QBIZGNQHRUZORY-UHFFFAOYSA-N 0 0 465.351 4.260 50 0 JIAARN O=C(CCc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000009666820 555380152 /nfs/dbraw/zinc/38/01/52/555380152.db2.gz CWDWMIJRNZFJAQ-UHFFFAOYSA-N 0 0 475.932 4.076 50 0 JIAARN CC(C)CNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000013352956 555381500 /nfs/dbraw/zinc/38/15/00/555381500.db2.gz VCLODTWYSKTLEU-UHFFFAOYSA-N 0 0 499.677 4.409 50 0 JIAARN O=C(NCc1csc(-c2cccs2)n1)[C@H]1CSCN1C(=O)c1ccccc1Cl ZINC000013354960 555382555 /nfs/dbraw/zinc/38/25/55/555382555.db2.gz NOPIVNMZAKQEMB-OAHLLOKOSA-N 0 0 450.010 4.357 50 0 JIAARN C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009579428 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COc1cccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3nc(-c4ccc(C)cc4)c(C)s3)C2)c1 ZINC000009581266 555388006 /nfs/dbraw/zinc/38/80/06/555388006.db2.gz WIIPLKUNIFXLGZ-IBGZPJMESA-N 0 0 464.543 4.215 50 0 JIAARN Cc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4nc(CC(C)C)sc4n3)c2)cc1 ZINC000013368198 555389816 /nfs/dbraw/zinc/38/98/16/555389816.db2.gz PIJGFFMZWAIIAO-UHFFFAOYSA-N 0 0 478.574 4.254 50 0 JIAARN COc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4nc(CC(C)C)sc4n3)c2)c1 ZINC000013368209 555390163 /nfs/dbraw/zinc/39/01/63/555390163.db2.gz DIAJVKSMAQDOKF-UHFFFAOYSA-N 0 0 464.547 4.189 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 ZINC000009583274 555391039 /nfs/dbraw/zinc/39/10/39/555391039.db2.gz RNWDOJRFHBYOBP-UHFFFAOYSA-N 0 0 463.490 4.027 50 0 JIAARN Cc1cccc(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)c1 ZINC000009583336 555391076 /nfs/dbraw/zinc/39/10/76/555391076.db2.gz BSNINEXFOCFGKU-UHFFFAOYSA-N 0 0 484.961 4.195 50 0 JIAARN COc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)cc1S(=O)(=O)N1CCCC1 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4.062 50 0 JIAARN C[C@@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000010021841 555597441 /nfs/dbraw/zinc/59/74/41/555597441.db2.gz XOLPIYOQAOYBKW-MSOLQXFVSA-N 0 0 464.949 4.296 50 0 JIAARN COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000010022100 555598024 /nfs/dbraw/zinc/59/80/24/555598024.db2.gz NRKUSRFRAONFEU-UHFFFAOYSA-N 0 0 461.470 4.035 50 0 JIAARN COc1ccc(-c2nc(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)cs2)cc1OC ZINC000013727259 555601282 /nfs/dbraw/zinc/60/12/82/555601282.db2.gz VBGPCQIAIHFJEB-UHFFFAOYSA-N 0 0 457.983 4.372 50 0 JIAARN COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1=O ZINC000010032364 555601659 /nfs/dbraw/zinc/60/16/59/555601659.db2.gz XLIISKDBFPCMDW-SHQCIBLASA-N 0 0 491.975 4.107 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@@H]5ON=C(c6ccc(Cl)cc6Cl)[C@H]45)[C@@H]3C2=O)cc1 ZINC000013736261 555606078 /nfs/dbraw/zinc/60/60/78/555606078.db2.gz YWELTKFKWZLDPF-CSISXUHZSA-N 0 0 499.350 4.345 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C\c3ccccc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000013739567 555606999 /nfs/dbraw/zinc/60/69/99/555606999.db2.gz PFKFGWQZMFKZPT-AXDAOFHDSA-N 0 0 456.567 4.129 50 0 JIAARN COC(=O)CSCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000020032981 555608115 /nfs/dbraw/zinc/60/81/15/555608115.db2.gz KDUBNOFJSVOKKI-LJQANCHMSA-N 0 0 477.380 4.042 50 0 JIAARN CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000010059879 555611107 /nfs/dbraw/zinc/61/11/07/555611107.db2.gz IFZATWIWKKIZGO-UHFFFAOYSA-N 0 0 487.556 4.087 50 0 JIAARN COc1ccccc1NC(=O)C[C@@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(Cl)c1 ZINC000010075542 555614918 /nfs/dbraw/zinc/61/49/18/555614918.db2.gz HZNPGMWSBVSESB-YZGWKJHDSA-N 0 0 470.957 4.021 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000010078019 555616062 /nfs/dbraw/zinc/61/60/62/555616062.db2.gz OOELEDKFTSOCPE-UHFFFAOYSA-N 0 0 494.613 4.356 50 0 JIAARN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000010089788 555617360 /nfs/dbraw/zinc/61/73/60/555617360.db2.gz LIKLMVGWFKOKAA-FQEVSTJZSA-N 0 0 490.610 4.214 50 0 JIAARN CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1nc2ccccc2nc1C(F)(F)F)C(F)(F)F ZINC000020076641 555628815 /nfs/dbraw/zinc/62/88/15/555628815.db2.gz IBEWCSLUYLOCAD-IBGZPJMESA-N 0 0 486.372 4.312 50 0 biogenic JIAARN CCC[C@@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 ZINC000010119467 555630988 /nfs/dbraw/zinc/63/09/88/555630988.db2.gz JAQGWRIEQRMCRH-CQSZACIVSA-N 0 0 451.386 4.119 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1 ZINC000020083665 555631175 /nfs/dbraw/zinc/63/11/75/555631175.db2.gz XZOQYBOBLJGTSZ-QYOOZWMWSA-N 0 0 464.521 4.402 50 0 JIAARN Cc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=C4SC(=O)NC4=O)o3)cc2)cc1 ZINC000013843911 555632989 /nfs/dbraw/zinc/63/29/89/555632989.db2.gz JBFQMUFBSQXBDA-NDENLUEZSA-N 0 0 462.483 4.374 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000013844590 555633421 /nfs/dbraw/zinc/63/34/21/555633421.db2.gz PZPMIVHSXHEVPN-NRFANRHFSA-N 0 0 458.967 4.185 50 0 JIAARN COc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000013858190 555636430 /nfs/dbraw/zinc/63/64/30/555636430.db2.gz RNFBNYNYGJWZID-UHFFFAOYSA-N 0 0 474.966 4.187 50 0 JIAARN COc1ccc([C@@H]2[C@H](C(=O)NCCC(C)C)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020104719 555637402 /nfs/dbraw/zinc/63/74/02/555637402.db2.gz CKYDHMYQRVLNND-PXDATVDWSA-N 0 0 484.593 4.368 50 0 JIAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010187168 555642457 /nfs/dbraw/zinc/64/24/57/555642457.db2.gz PLEDMLIVLMHEAJ-AWEZNQCLSA-N 0 0 471.988 4.456 50 0 JIAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccccn1)c1nc2c(cccc2F)s1 ZINC000010187582 555643613 /nfs/dbraw/zinc/64/36/13/555643613.db2.gz VLNUQHHFSWQARH-UHFFFAOYSA-N 0 0 496.589 4.462 50 0 JIAARN CCOC(=O)N1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000010214323 555647856 /nfs/dbraw/zinc/64/78/56/555647856.db2.gz HPVSFMWEZDKYOJ-NRFANRHFSA-N 0 0 451.523 4.196 50 0 JIAARN CCOC(=O)N1CCC2(CC1)Oc1c(OCC)cccc1[C@@H]1CC(c3cccc(O)c3)=NN12 ZINC000010214574 555648035 /nfs/dbraw/zinc/64/80/35/555648035.db2.gz XAKVNRUAPFHONB-NRFANRHFSA-N 0 0 451.523 4.283 50 0 JIAARN COc1cccc(-c2nnc(SCC(=O)N3CCC(c4ccccc4)=N3)n2Cc2ccco2)c1 ZINC000010216751 555649512 /nfs/dbraw/zinc/64/95/12/555649512.db2.gz VDORRMFCEGZPEL-UHFFFAOYSA-N 0 0 473.558 4.324 50 0 JIAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000010220153 555653627 /nfs/dbraw/zinc/65/36/27/555653627.db2.gz IQAYQVBDHRJFTR-UHFFFAOYSA-N 0 0 494.979 4.421 50 0 JIAARN Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)o2)c(C)c1 ZINC000010220638 555653889 /nfs/dbraw/zinc/65/38/89/555653889.db2.gz YGZFBJCAYSXGLL-UHFFFAOYSA-N 0 0 454.552 4.169 50 0 JIAARN Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)o2)c(C)c1 ZINC000010220692 555654219 /nfs/dbraw/zinc/65/42/19/555654219.db2.gz KBXAJEQWFAJOCI-UHFFFAOYSA-N 0 0 466.519 4.019 50 0 JIAARN Cc1cnc(SCCN2CCOCC2)nc1[C@@H]1CCCN(C(=O)c2ccc(OC(C)C)cc2)C1 ZINC000020119065 555655137 /nfs/dbraw/zinc/65/51/37/555655137.db2.gz FTPDBRRYIGTDGH-JOCHJYFZSA-N 0 0 484.666 4.016 50 0 JIAARN Cc1cc(C)cc(N2C[C@H](c3nnc(NC(=O)COc4ccc(Cl)cc4)s3)CC2=O)c1 ZINC000013944431 555655907 /nfs/dbraw/zinc/65/59/07/555655907.db2.gz LZFXPXSNMZTSOO-OAHLLOKOSA-N 0 0 456.955 4.346 50 0 JIAARN CC(=O)N1CCc2c(sc3nc(SCc4ccccc4C)n(C[C@H]4CCCO4)c(=O)c23)C1 ZINC000020132227 555656804 /nfs/dbraw/zinc/65/68/04/555656804.db2.gz GPDMLHYSHVPCSF-GOSISDBHSA-N 0 0 469.632 4.142 50 0 JIAARN Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c(C)cc1Cl ZINC000013949325 555658790 /nfs/dbraw/zinc/65/87/90/555658790.db2.gz SGLVDFSKNUIXBB-HUUCEWRRSA-N 0 0 471.044 4.424 50 0 JIAARN CCOC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000010239484 555659465 /nfs/dbraw/zinc/65/94/65/555659465.db2.gz GMLNWKOVWWRTOF-NRFANRHFSA-N 0 0 464.591 4.279 50 0 JIAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1F ZINC000013955919 555660213 /nfs/dbraw/zinc/66/02/13/555660213.db2.gz AQJSSEQGPPLAEZ-UHFFFAOYSA-N 0 0 461.950 4.311 50 0 JIAARN O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000010251756 555660927 /nfs/dbraw/zinc/66/09/27/555660927.db2.gz XUEFQOHCZXTZMC-UHFFFAOYSA-N 0 0 468.344 4.471 50 0 JIAARN O=C(Nc1ccc(Br)cc1)[C@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000020137166 555660961 /nfs/dbraw/zinc/66/09/61/555660961.db2.gz ODUOPYOLXWESAL-QGZVFWFLSA-N 0 0 451.367 4.169 50 0 JIAARN CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCC(=O)Nc1nc2c(cccc2C)s1 ZINC000013956467 555661212 /nfs/dbraw/zinc/66/12/12/555661212.db2.gz ZRHYZAKJVOHVCR-UHFFFAOYSA-N 0 0 480.619 4.437 50 0 JIAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccncc1)c1nc2c(cccc2F)s1 ZINC000010254251 555662001 /nfs/dbraw/zinc/66/20/01/555662001.db2.gz XXOJRASORTXYNU-UHFFFAOYSA-N 0 0 496.589 4.462 50 0 JIAARN COc1cn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(CSc2ncccn2)cc1=O ZINC000010254866 555662726 /nfs/dbraw/zinc/66/27/26/555662726.db2.gz ZKBHGAXGKUWABV-UHFFFAOYSA-N 0 0 484.887 4.250 50 0 JIAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccn(Cc4ccc(Br)cc4)n3)c12 ZINC000013960970 555665223 /nfs/dbraw/zinc/66/52/23/555665223.db2.gz UVQZGOOLHTXKHN-UHFFFAOYSA-N 0 0 465.355 4.414 50 0 JIAARN CCOc1ccccc1NC(=O)CN1c2ccccc2[C@]2(SCC(=O)N2c2cccc(C)c2)C1=O ZINC000010272452 555666230 /nfs/dbraw/zinc/66/62/30/555666230.db2.gz NUWBEAVINOSHFY-MHZLTWQESA-N 0 0 487.581 4.312 50 0 JIAARN CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1CN1CCOCC1 ZINC000020150242 555666629 /nfs/dbraw/zinc/66/66/29/555666629.db2.gz NBPAGOGMLPPIFY-UHFFFAOYSA-N 0 0 473.367 4.411 50 0 JIAARN CCc1ccccc1N1C(=O)N(Cc2cc(OC)ccc2C(=O)OC)c2ccccc2S1(=O)=O ZINC000010272610 555666795 /nfs/dbraw/zinc/66/67/95/555666795.db2.gz LJAOGBXZOMIOHX-UHFFFAOYSA-N 0 0 480.542 4.380 50 0 JIAARN COc1cccc(CN2c3ccccc3S(=O)(=O)N(c3ccc(OC)c(OC)c3)C2=O)c1 ZINC000010273822 555669095 /nfs/dbraw/zinc/66/90/95/555669095.db2.gz GURVDPDLEWTMIN-UHFFFAOYSA-N 0 0 454.504 4.048 50 0 JIAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000010276101 555670832 /nfs/dbraw/zinc/67/08/32/555670832.db2.gz PKZQQDGBATWXLM-KRWDZBQOSA-N 0 0 455.605 4.117 50 0 JIAARN COc1ccc(Cl)cc1-c1nc(SCC(=O)N(Cc2ccco2)CC(F)(F)F)n[nH]1 ZINC000014015235 555670938 /nfs/dbraw/zinc/67/09/38/555670938.db2.gz VUEPVOUVWLWFHX-UHFFFAOYSA-N 0 0 460.865 4.410 50 0 JIAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1 ZINC000010276348 555671182 /nfs/dbraw/zinc/67/11/82/555671182.db2.gz AZGSEOSDMXDSNK-UHFFFAOYSA-N 0 0 491.548 4.407 50 0 JIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccccc2C(=O)NCc2ccccc2)c1 ZINC000014021819 555673364 /nfs/dbraw/zinc/67/33/64/555673364.db2.gz YQCGMIPJXFPRKI-XMMPIXPASA-N 0 0 474.557 4.376 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1[C@H](C)c1ccccc1 ZINC000014066614 555675982 /nfs/dbraw/zinc/67/59/82/555675982.db2.gz XLIPULORGQUCOO-XGCWNURASA-N 0 0 473.529 4.093 50 0 JIAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)Cc1cnn(Cc2ccccc2)c1 ZINC000010305016 555678619 /nfs/dbraw/zinc/67/86/19/555678619.db2.gz FTCOWBMUGDACEW-UHFFFAOYSA-N 0 0 452.562 4.335 50 0 JIAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3csc4c3CCCC4)n2C)nc1C ZINC000020168274 555678954 /nfs/dbraw/zinc/67/89/54/555678954.db2.gz ODODPSOXXLQOOE-UHFFFAOYSA-N 0 0 477.637 4.095 50 0 JIAARN CCOC(=O)c1c(NC(=S)N2CCN(c3cccc(O)c3)CC2)sc2c1CCCCC2 ZINC000020168469 555679268 /nfs/dbraw/zinc/67/92/68/555679268.db2.gz GBOQWWYDXUTVBD-UHFFFAOYSA-N 0 0 459.637 4.418 50 0 JIAARN COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)cc1S(=O)(=O)N(C)C ZINC000014095004 555687401 /nfs/dbraw/zinc/68/74/01/555687401.db2.gz FRLHYOQPTULANU-UHFFFAOYSA-N 0 0 465.531 4.314 50 0 JIAARN CCN(CC(=O)NC(C)C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC000014111158 555690634 /nfs/dbraw/zinc/69/06/34/555690634.db2.gz LKADTBXYZPIJQF-UHFFFAOYSA-N 0 0 455.562 4.133 50 0 JIAARN C#CCOc1ccccc1[C@@H]1NC(=S)N(c2ccccc2OC)C(C)=C1C(=O)Nc1cc(C)on1 ZINC000010355140 555695333 /nfs/dbraw/zinc/69/53/33/555695333.db2.gz GMBFXRFWDMXWQZ-DEOSSOPVSA-N 0 0 488.569 4.352 50 0 JIAARN COCCn1c(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)nnc1-c1ccncc1 ZINC000014122786 555695376 /nfs/dbraw/zinc/69/53/76/555695376.db2.gz MYMQSTGJQYGNLB-UHFFFAOYSA-N 0 0 494.646 4.095 50 0 JIAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)N1CC=C(c2ccccc2)CC1 ZINC000014124286 555695890 /nfs/dbraw/zinc/69/58/90/555695890.db2.gz GXOSDJJOMLCIHN-UHFFFAOYSA-N 0 0 457.559 4.389 50 0 JIAARN O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(Cl)c1N1CCOCC1 ZINC000014126645 555697112 /nfs/dbraw/zinc/69/71/12/555697112.db2.gz SBXOTALEHBSELW-UHFFFAOYSA-N 0 0 460.018 4.228 50 0 JIAARN CCS(=O)(=O)c1ccc2oc(SCC(=O)N3CCS[C@@H]3c3ccccc3F)nc2c1 ZINC000014129401 555698994 /nfs/dbraw/zinc/69/89/94/555698994.db2.gz KNNZOGOPILSYLF-LJQANCHMSA-N 0 0 466.581 4.127 50 0 JIAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1=O ZINC000014138946 555705370 /nfs/dbraw/zinc/70/53/70/555705370.db2.gz BQLVFTPIQLWKQS-RNWIMVQKSA-N 0 0 499.567 4.132 50 0 JIAARN CC[C@@H](C)N(C(=O)CSc1nc2ccccc2n1C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000010398255 555705482 /nfs/dbraw/zinc/70/54/82/555705482.db2.gz CSXQJGUILUXANB-MJGOQNOKSA-N 0 0 463.669 4.448 50 0 JIAARN CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1CC ZINC000010408674 555706036 /nfs/dbraw/zinc/70/60/36/555706036.db2.gz UDPXOBXFTOMMEX-LJQANCHMSA-N 0 0 458.628 4.299 50 0 JIAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000014141436 555706810 /nfs/dbraw/zinc/70/68/10/555706810.db2.gz OZHDQZAVETXFOE-UHFFFAOYSA-N 0 0 487.991 4.348 50 0 JIAARN CCOc1ccc2oc(=O)cc(CN3CCN(Cc4cc(=O)oc5ccc(CC)cc45)CC3)c2c1 ZINC000020213227 555707279 /nfs/dbraw/zinc/70/72/79/555707279.db2.gz BZXUYQDPIJEWGS-UHFFFAOYSA-N 0 0 474.557 4.178 50 0 JIAARN CCn1ncc(CN(C)CC(=O)Nc2scc(-c3cc(C)ccc3C)c2C(=O)OC)c1C ZINC000020214012 555708345 /nfs/dbraw/zinc/70/83/45/555708345.db2.gz QKBXAHXYFDJHBO-UHFFFAOYSA-N 0 0 454.596 4.414 50 0 JIAARN CCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000020215082 555711287 /nfs/dbraw/zinc/71/12/87/555711287.db2.gz QEVJBRYTJIPGTO-UHFFFAOYSA-N 0 0 461.610 4.270 50 0 JIAARN CCc1cc([C@H](c2cccc(OC)c2)N2CCN(CCO)CC2)c(NC(=O)c2ccccc2)s1 ZINC000020218763 555712338 /nfs/dbraw/zinc/71/23/38/555712338.db2.gz OLGKVPDVZOHNQP-VWLOTQADSA-N 0 0 479.646 4.271 50 0 JIAARN O=c1c(N2CCOCC2)nc2cc(Cl)ccc2n1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000020218968 555713192 /nfs/dbraw/zinc/71/31/92/555713192.db2.gz VLOHQSQKSZWFDK-UHFFFAOYSA-N 0 0 488.297 4.066 50 0 JIAARN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)OCCC)cc3)cc2)CC1=O ZINC000010461932 555717878 /nfs/dbraw/zinc/71/78/78/555717878.db2.gz OKYQILDPGYUJPT-FQEVSTJZSA-N 0 0 465.550 4.093 50 0 JIAARN O=C(c1cn(Cc2ccccc2)nn1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000014166393 555719404 /nfs/dbraw/zinc/71/94/04/555719404.db2.gz AGDVSJNKCIASDQ-UHFFFAOYSA-N 0 0 473.527 4.152 50 0 JIAARN 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COc1ccc(-n2c(S[C@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)nnc2-c2ccncc2)cc1 ZINC000011151883 555763650 /nfs/dbraw/zinc/76/36/50/555763650.db2.gz OSWYBTRLURCHBB-FGTMMUONSA-N 0 0 451.596 4.323 50 0 JIAARN O=C(NCC1(c2ccccc2)CCC1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000011176884 555764829 /nfs/dbraw/zinc/76/48/29/555764829.db2.gz INZSMBYNISQXJS-UHFFFAOYSA-N 0 0 480.552 4.344 50 0 JIAARN COc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000011240262 555768936 /nfs/dbraw/zinc/76/89/36/555768936.db2.gz MOELSYNCXAAMSP-WOJBJXKFSA-N 0 0 468.619 4.291 50 0 JIAARN COc1ccc(CCN2C(=O)N(c3cccc(C)c3)C(=O)[C@H]2CC(=O)Nc2ccccc2)cc1 ZINC000020324371 555772307 /nfs/dbraw/zinc/77/23/07/555772307.db2.gz PLLIAAHCEUUQPP-XMMPIXPASA-N 0 0 457.530 4.412 50 0 JIAARN Cc1ccccc1SCC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000011325134 555772531 /nfs/dbraw/zinc/77/25/31/555772531.db2.gz KIECCYUKWKEFGV-UHFFFAOYSA-N 0 0 470.572 4.298 50 0 JIAARN CCOc1ccccc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000011325444 555772850 /nfs/dbraw/zinc/77/28/50/555772850.db2.gz FJOJJMUHCKHZTD-UHFFFAOYSA-N 0 0 468.531 4.300 50 0 JIAARN Clc1ccc(-c2noc3ncnc(N(CCCN4CCOCC4)Cc4ccco4)c32)cc1 ZINC000020330078 555775512 /nfs/dbraw/zinc/77/55/12/555775512.db2.gz LIXOHHFECZGNOR-UHFFFAOYSA-N 0 0 453.930 4.260 50 0 JIAARN C[C@H](c1nnc(SCC(=O)NCc2cccs2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000011416200 555779067 /nfs/dbraw/zinc/77/90/67/555779067.db2.gz RVQSPNASGBKKIX-MRXNPFEDSA-N 0 0 459.616 4.423 50 0 JIAARN O=C(NCCCc1nc2ccccc2[nH]1)C1CCC(C(=O)NCCCc2nc3ccccc3[nH]2)CC1 ZINC000011486326 555783795 /nfs/dbraw/zinc/78/37/95/555783795.db2.gz JAWLOFIKFHBNTQ-UHFFFAOYSA-N 0 0 486.620 4.043 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1 ZINC000011524009 555785649 /nfs/dbraw/zinc/78/56/49/555785649.db2.gz ZGJTUKJSAHPYOE-UHFFFAOYSA-N 0 0 458.609 4.179 50 0 JIAARN Cc1nc(CSc2ccccc2C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1 ZINC000011596552 555789293 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JIAARN CC(C)c1ccc(NC(=O)Cn2nc(-c3ccccc3)c3sc(N4CCOCC4)nc3c2=O)cc1 ZINC000011666245 555796538 /nfs/dbraw/zinc/79/65/38/555796538.db2.gz ZHRYKDQCHLEYAV-UHFFFAOYSA-N 0 0 489.601 4.119 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)[C@H](Cc3ccccc3)N3Cc4ccccc4C3=O)CC2)c1 ZINC000020531182 555798841 /nfs/dbraw/zinc/79/88/41/555798841.db2.gz MIBVRHWNZXPBIT-MHZLTWQESA-N 0 0 453.586 4.219 50 0 JIAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 ZINC000020531666 555799336 /nfs/dbraw/zinc/79/93/36/555799336.db2.gz IAMWSJVMVZHCFE-UHFFFAOYSA-N 0 0 474.517 4.396 50 0 JIAARN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccc(Br)s2)o1 ZINC000011695478 555802685 /nfs/dbraw/zinc/80/26/85/555802685.db2.gz SAOWBFNPMUFLJL-UHFFFAOYSA-N 0 0 490.788 4.407 50 0 JIAARN CCCS(=O)(=O)N1CC(=O)N(c2cc(Cl)ccc2C)[C@@](C)(C(=O)NC2CCCCCCC2)C1 ZINC000020532547 555802956 /nfs/dbraw/zinc/80/29/56/555802956.db2.gz GGFBUQLOVNSWPX-XMMPIXPASA-N 0 0 498.089 4.025 50 0 JIAARN CCCS(=O)(=O)N1CC(=O)N(c2cc(Cl)ccc2C)[C@](C)(C(=O)NC2CCCCCCC2)C1 ZINC000020532548 555803041 /nfs/dbraw/zinc/80/30/41/555803041.db2.gz GGFBUQLOVNSWPX-DEOSSOPVSA-N 0 0 498.089 4.025 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)N3CCc4ccccc4C3)c12 ZINC000011696189 555803855 /nfs/dbraw/zinc/80/38/55/555803855.db2.gz FSTFXTJDSYVECI-LJQANCHMSA-N 0 0 492.626 4.026 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)N3CCc4ccccc43)c12 ZINC000011696240 555804194 /nfs/dbraw/zinc/80/41/94/555804194.db2.gz VMGWGEWVCFXJHC-KRWDZBQOSA-N 0 0 478.599 4.031 50 0 JIAARN COC(=O)c1cccc(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1C ZINC000014399019 555804559 /nfs/dbraw/zinc/80/45/59/555804559.db2.gz YVMPFHRXAARRMV-UHFFFAOYSA-N 0 0 473.378 4.273 50 0 JIAARN CCCCCn1nc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)c2ccccc2c1=O ZINC000011751336 555808596 /nfs/dbraw/zinc/80/85/96/555808596.db2.gz OCAOXJZOBAWRCZ-UHFFFAOYSA-N 0 0 450.520 4.220 50 0 JIAARN COc1cccc(CN2C(=O)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2cc(OC)cc(OC)c2)c1 ZINC000020559240 555810413 /nfs/dbraw/zinc/81/04/13/555810413.db2.gz DCZFTXAAALGTFW-XMMPIXPASA-N 0 0 489.528 4.079 50 0 JIAARN COc1cc(NC(=O)C[C@H](c2ccc(OC)c(OC)c2)N2Cc3ccccc3C2=O)cc(OC)c1 ZINC000020561073 555811612 /nfs/dbraw/zinc/81/16/12/555811612.db2.gz RZVPQSMXORHDDD-HSZRJFAPSA-N 0 0 476.529 4.447 50 0 JIAARN CCc1c(C)sc2nc(SCC(=O)N3CCCC[C@H]3CC)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000011772346 555812099 /nfs/dbraw/zinc/81/20/99/555812099.db2.gz HRLDVFWYIHSPNL-SJORKVTESA-N 0 0 463.669 4.391 50 0 JIAARN COc1cc([C@@H](CC(=O)N2CCc3ccccc32)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561516 555812360 /nfs/dbraw/zinc/81/23/60/555812360.db2.gz WUYWYBGQBDDUJF-HSZRJFAPSA-N 0 0 472.541 4.389 50 0 JIAARN C[C@@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000011775283 555812460 /nfs/dbraw/zinc/81/24/60/555812460.db2.gz QSFKFVYCBRULLS-KWJFTMPMSA-N 0 0 476.547 4.081 50 0 JIAARN COc1ccccc1CNC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000020561652 555812684 /nfs/dbraw/zinc/81/26/84/555812684.db2.gz BOUUESYSEXIPFM-QFIPXVFZSA-N 0 0 490.556 4.125 50 0 JIAARN CN1C(=O)C[C@](CC(=O)N2CCC[C@H]2c2nccs2)(c2ccc(-c3ccccc3)cc2)C1=O ZINC000011782536 555813070 /nfs/dbraw/zinc/81/30/70/555813070.db2.gz ZKDJVFYJFAZHMA-LVXARBLLSA-N 0 0 459.571 4.190 50 0 JIAARN COc1ccc(-n2c(CCNC(=O)C3(c4ccc(Cl)cc4)CCC3)nnc2SC)cc1 ZINC000011782777 555813715 /nfs/dbraw/zinc/81/37/15/555813715.db2.gz BUKUHZOPCMTKRF-UHFFFAOYSA-N 0 0 456.999 4.432 50 0 JIAARN COc1ccccc1OC1CCN(C(=O)C2CCN(c3nc(C)c4cc(F)ccc4n3)CC2)CC1 ZINC000011783630 555814587 /nfs/dbraw/zinc/81/45/87/555814587.db2.gz ACHMUNRVLRKVDB-UHFFFAOYSA-N 0 0 478.568 4.372 50 0 JIAARN CC[C@H](C(=O)NCCc1ccc(Cl)cc1)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563735 555815780 /nfs/dbraw/zinc/81/57/80/555815780.db2.gz RVSKANZZLHBYHM-JOCHJYFZSA-N 0 0 477.996 4.471 50 0 JIAARN COc1ccc(-n2nc3c(c2C)c(C)nnc3N2CCC[C@@H](C(=O)NCc3ccccc3F)C2)cc1 ZINC000020564568 555818256 /nfs/dbraw/zinc/81/82/56/555818256.db2.gz KTNGDRCZDNNWHR-HXUWFJFHSA-N 0 0 488.567 4.113 50 0 JIAARN COc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C)c4c(C)n(-c5ccccc5)nc43)C2)cc1OC ZINC000020564742 555818867 /nfs/dbraw/zinc/81/88/67/555818867.db2.gz FRRDUKLAZXOLCE-IBGZPJMESA-N 0 0 486.576 4.305 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C2CC2)CC1 ZINC000011786553 555819991 /nfs/dbraw/zinc/81/99/91/555819991.db2.gz DPHBPZJIKGSULY-UHFFFAOYSA-N 0 0 486.601 4.239 50 0 JIAARN COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000020568940 555822699 /nfs/dbraw/zinc/82/26/99/555822699.db2.gz NRIIBVMDBJLAMR-OWXSRONMSA-N 0 0 499.567 4.022 50 0 JIAARN COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)c4cccnc4C)c(C)o3)cc2)o1 ZINC000011788857 555823186 /nfs/dbraw/zinc/82/31/86/555823186.db2.gz WHIWBVGBBMUPHN-UHFFFAOYSA-N 0 0 460.490 4.275 50 0 JIAARN CCO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)c1n[nH]c3ccccc31)CC2 ZINC000011789587 555824608 /nfs/dbraw/zinc/82/46/08/555824608.db2.gz ITVYGPYBPJIGJL-RSXGOPAZSA-N 0 0 495.583 4.022 50 0 JIAARN COCC(=O)Nc1cc2ncn(Cc3ccc(F)cc3)c2c(C(=O)NC2CCCCCC2)c1 ZINC000011789997 555825265 /nfs/dbraw/zinc/82/52/65/555825265.db2.gz LJLKYRNTBVKYFL-UHFFFAOYSA-N 0 0 452.530 4.261 50 0 JIAARN CCn1c(-c2ccccc2F)nc2cc(C(=O)N[C@@H](C)c3cn(C)nc3C)cc(NC(C)=O)c21 ZINC000011790128 555825658 /nfs/dbraw/zinc/82/56/58/555825658.db2.gz AYRPDTXBNUAFPP-AWEZNQCLSA-N 0 0 462.529 4.354 50 0 JIAARN O=C(CN1c2ccccc2[C@@]2(SCC(=O)N2c2ccccc2)C1=O)Nc1cccc(Cl)c1 ZINC000020573852 555825937 /nfs/dbraw/zinc/82/59/37/555825937.db2.gz MYVVXSIMBDUDBB-XMMPIXPASA-N 0 0 463.946 4.258 50 0 JIAARN Cc1ncc2c(c1CNC(=O)c1ccc3c(c1)OCO3)CCN(C(=O)c1c(F)cccc1Cl)C2 ZINC000011790561 555826620 /nfs/dbraw/zinc/82/66/20/555826620.db2.gz PVKFFKZURDCSFB-UHFFFAOYSA-N 0 0 481.911 4.040 50 0 JIAARN Cc1occc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)C2 ZINC000011790650 555826905 /nfs/dbraw/zinc/82/69/05/555826905.db2.gz BTBATPNALSIUBS-QGZVFWFLSA-N 0 0 467.953 4.227 50 0 JIAARN Cc1ccc(C)c(NC(=O)CN2c3ccccc3[C@@]3(SCC(=O)N3c3cccc(F)c3)C2=O)c1 ZINC000020574016 555827090 /nfs/dbraw/zinc/82/70/90/555827090.db2.gz POVGWMXPNOVELF-AREMUKBSSA-N 0 0 475.545 4.361 50 0 JIAARN O=C(CN1C(=O)[C@]2(SCC(=O)N2c2ccc(F)cc2)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000020574074 555827323 /nfs/dbraw/zinc/82/73/23/555827323.db2.gz ZLSZTQGKGHCLTM-XMMPIXPASA-N 0 0 481.936 4.397 50 0 JIAARN O=C(CN1C(=O)[C@]2(SCC(=O)N2c2cccc(Cl)c2)c2ccccc21)Nc1ccccc1F ZINC000020574135 555827612 /nfs/dbraw/zinc/82/76/12/555827612.db2.gz MHVXEYAOKXOGIL-XMMPIXPASA-N 0 0 481.936 4.397 50 0 JIAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CC(=O)Nc2ccc(F)cc2)C3=O)cc1C ZINC000020574157 555827902 /nfs/dbraw/zinc/82/79/02/555827902.db2.gz HZFHKZBMCIDMSY-AREMUKBSSA-N 0 0 475.545 4.361 50 0 JIAARN Nn1c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1cc(Cl)ccc1Cl ZINC000011807341 555828148 /nfs/dbraw/zinc/82/81/48/555828148.db2.gz HQBKFQNBLBRAKE-MRXNPFEDSA-N 0 0 452.342 4.217 50 0 JIAARN Cc1ccoc1C(=O)N1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000011814620 555829884 /nfs/dbraw/zinc/82/98/84/555829884.db2.gz YAHFGLOKNWZECZ-OAQYLSRUSA-N 0 0 463.582 4.012 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c43)C2)c1 ZINC000020575302 555830463 /nfs/dbraw/zinc/83/04/63/555830463.db2.gz FFZVAPNPWPWWEF-SFHVURJKSA-N 0 0 489.507 4.456 50 0 JIAARN Cn1c2ccc3ccccc3c2s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000011852837 555836073 /nfs/dbraw/zinc/83/60/73/555836073.db2.gz JTSBVFOTLLFLLF-OCOZRVBESA-N 0 0 465.600 4.309 50 0 JIAARN CCOC(=O)COc1ccc2c(c1)oc(=O)cc2-c1cc2cc(Br)ccc2oc1=O ZINC000011865101 555839678 /nfs/dbraw/zinc/83/96/78/555839678.db2.gz NVBHGIRBQMUFGB-UHFFFAOYSA-N 0 0 471.259 4.271 50 0 JIAARN Cc1c2c(nn1-c1ccccc1)c(N1CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC1)nnc2C ZINC000020597902 555839893 /nfs/dbraw/zinc/83/98/93/555839893.db2.gz UACZFTOUQXDCNR-UHFFFAOYSA-N 0 0 485.636 4.233 50 0 JIAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)c(F)c2)NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000014868358 555840539 /nfs/dbraw/zinc/84/05/39/555840539.db2.gz RREOIAMEULEPLO-OAQYLSRUSA-N 0 0 460.502 4.397 50 0 JIAARN COc1ccccc1COc1ccc2c(C)c(CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(=O)oc2c1 ZINC000011867094 555843953 /nfs/dbraw/zinc/84/39/53/555843953.db2.gz INJWYKXINWTLFR-KCWXNJEJSA-N 0 0 491.584 4.385 50 0 biogenic JIAARN COc1cc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc(OC)c1OC ZINC000020604125 555844650 /nfs/dbraw/zinc/84/46/50/555844650.db2.gz ZYPABBPKIKWMOX-OAQYLSRUSA-N 0 0 493.578 4.166 50 0 JIAARN COCc1c(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)cc(C)n1Cc1cccc2ccccc21 ZINC000011869313 555845928 /nfs/dbraw/zinc/84/59/28/555845928.db2.gz IBONFRYVMVHAJE-UHFFFAOYSA-N 0 0 486.568 4.452 50 0 JIAARN Cc1c(C(=O)NCc2ccc(Cl)cc2)sc2ncnc(NCCCN3CCCC3=O)c12 ZINC000015001201 555846101 /nfs/dbraw/zinc/84/61/01/555846101.db2.gz KGJPYOBOUOGGFE-UHFFFAOYSA-N 0 0 457.987 4.008 50 0 JIAARN COc1cccc(-c2cnc(C(F)(F)F)nc2C2CCN(C(=O)CCn3ccc(C)n3)CC2)c1 ZINC000011869756 555846302 /nfs/dbraw/zinc/84/63/02/555846302.db2.gz SGGJDDKNUDKSEX-UHFFFAOYSA-N 0 0 473.499 4.472 50 0 JIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCCCOc3ccccc3)c(Br)c2)S1 ZINC000020895995 555848742 /nfs/dbraw/zinc/84/87/42/555848742.db2.gz AHRJVAARBVMPCG-FQEVSTJZSA-N 0 0 492.395 4.298 50 0 JIAARN CCc1ccccc1OCCOc1ccc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc1Cl ZINC000020896007 555848761 /nfs/dbraw/zinc/84/87/61/555848761.db2.gz NLQYZSZBRRXIFT-OAQYLSRUSA-N 0 0 461.971 4.361 50 0 JIAARN CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4nc(C(C)C)sc4n3)c2)cc1 ZINC000021016780 555849171 /nfs/dbraw/zinc/84/91/71/555849171.db2.gz ISTMYVOUDAFTMW-UHFFFAOYSA-N 0 0 492.557 4.282 50 0 JIAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)N1CCc2ccccc2C1 ZINC000021130008 555849884 /nfs/dbraw/zinc/84/98/84/555849884.db2.gz LSDGXEHLQGKZLF-VAWYXSNFSA-N 0 0 463.965 4.343 50 0 JIAARN Cc1c(NC(=O)CSc2nnc3cc(C)c4cccc(C)c4n32)c(=O)n(-c2ccccc2)n1C ZINC000011903210 555852054 /nfs/dbraw/zinc/85/20/54/555852054.db2.gz SBCSIKNQRRARSR-UHFFFAOYSA-N 0 0 472.574 4.028 50 0 JIAARN C[C@]1(C2CCN(Cc3c(F)cccc3Cl)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O ZINC000011908906 555855662 /nfs/dbraw/zinc/85/56/62/555855662.db2.gz DRUCGJYLGYRFGU-RUZDIDTESA-N 0 0 455.961 4.169 50 0 JIAARN COc1ccc(OC)c(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)nc(C)n3)CC2)c1 ZINC000021795364 555856338 /nfs/dbraw/zinc/85/63/38/555856338.db2.gz IWEKXKRRWKXRHM-UHFFFAOYSA-N 0 0 462.554 4.208 50 0 JIAARN Cc1nnc(SCCNC(=O)c2ccc(-n3cc(NC(=O)c4ccc(C)cc4C)cn3)cc2)s1 ZINC000011909926 555856972 /nfs/dbraw/zinc/85/69/72/555856972.db2.gz DFZRXPPGADASQH-UHFFFAOYSA-N 0 0 492.630 4.423 50 0 JIAARN CSCCNC(=O)c1sc2ncnc(NCC3(c4ccccc4)CCOCC3)c2c1C ZINC000011909891 555857018 /nfs/dbraw/zinc/85/70/18/555857018.db2.gz FGAOUANFADXQIH-UHFFFAOYSA-N 0 0 456.637 4.253 50 0 JIAARN CCS(=O)(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCCC2)CC1 ZINC000021975692 555858535 /nfs/dbraw/zinc/85/85/35/555858535.db2.gz AONKGTWBUPNNPZ-UHFFFAOYSA-N 0 0 461.550 4.086 50 0 JIAARN Cc1cc(C)cc(OCc2nnc(SCc3nc4sc5c(c4c(N)n3)CCCCC5)n2N)c1 ZINC000021998140 555860552 /nfs/dbraw/zinc/86/05/52/555860552.db2.gz QTDBSNCDZLCKRH-UHFFFAOYSA-N 0 0 481.651 4.336 50 0 JIAARN O=C(COC(=O)c1cc2sc3ccccc3c2s1)NCc1ccccc1CN1CCOCC1 ZINC000022000211 555860909 /nfs/dbraw/zinc/86/09/09/555860909.db2.gz KZTUPZBRJMAVDP-UHFFFAOYSA-N 0 0 480.611 4.421 50 0 JIAARN CCn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000015019807 555862831 /nfs/dbraw/zinc/86/28/31/555862831.db2.gz NWVUTDDCGMBKBU-UHFFFAOYSA-N 0 0 495.630 4.148 50 0 JIAARN COc1ccc(C(=O)N(Cc2ccc(-c3ccc(Cl)cc3)o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011913936 555864029 /nfs/dbraw/zinc/86/40/29/555864029.db2.gz HQKGIMIDMYHZRF-LJQANCHMSA-N 0 0 459.951 4.438 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)c1nn(-c3cccc(Cl)c3)ccc1=O)CCCC2 ZINC000011913923 555864126 /nfs/dbraw/zinc/86/41/26/555864126.db2.gz RKOFWYOUTZQIBD-UHFFFAOYSA-N 0 0 457.939 4.255 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)c2cccc3cccnc32)cc1 ZINC000022033101 555864836 /nfs/dbraw/zinc/86/48/36/555864836.db2.gz BKBZYWGXTUIIGN-UHFFFAOYSA-N 0 0 459.571 4.097 50 0 JIAARN COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)no2)cc1 ZINC000011915056 555865859 /nfs/dbraw/zinc/86/58/59/555865859.db2.gz CWLBRNUANBFFKB-UHFFFAOYSA-N 0 0 463.515 4.428 50 0 JIAARN COc1cccc(C[C@@]2(CCC(=O)N3CCC(Oc4ccccc4Cl)CC3)CCC(=O)N2)c1 ZINC000015067881 555867843 /nfs/dbraw/zinc/86/78/43/555867843.db2.gz CBGDPJSEKSRMIZ-SANMLTNESA-N 0 0 470.997 4.390 50 0 JIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)no2)cc1F ZINC000011916910 555867897 /nfs/dbraw/zinc/86/78/97/555867897.db2.gz OSOKWOLHZGLLMK-HNNXBMFYSA-N 0 0 457.527 4.462 50 0 JIAARN Cc1ncc2c(c1CNC(=O)/C=C/c1ccccc1)CCN(C(=O)c1ccc(N3CCCC3=O)cc1)C2 ZINC000015072043 555871229 /nfs/dbraw/zinc/87/12/29/555871229.db2.gz BEJJEKPLYAZEME-NTEUORMPSA-N 0 0 494.595 4.045 50 0 JIAARN COc1cc2c(cc1NC(=O)CCS(=O)(=O)c1ccc3c(c1)OCCO3)oc1ccccc12 ZINC000015081249 555872712 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CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3COc4ccc(Cl)cc4C3)n2)cc1 ZINC000012548476 556026467 /nfs/dbraw/zinc/02/64/67/556026467.db2.gz NVJAXEDEBMWRRB-AWEZNQCLSA-N 0 0 463.968 4.025 50 0 JIAARN COc1ccccc1N1CCN([C@@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000023182138 556028318 /nfs/dbraw/zinc/02/83/18/556028318.db2.gz JYIHYNKMUQPQIY-HOYKHHGWSA-N 0 0 489.638 4.126 50 0 JIAARN O=C(CSc1nc(-c2ccccc2)cs1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000012550012 556030730 /nfs/dbraw/zinc/03/07/30/556030730.db2.gz ZAPOXBANZXJLQL-IBGZPJMESA-N 0 0 458.630 4.118 50 0 JIAARN CCCCc1ccc(Nc2nnc(SCC(=O)NC3CCN(C(=O)OCC)CC3)s2)cc1 ZINC000012550907 556032462 /nfs/dbraw/zinc/03/24/62/556032462.db2.gz YAINVWGXQAGZOS-UHFFFAOYSA-N 0 0 477.656 4.454 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)cc2)cc1C ZINC000012552558 556035599 /nfs/dbraw/zinc/03/55/99/556035599.db2.gz GSQBLYKBKJKFTN-UHFFFAOYSA-N 0 0 466.559 4.148 50 0 JIAARN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 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RRPNDQZOBMJQTO-AREMUKBSSA-N 0 0 495.583 4.160 50 0 JIAARN C[C@H](Sc1nc2sccc2c(=O)n1-c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012555555 556040995 /nfs/dbraw/zinc/04/09/95/556040995.db2.gz FBGPMQIBDDRDDI-KRWDZBQOSA-N 0 0 492.626 4.403 50 0 JIAARN CCCCOC(=O)[C@@H](C)Sc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C[C@H]1CCCO1 ZINC000023328207 556041961 /nfs/dbraw/zinc/04/19/61/556041961.db2.gz STBMXNCHSICOHA-QZTJIDSGSA-N 0 0 497.683 4.070 50 0 JIAARN O=C(NCc1cn2cc(Cl)ccc2n1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000012556867 556043563 /nfs/dbraw/zinc/04/35/63/556043563.db2.gz WVGHWYKSTDHQJB-UHFFFAOYSA-N 0 0 481.405 4.136 50 0 JIAARN CCCCn1c(C)c(C)nc1SCC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 ZINC000012556856 556043591 /nfs/dbraw/zinc/04/35/91/556043591.db2.gz GOBBMMXZSIDQBN-UHFFFAOYSA-N 0 0 494.683 4.214 50 0 JIAARN CSc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3C)C2)c1 ZINC000015866179 556043637 /nfs/dbraw/zinc/04/36/37/556043637.db2.gz HFPRKVHIWOPPKP-GOSISDBHSA-N 0 0 486.619 4.115 50 0 JIAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)ccc1OC(C)C ZINC000015867975 556044195 /nfs/dbraw/zinc/04/41/95/556044195.db2.gz MTMULNBVWPPWLN-LJQANCHMSA-N 0 0 470.533 4.303 50 0 JIAARN CCCOc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)ccc1OC ZINC000015868010 556044468 /nfs/dbraw/zinc/04/44/68/556044468.db2.gz LGCCFFQGCVGWQB-IBGZPJMESA-N 0 0 488.523 4.443 50 0 JIAARN COc1cc(C(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc(OC)c1OC ZINC000023336201 556045821 /nfs/dbraw/zinc/04/58/21/556045821.db2.gz ZQFLBJWJXDKSPV-UHFFFAOYSA-N 0 0 457.914 4.436 50 0 JIAARN CCCCOCCCNC(=O)c1ccc(-n2nc(-c3nnc(C)o3)c(Br)c2C)cc1 ZINC000023336802 556046926 /nfs/dbraw/zinc/04/69/26/556046926.db2.gz IYXGPRXWNANXIX-UHFFFAOYSA-N 0 0 476.375 4.238 50 0 JIAARN CC(=O)N(c1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cs1)c1ccccc1F ZINC000023354426 556048396 /nfs/dbraw/zinc/04/83/96/556048396.db2.gz SIXBQYXKHRBCOF-UHFFFAOYSA-N 0 0 468.554 4.013 50 0 JIAARN O=C(Cn1cnc2ccccc2c1=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000023359751 556048825 /nfs/dbraw/zinc/04/88/25/556048825.db2.gz JCEHBVAZLNNXSL-QFIPXVFZSA-N 0 0 477.446 4.197 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1 ZINC000015870163 556049750 /nfs/dbraw/zinc/04/97/50/556049750.db2.gz RFQPKPMGSZSGCB-UHFFFAOYSA-N 0 0 466.544 4.308 50 0 JIAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000023389249 556051293 /nfs/dbraw/zinc/05/12/93/556051293.db2.gz ZJLPPDVDPAEISL-UHFFFAOYSA-N 0 0 452.511 4.220 50 0 JIAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000012560674 556053062 /nfs/dbraw/zinc/05/30/62/556053062.db2.gz PSDXUJUSBHQKGM-UHFFFAOYSA-N 0 0 464.421 4.487 50 0 JIAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 ZINC000015881789 556054069 /nfs/dbraw/zinc/05/40/69/556054069.db2.gz TYINKCRMXPKQCU-UHFFFAOYSA-N 0 0 496.589 4.462 50 0 JIAARN Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc21 ZINC000015881796 556054132 /nfs/dbraw/zinc/05/41/32/556054132.db2.gz XXJAPLOOVBAUAM-UHFFFAOYSA-N 0 0 466.588 4.097 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000023427264 556054351 /nfs/dbraw/zinc/05/43/51/556054351.db2.gz VGEHRDQUGZCWRX-HNNXBMFYSA-N 0 0 466.987 4.023 50 0 JIAARN CCN(Cn1nc(-c2ccc(C)cc2)n(-c2ccc(Cl)cc2)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012561323 556054501 /nfs/dbraw/zinc/05/45/01/556054501.db2.gz JBOXJOAKDUTKDQ-HXUWFJFHSA-N 0 0 477.055 4.499 50 0 JIAARN COc1ccc(-c2nc3sc(CCNC(=O)C(=O)Nc4ccc(C)c(Cl)c4)c(C)n3n2)cc1 ZINC000015882132 556055241 /nfs/dbraw/zinc/05/52/41/556055241.db2.gz QNNMKGROFUJPOV-UHFFFAOYSA-N 0 0 483.981 4.034 50 0 JIAARN O=C(Nc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000012561975 556055965 /nfs/dbraw/zinc/05/59/65/556055965.db2.gz LPFNJXUSNKUEFL-UHFFFAOYSA-N 0 0 469.994 4.099 50 0 JIAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)c4cccc(Br)c4)CC3)nn2)cc1 ZINC000015882375 556056283 /nfs/dbraw/zinc/05/62/83/556056283.db2.gz USQWNFJMQCVZEC-UHFFFAOYSA-N 0 0 452.356 4.254 50 0 JIAARN CNC(=O)[C@@H]1Cc2ccccc2CN1Cn1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1=S ZINC000012562478 556056741 /nfs/dbraw/zinc/05/67/41/556056741.db2.gz ORMDQCSPRYTWTF-QHCPKHFHSA-N 0 0 491.567 4.479 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ccc(F)cc2)cc1 ZINC000015883929 556059011 /nfs/dbraw/zinc/05/90/11/556059011.db2.gz HLVCWADNKMDJIN-UHFFFAOYSA-N 0 0 470.522 4.104 50 0 JIAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3cccs3)CC2)c2cccc(OC)c2)cc1 ZINC000023439252 556059375 /nfs/dbraw/zinc/05/93/75/556059375.db2.gz XXGYPVHTLBPIDL-XMMPIXPASA-N 0 0 494.613 4.259 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc(-c3ccc(OC)c(OC)c3OC)s2)cc1OC ZINC000023439938 556059879 /nfs/dbraw/zinc/05/98/79/556059879.db2.gz WZJBSJRUYOPLRZ-UHFFFAOYSA-N 0 0 457.548 4.431 50 0 biogenic JIAARN CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000023443269 556061173 /nfs/dbraw/zinc/06/11/73/556061173.db2.gz DTGKRZZZGSBAJM-UHFFFAOYSA-N 0 0 473.360 4.384 50 0 JIAARN CCOc1ccc(CCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1OCC ZINC000015897375 556061973 /nfs/dbraw/zinc/06/19/73/556061973.db2.gz YTKWAHFZXXPFSI-UHFFFAOYSA-N 0 0 486.565 4.396 50 0 JIAARN COc1ccc([C@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]4C2=O)cc1 ZINC000015905550 556062803 /nfs/dbraw/zinc/06/28/03/556062803.db2.gz HTWWWPYOFJLLQZ-AIIGYZBCSA-N 0 0 488.462 4.076 50 0 JIAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012567629 556067072 /nfs/dbraw/zinc/06/70/72/556067072.db2.gz WKUYZWAEOKXIJR-QGZVFWFLSA-N 0 0 461.634 4.049 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000015922151 556069451 /nfs/dbraw/zinc/06/94/51/556069451.db2.gz MCAYFWLNBVSAOQ-HSZRJFAPSA-N 0 0 470.978 4.493 50 0 JIAARN O=C(NCc1cccs1)c1cccnc1N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000023460303 556071783 /nfs/dbraw/zinc/07/17/83/556071783.db2.gz NTQYVDFXAZBWFD-UHFFFAOYSA-N 0 0 456.571 4.189 50 0 JIAARN CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(C)cc2)S3)CC1 ZINC000015935221 556072909 /nfs/dbraw/zinc/07/29/09/556072909.db2.gz OSKKANJEIRTMHP-HYARGMPZSA-N 0 0 450.560 4.496 50 0 JIAARN Cc1cccc(N2CCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)CC2)c1C ZINC000015936537 556074116 /nfs/dbraw/zinc/07/41/16/556074116.db2.gz LRUHKXOGHFFZSW-UHFFFAOYSA-N 0 0 464.635 4.353 50 0 JIAARN Cc1ccc2nc(CSc3nnc(-c4c[nH]c5ccccc54)n3C[C@H]3CCCO3)cc(=O)n2c1 ZINC000023516898 556076675 /nfs/dbraw/zinc/07/66/75/556076675.db2.gz KPWLKQMOLADVIT-GOSISDBHSA-N 0 0 472.574 4.214 50 0 JIAARN C[C@H](Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000023561708 556078840 /nfs/dbraw/zinc/07/88/40/556078840.db2.gz BDYQWXCAFNXTRU-JTQLQIEISA-N 0 0 491.495 4.243 50 0 JIAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC000012581554 556079389 /nfs/dbraw/zinc/07/93/89/556079389.db2.gz XSQOEECQUHRLER-HHHXNRCGSA-N 0 0 471.513 4.067 50 0 JIAARN O=S(=O)(c1ccc(Cl)cc1)N(c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(F)F ZINC000012583221 556080394 /nfs/dbraw/zinc/08/03/94/556080394.db2.gz KRVFIOXVKQHQFP-UHFFFAOYSA-N 0 0 478.970 4.323 50 0 JIAARN Cn1ccnc1[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1cccc(F)c1 ZINC000012582911 556080436 /nfs/dbraw/zinc/08/04/36/556080436.db2.gz IYLYCSZMMOXURV-SFHVURJKSA-N 0 0 452.711 4.260 50 0 JIAARN Cc1ccc(NC(=O)[C@H](Nc2ccc(NC(=O)CN3CCOCC3)cc2)c2ccccc2)cc1 ZINC000023627542 556080731 /nfs/dbraw/zinc/08/07/31/556080731.db2.gz AACYIMVQQOUSBL-AREMUKBSSA-N 0 0 458.562 4.058 50 0 JIAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000012585353 556082988 /nfs/dbraw/zinc/08/29/88/556082988.db2.gz SSQSTDOTXNTEIG-UHFFFAOYSA-N 0 0 489.523 4.353 50 0 JIAARN Cc1ccc(Br)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCC3)c2)c1 ZINC000012585425 556083047 /nfs/dbraw/zinc/08/30/47/556083047.db2.gz MTUKDRUFLDXFSS-UHFFFAOYSA-N 0 0 457.777 4.448 50 0 JIAARN COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)n2)c(OC)c1 ZINC000023687896 556083182 /nfs/dbraw/zinc/08/31/82/556083182.db2.gz ZFZFBHGBPBFTSA-HXUWFJFHSA-N 0 0 487.603 4.009 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NC(=O)CN1CCOCC1)C[C@@H](C)CC2 ZINC000015946851 556083958 /nfs/dbraw/zinc/08/39/58/556083958.db2.gz WEOGDHHDXIXTQH-AWEZNQCLSA-N 0 0 478.014 4.058 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NC(=O)CN1CCOCC1)C[C@H](C)CC2 ZINC000015946853 556084032 /nfs/dbraw/zinc/08/40/32/556084032.db2.gz WEOGDHHDXIXTQH-CQSZACIVSA-N 0 0 478.014 4.058 50 0 JIAARN O=C(c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000012589155 556085720 /nfs/dbraw/zinc/08/57/20/556085720.db2.gz ZBDQVQOHRKGHLS-SANMLTNESA-N 0 0 489.641 4.045 50 0 JIAARN COc1cc([C@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2Cc2ccco2)cc(OC)c1OC ZINC000015952304 556086777 /nfs/dbraw/zinc/08/67/77/556086777.db2.gz BFTYJUNPPDVAFH-QHCPKHFHSA-N 0 0 461.474 4.147 50 0 JIAARN COc1ccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000015951328 556086891 /nfs/dbraw/zinc/08/68/91/556086891.db2.gz MIQRRVAJXSQNSH-HZPDHXFCSA-N 0 0 484.574 4.029 50 0 JIAARN O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012590742 556086987 /nfs/dbraw/zinc/08/69/87/556086987.db2.gz JQGSSHQAJJYIKL-HSZRJFAPSA-N 0 0 451.526 4.185 50 0 JIAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000023745629 556087191 /nfs/dbraw/zinc/08/71/91/556087191.db2.gz DUOZSPXKIBASAK-FQEVSTJZSA-N 0 0 465.579 4.137 50 0 JIAARN Cc1oc2cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc2c(=O)c1Oc1ccccc1 ZINC000015954082 556087792 /nfs/dbraw/zinc/08/77/92/556087792.db2.gz ZULAYDAUCPJFTB-WINIVTDRSA-N 0 0 463.530 4.426 50 0 biogenic JIAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N4CC[C@@]5(O)CCCC[C@@H]5C4)ccc32)cc1 ZINC000015954974 556088115 /nfs/dbraw/zinc/08/81/15/556088115.db2.gz ZWZJBKQPQGHQFE-WINIVTDRSA-N 0 0 463.530 4.001 50 0 biogenic JIAARN COc1ccc2c(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc(=O)oc2c1 ZINC000023816286 556089401 /nfs/dbraw/zinc/08/94/01/556089401.db2.gz HZHYDJXBTXWSDN-UHFFFAOYSA-N 0 0 453.848 4.191 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CN1C(=O)NC3(CCC(C)CC3)C1=O)CC2 ZINC000023873451 556097514 /nfs/dbraw/zinc/09/75/14/556097514.db2.gz UUJMOULJVRPGQR-YQXBWWBASA-N 0 0 463.578 4.110 50 0 JIAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1=O ZINC000023908344 556099989 /nfs/dbraw/zinc/09/99/89/556099989.db2.gz LZIRCEOXJDOTDZ-RUZDIDTESA-N 0 0 463.921 4.325 50 0 JIAARN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)CC1 ZINC000023919977 556101119 /nfs/dbraw/zinc/10/11/19/556101119.db2.gz ZOFWYFCTGDNCPH-CABCVRRESA-N 0 0 452.605 4.248 50 0 JIAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000023934907 556101521 /nfs/dbraw/zinc/10/15/21/556101521.db2.gz NHGKKQZTJKODLF-GOSISDBHSA-N 0 0 467.664 4.090 50 0 JIAARN O=C(c1cnn2c1nc(-c1ccccc1)cc2C(F)F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000015989361 556102011 /nfs/dbraw/zinc/10/20/11/556102011.db2.gz XOKVAQCOFZYPAN-UHFFFAOYSA-N 0 0 491.498 4.021 50 0 JIAARN O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015996344 556103020 /nfs/dbraw/zinc/10/30/20/556103020.db2.gz NAPWZHSPJUSRDX-FBAVSBLXSA-N 0 0 476.747 4.078 50 0 JIAARN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccs4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000015999269 556104324 /nfs/dbraw/zinc/10/43/24/556104324.db2.gz XVMJVXLULUFIIB-KEZOAJOQSA-N 0 0 468.534 4.349 50 0 JIAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000012785220 556112655 /nfs/dbraw/zinc/11/26/55/556112655.db2.gz SFPRLNXLHLLGJR-IKWICQFUSA-N 0 0 458.002 4.218 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c1 ZINC000016014692 556112709 /nfs/dbraw/zinc/11/27/09/556112709.db2.gz JHYFHLRMUSNYRK-UHFFFAOYSA-N 0 0 488.997 4.225 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc3c(c1)CCCC3)n(C[C@@H]1CCCO1)c2=O ZINC000012799024 556113923 /nfs/dbraw/zinc/11/39/23/556113923.db2.gz AFULWLYYVDGFCB-NRFANRHFSA-N 0 0 492.597 4.216 50 0 JIAARN CC(C)c1ccc(NC(=O)CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC000016024545 556115373 /nfs/dbraw/zinc/11/53/73/556115373.db2.gz RKBIHAQWDWCBHC-JOCHJYFZSA-N 0 0 451.567 4.227 50 0 JIAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(Br)s2)c1C ZINC000024007732 556116278 /nfs/dbraw/zinc/11/62/78/556116278.db2.gz MIQCCYNFWPFHGK-HNNXBMFYSA-N 0 0 451.386 4.387 50 0 JIAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000012857552 556118417 /nfs/dbraw/zinc/11/84/17/556118417.db2.gz OQQPXRFDBDXSIQ-IBGZPJMESA-N 0 0 459.015 4.066 50 0 JIAARN CCCCOCCCN1CC(=O)N2[C@H](c3cccc(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000012860137 556118895 /nfs/dbraw/zinc/11/88/95/556118895.db2.gz VGPIVLDQXQIIHC-RPLLCQBOSA-N 0 0 475.589 4.068 50 0 biogenic JIAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[C@@H](C)c3ccccc3)C2=O)cc1OC ZINC000016039594 556121140 /nfs/dbraw/zinc/12/11/40/556121140.db2.gz HUSFEVICDPBAES-KQRQPNSISA-N 0 0 454.548 4.050 50 0 JIAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000024097265 556121241 /nfs/dbraw/zinc/12/12/41/556121241.db2.gz PTMQFXUBFWLJMA-UHFFFAOYSA-N 0 0 472.010 4.446 50 0 JIAARN COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2cc(OC)ccc2OC)c(OC)c1 ZINC000016042895 556122117 /nfs/dbraw/zinc/12/21/17/556122117.db2.gz YWLMQUYGBUSDIY-PMWMKWCKSA-N 0 0 455.551 4.230 50 0 biogenic JIAARN COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccccc2)cc(OC)c1OC ZINC000016043010 556122505 /nfs/dbraw/zinc/12/25/05/556122505.db2.gz UCEGJTAQUBKYER-OCDQVXHZSA-N 0 0 454.567 4.019 50 0 biogenic JIAARN O=C(CSc1nnc(C2CC2)n1Cc1ccco1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000024140301 556123061 /nfs/dbraw/zinc/12/30/61/556123061.db2.gz DVPGCMLDVXFBHX-UHFFFAOYSA-N 0 0 491.539 4.257 50 0 JIAARN NC(=O)[C@H]1CCCN(C(=O)CSc2ncc(-c3ccccc3)n2-c2cccc(Cl)c2)C1 ZINC000024172214 556125075 /nfs/dbraw/zinc/12/50/75/556125075.db2.gz GJLBISFTVVCEOA-KRWDZBQOSA-N 0 0 454.983 4.009 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3C(=O)N[C@@]4(CCCc5ccccc54)C3=O)[C@@H](c3ccco3)C2)cc1 ZINC000016044968 556125667 /nfs/dbraw/zinc/12/56/67/556125667.db2.gz KMUABLBNRTUQGW-QDPGVEIFSA-N 0 0 482.540 4.049 50 0 JIAARN COCCCN1C(=O)C(=O)C(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000024192998 556126069 /nfs/dbraw/zinc/12/60/69/556126069.db2.gz RHDHIEGREJMHCC-KRWDZBQOSA-N 0 0 456.347 4.157 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)ccc1C ZINC000012907557 556126515 /nfs/dbraw/zinc/12/65/15/556126515.db2.gz UPZJQHJCIVSRKH-UHFFFAOYSA-N 0 0 463.987 4.058 50 0 JIAARN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000024210304 556127004 /nfs/dbraw/zinc/12/70/04/556127004.db2.gz YNBQIUKJPPTTEF-UHFFFAOYSA-N 0 0 469.916 4.414 50 0 JIAARN CCCCN(Cn1nc(-c2ccc(C(C)(C)C)cc2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012908022 556127144 /nfs/dbraw/zinc/12/71/44/556127144.db2.gz XKFIUJFCLAOPKO-LJQANCHMSA-N 0 0 450.674 4.162 50 0 JIAARN CCc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000016162479 556127799 /nfs/dbraw/zinc/12/77/99/556127799.db2.gz YQIJMZGCGKCECW-UHFFFAOYSA-N 0 0 454.548 4.100 50 0 JIAARN Cc1nc2ncnn2c(C)c1CCC(=O)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000024238667 556127892 /nfs/dbraw/zinc/12/78/92/556127892.db2.gz VGRFIEGOQADGKJ-UHFFFAOYSA-N 0 0 453.502 4.248 50 0 JIAARN Cc1ccc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@H]2CCCO2)c(Cl)c1 ZINC000012910517 556129500 /nfs/dbraw/zinc/12/95/00/556129500.db2.gz JCRXKSGEYMJWDS-QGZVFWFLSA-N 0 0 464.035 4.386 50 0 JIAARN COc1cccc([C@@H](CNC(=O)Cc2cn3ccccc3n2)c2c[nH]c3ccccc32)c1OC ZINC000024441749 556131167 /nfs/dbraw/zinc/13/11/67/556131167.db2.gz QKNHALKDHAOZMP-JOCHJYFZSA-N 0 0 454.530 4.324 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)N1CCC[C@H](C)C1)n(CCc1ccccc1)c2=O ZINC000012912777 556131906 /nfs/dbraw/zinc/13/19/06/556131906.db2.gz KFXPXARSRPQNDH-OALUTQOASA-N 0 0 493.629 4.165 50 0 JIAARN O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000012914054 556132925 /nfs/dbraw/zinc/13/29/25/556132925.db2.gz DAMXKPFQRCRQAB-UHFFFAOYSA-N 0 0 482.455 4.251 50 0 JIAARN O=C(O[C@H](c1cc(F)cc(F)c1)C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012915485 556134596 /nfs/dbraw/zinc/13/45/96/556134596.db2.gz IZJONXABAUQBQY-QGZVFWFLSA-N 0 0 499.841 4.100 50 0 JIAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012915860 556135243 /nfs/dbraw/zinc/13/52/43/556135243.db2.gz BOGKYFHLNHVGDF-KBPBESRZSA-N 0 0 496.917 4.382 50 0 JIAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1 ZINC000024611626 556141239 /nfs/dbraw/zinc/14/12/39/556141239.db2.gz XHVDKWLCGXTFBS-UHFFFAOYSA-N 0 0 497.661 4.238 50 0 JIAARN Cc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1I ZINC000012922670 556141317 /nfs/dbraw/zinc/14/13/17/556141317.db2.gz KXGKFSPHNUJUIN-UHFFFAOYSA-N 0 0 466.363 4.261 50 0 JIAARN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ncc(Cc3ccc(OC(F)(F)F)cc3)s1)CS2 ZINC000012923847 556142511 /nfs/dbraw/zinc/14/25/11/556142511.db2.gz HITVRGDCDZQXPK-KBXCAEBGSA-N 0 0 457.499 4.025 50 0 JIAARN COc1cccc(CN(C)C(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)c1OC ZINC000012924487 556142776 /nfs/dbraw/zinc/14/27/76/556142776.db2.gz HVXKMACBTJUJKB-UHFFFAOYSA-N 0 0 454.596 4.200 50 0 JIAARN CCCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(CCC)C1=O ZINC000016570924 556143395 /nfs/dbraw/zinc/14/33/95/556143395.db2.gz KJOFDQXRYCTTDQ-UHFFFAOYSA-O 0 0 486.379 4.272 50 0 JIAARN CCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C1=C([n+]2ccc(C)cc2)C(=O)N(C2CCCCC2)C1=O ZINC000016571075 556143841 /nfs/dbraw/zinc/14/38/41/556143841.db2.gz WARNOXSLPJOEGH-UHFFFAOYSA-O 0 0 491.999 4.459 50 0 JIAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012925712 556143974 /nfs/dbraw/zinc/14/39/74/556143974.db2.gz LVNKZWMBHMXJKB-UHFFFAOYSA-N 0 0 479.602 4.395 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)ccc1F ZINC000012925979 556144317 /nfs/dbraw/zinc/14/43/17/556144317.db2.gz UYJJNOCAPHVOHE-UHFFFAOYSA-N 0 0 499.612 4.484 50 0 JIAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000012928152 556145838 /nfs/dbraw/zinc/14/58/38/556145838.db2.gz PCLYERFIOPKXGN-QFIPXVFZSA-N 0 0 461.008 4.391 50 0 JIAARN CCOc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000016671991 556149985 /nfs/dbraw/zinc/14/99/85/556149985.db2.gz LZMYOPGOVVWQQQ-UHFFFAOYSA-N 0 0 495.439 4.492 50 0 JIAARN O=C(CN1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1C(F)(F)F ZINC000012934080 556150075 /nfs/dbraw/zinc/15/00/75/556150075.db2.gz YGOARSLGVJSBBQ-UHFFFAOYSA-N 0 0 481.902 4.105 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](c3ccc4c(c3)OCCO4)C(F)(F)F)CC2)cc1 ZINC000024762161 556152227 /nfs/dbraw/zinc/15/22/27/556152227.db2.gz IWQYOEOPSDLSFX-NRFANRHFSA-N 0 0 499.507 4.014 50 0 JIAARN Cc1noc(C)c1CSCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C ZINC000024773018 556153903 /nfs/dbraw/zinc/15/39/03/556153903.db2.gz LBYVWSVKGBDADY-UHFFFAOYSA-N 0 0 481.640 4.125 50 0 JIAARN C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Br)c2ccccc2S1 ZINC000012941658 556155050 /nfs/dbraw/zinc/15/50/50/556155050.db2.gz HORZBGXNWUZYBX-CYBMUJFWSA-N 0 0 469.426 4.231 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 ZINC000012943641 556155791 /nfs/dbraw/zinc/15/57/91/556155791.db2.gz QGIGFVLOJJGYGK-JOCHJYFZSA-N 0 0 462.999 4.017 50 0 JIAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1Br ZINC000012943666 556156177 /nfs/dbraw/zinc/15/61/77/556156177.db2.gz OGPUCHJGVWIKTC-UHFFFAOYSA-N 0 0 451.386 4.195 50 0 JIAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCCN1c2ccccc2Sc2ccccc21 ZINC000024823523 556156907 /nfs/dbraw/zinc/15/69/07/556156907.db2.gz DMNSZDAGOONVFK-UHFFFAOYSA-N 0 0 464.591 4.050 50 0 JIAARN CCOC(=O)c1c(C)oc2ncn(Cc3csc(COc4ccc(Cl)cc4)n3)c(=O)c21 ZINC000024828950 556157233 /nfs/dbraw/zinc/15/72/33/556157233.db2.gz UAKGZRLTUBHOKE-UHFFFAOYSA-N 0 0 459.911 4.212 50 0 JIAARN COc1cc(COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc(Cl)c1OC(F)F ZINC000024837307 556159337 /nfs/dbraw/zinc/15/93/37/556159337.db2.gz RHARJFSEVKNKAF-UHFFFAOYSA-N 0 0 475.897 4.092 50 0 JIAARN COc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)ccn3n2)cc1 ZINC000016841993 556163640 /nfs/dbraw/zinc/16/36/40/556163640.db2.gz NOCWQLYCAVMJBG-UHFFFAOYSA-N 0 0 467.407 4.289 50 0 JIAARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccccc1I ZINC000012973203 556164939 /nfs/dbraw/zinc/16/49/39/556164939.db2.gz YSKIOBXRJCOIPP-SFHVURJKSA-N 0 0 478.330 4.228 50 0 JIAARN COc1cccc(-c2nc(CSc3n[nH]c(=O)c4cc(-c5cccs5)nn43)c(C)o2)c1OC ZINC000016844039 556165926 /nfs/dbraw/zinc/16/59/26/556165926.db2.gz LWSLHUUVRCJPIP-UHFFFAOYSA-N 0 0 481.559 4.419 50 0 JIAARN O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(Cc2nc(-c3ccccc3Cl)no2)CC1 ZINC000012974521 556166384 /nfs/dbraw/zinc/16/63/84/556166384.db2.gz QFENAQHGHIZFLE-UHFFFAOYSA-N 0 0 487.796 4.203 50 0 JIAARN COc1cccc(CNC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)c1 ZINC000016844878 556166486 /nfs/dbraw/zinc/16/64/86/556166486.db2.gz HYPLHYZJQHJWBA-UHFFFAOYSA-N 0 0 451.573 4.079 50 0 JIAARN COCCn1c(=O)c2sccc2nc1SCc1nc(-c2ccc(Br)cc2)no1 ZINC000016845799 556167845 /nfs/dbraw/zinc/16/78/45/556167845.db2.gz BHTLTPHGTWVLRU-UHFFFAOYSA-N 0 0 479.381 4.209 50 0 JIAARN C[C@H](NCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1)c1ccc(S(C)(=O)=O)cc1 ZINC000024985082 556169615 /nfs/dbraw/zinc/16/96/15/556169615.db2.gz URPVCNAFVIIMRI-JTSKRJEESA-N 0 0 491.569 4.458 50 0 JIAARN CCOc1cc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)ccc1OCC(C)C ZINC000025009510 556172209 /nfs/dbraw/zinc/17/22/09/556172209.db2.gz SAZHMEFNYZPUFP-UHFFFAOYSA-N 0 0 470.595 4.190 50 0 JIAARN CC(=O)N1CCc2cc(NC(=O)COc3c(Br)cc(C)cc3Br)ccc21 ZINC000012980716 556173999 /nfs/dbraw/zinc/17/39/99/556173999.db2.gz OFEWAACKWPQOJT-UHFFFAOYSA-N 0 0 482.172 4.447 50 0 JIAARN COc1ccc(N(CCC(N)=O)C(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)cc1 ZINC000025051161 556174626 /nfs/dbraw/zinc/17/46/26/556174626.db2.gz RILXYZIMLBCJOY-UHFFFAOYSA-N 0 0 490.585 4.043 50 0 JIAARN O=C(COC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000025051967 556174865 /nfs/dbraw/zinc/17/48/65/556174865.db2.gz LOXYAQJYEXDDNG-DEOSSOPVSA-N 0 0 453.498 4.305 50 0 JIAARN COc1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000016902968 556175023 /nfs/dbraw/zinc/17/50/23/556175023.db2.gz FHYKJZGZHFSWPR-TZIWHRDSSA-N 0 0 457.530 4.005 50 0 JIAARN COc1ccccc1OC[C@@H](O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000016903014 556175047 /nfs/dbraw/zinc/17/50/47/556175047.db2.gz PDEKWRIVJNEVKC-RXVVDRJESA-N 0 0 475.520 4.144 50 0 JIAARN COc1ccccc1OC[C@H](O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000016903057 556175379 /nfs/dbraw/zinc/17/53/79/556175379.db2.gz CQIRJEFNESPONS-IFMALSPDSA-N 0 0 471.557 4.314 50 0 JIAARN Cc1cccc(OC[C@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000016903249 556175666 /nfs/dbraw/zinc/17/56/66/556175666.db2.gz MLVBQNHKCAOAMJ-SIKLNZKXSA-N 0 0 459.521 4.444 50 0 JIAARN Cc1cccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000016903247 556175776 /nfs/dbraw/zinc/17/57/76/556175776.db2.gz MLVBQNHKCAOAMJ-UGKGYDQZSA-N 0 0 459.521 4.444 50 0 JIAARN 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/nfs/dbraw/zinc/18/44/07/556184407.db2.gz MWKBFKPSIFMFDA-UHFFFAOYSA-N 0 0 480.586 4.417 50 0 JIAARN COc1ccc(-c2noc(CCC(=O)Nc3ccccc3C(=O)OCC(=O)C(C)(C)C)n2)cc1 ZINC000012995194 556187385 /nfs/dbraw/zinc/18/73/85/556187385.db2.gz QYVPSCBSYIQPFB-UHFFFAOYSA-N 0 0 465.506 4.089 50 0 JIAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCCN(C)c2nc3ccccc3nc21 ZINC000025148633 556187833 /nfs/dbraw/zinc/18/78/33/556187833.db2.gz HMCUGHKFBYWCMM-UHFFFAOYSA-N 0 0 482.466 4.330 50 0 JIAARN COc1ccc(CN2C(=O)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000016957240 556188251 /nfs/dbraw/zinc/18/82/51/556188251.db2.gz OKFKBIPPSAIDOO-QHCPKHFHSA-N 0 0 459.502 4.070 50 0 JIAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)c1 ZINC000012995929 556188675 /nfs/dbraw/zinc/18/86/75/556188675.db2.gz SBQZZGIFCHLINJ-GDLZYMKVSA-N 0 0 496.567 4.142 50 0 JIAARN O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(I)c1 ZINC000012996471 556189081 /nfs/dbraw/zinc/18/90/81/556189081.db2.gz 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URIHSQLBLVKQCU-UHFFFAOYSA-N 0 0 452.515 4.271 50 0 JIAARN COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4cccc(Br)c4)CC3)n2)cc1 ZINC000017012439 556202455 /nfs/dbraw/zinc/20/24/55/556202455.db2.gz DLDPECOLKRJVNS-UHFFFAOYSA-N 0 0 482.382 4.262 50 0 JIAARN Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3cccc(I)c3)CC2)n1 ZINC000017012495 556202466 /nfs/dbraw/zinc/20/24/66/556202466.db2.gz HKJSDRGAYMNLQX-UHFFFAOYSA-N 0 0 499.356 4.096 50 0 JIAARN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(Nc3ccccc3)n2)CC1 ZINC000017012664 556202834 /nfs/dbraw/zinc/20/28/34/556202834.db2.gz GPJNFVLPTRFEJC-UHFFFAOYSA-N 0 0 495.649 4.346 50 0 JIAARN COc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)n2)cc1 ZINC000017012868 556203052 /nfs/dbraw/zinc/20/30/52/556203052.db2.gz UKHJORXWKKLRND-UHFFFAOYSA-N 0 0 489.601 4.201 50 0 JIAARN CC[S@](=O)c1ccccc1C(=O)OCC(=O)c1cc(C)n(C[C@@H]2COc3ccccc3O2)c1C ZINC000025256511 556206474 /nfs/dbraw/zinc/20/64/74/556206474.db2.gz WPTDIYWAQCHUNO-TYFQNXAESA-N 0 0 481.570 4.112 50 0 JIAARN 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556212488 /nfs/dbraw/zinc/21/24/88/556212488.db2.gz IYPNJOZAEQBWMQ-GOSISDBHSA-N 0 0 478.330 4.228 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1cccc[n+]1[O-])CN(Cc1ccccc1)CC2 ZINC000025398345 556213704 /nfs/dbraw/zinc/21/37/04/556213704.db2.gz BGEITUDXWLKHIX-KRWDZBQOSA-N 0 0 497.642 4.236 50 0 JIAARN O=C(OCc1csc(-c2ccco2)n1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000025440615 556215634 /nfs/dbraw/zinc/21/56/34/556215634.db2.gz WDYRHTLFJYNDEO-UHFFFAOYSA-N 0 0 465.512 4.321 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000025469205 556217666 /nfs/dbraw/zinc/21/76/66/556217666.db2.gz PLDOFDQSBPTLFY-LJQANCHMSA-N 0 0 479.602 4.331 50 0 JIAARN COc1ccc([C@H]([C@@H](O)C(=O)c2c[nH]c3ccccc23)N2CCN(c3ccccc3)CC2)cc1 ZINC000025480558 556217988 /nfs/dbraw/zinc/21/79/88/556217988.db2.gz XXBYDHMMYPBHLF-IXCJQBJRSA-N 0 0 455.558 4.284 50 0 JIAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)cc1 ZINC000025514135 556218812 /nfs/dbraw/zinc/21/88/12/556218812.db2.gz 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CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)/C=C/c2ccccc2)cc1 ZINC000026688568 556259643 /nfs/dbraw/zinc/25/96/43/556259643.db2.gz KCYPJZOVJYMULA-JYFCICGUSA-N 0 0 483.524 4.259 50 0 JIAARN CCOc1ccccc1NC(=O)COC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000013063362 556259797 /nfs/dbraw/zinc/25/97/97/556259797.db2.gz UQPATUTWJPHNDF-KDURUIRLSA-N 0 0 468.550 4.049 50 0 JIAARN CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nn(CN(C)Cc2ccc(C)cc2)c1=S ZINC000013070138 556267069 /nfs/dbraw/zinc/26/70/69/556267069.db2.gz CYAFOQONZINRJJ-UHFFFAOYSA-N 0 0 485.679 4.283 50 0 JIAARN COc1ccc(CCNC(=O)COC(=O)c2ccccc2Nc2ccc(F)cc2)cc1OC ZINC000013071091 556269000 /nfs/dbraw/zinc/26/90/00/556269000.db2.gz OMMUFCNSMVMTPC-UHFFFAOYSA-N 0 0 452.482 4.102 50 0 JIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4N=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000017857658 556269028 /nfs/dbraw/zinc/26/90/28/556269028.db2.gz BFEJISZMPJSCAR-KEZOAJOQSA-N 0 0 469.928 4.410 50 0 aggregator JIAARN CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc32)c1 ZINC000017910893 556271024 /nfs/dbraw/zinc/27/10/24/556271024.db2.gz IBQHECOXVJDVMT-FQEVSTJZSA-N 0 0 453.589 4.042 50 0 JIAARN O=C1N(c2cccc(C(F)(F)F)c2)[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 ZINC000017948713 556272145 /nfs/dbraw/zinc/27/21/45/556272145.db2.gz UHSDMNKGMUETIA-IYBDPMFKSA-N 0 0 464.387 4.336 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C3=Cc4ccccc4O[C@@H]3C)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000027025292 556272178 /nfs/dbraw/zinc/27/21/78/556272178.db2.gz GZAGZECDZOXTDW-MDYSKEEDSA-N 0 0 498.604 4.280 50 0 JIAARN COc1cccc(C(=O)NCCc2nnc(NC(=O)c3c(C)onc3-c3ccccc3Cl)s2)c1 ZINC000017970319 556273849 /nfs/dbraw/zinc/27/38/49/556273849.db2.gz YYMVAPSIDMBRNK-UHFFFAOYSA-N 0 0 497.964 4.388 50 0 JIAARN CCOc1ccc(NC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1S(=O)(=O)N1CCCC1 ZINC000027104251 556274071 /nfs/dbraw/zinc/27/40/71/556274071.db2.gz OBQSNILOSUDBKR-UHFFFAOYSA-N 0 0 473.517 4.103 50 0 JIAARN C[C@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Br)cc4)c3)C(=O)[C@@H]21 ZINC000017976330 556274154 /nfs/dbraw/zinc/27/41/54/556274154.db2.gz ZAKIKYBNFKWDDQ-UQIDSAAFSA-N 0 0 482.330 4.190 50 0 JIAARN CSCC[C@@H](C(=O)N1CCCCC1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018008199 556275644 /nfs/dbraw/zinc/27/56/44/556275644.db2.gz NGEXPXBTNLOQIS-PKFSMUTISA-N 0 0 474.626 4.013 50 0 JIAARN CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013075075 556276397 /nfs/dbraw/zinc/27/63/97/556276397.db2.gz PEUBLJNFPSLTJP-GOSISDBHSA-N 0 0 493.796 4.132 50 0 JIAARN Cc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000013075208 556276403 /nfs/dbraw/zinc/27/64/03/556276403.db2.gz GPDDNDCVJPGYEU-UHFFFAOYSA-N 0 0 469.651 4.060 50 0 JIAARN CCc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)[NH+](C)C)cc1 ZINC000018017134 556276910 /nfs/dbraw/zinc/27/69/10/556276910.db2.gz WEBRAEPSXNKFBQ-XMMPIXPASA-N 0 0 481.618 4.091 50 0 JIAARN O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000027366047 556277251 /nfs/dbraw/zinc/27/72/51/556277251.db2.gz WSVCEXZXCQHJMQ-FQEVSTJZSA-N 0 0 456.608 4.086 50 0 JIAARN CN(CC(=O)NC(C)(C)C)C(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C ZINC000027480405 556280087 /nfs/dbraw/zinc/28/00/87/556280087.db2.gz BYUVSGGIIHSELB-INIZCTEOSA-N 0 0 491.727 4.160 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000013095412 556287373 /nfs/dbraw/zinc/28/73/73/556287373.db2.gz BBQQZLKEQVWYIK-UHFFFAOYSA-N 0 0 492.041 4.232 50 0 JIAARN Cn1cccc1C(=O)NC(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000013095451 556287676 /nfs/dbraw/zinc/28/76/76/556287676.db2.gz JUWVLCJBHLYPLT-BUHFOSPRSA-N 0 0 494.507 4.137 50 0 JIAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cc(Cl)ccc1OC)CC[C@@H](C)C3 ZINC000013095818 556288998 /nfs/dbraw/zinc/28/89/98/556288998.db2.gz DKIYRFKGQZIZRX-LLVKDONJSA-N 0 0 464.996 4.499 50 0 JIAARN 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/nfs/dbraw/zinc/64/46/53/569644653.db2.gz UXGTYJCZLDZMOM-UHFFFAOYSA-N 0 0 474.579 4.476 50 0 JIAARN CSc1ccc(CNC(=O)CCc2c(C)nn(-c3cc(N4CCCCC4)ncn3)c2C)cc1 ZINC000064924870 569646425 /nfs/dbraw/zinc/64/64/25/569646425.db2.gz QFEYCFDBDSUBMT-UHFFFAOYSA-N 0 0 464.639 4.240 50 0 JIAARN COc1cccc(NC(=O)N2CCN(c3nc4ccccc4n(Cc4ccc(C)cc4)c3=O)CC2)c1 ZINC000064926281 569646765 /nfs/dbraw/zinc/64/67/65/569646765.db2.gz QPHZOJZBYXQEHI-UHFFFAOYSA-N 0 0 483.572 4.116 50 0 JIAARN Cc1ccc(Cn2c3ccccc3nc(N3CCN(C(=O)Nc4cccc(F)c4)CC3)c2=O)cc1 ZINC000064926377 569646770 /nfs/dbraw/zinc/64/67/70/569646770.db2.gz UVEDWAFBNZHUAZ-UHFFFAOYSA-N 0 0 471.536 4.246 50 0 JIAARN CCCSCCCNC(=O)[C@H]1CCCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)C1 ZINC000064926547 569646888 /nfs/dbraw/zinc/64/68/88/569646888.db2.gz RXABVOWILKTRRL-QFIPXVFZSA-N 0 0 478.662 4.311 50 0 JIAARN Cc1cccc(C)c1-n1c2ncn(Cc3cccc(C(F)(F)F)c3)c2c(=O)n(C[C@@H]2CCCO2)c1=O ZINC000034693802 569646994 /nfs/dbraw/zinc/64/69/94/569646994.db2.gz QTDPSYMZVZGIEF-FQEVSTJZSA-N 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Cc1nnc2c3ccc(Cl)cc3nc(N3CCN(C(=O)OCc4ccccc4)[C@@H](C)C3)n12 ZINC000034700075 569648748 /nfs/dbraw/zinc/64/87/48/569648748.db2.gz OURVKIAEAWCOQW-HNNXBMFYSA-N 0 0 450.930 4.087 50 0 JIAARN C[C@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4ccco4)n32)CCN1C(=O)c1ccco1 ZINC000034700149 569648756 /nfs/dbraw/zinc/64/87/56/569648756.db2.gz NQXZRAJTWOCAPX-AWEZNQCLSA-N 0 0 462.897 4.135 50 0 JIAARN Cc1ccc(-c2nnc3c4ccc(Cl)cc4nc(N4CCN(C(=O)c5ccco5)CC4)n23)cc1 ZINC000034700096 569648771 /nfs/dbraw/zinc/64/87/71/569648771.db2.gz CCYPKUPQNQEQDY-UHFFFAOYSA-N 0 0 472.936 4.462 50 0 JIAARN CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C(C)C)CC2)c1 ZINC000065022248 569648876 /nfs/dbraw/zinc/64/88/76/569648876.db2.gz PLHMIXHYDGIFIZ-UHFFFAOYSA-N 0 0 487.647 4.246 50 0 JIAARN Cc1ccccc1C(=O)N1CCN(c2nc3ccccc3c3nnc(Cc4ccccc4)n32)CC1 ZINC000034700451 569649021 /nfs/dbraw/zinc/64/90/21/569649021.db2.gz PZXSUWLEAZZXMU-UHFFFAOYSA-N 0 0 462.557 4.139 50 0 JIAARN C[C@@H]1CN(c2nc3ccccc3c3nnc(Cc4ccccc4)n32)CCN1C(=O)c1ccc(F)cc1 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/nfs/dbraw/zinc/65/31/46/569653146.db2.gz VDLNRXKTXYJHAA-UHFFFAOYSA-N 0 0 478.684 4.249 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCCC[C@@H]3C)c(C)n2C)sc1C(=O)N1CCCCCC1 ZINC000065036284 569653175 /nfs/dbraw/zinc/65/31/75/569653175.db2.gz BIFYYVHROQTRAH-INIZCTEOSA-N 0 0 478.684 4.345 50 0 JIAARN COc1ccccc1CCNC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1 ZINC000034731701 569653282 /nfs/dbraw/zinc/65/32/82/569653282.db2.gz YJBIVGHQYALRLZ-PKTZIBPZSA-N 0 0 460.549 4.439 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCC4)s3)n(C)c2C)cc1 ZINC000065036419 569653400 /nfs/dbraw/zinc/65/34/00/569653400.db2.gz CWWQWDRAFCHZCA-UHFFFAOYSA-N 0 0 488.635 4.201 50 0 JIAARN Cc1noc2nc(CCC(=O)NCc3cccc(Br)c3)nc(N3CCCCCC3)c12 ZINC000065056617 569654143 /nfs/dbraw/zinc/65/41/43/569654143.db2.gz RUVKUJSOKCLRJB-UHFFFAOYSA-N 0 0 472.387 4.318 50 0 JIAARN COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3cccc(Br)c3)C2)c1 ZINC000065058835 569654722 /nfs/dbraw/zinc/65/47/22/569654722.db2.gz HELDLXWULVPXLD-QFIPXVFZSA-N 0 0 460.372 4.408 50 0 JIAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(S(=O)(=O)c3ccc(CC(C)C)cc3)C2)c1 ZINC000065059429 569654793 /nfs/dbraw/zinc/65/47/93/569654793.db2.gz ZWNPAHKSINMOKB-RUZDIDTESA-N 0 0 458.624 4.001 50 0 JIAARN CCCCOc1ccc(CNC(=O)[C@@H](C)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000065061939 569655603 /nfs/dbraw/zinc/65/56/03/569655603.db2.gz HOFNJESFNBTFRZ-SFHVURJKSA-N 0 0 464.653 4.280 50 0 JIAARN COc1cccc(Oc2nc(N3CCN(C)CC3)nc3c2CN(Cc2cc(C)ccc2F)CC3)c1 ZINC000034755572 569655815 /nfs/dbraw/zinc/65/58/15/569655815.db2.gz BGXCSYSGYBEUCM-UHFFFAOYSA-N 0 0 477.584 4.035 50 0 JIAARN CCc1ccc(CNC(=O)[C@@H](C)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1 ZINC000065062462 569656129 /nfs/dbraw/zinc/65/61/29/569656129.db2.gz DWAOHISKVVVCFP-HNNXBMFYSA-N 0 0 499.496 4.426 50 0 JIAARN Cc1cccc(CN2CCc3nc(N4CCOCC4)nc(Oc4ccc(F)cc4F)c3C2)c1 ZINC000034755865 569656182 /nfs/dbraw/zinc/65/61/82/569656182.db2.gz WVUGUVGZWDWHSH-UHFFFAOYSA-N 0 0 452.505 4.250 50 0 JIAARN CC1CCN(c2nc3c(c(N4CCC(C)CC4)n2)CN(C(=O)c2c(F)cccc2F)CC3)CC1 ZINC000034756258 569656466 /nfs/dbraw/zinc/65/64/66/569656466.db2.gz AHOCCZAYCQFLSK-UHFFFAOYSA-N 0 0 469.580 4.426 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3nc(N4CCCC4)nc(Oc4ccc(F)cc4)c3C2)cc1 ZINC000034756732 569656623 /nfs/dbraw/zinc/65/66/23/569656623.db2.gz FTXYLKXFOYNRLO-UHFFFAOYSA-N 0 0 468.554 4.064 50 0 JIAARN CCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000065063594 569656949 /nfs/dbraw/zinc/65/69/49/569656949.db2.gz MRUFHFPHXOKNNQ-UHFFFAOYSA-N 0 0 476.352 4.187 50 0 JIAARN CCOC(=O)c1cccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2OC)c1 ZINC000065075151 569657605 /nfs/dbraw/zinc/65/76/05/569657605.db2.gz VDRPRFFPVOGUFZ-MUUNZHRXSA-N 0 0 472.541 4.150 50 0 JIAARN O=C(CCn1nnc2cc(-c3noc(-c4ccc(Br)cc4)n3)ccc21)N1CCCCC1 ZINC000065076016 569658195 /nfs/dbraw/zinc/65/81/95/569658195.db2.gz MUOUWRWIPFAPSW-UHFFFAOYSA-N 0 0 481.354 4.313 50 0 JIAARN Cc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1Cl ZINC000065077369 569658479 /nfs/dbraw/zinc/65/84/79/569658479.db2.gz RPATZUFQWHRKBH-CYBMUJFWSA-N 0 0 452.985 4.274 50 0 JIAARN Cc1cc(Cl)ccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2 ZINC000065078168 569658702 /nfs/dbraw/zinc/65/87/02/569658702.db2.gz OTGPQJQNXRCNPX-CYBMUJFWSA-N 0 0 452.985 4.131 50 0 JIAARN Nc1c(NC(=O)NCCCN2CCOCC2)c(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1 ZINC000034785546 569659276 /nfs/dbraw/zinc/65/92/76/569659276.db2.gz MAHIRMVGXKOQIS-UHFFFAOYSA-N 0 0 489.407 4.272 50 0 JIAARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000034787148 569659541 /nfs/dbraw/zinc/65/95/41/569659541.db2.gz WQYPTDDLIHFRFC-VWLOTQADSA-N 0 0 480.033 4.334 50 0 JIAARN O=C(CN1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000034787421 569659805 /nfs/dbraw/zinc/65/98/05/569659805.db2.gz USPZHTHIEFXCDS-VWLOTQADSA-N 0 0 498.023 4.473 50 0 JIAARN O=C(CN1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000034787418 569659814 /nfs/dbraw/zinc/65/98/14/569659814.db2.gz 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COc1cccc(-c2nn(C)cc2-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)c1 ZINC000065099136 569662226 /nfs/dbraw/zinc/66/22/26/569662226.db2.gz MKQQBMGOPMZPBA-UHFFFAOYSA-N 0 0 462.579 4.239 50 0 JIAARN CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cn(C)nc1-c1ccccc1 ZINC000065099443 569662395 /nfs/dbraw/zinc/66/23/95/569662395.db2.gz WYQXGZGGTPNIEI-UHFFFAOYSA-N 0 0 458.591 4.437 50 0 JIAARN CCn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1nc(-c2ccc(OC)cc2)no1 ZINC000065099658 569662488 /nfs/dbraw/zinc/66/24/88/569662488.db2.gz FWLJTZKYNBNSAB-UHFFFAOYSA-N 0 0 472.477 4.033 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nnc(-c3nc(-c4cccc(C)c4)no3)n2CC)cc1 ZINC000065099701 569662536 /nfs/dbraw/zinc/66/25/36/569662536.db2.gz MPKFJFLXGQLOSD-UHFFFAOYSA-N 0 0 464.551 4.453 50 0 JIAARN Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1nc(-c2ccc(F)cc2)no1 ZINC000065099791 569662608 /nfs/dbraw/zinc/66/26/08/569662608.db2.gz LLZJEFYLKPXIQT-UHFFFAOYSA-N 0 0 462.869 4.195 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2nc(-c3ccc(F)cc3)no2)n1C ZINC000065099787 569662628 /nfs/dbraw/zinc/66/26/28/569662628.db2.gz IICPXVNGJJKZDR-UHFFFAOYSA-N 0 0 474.905 4.064 50 0 JIAARN COc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)C3CCCCC3)[C@@H](C)C2)cc1 ZINC000034829651 569663216 /nfs/dbraw/zinc/66/32/16/569663216.db2.gz IRMLRTCVWHJACL-DCFHFQCYSA-N 0 0 495.689 4.344 50 0 JIAARN CCSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)N(CC)c1cccc(C)c1 ZINC000065100807 569663418 /nfs/dbraw/zinc/66/34/18/569663418.db2.gz QIUGNQHRAJYMRM-UHFFFAOYSA-N 0 0 494.642 4.391 50 0 JIAARN Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)c2ccccc2)[C@H](C)C1 ZINC000034829793 569663455 /nfs/dbraw/zinc/66/34/55/569663455.db2.gz BFCATSRURMDIIV-ZBLYBZFDSA-N 0 0 473.642 4.377 50 0 JIAARN CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)c4ccc(Br)o4)CC3)n2)cc1 ZINC000065111494 569664568 /nfs/dbraw/zinc/66/45/68/569664568.db2.gz KHYGVAWYDDYCKZ-UHFFFAOYSA-N 0 0 459.300 4.070 50 0 JIAARN Cc1ccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)no2)cc1 ZINC000065111906 569664712 /nfs/dbraw/zinc/66/47/12/569664712.db2.gz YVRRSPOJGAINSV-UHFFFAOYSA-N 0 0 468.398 4.437 50 0 JIAARN Cc1cccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)no2)c1 ZINC000065111981 569664716 /nfs/dbraw/zinc/66/47/16/569664716.db2.gz JRGOJXORNRMLOS-UHFFFAOYSA-N 0 0 462.369 4.376 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(F)cc4)n3)CC2)cc1Cl ZINC000065112069 569664796 /nfs/dbraw/zinc/66/47/96/569664796.db2.gz MQPVSGFEQLMATB-UHFFFAOYSA-N 0 0 451.907 4.106 50 0 JIAARN CCOc1cccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4ccccc4C)c3=O)n2)c1 ZINC000065112803 569664934 /nfs/dbraw/zinc/66/49/34/569664934.db2.gz VXCQWXQGACKTPM-UHFFFAOYSA-N 0 0 460.515 4.019 50 0 JIAARN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000065116153 569666196 /nfs/dbraw/zinc/66/61/96/569666196.db2.gz OFXCNDAYCBEHAM-UHFFFAOYSA-N 0 0 455.536 4.013 50 0 JIAARN Cc1nc(-c2csc(S(=O)(=O)N[C@H](C)Cc3ccco3)c2)sc1C(=O)N1CCCCC1 ZINC000065117167 569666997 /nfs/dbraw/zinc/66/69/97/569666997.db2.gz QBWINWVYEAFOSJ-CQSZACIVSA-N 0 0 479.649 4.309 50 0 JIAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1Cl ZINC000034849445 569667219 /nfs/dbraw/zinc/66/72/19/569667219.db2.gz OLIOIIGXCPSTQM-QFIPXVFZSA-N 0 0 453.926 4.079 50 0 JIAARN O=c1ccn(-c2cccc(Br)c2)nc1-c1nc(-c2ccccc2Br)no1 ZINC000065129671 569667273 /nfs/dbraw/zinc/66/72/73/569667273.db2.gz BTIXDXIQHYFQKW-UHFFFAOYSA-N 0 0 474.112 4.475 50 0 JIAARN COc1cccc(CNC(=O)C2CCN(c3ncccc3-c3nc(-c4cccc(F)c4)no3)CC2)c1 ZINC000065131052 569667539 /nfs/dbraw/zinc/66/75/39/569667539.db2.gz FENMQTOJYGFUGI-UHFFFAOYSA-N 0 0 487.535 4.479 50 0 JIAARN COc1ccccc1N1CCN(c2cc(SCC(=O)Nc3cc(F)ccc3Cl)ncn2)CC1 ZINC000065133675 569667949 /nfs/dbraw/zinc/66/79/49/569667949.db2.gz JKMZSHMVPLWDJX-UHFFFAOYSA-N 0 0 487.988 4.335 50 0 JIAARN COc1ccccc1N1CCN(c2cc(SCC(=O)Nc3ccccc3Cl)ncn2)CC1 ZINC000065133671 569667983 /nfs/dbraw/zinc/66/79/83/569667983.db2.gz VJAFQJWUIRYOBK-UHFFFAOYSA-N 0 0 469.998 4.196 50 0 JIAARN Cc1cccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(C)cc4Br)nc23)c1 ZINC000065150954 569669228 /nfs/dbraw/zinc/66/92/28/569669228.db2.gz SSTIUSLNBYFKQM-UHFFFAOYSA-N 0 0 484.379 4.060 50 0 JIAARN O=C(CSc1nccc(N2CCC(Cc3ccccc3)CC2)n1)NCc1ccc(F)cc1 ZINC000065151414 569669458 /nfs/dbraw/zinc/66/94/58/569669458.db2.gz RTKBVAWWXFFKIB-UHFFFAOYSA-N 0 0 450.583 4.483 50 0 JIAARN Cc1cccc(C(C)C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000034896521 569669588 /nfs/dbraw/zinc/66/95/88/569669588.db2.gz FGLGGOMKXHDXQW-UHFFFAOYSA-N 0 0 457.640 4.187 50 0 JIAARN COc1ccc(CCN(C)C(=O)c2cn3c(n2)CC[C@@H](c2ccc(F)c(C)c2)C3)cc1OC ZINC000034898997 569669719 /nfs/dbraw/zinc/66/97/19/569669719.db2.gz UWLZAQSOGLTFKT-HXUWFJFHSA-N 0 0 451.542 4.393 50 0 JIAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccc(F)cc1 ZINC000034900294 569670009 /nfs/dbraw/zinc/67/00/09/569670009.db2.gz DEDKSBCEYDZOOK-WWPVKYPJSA-N 0 0 485.987 4.189 50 0 JIAARN COc1ccccc1OCc1nc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)Cc2ccccc2)cs1 ZINC000034905756 569670630 /nfs/dbraw/zinc/67/06/30/569670630.db2.gz QTDDJLSLCPHQGL-UXHICEINSA-N 0 0 479.602 4.131 50 0 JIAARN COc1ccc(-n2nc(C)c3sc(N4CCCN(C(=O)Cc5ccc(C)cc5)CC4)nc32)cc1 ZINC000065300004 569671058 /nfs/dbraw/zinc/67/10/58/569671058.db2.gz CGPCRBFOKIMSIE-UHFFFAOYSA-N 0 0 475.618 4.389 50 0 JIAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCCN(C(=O)c4ccc(N(C)C)cc4)CC3)sc12 ZINC000065300079 569671176 /nfs/dbraw/zinc/67/11/76/569671176.db2.gz AXZYRZOYDCDHLS-UHFFFAOYSA-N 0 0 478.597 4.348 50 0 JIAARN CCc1ccc(CNC(=O)C2CCN(c3c4c(C)nsc4ncc3C(=O)N3CCCC3)CC2)cc1 ZINC000065301082 569671250 /nfs/dbraw/zinc/67/12/50/569671250.db2.gz SLJDBQKHZDJPDN-UHFFFAOYSA-N 0 0 491.661 4.331 50 0 JIAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCCN(C(=O)COc4ccccc4)CC3)sc12 ZINC000065300304 569671299 /nfs/dbraw/zinc/67/12/99/569671299.db2.gz VODGBZDTJWAYHN-UHFFFAOYSA-N 0 0 461.591 4.217 50 0 JIAARN CCN1CCN(c2ccc(NC(=O)C(C)(C)C)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000034919586 569672110 /nfs/dbraw/zinc/67/21/10/569672110.db2.gz NDGPVDPZUZRJNO-HSZRJFAPSA-N 0 0 498.693 4.169 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(N1CCN(c3ccccc3Cl)CC1)n(-c1cccc(C)c1)c2=O ZINC000065306638 569672158 /nfs/dbraw/zinc/67/21/58/569672158.db2.gz BHLWPSVMTXXSRW-UHFFFAOYSA-N 0 0 488.975 4.461 50 0 JIAARN CCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccco2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928162 569673372 /nfs/dbraw/zinc/67/33/72/569673372.db2.gz SFBINICINODWEB-ZEQRLZLVSA-N 0 0 478.545 4.313 50 0 JIAARN CCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccn2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928242 569673414 /nfs/dbraw/zinc/67/34/14/569673414.db2.gz HZFSWFYLVQSPKE-DQEYMECFSA-N 0 0 489.572 4.115 50 0 JIAARN Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)Nc1cccc2c1CCCC2 ZINC000065318984 569673450 /nfs/dbraw/zinc/67/34/50/569673450.db2.gz FLCLWAWBKKPONT-UHFFFAOYSA-N 0 0 480.590 4.351 50 0 JIAARN CCn1c(=O)c2sc(N3CCC(C)CC3)nc2nc1SCC(=O)Nc1ccc(C)cc1C ZINC000065319592 569674102 /nfs/dbraw/zinc/67/41/02/569674102.db2.gz FETFAYWLPLCYRK-UHFFFAOYSA-N 0 0 471.652 4.457 50 0 JIAARN CCOC(=O)CCCCCNC(=O)/C(=C\c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000035078781 569674383 /nfs/dbraw/zinc/67/43/83/569674383.db2.gz VTXJSAJKFRUKNI-LTGZKZEYSA-N 0 0 487.394 4.460 50 0 JIAARN COC(=O)[C@](C)(NC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccccc1 ZINC000065575651 569676086 /nfs/dbraw/zinc/67/60/86/569676086.db2.gz RQCPWDWZRXFVJM-YGMDYZATSA-N 0 0 498.988 4.359 50 0 JIAARN O=S(=O)(c1ccccc1)n1c(Cl)c(I)c2cc(Br)cnc21 ZINC000066054368 569676720 /nfs/dbraw/zinc/67/67/20/569676720.db2.gz CNGCWEGRXPRLHD-UHFFFAOYSA-N 0 0 497.539 4.294 50 0 JIAARN COc1cc([C@@H]2c3cnn(C(C)(C)C)c3N=C3NC(=O)N(c4ccccc4)[C@H]32)c(OC)c2c1OCO2 ZINC000066091499 569677061 /nfs/dbraw/zinc/67/70/61/569677061.db2.gz IJCFBPGPJOLKPS-MOPGFXCFSA-N 0 0 489.532 4.158 50 0 JIAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccccc2Cl)c1=O)NCc1ccc(F)cc1Cl ZINC000067207167 569678247 /nfs/dbraw/zinc/67/82/47/569678247.db2.gz XYOILGXJGWNFCW-UHFFFAOYSA-N 0 0 492.359 4.035 50 0 JIAARN CC(C)CN(CC(=O)Nc1nc(CC(=O)NCc2ccccc2)cs1)C(=O)C1CCCCC1 ZINC000035226057 569678453 /nfs/dbraw/zinc/67/84/53/569678453.db2.gz ZARQLLMTXKRSPN-UHFFFAOYSA-N 0 0 470.639 4.005 50 0 JIAARN O=C(Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1)NCc1ccc2c(c1)OCO2 ZINC000067207975 569678524 /nfs/dbraw/zinc/67/85/24/569678524.db2.gz WIVYTCAXKWQHPW-UHFFFAOYSA-N 0 0 486.406 4.149 50 0 JIAARN CC[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1ccccc1 ZINC000035227175 569678585 /nfs/dbraw/zinc/67/85/85/569678585.db2.gz QNNJYWATOSYXIM-NRFANRHFSA-N 0 0 454.592 4.340 50 0 JIAARN O=C(CSc1nc2ccsc2c(=O)n1-c1cc(F)cc(F)c1)NCc1ccc(F)cc1F ZINC000067217741 569679722 /nfs/dbraw/zinc/67/97/22/569679722.db2.gz NFKIQBAGEQYJFZ-UHFFFAOYSA-N 0 0 479.480 4.412 50 0 JIAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2F)c1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000067217950 569679770 /nfs/dbraw/zinc/67/97/70/569679770.db2.gz LZYLEJRGORTCPD-UHFFFAOYSA-N 0 0 464.305 4.299 50 0 JIAARN O=C(Cn1c2ccsc2c(=O)n(-c2cc(F)cc(F)c2)c1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000067218744 569680302 /nfs/dbraw/zinc/68/03/02/569680302.db2.gz KPHUTQAMVJEGEY-UHFFFAOYSA-N 0 0 481.402 4.150 50 0 JIAARN Cc1cccc(-c2noc(-c3cccn4c(=O)n(CC(=O)Nc5c(C)cccc5Cl)nc34)n2)c1 ZINC000067218863 569680353 /nfs/dbraw/zinc/68/03/53/569680353.db2.gz DOWNMCCVWRKQLF-UHFFFAOYSA-N 0 0 474.908 4.122 50 0 JIAARN O=C(Cn1nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn2c1=O)Nc1ccc(Cl)cc1F ZINC000067218957 569680406 /nfs/dbraw/zinc/68/04/06/569680406.db2.gz IJJMNVIJDWBWAI-UHFFFAOYSA-N 0 0 499.289 4.298 50 0 JIAARN CSc1cccc(NC(=O)Cn2nc3c(-c4nc(-c5ccc(Cl)cc5)no4)cccn3c2=O)c1 ZINC000067218965 569680467 /nfs/dbraw/zinc/68/04/67/569680467.db2.gz QVMNCMJMYWQLNX-UHFFFAOYSA-N 0 0 492.948 4.227 50 0 JIAARN Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)Nc5ccccc5C(F)(F)F)nc34)n2)cc1 ZINC000067219059 569680492 /nfs/dbraw/zinc/68/04/92/569680492.db2.gz WWBFSBMTIMQDSC-UHFFFAOYSA-N 0 0 494.433 4.179 50 0 JIAARN Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)Nc5cc(Cl)ccc5C)nc34)n2)cc1 ZINC000067219076 569680501 /nfs/dbraw/zinc/68/05/01/569680501.db2.gz ZSFWAPLTFINCHA-UHFFFAOYSA-N 0 0 474.908 4.122 50 0 JIAARN Cc1c(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c(=O)n(-c2ccccc2)n1C ZINC000035338672 569681136 /nfs/dbraw/zinc/68/11/36/569681136.db2.gz OYLXJWQFHVXAKJ-HSZRJFAPSA-N 0 0 464.616 4.194 50 0 JIAARN CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000067245953 569682126 /nfs/dbraw/zinc/68/21/26/569682126.db2.gz OQDZKVMLBBJXCO-UHFFFAOYSA-N 0 0 491.635 4.372 50 0 JIAARN C[C@H](c1nnc(-c2cccs2)o1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000035361534 569682145 /nfs/dbraw/zinc/68/21/45/569682145.db2.gz GIWNHHGIEREDQZ-MRXNPFEDSA-N 0 0 454.577 4.019 50 0 JIAARN O=C(c1ccc(Cl)cc1)[C@H]1[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000035361876 569682317 /nfs/dbraw/zinc/68/23/17/569682317.db2.gz RUBZKBGHKJULEQ-YRLQWRJRSA-N 0 0 483.955 4.355 50 0 biogenic JIAARN Cc1ccccc1Oc1nc2ccccc2n2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)nc12 ZINC000035371841 569682865 /nfs/dbraw/zinc/68/28/65/569682865.db2.gz QGFLKHKKTBMBRB-UHFFFAOYSA-N 0 0 459.893 4.437 50 0 JIAARN Cc1ccc([C@@H]2OCC(C)(C)n3c(-c4cccc(Br)c4)c4c(c32)n(C)c(=O)n(C)c4=O)o1 ZINC000035373243 569683633 /nfs/dbraw/zinc/68/36/33/569683633.db2.gz IVOVYDUVLFQEGS-NRFANRHFSA-N 0 0 498.377 4.224 50 0 JIAARN O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000035374692 569684200 /nfs/dbraw/zinc/68/42/00/569684200.db2.gz MJBFFHCYSNXBKC-RPWDQDSNSA-N 0 0 476.747 4.078 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4nc(-c5ccccc5C)no4)CC3)CC2)c1 ZINC000035374885 569684407 /nfs/dbraw/zinc/68/44/07/569684407.db2.gz JADJXNGMVZVPPJ-UHFFFAOYSA-N 0 0 459.594 4.227 50 0 JIAARN O=C(Cn1cc(-c2nc(-c3ccc(Br)cc3)no2)ccc1=O)N1CCCc2ccccc21 ZINC000067289189 569684985 /nfs/dbraw/zinc/68/49/85/569684985.db2.gz CUYKIQIJBCALGH-UHFFFAOYSA-N 0 0 491.345 4.307 50 0 JIAARN O=C(Cn1cc(-c2nc(-c3cccc(Br)c3)no2)ccc1=O)NCc1ccc(Cl)cc1 ZINC000067289126 569685042 /nfs/dbraw/zinc/68/50/42/569685042.db2.gz GRXAACJRBMWCSU-UHFFFAOYSA-N 0 0 499.752 4.298 50 0 JIAARN CCc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)c1 ZINC000067291110 569685299 /nfs/dbraw/zinc/68/52/99/569685299.db2.gz AERRIVPWFQWXTC-UHFFFAOYSA-N 0 0 473.554 4.467 50 0 JIAARN COc1ccccc1CN1CCc2nc(SCC(=O)Nc3c(C)cccc3Cl)[nH]c(=O)c2C1 ZINC000067291413 569685437 /nfs/dbraw/zinc/68/54/37/569685437.db2.gz KBEXDPQABABYTD-UHFFFAOYSA-N 0 0 485.009 4.442 50 0 JIAARN Cc1cc2nc(COc3ccc(NC(=O)COc4cccc(C(F)(F)F)c4)cc3)cc(=O)n2o1 ZINC000035378608 569685736 /nfs/dbraw/zinc/68/57/36/569685736.db2.gz PNCNKCVPCVYENT-UHFFFAOYSA-N 0 0 473.407 4.211 50 0 JIAARN COc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000067292271 569685996 /nfs/dbraw/zinc/68/59/96/569685996.db2.gz TVGXJNPGVBYNQW-FGGSVNHKSA-N 0 0 457.324 4.345 50 0 JIAARN Cc1cc2nc(SCC(=O)NCc3cccc(Br)c3)n(-c3ccccc3)c(=O)c2[nH]1 ZINC000067299726 569686458 /nfs/dbraw/zinc/68/64/58/569686458.db2.gz MUTHPEKGTKDAIY-UHFFFAOYSA-N 0 0 483.391 4.193 50 0 JIAARN Cc1cc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(Cl)cc2)ccc1Br ZINC000067300718 569686507 /nfs/dbraw/zinc/68/65/07/569686507.db2.gz NKPWFRRQYOLMEU-UHFFFAOYSA-N 0 0 490.785 4.117 50 0 JIAARN Cc1ccc(CNC(=O)Cn2c(=O)cc(-c3nc(-c4ccncc4)no3)c3ccccc32)cc1C ZINC000067318223 569686992 /nfs/dbraw/zinc/68/69/92/569686992.db2.gz WNWCKDWJHKXUHS-UHFFFAOYSA-N 0 0 465.513 4.047 50 0 JIAARN CC(C)CCn1c2nnc(CCCC(=O)N3CCc4ccccc4C3)n2c2ccsc2c1=O ZINC000067342077 569688378 /nfs/dbraw/zinc/68/83/78/569688378.db2.gz SNARNEQHOMWWCE-UHFFFAOYSA-N 0 0 463.607 4.059 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)Nc2cnc(N3CCC[C@H](C[NH+]4CCCC4)C3)c(C(=O)[O-])c2)cc1 ZINC000035397836 569688430 /nfs/dbraw/zinc/68/84/30/569688430.db2.gz PONNJJHIKLFESH-LJQANCHMSA-N 0 0 486.638 4.016 50 0 JIAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCc2ccccc2Cl)cn3C2CC2)CC1 ZINC000067676218 569689176 /nfs/dbraw/zinc/68/91/76/569689176.db2.gz FKWDJZUNDFTJTL-UHFFFAOYSA-N 0 0 482.987 4.201 50 0 JIAARN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC(C)CC1 ZINC000035398980 569689268 /nfs/dbraw/zinc/68/92/68/569689268.db2.gz XQGULCGLVKMIHL-UHFFFAOYSA-N 0 0 483.634 4.032 50 0 JIAARN O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21)Nc1ccc(Cl)cc1F ZINC000067689485 569689442 /nfs/dbraw/zinc/68/94/42/569689442.db2.gz UXLJSUBQXYSTBF-UHFFFAOYSA-N 0 0 472.303 4.296 50 0 JIAARN COc1cc(C(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc(OC)c1OC ZINC000035399477 569689866 /nfs/dbraw/zinc/68/98/66/569689866.db2.gz JREPMJCUXCIAPN-UHFFFAOYSA-N 0 0 451.498 4.199 50 0 biogenic JIAARN O=C(CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000035404575 569691599 /nfs/dbraw/zinc/69/15/99/569691599.db2.gz IXHLLKUTHXXIGM-UHFFFAOYSA-N 0 0 479.987 4.103 50 0 JIAARN O=C(CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCc1cccc(Br)c1 ZINC000035404621 569691719 /nfs/dbraw/zinc/69/17/19/569691719.db2.gz UQUVUQJBBJGBIK-UHFFFAOYSA-N 0 0 469.358 4.179 50 0 JIAARN Cc1ccc(Cc2cnc(NC(=O)CS(=O)(=O)Cc3cccc(Br)c3)s2)cc1F ZINC000068760556 569692107 /nfs/dbraw/zinc/69/21/07/569692107.db2.gz ITTMTPUPCVFRIZ-UHFFFAOYSA-N 0 0 497.411 4.497 50 0 JIAARN COc1ccc(OC)c(-n2c(CN3CCN(c4ccc(C)cc4)[C@@H](C)C3)nc3ccccc3c2=O)c1 ZINC000068741483 569692117 /nfs/dbraw/zinc/69/21/17/569692117.db2.gz FJBBEUHNVQKBTN-NRFANRHFSA-N 0 0 484.600 4.422 50 0 JIAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCC4)cs3)CC2)c1C ZINC000035424383 569693105 /nfs/dbraw/zinc/69/31/05/569693105.db2.gz BHKMHMXTWUQQQC-UHFFFAOYSA-N 0 0 489.663 4.030 50 0 JIAARN C[C@H](NC(=O)c1cc(Br)c(Br)s1)c1ccccc1NS(C)(=O)=O ZINC000069611477 569693470 /nfs/dbraw/zinc/69/34/70/569693470.db2.gz OGJDHOIDIQCIHC-QMMMGPOBSA-N 0 0 482.219 4.136 50 0 JIAARN CCc1ccc(-c2nn3c(nc2=O)-c2ccccc2N2C(=O)c4c(ccc(OC)c4OC)[C@@H]23)cc1 ZINC000069701101 569693640 /nfs/dbraw/zinc/69/36/40/569693640.db2.gz IMLPNHGSBMFBAD-SANMLTNESA-N 0 0 466.497 4.073 50 0 JIAARN Cc1ccc(NC(=O)Cc2nc(CSc3nnc(N4CCCC4)n3C[C@H]3CCCO3)cs2)cc1 ZINC000069946415 569694095 /nfs/dbraw/zinc/69/40/95/569694095.db2.gz IAGZPAQZSASBIG-HXUWFJFHSA-N 0 0 498.678 4.296 50 0 JIAARN O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000069946561 569694135 /nfs/dbraw/zinc/69/41/35/569694135.db2.gz HDNOADRJUIYSIZ-LJQANCHMSA-N 0 0 456.384 4.143 50 0 JIAARN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N1CCCC[C@H]1C(=O)N1CCCC1 ZINC000069977473 569694366 /nfs/dbraw/zinc/69/43/66/569694366.db2.gz WNDHPVMHTRKZBG-FQEVSTJZSA-N 0 0 451.596 4.358 50 0 JIAARN COc1cc(C(=O)Nc2ccc(SCc3cc(=O)n4oc(C)cc4n3)cc2)cc(OC)c1OC ZINC000035429563 569694919 /nfs/dbraw/zinc/69/49/19/569694919.db2.gz WALDFXHCJGHAES-UHFFFAOYSA-N 0 0 481.530 4.166 50 0 JIAARN Cc1cc(C)cc(NC(=O)CN2c3cc(C(=O)N4CCCCC4)ccc3N3CCCC[C@@H]3C2=O)c1 ZINC000035446101 569695867 /nfs/dbraw/zinc/69/58/67/569695867.db2.gz FFPNJMWXXIAVAA-XMMPIXPASA-N 0 0 474.605 4.274 50 0 JIAARN COc1ccc(-c2noc(N3CCC(C(=O)Nc4cccc(SC)c4)CC3)n2)cc1OC ZINC000035447379 569696034 /nfs/dbraw/zinc/69/60/34/569696034.db2.gz LYUZUWQCXYWHOJ-UHFFFAOYSA-N 0 0 454.552 4.331 50 0 JIAARN Cc1ccc(S(=O)(=O)NCCc2nc(-c3ccc4c(c3)ncn4C3CCCC3)no2)cc1 ZINC000035453692 569697228 /nfs/dbraw/zinc/69/72/28/569697228.db2.gz SATGGYXBGPICTC-UHFFFAOYSA-N 0 0 451.552 4.031 50 0 JIAARN CN1c2ccc(-c3noc(CN4C(=O)COc5ccccc54)n3)cc2Sc2ccccc2C1=O ZINC000035453781 569697265 /nfs/dbraw/zinc/69/72/65/569697265.db2.gz HLOHCVCDRHKRJC-UHFFFAOYSA-N 0 0 470.510 4.403 50 0 JIAARN CCn1cc(-c2nnc(SCC(=O)NCc3ccc4c(c3)OCCCO4)n2C)c2ccccc21 ZINC000035453980 569697430 /nfs/dbraw/zinc/69/74/30/569697430.db2.gz OEEAUAJRQQTZDU-UHFFFAOYSA-N 0 0 477.590 4.027 50 0 JIAARN CC(C)c1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(C(F)(F)F)cc4)c3)nc2)n1 ZINC000071768329 569697482 /nfs/dbraw/zinc/69/74/82/569697482.db2.gz PVHUMXSEXGNBBR-UHFFFAOYSA-N 0 0 456.428 4.390 50 0 JIAARN C[C@H](Cc1nnc2n1-c1ccccc1C(c1ccccc1Cl)=NC2)N1C(=O)c2ccccc2C1=O ZINC000071769687 569697782 /nfs/dbraw/zinc/69/77/82/569697782.db2.gz JOZRIRABQQWDPO-MRXNPFEDSA-N 0 0 481.943 4.499 50 0 JIAARN Cc1ccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4ccc(F)c(Cl)c4)ccc32)cc1 ZINC000035510579 569698224 /nfs/dbraw/zinc/69/82/24/569698224.db2.gz KDPFOPNCVVUAFZ-UHFFFAOYSA-N 0 0 458.942 4.469 50 0 JIAARN O=C(c1ccc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2c1)N1CCN(c2ccccn2)CC1 ZINC000035512298 569698404 /nfs/dbraw/zinc/69/84/04/569698404.db2.gz CTHWTHZFUKGVOO-UHFFFAOYSA-N 0 0 496.590 4.058 50 0 JIAARN O=C(Cn1c(=O)onc1-c1cccs1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000071826653 569698734 /nfs/dbraw/zinc/69/87/34/569698734.db2.gz HLZUOUQEIGAEFG-INIZCTEOSA-N 0 0 454.895 4.189 50 0 JIAARN O=C(NCCc1ccccc1)c1cccn(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1=O ZINC000035527198 569699099 /nfs/dbraw/zinc/69/90/99/569699099.db2.gz LBOLFCKBPZRICN-UHFFFAOYSA-N 0 0 455.489 4.201 50 0 JIAARN Cc1ccc(-c2noc([C@H]3CCCN3C(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)n2)cc1 ZINC000035527790 569699436 /nfs/dbraw/zinc/69/94/36/569699436.db2.gz BQJOQDFYNOGEAH-YADHBBJMSA-N 0 0 482.606 4.020 50 0 JIAARN CCCCCn1c2nnc(CCC(=O)NCCc3ccc(Cl)cc3)n2c2ccsc2c1=O ZINC000035528630 569699891 /nfs/dbraw/zinc/69/98/91/569699891.db2.gz TUYDEEJBCLPQOE-UHFFFAOYSA-N 0 0 472.014 4.241 50 0 JIAARN CC(C)c1ccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3C[C@H]2CCCO2)cc1 ZINC000035532419 569700792 /nfs/dbraw/zinc/70/07/92/569700792.db2.gz BIOJMMZNPWTTPT-QGZVFWFLSA-N 0 0 483.619 4.139 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1ncnc2nc(N3CCC[C@H](C)C3)sc21 ZINC000035533486 569701152 /nfs/dbraw/zinc/70/11/52/569701152.db2.gz DCXOEMRIXRGYAD-AWEZNQCLSA-N 0 0 471.608 4.230 50 0 JIAARN O=C(Nc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1)c1cccs1 ZINC000072315815 569702115 /nfs/dbraw/zinc/70/21/15/569702115.db2.gz QYYYTSBRSJYZFZ-UHFFFAOYSA-N 0 0 495.626 4.378 50 0 JIAARN COc1ccccc1N1CCN(C(=O)CSc2cc(NCc3ccccc3Cl)ncn2)CC1 ZINC000035537545 569702298 /nfs/dbraw/zinc/70/22/98/569702298.db2.gz DFXBCIJYXZGTJF-UHFFFAOYSA-N 0 0 484.025 4.192 50 0 JIAARN COc1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NCc2ccccc2)cc1OC ZINC000035553487 569702546 /nfs/dbraw/zinc/70/25/46/569702546.db2.gz OYQZKQQKYGXTQE-AREMUKBSSA-N 0 0 475.570 4.456 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(CC)c4)CC3)c(C)s2)no1 ZINC000035553884 569702623 /nfs/dbraw/zinc/70/26/23/569702623.db2.gz VOYQNUKWBLKNQN-UHFFFAOYSA-N 0 0 488.635 4.271 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccc(C)c4C)C3)c(C)s2)no1 ZINC000035555281 569702724 /nfs/dbraw/zinc/70/27/24/569702724.db2.gz JFABDENNBLTTKZ-QGZVFWFLSA-N 0 0 474.608 4.071 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(C)cc4C)C3)c(C)s2)no1 ZINC000035555388 569702881 /nfs/dbraw/zinc/70/28/81/569702881.db2.gz CEIWWJRXBMSMGO-KRWDZBQOSA-N 0 0 474.608 4.071 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cc(C)ccc4C)C3)c(C)s2)no1 ZINC000035555653 569703076 /nfs/dbraw/zinc/70/30/76/569703076.db2.gz DEBKIQCKGJKDPA-KRWDZBQOSA-N 0 0 488.635 4.325 50 0 JIAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCC(C)CC2)C1 ZINC000035555870 569703146 /nfs/dbraw/zinc/70/31/46/569703146.db2.gz LGRJLZIUILOYFE-GMXGEUMGSA-N 0 0 492.667 4.080 50 0 JIAARN O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)CC1 ZINC000035558028 569703466 /nfs/dbraw/zinc/70/34/66/569703466.db2.gz JQPQXVMFFBUFPR-UHFFFAOYSA-N 0 0 493.010 4.368 50 0 JIAARN CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)cc4Cl)CC3)c2)no1 ZINC000035558018 569703467 /nfs/dbraw/zinc/70/34/67/569703467.db2.gz CSQMGESWBCUCSM-UHFFFAOYSA-N 0 0 498.989 4.192 50 0 JIAARN O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NCc1cccc(Cl)c1 ZINC000035559175 569703592 /nfs/dbraw/zinc/70/35/92/569703592.db2.gz PCXSISNGCYQZAG-QHCPKHFHSA-N 0 0 472.969 4.474 50 0 JIAARN CCOc1ccc(CNC(=O)C[C@@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000035559236 569703683 /nfs/dbraw/zinc/70/36/83/569703683.db2.gz DWNKZJYHZZRLKA-RUZDIDTESA-N 0 0 482.577 4.219 50 0 JIAARN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@H](c1ccc(OCc3ccccc3F)cc1)CC(=O)N2 ZINC000072402767 569703794 /nfs/dbraw/zinc/70/37/94/569703794.db2.gz GWSDRLCOEWOQJD-GOSISDBHSA-N 0 0 469.480 4.039 50 0 JIAARN C[C@H](NC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1Cc1ccccc1)c1ccccc1 ZINC000035561360 569704286 /nfs/dbraw/zinc/70/42/86/569704286.db2.gz QWKYJAIDZWURFU-IBGZPJMESA-N 0 0 461.587 4.431 50 0 JIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2nc(NC(=O)c3cnccn3)sc2C1 ZINC000077196245 569705119 /nfs/dbraw/zinc/70/51/19/569705119.db2.gz LTIHDRCEBDUSHW-UHFFFAOYSA-N 0 0 480.937 4.001 50 0 JIAARN COc1cc(Cn2nc(-c3ccc(F)cc3)c3sc(N4CCCC4)nc3c2=O)cc(OC)c1 ZINC000035590675 569705225 /nfs/dbraw/zinc/70/52/25/569705225.db2.gz WDVKHDPWFZCLGD-UHFFFAOYSA-N 0 0 466.538 4.325 50 0 JIAARN O=C1N[C@H](c2ccc(-c3cccc(F)c3)o2)C(=C(O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 ZINC000035633370 569705692 /nfs/dbraw/zinc/70/56/92/569705692.db2.gz SZFMCXIQFSYJME-UEXGIBASSA-N 0 0 466.362 4.329 50 0 JIAARN COc1cc(C(=O)Nc2cc3c(cc2C(=O)c2ccc(F)cc2)OCCO3)cc(OC)c1OC ZINC000035655359 569705848 /nfs/dbraw/zinc/70/58/48/569705848.db2.gz AAMNBRXFDLTTHW-UHFFFAOYSA-N 0 0 467.449 4.106 50 0 JIAARN COc1cc([C@H]2CC(=O)Nc3ncn(-c4ccc(C(F)(F)F)cc4)c32)c(OC)c2c1OCO2 ZINC000078546812 569706279 /nfs/dbraw/zinc/70/62/79/569706279.db2.gz CVJGOIFKWKOTQW-CYBMUJFWSA-N 0 0 461.396 4.111 50 0 JIAARN CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnc3c4ccccc4n(CC)c3n2)cc1 ZINC000079199801 569707312 /nfs/dbraw/zinc/70/73/12/569707312.db2.gz BNHLDWHRVWQSOT-UHFFFAOYSA-N 0 0 462.579 4.212 50 0 JIAARN COc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nnc(-c3cccc(Br)c3)s2)c1 ZINC000035724339 569708432 /nfs/dbraw/zinc/70/84/32/569708432.db2.gz QAUTZWDHCPNPCV-QGZVFWFLSA-N 0 0 487.379 4.220 50 0 JIAARN CC[C@H](C)[C@H](NC(=O)Nc1cc(OC)cc(OC)c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000035725048 569708628 /nfs/dbraw/zinc/70/86/28/569708628.db2.gz XKKLEIATMIUSSD-XOBRGWDASA-N 0 0 499.593 4.406 50 0 JIAARN CCCCCC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)N3CCC(C)CC3)n2)C[C@@H]1C ZINC000035726914 569708887 /nfs/dbraw/zinc/70/88/87/569708887.db2.gz KVRVLLKXWDKMKS-SFHVURJKSA-N 0 0 482.094 4.098 50 0 JIAARN CC[C@H](C)[C@@H](NC(=O)Nc1cccc(OC)c1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000035729447 569709046 /nfs/dbraw/zinc/70/90/46/569709046.db2.gz UGRBHFIASGJONJ-ORAYPTAESA-N 0 0 483.550 4.117 50 0 JIAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000084522571 569709226 /nfs/dbraw/zinc/70/92/26/569709226.db2.gz OVSBEBXHYNKMOK-FBPBVXOASA-N 0 0 458.027 4.466 50 0 JIAARN COc1ccc(CC(=O)N2CCN(c3ccc(NC(=O)Nc4ccc(OC)cc4)cc3)CC2)cc1 ZINC000035746512 569709501 /nfs/dbraw/zinc/70/95/01/569709501.db2.gz SJLAQTLPSQYMJK-UHFFFAOYSA-N 0 0 474.561 4.239 50 0 JIAARN CC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2)c1ccccc1 ZINC000084734690 569709609 /nfs/dbraw/zinc/70/96/09/569709609.db2.gz LUKOXWGHDHQISN-DEOSSOPVSA-N 0 0 471.557 4.033 50 0 JIAARN O=C(c1ccccc1CSc1nnc(-c2ccco2)n1Cc1ccccc1)N1CCOCC1 ZINC000085410531 569710529 /nfs/dbraw/zinc/71/05/29/569710529.db2.gz OQGQCNBITWFAJZ-UHFFFAOYSA-N 0 0 460.559 4.351 50 0 JIAARN COc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2OC)c(OC)c1 ZINC000035802802 569711322 /nfs/dbraw/zinc/71/13/22/569711322.db2.gz LKCHWBLYNORGKO-CVJWPJSTSA-N 0 0 455.551 4.230 50 0 biogenic JIAARN CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000085642610 569711797 /nfs/dbraw/zinc/71/17/97/569711797.db2.gz UOBWCCNTUPATRK-UHFFFAOYSA-N 0 0 466.607 4.091 50 0 JIAARN COc1cccc(N2CCN(C(=O)C[C@H]3COc4ccccc4N3Cc3ccccc3)CC2)c1 ZINC000085648703 569712243 /nfs/dbraw/zinc/71/22/43/569712243.db2.gz AQVLCQZSQWAXFD-DEOSSOPVSA-N 0 0 457.574 4.202 50 0 JIAARN Cc1cc(Nc2nc(C(=O)N3CCN(c4ncccn4)CC3)cc3occc32)ccc1Br ZINC000085651250 569713056 /nfs/dbraw/zinc/71/30/56/569713056.db2.gz MJXZNDDQSHSSKP-UHFFFAOYSA-N 0 0 493.365 4.395 50 0 JIAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=CN2[C@@H]3C(=O)c2ccccc2)cc1 ZINC000035830078 569713136 /nfs/dbraw/zinc/71/31/36/569713136.db2.gz VTNJXFGOJXUSFF-QYOOZWMWSA-N 0 0 464.521 4.089 50 0 JIAARN Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)Nc3c(C)cccc3C)c2)ccc1=O ZINC000085651982 569713680 /nfs/dbraw/zinc/71/36/80/569713680.db2.gz CALVSOJKXCCFSY-UHFFFAOYSA-N 0 0 464.547 4.230 50 0 JIAARN Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)ccc1=O ZINC000085652025 569713690 /nfs/dbraw/zinc/71/36/90/569713690.db2.gz CKYYYIFIRQPBLE-UHFFFAOYSA-N 0 0 464.547 4.230 50 0 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/nfs/dbraw/zinc/71/89/43/569718943.db2.gz CXVKYSRTTJXPOB-JWNTYJGQSA-N 0 0 481.522 4.240 50 0 JIAARN Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccccc4Cl)CC3)c2cc1C(C)C ZINC000089608986 569719084 /nfs/dbraw/zinc/71/90/84/569719084.db2.gz XKAQDYOJIALFDR-UHFFFAOYSA-N 0 0 475.010 4.385 50 0 JIAARN COc1ccc(CCN2C[C@@H](C(=O)Nc3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1OC ZINC000089641130 569719275 /nfs/dbraw/zinc/71/92/75/569719275.db2.gz HGRCDWSJUCOZRG-IBGZPJMESA-N 0 0 465.575 4.165 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cc1 ZINC000089639182 569719302 /nfs/dbraw/zinc/71/93/02/569719302.db2.gz MWHPUAYHAKVXCV-UHFFFAOYSA-N 0 0 481.393 4.359 50 0 JIAARN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000089775805 569719705 /nfs/dbraw/zinc/71/97/05/569719705.db2.gz HMXJPBODKBQCBI-RPLLCQBOSA-N 0 0 477.649 4.211 50 0 JIAARN CC(C)C[C@H](C(=O)OCC(=O)C(C)(C)C)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000035877326 569719786 /nfs/dbraw/zinc/71/97/86/569719786.db2.gz BYEXFDFSTFLUGE-AFJKDJQLSA-N 0 0 487.596 4.452 50 0 JIAARN COc1ccc(CCN2Cc3cc(NC(=O)COc4ccccc4)ccc3O[C@@H](C)C2=O)cc1 ZINC000035884707 569720272 /nfs/dbraw/zinc/72/02/72/569720272.db2.gz ZSXSYNMWOYABKR-IBGZPJMESA-N 0 0 460.530 4.065 50 0 JIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3cc4ccccc4o3)cc2)C1 ZINC000089920265 569720514 /nfs/dbraw/zinc/72/05/14/569720514.db2.gz AGJPICVRJZUGCY-CALCHBBNSA-N 0 0 455.532 4.139 50 0 JIAARN CCCSc1nc2ccccc2n1CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 ZINC000089960409 569720590 /nfs/dbraw/zinc/72/05/90/569720590.db2.gz YCDZONMHMVMJAI-UHFFFAOYSA-N 0 0 458.653 4.119 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccc(O)c2)c1 ZINC000089969521 569720600 /nfs/dbraw/zinc/72/06/00/569720600.db2.gz QIYPGZIUEZBPKW-UHFFFAOYSA-N 0 0 488.949 4.056 50 0 JIAARN COc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000035887630 569720865 /nfs/dbraw/zinc/72/08/65/569720865.db2.gz JIUNVSYGJIFNQF-UHFFFAOYSA-N 0 0 450.970 4.309 50 0 JIAARN Cc1nc(C)c(Cc2ccccc2Cl)c(N2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000035887972 569721213 /nfs/dbraw/zinc/72/12/13/569721213.db2.gz IGXRPXNGMIQHJK-UHFFFAOYSA-N 0 0 450.970 4.065 50 0 JIAARN Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(Br)c(I)c1 ZINC000095348992 569722432 /nfs/dbraw/zinc/72/24/32/569722432.db2.gz GYGGVIHKDUBCFP-QMMMGPOBSA-N 0 0 462.129 4.146 50 0 JIAARN COc1ccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)c(=O)oc2c1 ZINC000095471150 569723418 /nfs/dbraw/zinc/72/34/18/569723418.db2.gz ZPPIDSUVVKWEFY-UHFFFAOYSA-N 0 0 464.499 4.163 50 0 JIAARN CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000095474074 569724041 /nfs/dbraw/zinc/72/40/41/569724041.db2.gz RQBJLHJFLJLWAV-SISBPESGSA-N 0 0 465.597 4.455 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)COc3ccccc3)CC2)n1 ZINC000035908638 569724306 /nfs/dbraw/zinc/72/43/06/569724306.db2.gz NNIJDBDGZCIARG-UHFFFAOYSA-N 0 0 484.604 4.194 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)C(C)C)CC3)c12 ZINC000035908810 569724409 /nfs/dbraw/zinc/72/44/09/569724409.db2.gz PIQPJCJQEFJECR-UHFFFAOYSA-N 0 0 454.578 4.019 50 0 JIAARN COc1cccc(CC(=O)Nc2ccc3c(c2)CN(CCc2ccc(F)cc2)C(=O)[C@@H](C)O3)c1 ZINC000035909435 569724603 /nfs/dbraw/zinc/72/46/03/569724603.db2.gz IICWDNWFYPVVDC-GOSISDBHSA-N 0 0 462.521 4.368 50 0 JIAARN Cc1cc(C)c(NC(=O)CCc2nc(CSc3nnc(-c4cccnc4)o3)no2)c(C)c1 ZINC000095481961 569724835 /nfs/dbraw/zinc/72/48/35/569724835.db2.gz NIFCXELZHBWQSS-UHFFFAOYSA-N 0 0 450.524 4.303 50 0 JIAARN COc1ccccc1-c1noc(-c2ccc3c(c2)[nH]c(=O)n(Cc2ccc(Cl)cc2)c3=O)n1 ZINC000095537159 569725888 /nfs/dbraw/zinc/72/58/88/569725888.db2.gz XSBLJFSKUFWGEZ-UHFFFAOYSA-N 0 0 460.877 4.117 50 0 JIAARN COc1cccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)c(F)c5)no4)ccn3n2)c1 ZINC000095542774 569726732 /nfs/dbraw/zinc/72/67/32/569726732.db2.gz LKIHXCVADWAIIN-UHFFFAOYSA-N 0 0 451.845 4.062 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccco4)n3c2=O)nn1-c1cc(C)ccc1C ZINC000035911766 569726964 /nfs/dbraw/zinc/72/69/64/569726964.db2.gz CCTXZEIWCMCSCV-UHFFFAOYSA-N 0 0 487.585 4.294 50 0 JIAARN CCc1nc(-c2ccccc2)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1cccc(OC)c1 ZINC000095550777 569727530 /nfs/dbraw/zinc/72/75/30/569727530.db2.gz ZQLZADSUHLLCJX-UHFFFAOYSA-N 0 0 459.594 4.109 50 0 JIAARN Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c1ncnc2N ZINC000095550949 569727564 /nfs/dbraw/zinc/72/75/64/569727564.db2.gz SIXVRXARNAVBTC-UHFFFAOYSA-N 0 0 451.452 4.368 50 0 in-vitro JIAARN CCOC(=O)CCCOc1cccn2c(=O)c(-c3cc(C)n(-c4ccccc4C)n3)c(C)nc12 ZINC000035924600 569728042 /nfs/dbraw/zinc/72/80/42/569728042.db2.gz QMJDOIPTZRZUGO-UHFFFAOYSA-N 0 0 460.534 4.195 50 0 JIAARN CCOC(=O)CCCOc1cccn2c(=O)c(-c3cc(C)n(-c4cccc(F)c4)n3)c(C)nc12 ZINC000035924628 569728067 /nfs/dbraw/zinc/72/80/67/569728067.db2.gz LOVIIJKYCIHDTO-UHFFFAOYSA-N 0 0 464.497 4.025 50 0 JIAARN CCOc1ccc(CNC(=O)CCc2nnc3c4cc(-c5cc(C)ccc5C)nn4ccn23)cc1 ZINC000095609139 569728124 /nfs/dbraw/zinc/72/81/24/569728124.db2.gz DOTOEADNOGMGPI-UHFFFAOYSA-N 0 0 468.561 4.309 50 0 JIAARN CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3ccccc3)CC2)n1 ZINC000035925591 569729008 /nfs/dbraw/zinc/72/90/08/569729008.db2.gz VZBGUUXYFYXXAD-UHFFFAOYSA-N 0 0 454.578 4.367 50 0 JIAARN CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)CCC(=O)OCC)CC2)n1 ZINC000035925960 569729400 /nfs/dbraw/zinc/72/94/00/569729400.db2.gz MYWLAJKIOMWLNI-FQEVSTJZSA-N 0 0 492.624 4.101 50 0 JIAARN Nc1c2c(nn1Cc1ccccc1)nc(N1CCN(c3ccccc3)CC1)nc2-c1ccccc1 ZINC000035929442 569731400 /nfs/dbraw/zinc/73/14/00/569731400.db2.gz FWXQVFTUJOJDNW-UHFFFAOYSA-N 0 0 461.573 4.450 50 0 JIAARN COC(=O)CN[C@H](c1ccccc1)c1cc(C)ccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000035945874 569732994 /nfs/dbraw/zinc/73/29/94/569732994.db2.gz KBHAPPIEQCECJB-RUZDIDTESA-N 0 0 478.545 4.125 50 0 JIAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(OC)cc1 ZINC000035945966 569733200 /nfs/dbraw/zinc/73/32/00/569733200.db2.gz VQPXNLQOJBIOOY-HSZRJFAPSA-N 0 0 487.000 4.094 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(F)cc1)C(=O)C1CCC1 ZINC000035947499 569734503 /nfs/dbraw/zinc/73/45/03/569734503.db2.gz UHQVXPCRUNRMEV-HSZRJFAPSA-N 0 0 471.960 4.432 50 0 JIAARN COc1cc(OC)c([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cc1OC ZINC000096115858 569734913 /nfs/dbraw/zinc/73/49/13/569734913.db2.gz WMDRWROYIONUMG-DHLKQENFSA-N 0 0 473.481 4.350 50 0 biogenic JIAARN COC(=O)COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000096115988 569735178 /nfs/dbraw/zinc/73/51/78/569735178.db2.gz LOXABZPRNVPMCG-KRWDZBQOSA-N 0 0 472.449 4.158 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccco1 ZINC000035948284 569735268 /nfs/dbraw/zinc/73/52/68/569735268.db2.gz CIEWASGRFXJVML-LJQANCHMSA-N 0 0 471.966 4.461 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1OC)C(=O)c1cccs1 ZINC000035948422 569735361 /nfs/dbraw/zinc/73/53/61/569735361.db2.gz GMZSNYYFMHSCPQ-LJQANCHMSA-N 0 0 483.615 4.285 50 0 JIAARN COc1ccccc1[C@@H]1CC(c2cccs2)=NN1C(=O)CN(C)C(=O)c1ccccc1F ZINC000035948457 569735382 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DIFOHEMTBBOKNZ-XMMPIXPASA-N 0 0 470.635 4.467 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000012796355 195136181 /nfs/dbraw/zinc/13/61/81/195136181.db2.gz NLNJBGPICXXYFY-XMMPIXPASA-N 0 0 482.627 4.488 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC[C@H]2c2cccn2C)Cc2ccco2)cc1 ZINC000012797575 195136982 /nfs/dbraw/zinc/13/69/82/195136982.db2.gz TVWXFRYSZQQHBH-DEOSSOPVSA-N 0 0 469.607 4.261 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3sccc3c(=O)n2-c2ccccc2)cc1 ZINC000012797321 195137055 /nfs/dbraw/zinc/13/70/55/195137055.db2.gz IVKVGXUGDMNLTB-UHFFFAOYSA-N 0 0 465.556 4.355 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000012797942 195137379 /nfs/dbraw/zinc/13/73/79/195137379.db2.gz GSANXXRYMUVQOX-NRFANRHFSA-N 0 0 496.589 4.040 50 0 JIAARN CC(C)Cn1c(=O)c2c3c(sc2nc1S[C@H](C)C(=O)c1ccc2c(c1)NC(=O)CO2)CCC3 ZINC000012800508 195139053 /nfs/dbraw/zinc/13/90/53/195139053.db2.gz PGDWKWAQHAWPHB-CYBMUJFWSA-N 0 0 483.615 4.297 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(SCCOc1cc(C)cc(C)c1)n(C[C@H]1CCCO1)c2=O ZINC000012801632 195139471 /nfs/dbraw/zinc/13/94/71/195139471.db2.gz GQMXNQGAEXGUTQ-LJQANCHMSA-N 0 0 468.575 4.150 50 0 JIAARN O=C(COc1ccccc1Br)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012801507 195139527 /nfs/dbraw/zinc/13/95/27/195139527.db2.gz XTOGITZRWQFYCM-UHFFFAOYSA-N 0 0 467.385 4.031 50 0 JIAARN C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012802608 195139986 /nfs/dbraw/zinc/13/99/86/195139986.db2.gz PEIUFGGQYRDWEI-SNVBAGLBSA-N 0 0 463.239 4.312 50 0 JIAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1ccc2c(c1)OCCO2 ZINC000012802826 195140336 /nfs/dbraw/zinc/14/03/36/195140336.db2.gz ROZFVDMRENNVAT-AWEZNQCLSA-N 0 0 499.416 4.043 50 0 JIAARN Cc1ccc([C@H](NC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cc1C ZINC000012806634 195142108 /nfs/dbraw/zinc/14/21/08/195142108.db2.gz SEBFVBHGRHYLPG-RUZDIDTESA-N 0 0 498.410 4.362 50 0 JIAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000012807731 195142574 /nfs/dbraw/zinc/14/25/74/195142574.db2.gz PDKJMXVBQXKRHC-CQSZACIVSA-N 0 0 473.323 4.074 50 0 JIAARN Cc1c(Cl)cccc1Nc1nnc(SCC(=O)NC[C@@H]2COc3ccccc3O2)s1 ZINC000012812321 195144700 /nfs/dbraw/zinc/14/47/00/195144700.db2.gz RSOGQICSCOBEAS-CYBMUJFWSA-N 0 0 462.984 4.292 50 0 JIAARN Cn1c(=O)c2c(-c3cccs3)csc2nc1SCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000012817188 195147532 /nfs/dbraw/zinc/14/75/32/195147532.db2.gz NFMJPOUEXBFBRD-UHFFFAOYSA-N 0 0 496.683 4.160 50 0 JIAARN O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000012818288 195147959 /nfs/dbraw/zinc/14/79/59/195147959.db2.gz OXAVTRAZINNIEE-UHFFFAOYSA-N 0 0 466.953 4.456 50 0 JIAARN O=C(CSc1nnc(NCCc2ccccc2)s1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012818985 195148413 /nfs/dbraw/zinc/14/84/13/195148413.db2.gz IHGIGNKUWHZMBZ-IBGZPJMESA-N 0 0 482.631 4.420 50 0 JIAARN CCN1CCc2nc3ccccc3c(C(=O)NCCc3ccc(OC(F)F)c(OC)c3)c2C1 ZINC000012819539 195148676 /nfs/dbraw/zinc/14/86/76/195148676.db2.gz PFWDAQVFQGPXPN-UHFFFAOYSA-N 0 0 455.505 4.195 50 0 JIAARN COc1ccc(CN(CC(F)(F)F)C(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1 ZINC000012821069 195149339 /nfs/dbraw/zinc/14/93/39/195149339.db2.gz CDNVXJADXWJQPF-UHFFFAOYSA-N 0 0 465.859 4.408 50 0 JIAARN O=C(CS[C@@H]1CC(=O)N(c2ccccc2)C1=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000012821261 195149342 /nfs/dbraw/zinc/14/93/42/195149342.db2.gz HKZZMLLUCBFWNV-OAQYLSRUSA-N 0 0 463.486 4.027 50 0 JIAARN COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)N[C@@H](C)CCC(C)C)c1OC ZINC000012822475 195150058 /nfs/dbraw/zinc/15/00/58/195150058.db2.gz LZGXFBUGEFBWGN-HNNXBMFYSA-N 0 0 452.548 4.198 50 0 JIAARN CC1=C(C(=O)N(C)C)[C@@H](c2ccccc2Br)NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000012822784 195150102 /nfs/dbraw/zinc/15/01/02/195150102.db2.gz ZRHIPOZFHPLNQW-HXUWFJFHSA-N 0 0 488.407 4.018 50 0 JIAARN CC(C)CN(Cn1nc(Nc2cccc(Br)c2)sc1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012823133 195150344 /nfs/dbraw/zinc/15/03/44/195150344.db2.gz RDORFIJKHWUQTP-OAHLLOKOSA-N 0 0 491.502 4.283 50 0 JIAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012861172 195159035 /nfs/dbraw/zinc/15/90/35/195159035.db2.gz WKWKLEZMNLJOGO-UHFFFAOYSA-N 0 0 494.400 4.114 50 0 JIAARN Cn1c(CCC(N)=O)nnc1Sc1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC000012873028 195164320 /nfs/dbraw/zinc/16/43/20/195164320.db2.gz VBEVLMMMROKRHK-UHFFFAOYSA-N 0 0 493.662 4.042 50 0 JIAARN Cc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)N1CCCCCC1 ZINC000012873477 195164730 /nfs/dbraw/zinc/16/47/30/195164730.db2.gz PVIXBSHAKSMDPN-UHFFFAOYSA-N 0 0 486.569 4.320 50 0 JIAARN COc1cccc([C@H]2CN3C(=O)CN(Cc4ccccc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC ZINC000012873900 195164886 /nfs/dbraw/zinc/16/48/86/195164886.db2.gz SKMQWLXFINUXBD-RCRUUEGKSA-N 0 0 495.579 4.417 50 0 biogenic JIAARN COc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4ccccc4)c(C(C)=O)s3)CC2=O)c(OC)c1 ZINC000012874470 195165209 /nfs/dbraw/zinc/16/52/09/195165209.db2.gz SAMZAEZCQARAEB-INIZCTEOSA-N 0 0 465.531 4.022 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3Cl)C2)s1 ZINC000012876115 195166062 /nfs/dbraw/zinc/16/60/62/195166062.db2.gz PXHAQPJGLWIADX-OAHLLOKOSA-N 0 0 461.436 4.123 50 0 JIAARN CC(C)(C)c1ccc(O)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000012887696 195171238 /nfs/dbraw/zinc/17/12/38/195171238.db2.gz MHHIHZQGIJVYEQ-UHFFFAOYSA-N 0 0 456.608 4.218 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000012900522 195177099 /nfs/dbraw/zinc/17/70/99/195177099.db2.gz APQSGNIPOIERKV-UHFFFAOYSA-N 0 0 456.340 4.442 50 0 JIAARN CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@H](C)c1ccccc1 ZINC000012888911 195171815 /nfs/dbraw/zinc/17/18/15/195171815.db2.gz UGJPRYZJYHYVFF-PFRWVPFRSA-N 0 0 465.619 4.053 50 0 biogenic JIAARN O=S(=O)(c1ccccc1)N(C[C@@H](O)COCc1ccccc1)c1nc2ccccc2s1 ZINC000012890759 195172823 /nfs/dbraw/zinc/17/28/23/195172823.db2.gz LJMQYKDASDTHFO-LJQANCHMSA-N 0 0 454.573 4.069 50 0 JIAARN Cc1ccc(CCC2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)cc1 ZINC000012900728 195177258 /nfs/dbraw/zinc/17/72/58/195177258.db2.gz STZPDTCNNPWSBI-UHFFFAOYSA-N 0 0 472.626 4.406 50 0 JIAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000012896289 195175415 /nfs/dbraw/zinc/17/54/15/195175415.db2.gz WBZKQHQJBSBGAG-AREMUKBSSA-N 0 0 484.537 4.132 50 0 JIAARN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000012897704 195176123 /nfs/dbraw/zinc/17/61/23/195176123.db2.gz BLNNVFZLFFZBQQ-MEDUHNTESA-N 0 0 482.389 4.203 50 0 JIAARN COc1cc2c(c3oc(=O)c(CC(=O)N[C@H](C)CCc4ccco4)c(C)c13)CCC(C)(C)O2 ZINC000012899055 195176618 /nfs/dbraw/zinc/17/66/18/195176618.db2.gz WDQFKSZCFUYQOB-OAHLLOKOSA-N 0 0 453.535 4.487 50 0 biogenic JIAARN COc1cccc(N2CCN(C(=O)Cc3csc(Nc4[nH]c(=S)nc5ccccc54)n3)CC2)c1 ZINC000020646185 195194856 /nfs/dbraw/zinc/19/48/56/195194856.db2.gz YELQEVHOFILQCH-UHFFFAOYSA-N 0 0 492.630 4.392 50 0 JIAARN CCCOc1c(Br)cc(C(=O)OCC(=O)NCc2ccccc2C)cc1OC ZINC000012901909 195177817 /nfs/dbraw/zinc/17/78/17/195177817.db2.gz OMOSBYIHFVWNPQ-UHFFFAOYSA-N 0 0 450.329 4.028 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3csc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000012902244 195178021 /nfs/dbraw/zinc/17/80/21/195178021.db2.gz QFVHMUYNCOLCDD-UHFFFAOYSA-N 0 0 473.595 4.219 50 0 JIAARN CCOC(=O)c1cc2cc(C(=O)Nc3ccc(OCC)c(S(=O)(=O)N(CC)CC)c3)ccc2[nH]1 ZINC000012907198 195180234 /nfs/dbraw/zinc/18/02/34/195180234.db2.gz RCIAWNCDPVLWJO-UHFFFAOYSA-N 0 0 487.578 4.026 50 0 JIAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1 ZINC000020604859 195180531 /nfs/dbraw/zinc/18/05/31/195180531.db2.gz JUCVDRLZBLFAQS-GOSISDBHSA-N 0 0 456.593 4.411 50 0 JIAARN Cc1nn(CCCNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c(C)c1Br ZINC000020606995 195181290 /nfs/dbraw/zinc/18/12/90/195181290.db2.gz CXUMRTULLMKPRW-UHFFFAOYSA-N 0 0 464.311 4.050 50 0 JIAARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(N4CCCCC4)c4nonc43)sc21 ZINC000020607313 195181322 /nfs/dbraw/zinc/18/13/22/195181322.db2.gz MKRJNXJHEUUCHG-UHFFFAOYSA-N 0 0 450.446 4.432 50 0 JIAARN Cn1ncc(C(=O)Nc2ccccc2Br)c1C(=O)Nc1ccccc1Br ZINC000020616283 195187840 /nfs/dbraw/zinc/18/78/40/195187840.db2.gz YHSUTWUXRLKHKF-UHFFFAOYSA-N 0 0 478.144 4.450 50 0 JIAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000020684747 195204812 /nfs/dbraw/zinc/20/48/12/195204812.db2.gz VJRLSNSMLPPOMD-UHFFFAOYSA-N 0 0 451.530 4.416 50 0 JIAARN O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020713835 195205631 /nfs/dbraw/zinc/20/56/31/195205631.db2.gz KNWDFQRLQRIGNW-NDEPHWFRSA-N 0 0 499.567 4.419 50 0 JIAARN O=C(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1F ZINC000020664832 195197711 /nfs/dbraw/zinc/19/77/11/195197711.db2.gz LLMJOOBJWRXVTO-UHFFFAOYSA-N 0 0 463.328 4.319 50 0 JIAARN COc1ccc(CN2C(=O)[C@](NC(=O)c3ccc(F)cc3)(C(F)(F)F)N=C2c2ccccc2)cc1 ZINC000020808295 195228888 /nfs/dbraw/zinc/22/88/88/195228888.db2.gz GNCXDRXJCUANFQ-DEOSSOPVSA-N 0 0 485.437 4.312 50 0 JIAARN O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)C[S@@]2=O ZINC000020736715 195213413 /nfs/dbraw/zinc/21/34/13/195213413.db2.gz IDYORGGGSSTOAW-WJOKGBTCSA-N 0 0 456.926 4.064 50 0 JIAARN CCCCNS(=O)(=O)c1ccc2nc(-c3cccs3)cc(C(=O)NCCCOCC)c2c1 ZINC000020737628 195213621 /nfs/dbraw/zinc/21/36/21/195213621.db2.gz FXICTSBTIFTQOD-UHFFFAOYSA-N 0 0 475.636 4.198 50 0 JIAARN Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1NC(=O)C1=C(C)OCCS1 ZINC000020919275 195247149 /nfs/dbraw/zinc/24/71/49/195247149.db2.gz XHJPFCTVYYQHHW-UHFFFAOYSA-N 0 0 455.555 4.030 50 0 JIAARN CCc1nn2c(nc(COc3cccc(NC(=O)CSc4ccccc4)c3)cc2=O)s1 ZINC000020859222 195232650 /nfs/dbraw/zinc/23/26/50/195232650.db2.gz FIWFAXIFIZQNHL-UHFFFAOYSA-N 0 0 452.561 4.023 50 0 JIAARN NC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3c(=O)n1C1CCCC1)CCCC2 ZINC000020865542 195234249 /nfs/dbraw/zinc/23/42/49/195234249.db2.gz MOTYTPVCMMWDBA-UHFFFAOYSA-N 0 0 482.631 4.282 50 0 JIAARN CCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(F)cc2)n3C)cc1OC ZINC000020890213 195236743 /nfs/dbraw/zinc/23/67/43/195236743.db2.gz TZQBCJVXLWQQGY-QGZVFWFLSA-N 0 0 469.538 4.093 50 0 JIAARN CCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 ZINC000020893219 195237932 /nfs/dbraw/zinc/23/79/32/195237932.db2.gz XOFUAAIMSJYSOX-UHFFFAOYSA-N 0 0 450.583 4.203 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(-c2ccc(=O)n([C@@H](C)C(=O)c3ccc(C)c(C)c3)n2)ccc1C ZINC000020893654 195238254 /nfs/dbraw/zinc/23/82/54/195238254.db2.gz SMUUSWISZXYRMW-FQEVSTJZSA-N 0 0 481.618 4.310 50 0 JIAARN CC[C@@H](C(=O)NCc1ccccc1F)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937805 195253905 /nfs/dbraw/zinc/25/39/05/195253905.db2.gz RRNYLEPKYJKLOY-QFIPXVFZSA-N 0 0 457.571 4.223 50 0 JIAARN COc1cc(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)cc(OC)c1 ZINC000020939168 195254631 /nfs/dbraw/zinc/25/46/31/195254631.db2.gz JDIFHFFVJCCLQH-UHFFFAOYSA-N 0 0 450.520 4.495 50 0 JIAARN CCOC(=O)C[C@@H]1c2cc(OCC)c(OCC)cc2CCN1CC(=O)Nc1ccc(F)cc1F ZINC000020932228 195251493 /nfs/dbraw/zinc/25/14/93/195251493.db2.gz DNNIGBYPBKMNQY-OAQYLSRUSA-N 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CCOC(=O)C1=C(C)N(CC(=O)Nc2cccc3ccccc32)c2ncnn2[C@@H]1c1ccccc1 ZINC000021349825 195296049 /nfs/dbraw/zinc/29/60/49/195296049.db2.gz FJRQFBBKFJVGPQ-RUZDIDTESA-N 0 0 467.529 4.317 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1)Nc1ccc2ccccc2c1 ZINC000021455573 195301822 /nfs/dbraw/zinc/30/18/22/195301822.db2.gz GGMFPXHDKJKUFU-UHFFFAOYSA-N 0 0 488.613 4.003 50 0 JIAARN O=S(=O)(c1ccc(F)cc1)n1nc(-c2ccco2)nc1NCc1ccc(Br)cc1 ZINC000021524117 195304416 /nfs/dbraw/zinc/30/44/16/195304416.db2.gz AQZFNXZHQXHMSA-UHFFFAOYSA-N 0 0 477.315 4.289 50 0 JIAARN COc1ccccc1N1CCN(C(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)CC1 ZINC000021524732 195304441 /nfs/dbraw/zinc/30/44/41/195304441.db2.gz IXKFTXXRKPBVKB-UHFFFAOYSA-N 0 0 484.556 4.448 50 0 JIAARN CCCn1cnc2nc(CSc3ccccc3NC(=O)[C@H](C)Oc3cccc(C)c3)cc(=O)n21 ZINC000021797387 195322900 /nfs/dbraw/zinc/32/29/00/195322900.db2.gz CYJGVBAJGINNJO-SFHVURJKSA-N 0 0 477.590 4.308 50 0 JIAARN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cccc(NC(=O)NC(C)C)c3)C2)cc1 ZINC000058332982 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/nfs/dbraw/zinc/33/71/06/195337106.db2.gz DBGAVXRCAMGCRC-QVKFZJNVSA-N 0 0 480.590 4.469 50 0 JIAARN O=C(CN1c2cc(C(=O)OC[C@@H]3CCCO3)ccc2Sc2ccccc2C1=O)NCc1ccco1 ZINC000021939723 195338560 /nfs/dbraw/zinc/33/85/60/195338560.db2.gz GJGOILKBUFFMND-IBGZPJMESA-N 0 0 492.553 4.043 50 0 JIAARN CSc1cccc(NC(=O)CN2N=C(c3ccccc3)c3cc(Cl)ccc3S2(=O)=O)c1 ZINC000021942542 195339596 /nfs/dbraw/zinc/33/95/96/195339596.db2.gz DZLZFZJXKNPIFV-UHFFFAOYSA-N 0 0 471.991 4.457 50 0 JIAARN Cc1ccc(F)cc1NC(=O)CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O ZINC000021942503 195339642 /nfs/dbraw/zinc/33/96/42/195339642.db2.gz SXRXPNRIIVRWOO-UHFFFAOYSA-N 0 0 457.914 4.183 50 0 JIAARN Cc1ccc(NC(=O)CN2N=C(c3ccccc3F)c3cc(Cl)ccc3S2(=O)=O)cc1C ZINC000021942630 195339765 /nfs/dbraw/zinc/33/97/65/195339765.db2.gz VXWDUDYWJMXSPH-UHFFFAOYSA-N 0 0 471.941 4.491 50 0 JIAARN CCc1ccccc1NC(=O)CN1N=C(c2ccccc2F)c2cc(Cl)ccc2S1(=O)=O ZINC000021942657 195339775 /nfs/dbraw/zinc/33/97/75/195339775.db2.gz YYKIMBLWYLEGFL-UHFFFAOYSA-N 0 0 471.941 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4.180 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cc(C)ccc3C)c2=O)c(Cl)c1 ZINC000057492607 195347702 /nfs/dbraw/zinc/34/77/02/195347702.db2.gz ABMSVLKKVXTZHD-UHFFFAOYSA-N 0 0 453.951 4.431 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CCc3cccs3)c2=O)cc1Cl ZINC000057493733 195348126 /nfs/dbraw/zinc/34/81/26/195348126.db2.gz XOSGVJKTWOKSHL-UHFFFAOYSA-N 0 0 459.980 4.129 50 0 JIAARN CC(C)c1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CCc3cccs3)c2=O)cc1 ZINC000057493847 195348142 /nfs/dbraw/zinc/34/81/42/195348142.db2.gz HPMPIFJARYJWRU-UHFFFAOYSA-N 0 0 453.589 4.291 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CCc3cccs3)c2=O)c(Cl)c1 ZINC000057493903 195348152 /nfs/dbraw/zinc/34/81/52/195348152.db2.gz RWTNWBTZHSBZFZ-UHFFFAOYSA-N 0 0 459.980 4.129 50 0 JIAARN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N[C@@H](C)C(=O)N(C)C)c2c1C ZINC000057763593 195359502 /nfs/dbraw/zinc/35/95/02/195359502.db2.gz VDQVJZIKFVVJHM-AWEZNQCLSA-N 0 0 458.609 4.357 50 0 JIAARN Cn1nnnc1Sc1ccc(Br)cc1NC(=O)Cc1ccc2ccccc2c1 ZINC000058440307 195379573 /nfs/dbraw/zinc/37/95/73/195379573.db2.gz BDYXUSZSFXKSQR-UHFFFAOYSA-N 0 0 454.353 4.458 50 0 JIAARN CCOc1ccc(NC(=O)c2ccc(N(C)C3CCCCC3)cc2)cc1S(=O)(=O)N(C)C ZINC000057994803 195361336 /nfs/dbraw/zinc/36/13/36/195361336.db2.gz WAVWFBDAFUMSGY-UHFFFAOYSA-N 0 0 459.612 4.357 50 0 JIAARN CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)OC ZINC000058154590 195367076 /nfs/dbraw/zinc/36/70/76/195367076.db2.gz FIJJLDSAPWOWCP-UHFFFAOYSA-N 0 0 462.502 4.337 50 0 JIAARN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)COc2ccccc21 ZINC000058156774 195367186 /nfs/dbraw/zinc/36/71/86/195367186.db2.gz WUSCNJFYOYROCD-OAQYLSRUSA-N 0 0 458.558 4.471 50 0 JIAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(C)Cc1cccc(Cl)c1Cl ZINC000058169728 195370439 /nfs/dbraw/zinc/37/04/39/195370439.db2.gz WJNPATVPAMQZFI-UHFFFAOYSA-N 0 0 455.411 4.245 50 0 JIAARN Cc1cccc(NC(=O)CN2CCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)c1C ZINC000058169348 195370454 /nfs/dbraw/zinc/37/04/54/195370454.db2.gz OKUGPELFBIVZDI-UHFFFAOYSA-N 0 0 476.602 4.014 50 0 JIAARN COc1ccc(CCC(=O)N2CCCN(C(=O)c3cc(-c4cccc(Cl)c4)on3)CC2)cc1 ZINC000058172591 195371279 /nfs/dbraw/zinc/37/12/79/195371279.db2.gz BHAVIYPFUOFMTQ-UHFFFAOYSA-N 0 0 467.953 4.311 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000058173812 195371546 /nfs/dbraw/zinc/37/15/46/195371546.db2.gz FAOQEDSRIFKEGL-UHFFFAOYSA-N 0 0 476.602 4.014 50 0 JIAARN Cc1oc(C(=O)Nc2cccc(NC(=O)N3CCCCCC3)c2)cc1S(=O)(=O)N1CCCC1 ZINC000058226920 195374485 /nfs/dbraw/zinc/37/44/85/195374485.db2.gz TVBCRPLUTCFJFO-UHFFFAOYSA-N 0 0 474.583 4.033 50 0 JIAARN C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000021548959 195314840 /nfs/dbraw/zinc/31/48/40/195314840.db2.gz WZOOLCKVMLNAGP-FQEVSTJZSA-N 0 0 473.602 4.352 50 0 JIAARN Cn1nc(CN(C(=O)c2ccccc2)c2ccccc2)c2c1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000064566842 195442887 /nfs/dbraw/zinc/44/28/87/195442887.db2.gz MTWBRAZMRZAKRI-UHFFFAOYSA-N 0 0 486.597 4.014 50 0 JIAARN CCOc1ccc([C@@H](CNC(=O)[C@H](C(C)C)N2CCCC2=O)c2c[nH]c3ccccc32)cc1OC ZINC000060298086 195415342 /nfs/dbraw/zinc/41/53/42/195415342.db2.gz HENXIDVHBGVCMK-ZBLYBZFDSA-N 0 0 477.605 4.470 50 0 JIAARN CCOc1ccc([C@@H](CNC(=O)[C@@H](C(C)C)N2CCCC2=O)c2c[nH]c3ccccc32)cc1OC ZINC000060298081 195415437 /nfs/dbraw/zinc/41/54/37/195415437.db2.gz HENXIDVHBGVCMK-JIPXPUAJSA-N 0 0 477.605 4.470 50 0 JIAARN Cc1c(-c2nc(-c3ccncc3)no2)sc2ncn(CC(=O)Nc3ccc(C)cc3Cl)c(=O)c12 ZINC000064439260 195435862 /nfs/dbraw/zinc/43/58/62/195435862.db2.gz BGERWCQBYIMBGZ-UHFFFAOYSA-N 0 0 492.948 4.479 50 0 JIAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1cccc(NC(C)=O)c1)C(=O)OC2 ZINC000095547456 129910234 /nfs/dbraw/zinc/91/02/34/129910234.db2.gz BEDKUZPVUGOPBZ-RIYZIHGNSA-N 0 0 452.507 4.246 50 0 biogenic JIAARN CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3SC[C@]23CC(=O)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000095560745 129913758 /nfs/dbraw/zinc/91/37/58/129913758.db2.gz VGLJLFYNVPNPJN-FDDCHVKYSA-N 0 0 486.018 4.343 50 0 JIAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cccc(OC)c3OC)C2)c(OC)c1 ZINC000095945285 129943598 /nfs/dbraw/zinc/94/35/98/129943598.db2.gz ZXPULRGJBCWGHU-JOCHJYFZSA-N 0 0 482.558 4.261 50 0 JIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000096114961 129965937 /nfs/dbraw/zinc/96/59/37/129965937.db2.gz KCOOFAKNTJALDQ-DHLKQENFSA-N 0 0 473.481 4.350 50 0 biogenic JIAARN COc1ccc2[nH]c(=O)c([C@H]3SC(C)=Nc4c3c(=O)[nH]n4[C@H]3CCOC(C)(C)C3)cc2c1 ZINC000096118333 129975551 /nfs/dbraw/zinc/97/55/51/129975551.db2.gz QFLQRGHXIAUVDU-IFXJQAMLSA-N 0 0 454.552 4.043 50 0 JIAARN COc1cc(-c2noc([C@@H](C)NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC ZINC000096277997 130019329 /nfs/dbraw/zinc/01/93/29/130019329.db2.gz MOFDUKPELGRYPO-LLVKDONJSA-N 0 0 451.401 4.272 50 0 JIAARN Cc1nn(C)c(C)c1CN(C(=S)Nc1ccc(C)cc1)[C@H]1CC(=O)N(c2cccc(C)c2)C1=O ZINC000096288459 130032260 /nfs/dbraw/zinc/03/22/60/130032260.db2.gz ZCRDDEPTRXWGSW-QHCPKHFHSA-N 0 0 475.618 4.185 50 0 JIAARN COCC(=O)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)CC(C)C ZINC000096288540 130032632 /nfs/dbraw/zinc/03/26/32/130032632.db2.gz JIOATLGZPHDTQR-UHFFFAOYSA-N 0 0 490.405 4.401 50 0 JIAARN CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(CN4CCN(S(C)(=O)=O)CC4)n3c2)c1 ZINC000096290325 130039569 /nfs/dbraw/zinc/03/95/69/130039569.db2.gz KFUOKJPCLDMOMS-UHFFFAOYSA-N 0 0 490.629 4.144 50 0 JIAARN Cc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(CN4CCN(S(C)(=O)=O)CC4)n3c2)c1 ZINC000096291272 130042970 /nfs/dbraw/zinc/04/29/70/130042970.db2.gz DHUUKLKACMVZTA-UHFFFAOYSA-N 0 0 474.630 4.362 50 0 JIAARN CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(CCC(=O)NCCN4CCOCC4)n3c2)c1 ZINC000096293934 130048583 /nfs/dbraw/zinc/04/85/83/130048583.db2.gz NZFYKFUNFLRXMP-UHFFFAOYSA-N 0 0 498.627 4.448 50 0 JIAARN O=C(c1cccc(N2CCCS2(=O)=O)c1)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000096305265 130054923 /nfs/dbraw/zinc/05/49/23/130054923.db2.gz LDPOTTNPMJPJEH-UITAMQMPSA-N 0 0 490.581 4.358 50 0 JIAARN Cc1ccc2c(c1)c(=O)n(-c1ccc(C(C)C)cc1)c(=O)n2CC(=O)N[C@@H](C)c1ccccc1 ZINC000096318158 130063194 /nfs/dbraw/zinc/06/31/94/130063194.db2.gz AGCZERMVARDNCS-FQEVSTJZSA-N 0 0 455.558 4.462 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000096318763 130063774 /nfs/dbraw/zinc/06/37/74/130063774.db2.gz BACGAVFAZHTTQG-SANMLTNESA-N 0 0 477.992 4.472 50 0 JIAARN CCc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000096322651 130066505 /nfs/dbraw/zinc/06/65/05/130066505.db2.gz MZBIBQFJNCQAPZ-UHFFFAOYSA-N 0 0 485.631 4.082 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCCCC2)c(Cl)c1 ZINC000096324065 130068117 /nfs/dbraw/zinc/06/81/17/130068117.db2.gz OXSPNCGWRTYUBG-UHFFFAOYSA-N 0 0 494.038 4.228 50 0 JIAARN Cc1cc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)ccc1Br ZINC000096324691 130070754 /nfs/dbraw/zinc/07/07/54/130070754.db2.gz APZGUODJLFDDSP-UHFFFAOYSA-N 0 0 468.355 4.034 50 0 JIAARN COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1cccc(OC)c1OCc1ccccc1Cl ZINC000096335780 130071928 /nfs/dbraw/zinc/07/19/28/130071928.db2.gz MBSCEYMPZIIPRO-UGKGYDQZSA-N 0 0 456.878 4.255 50 0 JIAARN COc1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccc(F)cc2)cc(OC)c1OC ZINC000096335946 130072477 /nfs/dbraw/zinc/07/24/77/130072477.db2.gz SERUDIVSEZFMDA-OFVILXPXSA-N 0 0 491.471 4.490 50 0 JIAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)CC1 ZINC000096341430 130073458 /nfs/dbraw/zinc/07/34/58/130073458.db2.gz HJYSXGHDUFHPNQ-UHFFFAOYSA-N 0 0 469.954 4.348 50 0 JIAARN O=C(c1cc2c(nc3ccccn3c2=O)n1Cc1ccccc1)N1CCN(c2ccccc2Cl)CC1 ZINC000096347458 130074621 /nfs/dbraw/zinc/07/46/21/130074621.db2.gz MJMVEHQJAOLRRX-UHFFFAOYSA-N 0 0 497.986 4.313 50 0 JIAARN COc1cc(/C=C\C(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc(Cl)c1OC ZINC000096447519 130081172 /nfs/dbraw/zinc/08/11/72/130081172.db2.gz VUDGGBVAKHRBAL-KHPPLWFESA-N 0 0 469.925 4.355 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000102862134 130333244 /nfs/dbraw/zinc/33/32/44/130333244.db2.gz ZJEGTPIKQQCQIL-TZRRMPRUSA-N 0 0 456.498 4.223 50 0 JIAARN CC(=O)c1ccc(NC(=O)Cn2c3ccc(C)cc3c3ncn(Cc4nc(C(C)C)no4)c(=O)c32)cc1 ZINC000033281356 518364678 /nfs/dbraw/zinc/36/46/78/518364678.db2.gz MNHKEOGTBIIFHE-UHFFFAOYSA-N 0 0 498.543 4.056 50 0 JIAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)cc1 ZINC000033087848 518378538 /nfs/dbraw/zinc/37/85/38/518378538.db2.gz JCDVBLBJLVRURW-INIZCTEOSA-N 0 0 471.604 4.115 50 0 JIAARN CC(=O)c1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cc(Cl)ccc3O2)c1 ZINC000064986191 518440346 /nfs/dbraw/zinc/44/03/46/518440346.db2.gz UUOQBGLCAXFWJP-QHCPKHFHSA-N 0 0 484.961 4.446 50 0 JIAARN CC(C)=CC(=O)Nc1ccc(N2CCCN(C(=O)c3cccc(Br)c3)CC2)nc1 ZINC000034681134 519401377 /nfs/dbraw/zinc/40/13/77/519401377.db2.gz KXUJZAXWUSGOEU-UHFFFAOYSA-N 0 0 457.372 4.101 50 0 JIAARN CC(=O)N(Cc1ccccc1)c1nc2ccccc2n(CC(=O)Nc2ccc(C)cc2C)c1=O ZINC000064987706 519469545 /nfs/dbraw/zinc/46/95/45/519469545.db2.gz AIPCVECNSQDOJF-UHFFFAOYSA-N 0 0 454.530 4.205 50 0 JIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000016064095 519481282 /nfs/dbraw/zinc/48/12/82/519481282.db2.gz QDWJPIYFJVAIBJ-NRFANRHFSA-N 0 0 473.982 4.027 50 0 JIAARN CC(C)C(=O)Nc1ccc([C@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)N2CCCC2)cc1 ZINC000036215366 519524533 /nfs/dbraw/zinc/52/45/33/519524533.db2.gz FLADOXKMHAVDLB-FCHUYYIVSA-N 0 0 453.514 4.105 50 0 JIAARN CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CCN(C(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC000014732295 519533591 /nfs/dbraw/zinc/53/35/91/519533591.db2.gz XZOICTUCFPDMAE-UHFFFAOYSA-N 0 0 473.621 4.360 50 0 JIAARN CC(=O)N1CCN(C(=O)c2cccc(CSc3nc(C)cc(N(C)Cc4ccccc4)n3)c2)CC1 ZINC000036038731 519580208 /nfs/dbraw/zinc/58/02/08/519580208.db2.gz INTMCZKPFRPBNL-UHFFFAOYSA-N 0 0 489.645 4.018 50 0 JIAARN CC(=O)N1CCN(C(=O)c2coc(CN(Cc3ccc(C)cc3C)[C@H](C)c3ccccc3)n2)CC1 ZINC000036073589 519581250 /nfs/dbraw/zinc/58/12/50/519581250.db2.gz BNGSXOUOXGMTDA-JOCHJYFZSA-N 0 0 474.605 4.359 50 0 JIAARN CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc21 ZINC000020509675 519635973 /nfs/dbraw/zinc/63/59/73/519635973.db2.gz QMMDPFITBXXNBD-HNNXBMFYSA-N 0 0 499.580 4.063 50 0 JIAARN CC(=O)N1c2cc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)c(Br)cc2C[C@@H]1C ZINC000040450682 519639060 /nfs/dbraw/zinc/63/90/60/519639060.db2.gz FPOBCBHCRMLZLX-ORAYPTAESA-N 0 0 463.397 4.103 50 0 JIAARN CC(C)CCNC(=O)C1CCN(c2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)CC1 ZINC000033302383 519656030 /nfs/dbraw/zinc/65/60/30/519656030.db2.gz YLSRBIPNACBSJM-UHFFFAOYSA-N 0 0 456.587 4.024 50 0 JIAARN CC(C)N(Cc1ccccc1)C(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021841637 519657334 /nfs/dbraw/zinc/65/73/34/519657334.db2.gz QRENLSMKAMMVRF-UHFFFAOYSA-N 0 0 463.500 4.297 50 0 JIAARN CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002862624 519663325 /nfs/dbraw/zinc/66/33/25/519663325.db2.gz CVTQYKKWQJBSSM-UHFFFAOYSA-N 0 0 497.404 4.101 50 0 JIAARN CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccccc2SCc2c(C)noc2C)s1 ZINC000016807156 519668822 /nfs/dbraw/zinc/66/88/22/519668822.db2.gz FEIXHOROHWFVKH-UHFFFAOYSA-N 0 0 472.588 4.364 50 0 JIAARN CC(C)CCn1c2ccccc2nc1SCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000025759861 519700519 /nfs/dbraw/zinc/70/05/19/519700519.db2.gz OUKVUFRCVLEKQO-GOSISDBHSA-N 0 0 491.704 4.452 50 0 JIAARN CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCCCc2ccccc2)CC1 ZINC000021650349 519702094 /nfs/dbraw/zinc/70/20/94/519702094.db2.gz BNFRWOMMYDICNU-UHFFFAOYSA-N 0 0 459.594 4.105 50 0 JIAARN CC(=O)Nc1c2cc(F)ccc2n2c1C(=O)N(CCC(C)C)[C@@](C)(C(=O)NC1CCCC1)C2 ZINC000021866328 519702209 /nfs/dbraw/zinc/70/22/09/519702209.db2.gz NORKXLNZMPVZFD-RUZDIDTESA-N 0 0 456.562 4.058 50 0 JIAARN CC(=O)Nc1c2cc(F)ccc2n2c1C(=O)N(CCC(C)C)[C@@](C)(C(=O)NC1CCCCC1)C2 ZINC000021866557 519702425 /nfs/dbraw/zinc/70/24/25/519702425.db2.gz XPVPDHMCWLEUTD-AREMUKBSSA-N 0 0 470.589 4.448 50 0 JIAARN CC(=O)Nc1c2ccccc2n2c1C(=O)N(Cc1ccccc1)[C@@](C)(C(=O)NC1CCCC1)C2 ZINC000021866809 519702756 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ZINC000023108933 523857467 /nfs/dbraw/zinc/85/74/67/523857467.db2.gz PDEXWLNRJBEEMS-UHFFFAOYSA-N 0 0 465.604 4.235 50 0 JIAARN CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 ZINC000044803414 523863481 /nfs/dbraw/zinc/86/34/81/523863481.db2.gz ICCJCANCUMDVMD-UHFFFAOYSA-N 0 0 494.617 4.131 50 0 JIAARN CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 ZINC000044803390 523863597 /nfs/dbraw/zinc/86/35/97/523863597.db2.gz MALMXKDAHJFCJB-UHFFFAOYSA-N 0 0 479.602 4.375 50 0 JIAARN CCc1ccc(-n2c(=O)c3sc(SC)nc3n(CC(=O)Nc3c(C)cccc3CC)c2=O)cc1 ZINC000065100624 523865702 /nfs/dbraw/zinc/86/57/02/523865702.db2.gz CNGVSNFESZGVPY-UHFFFAOYSA-N 0 0 494.642 4.403 50 0 JIAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)NCc2cccc(Br)c2)c3=O)cc1 ZINC000033277779 523865742 /nfs/dbraw/zinc/86/57/42/523865742.db2.gz XYWVEKDSVPFZED-UHFFFAOYSA-N 0 0 481.350 4.083 50 0 JIAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2cc(Cl)ccc2OC)c3=O)cc1 ZINC000033277751 523865752 /nfs/dbraw/zinc/86/57/52/523865752.db2.gz ZTSXHJRUHGHFBH-UHFFFAOYSA-N 0 0 452.898 4.305 50 0 JIAARN CCc1ccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)nc3cccnc32)cc1 ZINC000033139364 523867284 /nfs/dbraw/zinc/86/72/84/523867284.db2.gz PYQYIIRZROOQBF-UHFFFAOYSA-N 0 0 489.645 4.106 50 0 JIAARN COc1ccc(C2=NN(C(=O)CSc3nc4ccc(C)cn4c(=O)n3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000016689484 523877076 /nfs/dbraw/zinc/87/70/76/523877076.db2.gz NYFGLFYCTJMVMD-HSZRJFAPSA-N 0 0 499.596 4.185 50 0 JIAARN CCc1ccc(C(=O)Nc2cccc(-c3cn4c(C(=O)N5CCOCC5)csc4n3)c2)cc1 ZINC000033299479 523896308 /nfs/dbraw/zinc/89/63/08/523896308.db2.gz LTKDMLUDAXKHLS-UHFFFAOYSA-N 0 0 460.559 4.350 50 0 JIAARN COc1ccc(CC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2C(F)(F)F)cc1OC ZINC000040142366 523909125 /nfs/dbraw/zinc/90/91/25/523909125.db2.gz FTQVXYIUATZAPT-SFHVURJKSA-N 0 0 452.429 4.021 50 0 JIAARN COc1ccc(CCC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000064929900 523918862 /nfs/dbraw/zinc/91/88/62/523918862.db2.gz AFFJMROTRSLGDT-LJQANCHMSA-N 0 0 454.527 4.234 50 0 JIAARN COCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(C)cc1)n(CCC(C)C)c2=O ZINC000017040873 523927017 /nfs/dbraw/zinc/92/70/17/523927017.db2.gz LJCOQZJSYAIKPA-UHFFFAOYSA-N 0 0 481.618 4.102 50 0 JIAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1ccccc1F)n(-c1cccc(OC)c1)c2=O ZINC000033077783 523927566 /nfs/dbraw/zinc/92/75/66/523927566.db2.gz FMMBBIFAUOEWPQ-UHFFFAOYSA-N 0 0 493.560 4.202 50 0 JIAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)COC ZINC000036115752 523927715 /nfs/dbraw/zinc/92/77/15/523927715.db2.gz PICCIPJOEPYRBJ-OXJNMPFZSA-N 0 0 465.015 4.180 50 0 JIAARN CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc3ccccc3c2)CC1 ZINC000008687951 523928247 /nfs/dbraw/zinc/92/82/47/523928247.db2.gz OORBZCIIWKPGFV-UHFFFAOYSA-N 0 0 492.645 4.019 50 0 JIAARN COCCNC(=S)N(CCc1c(C)[nH]c2ccc(F)cc21)Cc1ccc(OC)c(OC)c1 ZINC000002722438 523931729 /nfs/dbraw/zinc/93/17/29/523931729.db2.gz OJEHGOLXONIZPP-UHFFFAOYSA-N 0 0 459.587 4.198 50 0 JIAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C(=O)C2CCC2)C(C)C)cc1OC ZINC000033861276 523941887 /nfs/dbraw/zinc/94/18/87/523941887.db2.gz CGRYLZYOPKWWFB-UHFFFAOYSA-N 0 0 456.583 4.214 50 0 JIAARN COc1ccc(CCN2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 ZINC000008599928 523946419 /nfs/dbraw/zinc/94/64/19/523946419.db2.gz IYLDRFVOEBTLJH-QHCPKHFHSA-N 0 0 461.493 4.243 50 0 JIAARN COc1ccc(CCN2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000008599925 523946579 /nfs/dbraw/zinc/94/65/79/523946579.db2.gz XAAXHLLRKFYUPW-XMMPIXPASA-N 0 0 491.519 4.252 50 0 JIAARN COc1ccc(CCN2CN(S(=O)(=O)c3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002236087 523951299 /nfs/dbraw/zinc/95/12/99/523951299.db2.gz SPOBPJKGUPELOL-UHFFFAOYSA-N 0 0 460.559 4.162 50 0 JIAARN CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CCN(C(=O)/C=C/c2cccs2)CC1 ZINC000012451545 523952242 /nfs/dbraw/zinc/95/22/42/523952242.db2.gz REABLYNIAHGYHR-NFPSEPLVSA-N 0 0 462.619 4.117 50 0 JIAARN COc1ccc(CCNC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)cc1OC ZINC000008598327 523956558 /nfs/dbraw/zinc/95/65/58/523956558.db2.gz OUUZAAHIBXXWJC-UHFFFAOYSA-N 0 0 458.562 4.322 50 0 JIAARN COc1ccc(CCNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 ZINC000016216552 523957052 /nfs/dbraw/zinc/95/70/52/523957052.db2.gz HECXUNBBCBJUIY-UHFFFAOYSA-N 0 0 496.673 4.288 50 0 JIAARN COCCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000016775499 523967762 /nfs/dbraw/zinc/96/77/62/523967762.db2.gz DYKUILGVZHHVPC-FQEVSTJZSA-N 0 0 478.423 4.169 50 0 JIAARN COCCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000016609548 523967820 /nfs/dbraw/zinc/96/78/20/523967820.db2.gz IEELQPMGHXJELK-ZTYFUTMOSA-N 0 0 497.661 4.166 50 0 JIAARN COc1ccc(CCNC(=O)[C@H]2C[C@@H](c3ccc(F)c(C)c3)CN(C(=O)NC(C)C)C2)cc1 ZINC000034715815 523967843 /nfs/dbraw/zinc/96/78/43/523967843.db2.gz QPLRODALEHVSOM-YADHBBJMSA-N 0 0 455.574 4.025 50 0 JIAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(=O)c3ccc(C)cc3)CC2)cc1 ZINC000037276893 523971288 /nfs/dbraw/zinc/97/12/88/523971288.db2.gz BSQLYTVXFBPWNK-UHFFFAOYSA-N 0 0 471.601 4.375 50 0 JIAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSc2ncnc3sccc32)cc1 ZINC000008861847 523971703 /nfs/dbraw/zinc/97/17/03/523971703.db2.gz LXLZKBIVVJRLQX-UHFFFAOYSA-N 0 0 478.599 4.403 50 0 JIAARN COc1ccc(CCNC(=O)c2nc(CCc3ccccc3)n(-c3cccc(C)c3)n2)cc1OC ZINC000034911689 523972839 /nfs/dbraw/zinc/97/28/39/523972839.db2.gz XPJKPGVPXLIHNG-UHFFFAOYSA-N 0 0 470.573 4.351 50 0 JIAARN CCc1ccc(NC(=O)CSc2nc3c4cccnc4sc3c(=O)n2C[C@H]2CCCO2)cc1 ZINC000045922293 523974016 /nfs/dbraw/zinc/97/40/16/523974016.db2.gz SYKHMWKCBKIUOD-QGZVFWFLSA-N 0 0 480.615 4.478 50 0 JIAARN CCc1ccc(NC(=O)CSc2nc3cn(CC)nc3c(=O)n2Cc2ccc(C)cc2)cc1 ZINC000009299763 523974202 /nfs/dbraw/zinc/97/42/02/523974202.db2.gz KVTCLWMECDECDZ-UHFFFAOYSA-N 0 0 461.591 4.263 50 0 JIAARN COc1ccc(CCNS(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)cc1OC ZINC000033290032 523976244 /nfs/dbraw/zinc/97/62/44/523976244.db2.gz GYCVVJDWGZHQMV-UHFFFAOYSA-N 0 0 452.623 4.335 50 0 JIAARN CCc1ccc(NC(=O)Cn2nc(SC)c(-c3nc(-c4ccc(OC)c(OC)c4)no3)c2N)cc1 ZINC000012415439 523977689 /nfs/dbraw/zinc/97/76/89/523977689.db2.gz AHRUKZFKBPMYJS-UHFFFAOYSA-N 0 0 494.577 4.123 50 0 JIAARN COc1ccc(CCNc2ncnc3sc(C(=O)N(C)CCc4ccccn4)c(C)c32)cc1OC ZINC000014888936 523979529 /nfs/dbraw/zinc/97/95/29/523979529.db2.gz LNTXGHSULNESEN-UHFFFAOYSA-N 0 0 491.617 4.381 50 0 JIAARN CCc1ccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012437407 523991115 /nfs/dbraw/zinc/99/11/15/523991115.db2.gz IULXVHGENJBZCK-RFBIWTDZSA-N 0 0 461.543 4.350 50 0 JIAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036210101 523995692 /nfs/dbraw/zinc/99/56/92/523995692.db2.gz JMGYIYQVYLFNIU-FDDCHVKYSA-N 0 0 470.013 4.214 50 0 JIAARN CCc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)n(-c4c(C)noc4C)n3)ccc2C)cc1 ZINC000035503457 523995917 /nfs/dbraw/zinc/99/59/17/523995917.db2.gz VGKIGMZVYJTCES-UHFFFAOYSA-N 0 0 464.547 4.176 50 0 JIAARN COc1ccc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)c(OC)c1C ZINC000014882857 524008972 /nfs/dbraw/zinc/00/89/72/524008972.db2.gz MUAOCCOHUGVPID-NRFANRHFSA-N 0 0 483.638 4.102 50 0 JIAARN COc1ccc(CN(C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)c(OC)c1OC ZINC000016677736 524011457 /nfs/dbraw/zinc/01/14/57/524011457.db2.gz OLFHJTUSARVQCS-QHCPKHFHSA-N 0 0 459.550 4.218 50 0 JIAARN CCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1 ZINC000046124081 524011481 /nfs/dbraw/zinc/01/14/81/524011481.db2.gz MQVBXCMAWSMXRB-GOSISDBHSA-N 0 0 470.620 4.230 50 0 JIAARN COc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000024868173 524012123 /nfs/dbraw/zinc/01/21/23/524012123.db2.gz HCLRZAOSUDDJQK-GOSISDBHSA-N 0 0 452.448 4.278 50 0 JIAARN CCc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)[C@H](C)C3)cc1 ZINC000065003408 524014063 /nfs/dbraw/zinc/01/40/63/524014063.db2.gz JBTGKEBUKRJVLQ-GOSISDBHSA-N 0 0 464.587 4.328 50 0 JIAARN CCc1ccc(S(=O)(=O)Nc2ccc(N3CCC([NH+]4CCCCC4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253604 524016607 /nfs/dbraw/zinc/01/66/07/524016607.db2.gz GNLONVKLTFRPQH-UHFFFAOYSA-N 0 0 471.623 4.203 50 0 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/nfs/dbraw/zinc/04/62/56/524046256.db2.gz MUHYRYHRXQSUJC-UHFFFAOYSA-N 0 0 455.562 4.246 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3cc(C(=O)Nc4ccccc4F)ccn3)CC2)cc1 ZINC000033073950 524046457 /nfs/dbraw/zinc/04/64/57/524046457.db2.gz AOIOKENNRBIZFG-UHFFFAOYSA-N 0 0 462.525 4.014 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3nccnc3Oc3ccc(C)cc3)CC2)c(OC)c1 ZINC000033141942 524047003 /nfs/dbraw/zinc/04/70/03/524047003.db2.gz JBKYNOJILNHFSL-UHFFFAOYSA-N 0 0 462.550 4.127 50 0 JIAARN COc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)ccc2C)cc1 ZINC000067217014 524053269 /nfs/dbraw/zinc/05/32/69/524053269.db2.gz ZHVRWOXDXPBLTP-UHFFFAOYSA-N 0 0 465.600 4.481 50 0 JIAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccc(C)cc3)C2)cc1OC ZINC000033289131 524062919 /nfs/dbraw/zinc/06/29/19/524062919.db2.gz ZQMSMGZOUFXNBX-HXUWFJFHSA-N 0 0 462.550 4.127 50 0 JIAARN CCc1cccc(CC)c1N(COC)C(=O)Cn1c2ccccc2nc1[C@@H]1CCCN1C(C)=O ZINC000095464584 524067264 /nfs/dbraw/zinc/06/72/64/524067264.db2.gz YRAROUKZTOUALS-DEOSSOPVSA-N 0 0 462.594 4.482 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COc1ccccc1Cn1c(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc2cccnc21 ZINC000047146394 524519189 /nfs/dbraw/zinc/51/91/89/524519189.db2.gz PVZDPJVXNAZYDG-UHFFFAOYSA-N 0 0 464.591 4.264 50 0 JIAARN COc1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(C)cc4)no3)c(=O)c3ccc(C)nc32)cc1 ZINC000021655295 524528991 /nfs/dbraw/zinc/52/89/91/524528991.db2.gz YTRFDPQVRGFNDQ-UHFFFAOYSA-N 0 0 481.512 4.378 50 0 JIAARN COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(OC)cc2OC)cc1 ZINC000009712811 524539567 /nfs/dbraw/zinc/53/95/67/524539567.db2.gz PKFIMHFLMMNTCJ-UHFFFAOYSA-N 0 0 451.527 4.269 50 0 JIAARN Cc1cccc(N2CCN(C(=O)CCCC(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)c1C ZINC000020417704 524544035 /nfs/dbraw/zinc/54/40/35/524544035.db2.gz YKOMUYYQWBRKBB-UHFFFAOYSA-N 0 0 476.665 4.088 50 0 JIAARN COc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1OC ZINC000033106837 524544420 /nfs/dbraw/zinc/54/44/20/524544420.db2.gz RGPSIKOPSRFRKE-CQSZACIVSA-N 0 0 485.541 4.358 50 0 JIAARN COc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)cc1OC ZINC000033258253 524549557 /nfs/dbraw/zinc/54/95/57/524549557.db2.gz FUYBUEYYJYEGIX-UHFFFAOYSA-N 0 0 463.538 4.375 50 0 JIAARN Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(-c5cccs5)n4)c3)C2)cc1 ZINC000021885180 524549729 /nfs/dbraw/zinc/54/97/29/524549729.db2.gz WILHRXLNWZSMJC-IBGZPJMESA-N 0 0 458.543 4.443 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3)n2)CC1 ZINC000014609609 524551768 /nfs/dbraw/zinc/55/17/68/524551768.db2.gz CEBQWYKRXXSGLW-UHFFFAOYSA-N 0 0 453.546 4.214 50 0 JIAARN COc1ccc(NC(=O)N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)C[C@@H](c3ccccc3)C2)cc1 ZINC000034710268 524556609 /nfs/dbraw/zinc/55/66/09/524556609.db2.gz RWJWNROKEXOXSX-FGZHOGPDSA-N 0 0 487.556 4.378 50 0 JIAARN COc1ccccc1N1CCN(c2cc(SCC(=O)Nc3c(C)cccc3C)ncn2)CC1 ZINC000049006764 524562474 /nfs/dbraw/zinc/56/24/74/524562474.db2.gz RUMZZVDXNMMISW-UHFFFAOYSA-N 0 0 463.607 4.159 50 0 JIAARN COc1ccccc1N1CCN(c2nccnc2SCC(=O)Nc2ccccc2Cl)CC1 ZINC000033170209 524565453 /nfs/dbraw/zinc/56/54/53/524565453.db2.gz ZEDZAZPUNNTFLC-UHFFFAOYSA-N 0 0 469.998 4.196 50 0 JIAARN Cc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000038655146 524569875 /nfs/dbraw/zinc/56/98/75/524569875.db2.gz ICYSWMIQDWAJRG-UHFFFAOYSA-N 0 0 490.050 4.151 50 0 JIAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)ccc3C)CC2)c1 ZINC000033269705 524583128 /nfs/dbraw/zinc/58/31/28/524583128.db2.gz CGSLBXYYPNWJIJ-UHFFFAOYSA-N 0 0 480.590 4.270 50 0 JIAARN Cc1cccc(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)c1C ZINC000033024441 524583408 /nfs/dbraw/zinc/58/34/08/524583408.db2.gz MVRMSQBDNFCFMG-UHFFFAOYSA-N 0 0 481.553 4.037 50 0 JIAARN COc1ccc(NC(=O)[C@H](C)n2nc(-c3ccc(C)c(NC(C)=O)c3)ccc2=O)cc1Cl ZINC000016624686 524609190 /nfs/dbraw/zinc/60/91/90/524609190.db2.gz AYZAUNYEDNACNX-AWEZNQCLSA-N 0 0 454.914 4.039 50 0 JIAARN COc1ccccc1NC(=O)[C@H]1Sc2nnc(COc3ccccc3)n2N[C@H]1c1ccccc1 ZINC000020445952 524623394 /nfs/dbraw/zinc/62/33/94/524623394.db2.gz DGKPREAKNDGIEG-GOTSBHOMSA-N 0 0 473.558 4.264 50 0 JIAARN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)c1 ZINC000033263360 524647479 /nfs/dbraw/zinc/64/74/79/524647479.db2.gz HDHSTHNBYWYBEG-OAHLLOKOSA-N 0 0 483.981 4.243 50 0 JIAARN COc1ccccc1Nc1nn2c(nc3cc(C(=O)NCc4cccs4)ccc3c2=O)s1 ZINC000008614880 524652890 /nfs/dbraw/zinc/65/28/90/524652890.db2.gz XBZLAPCMXMVZEZ-UHFFFAOYSA-N 0 0 463.544 4.048 50 0 JIAARN COc1ccccc1Nc1nn2c(nc3cc(C(=O)NCCc4ccccc4)ccc3c2=O)s1 ZINC000008593038 524653383 /nfs/dbraw/zinc/65/33/83/524653383.db2.gz LMLXLUAKVYPHHR-UHFFFAOYSA-N 0 0 471.542 4.029 50 0 JIAARN COc1ccc(NC(=O)c2nnc(CNC(=O)Nc3ccc(Br)c(C)c3)s2)cc1 ZINC000064991370 524658844 /nfs/dbraw/zinc/65/88/44/524658844.db2.gz ZPQLRJLVFIYNCS-UHFFFAOYSA-N 0 0 476.356 4.192 50 0 JIAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)Cc1ccccc1)C1CC1 ZINC000036117897 524680645 /nfs/dbraw/zinc/68/06/45/524680645.db2.gz BMTYXESEFGISIY-HSZRJFAPSA-N 0 0 490.625 4.495 50 0 JIAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)CC1 ZINC000008601032 524735102 /nfs/dbraw/zinc/73/51/02/524735102.db2.gz GBUYPIIOCSQCKC-UHFFFAOYSA-N 0 0 488.053 4.239 50 0 JIAARN C[C@H](Cc1ccco1)NC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)c1 ZINC000033027717 524744760 /nfs/dbraw/zinc/74/47/60/524744760.db2.gz KCEYPQHIVVMXKI-OAHLLOKOSA-N 0 0 480.521 4.463 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2nc(CCC(=O)NCc2ccccc2)c1=O ZINC000033287074 524747456 /nfs/dbraw/zinc/74/74/56/524747456.db2.gz RWVMRYBKHXMPGL-UHFFFAOYSA-N 0 0 488.975 4.246 50 0 JIAARN COc1ccccc1[C@@H]1Nc2ccccc2-n2c(-c3ccccc3F)c3c(c21)n(C)c(=O)n(C)c3=O ZINC000021659237 524761813 /nfs/dbraw/zinc/76/18/13/524761813.db2.gz SEVDELLDHNLDCQ-QHCPKHFHSA-N 0 0 482.515 4.358 50 0 JIAARN Cc1ccc(Cn2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)NCCc3cccs3)C2)cc1 ZINC000033302698 524765432 /nfs/dbraw/zinc/76/54/32/524765432.db2.gz HHEMKOAHTVYHPJ-HXUWFJFHSA-N 0 0 492.670 4.452 50 0 JIAARN Cc1ccc(Cn2c3ccccc3c(=O)n(CCC(=O)N3CC=C(c4ccccc4)CC3)c2=O)cc1 ZINC000020152813 524768671 /nfs/dbraw/zinc/76/86/71/524768671.db2.gz RZUVAZCQAACWKK-UHFFFAOYSA-N 0 0 479.580 4.226 50 0 JIAARN COc1ccc(OC)c(CCN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000021857174 524817464 /nfs/dbraw/zinc/81/74/64/524817464.db2.gz XWUNFZFYZCIZNN-NDEPHWFRSA-N 0 0 475.589 4.175 50 0 JIAARN COc1ccc(OC)c(CCN2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000021809530 524818778 /nfs/dbraw/zinc/81/87/78/524818778.db2.gz AQKRWEKMSPYVED-AREMUKBSSA-N 0 0 481.618 4.236 50 0 JIAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3nccnc3Oc3cccc(C)c3)CC2)c1 ZINC000033142075 524830874 /nfs/dbraw/zinc/83/08/74/524830874.db2.gz DYMDJXFPWUDRMR-UHFFFAOYSA-N 0 0 462.550 4.127 50 0 JIAARN Cc1cccc([C@@H]2c3cc(OCC(=O)NC[C@@H]4CCCO4)ccc3CCN2C(=O)c2ccco2)c1 ZINC000034713796 524856209 /nfs/dbraw/zinc/85/62/09/524856209.db2.gz WFRKIIPEBFFWBU-WNCULLNHSA-N 0 0 474.557 4.050 50 0 JIAARN COc1ccc(OC)c(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(C)cc3)s2)c1 ZINC000064930582 524858339 /nfs/dbraw/zinc/85/83/39/524858339.db2.gz UXDCDYXIKCHUCW-SFHVURJKSA-N 0 0 467.551 4.485 50 0 JIAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)NCCC(C)C)c1 ZINC000036045595 524895784 /nfs/dbraw/zinc/89/57/84/524895784.db2.gz JHNJMMDPFLDFOU-VXKWHMMOSA-N 0 0 458.986 4.375 50 0 JIAARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](CC(=O)N1CCCC1)CS2 ZINC000033290323 524899800 /nfs/dbraw/zinc/89/98/00/524899800.db2.gz XZQPCICFGJISQK-OAHLLOKOSA-N 0 0 494.038 4.122 50 0 JIAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC[C@@H]1CCC2(CCN(C(=O)CC(C)C)CC2)O1 ZINC000014883892 524908184 /nfs/dbraw/zinc/90/81/84/524908184.db2.gz ZWFFGUPJWAEPBQ-ICSRJNTNSA-N 0 0 451.007 4.118 50 0 JIAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)NCc2ccc(F)cc2)c1 ZINC000036045527 524917471 /nfs/dbraw/zinc/91/74/71/524917471.db2.gz CKCVAYCBBNNJQE-DNQXCXABSA-N 0 0 462.521 4.015 50 0 JIAARN COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C1=O ZINC000021857708 524921584 /nfs/dbraw/zinc/92/15/84/524921584.db2.gz XOUCONAHUFHXFP-NDEPHWFRSA-N 0 0 475.589 4.440 50 0 JIAARN Cc1ccc(N2C(=O)C[C@H](C(=O)N3CCN(C(=O)c4cccs4)CC3)[C@@H]2c2cccs2)cc1 ZINC000016694912 524922871 /nfs/dbraw/zinc/92/28/71/524922871.db2.gz GSFIMRKJOXCIOX-WMZHIEFXSA-N 0 0 479.627 4.197 50 0 JIAARN COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCCCC2)N(Cc2cccnc2)C1=O ZINC000021857823 524923188 /nfs/dbraw/zinc/92/31/88/524923188.db2.gz HOYKSUJLWKESJQ-NDEPHWFRSA-N 0 0 490.604 4.307 50 0 JIAARN Cc1ccc(N2CCN(C(=O)C3CCN(c4nccn5nc(-c6ccc(F)cc6)cc45)CC3)CC2)cc1 ZINC000033266650 524958594 /nfs/dbraw/zinc/95/85/94/524958594.db2.gz BNYBCZZYGUSLHM-UHFFFAOYSA-N 0 0 498.606 4.409 50 0 JIAARN Cc1ccc(N2C[C@@H](C(=O)N[C@@H](C(=O)N3CCCc4ccccc43)c3ccccc3)CC2=O)cc1 ZINC000065096696 524980332 /nfs/dbraw/zinc/98/03/32/524980332.db2.gz CAXXKVIMJUAJFL-WNCULLNHSA-N 0 0 467.569 4.185 50 0 JIAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(NC(=O)C(C)C)c4)s3)CC2=O)cc1 ZINC000020367584 524982563 /nfs/dbraw/zinc/98/25/63/524982563.db2.gz YQGGLNSKTVCFOT-KRWDZBQOSA-N 0 0 463.563 4.214 50 0 JIAARN Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 ZINC000033259291 524994779 /nfs/dbraw/zinc/99/47/79/524994779.db2.gz JJGZRKBBDNLRSZ-FQEVSTJZSA-N 0 0 471.536 4.142 50 0 JIAARN Cc1cc(F)ccc1S(=O)(=O)N(C(=O)c1ccncc1)c1ccc(OC(=O)c2ccncc2)cc1 ZINC000002853415 524998014 /nfs/dbraw/zinc/99/80/14/524998014.db2.gz OBTSIEKAKVFLGE-UHFFFAOYSA-N 0 0 491.500 4.179 50 0 JIAARN COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000033308219 524998854 /nfs/dbraw/zinc/99/88/54/524998854.db2.gz VOKPQVCOAQJWPJ-UHFFFAOYSA-N 0 0 493.541 4.127 50 0 JIAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC(F)F ZINC000014696981 525000086 /nfs/dbraw/zinc/00/00/86/525000086.db2.gz BUQUWDRFJTUHBD-UHFFFAOYSA-N 0 0 469.293 4.106 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)NCCSC2CCCCC2)c2ccccc2)cc1OC ZINC000016227527 525008963 /nfs/dbraw/zinc/00/89/63/525008963.db2.gz XPRCXZNJPUDPFK-UHFFFAOYSA-N 0 0 492.663 4.081 50 0 JIAARN Cc1cc(I)ccc1NC(=O)[C@H](C)[C@H]1Sc2ccccc2NC1=O ZINC000016425235 525012373 /nfs/dbraw/zinc/01/23/73/525012373.db2.gz NAYJBUDCYRVLIF-BDJLRTHQSA-N 0 0 452.317 4.287 50 0 JIAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(N2CCN(C(=O)c3ccccc3)CC2)o1 ZINC000044974531 525014027 /nfs/dbraw/zinc/01/40/27/525014027.db2.gz QLZCXWGDYVVACL-UHFFFAOYSA-N 0 0 487.581 4.445 50 0 JIAARN Cc1ccccc1-n1c(=O)c2sccc2n(Cc2nc(-c3cccc(Br)c3)no2)c1=O ZINC000048986994 525024213 /nfs/dbraw/zinc/02/42/13/525024213.db2.gz SGSJCFDIEALDKQ-UHFFFAOYSA-N 0 0 495.358 4.383 50 0 JIAARN Cc1ccccc1-n1c(SCC(=O)N2C[C@@H](C)O[C@@H](C)C2)nnc1-c1c[nH]c2ccccc21 ZINC000017857441 525024840 /nfs/dbraw/zinc/02/48/40/525024840.db2.gz IMHSYRTWHCAJGK-HDICACEKSA-N 0 0 461.591 4.452 50 0 JIAARN Cc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4nsnc43)CC2)c(Cl)c1 ZINC000008598323 525026618 /nfs/dbraw/zinc/02/66/18/525026618.db2.gz DLFFEYKFTCEUCA-UHFFFAOYSA-N 0 0 479.027 4.377 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000008879244 525027130 /nfs/dbraw/zinc/02/71/30/525027130.db2.gz RUDAHLDPDPVLEF-UHFFFAOYSA-N 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ZINC000033307095 525871133 /nfs/dbraw/zinc/87/11/33/525871133.db2.gz IMNKWFWXEJZMLH-UHFFFAOYSA-N 0 0 478.549 4.362 50 0 JIAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000033276208 525873345 /nfs/dbraw/zinc/87/33/45/525873345.db2.gz XEQBECDXOJJLBP-AWEZNQCLSA-N 0 0 474.970 4.190 50 0 JIAARN COc1cccc(CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2OC)c1 ZINC000035225463 525875465 /nfs/dbraw/zinc/87/54/65/525875465.db2.gz RUPJDUUCPDNBTE-UHFFFAOYSA-N 0 0 460.939 4.339 50 0 JIAARN C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000012425147 525885343 /nfs/dbraw/zinc/88/53/43/525885343.db2.gz FWGOVFDDQBCDRX-UGSOOPFHSA-N 0 0 453.545 4.183 50 0 JIAARN C[C@@H](OC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)C(=O)c1c[nH]c2ccccc12 ZINC000021724134 525892355 /nfs/dbraw/zinc/89/23/55/525892355.db2.gz LFTHMFZPWJQNBQ-LLVKDONJSA-N 0 0 481.357 4.344 50 0 JIAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2ccc(SC(F)F)cc2)C1=O ZINC000002648806 525893335 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COc1cccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2F)c1OC ZINC000067216210 525973732 /nfs/dbraw/zinc/97/37/32/525973732.db2.gz BHLCIRSFTYJASW-UHFFFAOYSA-N 0 0 485.562 4.012 50 0 JIAARN C[C@H](SCC(=O)Nc1ccccc1Br)c1nc(N)nc(Nc2ccccc2)n1 ZINC000036393318 525974433 /nfs/dbraw/zinc/97/44/33/525974433.db2.gz LUZYAKCQPJZNFP-LBPRGKRZSA-N 0 0 459.373 4.393 50 0 JIAARN COc1cccc(CNC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)c(=O)c3ccc(C)nc32)c1 ZINC000033284229 525978724 /nfs/dbraw/zinc/97/87/24/525978724.db2.gz HMSJGQFHBVTTDM-UHFFFAOYSA-N 0 0 495.539 4.055 50 0 JIAARN COc1cccc(CNC(=O)N2CCN(c3nc4ccccc4n3Cc3ccccc3)CC2)c1 ZINC000033106600 525982730 /nfs/dbraw/zinc/98/27/30/525982730.db2.gz HRBIACZXLFEMCB-UHFFFAOYSA-N 0 0 455.562 4.125 50 0 JIAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)Nc1ccc(F)cc1Cl ZINC000008720526 525989179 /nfs/dbraw/zinc/98/91/79/525989179.db2.gz CHOOFRYDTHQTLM-CYBMUJFWSA-N 0 0 457.980 4.168 50 0 JIAARN COc1cccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4n(Cc4ccc(C)cc4)c3=O)C2)c1 ZINC000022599653 526000433 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O=C(NCCc1c[nH]c2ccccc12)C1CCN(c2ncnc3c4cccnc4sc32)CC1 ZINC000033256561 526393565 /nfs/dbraw/zinc/39/35/65/526393565.db2.gz JMINOZHLOWHERF-UHFFFAOYSA-N 0 0 456.575 4.296 50 0 JIAARN Cc1nnc2ccc(-c3ccc(C)c(S(=O)(=O)Nc4ccc(Br)cc4C)c3)nn12 ZINC000033269723 526411161 /nfs/dbraw/zinc/41/11/61/526411161.db2.gz QXYKCTVOPNQMLA-UHFFFAOYSA-N 0 0 472.368 4.280 50 0 JIAARN O=C(NCCc1cccc(Cl)c1)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O ZINC000014970238 526417053 /nfs/dbraw/zinc/41/70/53/526417053.db2.gz NYOMTPCXNFPCPJ-UHFFFAOYSA-N 0 0 455.986 4.215 50 0 JIAARN O=C(NCCc1ccccc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 ZINC000016192690 526422564 /nfs/dbraw/zinc/42/25/64/526422564.db2.gz VLYRLFIBXHDEDC-KGENOOAVSA-N 0 0 493.357 4.308 50 0 JIAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2c(F)cccc2Cl)c1=O)NC1CCCC1 ZINC000016840254 526430017 /nfs/dbraw/zinc/43/00/17/526430017.db2.gz NLYBSJRCDWHGIT-UHFFFAOYSA-N 0 0 471.960 4.233 50 0 JIAARN Cc1noc(/C=C/c2c(C)cc(C)cc2C)c1S(=O)(=O)N1CCC(C(=O)NC(C)(C)C)CC1 ZINC000033058961 526458079 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CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000000684371 553755556 /nfs/dbraw/zinc/75/55/56/553755556.db2.gz IPPOVBZBZUHJJD-JOCHJYFZSA-N 0 0 468.535 4.121 50 0 JIAARN COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1(C(C)=O)c3ccccc3C2c2ccccc21 ZINC000000687240 553756859 /nfs/dbraw/zinc/75/68/59/553756859.db2.gz XOOMMFUXTUNRRN-PGAZUGQPSA-N 0 0 457.913 4.488 50 0 JIAARN COc1ccc(C)cc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccc(Cl)cc2)n1C ZINC000000687478 553757371 /nfs/dbraw/zinc/75/73/71/553757371.db2.gz MDARYLYFUZDCGM-AWEZNQCLSA-N 0 0 473.986 4.007 50 0 JIAARN CCn1c(SCC(=O)Nc2ccccc2OC)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000000687484 553757493 /nfs/dbraw/zinc/75/74/93/553757493.db2.gz RSFONILGRWCPLC-CQSZACIVSA-N 0 0 473.986 4.182 50 0 JIAARN Cc1cc(C)n(-c2nc(Nc3ccc(OC(F)(F)Cl)cc3)nc(-n3nc(C)cc3C)n2)n1 ZINC000000718801 553770678 /nfs/dbraw/zinc/77/06/78/553770678.db2.gz ZBVBLGKBOWGOAY-UHFFFAOYSA-N 0 0 460.876 4.388 50 0 JIAARN O=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000719016 553770692 /nfs/dbraw/zinc/77/06/92/553770692.db2.gz LKFNYHOMRRNDGZ-UHFFFAOYSA-N 0 0 467.856 4.404 50 0 JIAARN Cc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 ZINC000000778650 553778545 /nfs/dbraw/zinc/77/85/45/553778545.db2.gz NGNTZRDUWMHEAV-UHFFFAOYSA-N 0 0 470.522 4.048 50 0 JIAARN COc1ccc(NC(=S)N[C@H](NC(=O)c2ccc(OC)c(OC)c2)C(Cl)(Cl)Cl)cc1 ZINC000000836949 553792304 /nfs/dbraw/zinc/79/23/04/553792304.db2.gz SYNNAPWUJJYABM-KRWDZBQOSA-N 0 0 492.812 4.125 50 0 JIAARN CCOc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000000839947 553793191 /nfs/dbraw/zinc/79/31/91/553793191.db2.gz FZMXJVFCJHPGSO-UHFFFAOYSA-N 0 0 457.577 4.036 50 0 JIAARN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccccc2Br)NC(=O)N1 ZINC000000845718 553796152 /nfs/dbraw/zinc/79/61/52/553796152.db2.gz UIOGWGWOSJXVCZ-MRXNPFEDSA-N 0 0 465.145 4.478 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccc(C)cc2)cc1OC ZINC000000854491 553799663 /nfs/dbraw/zinc/79/96/63/553799663.db2.gz VYNCJCJELKFACA-UHFFFAOYSA-N 0 0 468.575 4.463 50 0 JIAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCSCC4)c(Cl)c3N2)cc1OC ZINC000000867121 553807174 /nfs/dbraw/zinc/80/71/74/553807174.db2.gz MWAZCAQGTUFNDI-DOMZBBRYSA-N 0 0 490.935 4.403 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(OC)cc1 ZINC000000876563 553812906 /nfs/dbraw/zinc/81/29/06/553812906.db2.gz BTWAEOSFGYCUFY-UHFFFAOYSA-N 0 0 489.557 4.245 50 0 JIAARN CC(=O)c1c(C)n(S(=O)(=O)c2ccccc2)c2ccc(NS(=O)(=O)c3ccccc3)cc21 ZINC000000879733 553816180 /nfs/dbraw/zinc/81/61/80/553816180.db2.gz YDKZLTDIRITUQJ-UHFFFAOYSA-N 0 0 468.556 4.190 50 0 JIAARN COc1cc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)cc(OC)c1OC ZINC000000881762 553818727 /nfs/dbraw/zinc/81/87/27/553818727.db2.gz BJKRURKISQPEGL-UHFFFAOYSA-N 0 0 453.358 4.219 50 0 JIAARN COc1ccc(N2C(=S)N=NC2c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000000906895 553839356 /nfs/dbraw/zinc/83/93/56/553839356.db2.gz WXJWNBLPZJJHAJ-UHFFFAOYSA-N 0 0 452.561 4.341 50 0 JIAARN Cc1c(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)c(=O)n(-c2ccccc2)n1C ZINC000000919616 553851015 /nfs/dbraw/zinc/85/10/15/553851015.db2.gz OZUYTOHEESBMNH-QAPCUYQASA-N 0 0 486.454 4.187 50 0 JIAARN O=C(CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)NCc1cccnc1 ZINC000000920041 553852375 /nfs/dbraw/zinc/85/23/75/553852375.db2.gz WGVCLBAKZXYCPP-UHFFFAOYSA-N 0 0 462.453 4.085 50 0 JIAARN Cn1cnnc1S[C@@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000921811 553855082 /nfs/dbraw/zinc/85/50/82/553855082.db2.gz REKTYARKPPJXLR-WOJBJXKFSA-N 0 0 456.980 4.488 50 0 JIAARN CCOC(=O)c1c(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CCC2 ZINC000000939157 553875743 /nfs/dbraw/zinc/87/57/43/553875743.db2.gz IPFMZYKKUDPAGO-KRWDZBQOSA-N 0 0 454.548 4.063 50 0 JIAARN CCOC(=O)c1sc(NC(=O)COc2ccccc2Br)c(C(=O)OCC)c1C ZINC000000942890 553877875 /nfs/dbraw/zinc/87/78/75/553877875.db2.gz UVWIQUPYHHLTIR-UHFFFAOYSA-N 0 0 470.341 4.190 50 0 JIAARN O=C(Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)NCc1ccccc1 ZINC000000952361 553881814 /nfs/dbraw/zinc/88/18/14/553881814.db2.gz BPBRQFCRTADKLR-UHFFFAOYSA-N 0 0 454.349 4.204 50 0 JIAARN COc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000000972285 553887742 /nfs/dbraw/zinc/88/77/42/553887742.db2.gz LQUKUMMYFVOKKK-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN CCOc1ccc(CCNC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1OCC ZINC000000973935 553888072 /nfs/dbraw/zinc/88/80/72/553888072.db2.gz SUGLPYVQCVIDCZ-UHFFFAOYSA-N 0 0 471.557 4.220 50 0 JIAARN O=C(c1ccccc1)N1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2Cl)CC1 ZINC000000977739 553889939 /nfs/dbraw/zinc/88/99/39/553889939.db2.gz FYKKLVNAGGUCNB-UHFFFAOYSA-N 0 0 467.360 4.144 50 0 JIAARN CCOc1ccccc1N(CC(=O)Nc1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000000980254 553890767 /nfs/dbraw/zinc/89/07/67/553890767.db2.gz WKIWMFYZKIYUBG-UHFFFAOYSA-N 0 0 496.585 4.323 50 0 JIAARN O=C(CN1c2cccc3cccc(c23)C1=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000000983107 553891998 /nfs/dbraw/zinc/89/19/98/553891998.db2.gz JTWNMEFTWFWIJP-UHFFFAOYSA-N 0 0 457.511 4.240 50 0 JIAARN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccc(Cl)cc1Cl ZINC000000983560 553892502 /nfs/dbraw/zinc/89/25/02/553892502.db2.gz ZUEVKQCFJLEJQR-UHFFFAOYSA-N 0 0 479.385 4.167 50 0 JIAARN Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2C)cc1 ZINC000000987408 553893821 /nfs/dbraw/zinc/89/38/21/553893821.db2.gz OVHWNDCHUNBVFV-UHFFFAOYSA-N 0 0 497.930 4.457 50 0 JIAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccc(Br)cc1 ZINC000000990300 553894634 /nfs/dbraw/zinc/89/46/34/553894634.db2.gz HSCNEJGUCQJRTE-UHFFFAOYSA-N 0 0 470.319 4.418 50 0 JIAARN CC(C)OC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1 ZINC000000993295 553896397 /nfs/dbraw/zinc/89/63/97/553896397.db2.gz QDVQJGVHDBYLOV-OAHLLOKOSA-N 0 0 478.328 4.338 50 0 JIAARN COc1ccc(N2C(=O)C[C@H](Sc3nnc(-c4ccccc4)n3-c3ccccc3)C2=O)cc1 ZINC000001181821 553929070 /nfs/dbraw/zinc/92/90/70/553929070.db2.gz DUPUUSVBLSKZSK-NRFANRHFSA-N 0 0 456.527 4.367 50 0 JIAARN O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1Cl)c1ccccc1F ZINC000001185364 553930630 /nfs/dbraw/zinc/93/06/30/553930630.db2.gz KNMWLLOMKWBHHP-UHFFFAOYSA-N 0 0 458.898 4.292 50 0 JIAARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC1CCCCCC1)[C@H]2c1ccc2c(c1)OCO2 ZINC000001460092 553975044 /nfs/dbraw/zinc/97/50/44/553975044.db2.gz SWPLXVNHYBUZQW-NFKSOIJDSA-N 0 0 495.572 4.294 50 0 JIAARN CC(C)C[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000001917081 554004179 /nfs/dbraw/zinc/00/41/79/554004179.db2.gz WKKNVMPSDRPUGD-SFHVURJKSA-N 0 0 463.317 4.186 50 0 JIAARN COC(=O)c1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(C4CCCCC4)C3=O)cc2)cc1 ZINC000001953782 554007229 /nfs/dbraw/zinc/00/72/29/554007229.db2.gz SPTHQWCQZWKDIO-UHFFFAOYSA-N 0 0 481.936 4.289 50 0 JIAARN COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)NCCc2ccccc2)cc1OC ZINC000001994401 554008614 /nfs/dbraw/zinc/00/86/14/554008614.db2.gz YQKDHWDBOKGHGD-UHFFFAOYSA-N 0 0 459.498 4.215 50 0 JIAARN Nc1ccc(NC(=O)c2ccc(Oc3ccc(C(=O)Nc4ccc(N)cc4N)cc3)cc2)c(N)c1 ZINC000002023499 554008786 /nfs/dbraw/zinc/00/87/86/554008786.db2.gz NWSJTGMINVKUNE-UHFFFAOYSA-N 0 0 468.517 4.312 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccccc1F ZINC000002056610 554014293 /nfs/dbraw/zinc/01/42/93/554014293.db2.gz PPQYCPWKRUJQPR-JYWRCUDFSA-N 0 0 491.371 4.244 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2ccc(C)cc2)cc1 ZINC000002057239 554014954 /nfs/dbraw/zinc/01/49/54/554014954.db2.gz BVPGXAWJBWGBDL-HXUWFJFHSA-N 0 0 452.576 4.466 50 0 JIAARN COC(=O)c1c(NC(=O)[C@]2(C)CC2(Br)Br)sc2c1CCCC2 ZINC000002091376 554034605 /nfs/dbraw/zinc/03/46/05/554034605.db2.gz RZJGUNMYSJTXQD-AWEZNQCLSA-N 0 0 451.180 4.248 50 0 JIAARN CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)cc(C)c12 ZINC000002093065 554036713 /nfs/dbraw/zinc/03/67/13/554036713.db2.gz GMSZDLULZRQTCP-LJQANCHMSA-N 0 0 457.548 4.161 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c(C)cc(=O)oc3c2)c2ccccc2)cc1 ZINC000002093723 554037320 /nfs/dbraw/zinc/03/73/20/554037320.db2.gz PLBFLYWTDSQXKY-DEOSSOPVSA-N 0 0 463.511 4.035 50 0 biogenic JIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4cccs4)CC(=O)N23)cc1OC ZINC000002097955 554041465 /nfs/dbraw/zinc/04/14/65/554041465.db2.gz ZSVWIIKYVPGYAZ-HFZDXXHNSA-N 0 0 487.581 4.132 50 0 biogenic JIAARN COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCC(C)CC4)CC(=O)N23)c1 ZINC000002102065 554042989 /nfs/dbraw/zinc/04/29/89/554042989.db2.gz UIJRIVDBSAZYHG-UIIXEIKNSA-N 0 0 487.600 4.449 50 0 biogenic JIAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3cccc(F)c3)CC(=O)N12 ZINC000002108387 554048286 /nfs/dbraw/zinc/04/82/86/554048286.db2.gz WXLFYVFWLFDABF-RBJSKKJNSA-N 0 0 483.543 4.243 50 0 biogenic JIAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3ccc(F)cc3)CC(=O)N12 ZINC000002108527 554048482 /nfs/dbraw/zinc/04/84/82/554048482.db2.gz RHVWBFNMFCNXLA-RBJSKKJNSA-N 0 0 483.543 4.243 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)NCCCC(=O)Oc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1 ZINC000002116429 554053324 /nfs/dbraw/zinc/05/33/24/554053324.db2.gz PTYPEGMMARSAGF-UHFFFAOYSA-N 0 0 477.538 4.433 50 0 biogenic JIAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3cccs3)CC(=O)N12 ZINC000002125314 554058031 /nfs/dbraw/zinc/05/80/31/554058031.db2.gz RPCORDVOTPIQIQ-SQJMNOBHSA-N 0 0 457.555 4.123 50 0 biogenic JIAARN CCCN1CC(=O)N2[C@H](c3cccc(Br)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002126131 554058224 /nfs/dbraw/zinc/05/82/24/554058224.db2.gz YLIGSTZPHKJIQZ-SIKLNZKXSA-N 0 0 452.352 4.025 50 0 biogenic JIAARN COC(=O)CCc1sc(NC(=O)CSc2nc(C)cc(C)n2)nc1-c1ccc(OC)cc1 ZINC000002141321 554064174 /nfs/dbraw/zinc/06/41/74/554064174.db2.gz HMMNPULYIWKSJT-UHFFFAOYSA-N 0 0 472.592 4.062 50 0 JIAARN COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCc4ccccc4)C(=O)N32)cc1 ZINC000002148197 554067573 /nfs/dbraw/zinc/06/75/73/554067573.db2.gz RJRCPAIETVVTHE-AOYPEHQESA-N 0 0 479.536 4.476 50 0 biogenic JIAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000002148739 554068110 /nfs/dbraw/zinc/06/81/10/554068110.db2.gz XIJZSWMHHVANJO-IVZQSRNASA-N 0 0 471.575 4.325 50 0 JIAARN COc1ccc(-c2cc(=O)oc3cc(OC(=O)CNC(=O)OCc4ccccc4)ccc32)cc1 ZINC000002149782 554068994 /nfs/dbraw/zinc/06/89/94/554068994.db2.gz ZWFGFIGCNVUVKT-UHFFFAOYSA-N 0 0 459.454 4.300 50 0 biogenic JIAARN COC(=O)c1ccccc1N1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C1=O ZINC000002153162 554071040 /nfs/dbraw/zinc/07/10/40/554071040.db2.gz FDHYCYKOWBFTDE-VWNXMTODSA-N 0 0 451.482 4.437 50 0 JIAARN CCOC(=O)c1c(NC(=S)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)sc2c1CC[C@H](C)C2 ZINC000002157083 554073199 /nfs/dbraw/zinc/07/31/99/554073199.db2.gz RHFVCISMOVJBJZ-HRCADAONSA-N 0 0 471.648 4.027 50 0 biogenic JIAARN CCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000002184761 554081967 /nfs/dbraw/zinc/08/19/67/554081967.db2.gz YBOHLXGPJIDJHG-UHFFFAOYSA-N 0 0 480.336 4.422 50 0 JIAARN Nc1nnc(SCC(=O)Nc2ccc3nc(SCC(=O)c4ccccc4)sc3c2)s1 ZINC000002189389 554084877 /nfs/dbraw/zinc/08/48/77/554084877.db2.gz BMXSTEWCDCDJQR-UHFFFAOYSA-N 0 0 473.630 4.436 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)[C@@](F)(OC)C(F)(F)F ZINC000002191902 554087101 /nfs/dbraw/zinc/08/71/01/554087101.db2.gz AEBQVUMBCJRPHE-GOSISDBHSA-N 0 0 462.421 4.299 50 0 JIAARN O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nc(=O)c2ccccc2s1 ZINC000002198663 554090439 /nfs/dbraw/zinc/09/04/39/554090439.db2.gz LYRIOMLWGWFGGJ-UHFFFAOYSA-N 0 0 451.558 4.159 50 0 JIAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000002268891 554125816 /nfs/dbraw/zinc/12/58/16/554125816.db2.gz DGKFSKZWEWQGEO-BDPRQDHOSA-N 0 0 484.552 4.075 50 0 JIAARN COc1ccc(CCNC(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002287022 554133493 /nfs/dbraw/zinc/13/34/93/554133493.db2.gz AZOBJITZSKUNNP-UHFFFAOYSA-N 0 0 451.530 4.196 50 0 JIAARN O=C(CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1)NCCOc1ccccc1 ZINC000002342264 554156510 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Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)cc1Cl ZINC000006270353 554523620 /nfs/dbraw/zinc/52/36/20/554523620.db2.gz GKNPAZFIZUNGFE-UHFFFAOYSA-N 0 0 493.994 4.073 50 0 JIAARN CCOc1ccc(C2=N/C(=C\c3ccccc3I)C(=O)O2)cc1OCC ZINC000006270620 554523953 /nfs/dbraw/zinc/52/39/53/554523953.db2.gz NUYMNHMCLLGMLB-WJDWOHSUSA-N 0 0 463.271 4.433 50 0 JIAARN CC(C)n1c2ccccc2nc1SCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl ZINC000006341624 554531533 /nfs/dbraw/zinc/53/15/33/554531533.db2.gz DVNOALKFSFEHAI-UHFFFAOYSA-N 0 0 473.407 4.302 50 0 JIAARN COc1ccc(-n2nc3c(c2NC(=O)c2cc(Br)ccc2Cl)C[S@](=O)C3)cc1 ZINC000006559381 554551773 /nfs/dbraw/zinc/55/17/73/554551773.db2.gz LLYGPPQHRHVZFA-MUUNZHRXSA-N 0 0 480.771 4.311 50 0 JIAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(F)c2)cc1 ZINC000006577081 554552192 /nfs/dbraw/zinc/55/21/92/554552192.db2.gz DUYRTFOOVGJCIK-UHFFFAOYSA-N 0 0 451.527 4.075 50 0 JIAARN Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1nccs1 ZINC000006577033 554552262 /nfs/dbraw/zinc/55/22/62/554552262.db2.gz MTOQALZXQYNHJA-UHFFFAOYSA-N 0 0 494.627 4.188 50 0 JIAARN CCc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(OC)cc2)cc1 ZINC000006577916 554553630 /nfs/dbraw/zinc/55/36/30/554553630.db2.gz JOCUYBDHVQAQLZ-UHFFFAOYSA-N 0 0 461.591 4.498 50 0 JIAARN CCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000006578102 554554105 /nfs/dbraw/zinc/55/41/05/554554105.db2.gz KGHBCMLYYGGYLW-UHFFFAOYSA-N 0 0 457.552 4.141 50 0 JIAARN COc1ccc(CCN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000006973458 554562714 /nfs/dbraw/zinc/56/27/14/554562714.db2.gz TXPNKHPJVNIROM-XMMPIXPASA-N 0 0 489.597 4.277 50 0 JIAARN COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1 ZINC000008384032 554567374 /nfs/dbraw/zinc/56/73/74/554567374.db2.gz ORHFIKUFKBKPOG-SFHVURJKSA-N 0 0 463.461 4.406 50 0 JIAARN CCCCCOc1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008384459 554567643 /nfs/dbraw/zinc/56/76/43/554567643.db2.gz JEMKBCCPGVBDCD-NRFANRHFSA-N 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CCOC(=O)c1sc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(O)cc2)nc1C ZINC000008590354 554602524 /nfs/dbraw/zinc/60/25/24/554602524.db2.gz HSEASQMPZVNOTR-GOSISDBHSA-N 0 0 480.473 4.329 50 0 JIAARN O=S(=O)(NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000008601931 554603159 /nfs/dbraw/zinc/60/31/59/554603159.db2.gz YPWIJSAVHYFRKY-GOSISDBHSA-N 0 0 493.525 4.400 50 0 JIAARN Cc1ccc(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCCCC1 ZINC000008746449 554649571 /nfs/dbraw/zinc/64/95/71/554649571.db2.gz BKPJIIPMXJTCEA-KRWDZBQOSA-N 0 0 472.636 4.479 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3N3CCCC3=O)ccc2C)cc1 ZINC000008746723 554649733 /nfs/dbraw/zinc/64/97/33/554649733.db2.gz BXBSWBSRZCSNLM-UHFFFAOYSA-N 0 0 479.558 4.184 50 0 JIAARN C[C@H](c1nnc(SCC(=O)NCc2ccccc2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000008746867 554650046 /nfs/dbraw/zinc/65/00/46/554650046.db2.gz OFRFJUNHHBNZLE-GOSISDBHSA-N 0 0 453.587 4.362 50 0 JIAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000008751247 554653202 /nfs/dbraw/zinc/65/32/02/554653202.db2.gz KRXVBLKXODBJKQ-UHFFFAOYSA-N 0 0 469.541 4.351 50 0 JIAARN COc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000008762620 554662690 /nfs/dbraw/zinc/66/26/90/554662690.db2.gz UWEWNSZIBFLQTH-HZPDHXFCSA-N 0 0 489.619 4.008 50 0 JIAARN COc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000008762616 554662691 /nfs/dbraw/zinc/66/26/91/554662691.db2.gz UWEWNSZIBFLQTH-HOTGVXAUSA-N 0 0 489.619 4.008 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@@H](CCSC)C(=O)N1CCCC1)CC2 ZINC000008764213 554664615 /nfs/dbraw/zinc/66/46/15/554664615.db2.gz CFBSHOWNRDIYET-DHLKQENFSA-N 0 0 497.661 4.105 50 0 biogenic JIAARN O=C1/C(=C\c2ccccc2)c2ccc(Cl)cc2N1CN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000008764391 554664902 /nfs/dbraw/zinc/66/49/02/554664902.db2.gz KNRNSNIBOPHABH-SJKPJESISA-N 0 0 457.961 4.466 50 0 biogenic JIAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000008774519 554673401 /nfs/dbraw/zinc/67/34/01/554673401.db2.gz BDQMSTOKANDUKD-LJQANCHMSA-N 0 0 490.025 4.006 50 0 JIAARN COc1ccc(C(=O)COC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1Cl ZINC000008778905 554675730 /nfs/dbraw/zinc/67/57/30/554675730.db2.gz UMFPXFRVBPCBEV-UHFFFAOYSA-N 0 0 459.907 4.189 50 0 JIAARN CCCn1nc(C)c2c1nc(-c1cnn(C)c1C)cc2C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000008782498 554679645 /nfs/dbraw/zinc/67/96/45/554679645.db2.gz JAUXWLQVMAOKSD-UHFFFAOYSA-N 0 0 468.565 4.356 50 0 JIAARN CCCN1CC(=O)N2C[C@H](c3ccc(OC(C)C)c(OC)c3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789324 554681995 /nfs/dbraw/zinc/68/19/95/554681995.db2.gz ANUGQSADVCDYNU-NGOKVRLYSA-N 0 0 475.589 4.405 50 0 biogenic JIAARN CC(=O)Nc1ccc(NC(=O)COc2cc3c(c4oc(=O)c5c(c24)CCC5)CCC(C)(C)O3)cc1 ZINC000008791689 554684908 /nfs/dbraw/zinc/68/49/08/554684908.db2.gz URQUDKOOOIIWJA-UHFFFAOYSA-N 0 0 476.529 4.361 50 0 biogenic JIAARN Cc1c(S(=O)(=O)CCNC(=O)NCCc2ccccc2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000008808586 554688001 /nfs/dbraw/zinc/68/80/01/554688001.db2.gz LSFPWVRUFQAMOY-UHFFFAOYSA-N 0 0 493.604 4.453 50 0 JIAARN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCCOc1cccc(C)c1 ZINC000008817239 554699843 /nfs/dbraw/zinc/69/98/43/554699843.db2.gz VYVIZFFBZWWKBG-LFVJCYFKSA-N 0 0 458.539 4.232 50 0 JIAARN COC(=O)C1=C(C)N=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccccc1 ZINC000008818852 554702577 /nfs/dbraw/zinc/70/25/77/554702577.db2.gz FXYLJOWZWRNUJY-PKOBYXMFSA-N 0 0 471.376 4.494 50 0 JIAARN CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000008824969 554712610 /nfs/dbraw/zinc/71/26/10/554712610.db2.gz MCURPGGLXBFJBO-AUUYWEPGSA-N 0 0 475.463 4.313 50 0 JIAARN O=C(N[C@@H]1CCSc2ccccc21)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000008825030 554712741 /nfs/dbraw/zinc/71/27/41/554712741.db2.gz DQLNBVQDBLPJGH-HSZRJFAPSA-N 0 0 470.660 4.319 50 0 JIAARN CC[C@H](C)N(C(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000008825125 554713092 /nfs/dbraw/zinc/71/30/92/554713092.db2.gz 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CCn1c(C)cc(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)c1C ZINC000008861237 554758122 /nfs/dbraw/zinc/75/81/22/554758122.db2.gz HBEMRWJYVURGOZ-UHFFFAOYSA-N 0 0 488.635 4.324 50 0 JIAARN Cn1c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)nnc1-c1cccnc1 ZINC000008862501 554760640 /nfs/dbraw/zinc/76/06/40/554760640.db2.gz XCQWXRNFJUPDNG-INIZCTEOSA-N 0 0 466.617 4.470 50 0 JIAARN Cc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)cc(=O)c2c1 ZINC000008868966 554762684 /nfs/dbraw/zinc/76/26/84/554762684.db2.gz IULVFYUGMKLXFY-KRWDZBQOSA-N 0 0 454.548 4.225 50 0 JIAARN CCOc1c(Cl)cc(C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000008869235 554763073 /nfs/dbraw/zinc/76/30/73/554763073.db2.gz KGYZUECISLHTKO-MRXNPFEDSA-N 0 0 460.354 4.361 50 0 JIAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N(Cc4ccccc4)C(C)(C)C)C3=O)ccc2c1 ZINC000008890803 554780141 /nfs/dbraw/zinc/78/01/41/554780141.db2.gz NTYFURBGWSSJMP-MUUNZHRXSA-N 0 0 473.573 4.443 50 0 JIAARN Cc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)n1-c1ccccc1 ZINC000008896051 554785652 /nfs/dbraw/zinc/78/56/52/554785652.db2.gz SCSCLCYHVBNNBQ-UHFFFAOYSA-N 0 0 499.662 4.260 50 0 JIAARN CSc1ccc(CCNC(=O)C2CCN(c3nnc(-n4c(C)ccc4C)s3)CC2)cc1 ZINC000008912662 554803259 /nfs/dbraw/zinc/80/32/59/554803259.db2.gz JVPMCKVHPPBXGC-UHFFFAOYSA-N 0 0 455.653 4.243 50 0 JIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3nc(N4CCOCC4)sc3c2)CC1 ZINC000008912765 554803447 /nfs/dbraw/zinc/80/34/47/554803447.db2.gz YMPTUBYLBLGVGD-UHFFFAOYSA-N 0 0 456.999 4.057 50 0 JIAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2ncnc3c2sc2cccc(F)c23)C1 ZINC000008912841 554803520 /nfs/dbraw/zinc/80/35/20/554803520.db2.gz HRYHSNUQHQZRAG-HNNXBMFYSA-N 0 0 464.522 4.245 50 0 JIAARN COCCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(F)cc2)cc1 ZINC000008913605 554806330 /nfs/dbraw/zinc/80/63/30/554806330.db2.gz KSBVNPMMFCNOSP-UHFFFAOYSA-N 0 0 450.539 4.287 50 0 JIAARN Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Nc3ccc(OC(F)F)cc3)n2)cc1 ZINC000008916711 554811239 /nfs/dbraw/zinc/81/12/39/554811239.db2.gz SJKHUHJFGMZWKX-UHFFFAOYSA-N 0 0 467.881 4.266 50 0 JIAARN CCCN1c2ccccc2[C@@]2(C1=O)c1c(oc3ccc(C)cc3c1=O)C(=O)N2CCCOC(C)C ZINC000008917011 554811666 /nfs/dbraw/zinc/81/16/66/554811666.db2.gz DIYUUTNOFPJUEH-NDEPHWFRSA-N 0 0 474.557 4.373 50 0 JIAARN COc1ccc(CNC(=O)c2ccccc2N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000008918167 554814395 /nfs/dbraw/zinc/81/43/95/554814395.db2.gz DXDOWYDZRXAMJE-LJAQVGFWSA-N 0 0 494.551 4.347 50 0 biogenic JIAARN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000008927343 554824789 /nfs/dbraw/zinc/82/47/89/554824789.db2.gz PIXULKPWMWOFKF-IBGZPJMESA-N 0 0 477.900 4.338 50 0 JIAARN COc1ccc([C@@H]2CC(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)cc1OC ZINC000008931941 554826291 /nfs/dbraw/zinc/82/62/91/554826291.db2.gz FJIHEAJHYZCECO-QHCPKHFHSA-N 0 0 455.507 4.295 50 0 JIAARN Cc1ccc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCc4ccc(F)cc4)c(=O)c32)c1 ZINC000008933197 554826812 /nfs/dbraw/zinc/82/68/12/554826812.db2.gz USFBRVSXMWDETO-UHFFFAOYSA-N 0 0 468.532 4.472 50 0 JIAARN COc1ccc(CNC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4C)c3c2=O)cc1 ZINC000008933125 554826843 /nfs/dbraw/zinc/82/68/43/554826843.db2.gz PCGKUMFBFOTOMR-UHFFFAOYSA-N 0 0 466.541 4.033 50 0 JIAARN Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCc4cccnc4)c(=O)c32)c(C)c1 ZINC000008933263 554827111 /nfs/dbraw/zinc/82/71/11/554827111.db2.gz KWLCCBJFVVZJNW-UHFFFAOYSA-N 0 0 465.557 4.036 50 0 JIAARN C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008933731 554828212 /nfs/dbraw/zinc/82/82/12/554828212.db2.gz DZLBKCVRIHOOOU-HYBUGGRVSA-N 0 0 459.594 4.210 50 0 JIAARN C[C@H](NC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000008936444 554830461 /nfs/dbraw/zinc/83/04/61/554830461.db2.gz OVVKLDRIYWKPFF-NRFANRHFSA-N 0 0 484.600 4.467 50 0 JIAARN CCN1c2ccccc2Oc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2C1=O ZINC000008961096 554837623 /nfs/dbraw/zinc/83/76/23/554837623.db2.gz SKNCWROYNYKIHI-UHFFFAOYSA-N 0 0 451.504 4.218 50 0 JIAARN Cc1c2cnn(CC(=O)NCCCSC3CCCCC3)c(=O)c2c(C)n1Cc1ccccc1 ZINC000008965397 554839960 /nfs/dbraw/zinc/83/99/60/554839960.db2.gz ZGONHXAGQIIMMC-UHFFFAOYSA-N 0 0 466.651 4.435 50 0 JIAARN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)ccc21 ZINC000008965648 554840547 /nfs/dbraw/zinc/84/05/47/554840547.db2.gz APEYOKNRXYCUTD-UHFFFAOYSA-N 0 0 452.561 4.027 50 0 JIAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000008965721 554840884 /nfs/dbraw/zinc/84/08/84/554840884.db2.gz UHQAWCYXBSOLMT-LJQANCHMSA-N 0 0 481.643 4.253 50 0 JIAARN Cc1nc(-c2cccc(NC(=O)CSc3nnc([C@@H]4COc5ccccc5O4)n3C)c2)cs1 ZINC000008965785 554841022 /nfs/dbraw/zinc/84/10/22/554841022.db2.gz SYBFRYGTASBUSB-FQEVSTJZSA-N 0 0 479.587 4.490 50 0 JIAARN CC(C)N(Cc1ccccc1)C(=O)Cn1c2cc(Cl)ccc2n(Cc2ccccc2)c(=O)c1=O ZINC000008966163 554842112 /nfs/dbraw/zinc/84/21/12/554842112.db2.gz QSWVZGUOWCBFFT-UHFFFAOYSA-N 0 0 475.976 4.302 50 0 JIAARN Cc1cc(C)n2nc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3cccs3)nc2n1 ZINC000008966256 554842363 /nfs/dbraw/zinc/84/23/63/554842363.db2.gz 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O=c1cc(CSc2nnc(-c3ccccc3F)n2C2CC2)nc2ccc(Br)cn12 ZINC000009119917 554911780 /nfs/dbraw/zinc/91/17/80/554911780.db2.gz ZBKPWLSQVUFTGI-UHFFFAOYSA-N 0 0 472.343 4.482 50 0 JIAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)C1=O ZINC000009119914 554911797 /nfs/dbraw/zinc/91/17/97/554911797.db2.gz GCZCXWOQRPWURR-AFJIDDCJSA-N 0 0 498.583 4.364 50 0 JIAARN C[C@@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)c1ccc(Cl)cc1Cl ZINC000009120069 554912308 /nfs/dbraw/zinc/91/23/08/554912308.db2.gz JXAIAGOTHWLYCQ-SNVBAGLBSA-N 0 0 456.376 4.096 50 0 JIAARN Cc1cc(NC(=O)CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(Cl)cc2)no1 ZINC000009125881 554918904 /nfs/dbraw/zinc/91/89/04/554918904.db2.gz IBVKHDHWLJBFIC-HNNXBMFYSA-N 0 0 460.991 4.495 50 0 JIAARN C[C@H]1CSC(N(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccc(Cl)cc2)=N1 ZINC000009126472 554920266 /nfs/dbraw/zinc/92/02/66/554920266.db2.gz UIMYNBGYZKDELD-INIZCTEOSA-N 0 0 478.039 4.265 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(Cl)cc1C 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470.526 4.111 50 0 JIAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nc(-c4ccccn4)cs3)c2)cc1 ZINC000009157413 554946970 /nfs/dbraw/zinc/94/69/70/554946970.db2.gz FJIBXYYGLNJZDG-UHFFFAOYSA-N 0 0 480.571 4.291 50 0 JIAARN CCc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2cccc3ccccc32)c4=O)cc1 ZINC000009160512 554949801 /nfs/dbraw/zinc/94/98/01/554949801.db2.gz VTORHSIRCVTCHF-UHFFFAOYSA-N 0 0 465.557 4.202 50 0 JIAARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(-c5cccnc5)nc4c32)cc1OC ZINC000009185144 554957467 /nfs/dbraw/zinc/95/74/67/554957467.db2.gz ZSLUIFMYXYNWGV-OAQYLSRUSA-N 0 0 453.458 4.195 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cn3c4ccccc4sc3=O)cc2)c(C)c1 ZINC000009191826 554964309 /nfs/dbraw/zinc/96/43/09/554964309.db2.gz DWXHRCAVSMBFJL-UHFFFAOYSA-N 0 0 467.572 4.119 50 0 JIAARN Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)oc2c1 ZINC000009194654 554968294 /nfs/dbraw/zinc/96/82/94/554968294.db2.gz RJQFEOGVOLWCKZ-KRWDZBQOSA-N 0 0 454.548 4.225 50 0 JIAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000009199618 554970994 /nfs/dbraw/zinc/97/09/94/554970994.db2.gz OFPZFQATBVWADF-UHFFFAOYSA-N 0 0 468.513 4.245 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)c2)cc1 ZINC000009200067 554971519 /nfs/dbraw/zinc/97/15/19/554971519.db2.gz VJRGGUPWLBJNRD-LJQANCHMSA-N 0 0 460.559 4.473 50 0 JIAARN COc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccccc2)cc1 ZINC000009204097 554974342 /nfs/dbraw/zinc/97/43/42/554974342.db2.gz ZWCANYXYFSKCAD-AREMUKBSSA-N 0 0 478.614 4.310 50 0 JIAARN O=C(c1nc(S(=O)(=O)Cc2ccc(F)cc2)ncc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000009206459 554975703 /nfs/dbraw/zinc/97/57/03/554975703.db2.gz RNYCXAMHPPQAJT-UHFFFAOYSA-N 0 0 487.984 4.338 50 0 JIAARN CC(=O)c1ccc(N2CCN(Cc3nc(=O)c4cc(-c5ccccc5)sc4[nH]3)CC2)c(F)c1 ZINC000009207186 554976441 /nfs/dbraw/zinc/97/64/41/554976441.db2.gz HPPAEOIVKZTONE-UHFFFAOYSA-N 0 0 462.550 4.316 50 0 JIAARN Cc1cccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c4=O)c1 ZINC000009210846 554980479 /nfs/dbraw/zinc/98/04/79/554980479.db2.gz IKBFSFHOWHDSGA-HNNXBMFYSA-N 0 0 484.387 4.348 50 0 JIAARN CCN(Cc1cccs1)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009216883 554985344 /nfs/dbraw/zinc/98/53/44/554985344.db2.gz HZUUPELUCZEDLI-UHFFFAOYSA-N 0 0 472.588 4.373 50 0 JIAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCCC2)C1=O ZINC000009218007 554986966 /nfs/dbraw/zinc/98/69/66/554986966.db2.gz CITWXJSVKFARSI-HHHXNRCGSA-N 0 0 456.546 4.236 50 0 JIAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCCO4)nnc2N2CCCC2)cc1 ZINC000009221131 554990203 /nfs/dbraw/zinc/99/02/03/554990203.db2.gz HCDBLYWBDVJWIQ-UHFFFAOYSA-N 0 0 465.579 4.068 50 0 JIAARN O=C(Nc1nc(-c2cccnc2)cs1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000009222166 554990657 /nfs/dbraw/zinc/99/06/57/554990657.db2.gz CCSBYKBBTOBDJU-UHFFFAOYSA-N 0 0 482.631 4.123 50 0 JIAARN CSc1ccc2cc(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)c(Cl)nc2c1 ZINC000009222422 554991399 /nfs/dbraw/zinc/99/13/99/554991399.db2.gz BJJZMBWXCNYRGI-JOCHJYFZSA-N 0 0 455.923 4.306 50 0 JIAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)sc2c1 ZINC000009222471 554991617 /nfs/dbraw/zinc/99/16/17/554991617.db2.gz GSGAETRTBIOUMA-UHFFFAOYSA-N 0 0 457.558 4.266 50 0 JIAARN COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CC(=O)N(c4cc(C)ccc4OC)C3)n2)c1 ZINC000009222702 554992084 /nfs/dbraw/zinc/99/20/84/554992084.db2.gz WNGXIKFHEDIQMF-OAHLLOKOSA-N 0 0 467.547 4.136 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000009223650 554994063 /nfs/dbraw/zinc/99/40/63/554994063.db2.gz WCQGEHLVMHYNRM-UHFFFAOYSA-N 0 0 493.006 4.246 50 0 JIAARN Cc1nc2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)ccc2n1-c1ccccc1 ZINC000009224119 554995306 /nfs/dbraw/zinc/99/53/06/554995306.db2.gz ADNNSYKRPRIRHM-INIZCTEOSA-N 0 0 457.486 4.289 50 0 JIAARN Cc1cccc(-c2nnc(SCC(=O)c3ccc(NS(C)(=O)=O)cc3)n2Cc2ccco2)c1 ZINC000009224134 554995337 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COc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009284369 555057146 /nfs/dbraw/zinc/05/71/46/555057146.db2.gz ZNAKAEBQMPVYNY-UHFFFAOYSA-N 0 0 456.951 4.030 50 0 JIAARN CCOC(=O)NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CCCC3 ZINC000009284560 555057968 /nfs/dbraw/zinc/05/79/68/555057968.db2.gz XXHKLFONIYTJKS-UHFFFAOYSA-N 0 0 471.604 4.308 50 0 JIAARN Cc1ccccc1Nc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)s1 ZINC000009285788 555060066 /nfs/dbraw/zinc/06/00/66/555060066.db2.gz TXPSAMLTYCNYFS-UHFFFAOYSA-N 0 0 459.622 4.360 50 0 JIAARN CCOc1ccc(CCNC(=O)CCC(=O)N2C[C@H](C)Oc3ccc(C)cc32)cc1OCC ZINC000009287005 555060449 /nfs/dbraw/zinc/06/04/49/555060449.db2.gz AHBDDWXDOUTKGH-IBGZPJMESA-N 0 0 454.567 4.045 50 0 JIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000009287953 555061378 /nfs/dbraw/zinc/06/13/78/555061378.db2.gz IWYNOEMVISANGS-QHCPKHFHSA-N 0 0 477.492 4.209 50 0 JIAARN CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000009288711 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CC(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000009467492 555244782 /nfs/dbraw/zinc/24/47/82/555244782.db2.gz NUOCNJAFXXEDPR-HNNXBMFYSA-N 0 0 455.511 4.268 50 0 JIAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000009467562 555244964 /nfs/dbraw/zinc/24/49/64/555244964.db2.gz XVNRTWHCHCRJQD-UHFFFAOYSA-N 0 0 494.598 4.186 50 0 JIAARN O=C(CCc1ccccc1F)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009467572 555245012 /nfs/dbraw/zinc/24/50/12/555245012.db2.gz HKOJRSMBSHPJIK-UHFFFAOYSA-N 0 0 470.522 4.359 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2C(F)F)cc1 ZINC000009468672 555248978 /nfs/dbraw/zinc/24/89/78/555248978.db2.gz SCCUDGUYAAVLAQ-UHFFFAOYSA-N 0 0 468.551 4.193 50 0 JIAARN O=C(c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)N1CC=C(c2ccccc2)CC1 ZINC000009468817 555249393 /nfs/dbraw/zinc/24/93/93/555249393.db2.gz PTTHDVXXXSUHPT-UHFFFAOYSA-N 0 0 462.527 4.146 50 0 JIAARN C[C@H](c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1-c1ccc(F)cc1)N1CCCCC1 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COc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCCC[C@@H]4C)c(=O)c3c2C)cc1Cl ZINC000009498801 555283429 /nfs/dbraw/zinc/28/34/29/555283429.db2.gz KRBBKKQKOAUMTK-ZDUSSCGKSA-N 0 0 488.997 4.082 50 0 JIAARN COc1ccc(-c2nc(SCC(=O)Nc3nc(-c4cc(OC)ccc4OC)cs3)n[nH]2)cc1 ZINC000009500430 555285065 /nfs/dbraw/zinc/28/50/65/555285065.db2.gz XKMAQKQDQNCMHD-UHFFFAOYSA-N 0 0 483.575 4.352 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3CCC(C(=O)N4CCCCCC4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000009501910 555286397 /nfs/dbraw/zinc/28/63/97/555286397.db2.gz PGAQINJGUSUSMZ-RUZDIDTESA-N 0 0 476.621 4.380 50 0 JIAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009503023 555288004 /nfs/dbraw/zinc/28/80/04/555288004.db2.gz WVALKSNKSFCEGP-VAWYXSNFSA-N 0 0 471.623 4.265 50 0 JIAARN O=S(=O)(c1cccc(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)c1)N1CCOCC1 ZINC000009507616 555292417 /nfs/dbraw/zinc/29/24/17/555292417.db2.gz BQCFZVVZHOKBEL-UHFFFAOYSA-N 0 0 486.402 4.357 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2ccc(Br)cc2)c1 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Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)no1 ZINC000009525802 555319275 /nfs/dbraw/zinc/31/92/75/555319275.db2.gz ATUGPKUTJSWKCG-UHFFFAOYSA-N 0 0 451.479 4.293 50 0 JIAARN Cc1cc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2Cc2ccccc2)n[nH]1 ZINC000009529513 555323748 /nfs/dbraw/zinc/32/37/48/555323748.db2.gz KREGTFSYJCSSFB-UHFFFAOYSA-N 0 0 461.572 4.422 50 0 JIAARN O=C(CSc1ccc2c(c1)OCCCO2)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009532537 555327434 /nfs/dbraw/zinc/32/74/34/555327434.db2.gz WRYIXHNRRWDRAK-UHFFFAOYSA-N 0 0 483.011 4.017 50 0 JIAARN CCC(=O)N(c1nnc(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)s1)C1CC1 ZINC000009533166 555328151 /nfs/dbraw/zinc/32/81/51/555328151.db2.gz XLOINWOVGWBYMF-MRXNPFEDSA-N 0 0 479.027 4.411 50 0 JIAARN CN(C)c1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C[C@H]2CCCO2)cc1 ZINC000009540504 555333391 /nfs/dbraw/zinc/33/33/91/555333391.db2.gz VNXOJGYCAXUPCZ-LJQANCHMSA-N 0 0 476.606 4.402 50 0 JIAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(OC)cc4)[nH]n3)n2N)cc1 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CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 ZINC000009824107 555525425 /nfs/dbraw/zinc/52/54/25/555525425.db2.gz HWEMABMXFIHQKS-UHFFFAOYSA-N 0 0 466.559 4.293 50 0 JIAARN CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000019882099 555526944 /nfs/dbraw/zinc/52/69/44/555526944.db2.gz RBGGLFWMTALWAO-QHCPKHFHSA-N 0 0 482.964 4.113 50 0 JIAARN Cc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000019882075 555527015 /nfs/dbraw/zinc/52/70/15/555527015.db2.gz XQFOYAQHQMPZOE-QFIPXVFZSA-N 0 0 497.389 4.131 50 0 JIAARN CCOc1cc(C(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)cc(OCC)c1OCC ZINC000009829225 555527286 /nfs/dbraw/zinc/52/72/86/555527286.db2.gz HSFBUZQBCYBOKB-UHFFFAOYSA-N 0 0 486.546 4.446 50 0 JIAARN Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000019882111 555527361 /nfs/dbraw/zinc/52/73/61/555527361.db2.gz JAPYPDXVFUFKSX-QFIPXVFZSA-N 0 0 452.938 4.022 50 0 JIAARN COc1cccc(Nc2nc3c(S(=O)(=O)c4cc(C)ccc4C)nnn3c3ccccc23)c1 ZINC000009829920 555528792 /nfs/dbraw/zinc/52/87/92/555528792.db2.gz OASODFTZPHQQDS-UHFFFAOYSA-N 0 0 459.531 4.479 50 0 JIAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2C)c(=O)n3Cc2cccc(C)c2)C1 ZINC000009830569 555530548 /nfs/dbraw/zinc/53/05/48/555530548.db2.gz RXGOOBNJZBOHGI-UHFFFAOYSA-N 0 0 494.016 4.437 50 0 JIAARN COc1ccc(-c2c(C)oc3cc(OCCN4C[C@@H](C)O[C@H](C)C4)ccc3c2=O)cc1OC ZINC000013608420 555532182 /nfs/dbraw/zinc/53/21/82/555532182.db2.gz XGQKZHBKASZTJW-IAGOWNOFSA-N 0 0 453.535 4.274 50 0 biogenic JIAARN Cc1ccc(N2C(=O)N(CC(=O)N3CCC(c4nc5ccccc5s4)CC3)C(=O)[C@@H]2C)cc1 ZINC000009832021 555534972 /nfs/dbraw/zinc/53/49/72/555534972.db2.gz VPBXWGJUKMNZNJ-KRWDZBQOSA-N 0 0 462.575 4.168 50 0 JIAARN CS(=O)(=O)N(Cc1ccc(C(=O)NCCSCc2ccccc2)cc1)c1ccccc1 ZINC000013615184 555536020 /nfs/dbraw/zinc/53/60/20/555536020.db2.gz AMCXTGWMMILXJM-UHFFFAOYSA-N 0 0 454.617 4.316 50 0 JIAARN CN(Cc1ccccc1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000009833545 555536314 /nfs/dbraw/zinc/53/63/14/555536314.db2.gz 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C[C@@H](Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C(=O)N(C)Cc1ccccc1 ZINC000009847192 555547745 /nfs/dbraw/zinc/54/77/45/555547745.db2.gz LDQDNHZIQWLUGE-LJQANCHMSA-N 0 0 495.601 4.108 50 0 JIAARN O=C(c1cc2nccc(-c3cc(Cl)cc(Cl)c3)n2n1)N1CCN(Cc2ccco2)CC1 ZINC000013644764 555550212 /nfs/dbraw/zinc/55/02/12/555550212.db2.gz KOOGPMGQJYRSKW-UHFFFAOYSA-N 0 0 456.333 4.254 50 0 JIAARN CCN(Cc1ccccc1)C(=O)C1CCN(Cc2cc(Br)c(O)c(OC)c2)CC1 ZINC000009849605 555551784 /nfs/dbraw/zinc/55/17/84/555551784.db2.gz CYKZSCGTFYMVAI-UHFFFAOYSA-N 0 0 461.400 4.424 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1)C(=O)NC1CC1 ZINC000013653491 555554114 /nfs/dbraw/zinc/55/41/14/555554114.db2.gz GAXDHBKGAVEIAG-VFRFXQOFSA-N 0 0 483.584 4.193 50 0 JIAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000009853675 555555179 /nfs/dbraw/zinc/55/51/79/555555179.db2.gz VAAIWOXLRWUNER-UHFFFAOYSA-N 0 0 454.617 4.240 50 0 JIAARN CCc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1cc(OC)cc(OC)c1 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/nfs/dbraw/zinc/56/85/17/555568517.db2.gz QRJOXCREBHCNSE-UHFFFAOYSA-N 0 0 479.587 4.409 50 0 JIAARN COCc1nn2c(ncc3c2C[C@H](c2ccc(OC)cc2OC)CC3=O)c1-c1ccc(OC)cc1 ZINC000019957422 555572082 /nfs/dbraw/zinc/57/20/82/555572082.db2.gz VRANEUHJSPVMSR-KRWDZBQOSA-N 0 0 473.529 4.481 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000019962167 555573394 /nfs/dbraw/zinc/57/33/94/555573394.db2.gz WVNQBJPSSPOJFX-DEOSSOPVSA-N 0 0 467.529 4.154 50 0 JIAARN COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)n3c4ccccc4nc32)cc1 ZINC000019962205 555573649 /nfs/dbraw/zinc/57/36/49/555573649.db2.gz HGGMPNCBHLTTDY-XMMPIXPASA-N 0 0 470.529 4.213 50 0 JIAARN COc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)CCCOc3ccc(OC)cc3)cc2)cc1 ZINC000009985382 555584448 /nfs/dbraw/zinc/58/44/48/555584448.db2.gz IFVLROWCPQUNQA-UHFFFAOYSA-N 0 0 492.528 4.297 50 0 JIAARN O=C(CCCc1nc2ccccc2s1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009986880 555585740 /nfs/dbraw/zinc/58/57/40/555585740.db2.gz CZKDTACHESAUII-UHFFFAOYSA-N 0 0 486.615 4.220 50 0 JIAARN Cc1ccc(NC(=O)COC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)cc1 ZINC000009987752 555586554 /nfs/dbraw/zinc/58/65/54/555586554.db2.gz BQHPPMBFKRGNGT-UHFFFAOYSA-N 0 0 453.564 4.025 50 0 JIAARN Cc1ccc(-c2csc3ncn(CC(=O)c4c[nH]c(C(=O)N5CCCC5)c4)c(=O)c23)cc1C ZINC000009995982 555589266 /nfs/dbraw/zinc/58/92/66/555589266.db2.gz NSMZFWBZDZYAPN-UHFFFAOYSA-N 0 0 460.559 4.189 50 0 JIAARN Cc1ccc(NC(=O)Cc2nc(CN3CCC(C(=O)N4CCCCCC4)CC3)cs2)cc1 ZINC000009996116 555589582 /nfs/dbraw/zinc/58/95/82/555589582.db2.gz XGVFPKKZFVIEPE-UHFFFAOYSA-N 0 0 454.640 4.247 50 0 JIAARN Cc1nn(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c(C)c1Sc1ccccc1 ZINC000010007546 555591504 /nfs/dbraw/zinc/59/15/04/555591504.db2.gz WZCRFPMUWHEYBP-OAQYLSRUSA-N 0 0 455.605 4.453 50 0 JIAARN CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000010012579 555593406 /nfs/dbraw/zinc/59/34/06/555593406.db2.gz NWIWGOFWVHQJIC-UHFFFAOYSA-N 0 0 493.604 4.474 50 0 JIAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)c2C)no1 ZINC000010021306 555596196 /nfs/dbraw/zinc/59/61/96/555596196.db2.gz BPICFWJRSMNYGR-UHFFFAOYSA-N 0 0 483.480 4.231 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1nc(C)nc2scc(-c3ccccc3)c21 ZINC000010022567 555598436 /nfs/dbraw/zinc/59/84/36/555598436.db2.gz VBCMKTYHMABKSI-IBGZPJMESA-N 0 0 481.647 4.476 50 0 JIAARN CCN(Cc1cccs1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000010023692 555598663 /nfs/dbraw/zinc/59/86/63/555598663.db2.gz PPYVKXUTCKFNOP-UHFFFAOYSA-N 0 0 472.588 4.373 50 0 JIAARN COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1=O ZINC000010032352 555601662 /nfs/dbraw/zinc/60/16/62/555601662.db2.gz XLIISKDBFPCMDW-IGKIAQTJSA-N 0 0 491.975 4.107 50 0 JIAARN O=C(Cn1c2sc3c(c2c2nc(-c4cccnc4)nn2c1=O)CCC3)c1ccc(Cl)cc1 ZINC000013728268 555601850 /nfs/dbraw/zinc/60/18/50/555601850.db2.gz QNHUMFYPEYBHNC-UHFFFAOYSA-N 0 0 461.934 4.193 50 0 JIAARN 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COC(=O)c1ccc2c(c1)nc(SCc1nc(-c3ccc(C)cc3)no1)n(CC(C)C)c2=O ZINC000010437958 555710218 /nfs/dbraw/zinc/71/02/18/555710218.db2.gz SXYFFZPIZKHMDG-UHFFFAOYSA-N 0 0 464.547 4.490 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)N[C@H](C)CCc1ccccc1)n(CC(C)C)c2=O ZINC000010438110 555710228 /nfs/dbraw/zinc/71/02/28/555710228.db2.gz COFVWTXMWCFISA-RTBURBONSA-N 0 0 495.645 4.457 50 0 JIAARN COc1cc2nc(=S)n3nc([C@H](C)Oc4ccc(Br)cc4)[nH]c3c2cc1OC ZINC000020216161 555712052 /nfs/dbraw/zinc/71/20/52/555712052.db2.gz AOEPZKMDBBANTP-JTQLQIEISA-N 0 0 461.341 4.486 50 0 JIAARN COc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)ccc1OCc1c(C)noc1C ZINC000010444358 555712369 /nfs/dbraw/zinc/71/23/69/555712369.db2.gz DPDWBKMTRYHGQD-UHFFFAOYSA-N 0 0 463.534 4.370 50 0 JIAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)c3cc(C)n(C4CC4)c3C)c2)cc1 ZINC000010444675 555712388 /nfs/dbraw/zinc/71/23/88/555712388.db2.gz RCPPGGCZMSGUKU-UHFFFAOYSA-N 0 0 496.585 4.313 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000010445435 555712747 /nfs/dbraw/zinc/71/27/47/555712747.db2.gz PDMSTSQCUUOGQD-UHFFFAOYSA-N 0 0 491.613 4.393 50 0 JIAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCN(c2ccccc2O)CC1 ZINC000020220750 555717410 /nfs/dbraw/zinc/71/74/10/555717410.db2.gz NAGTZTAEBFSDKB-UHFFFAOYSA-N 0 0 453.589 4.426 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)ccc1Cl ZINC000010503899 555721607 /nfs/dbraw/zinc/72/16/07/555721607.db2.gz DOTSUGUSQBAXHE-QGZVFWFLSA-N 0 0 475.014 4.267 50 0 JIAARN COc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(Br)cc3)n2)cc1OC ZINC000010537192 555723701 /nfs/dbraw/zinc/72/37/01/555723701.db2.gz VUGALGGYSJQYDZ-UHFFFAOYSA-N 0 0 496.383 4.116 50 0 JIAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000014181232 555723810 /nfs/dbraw/zinc/72/38/10/555723810.db2.gz VXROAQJGTMVLCQ-MUUNZHRXSA-N 0 0 465.557 4.396 50 0 JIAARN Cc1c(-c2ccccc2)sc(NC(=O)c2cnc3ccccc3n2)c1C(=O)N1CCOCC1 ZINC000014183363 555724751 /nfs/dbraw/zinc/72/47/51/555724751.db2.gz MBIDUSGATMYIJS-UHFFFAOYSA-N 0 0 458.543 4.391 50 0 JIAARN COc1cccc(NC(=O)[C@@H](NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2)c1 ZINC000014184977 555726347 /nfs/dbraw/zinc/72/63/47/555726347.db2.gz RRTGTTFXQLBSOV-SANMLTNESA-N 0 0 493.629 4.339 50 0 JIAARN CCN(CC(=O)NCc1cccs1)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000014184921 555726444 /nfs/dbraw/zinc/72/64/44/555726444.db2.gz UYLYJHTWIOSRHJ-UHFFFAOYSA-N 0 0 470.978 4.176 50 0 JIAARN COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000010545302 555726494 /nfs/dbraw/zinc/72/64/94/555726494.db2.gz UFQYXGHUULDULN-ICSRJNTNSA-N 0 0 496.633 4.154 50 0 JIAARN Cc1sc2ncn(CCC(=O)Nc3ccc4nc(N5CCCC5)sc4c3)c(=O)c2c1C ZINC000014196554 555729227 /nfs/dbraw/zinc/72/92/27/555729227.db2.gz FLUKLPXOIGYXSS-UHFFFAOYSA-N 0 0 453.593 4.314 50 0 JIAARN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000010707317 555735173 /nfs/dbraw/zinc/73/51/73/555735173.db2.gz XNYVDPKHWBLDRE-QGZVFWFLSA-N 0 0 453.608 4.051 50 0 JIAARN CC(=O)c1ccc(N2CCN(C(=O)COC(=O)c3ccc(-c4ccccc4Cl)o3)CC2)c(F)c1 ZINC000010713367 555735696 /nfs/dbraw/zinc/73/56/96/555735696.db2.gz FKGVZZKSQQDSQV-UHFFFAOYSA-N 0 0 484.911 4.447 50 0 JIAARN O=C(CN1CCN(C(=O)CCc2nc3ccccc3s2)CC1)Nc1ccccc1C(F)(F)F ZINC000014229337 555736404 /nfs/dbraw/zinc/73/64/04/555736404.db2.gz ZEUJODZPXYZSPE-UHFFFAOYSA-N 0 0 476.524 4.031 50 0 JIAARN O=C(CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)Nc1ccc(F)c(F)c1F ZINC000014230550 555736872 /nfs/dbraw/zinc/73/68/72/555736872.db2.gz NRNAKDJMWJGWLN-UHFFFAOYSA-N 0 0 476.764 4.330 50 0 JIAARN COc1ccc(C(=O)N2CCC(C(=O)NCCn3c(C)nc4ccccc43)CC2)c2ccccc12 ZINC000010737395 555737071 /nfs/dbraw/zinc/73/70/71/555737071.db2.gz KLBLPTIRBXRKQC-UHFFFAOYSA-N 0 0 470.573 4.175 50 0 JIAARN C[C@@H](NC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)c1ccc(Cl)c(Cl)c1 ZINC000014233287 555738202 /nfs/dbraw/zinc/73/82/02/555738202.db2.gz FUBDUWKXKSAHDE-HIFRSBDPSA-N 0 0 466.390 4.032 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000014235322 555739091 /nfs/dbraw/zinc/73/90/91/555739091.db2.gz ZPPFOGMXSXRPSD-UHFFFAOYSA-N 0 0 494.661 4.303 50 0 JIAARN CCOc1cc(C(=O)N(C)Cc2nc3ccccc3s2)ccc1OCC(=O)N1CCCCC1 ZINC000014238989 555740383 /nfs/dbraw/zinc/74/03/83/555740383.db2.gz IMMPWASILBMAQS-UHFFFAOYSA-N 0 0 467.591 4.359 50 0 JIAARN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2cccnc2Cl)nc1C ZINC000010801581 555741280 /nfs/dbraw/zinc/74/12/80/555741280.db2.gz SHZRPLBBRCGOBD-UHFFFAOYSA-N 0 0 473.938 4.067 50 0 JIAARN O=C(Nc1ccc(Br)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010812277 555741465 /nfs/dbraw/zinc/74/14/65/555741465.db2.gz HHBCVHKLLHXHCK-CYBMUJFWSA-N 0 0 463.806 4.346 50 0 JIAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000014241590 555742493 /nfs/dbraw/zinc/74/24/93/555742493.db2.gz ZNUQRJPKHCZAGN-UHFFFAOYSA-N 0 0 464.525 4.118 50 0 JIAARN CCOc1c(Br)cc(Cl)cc1NCC(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000010945200 555748379 /nfs/dbraw/zinc/74/83/79/555748379.db2.gz UFQFYCLYFBGILN-UHFFFAOYSA-N 0 0 466.763 4.461 50 0 JIAARN COc1ccccc1N(C(C)=O)c1nc(COC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cs1 ZINC000010954512 555748554 /nfs/dbraw/zinc/74/85/54/555748554.db2.gz ANSRZPXRFUPCAX-QKKBWIMNSA-N 0 0 454.504 4.108 50 0 JIAARN COC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000010947005 555748650 /nfs/dbraw/zinc/74/86/50/555748650.db2.gz ZHMUSOPZEGGNOH-LJQANCHMSA-N 0 0 477.380 4.349 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(CCc4ccc(C)cc4)CC3)CC2)cc1 ZINC000010960101 555749237 /nfs/dbraw/zinc/74/92/37/555749237.db2.gz VTPCMCNEWDWCAN-UHFFFAOYSA-N 0 0 496.673 4.470 50 0 JIAARN COc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(Cc3ccc(OC)c(OC)c3)C2=O)c1 ZINC000020274362 555749340 /nfs/dbraw/zinc/74/93/40/555749340.db2.gz MCLRZSFTZFPGQL-JOCHJYFZSA-N 0 0 489.528 4.079 50 0 JIAARN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000014246579 555749656 /nfs/dbraw/zinc/74/96/56/555749656.db2.gz NUVLBDRSXRWGKH-NRFANRHFSA-N 0 0 493.633 4.170 50 0 JIAARN COc1ccc(N(CCC(=O)NCc2ccccc2)S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000014246661 555750074 /nfs/dbraw/zinc/75/00/74/555750074.db2.gz MPQVSQOWWGBABY-UHFFFAOYSA-N 0 0 458.967 4.250 50 0 JIAARN COc1ccc(-c2cn3c(C)c(C(=O)NCCc4ccc(OC)c(OC)c4)sc3n2)cc1 ZINC000020280095 555751268 /nfs/dbraw/zinc/75/12/68/555751268.db2.gz GVPDPLRFJRQHQE-UHFFFAOYSA-N 0 0 451.548 4.370 50 0 biogenic JIAARN CN(C)c1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cn1 ZINC000014249275 555752245 /nfs/dbraw/zinc/75/22/45/555752245.db2.gz PDBCKTVXNORQEC-HSZRJFAPSA-N 0 0 457.534 4.105 50 0 JIAARN COC(=O)c1sccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000011019986 555753308 /nfs/dbraw/zinc/75/33/08/555753308.db2.gz FBPPJFHDERJJSO-UHFFFAOYSA-N 0 0 454.533 4.165 50 0 JIAARN CNC(=O)NC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1 ZINC000011022211 555753813 /nfs/dbraw/zinc/75/38/13/555753813.db2.gz UODBCOWPCHVAAU-UHFFFAOYSA-N 0 0 469.876 4.154 50 0 JIAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cnc4c(c3)c(C)nn4C)[C@@H]2c2ccccc2OC)cc1 ZINC000014251342 555753846 /nfs/dbraw/zinc/75/38/46/555753846.db2.gz JJBVJYOLJYRSHI-NVQXNPDNSA-N 0 0 499.571 4.417 50 0 JIAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)cc2)C[C@H](C)O1 ZINC000011024923 555754313 /nfs/dbraw/zinc/75/43/13/555754313.db2.gz WSWUAWRHIHEGTP-ROUUACIJSA-N 0 0 490.585 4.280 50 0 JIAARN Cc1ccc2oc(=O)c3cc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)sc3c2c1 ZINC000020286363 555754720 /nfs/dbraw/zinc/75/47/20/555754720.db2.gz NCYYRTWJQAVCQM-UHFFFAOYSA-N 0 0 462.527 4.003 50 0 JIAARN C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)C1=O ZINC000014253457 555755291 /nfs/dbraw/zinc/75/52/91/555755291.db2.gz SWORVZJXMPKMRM-OYLFLEFRSA-N 0 0 482.993 4.123 50 0 JIAARN C[C@H](NC(=O)C(=O)NCc1ccccc1Cl)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288391 555757719 /nfs/dbraw/zinc/75/77/19/555757719.db2.gz HPMSDHSJRLGHSD-CYFREDJKSA-N 0 0 497.064 4.086 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000011076216 555758112 /nfs/dbraw/zinc/75/81/12/555758112.db2.gz GCWOZGFBVLYXMG-RUZDIDTESA-N 0 0 463.603 4.335 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CN2c3ccc(CC)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000011119451 555760804 /nfs/dbraw/zinc/76/08/04/555760804.db2.gz IIRZIDGDEHSFRY-UHFFFAOYSA-N 0 0 464.543 4.240 50 0 JIAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000011119781 555761001 /nfs/dbraw/zinc/76/10/01/555761001.db2.gz MWTFZVFLSVCXJC-UHFFFAOYSA-N 0 0 489.597 4.299 50 0 JIAARN COc1cccc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3OC)CC2)c1 ZINC000020289732 555761184 /nfs/dbraw/zinc/76/11/84/555761184.db2.gz RJMSJXSVHYFSBW-UQBPGWFLSA-N 0 0 465.619 4.447 50 0 JIAARN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2c(OC)cccc2OC)nc1C ZINC000011135537 555762752 /nfs/dbraw/zinc/76/27/52/555762752.db2.gz FWKMOTHESBPWEY-UHFFFAOYSA-N 0 0 498.557 4.036 50 0 JIAARN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(C(C)C)cc2)N(CCCN2CCOCC2)C1=O ZINC000020308383 555764368 /nfs/dbraw/zinc/76/43/68/555764368.db2.gz IPIHEOOLGKBFEA-RUZDIDTESA-N 0 0 476.573 4.193 50 0 JIAARN O=C(CNC(=O)c1ccc(Br)o1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000011168662 555764602 /nfs/dbraw/zinc/76/46/02/555764602.db2.gz WJUGBYZYIZPXQA-UHFFFAOYSA-N 0 0 482.128 4.111 50 0 JIAARN CCOc1cc2c(cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)O[C@@H](C)C2 ZINC000011235684 555768648 /nfs/dbraw/zinc/76/86/48/555768648.db2.gz VHILIUYUWMOMOK-KRWDZBQOSA-N 0 0 484.549 4.382 50 0 JIAARN O=C(COC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)NC1c2ccccc2-c2ccccc21 ZINC000011260844 555770022 /nfs/dbraw/zinc/77/00/22/555770022.db2.gz APXYQLBYNYPZKB-UHFFFAOYSA-N 0 0 490.506 4.246 50 0 JIAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1=O ZINC000011288223 555771335 /nfs/dbraw/zinc/77/13/35/555771335.db2.gz ILRSRTVWISZUHD-RUZDIDTESA-N 0 0 479.920 4.060 50 0 JIAARN Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000020324007 555772016 /nfs/dbraw/zinc/77/20/16/555772016.db2.gz WKNYEBJYOLOCAW-OAQYLSRUSA-N 0 0 457.486 4.090 50 0 JIAARN COc1ccc(CCN2C(=O)N(c3cccc(C)c3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 ZINC000020324365 555772280 /nfs/dbraw/zinc/77/22/80/555772280.db2.gz PLLIAAHCEUUQPP-DEOSSOPVSA-N 0 0 457.530 4.412 50 0 JIAARN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)NCCCOCc1ccccc1 ZINC000011323391 555772580 /nfs/dbraw/zinc/77/25/80/555772580.db2.gz WTPZUEBERUSZSX-UHFFFAOYSA-N 0 0 461.385 4.049 50 0 JIAARN COC(=O)c1ccc(CNC(=O)CN(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000011343877 555774394 /nfs/dbraw/zinc/77/43/94/555774394.db2.gz IYHHABDLLJMBGJ-LJQANCHMSA-N 0 0 459.546 4.035 50 0 JIAARN COc1ccccc1-c1nnc(SCCS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000011388610 555776667 /nfs/dbraw/zinc/77/66/67/555776667.db2.gz ZDDMSDUQZYYMMR-UHFFFAOYSA-N 0 0 455.355 4.074 50 0 JIAARN CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1cc(-c2ccc(OC)cc2)no1 ZINC000011394980 555777106 /nfs/dbraw/zinc/77/71/06/555777106.db2.gz HIKUPZUDMLCBJW-UHFFFAOYSA-N 0 0 458.565 4.050 50 0 JIAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)NC(=O)c1ccc(OC(F)F)cc1 ZINC000011398397 555777360 /nfs/dbraw/zinc/77/73/60/555777360.db2.gz GYUNSCLFWKSMHU-UHFFFAOYSA-N 0 0 466.396 4.210 50 0 JIAARN C[C@@H](OC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C(=O)c1ccc(F)c(F)c1 ZINC000011403260 555777575 /nfs/dbraw/zinc/77/75/75/555777575.db2.gz XQIOCLOCDDKBIW-CQSZACIVSA-N 0 0 495.525 4.045 50 0 JIAARN C[C@H](OC(=O)c1ccccc1S[C@@H](C)C(=O)N1CCC(C)CC1)C(=O)N1CCC(C)CC1 ZINC000011526209 555785774 /nfs/dbraw/zinc/78/57/74/555785774.db2.gz RCOZXFQVXSOFRS-PMACEKPBSA-N 0 0 460.640 4.230 50 0 JIAARN O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2)c1ccc(Br)o1 ZINC000011613135 555790169 /nfs/dbraw/zinc/79/01/69/555790169.db2.gz UEPFDLGTJOPPMD-UHFFFAOYSA-N 0 0 461.337 4.041 50 0 JIAARN CCCN1C(=O)N=NC1SCC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OC ZINC000011650803 555794018 /nfs/dbraw/zinc/79/40/18/555794018.db2.gz CLLOFGRFHMFHKV-UHFFFAOYSA-N 0 0 466.972 4.293 50 0 JIAARN Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)o2)c(C)c1 ZINC000011665581 555794661 /nfs/dbraw/zinc/79/46/61/555794661.db2.gz 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JIAARN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030613 555865000 /nfs/dbraw/zinc/86/50/00/555865000.db2.gz JATIRVNZSXGEIV-AWEZNQCLSA-N 0 0 471.321 4.402 50 0 JIAARN CCOc1ccc(CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011914666 555865176 /nfs/dbraw/zinc/86/51/76/555865176.db2.gz NLRPRJOVAVRSFP-LJQANCHMSA-N 0 0 474.966 4.223 50 0 JIAARN CCOc1c(Cl)cc(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1OC ZINC000022064371 555868560 /nfs/dbraw/zinc/86/85/60/555868560.db2.gz SVECQCWAWCWGCT-UHFFFAOYSA-N 0 0 481.983 4.495 50 0 JIAARN Cc1ccsc1CN(C(=O)c1cc(-c2ccc(Cl)cc2)on1)[C@@H]1CCS(=O)(=O)C1 ZINC000011917543 555868583 /nfs/dbraw/zinc/86/85/83/555868583.db2.gz BLOLHSZMESSZEQ-MRXNPFEDSA-N 0 0 450.969 4.194 50 0 JIAARN COc1cc(OC)c(C2=CCN(C(=O)CCc3nc(-c4ccc(F)cc4)no3)CC2)c(OC)c1 ZINC000011918873 555869305 /nfs/dbraw/zinc/86/93/05/555869305.db2.gz RAMRTQXGLHMERJ-UHFFFAOYSA-N 0 0 467.497 4.150 50 0 JIAARN CCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)c3cccs3)CC2)[C@H]1OCc1cccnc1 ZINC000011971017 555873873 /nfs/dbraw/zinc/87/38/73/555873873.db2.gz AUUQFDXCWFEZHP-RPBOFIJWSA-N 0 0 475.614 4.483 50 0 JIAARN COc1cccc(C[C@H](C2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)N(C)C(=O)c2ccn(C)n2)c1 ZINC000011972862 555874598 /nfs/dbraw/zinc/87/45/98/555874598.db2.gz PHPCLSUEACYHSA-KDYSTLNUSA-N 0 0 488.632 4.154 50 0 JIAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015096113 555876354 /nfs/dbraw/zinc/87/63/54/555876354.db2.gz HRIXGFOHAFJFJV-MRXNPFEDSA-N 0 0 458.488 4.117 50 0 JIAARN COC(=O)c1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccc(OC)cc3s2)cc1 ZINC000015108144 555878060 /nfs/dbraw/zinc/87/80/60/555878060.db2.gz IBAHTIXBQFAHCY-FQEVSTJZSA-N 0 0 480.571 4.360 50 0 JIAARN COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011996901 555878489 /nfs/dbraw/zinc/87/84/89/555878489.db2.gz IPOLLGJHHFEODX-MRXNPFEDSA-N 0 0 459.955 4.132 50 0 JIAARN CS(=O)(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)Cc2ccc(Cl)cc2)C3)cc1 ZINC000012002092 555882727 /nfs/dbraw/zinc/88/27/27/555882727.db2.gz CNDYSZXKHRKYSW-FQEVSTJZSA-N 0 0 455.963 4.073 50 0 JIAARN Cc1ccc(NC(=O)CNC(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000022185797 555882785 /nfs/dbraw/zinc/88/27/85/555882785.db2.gz OPLCJDFLZMHHHL-UHFFFAOYSA-N 0 0 472.954 4.209 50 0 JIAARN O=C(Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1)c1cc(C2CC2)on1 ZINC000012009485 555884609 /nfs/dbraw/zinc/88/46/09/555884609.db2.gz VMPAQBOEPGCGSZ-UHFFFAOYSA-N 0 0 454.446 4.413 50 0 JIAARN C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)Nc1cccc(Cl)c1 ZINC000015221745 555885125 /nfs/dbraw/zinc/88/51/25/555885125.db2.gz IOHMSVSZAGSHQO-CQSZACIVSA-N 0 0 485.389 4.352 50 0 JIAARN CCOc1ccc(-c2nnc(SCc3csc(-c4cccc(OC)c4OC)n3)n2N)cc1 ZINC000022221661 555885566 /nfs/dbraw/zinc/88/55/66/555885566.db2.gz QYIKLRITYVTZBG-UHFFFAOYSA-N 0 0 469.592 4.491 50 0 JIAARN C[C@H](OC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000022219693 555885608 /nfs/dbraw/zinc/88/56/08/555885608.db2.gz RBXDLUYUBHUERR-KRWDZBQOSA-N 0 0 479.558 4.021 50 0 JIAARN COc1ccccc1-c1nc2cc(C(=O)N3CCCC[C@@H]3c3nccn3C)cc(NC(C)=O)c2n1C ZINC000012031761 555887122 /nfs/dbraw/zinc/88/71/22/555887122.db2.gz PDFVSTPOKFVBQJ-JOCHJYFZSA-N 0 0 486.576 4.308 50 0 JIAARN CC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)c3sc(C)nc3C)CC2)[C@H]1OCc1ccccn1 ZINC000012034829 555888240 /nfs/dbraw/zinc/88/82/40/555888240.db2.gz WCAIPONFDHUBBC-NOZRDPDXSA-N 0 0 490.629 4.105 50 0 JIAARN CCOc1ccccc1N1CCN(C(=O)c2cnn(-c3nccc(-c4ccc(C)o4)n3)c2C2CC2)CC1 ZINC000012034850 555888586 /nfs/dbraw/zinc/88/85/86/555888586.db2.gz QSXQWOGRDIOXPW-UHFFFAOYSA-N 0 0 498.587 4.469 50 0 JIAARN COCCCNC(=O)c1cnn(-c2ncc(C)c(-c3ccc(F)cc3)n2)c1-c1cccs1 ZINC000012036715 555889756 /nfs/dbraw/zinc/88/97/56/555889756.db2.gz OJQPXIAWBOAFTI-UHFFFAOYSA-N 0 0 451.527 4.272 50 0 JIAARN Cc1ccc(C(=O)N2CCC([C@]3(Cc4cccc(F)c4)NC(=O)N(CC(C)C)C3=O)CC2)c(C)c1 ZINC000012038730 555891675 /nfs/dbraw/zinc/89/16/75/555891675.db2.gz JRKWMZXDARPAFH-NDEPHWFRSA-N 0 0 479.596 4.484 50 0 JIAARN O=C(CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)NCc1ccc2c(c1)OCO2 ZINC000012040776 555893484 /nfs/dbraw/zinc/89/34/84/555893484.db2.gz YCPZOJVFQAPFEI-MUUNZHRXSA-N 0 0 456.542 4.370 50 0 JIAARN CCC(=O)N(C)[C@H](Cc1ccc(F)cc1F)C1CCN(C(=O)[C@H]2CC(=O)c3ccccc32)CC1 ZINC000012051334 555896287 /nfs/dbraw/zinc/89/62/87/555896287.db2.gz CNJKCQVMBIRQOJ-LADGPHEKSA-N 0 0 468.544 4.353 50 0 JIAARN Cc1cccc(C(=O)N2CCC([C@@]3(c4cccnc4)NC(=O)N(Cc4ccsc4)C3=O)CC2)c1C ZINC000012051670 555896416 /nfs/dbraw/zinc/89/64/16/555896416.db2.gz OMEZHANTGNZZBF-MHZLTWQESA-N 0 0 488.613 4.260 50 0 JIAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(CCc3cccs3)C2=S)cc1 ZINC000015320193 555897630 /nfs/dbraw/zinc/89/76/30/555897630.db2.gz RVOKAOHRJYWLAI-OAQYLSRUSA-N 0 0 465.600 4.330 50 0 JIAARN O=C(COc1cccc2ccc(N3CCN(c4ccccc4)CC3)nc21)Nc1ccc2c(c1)OCCO2 ZINC000015390656 555902178 /nfs/dbraw/zinc/90/21/78/555902178.db2.gz YDHRZGAVBLAUHC-UHFFFAOYSA-N 0 0 496.567 4.350 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000015391079 555902779 /nfs/dbraw/zinc/90/27/79/555902779.db2.gz OXHMNJZPQGNXGV-QGZVFWFLSA-N 0 0 467.385 4.030 50 0 JIAARN CCc1nc2cc(C(=O)N[C@H]3CCOC(C)(C)C3)cc(NC(=O)c3ccccc3OC)c2n1C ZINC000012079360 555902827 /nfs/dbraw/zinc/90/28/27/555902827.db2.gz BVOUFDISMTYSSC-KRWDZBQOSA-N 0 0 464.566 4.084 50 0 JIAARN COc1ccc([C@H]2C(=O)N(c3ccc(OC)cc3OC)CC(=O)N2c2ccc(C)cc2C)cc1 ZINC000015412773 555905081 /nfs/dbraw/zinc/90/50/81/555905081.db2.gz RIUXWXQXRXPUTI-SANMLTNESA-N 0 0 460.530 4.450 50 0 JIAARN COc1ccc(CCNC(=O)[C@@H](C)SCc2cc(OC)c(OC)cc2Br)cc1 ZINC000015495316 555911382 /nfs/dbraw/zinc/91/13/82/555911382.db2.gz RMEHQJJFFNUFOS-CQSZACIVSA-N 0 0 468.413 4.456 50 0 JIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 ZINC000012130505 555911669 /nfs/dbraw/zinc/91/16/69/555911669.db2.gz QFXOGXDXGFNFQM-UHFFFAOYSA-N 0 0 467.957 4.161 50 0 JIAARN COc1ccc(Cl)cc1CN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000015551236 555915194 /nfs/dbraw/zinc/91/51/94/555915194.db2.gz XGNQUOMHMNLDQZ-UHFFFAOYSA-N 0 0 453.852 4.019 50 0 JIAARN COc1ccc(-c2nc(S[C@@H](CC(=O)NCc3cccnc3)c3cccs3)n[nH]2)cc1 ZINC000012139663 555915846 /nfs/dbraw/zinc/91/58/46/555915846.db2.gz FVVNEBPHPITHAQ-IBGZPJMESA-N 0 0 451.577 4.477 50 0 JIAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000012140108 555917032 /nfs/dbraw/zinc/91/70/32/555917032.db2.gz GOKQWQYJKQWQJZ-MRXNPFEDSA-N 0 0 470.547 4.282 50 0 JIAARN CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)c1 ZINC000015600111 555918062 /nfs/dbraw/zinc/91/80/62/555918062.db2.gz UNWSLBVFTXOXBD-KROKWJMESA-N 0 0 489.682 4.061 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2cc(C)cc(C)c2)SCC3)cc1 ZINC000012140546 555918210 /nfs/dbraw/zinc/91/82/10/555918210.db2.gz CVXQRMKNBIOFHE-UHFFFAOYSA-N 0 0 453.589 4.237 50 0 JIAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2ccc(Cl)cc2)CCS3)cc1OC ZINC000012140677 555918863 /nfs/dbraw/zinc/91/88/63/555918863.db2.gz ODYJGUCROJCZSX-UHFFFAOYSA-N 0 0 490.006 4.282 50 0 JIAARN Cc1ccc(-c2cc(C(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)c3c(C)noc3n2)s1 ZINC000022311237 555920369 /nfs/dbraw/zinc/92/03/69/555920369.db2.gz KSGJRPSTOSCUEB-LJQANCHMSA-N 0 0 462.531 4.064 50 0 JIAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000015632039 555920410 /nfs/dbraw/zinc/92/04/10/555920410.db2.gz HPALEAZDTWEUBB-UHFFFAOYSA-N 0 0 450.564 4.177 50 0 JIAARN Cc1ncsc1CN(Cc1ccccc1)C(=O)CSc1ccc2nnc(-c3cccnc3)n2n1 ZINC000012148770 555920775 /nfs/dbraw/zinc/92/07/75/555920775.db2.gz FONVEYDIGFXURB-UHFFFAOYSA-N 0 0 487.614 4.272 50 0 JIAARN O=C(N[C@@H](NCc1ccccc1)C(Br)(Br)Br)c1ccccc1 ZINC000015636948 555921104 /nfs/dbraw/zinc/92/11/04/555921104.db2.gz JDFPCWDYZRTUTD-OAHLLOKOSA-N 0 0 491.021 4.371 50 0 JIAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000015638707 555921377 /nfs/dbraw/zinc/92/13/77/555921377.db2.gz APUWGENWDSWGPE-GOSISDBHSA-N 0 0 452.942 4.054 50 0 JIAARN COc1ccc(C[C@@]2(CCC(=O)N3CCC[C@@H](COc4ccc(F)cc4)C3)CCC(=O)N2)cc1OC ZINC000012150715 555922705 /nfs/dbraw/zinc/92/27/05/555922705.db2.gz PHBOIDCNHWWBMJ-PIKZIKFNSA-N 0 0 498.595 4.132 50 0 JIAARN O=C(Nc1cnn(-c2ccc(C(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)cc2)c1)C1CCOCC1 ZINC000012150904 555923126 /nfs/dbraw/zinc/92/31/26/555923126.db2.gz NBMRJQZRKCCXHP-NRFANRHFSA-N 0 0 498.587 4.134 50 0 JIAARN O=C(Nc1cnn(-c2ccc(C(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)cc2)c1)C1CCOCC1 ZINC000012150903 555923171 /nfs/dbraw/zinc/92/31/71/555923171.db2.gz NBMRJQZRKCCXHP-OAQYLSRUSA-N 0 0 498.587 4.134 50 0 JIAARN C/C=C(\C)CN1C[C@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)NCc1ccccc1OC ZINC000012151254 555923763 /nfs/dbraw/zinc/92/37/63/555923763.db2.gz TXDNMARIXMRNRW-BHVIYNAPSA-N 0 0 450.608 4.389 50 0 JIAARN Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)CC(=O)N2 ZINC000015670060 555924957 /nfs/dbraw/zinc/92/49/57/555924957.db2.gz HCTUAWNBSIKFFY-SFHVURJKSA-N 0 0 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C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022373530 555927172 /nfs/dbraw/zinc/92/71/72/555927172.db2.gz PJMKCJPTDSYMOR-HXUWFJFHSA-N 0 0 476.646 4.337 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)cc1C ZINC000015671340 555928284 /nfs/dbraw/zinc/92/82/84/555928284.db2.gz AYDUOTGJADBXGR-UHFFFAOYSA-N 0 0 453.568 4.247 50 0 JIAARN CCN(Cc1ccccc1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000012185045 555936460 /nfs/dbraw/zinc/93/64/60/555936460.db2.gz GXXKAOORNFQILL-GDLZYMKVSA-N 0 0 484.552 4.051 50 0 JIAARN O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)c1ccc(-c3ccc(F)cc3)cc1)CC2 ZINC000012208321 555942367 /nfs/dbraw/zinc/94/23/67/555942367.db2.gz LNLYMGLHKDGJEF-VWLOTQADSA-N 0 0 457.549 4.489 50 0 JIAARN CCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)c3occc3C)CC2)[C@H]1OCc1cccnc1 ZINC000012208387 555942691 /nfs/dbraw/zinc/94/26/91/555942691.db2.gz SLXZONJGKKLKHZ-RSXGOPAZSA-N 0 0 473.573 4.323 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CSc2ccc3ccccc3c2)c1 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COc1cc(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)ccc1OC(C)C ZINC000012551954 556034245 /nfs/dbraw/zinc/03/42/45/556034245.db2.gz SOGLBUFVRWDEMF-UHFFFAOYSA-N 0 0 461.565 4.230 50 0 JIAARN O=C(Nc1cc2c(cc1Cl)OCO2)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012552349 556035252 /nfs/dbraw/zinc/03/52/52/556035252.db2.gz QIYPFGJXOHQLRR-UHFFFAOYSA-N 0 0 482.345 4.456 50 0 JIAARN O=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc3c(c2)nnn3C2CCCC2)CC1 ZINC000015863253 556037331 /nfs/dbraw/zinc/03/73/31/556037331.db2.gz OHQDOUOVBRSCDK-UHFFFAOYSA-N 0 0 465.985 4.368 50 0 JIAARN CCOC(=O)[C@H](c1cc(OC)ccc1OC)[C@H]1C=C[C@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC000023304630 556039427 /nfs/dbraw/zinc/03/94/27/556039427.db2.gz FLZFNAWCSRYHGO-YRVVQQKDSA-N 0 0 463.452 4.143 50 0 JIAARN CCN(Cn1nc(-c2ccccc2)n(-c2ccc(C)c(C)c2)c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012554838 556039829 /nfs/dbraw/zinc/03/98/29/556039829.db2.gz SWKKIAKHLAWBTM-NRFANRHFSA-N 0 0 456.637 4.154 50 0 JIAARN CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C(=O)C2CCCCC2)CC1 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COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ccc(C)cc2)c(OC)c1 ZINC000015883948 556059148 /nfs/dbraw/zinc/05/91/48/556059148.db2.gz WNCZYIOTLBKKPR-UHFFFAOYSA-N 0 0 454.548 4.114 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N(CC)CC)cc2)Cc2ccco2)cc1 ZINC000012564708 556060894 /nfs/dbraw/zinc/06/08/94/556060894.db2.gz WNMMXFBVCDJUBZ-UHFFFAOYSA-N 0 0 485.606 4.354 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2[C@H]2CCCC[C@@H]2C)cc1 ZINC000012566713 556065003 /nfs/dbraw/zinc/06/50/03/556065003.db2.gz LMCQMAISIVVNIB-YJBOKZPZSA-N 0 0 459.616 4.421 50 0 JIAARN O=S(=O)(c1ccc2c(c1)nc(SCc1cccc(F)c1)n2C[C@H]1CCCO1)N1CCCC1 ZINC000023451287 556065951 /nfs/dbraw/zinc/06/59/51/556065951.db2.gz DLMBTIPKQQUWOY-LJQANCHMSA-N 0 0 475.611 4.431 50 0 JIAARN COc1ccc(CN(C(=O)c2oc3cc(C)c(C)cc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000015919333 556067015 /nfs/dbraw/zinc/06/70/15/556067015.db2.gz YZNSFQNELXFWNN-LJQANCHMSA-N 0 0 471.575 4.205 50 0 JIAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2C2CC2)cc1 ZINC000015919326 556067042 /nfs/dbraw/zinc/06/70/42/556067042.db2.gz YLMRXWWYJJIGMH-QFIPXVFZSA-N 0 0 467.591 4.367 50 0 JIAARN COc1ccc(N(Cc2cc(-c3ccco3)on2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000012567653 556067128 /nfs/dbraw/zinc/06/71/28/556067128.db2.gz BQEIXRIYMOFGCH-UHFFFAOYSA-N 0 0 468.487 4.110 50 0 JIAARN COCCCN1C(=O)c2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1c1ccc(O)c(OC)c1 ZINC000015920708 556069211 /nfs/dbraw/zinc/06/92/11/556069211.db2.gz JIGVUOOOLIDASS-OAQYLSRUSA-N 0 0 472.339 4.135 50 0 JIAARN O=C(Nc1ccnn1C1CCN(C(=O)C(=O)c2ccccc2)CC1)Nc1ccccc1Cl ZINC000012571698 556073586 /nfs/dbraw/zinc/07/35/86/556073586.db2.gz GYPKXQPUVZZDPH-UHFFFAOYSA-N 0 0 451.914 4.227 50 0 JIAARN COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)c(OC)c1 ZINC000015940478 556075564 /nfs/dbraw/zinc/07/55/64/556075564.db2.gz JKYYGOZPRIPIBU-UHFFFAOYSA-N 0 0 472.538 4.224 50 0 JIAARN CN(C)S(=O)(=O)c1ccc2oc(SCCOc3cccc(Br)c3)nc2c1 ZINC000012578729 556077734 /nfs/dbraw/zinc/07/77/34/556077734.db2.gz OGGHSAJNFALRNF-UHFFFAOYSA-N 0 0 457.371 4.012 50 0 JIAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)NCC3CCCCC3)n2C[C@H]2CCCO2)cc1 ZINC000023546913 556077852 /nfs/dbraw/zinc/07/78/52/556077852.db2.gz PPTOJZATKXMNCT-DYESRHJHSA-N 0 0 458.628 4.310 50 0 JIAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC000012581546 556079379 /nfs/dbraw/zinc/07/93/79/556079379.db2.gz XSQOEECQUHRLER-MHZLTWQESA-N 0 0 471.513 4.067 50 0 JIAARN CN1CCc2nc(NC(=O)C[C@H](NC(=O)c3ccccc3Cl)c3ccccc3)sc2C1 ZINC000023607875 556080311 /nfs/dbraw/zinc/08/03/11/556080311.db2.gz GRJAQLIHKCQBEP-IBGZPJMESA-N 0 0 454.983 4.284 50 0 JIAARN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)Cn3c4ccccc4nc3C(F)(F)F)n2)cc1 ZINC000012582861 556080426 /nfs/dbraw/zinc/08/04/26/556080426.db2.gz DIOLZTDJLUBWPL-UHFFFAOYSA-N 0 0 495.508 4.189 50 0 JIAARN COc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000015951870 556086876 /nfs/dbraw/zinc/08/68/76/556086876.db2.gz UFLYHCIKJKWSKZ-UHFFFAOYSA-N 0 0 457.552 4.257 50 0 JIAARN CCOC(=O)N1CCC(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000023798854 556088630 /nfs/dbraw/zinc/08/86/30/556088630.db2.gz JDYWAQLNDVQWSK-UHFFFAOYSA-N 0 0 466.969 4.472 50 0 JIAARN COc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1S(=O)(=O)NC1CCCC1 ZINC000012594126 556089215 /nfs/dbraw/zinc/08/92/15/556089215.db2.gz WSYURKFDMHGCRN-HNNXBMFYSA-N 0 0 473.620 4.359 50 0 JIAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1csc(Nc3ccccc3)n1)C2=O ZINC000023845334 556091492 /nfs/dbraw/zinc/09/14/92/556091492.db2.gz MXCPYUWKXWQQKM-NPMXOYFQSA-N 0 0 456.568 4.067 50 0 JIAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1Br ZINC000023863333 556093269 /nfs/dbraw/zinc/09/32/69/556093269.db2.gz HKTKLGJPRUUXAC-UHFFFAOYSA-N 0 0 465.291 4.117 50 0 JIAARN CN(Cc1ccc(Cl)nc1)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000023891025 556099331 /nfs/dbraw/zinc/09/93/31/556099331.db2.gz JQTPXNNELGGDQC-UHFFFAOYSA-N 0 0 478.401 4.238 50 0 JIAARN CC(C)OC(=S)SCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C ZINC000012660835 556101088 /nfs/dbraw/zinc/10/10/88/556101088.db2.gz YRFRIBDYZIIIDT-HKCQAQHESA-N 0 0 480.692 4.232 50 0 biogenic JIAARN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)CC1 ZINC000023919972 556101127 /nfs/dbraw/zinc/10/11/27/556101127.db2.gz ZOFWYFCTGDNCPH-GJZGRUSLSA-N 0 0 452.605 4.248 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1OC ZINC000015996301 556102942 /nfs/dbraw/zinc/10/29/42/556102942.db2.gz OGBSPKQXOCTVAU-QUMGSSFMSA-N 0 0 480.520 4.102 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccs4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000016000438 556104986 /nfs/dbraw/zinc/10/49/86/556104986.db2.gz ICJATUHUJPNYOZ-KEZOAJOQSA-N 0 0 498.560 4.323 50 0 JIAARN COc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000016006947 556107560 /nfs/dbraw/zinc/10/75/60/556107560.db2.gz UOMFBAXXSKTNLL-KPARNRDPSA-N 0 0 482.511 4.397 50 0 JIAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1 ZINC000023968370 556108936 /nfs/dbraw/zinc/10/89/36/556108936.db2.gz WGJJDSDHCDTPSY-AREMUKBSSA-N 0 0 470.573 4.025 50 0 JIAARN CCc1oc2ccccc2c1CN(C)Cn1c(C[C@@H]2CCS(=O)(=O)C2)nc2ccccc21 ZINC000023982516 556110093 /nfs/dbraw/zinc/11/00/93/556110093.db2.gz XMWWUGVDWDIRBN-SFHVURJKSA-N 0 0 451.592 4.412 50 0 JIAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016011743 556110562 /nfs/dbraw/zinc/11/05/62/556110562.db2.gz AEFPDQHBOGSGGK-DDOIHHOZSA-N 0 0 489.881 4.098 50 0 JIAARN Cc1cc(-n2c(C)cc(-c3csc(-c4cccc(NC(=O)CN5CCOCC5)c4)n3)c2C)no1 ZINC000023989348 556112807 /nfs/dbraw/zinc/11/28/07/556112807.db2.gz QJBHOZBITXVCKU-UHFFFAOYSA-N 0 0 477.590 4.452 50 0 JIAARN CN(c1ccc(OCC(=O)Nc2ccc(Cl)cc2F)cc1)S(=O)(=O)c1cccs1 ZINC000012785402 556112906 /nfs/dbraw/zinc/11/29/06/556112906.db2.gz SEQYJSYXPRYBKM-UHFFFAOYSA-N 0 0 454.932 4.383 50 0 JIAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)N=c3[nH]c4ccccc4[nH]3)[C@@H]2c2ccccc2OC)cc1 ZINC000016019829 556113032 /nfs/dbraw/zinc/11/30/32/556113032.db2.gz RFJYLEROYBHWNG-NLFFAJNJSA-N 0 0 470.529 4.125 50 0 JIAARN C[C@@H](c1nnc(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C ZINC000023989577 556113767 /nfs/dbraw/zinc/11/37/67/556113767.db2.gz JGBATJOPPFMZBQ-AWEZNQCLSA-N 0 0 454.987 4.131 50 0 JIAARN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(Br)c1 ZINC000012819720 556115523 /nfs/dbraw/zinc/11/55/23/556115523.db2.gz UFHHCHBHYCVPCE-ZDUSSCGKSA-N 0 0 463.806 4.264 50 0 JIAARN CCOc1ccc([C@H](c2c(O)cc(C)n(CC)c2=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000024022959 556116640 /nfs/dbraw/zinc/11/66/40/556116640.db2.gz LNJYFUNIOOOECL-AREMUKBSSA-N 0 0 465.569 4.332 50 0 JIAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccc(Cl)cc1Br ZINC000012857669 556118431 /nfs/dbraw/zinc/11/84/31/556118431.db2.gz KIQRNLWSXZHKLS-UHFFFAOYSA-N 0 0 485.165 4.420 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H]3c4ccccc4C=NN23)cc1 ZINC000016038345 556120574 /nfs/dbraw/zinc/12/05/74/556120574.db2.gz ZYGOTKFLKXJDRS-UEQSERJNSA-N 0 0 485.927 4.110 50 0 JIAARN COc1ccc(-c2csc(NC(=O)CN3C(=S)N=NC3c3ccc(C)cc3)n2)cc1OC ZINC000012907420 556126175 /nfs/dbraw/zinc/12/61/75/556126175.db2.gz LHDDJWRIJJVNCR-UHFFFAOYSA-N 0 0 467.576 4.322 50 0 JIAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)N(C)Cc2ccccc2N2CCCCC2)C(C)C)c1 ZINC000024391551 556130595 /nfs/dbraw/zinc/13/05/95/556130595.db2.gz GEXGQTSCJSMZQC-VWLOTQADSA-N 0 0 467.610 4.107 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012911875 556130699 /nfs/dbraw/zinc/13/06/99/556130699.db2.gz GNUOBABQXLSQIV-GOSISDBHSA-N 0 0 469.632 4.409 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012911879 556130795 /nfs/dbraw/zinc/13/07/95/556130795.db2.gz GNUOBABQXLSQIV-SFHVURJKSA-N 0 0 469.632 4.409 50 0 JIAARN Cc1ccc(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)cc1I ZINC000012912295 556131631 /nfs/dbraw/zinc/13/16/31/556131631.db2.gz HRYPJOBYILUCHF-MRXNPFEDSA-N 0 0 470.376 4.281 50 0 JIAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)o1 ZINC000012914725 556134013 /nfs/dbraw/zinc/13/40/13/556134013.db2.gz HBRGVTXQGQAZFZ-MNOVXSKESA-N 0 0 476.555 4.117 50 0 JIAARN Cc1ccc(-c2nc(SCC(=O)N(C)c3ccccc3C(=O)NCc3ccco3)n[nH]2)cc1 ZINC000012915312 556134337 /nfs/dbraw/zinc/13/43/37/556134337.db2.gz GZXYRPSTPQSBLR-UHFFFAOYSA-N 0 0 461.547 4.058 50 0 JIAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1C ZINC000016311948 556134623 /nfs/dbraw/zinc/13/46/23/556134623.db2.gz YELUNGYZLZDZPA-UHFFFAOYSA-N 0 0 478.643 4.454 50 0 JIAARN Cc1oc(-c2ccccc2)nc1CN1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)CC1 ZINC000024572763 556136257 /nfs/dbraw/zinc/13/62/57/556136257.db2.gz JULPAAQCLULHSB-UHFFFAOYSA-N 0 0 490.423 4.227 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)c(C)c1 ZINC000012917852 556136736 /nfs/dbraw/zinc/13/67/36/556136736.db2.gz XXRWXBKQXURDNP-UHFFFAOYSA-N 0 0 476.023 4.227 50 0 JIAARN Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1C ZINC000012919601 556138781 /nfs/dbraw/zinc/13/87/81/556138781.db2.gz VUMSLUQXUPTWLM-UHFFFAOYSA-N 0 0 471.966 4.126 50 0 JIAARN O=C(c1ccc(-c2ccccc2F)o1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000012919647 556138822 /nfs/dbraw/zinc/13/88/22/556138822.db2.gz BRCSSPZIPUZKQH-UHFFFAOYSA-N 0 0 482.455 4.251 50 0 JIAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024606451 556138893 /nfs/dbraw/zinc/13/88/93/556138893.db2.gz CKFJULVYWKZMBM-NSHDSACASA-N 0 0 452.907 4.460 50 0 JIAARN CC(C)Oc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)c1 ZINC000024607229 556139085 /nfs/dbraw/zinc/13/90/85/556139085.db2.gz YMMGSGKCUWZJEI-UHFFFAOYSA-N 0 0 450.988 4.308 50 0 JIAARN O=C(NCCSC1CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607349 556139353 /nfs/dbraw/zinc/13/93/53/556139353.db2.gz PDICYNNPGXNLJY-UHFFFAOYSA-N 0 0 459.077 4.064 50 0 JIAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607324 556139359 /nfs/dbraw/zinc/13/93/59/556139359.db2.gz RFTHCUHHKXJUGE-QGZVFWFLSA-N 0 0 492.041 4.049 50 0 JIAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000024607874 556139370 /nfs/dbraw/zinc/13/93/70/556139370.db2.gz QTAOMZBFJDSACB-INIZCTEOSA-N 0 0 481.549 4.168 50 0 JIAARN CC(C)Oc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1 ZINC000024608653 556139583 /nfs/dbraw/zinc/13/95/83/556139583.db2.gz UUOUSAGQUSZRSV-UHFFFAOYSA-N 0 0 450.988 4.308 50 0 JIAARN O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000024608321 556139696 /nfs/dbraw/zinc/13/96/96/556139696.db2.gz FFHZRVMBZAJELZ-UHFFFAOYSA-N 0 0 475.054 4.363 50 0 JIAARN O=C(NCCSCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000024609804 556140167 /nfs/dbraw/zinc/14/01/67/556140167.db2.gz XEDKUPMSKAXMOJ-UHFFFAOYSA-N 0 0 485.046 4.071 50 0 JIAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc4ccccc4c3)CC2)c1 ZINC000012921899 556140476 /nfs/dbraw/zinc/14/04/76/556140476.db2.gz WWCASJCWDJBCCV-SFHVURJKSA-N 0 0 464.587 4.321 50 0 JIAARN Cc1cc(-c2csc(NC(=O)c3ccc(CN4CCOCC4)cc3)n2)c(C)n1C[C@H]1CCCO1 ZINC000012922265 556140838 /nfs/dbraw/zinc/14/08/38/556140838.db2.gz JNJVMLSLLFZADH-JOCHJYFZSA-N 0 0 480.634 4.492 50 0 JIAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610837 556140873 /nfs/dbraw/zinc/14/08/73/556140873.db2.gz XMNOIXUSDGTFCQ-KRWDZBQOSA-N 0 0 492.041 4.049 50 0 JIAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCSCc2cccc(Cl)c2)CC1 ZINC000024611145 556140890 /nfs/dbraw/zinc/14/08/90/556140890.db2.gz GZTFRPDLLXTPCJ-UHFFFAOYSA-N 0 0 481.083 4.240 50 0 JIAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000024611470 556141262 /nfs/dbraw/zinc/14/12/62/556141262.db2.gz DFHFOOVKHHPRBZ-UHFFFAOYSA-N 0 0 465.413 4.246 50 0 JIAARN CCc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)cs2)cc1 ZINC000012923599 556142176 /nfs/dbraw/zinc/14/21/76/556142176.db2.gz IIRVBZVBFDCQKE-UHFFFAOYSA-N 0 0 476.023 4.173 50 0 JIAARN O=C(c1cccc2ccccc21)N1CCC[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)C1 ZINC000024622533 556142983 /nfs/dbraw/zinc/14/29/83/556142983.db2.gz TVUNSIMLMFWRKU-RUZDIDTESA-N 0 0 455.602 4.079 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012925084 556143290 /nfs/dbraw/zinc/14/32/90/556143290.db2.gz ZZPHOXBMXSAGRL-UHFFFAOYSA-N 0 0 492.801 4.018 50 0 JIAARN CCCN1C(=O)C(c2c(CC)[n-]n(-c3ccc(Cl)c(Cl)c3)c2=O)=C([n+]2cccc(C)c2)C1=O ZINC000016571033 556143817 /nfs/dbraw/zinc/14/38/17/556143817.db2.gz SLUDVJNJVFOESO-UHFFFAOYSA-O 0 0 486.379 4.190 50 0 JIAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012926769 556144920 /nfs/dbraw/zinc/14/49/20/556144920.db2.gz MOMGQIJHEOQJDN-UHFFFAOYSA-N 0 0 493.416 4.278 50 0 JIAARN COc1ccc(C(=O)N2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000024668794 556145125 /nfs/dbraw/zinc/14/51/25/556145125.db2.gz SMPHOSCMWKOICN-UHFFFAOYSA-N 0 0 487.600 4.393 50 0 JIAARN COc1ccc(NC(=O)CN(CCC(C)C)S(=O)(=O)c2cccc(Cl)c2)c(OC)c1 ZINC000012930252 556147348 /nfs/dbraw/zinc/14/73/48/556147348.db2.gz ZBFSKKJWHRBGEO-UHFFFAOYSA-N 0 0 454.976 4.033 50 0 JIAARN CCOC(=O)C1CCN(C(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000012930509 556147585 /nfs/dbraw/zinc/14/75/85/556147585.db2.gz JNGLBLSPPNTXIK-UHFFFAOYSA-N 0 0 478.467 4.138 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000024749778 556148772 /nfs/dbraw/zinc/14/87/72/556148772.db2.gz RYJYEQORCRIFMS-UHFFFAOYSA-N 0 0 474.529 4.188 50 0 JIAARN NS(=O)(=O)c1cc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cs1 ZINC000024751021 556149295 /nfs/dbraw/zinc/14/92/95/556149295.db2.gz GREJWNTVTHNWKX-MRXNPFEDSA-N 0 0 459.980 4.092 50 0 JIAARN O=C(CSc1ncnc2c3ccccc3oc21)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000024750856 556149487 /nfs/dbraw/zinc/14/94/87/556149487.db2.gz JJOMQDSYQARKLD-UHFFFAOYSA-N 0 0 474.523 4.434 50 0 JIAARN Cc1ccc(CNC(=O)c2ccccc2N[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000024760635 556151542 /nfs/dbraw/zinc/15/15/42/556151542.db2.gz VQMZCWNYNTVKSS-OAQYLSRUSA-N 0 0 472.589 4.201 50 0 JIAARN COc1cc(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c(OC)cc1Br ZINC000024763157 556152080 /nfs/dbraw/zinc/15/20/80/556152080.db2.gz NMQFOSUJJXWVIF-UHFFFAOYSA-N 0 0 476.367 4.332 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)cc1 ZINC000024762456 556152247 /nfs/dbraw/zinc/15/22/47/556152247.db2.gz PSRXHNFKBBAANZ-LJQANCHMSA-N 0 0 481.574 4.155 50 0 JIAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@]12c1ccccc1N(Cc1ccccc1)C2=O ZINC000016751232 556157276 /nfs/dbraw/zinc/15/72/76/556157276.db2.gz XLHNFQKAVMCSLN-MUUNZHRXSA-N 0 0 450.494 4.449 50 0 JIAARN COP(=O)(OC)c1nc(Cc2ccc(Cl)cc2)oc1NCc1ccc2c(c1)OCO2 ZINC000016751414 556157475 /nfs/dbraw/zinc/15/74/75/556157475.db2.gz KNKMTBBAWSEGDF-UHFFFAOYSA-N 0 0 450.815 4.371 50 0 JIAARN C[C@@H](Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C(=O)N(C)c1ccccc1 ZINC000024835900 556159070 /nfs/dbraw/zinc/15/90/70/556159070.db2.gz OLYCQQBXUAKGRR-GOSISDBHSA-N 0 0 481.574 4.112 50 0 JIAARN CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccccc2[S@](=O)CC)sc2c1CCCC2 ZINC000024941823 556164680 /nfs/dbraw/zinc/16/46/80/556164680.db2.gz FFRJPPQCEOXRMD-BYLKAPHFSA-N 0 0 477.604 4.115 50 0 JIAARN CCN(CC(=O)Nc1c(F)cccc1F)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000012974188 556166066 /nfs/dbraw/zinc/16/60/66/556166066.db2.gz FQGVLYMWUOHOAR-UHFFFAOYSA-N 0 0 454.502 4.390 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C[C@H]3C=CCC3)ccc2N2CCCC2)cc1 ZINC000024971999 556166274 /nfs/dbraw/zinc/16/62/74/556166274.db2.gz ZIJCGTNDNCBUGD-SFHVURJKSA-N 0 0 455.580 4.391 50 0 JIAARN O=C(NC1CCCCCCC1)c1sccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000016844702 556166468 /nfs/dbraw/zinc/16/64/68/556166468.db2.gz CMZPEGPLKRJMLK-UHFFFAOYSA-N 0 0 479.643 4.241 50 0 JIAARN COc1ccc(OCCN(C)S(=O)(=O)c2ccc(-c3ccc(NC(C)=O)cc3)cc2)cc1 ZINC000012974718 556166602 /nfs/dbraw/zinc/16/66/02/556166602.db2.gz OKRRAPWUCFYFLR-UHFFFAOYSA-N 0 0 454.548 4.020 50 0 JIAARN COc1ccccc1[C@@H]1[C@H](C(=O)Nc2ccc(-n3nccn3)nc2)CCC(=O)N1c1ccc(C)cc1 ZINC000024979307 556167704 /nfs/dbraw/zinc/16/77/04/556167704.db2.gz IKYZFBFMUCGUPC-ATIYNZHBSA-N 0 0 482.544 4.102 50 0 JIAARN COc1cc(OC)cc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccccc3)n2)c1 ZINC000016846404 556168464 /nfs/dbraw/zinc/16/84/64/556168464.db2.gz PJBXHASKKVJMQJ-UHFFFAOYSA-N 0 0 457.533 4.307 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccc(NC(C)=O)cc1)CC2 ZINC000012976139 556168781 /nfs/dbraw/zinc/16/87/81/556168781.db2.gz KKEXIDZUZWWVHN-MHZLTWQESA-N 0 0 459.546 4.248 50 0 JIAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000012976229 556169075 /nfs/dbraw/zinc/16/90/75/556169075.db2.gz WKKPPICWQJTCQU-KRWDZBQOSA-N 0 0 468.541 4.244 50 0 JIAARN CN(CC(=O)Nc1ccccc1Br)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000012977019 556169969 /nfs/dbraw/zinc/16/99/69/556169969.db2.gz SOHDDPZZTFAREW-UHFFFAOYSA-N 0 0 460.303 4.273 50 0 JIAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000024990364 556170651 /nfs/dbraw/zinc/17/06/51/556170651.db2.gz PJQUQGVOSHSWQG-UHFFFAOYSA-N 0 0 497.403 4.205 50 0 JIAARN CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000025023204 556172656 /nfs/dbraw/zinc/17/26/56/556172656.db2.gz PCUHYECMRAHCQY-HOIFWPIMSA-N 0 0 496.658 4.156 50 0 JIAARN O[C@H](c1ccccc1)C1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000012980049 556173025 /nfs/dbraw/zinc/17/30/25/556173025.db2.gz DXCDEBWGBFALFT-RUZDIDTESA-N 0 0 478.662 4.352 50 0 JIAARN CCOc1cc2ccccc2cc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000012980795 556173972 /nfs/dbraw/zinc/17/39/72/556173972.db2.gz JETUIILRNJHELM-UHFFFAOYSA-N 0 0 451.954 4.288 50 0 JIAARN COc1ccccc1OC[C@@H](O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000016902818 556174467 /nfs/dbraw/zinc/17/44/67/556174467.db2.gz JSKYVVYVVDLZGE-RXVVDRJESA-N 0 0 475.520 4.144 50 0 JIAARN O=C(CSc1ncccc1C(=O)OCc1noc(-c2cccs2)n1)Nc1ccc2c(c1)OCO2 ZINC000025054422 556175914 /nfs/dbraw/zinc/17/59/14/556175914.db2.gz ZBVINGGHGOKTJP-UHFFFAOYSA-N 0 0 496.526 4.010 50 0 JIAARN COc1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 ZINC000016903533 556176885 /nfs/dbraw/zinc/17/68/85/556176885.db2.gz WPAMNBVQNPYVAM-GHTZIAJQSA-N 0 0 475.520 4.144 50 0 JIAARN COCCc1ccc(-c2csc(NC(=O)Cn3cnc4sc(C)c(C)c4c3=O)n2)cc1 ZINC000012986526 556180611 /nfs/dbraw/zinc/18/06/11/556180611.db2.gz HEEWKUUXMLVITF-UHFFFAOYSA-N 0 0 454.577 4.026 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3cccs3)c3ccc(F)cc3)CC2)cc1 ZINC000012987393 556181779 /nfs/dbraw/zinc/18/17/79/556181779.db2.gz VJKRTVLGMNSKKJ-QHCPKHFHSA-N 0 0 488.606 4.202 50 0 JIAARN CCCCN1C(=O)C[C@@H](C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)[C@@H]1c1ccc(OC)cc1 ZINC000012991046 556183884 /nfs/dbraw/zinc/18/38/84/556183884.db2.gz YKEBBJKIFJEVIE-GCJKJVERSA-N 0 0 478.998 4.081 50 0 JIAARN CN(CC(=O)Nc1ccccc1Br)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000012992879 556185084 /nfs/dbraw/zinc/18/50/84/556185084.db2.gz PZQWWEATNRCFJI-INIZCTEOSA-N 0 0 482.787 4.003 50 0 JIAARN O=c1c2ccccc2nc(CN2CCOCC2)n1Cc1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC000012993711 556186309 /nfs/dbraw/zinc/18/63/09/556186309.db2.gz PUIUSJBFUBBSJY-UHFFFAOYSA-N 0 0 484.528 4.002 50 0 JIAARN Cc1ccc(-c2nnc([C@@H](C)OC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)o2)cc1 ZINC000012993768 556186314 /nfs/dbraw/zinc/18/63/14/556186314.db2.gz YVDKDXGPKBWCNW-MRXNPFEDSA-N 0 0 489.981 4.404 50 0 JIAARN COc1ccc(-c2noc(-c3c(N)n(CC(=O)Nc4cccc(Cl)c4)nc3SC)n2)cc1 ZINC000016954835 556186316 /nfs/dbraw/zinc/18/63/16/556186316.db2.gz YONNWXKMLKDQIR-UHFFFAOYSA-N 0 0 470.942 4.205 50 0 JIAARN Cc1ccc2nc(C)c(C(=O)N3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)cc2c1 ZINC000012995334 556187850 /nfs/dbraw/zinc/18/78/50/556187850.db2.gz RRVCTLGUWXRKAF-UHFFFAOYSA-N 0 0 477.508 4.017 50 0 JIAARN O=C(c1sccc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000012995885 556188696 /nfs/dbraw/zinc/18/86/96/556188696.db2.gz AUAHKOOWRAMZKM-UHFFFAOYSA-N 0 0 491.432 4.324 50 0 JIAARN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCc1cccs1 ZINC000012996853 556189358 /nfs/dbraw/zinc/18/93/58/556189358.db2.gz DLXVSLSOMORHTL-UHFFFAOYSA-N 0 0 459.376 4.155 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)c1 ZINC000016959946 556190228 /nfs/dbraw/zinc/19/02/28/556190228.db2.gz GSJAOLATIYYIPX-UHFFFAOYSA-N 0 0 476.602 4.296 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(c2ccccc2)c2ccccc2)c1 ZINC000016966922 556191769 /nfs/dbraw/zinc/19/17/69/556191769.db2.gz VAPGSBCRAJKFFW-UHFFFAOYSA-N 0 0 456.995 4.326 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cc3C)c12 ZINC000013002693 556195621 /nfs/dbraw/zinc/19/56/21/556195621.db2.gz XAXAEJOMGBBVMQ-MRXNPFEDSA-N 0 0 458.971 4.191 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c1 ZINC000016992040 556195882 /nfs/dbraw/zinc/19/58/82/556195882.db2.gz VPFRYRHJOSKCJN-UHFFFAOYSA-N 0 0 456.955 4.028 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 ZINC000016994256 556198653 /nfs/dbraw/zinc/19/86/53/556198653.db2.gz QGUPRMNKLOIIRO-HSZRJFAPSA-N 0 0 471.598 4.186 50 0 JIAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000013008962 556200404 /nfs/dbraw/zinc/20/04/04/556200404.db2.gz RVFAXUALLPZXDS-UHFFFAOYSA-N 0 0 477.417 4.128 50 0 JIAARN O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CC[N@H+](Cc4ccccc4)C[C@@H]32)C(=O)N1c1ccccc1 ZINC000017014999 556204232 /nfs/dbraw/zinc/20/42/32/556204232.db2.gz ZYWYQBSDNBYBAI-YWEHKCAJSA-N 0 0 466.541 4.043 50 0 JIAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC000025189169 556204765 /nfs/dbraw/zinc/20/47/65/556204765.db2.gz YICIPNNCAVKSGJ-UHFFFAOYSA-N 0 0 489.532 4.148 50 0 JIAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)c3cccc(Cl)c3)C2=O)cc1 ZINC000013014274 556205535 /nfs/dbraw/zinc/20/55/35/556205535.db2.gz PVOPRABBRVYXIP-UHFFFAOYSA-N 0 0 464.905 4.036 50 0 JIAARN CC(C)S(=O)(=O)c1ccccc1C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCCC1 ZINC000025311755 556208400 /nfs/dbraw/zinc/20/84/00/556208400.db2.gz XYUNAYKLHBFBOS-UHFFFAOYSA-N 0 0 452.617 4.216 50 0 JIAARN COc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3ccc(C(N)=O)cc3)sc2c1Cl ZINC000013016682 556208712 /nfs/dbraw/zinc/20/87/12/556208712.db2.gz DYHPZVCVSQSACF-UHFFFAOYSA-N 0 0 453.303 4.111 50 0 JIAARN Cc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000017042689 556209108 /nfs/dbraw/zinc/20/91/08/556209108.db2.gz PNFQXLZJPZTLRS-UHFFFAOYSA-N 0 0 457.987 4.001 50 0 JIAARN C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(SCc4cc(=O)n5ccsc5n4)c23)C1 ZINC000013017079 556209301 /nfs/dbraw/zinc/20/93/01/556209301.db2.gz FVALNJLOAHXNHG-AWEZNQCLSA-N 0 0 499.687 4.010 50 0 JIAARN COc1cccc(CN2c3ccccc3S(=O)(=O)N(c3cc(OC)cc(OC)c3)C2=O)c1 ZINC000017043431 556210119 /nfs/dbraw/zinc/21/01/19/556210119.db2.gz CLUAQXDECSJZMK-UHFFFAOYSA-N 0 0 454.504 4.048 50 0 JIAARN COc1ccccc1-c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)on1 ZINC000013021790 556211856 /nfs/dbraw/zinc/21/18/56/556211856.db2.gz GEQWPPQZKVTIPO-UHFFFAOYSA-N 0 0 482.389 4.164 50 0 JIAARN COc1ccc(CNC(=O)CN(CCC(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000025391132 556212099 /nfs/dbraw/zinc/21/20/99/556212099.db2.gz WZVXCYMBQGCYLM-UHFFFAOYSA-N 0 0 472.529 4.067 50 0 JIAARN Cc1ccc(Oc2ccccc2NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000013022695 556212184 /nfs/dbraw/zinc/21/21/84/556212184.db2.gz XWRZLORIDDVAJG-UHFFFAOYSA-N 0 0 482.558 4.256 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(C)cc3)cc(C(=O)NCCc3ccccc3)c12 ZINC000017051389 556212566 /nfs/dbraw/zinc/21/25/66/556212566.db2.gz YXZZAFOQGPNJDL-JOCHJYFZSA-N 0 0 488.613 4.047 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)cc1C ZINC000017053174 556214054 /nfs/dbraw/zinc/21/40/54/556214054.db2.gz LUXWJFDGCKPJAP-UHFFFAOYSA-N 0 0 462.618 4.307 50 0 JIAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1sc(NC(=O)c2ccco2)cc1C)CC3 ZINC000025454419 556216323 /nfs/dbraw/zinc/21/63/23/556216323.db2.gz DNAJDBUTZURKHY-UHFFFAOYSA-N 0 0 463.515 4.368 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)ccc2Cl)C[C@@H](C)O1 ZINC000025536132 556219374 /nfs/dbraw/zinc/21/93/74/556219374.db2.gz PJWRTHOEAGAAJI-ZOCZFRKYSA-N 0 0 480.989 4.254 50 0 JIAARN O=C(Nc1cnc2ccccc2c1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000025532106 556219427 /nfs/dbraw/zinc/21/94/27/556219427.db2.gz ZJLBVHPBBJTBSG-UHFFFAOYSA-N 0 0 463.481 4.293 50 0 JIAARN CCOC(=O)CNS(=O)(=O)c1cc(-c2nnc(Nc3cccc(C)c3)c3ccccc32)ccc1C ZINC000017123821 556220199 /nfs/dbraw/zinc/22/01/99/556220199.db2.gz VBZZFLGFTSEZIF-UHFFFAOYSA-N 0 0 490.585 4.499 50 0 JIAARN O=C(COc1ccccc1)N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000025559978 556221260 /nfs/dbraw/zinc/22/12/60/556221260.db2.gz UNXIUJXXIZVCSO-OAHLLOKOSA-N 0 0 457.162 4.005 50 0 JIAARN Cc1ccc(S(=O)(=O)NC[C@H](Sc2nnnn2-c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000013028301 556221996 /nfs/dbraw/zinc/22/19/96/556221996.db2.gz FZVQUCBSWBKSCX-NRFANRHFSA-N 0 0 486.022 4.436 50 0 JIAARN Cc1ccc(-c2cc(NC(=O)CSc3nnc([C@@H]4COc5ccccc5O4)n3C)on2)cc1 ZINC000013028737 556222766 /nfs/dbraw/zinc/22/27/66/556222766.db2.gz VUXCXZKZALZADJ-IBGZPJMESA-N 0 0 463.519 4.022 50 0 JIAARN CCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000013029153 556223637 /nfs/dbraw/zinc/22/36/37/556223637.db2.gz MMRPNEOQHZXDLC-UHFFFAOYSA-N 0 0 472.607 4.230 50 0 JIAARN Cc1ccc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc32)cc1S(=O)(=O)NCCO ZINC000017138086 556224113 /nfs/dbraw/zinc/22/41/13/556224113.db2.gz SVAZMLBWTCGEIQ-UHFFFAOYSA-N 0 0 468.966 4.273 50 0 JIAARN O=C(Cn1cnc2c(sc3cccc(F)c32)c1=O)Nc1ccc(Br)cc1F ZINC000017149821 556227461 /nfs/dbraw/zinc/22/74/61/556227461.db2.gz TZCVUMZKVZZGPO-UHFFFAOYSA-N 0 0 450.264 4.291 50 0 JIAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3ccc(F)c(NS(C)(=O)=O)c3)cc2)o1 ZINC000025670648 556229530 /nfs/dbraw/zinc/22/95/30/556229530.db2.gz DETGHWWXMXXAJV-UHFFFAOYSA-N 0 0 466.494 4.475 50 0 JIAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(Cl)ccc3C)CC2)cc1 ZINC000013031854 556229676 /nfs/dbraw/zinc/22/96/76/556229676.db2.gz LUUJNBHHLUIGKQ-QGZVFWFLSA-N 0 0 464.031 4.107 50 0 JIAARN CC(C)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000025691812 556229846 /nfs/dbraw/zinc/22/98/46/556229846.db2.gz XPYWFFWHGHZAHT-DHIUTWEWSA-N 0 0 452.551 4.062 50 0 JIAARN CCOc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(OCC)cc4)CC3)cs2)cc1 ZINC000013032030 556230234 /nfs/dbraw/zinc/23/02/34/556230234.db2.gz ZLCZVQGWFGAJKX-UHFFFAOYSA-N 0 0 487.647 4.114 50 0 JIAARN COc1ccc(C(=O)Nc2c(-c3ccccc3)nc3sccn32)cc1S(=O)(=O)N1CCCC1 ZINC000025739854 556231777 /nfs/dbraw/zinc/23/17/77/556231777.db2.gz IDHHJFQUBSADKP-UHFFFAOYSA-N 0 0 482.587 4.108 50 0 JIAARN CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000013037860 556233359 /nfs/dbraw/zinc/23/33/59/556233359.db2.gz LBZVVDMDOBDDDQ-UHFFFAOYSA-N 0 0 469.529 4.127 50 0 JIAARN O=C(OC[C@H]1OC=C[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000025782190 556234427 /nfs/dbraw/zinc/23/44/27/556234427.db2.gz OZFFEFRJEYIEGH-WXFUMESZSA-N 0 0 458.466 4.207 50 0 JIAARN CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1cc(C)cc(C)c1 ZINC000013038132 556235129 /nfs/dbraw/zinc/23/51/29/556235129.db2.gz MJPZBZXAJBWLOJ-UHFFFAOYSA-N 0 0 473.639 4.342 50 0 JIAARN Cc1sc2nc(-c3cccnc3)nc(N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)c2c1C ZINC000013038170 556235424 /nfs/dbraw/zinc/23/54/24/556235424.db2.gz IOGXNGQYRPIUFG-UHFFFAOYSA-N 0 0 493.658 4.498 50 0 JIAARN O=C(CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C1CC1)Nc1ccc2c(c1)OCCO2 ZINC000017191655 556237021 /nfs/dbraw/zinc/23/70/21/556237021.db2.gz NBBFMZFXSCKMPT-UHFFFAOYSA-N 0 0 474.542 4.229 50 0 JIAARN Cc1cccc(N2CCN([C@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)CC2)c1C ZINC000013038678 556237352 /nfs/dbraw/zinc/23/73/52/556237352.db2.gz OEVPFXVVUNJUBM-HXUWFJFHSA-N 0 0 490.570 4.308 50 0 JIAARN Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)CC2)c1C ZINC000013038679 556237358 /nfs/dbraw/zinc/23/73/58/556237358.db2.gz OEVPFXVVUNJUBM-FQEVSTJZSA-N 0 0 490.570 4.308 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000013038697 556237370 /nfs/dbraw/zinc/23/73/70/556237370.db2.gz CUXIVTJICXINER-UHFFFAOYSA-N 0 0 491.613 4.067 50 0 JIAARN COc1cc(C2SCCS2)ccc1OC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000025913762 556238682 /nfs/dbraw/zinc/23/86/82/556238682.db2.gz PUKKGNPJQAWACK-UHFFFAOYSA-N 0 0 465.618 4.105 50 0 JIAARN CCCCn1cnc2c1c(=O)n(CC(=O)Nc1ccc(-c3ccccc3)cc1)c(=O)n2CCCC ZINC000013039074 556238944 /nfs/dbraw/zinc/23/89/44/556238944.db2.gz FKCARUOHXOJVCW-UHFFFAOYSA-N 0 0 473.577 4.266 50 0 JIAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CCc1c(C)nc2c(C(N)=O)ncn2c1C ZINC000025990176 556239876 /nfs/dbraw/zinc/23/98/76/556239876.db2.gz IXBIGFDIOFONDZ-UHFFFAOYSA-N 0 0 485.588 4.005 50 0 JIAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000026075182 556240566 /nfs/dbraw/zinc/24/05/66/556240566.db2.gz NAKCQTZBEQUDPE-UHFFFAOYSA-N 0 0 481.530 4.121 50 0 JIAARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccncc2)n2nc(SCc3ccccc3F)nc2N1 ZINC000017243364 556244154 /nfs/dbraw/zinc/24/41/54/556244154.db2.gz UZDNFZGXYAROJN-OAQYLSRUSA-N 0 0 473.537 4.427 50 0 JIAARN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CC[C@@H]4CCCC[C@@H]4C3)c2c1C ZINC000013040951 556245447 /nfs/dbraw/zinc/24/54/47/556245447.db2.gz LHWQKASCLAWWMB-ZWKOTPCHSA-N 0 0 458.628 4.025 50 0 JIAARN CCCOc1c(Br)cc(C(=O)N(Cc2ccc(C(=O)NC)cc2)C2CC2)cc1OC ZINC000026115552 556246062 /nfs/dbraw/zinc/24/60/62/556246062.db2.gz VKOCPVTWXCCDHI-UHFFFAOYSA-N 0 0 475.383 4.411 50 0 JIAARN C[C@@H]1CN(C(=O)Cn2cc(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)c3ccccc32)C[C@@H](C)O1 ZINC000017246373 556246560 /nfs/dbraw/zinc/24/65/60/556246560.db2.gz NJKBNIVMJRVRIL-IAGOWNOFSA-N 0 0 494.535 4.270 50 0 JIAARN CCCn1nc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc3cc(OC)ccc3nc21 ZINC000017246900 556247194 /nfs/dbraw/zinc/24/71/94/556247194.db2.gz RIXVWPPUFIRXLZ-UHFFFAOYSA-N 0 0 450.495 4.281 50 0 JIAARN CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3CCCC[C@H]3C)cc1)n2CC ZINC000013043634 556249745 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O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000013137207 556367648 /nfs/dbraw/zinc/36/76/48/556367648.db2.gz CWUSRSASPRDNAM-UHFFFAOYSA-N 0 0 456.329 4.145 50 0 JIAARN Cc1cc(-c2ccc(OCC(=O)NCc3nccs3)c(CN3CCOCC3)c2)c2ccccc2n1 ZINC000019770303 556367770 /nfs/dbraw/zinc/36/77/70/556367770.db2.gz LNKCFSPGDSVZRL-UHFFFAOYSA-N 0 0 488.613 4.194 50 0 JIAARN CC(C)Oc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 ZINC000030751119 556370887 /nfs/dbraw/zinc/37/08/87/556370887.db2.gz SRMMQLDOLAHJKV-UHFFFAOYSA-N 0 0 450.988 4.232 50 0 JIAARN COc1ccc(OC)c(NC(=S)N[C@@H](NC(=O)c2ccc(C)cc2)C(Cl)(Cl)Cl)c1 ZINC000019800354 556377498 /nfs/dbraw/zinc/37/74/98/556377498.db2.gz NCIDACSWNFXXQU-QGZVFWFLSA-N 0 0 476.813 4.425 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(OC)c3)n2Cc2ccco2)cc1 ZINC000019810657 556381348 /nfs/dbraw/zinc/38/13/48/556381348.db2.gz AFVRWKPRAYRYMV-UHFFFAOYSA-N 0 0 450.520 4.334 50 0 JIAARN O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(C(F)(F)F)c1 ZINC000019817543 556383897 /nfs/dbraw/zinc/38/38/97/556383897.db2.gz ANCUXUFIDVLXJW-QFBILLFUSA-N 0 0 458.440 4.151 50 0 JIAARN Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(Br)cc2)c2cccnc2)ccc1F ZINC000019819031 556387407 /nfs/dbraw/zinc/38/74/07/556387407.db2.gz VHVJGTNLRVLWAY-FQEVSTJZSA-N 0 0 477.355 4.237 50 0 JIAARN COc1cc(CCNC(C)=O)c(NC(=O)C(=O)c2c3ccccc3n(C)c2-c2ccccc2)cc1OC ZINC000030947847 556389467 /nfs/dbraw/zinc/38/94/67/556389467.db2.gz SRDOGROYOQCQDH-UHFFFAOYSA-N 0 0 499.567 4.363 50 0 JIAARN O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000031000585 556390946 /nfs/dbraw/zinc/39/09/46/556390946.db2.gz LWXOJFSIFCXGSA-UHFFFAOYSA-N 0 0 479.627 4.334 50 0 JIAARN CCCCOCCCNC(=O)CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019823645 556394474 /nfs/dbraw/zinc/39/44/74/556394474.db2.gz LWCFSVVETZSBCV-UHFFFAOYSA-N 0 0 465.638 4.023 50 0 JIAARN CN(C)c1ccc([C@H](CNC(=O)C[C@@H](NC(N)=O)c2ccccc2F)c2c[nH]c3ccccc32)cc1 ZINC000032064331 556413031 /nfs/dbraw/zinc/41/30/31/556413031.db2.gz 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BTKHHRSABYTGSK-LJQANCHMSA-N 0 0 450.505 4.244 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000008708149 569594907 /nfs/dbraw/zinc/59/49/07/569594907.db2.gz OPDIXOWSOGNPEI-UHFFFAOYSA-N 0 0 455.502 4.198 50 0 JIAARN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000008709340 569595393 /nfs/dbraw/zinc/59/53/93/569595393.db2.gz DVHURUPOPRUBOW-UHFFFAOYSA-N 0 0 495.012 4.223 50 0 JIAARN O=C(CN[C@@H](c1ccco1)c1ccccc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000057290207 569595664 /nfs/dbraw/zinc/59/56/64/569595664.db2.gz WMMVNCHYGFGWQN-XMMPIXPASA-N 0 0 488.009 4.425 50 0 JIAARN C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000057289964 569595684 /nfs/dbraw/zinc/59/56/84/569595684.db2.gz GMVAYHSCRHEJGZ-INIZCTEOSA-N 0 0 462.989 4.219 50 0 JIAARN CC(=O)c1ccc(N2CCN(Cc3csc(CC(=O)Nc4ccc(C)cc4)n3)CC2)c(F)c1 ZINC000057296720 569596009 /nfs/dbraw/zinc/59/60/09/569596009.db2.gz QPBJOIQAIBJMSL-UHFFFAOYSA-N 0 0 466.582 4.297 50 0 JIAARN COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000008720281 569597949 /nfs/dbraw/zinc/59/79/49/569597949.db2.gz ZHKDWRBKHHQDHN-UHFFFAOYSA-N 0 0 493.629 4.412 50 0 JIAARN COc1cc(NC(=O)c2cccs2)c(C(=O)NCCCn2cnc3ccccc32)cc1OC ZINC000008721271 569598399 /nfs/dbraw/zinc/59/83/99/569598399.db2.gz OUHOSXXJGUIVJP-UHFFFAOYSA-N 0 0 464.547 4.187 50 0 JIAARN CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(N3CCCC3)n2Cc2ccco2)cc1 ZINC000008723875 569599468 /nfs/dbraw/zinc/59/94/68/569599468.db2.gz AFTNUVNNRQANFA-KRWDZBQOSA-N 0 0 467.595 4.478 50 0 JIAARN Cc1cc(C(=O)CN2CCC[C@H](c3nc4ccccc4s3)C2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000057373513 569599509 /nfs/dbraw/zinc/59/95/09/569599509.db2.gz QPEUUNHPAGHSDJ-RBUKOAKNSA-N 0 0 471.648 4.137 50 0 JIAARN C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008728179 569601279 /nfs/dbraw/zinc/60/12/79/569601279.db2.gz NFGBDMWECHEUQC-AWEZNQCLSA-N 0 0 489.395 4.455 50 0 JIAARN C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1)c1ccccc1 ZINC000008733742 569601667 /nfs/dbraw/zinc/60/16/67/569601667.db2.gz WXRKHSWEXGVBEM-GOSISDBHSA-N 0 0 463.559 4.105 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1NC(=O)Cn1nnc(-c2ccsc2)n1 ZINC000008733826 569601730 /nfs/dbraw/zinc/60/17/30/569601730.db2.gz WIQKGTWVLARHMW-UHFFFAOYSA-N 0 0 482.953 4.263 50 0 JIAARN CCOc1cc(C(=O)Nc2nc3ccccc3n2C(C)(C)C)ccc1OCC(=O)N1CCCCC1 ZINC000058028339 569601804 /nfs/dbraw/zinc/60/18/04/569601804.db2.gz BLTGEMCSRAZAME-UHFFFAOYSA-N 0 0 478.593 4.834 50 0 JIAARN COc1ccc(NC(=O)c2ccc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)cc2)cc1 ZINC000008734986 569601917 /nfs/dbraw/zinc/60/19/17/569601917.db2.gz IBIDNLRWSPRVPV-UHFFFAOYSA-N 0 0 463.559 4.500 50 0 JIAARN CCc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C4CCCCC4)CC3)cc2C(=O)[O-])cc1 ZINC000058058501 569601932 /nfs/dbraw/zinc/60/19/32/569601932.db2.gz PILJXKZCCQJEPA-UHFFFAOYSA-N 0 0 471.623 4.203 50 0 JIAARN CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)cc1 ZINC000008736051 569602063 /nfs/dbraw/zinc/60/20/63/569602063.db2.gz VSWDNXOMJHTCPK-VWLOTQADSA-N 0 0 450.604 4.272 50 0 JIAARN COc1ccc(CCN(C(=O)c2ccc(Cl)cc2)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000059490867 569606024 /nfs/dbraw/zinc/60/60/24/569606024.db2.gz DGCKHROGCMDRFJ-XMMPIXPASA-N 0 0 492.959 4.374 50 0 JIAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1C ZINC000032975585 569606106 /nfs/dbraw/zinc/60/61/06/569606106.db2.gz UPLRMZVWYAGWAT-RTBURBONSA-N 0 0 460.983 4.433 50 0 JIAARN COc1cc(NC(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cc(OC)c1OC ZINC000032975191 569606127 /nfs/dbraw/zinc/60/61/27/569606127.db2.gz VYYRVIPOERAXFL-UHFFFAOYSA-N 0 0 456.474 4.313 50 0 JIAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000032975546 569606179 /nfs/dbraw/zinc/60/61/79/569606179.db2.gz ROHJTJDEDSGAEX-OALUTQOASA-N 0 0 480.508 4.490 50 0 JIAARN COCCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(OC)cc1 ZINC000032977740 569606453 /nfs/dbraw/zinc/60/64/53/569606453.db2.gz UGFMPKMSBKZGFK-VWLOTQADSA-N 0 0 471.561 4.241 50 0 JIAARN CC[C@@H](NC(=O)CSc1nc2ccccc2n1CC)c1ccccc1OCC(=O)N1CCCC1 ZINC000059776970 569607687 /nfs/dbraw/zinc/60/76/87/569607687.db2.gz GQJAJVGKHXGEFF-HXUWFJFHSA-N 0 0 480.634 4.417 50 0 JIAARN CCc1c(C(=O)N2CCN(C(=O)Nc3cccc(C)c3)CC2)cnn1-c1cccc(Cl)c1 ZINC000060369084 569608955 /nfs/dbraw/zinc/60/89/55/569608955.db2.gz YCJOQEJNTFBWPQ-UHFFFAOYSA-N 0 0 451.958 4.386 50 0 JIAARN CC(=O)Oc1ccc(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)cc2)cc1 ZINC000060390009 569608967 /nfs/dbraw/zinc/60/89/67/569608967.db2.gz BESJNGUVMJRCAY-UHFFFAOYSA-N 0 0 452.532 4.218 50 0 JIAARN COC(=O)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000032986961 569609144 /nfs/dbraw/zinc/60/91/44/569609144.db2.gz DLDUUCSSUWIDPK-JOCHJYFZSA-N 0 0 456.951 4.484 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)c1cc(=O)c(OCc3cccc(Cl)c3)c[nH]1)CC2 ZINC000061721239 569609311 /nfs/dbraw/zinc/60/93/11/569609311.db2.gz XGGJVSZPUKULTH-UHFFFAOYSA-N 0 0 454.910 4.235 50 0 JIAARN CSc1ccc(CNC(=O)CSCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000032987281 569609368 /nfs/dbraw/zinc/60/93/68/569609368.db2.gz ADJAZQVRHCBEEJ-UHFFFAOYSA-N 0 0 462.597 4.201 50 0 JIAARN COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(c2cccc(C)c2)[C@@H](C)C1 ZINC000061943429 569609470 /nfs/dbraw/zinc/60/94/70/569609470.db2.gz NFKKQRXPRCWNGP-INIZCTEOSA-N 0 0 454.958 4.066 50 0 JIAARN COc1ccc(NC(=O)c2nnc(CCCC(=O)N[C@H](C)CCc3ccccc3)s2)cc1 ZINC000032987798 569609689 /nfs/dbraw/zinc/60/96/89/569609689.db2.gz VAHDJSPWGGFZLI-QGZVFWFLSA-N 0 0 452.580 4.259 50 0 JIAARN CCCSc1ncc(Cl)c(C(=O)N[C@@H](CCSC)C(=O)Nc2ccccc2OC)n1 ZINC000061997044 569609891 /nfs/dbraw/zinc/60/98/91/569609891.db2.gz VSXZBFZLPFFRFF-HNNXBMFYSA-N 0 0 469.032 4.131 50 0 JIAARN C[C@@H](NC(=O)CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)c1ccc2c(c1)OCCO2 ZINC000032995247 569610151 /nfs/dbraw/zinc/61/01/51/569610151.db2.gz YZJITYABEFJXJX-CQSZACIVSA-N 0 0 486.981 4.415 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)c1cc(=O)c(OCc3ccccc3Cl)c[nH]1)CC2 ZINC000062001510 569610148 /nfs/dbraw/zinc/61/01/48/569610148.db2.gz VJMYFBDYIZWPQJ-UHFFFAOYSA-N 0 0 454.910 4.235 50 0 biogenic JIAARN COc1ccccc1CNC(=O)CC/C(C)=C/Cc1c(OC)c2c(c(C)c1OC)COC2=O ZINC000062001659 569610193 /nfs/dbraw/zinc/61/01/93/569610193.db2.gz OGPHBJLOLIRLJM-MHWRWJLKSA-N 0 0 453.535 4.277 50 0 biogenic JIAARN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000061999525 569610195 /nfs/dbraw/zinc/61/01/95/569610195.db2.gz XAGINJXUFIXMMP-PGKMIFDNSA-N 0 0 490.785 4.382 50 0 biogenic JIAARN Cc1ccccc1NC(=O)c1nnc(CCCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)s1 ZINC000032995396 569610292 /nfs/dbraw/zinc/61/02/92/569610292.db2.gz NCMBEZDTRRSUKU-MRXNPFEDSA-N 0 0 466.563 4.070 50 0 JIAARN C[C@H](C(=O)NC1CC1)N1CCN(c2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)CC1 ZINC000062271410 569610482 /nfs/dbraw/zinc/61/04/82/569610482.db2.gz RXIWIWSZCXMZMC-QGZVFWFLSA-N 0 0 493.702 4.261 50 0 JIAARN Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c2ncnc3N)nc2cccc(C)c2c1=O ZINC000062260316 569610503 /nfs/dbraw/zinc/61/05/03/569610503.db2.gz WFSLJOPRIJSOJR-UHFFFAOYSA-N 0 0 489.539 4.145 50 0 in-vitro JIAARN COc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCCc4ccccc4)cc3)n2)cc1 ZINC000032998857 569613062 /nfs/dbraw/zinc/61/30/62/569613062.db2.gz PERLNJJQEGEAHN-UHFFFAOYSA-N 0 0 457.555 4.365 50 0 biogenic JIAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1CN1CCC[C@@H]1C(N)=O ZINC000062626383 569613733 /nfs/dbraw/zinc/61/37/33/569613733.db2.gz HKMWDOLBEVBOMT-HXUWFJFHSA-N 0 0 485.009 4.386 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CNC(c1ccccc1)c1ccccc1 ZINC000062678880 569614177 /nfs/dbraw/zinc/61/41/77/569614177.db2.gz ZYLNCHROGJQINO-UHFFFAOYSA-N 0 0 479.602 4.253 50 0 JIAARN O=C(CSc1nnc(C(=O)Nc2cccc(Cl)c2)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033011885 569617300 /nfs/dbraw/zinc/61/73/00/569617300.db2.gz OJDWSJLJIDWYAI-UHFFFAOYSA-N 0 0 492.001 4.024 50 0 JIAARN CCCNC(=O)CN1CCN(c2nn3c(nc(-c4ccc(CC)cc4)c3NC3CCCC3)s2)CC1 ZINC000064451942 569617649 /nfs/dbraw/zinc/61/76/49/569617649.db2.gz BTTQZROLLXFEBX-UHFFFAOYSA-N 0 0 495.697 4.023 50 0 JIAARN CC[C@@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(Cl)cc4F)CC3)ccc21 ZINC000033023209 569619553 /nfs/dbraw/zinc/61/95/53/569619553.db2.gz OAXZKOPMNGDMGP-CQSZACIVSA-N 0 0 493.992 4.234 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000064567458 569619813 /nfs/dbraw/zinc/61/98/13/569619813.db2.gz FSCAZHOHYGLCSK-UHFFFAOYSA-N 0 0 488.979 4.156 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([C@H](C)C(=O)NCc3ccc(OC(C)C)cc3)CC2)c1C ZINC000033024257 569619899 /nfs/dbraw/zinc/61/98/99/569619899.db2.gz CQWFQNQLHDXUHS-SFHVURJKSA-N 0 0 497.636 4.400 50 0 JIAARN COC(=O)c1ccc(Cl)cc1NC(=O)NCCc1nc2cccnc2n1Cc1ccccc1 ZINC000033025434 569620725 /nfs/dbraw/zinc/62/07/25/569620725.db2.gz NZQWSMZHOSXWKG-UHFFFAOYSA-N 0 0 463.925 4.284 50 0 JIAARN Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3Cl)c3nc(C)ccc3c2=O)c(C)c1 ZINC000064591257 569621897 /nfs/dbraw/zinc/62/18/97/569621897.db2.gz MBASYJKMAPMRFU-UHFFFAOYSA-N 0 0 495.988 4.447 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CSc1nccc(N2CCN(c3ccccc3)CC2)n1 ZINC000033309884 569622668 /nfs/dbraw/zinc/62/26/68/569622668.db2.gz GETLDSGVOGPLGO-UHFFFAOYSA-N 0 0 469.998 4.196 50 0 JIAARN Cc1ccc(NC(=O)CSc2nccc(N3CCN(c4ccccc4)CC3)n2)c(Cl)c1 ZINC000033309881 569622676 /nfs/dbraw/zinc/62/26/76/569622676.db2.gz USNRRWHKVDOFCN-UHFFFAOYSA-N 0 0 453.999 4.496 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3cc(Sc4cccc(F)c4)ncn3)CC2)c(OC)c1 ZINC000033312136 569623156 /nfs/dbraw/zinc/62/31/56/569623156.db2.gz ZMRSCYGGCIKHKR-UHFFFAOYSA-N 0 0 482.581 4.317 50 0 JIAARN Cc1ccc(-c2nc3n(n2)c(=O)c(Cc2ccccc2)c(C)n3CC(=O)NCc2ccccc2)cc1 ZINC000033324770 569623486 /nfs/dbraw/zinc/62/34/86/569623486.db2.gz LBCADIBOSYQOFJ-UHFFFAOYSA-N 0 0 477.568 4.082 50 0 JIAARN Cc1nsc2ncc(C(=O)N3CCCC3)c(N3CCC(C(=O)NCc4cccc(Cl)c4)CC3)c12 ZINC000064612336 569623495 /nfs/dbraw/zinc/62/34/95/569623495.db2.gz XKWZAEWPRFJROJ-UHFFFAOYSA-N 0 0 498.052 4.422 50 0 JIAARN COc1cccc(NC(=O)Cn2c3nc(-c4ccc(C)cc4)nn3c(=O)c(Cc3ccccc3)c2C)c1 ZINC000033324771 569623620 /nfs/dbraw/zinc/62/36/20/569623620.db2.gz IZJFRXCRFRPSQM-UHFFFAOYSA-N 0 0 493.567 4.413 50 0 JIAARN O=C(Nc1cccc(Br)c1)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000064665395 569623762 /nfs/dbraw/zinc/62/37/62/569623762.db2.gz HSTCLFVOKWQKPD-UHFFFAOYSA-N 0 0 457.303 4.083 50 0 JIAARN COc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1Cl ZINC000033325841 569623869 /nfs/dbraw/zinc/62/38/69/569623869.db2.gz IVAPOANDAUBZAW-GOSISDBHSA-N 0 0 473.982 4.441 50 0 JIAARN CCCCn1c(SCC(=O)NCc2cccc(OC)c2)nc2c3cccnc3sc2c1=O ZINC000064699768 569624040 /nfs/dbraw/zinc/62/40/40/569624040.db2.gz IVGWBQUUBAFILF-UHFFFAOYSA-N 0 0 468.604 4.223 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc(F)cc1)CC2 ZINC000033331769 569624450 /nfs/dbraw/zinc/62/44/50/569624450.db2.gz WBEMPVIWSKEFJX-UHFFFAOYSA-N 0 0 488.972 4.272 50 0 JIAARN O=C(c1ccco1)N1CCN(c2nn3c(nc(-c4ccccc4)c3NC3CCCC3)s2)CC1 ZINC000064746180 569625461 /nfs/dbraw/zinc/62/54/61/569625461.db2.gz FNGWBCDEIQUCQB-UHFFFAOYSA-N 0 0 462.579 4.368 50 0 JIAARN 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ZINC000065318985 569673421 /nfs/dbraw/zinc/67/34/21/569673421.db2.gz IGRLSVSRRKAUFC-UHFFFAOYSA-N 0 0 493.545 4.127 50 0 JIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C2CC2)S(=O)(=O)c2ccccc2)o1 ZINC000035058908 569674143 /nfs/dbraw/zinc/67/41/43/569674143.db2.gz XAQKMHWLWFAKDC-UHFFFAOYSA-N 0 0 452.576 4.013 50 0 JIAARN CC(C)n1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1ccccc1Cl ZINC000065319953 569674309 /nfs/dbraw/zinc/67/43/09/569674309.db2.gz ZJXAJMMUXQITCK-UHFFFAOYSA-N 0 0 464.016 4.418 50 0 JIAARN CCOCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)C(C)C ZINC000035131617 569675590 /nfs/dbraw/zinc/67/55/90/569675590.db2.gz QLVSAUUYXNUGRG-UHFFFAOYSA-N 0 0 488.625 4.088 50 0 JIAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1nnc(NC2CCCCC2)s1 ZINC000035153274 569676318 /nfs/dbraw/zinc/67/63/18/569676318.db2.gz ZFHBYUIIXZNFFL-UHFFFAOYSA-N 0 0 482.075 4.193 50 0 JIAARN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000035165671 569677131 /nfs/dbraw/zinc/67/71/31/569677131.db2.gz 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COc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2C)cc1 ZINC000067217244 569679394 /nfs/dbraw/zinc/67/93/94/569679394.db2.gz VLBRUUAYPNZDRN-UHFFFAOYSA-N 0 0 465.600 4.481 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(F)cc1C ZINC000067217409 569679480 /nfs/dbraw/zinc/67/94/80/569679480.db2.gz GPMULAFFFLURGA-UHFFFAOYSA-N 0 0 483.546 4.412 50 0 JIAARN O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000035300770 569679857 /nfs/dbraw/zinc/67/98/57/569679857.db2.gz PCUISXIPRCDEFS-UHFFFAOYSA-N 0 0 474.424 4.093 50 0 JIAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(C(F)(F)F)c3)c2=O)cc1C ZINC000067217987 569679895 /nfs/dbraw/zinc/67/98/95/569679895.db2.gz GYLOWDZTKBTQBA-UHFFFAOYSA-N 0 0 473.476 4.488 50 0 JIAARN O=C(Cn1c2ccsc2c(=O)n(CCc2cccs2)c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000067218654 569680225 /nfs/dbraw/zinc/68/02/25/569680225.db2.gz LFSGVCDOQCQFJN-UHFFFAOYSA-N 0 0 479.505 4.186 50 0 JIAARN Cc1cccc(NC(=O)Cn2nc3c(-c4nc(-c5cccc(Cl)c5)no4)cccn3c2=O)c1C ZINC000067219432 569680729 /nfs/dbraw/zinc/68/07/29/569680729.db2.gz YIMBXLSWKXIFKA-UHFFFAOYSA-N 0 0 474.908 4.122 50 0 JIAARN Cc1cc2nc(SCC(=O)NCc3ccc(F)c(Cl)c3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067237560 569681528 /nfs/dbraw/zinc/68/15/28/569681528.db2.gz GNDKQGWLUNFKBY-UHFFFAOYSA-N 0 0 474.920 4.362 50 0 JIAARN Cc1cc2nc(SCC(=O)NCCc3ccc(Cl)cc3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067237457 569681612 /nfs/dbraw/zinc/68/16/12/569681612.db2.gz DJTZXDWZOHTUCR-UHFFFAOYSA-N 0 0 470.957 4.266 50 0 JIAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000067238985 569681695 /nfs/dbraw/zinc/68/16/95/569681695.db2.gz WOEJRQAABKQTBT-LBPRGKRZSA-N 0 0 464.975 4.405 50 0 JIAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCN(c2cccc(OC)c2)[C@H](C)C1 ZINC000035369247 569682707 /nfs/dbraw/zinc/68/27/07/569682707.db2.gz SABMLPUCQMUYOZ-IAGOWNOFSA-N 0 0 482.556 4.030 50 0 JIAARN CCOc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccc(Br)cc4)ccn3n2)cc1 ZINC000067261210 569682800 /nfs/dbraw/zinc/68/28/00/569682800.db2.gz BKBXSXFSSVXRQR-UHFFFAOYSA-N 0 0 495.377 4.031 50 0 JIAARN CCOc1ccccc1CNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc21 ZINC000067261316 569682819 /nfs/dbraw/zinc/68/28/19/569682819.db2.gz HWBOYTLLUVYXIW-UHFFFAOYSA-N 0 0 459.531 4.121 50 0 JIAARN CSc1ccc(CNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc32)cc1 ZINC000067261327 569682919 /nfs/dbraw/zinc/68/29/19/569682919.db2.gz SJDKLBBNTZIVNO-UHFFFAOYSA-N 0 0 461.572 4.444 50 0 JIAARN COc1ccc([C@H](C)Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)cc1 ZINC000067261367 569682946 /nfs/dbraw/zinc/68/29/46/569682946.db2.gz UVOJIXDIDPRXIU-INIZCTEOSA-N 0 0 459.531 4.292 50 0 JIAARN O=C(COc1ccc(F)cc1)Nc1cccc(OCc2cc(=O)n3c(n2)sc2c3CCCC2)c1 ZINC000035372134 569682949 /nfs/dbraw/zinc/68/29/49/569682949.db2.gz FWNZCYXCRTZVDL-UHFFFAOYSA-N 0 0 479.533 4.370 50 0 JIAARN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000035375840 569684737 /nfs/dbraw/zinc/68/47/37/569684737.db2.gz FOHRUHOXLVDCNA-LJQANCHMSA-N 0 0 456.930 4.144 50 0 JIAARN O=C(c1cnc2ccc(Cl)cc2c1N1CCN(c2ccc(Cl)cc2)CC1)N1CCOCC1 ZINC000067288092 569684776 /nfs/dbraw/zinc/68/47/76/569684776.db2.gz WBUNQNCXZARCRJ-UHFFFAOYSA-N 0 0 471.388 4.341 50 0 JIAARN O=C(c1cnc2ccc(F)cc2c1N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCCCC1 ZINC000067288139 569684794 /nfs/dbraw/zinc/68/47/94/569684794.db2.gz CJAHFVJIXMSSJR-UHFFFAOYSA-N 0 0 476.552 4.051 50 0 JIAARN CCCCOc1ccc(-c2cc3c4nn(CC(=O)N(CC)c5cccc(C)c5)c(=O)n4ccn3n2)cc1 ZINC000067290636 569685213 /nfs/dbraw/zinc/68/52/13/569685213.db2.gz SXGDXZYKUBLTBJ-UHFFFAOYSA-N 0 0 498.587 4.351 50 0 JIAARN Cc1cc2nc(COc3cc(Cl)ccc3NC(=O)COc3cccc(C)c3C)cc(=O)n2o1 ZINC000035378632 569685995 /nfs/dbraw/zinc/68/59/95/569685995.db2.gz SJFGXAVJUSOHPY-UHFFFAOYSA-N 0 0 467.909 4.463 50 0 JIAARN Cc1ccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\c2ccc(C(N)=O)cc2)nc1 ZINC000067294805 569686264 /nfs/dbraw/zinc/68/62/64/569686264.db2.gz JWBPDRCOXPTCQM-VYIQYICTSA-N 0 0 477.318 4.482 50 0 JIAARN Cc1c(C(=O)Nc2ccccc2Cl)nnn1CC(=O)Nc1ccc(Br)cc1F ZINC000067323258 569687428 /nfs/dbraw/zinc/68/74/28/569687428.db2.gz DHRGFLGCHAEKFC-UHFFFAOYSA-N 0 0 466.698 4.033 50 0 JIAARN COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1N ZINC000067336234 569687646 /nfs/dbraw/zinc/68/76/46/569687646.db2.gz KDNSXOZUOKJJNB-UHFFFAOYSA-N 0 0 472.998 4.013 50 0 JIAARN O=C(CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000067336780 569687794 /nfs/dbraw/zinc/68/77/94/569687794.db2.gz KHNBMSLOWTWRLI-UHFFFAOYSA-N 0 0 460.465 4.174 50 0 JIAARN O=C(Cn1c2ccsc2c(=O)n(-c2cc(F)cc(F)c2)c1=O)Nc1ccccc1C(F)(F)F ZINC000067673738 569689190 /nfs/dbraw/zinc/68/91/90/569689190.db2.gz NKHHPCLKANPFIG-UHFFFAOYSA-N 0 0 481.402 4.150 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCCCCC2)cc1F ZINC000035399158 569689643 /nfs/dbraw/zinc/68/96/43/569689643.db2.gz DJDPTOLEZVKVCC-UHFFFAOYSA-N 0 0 487.597 4.007 50 0 JIAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC2(CC1)Nc1cc(C)ccc1-n1cccc12 ZINC000035399289 569689645 /nfs/dbraw/zinc/68/96/45/569689645.db2.gz YKSRBSKRGWBHDZ-UHFFFAOYSA-N 0 0 464.591 4.158 50 0 biogenic JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)cc1 ZINC000067689775 569690285 /nfs/dbraw/zinc/69/02/85/569690285.db2.gz KCTFXYWIONZXDL-UHFFFAOYSA-N 0 0 482.562 4.335 50 0 JIAARN O=C(CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000035404525 569691542 /nfs/dbraw/zinc/69/15/42/569691542.db2.gz ZMHFPUYCPBCLQG-UHFFFAOYSA-N 0 0 458.459 4.436 50 0 JIAARN Cc1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCC4)cs3)CC2)c1 ZINC000035424409 569693138 /nfs/dbraw/zinc/69/31/38/569693138.db2.gz GSAYBISHVFVQSE-UHFFFAOYSA-N 0 0 489.663 4.030 50 0 JIAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3nc4cccnc4s3)CC2)cc1 ZINC000069457108 569693162 /nfs/dbraw/zinc/69/31/62/569693162.db2.gz KVLFDKVEEWAXJB-QFIPXVFZSA-N 0 0 459.575 4.202 50 0 JIAARN COc1cccc([C@@H](CNC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)N(C)C)c1 ZINC000069531641 569693278 /nfs/dbraw/zinc/69/32/78/569693278.db2.gz FNHRCBJDDFQDPX-OAQYLSRUSA-N 0 0 488.510 4.118 50 0 JIAARN Cc1ccc2nc(COc3cccc(C(=O)N4CCN(C(=O)c5ccc(Cl)cc5)CC4)c3)cn2c1 ZINC000069558930 569693305 /nfs/dbraw/zinc/69/33/05/569693305.db2.gz PXDDYZWKFZTDRR-UHFFFAOYSA-N 0 0 488.975 4.473 50 0 JIAARN CCc1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)Nc4cc(F)ccc4C)nc23)cc1 ZINC000035424946 569693315 /nfs/dbraw/zinc/69/33/15/569693315.db2.gz OCZQLUKUDFMYIX-UHFFFAOYSA-N 0 0 471.492 4.485 50 0 JIAARN CCOc1ccc(NC(=O)Cn2nc3c(Oc4ccc(CC)cc4)nc4ccccc4n3c2=O)cc1 ZINC000035424895 569693346 /nfs/dbraw/zinc/69/33/46/569693346.db2.gz LOVAERLOHJNOMY-UHFFFAOYSA-N 0 0 483.528 4.436 50 0 JIAARN CCOC(=O)c1cnn(-c2ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc2)c1C(F)(F)F ZINC000069592470 569693367 /nfs/dbraw/zinc/69/33/67/569693367.db2.gz NHBNPWYQGWQZAN-UHFFFAOYSA-N 0 0 484.475 4.311 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O ZINC000035425118 569693466 /nfs/dbraw/zinc/69/34/66/569693466.db2.gz KUIRZOOTNQTGJO-UHFFFAOYSA-N 0 0 459.893 4.437 50 0 JIAARN COc1ccc(NC(=O)CNC(=O)Cc2cccc3ccccc32)cc1OCc1ccncc1 ZINC000069946268 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COc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000089459680 569718490 /nfs/dbraw/zinc/71/84/90/569718490.db2.gz VDKKXMZGNQUTBD-UHFFFAOYSA-N 0 0 474.922 4.173 50 0 JIAARN COc1cccc(CNC(=O)CSc2nc3ccccc3c3nc(-c4cccs4)nn32)c1 ZINC000089470052 569718596 /nfs/dbraw/zinc/71/85/96/569718596.db2.gz IHLNWLRMWRMCHI-UHFFFAOYSA-N 0 0 461.572 4.423 50 0 JIAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)c1ccc(F)cc1 ZINC000089598289 569718926 /nfs/dbraw/zinc/71/89/26/569718926.db2.gz QEJDMCKYARGXCZ-KRWDZBQOSA-N 0 0 467.518 4.001 50 0 JIAARN COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@@H]1[C@H](C(=O)Nc1ccc(OC)c(OC)c1)C2 ZINC000035871725 569718909 /nfs/dbraw/zinc/71/89/09/569718909.db2.gz AQRDZFIDBQJTNO-ILBGXUMGSA-N 0 0 473.573 4.219 50 0 JIAARN C[C@H](NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cnccn3)C[C@H]12)c1ccccc1 ZINC000035871618 569718932 /nfs/dbraw/zinc/71/89/32/569718932.db2.gz CXVKYSRTTJXPOB-AMHTUMDSSA-N 0 0 481.522 4.240 50 0 JIAARN COc1cc(C(=O)OCC(=O)c2ccc(C)cc2C)cc(CN2C(=O)c3ccccc3C2=O)c1OC ZINC000089612072 569719147 /nfs/dbraw/zinc/71/91/47/569719147.db2.gz KKLVCKWJHHMPMR-UHFFFAOYSA-N 0 0 487.508 4.157 50 0 JIAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000089781099 569719755 /nfs/dbraw/zinc/71/97/55/569719755.db2.gz NTAZLNOOWNEXSF-UHFFFAOYSA-N 0 0 455.576 4.170 50 0 JIAARN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1F)Nc1ccc2c(c1)CCC2 ZINC000089814060 569719995 /nfs/dbraw/zinc/71/99/95/569719995.db2.gz VYSBAEMIASJTTK-UHFFFAOYSA-N 0 0 456.514 4.283 50 0 JIAARN COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)CN(CCc2ccccc2OC)C(=O)[C@H](C)O3)c1 ZINC000035884848 569720280 /nfs/dbraw/zinc/72/02/80/569720280.db2.gz CACHPODFBJLAEZ-SFHVURJKSA-N 0 0 490.556 4.317 50 0 JIAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000089942376 569720588 /nfs/dbraw/zinc/72/05/88/569720588.db2.gz OZBNHGXPJFBWIR-MSOLQXFVSA-N 0 0 464.031 4.187 50 0 JIAARN CCOC(=O)C1=C(CN2CC=C(c3c[nH]c4ccccc43)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000089978312 569720740 /nfs/dbraw/zinc/72/07/40/569720740.db2.gz UXRACQRELFXYTJ-SANMLTNESA-N 0 0 486.572 4.137 50 0 JIAARN C[C@H]1Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CN(Cc2ccccc2Cl)C1=O ZINC000035887140 569720891 /nfs/dbraw/zinc/72/08/91/569720891.db2.gz DUQZCPLDDJXEJB-MRXNPFEDSA-N 0 0 456.951 4.451 50 0 JIAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)nn2)nc1 ZINC000091402384 569721239 /nfs/dbraw/zinc/72/12/39/569721239.db2.gz USRJGUKSZKNQJF-UHFFFAOYSA-N 0 0 464.573 4.404 50 0 JIAARN COc1ccc(-c2nc(CC(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)cs2)cc1OC ZINC000095369522 569722955 /nfs/dbraw/zinc/72/29/55/569722955.db2.gz WUAKXIHMEWCAHY-INIZCTEOSA-N 0 0 455.555 4.152 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)Cc3ccc(F)cc3)CC2)n1 ZINC000035908661 569724307 /nfs/dbraw/zinc/72/43/07/569724307.db2.gz VLNURWBQIPVTPD-UHFFFAOYSA-N 0 0 486.595 4.497 50 0 JIAARN COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)CN(CCc1ccc(F)cc1)C(=O)CO2 ZINC000035909453 569724719 /nfs/dbraw/zinc/72/47/19/569724719.db2.gz QSPXOEPDFGFFMA-UHFFFAOYSA-N 0 0 464.493 4.059 50 0 JIAARN CCc1cccc2c([C@@H](CC(=O)NCCCN3CCOCC3)c3ccc(F)cc3F)c[nH]c21 ZINC000035910565 569725783 /nfs/dbraw/zinc/72/57/83/569725783.db2.gz HLVMGRVMFGTOTD-QFIPXVFZSA-N 0 0 455.549 4.369 50 0 JIAARN CCc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)NCc4ccco4)n3c2=O)cc1C ZINC000035911797 569726937 /nfs/dbraw/zinc/72/69/37/569726937.db2.gz MVPPPXCAJDACPP-UHFFFAOYSA-N 0 0 487.585 4.240 50 0 JIAARN COc1cccc(Cc2c(C)nc(C3CC3)nc2N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000095545929 569727068 /nfs/dbraw/zinc/72/70/68/569727068.db2.gz MOLZZWGCRCGOIQ-UHFFFAOYSA-N 0 0 460.553 4.363 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCN(C(=O)Cc4cccs4)CC3)c12 ZINC000035912645 569727731 /nfs/dbraw/zinc/72/77/31/569727731.db2.gz IHDNQDNFBOEJOU-UHFFFAOYSA-N 0 0 474.634 4.275 50 0 JIAARN COc1cc(C2=NC(=Cc3ccc(OCC(=O)c4ccccc4)cc3)C(=O)O2)cc(OC)c1OC ZINC000095608984 569728011 /nfs/dbraw/zinc/72/80/11/569728011.db2.gz UUTCSBBYVOCVFT-BKUYFWCQSA-N 0 0 473.481 4.319 50 0 JIAARN CCC[C@@H](Oc1cccn2c(=O)c(-c3cc(C)n(-c4ccccc4)n3)c(C)nc12)C(=O)OCC ZINC000035924579 569728038 /nfs/dbraw/zinc/72/80/38/569728038.db2.gz VNVZFWAJEHSFRW-JOCHJYFZSA-N 0 0 460.534 4.275 50 0 JIAARN CCn1c(-c2cc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)n[nH]2)cc2cc(OC)ccc21 ZINC000095614189 569728277 /nfs/dbraw/zinc/72/82/77/569728277.db2.gz GSPBARRUVAHEPH-UHFFFAOYSA-N 0 0 464.522 4.267 50 0 JIAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3ccccc3F)CC2)n1 ZINC000035925561 569728874 /nfs/dbraw/zinc/72/88/74/569728874.db2.gz YNMWRZYXJXATJY-UHFFFAOYSA-N 0 0 458.541 4.260 50 0 JIAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3cccc(OC)c3OC)C2)c(OC)c1 ZINC000095945284 569730878 /nfs/dbraw/zinc/73/08/78/569730878.db2.gz ZXPULRGJBCWGHU-QFIPXVFZSA-N 0 0 482.558 4.261 50 0 JIAARN Cc1sc2nc(C(F)(F)F)nc(N3CCC(NS(=O)(=O)c4ccccc4)CC3)c2c1C ZINC000095948996 569731362 /nfs/dbraw/zinc/73/13/62/569731362.db2.gz FVDFOIHUDMSPKQ-UHFFFAOYSA-N 0 0 470.542 4.274 50 0 JIAARN O=C(COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc3c(c1)OCO3)CC2)N1CCCC1 ZINC000096021391 569731875 /nfs/dbraw/zinc/73/18/75/569731875.db2.gz ZUBASVWEFKDXND-AQTBWJFISA-N 0 0 456.498 4.230 50 0 JIAARN COCCN(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)S(=O)(=O)c1cccc(Cl)c1 ZINC000035944781 569732206 /nfs/dbraw/zinc/73/22/06/569732206.db2.gz MBKNLLYDYWJHLY-UHFFFAOYSA-N 0 0 482.046 4.228 50 0 JIAARN CC[C@H](C(=O)N(Cc1cc(NC(=O)COC)ccc1N(C)C)C[C@H]1CCCO1)c1ccccc1 ZINC000035944993 569732436 /nfs/dbraw/zinc/73/24/36/569732436.db2.gz ZJHKSAVXCMREKA-RPWUZVMVSA-N 0 0 467.610 4.039 50 0 JIAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)cc1 ZINC000035946683 569733972 /nfs/dbraw/zinc/73/39/72/569733972.db2.gz DOPSDNYQOZBACA-NRFANRHFSA-N 0 0 451.523 4.346 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1)C(=O)CC(C)(C)C ZINC000035947115 569734195 /nfs/dbraw/zinc/73/41/95/569734195.db2.gz OCISSMDRUVUEJQ-QHCPKHFHSA-N 0 0 453.558 4.415 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1)C(=O)c1ccccc1Cl ZINC000035948140 569735105 /nfs/dbraw/zinc/73/51/05/569735105.db2.gz XSBCZIJAWPQPPX-HSZRJFAPSA-N 0 0 495.963 4.408 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(C)cc1)C(=O)NC(C)(C)C ZINC000035948840 569735558 /nfs/dbraw/zinc/73/55/58/569735558.db2.gz PJACPRYKSSYRAD-XMMPIXPASA-N 0 0 480.609 4.138 50 0 JIAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cc3cccc4c3n(c2=O)CC4)S1 ZINC000096116945 569735687 /nfs/dbraw/zinc/73/56/87/569735687.db2.gz WOFHKDCQIHBCFI-UZLBHIALSA-N 0 0 450.564 4.064 50 0 JIAARN COc1ccc2cc([C@H]3SC(C)=Nc4c3c(=O)[nH]n4[C@H]3CCOC(C)(C)C3)c(=O)n(C)c2c1 ZINC000096118045 569736053 /nfs/dbraw/zinc/73/60/53/569736053.db2.gz ABTCMWAOIZTGJI-MGPUTAFESA-N 0 0 468.579 4.053 50 0 JIAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc(F)cc1 ZINC000035949488 569736206 /nfs/dbraw/zinc/73/62/06/569736206.db2.gz SBYFERSEOCPWSN-DEOSSOPVSA-N 0 0 468.573 4.188 50 0 JIAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000035960675 569736471 /nfs/dbraw/zinc/73/64/71/569736471.db2.gz AFBNYIXESFQRHT-QHCPKHFHSA-N 0 0 487.000 4.094 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccs3)[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000035960525 569736475 /nfs/dbraw/zinc/73/64/75/569736475.db2.gz UAUIMNJHAUVPFQ-NRFANRHFSA-N 0 0 481.549 4.354 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(OC)cc1)C(=O)c1cccs1 ZINC000035961442 569736981 /nfs/dbraw/zinc/73/69/81/569736981.db2.gz XLKFGUNQNNXOSK-QHCPKHFHSA-N 0 0 495.576 4.362 50 0 JIAARN COc1ccc([C@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN(C)C(=O)c2cccs2)cc1 ZINC000035961972 569737313 /nfs/dbraw/zinc/73/73/13/569737313.db2.gz SWMIBEHMWIRTGJ-JOCHJYFZSA-N 0 0 463.559 4.215 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1Cl)C(=O)C(C)C ZINC000035962048 569737495 /nfs/dbraw/zinc/73/74/95/569737495.db2.gz YLKFZTRCQQNPPF-HSZRJFAPSA-N 0 0 471.985 4.157 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccccc2OC)cc1 ZINC000035962530 569737681 /nfs/dbraw/zinc/73/76/81/569737681.db2.gz RZHFNKKPALWLNC-RUZDIDTESA-N 0 0 487.556 4.162 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)NC(C)(C)C)[C@H](c3ccccc3Cl)C2)c1 ZINC000035963198 569737950 /nfs/dbraw/zinc/73/79/50/569737950.db2.gz ZYXYHACIUXWNIR-NRFANRHFSA-N 0 0 456.974 4.466 50 0 JIAARN CCN1C2=C(C(=O)N([C@@H](C(=O)NCc3ccco3)c3ccccc3)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000035966300 569738375 /nfs/dbraw/zinc/73/83/75/569738375.db2.gz NEIQBFBXXNGNJU-CLJLJLNGSA-N 0 0 498.583 4.137 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccc(OC)cc2)cc1 ZINC000096568978 569741400 /nfs/dbraw/zinc/74/14/00/569741400.db2.gz KSMLEIFFHFTSKA-HYARGMPZSA-N 0 0 488.496 4.010 50 0 JIAARN O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000096582320 569741935 /nfs/dbraw/zinc/74/19/35/569741935.db2.gz OPCVOUFRXYDUQI-UHFFFAOYSA-N 0 0 459.527 4.301 50 0 JIAARN O=C(Oc1cccc2cccnc21)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 ZINC000096592562 569742121 /nfs/dbraw/zinc/74/21/21/569742121.db2.gz KBGLRBCCBAMETN-UHFFFAOYSA-N 0 0 475.364 4.391 50 0 JIAARN COc1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(Br)cc2)C(=O)c2ccccc2)cc1 ZINC000096602198 569742484 /nfs/dbraw/zinc/74/24/84/569742484.db2.gz VEFQNOXJQVNTAW-OAQYLSRUSA-N 0 0 498.402 4.383 50 0 JIAARN CC1CCC2(CC1)OC[C@@H](C(=O)NCc1ccncc1)N2C(=O)c1ccccc1C(F)(F)F ZINC000035981604 569742725 /nfs/dbraw/zinc/74/27/25/569742725.db2.gz CXKLWILTDNCFLP-UKAYHFCDSA-N 0 0 461.484 4.164 50 0 JIAARN Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)nc(C)n2)cc1 ZINC000096646349 569742811 /nfs/dbraw/zinc/74/28/11/569742811.db2.gz HMXXQCJXUNOFMW-UHFFFAOYSA-N 0 0 465.623 4.273 50 0 JIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cnc(-c3cccc(C)c3)nc2N2CCCC[C@@H]2C)C1 ZINC000035988631 569743693 /nfs/dbraw/zinc/74/36/93/569743693.db2.gz PXHGKNJWPBFPCO-FPOVZHCZSA-N 0 0 450.583 4.246 50 0 JIAARN COCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000035990317 569744106 /nfs/dbraw/zinc/74/41/06/569744106.db2.gz DSIYWQIPXWGJSO-UHFFFAOYSA-N 0 0 490.995 4.195 50 0 JIAARN CCOc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccccc2)c1 ZINC000097105733 569744142 /nfs/dbraw/zinc/74/41/42/569744142.db2.gz LNLNMBFMOHQSCP-XMMPIXPASA-N 0 0 463.559 4.448 50 0 JIAARN Cc1nn(-c2ccc(F)cc2)c2nc(C3CC3)nc(N3CCN(C(=O)c4cccs4)CC3)c12 ZINC000035990367 569744168 /nfs/dbraw/zinc/74/41/68/569744168.db2.gz GDUYNMWDAGSAIO-UHFFFAOYSA-N 0 0 462.554 4.164 50 0 JIAARN Cc1nc2c(cnn2-c2ccccc2Cl)c(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000035990646 569744189 /nfs/dbraw/zinc/74/41/89/569744189.db2.gz ITBFTJKMGRZNDB-UHFFFAOYSA-N 0 0 467.360 4.393 50 0 JIAARN CCc1nc2c(cnn2-c2ccccc2Cl)c(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000035990667 569744192 /nfs/dbraw/zinc/74/41/92/569744192.db2.gz JAJNMVXKZKEMSZ-UHFFFAOYSA-N 0 0 464.932 4.133 50 0 JIAARN CCc1nc2c(cnn2-c2ccccc2Cl)c(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1 ZINC000035990664 569744206 /nfs/dbraw/zinc/74/42/06/569744206.db2.gz 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COc1ccc(CCn2c(SCC(N)=O)nc3scc(-c4cccs4)c3c2=O)cc1OC ZINC000012790855 195131897 /nfs/dbraw/zinc/13/18/97/195131897.db2.gz LMNXTMJOJNWEDD-UHFFFAOYSA-N 0 0 487.628 4.024 50 0 JIAARN CCCCN1C(=O)C[C@@H](C(=O)N(C)Cc2c(Cl)nc3sccn23)[C@@H]1c1ccc(OC)cc1 ZINC000012791561 195132453 /nfs/dbraw/zinc/13/24/53/195132453.db2.gz XQWWBEAVMXNODR-XLIONFOSSA-N 0 0 475.014 4.406 50 0 JIAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1nnc(Cc2ccccc2)s1 ZINC000012794262 195134501 /nfs/dbraw/zinc/13/45/01/195134501.db2.gz BOYGCRRFAXMVLT-UHFFFAOYSA-N 0 0 456.527 4.297 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)c1 ZINC000012794279 195134557 /nfs/dbraw/zinc/13/45/57/195134557.db2.gz YDEODEVRNRXFJK-UHFFFAOYSA-N 0 0 477.586 4.436 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1 ZINC000012797938 195137408 /nfs/dbraw/zinc/13/74/08/195137408.db2.gz VQQNHPOMHORDIA-KBXCAEBGSA-N 0 0 471.608 4.263 50 0 JIAARN CCOCCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N(C)Cc1ccccc1F ZINC000012798087 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HBSRQFHPPAYFRC-UHFFFAOYSA-N 0 0 468.953 4.210 50 0 JIAARN Cc1c(NC(=O)CNc2ccccc2C(=O)Nc2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000012811820 195144843 /nfs/dbraw/zinc/14/48/43/195144843.db2.gz WZHVFYHJVCBVJB-UHFFFAOYSA-N 0 0 469.545 4.096 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H](c2ccccc2)c2ccc(C)c(C)c2)cc1 ZINC000012813534 195145847 /nfs/dbraw/zinc/14/58/47/195145847.db2.gz GFNNWWKVOVSMDG-SANMLTNESA-N 0 0 464.587 4.080 50 0 JIAARN Cc1ccccc1NC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 ZINC000012819931 195148823 /nfs/dbraw/zinc/14/88/23/195148823.db2.gz FXLJGMFDHKVAGJ-UHFFFAOYSA-N 0 0 459.575 4.299 50 0 JIAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1ccc2ccccc2c1 ZINC000012822210 195149802 /nfs/dbraw/zinc/14/98/02/195149802.db2.gz UBKIBWBJMHNASO-INIZCTEOSA-N 0 0 458.530 4.396 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000012824570 195150603 /nfs/dbraw/zinc/15/06/03/195150603.db2.gz XEKKOKLAIYUGQK-UHFFFAOYSA-N 0 0 486.421 4.113 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)CCc3ccc(OC)c(OC)c3)cc2)cc1 ZINC000012825112 195150725 /nfs/dbraw/zinc/15/07/25/195150725.db2.gz BNGSOBRHJFWEFL-UHFFFAOYSA-N 0 0 498.601 4.218 50 0 JIAARN COc1ccc(CCNC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1OC ZINC000012845662 195152177 /nfs/dbraw/zinc/15/21/77/195152177.db2.gz YKRBKHVURJLQMD-DNVCBOLYSA-N 0 0 464.444 4.126 50 0 JIAARN O=C(NCc1ccc2c(c1)OCO2)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000012847831 195153245 /nfs/dbraw/zinc/15/32/45/195153245.db2.gz QGRNCVSSXZMLCF-QFBILLFUSA-N 0 0 462.403 4.341 50 0 JIAARN CN(C(=O)CSc1nnc(Cc2ccccc2F)n1N)C(c1ccccc1)c1ccccc1 ZINC000012848845 195153662 /nfs/dbraw/zinc/15/36/62/195153662.db2.gz RPLMFIPOTGYYKP-UHFFFAOYSA-N 0 0 461.566 4.062 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2SCC(F)(F)F)c1 ZINC000012849629 195153910 /nfs/dbraw/zinc/15/39/10/195153910.db2.gz VZXPPEZGETXWFD-UHFFFAOYSA-N 0 0 452.907 4.497 50 0 JIAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)CC2)nc1 ZINC000012849701 195153989 /nfs/dbraw/zinc/15/39/89/195153989.db2.gz OXEZJGUGAXGRQL-LJQANCHMSA-N 0 0 455.624 4.433 50 0 JIAARN COc1ccc(/C=C/C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000012854110 195156319 /nfs/dbraw/zinc/15/63/19/195156319.db2.gz SUVVVZUIMMBQOZ-AYAUWGRQSA-N 0 0 474.545 4.072 50 0 JIAARN CCOc1cc(/C=C/C(=O)Nc2ccc(=O)n(CCOC)c2)ccc1OCCOc1ccccc1 ZINC000012855674 195157400 /nfs/dbraw/zinc/15/74/00/195157400.db2.gz VOZSCFKDMXKTDR-JLHYYAGUSA-N 0 0 478.545 4.003 50 0 JIAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 ZINC000012856024 195157527 /nfs/dbraw/zinc/15/75/27/195157527.db2.gz UIZFJZTVNKGFIU-UHFFFAOYSA-N 0 0 492.601 4.156 50 0 JIAARN Cc1ccc(NC(=O)CCN2C(=O)CSc3ccccc32)cc1I ZINC000012866679 195161619 /nfs/dbraw/zinc/16/16/19/195161619.db2.gz LPNTYKROYBHIRX-UHFFFAOYSA-N 0 0 452.317 4.067 50 0 JIAARN Cc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2cccs2)cc1 ZINC000012870455 195163150 /nfs/dbraw/zinc/16/31/50/195163150.db2.gz QNIXUOOJFLIHNC-HSZRJFAPSA-N 0 0 454.617 4.363 50 0 JIAARN COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2OC)c(OC)c1 ZINC000012873196 195164668 /nfs/dbraw/zinc/16/46/68/195164668.db2.gz LKCHWBLYNORGKO-PMWMKWCKSA-N 0 0 455.551 4.230 50 0 biogenic JIAARN COc1ccccc1[C@H]1CN2C(=O)CN(CCCOC(C)C)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012875051 195165655 /nfs/dbraw/zinc/16/56/55/195165655.db2.gz AECNFRQRGCYHSB-PIKZIKFNSA-N 0 0 475.589 4.023 50 0 biogenic JIAARN CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)s1 ZINC000012876127 195166091 /nfs/dbraw/zinc/16/60/91/195166091.db2.gz IOTSWTZIIJESBR-AWEZNQCLSA-N 0 0 495.823 4.115 50 0 JIAARN Cc1cc(C(=O)COC(=O)c2cnc3ccccc3c2C(F)(F)F)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000012876377 195166379 /nfs/dbraw/zinc/16/63/79/195166379.db2.gz YLPQIEGJGJWKKM-HNNXBMFYSA-N 0 0 494.491 4.071 50 0 JIAARN COc1ccccc1[C@@H]1CN2C(=O)CN(Cc3ccccc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012876900 195166638 /nfs/dbraw/zinc/16/66/38/195166638.db2.gz BACYEXQMORHDNZ-ZTOMLWHTSA-N 0 0 465.553 4.408 50 0 biogenic JIAARN CCCN(CCC)c1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000012878483 195167354 /nfs/dbraw/zinc/16/73/54/195167354.db2.gz NALRTKCAIOFAPU-NRFANRHFSA-N 0 0 468.594 4.489 50 0 biogenic JIAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000012881209 195168698 /nfs/dbraw/zinc/16/86/98/195168698.db2.gz GOEJGLCTQLXJFC-RUZDIDTESA-N 0 0 461.905 4.464 50 0 JIAARN CCc1ccc(-n2c(SCC(=O)NCCOc3ccccc3OC)nc3ccccc3c2=O)cc1 ZINC000012883517 195169640 /nfs/dbraw/zinc/16/96/40/195169640.db2.gz QJRXRGBYOPEPNX-UHFFFAOYSA-N 0 0 489.597 4.244 50 0 JIAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000012886731 195170741 /nfs/dbraw/zinc/17/07/41/195170741.db2.gz OZLMPWQQLIEMCV-UHFFFAOYSA-N 0 0 470.522 4.060 50 0 JIAARN O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012886471 195170784 /nfs/dbraw/zinc/17/07/84/195170784.db2.gz PRMNFQJHISVELF-NRFANRHFSA-N 0 0 487.339 4.378 50 0 JIAARN CN(c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1)S(=O)(=O)c1cccs1 ZINC000012886806 195170797 /nfs/dbraw/zinc/17/07/97/195170797.db2.gz IJPDIJQLTOFKKV-UHFFFAOYSA-N 0 0 499.383 4.492 50 0 JIAARN CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000012890520 195172649 /nfs/dbraw/zinc/17/26/49/195172649.db2.gz ONDOLSUWKKUXGR-NRFANRHFSA-N 0 0 454.368 4.270 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3-c3nc4ccccc4s3)CC2)cc1 ZINC000012895178 195174960 /nfs/dbraw/zinc/17/49/60/195174960.db2.gz DSFUDOMSCICUSK-UHFFFAOYSA-N 0 0 493.610 4.119 50 0 JIAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N21)NCc1ccccc1 ZINC000020642407 195193811 /nfs/dbraw/zinc/19/38/11/195193811.db2.gz SOLLLDNZNUFPLQ-DEOSSOPVSA-N 0 0 493.592 4.419 50 0 JIAARN O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O)NCc1ccccc1 ZINC000020643182 195194202 /nfs/dbraw/zinc/19/42/02/195194202.db2.gz MVDVCHRABHTXQO-QFIPXVFZSA-N 0 0 472.545 4.424 50 0 JIAARN O=C(CCn1c(=O)c2ccccc2nc1SCC(=O)NCCC1=CCCCC1)NC1CCCCC1 ZINC000020643936 195194379 /nfs/dbraw/zinc/19/43/79/195194379.db2.gz BMJIELQGGSNPJN-UHFFFAOYSA-N 0 0 496.677 4.334 50 0 JIAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(OC)c(Cl)cc1OC)C2=O ZINC000012903207 195178233 /nfs/dbraw/zinc/17/82/33/195178233.db2.gz JALBGYARBDUEHL-UHFFFAOYSA-N 0 0 465.978 4.213 50 0 JIAARN O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012906102 195179805 /nfs/dbraw/zinc/17/98/05/195179805.db2.gz QIDBXGUDBYAAJE-UHFFFAOYSA-N 0 0 455.407 4.143 50 0 JIAARN CC[C@@H](C(=O)Nc1c(C)nn(Cc2cn(CC)nc2C)c1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607564 195181561 /nfs/dbraw/zinc/18/15/61/195181561.db2.gz DFRBFZVXRVTOFK-SFHVURJKSA-N 0 0 477.535 4.367 50 0 JIAARN CC[C@@H](C(=O)NC[C@H](C)Cn1nc(C(F)(F)F)cc1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607598 195181759 /nfs/dbraw/zinc/18/17/59/195181759.db2.gz HCBKZKPOAJRTTN-FZMZJTMJSA-N 0 0 465.442 4.318 50 0 JIAARN O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccccc1Cl ZINC000020624726 195191271 /nfs/dbraw/zinc/19/12/71/195191271.db2.gz AIQQNTKKLQHPIU-NRFANRHFSA-N 0 0 461.827 4.411 50 0 JIAARN COc1ccc(CN2C(=O)[C@@](NC(=O)C3CCCCC3)(C(F)(F)F)N=C2c2ccccc2)cc1 ZINC000020808268 195228896 /nfs/dbraw/zinc/22/88/96/195228896.db2.gz TVRIAECWKZVCDF-XMMPIXPASA-N 0 0 473.495 4.439 50 0 JIAARN CCCCCCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000020842096 195230081 /nfs/dbraw/zinc/23/00/81/195230081.db2.gz HERMLNOOKPDFHC-UHFFFAOYSA-N 0 0 456.616 4.315 50 0 JIAARN CCCCc1nc2sc3c(ncnc3NCCN3CCOCC3)c2c2c1COC(C)(C)C2 ZINC000020840520 195230122 /nfs/dbraw/zinc/23/01/22/195230122.db2.gz CVGYBYVAZWGVQN-UHFFFAOYSA-N 0 0 455.628 4.178 50 0 JIAARN COC(=O)c1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(C(C)(C)C)cc4)n3)c2C)cc1 ZINC000020848747 195230627 /nfs/dbraw/zinc/23/06/27/195230627.db2.gz JDQBSNDZJONJSP-UHFFFAOYSA-N 0 0 476.562 4.431 50 0 JIAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(=O)n(-c2ccccc2)n1C ZINC000020853311 195231593 /nfs/dbraw/zinc/23/15/93/195231593.db2.gz RICRRNPYPCSVIS-QGZVFWFLSA-N 0 0 472.545 4.029 50 0 JIAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000020791524 195225858 /nfs/dbraw/zinc/22/58/58/195225858.db2.gz MSQKAZZHCCXOML-UHFFFAOYSA-N 0 0 474.538 4.267 50 0 JIAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000020895532 195239634 /nfs/dbraw/zinc/23/96/34/195239634.db2.gz YLYLDCUORSKVGI-LJQANCHMSA-N 0 0 496.358 4.177 50 0 JIAARN CCOc1ccc(NC(=O)Cn2c3ccccc3nc(-c3ccccc3NC(=O)CC)c2=O)cc1 ZINC000020899533 195240811 /nfs/dbraw/zinc/24/08/11/195240811.db2.gz WJWHEJLKAGEJCW-UHFFFAOYSA-N 0 0 470.529 4.449 50 0 JIAARN CCCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000020902977 195242652 /nfs/dbraw/zinc/24/26/52/195242652.db2.gz GNEWADWMFZFRGW-BNJIMDBKSA-N 0 0 455.599 4.368 50 0 JIAARN COC(=O)C[C@@H](NCc1cc2ccc(SC)cc2nc1OCc1ccccc1Cl)C(=O)OC ZINC000020907501 195245489 /nfs/dbraw/zinc/24/54/89/195245489.db2.gz KOROEFRXIFYJEL-OAQYLSRUSA-N 0 0 488.993 4.383 50 0 JIAARN COc1ccc(CN2C(=O)[C@@H]3Cc4ccccc4CN3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000020918029 195246808 /nfs/dbraw/zinc/24/68/08/195246808.db2.gz JUOYTPDKCFVSEM-WNJJXGMVSA-N 0 0 475.633 4.062 50 0 JIAARN CCCCc1nn2c(nc(COc3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)cc2=O)s1 ZINC000020859349 195233082 /nfs/dbraw/zinc/23/30/82/195233082.db2.gz RUKSWEPUCSJAMC-UHFFFAOYSA-N 0 0 478.530 4.054 50 0 JIAARN CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc(F)cc4)ccc3n2C(C)C)CC1 ZINC000020893446 195238083 /nfs/dbraw/zinc/23/80/83/195238083.db2.gz XWGFMVLDVXIBQQ-UHFFFAOYSA-N 0 0 467.545 4.283 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(-c2ccc(=O)n([C@H](C)C(=O)c3ccc(C)c(C)c3)n2)ccc1C ZINC000020893657 195238314 /nfs/dbraw/zinc/23/83/14/195238314.db2.gz SMUUSWISZXYRMW-HXUWFJFHSA-N 0 0 481.618 4.310 50 0 JIAARN CC[C@@H](C(=O)N1CCN(c2ccccc2)CC1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937618 195253745 /nfs/dbraw/zinc/25/37/45/195253745.db2.gz ZKUDEURYCVYJBS-VWLOTQADSA-N 0 0 494.661 4.116 50 0 JIAARN CC[C@H](C(=O)NCCc1ccccc1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937739 195253752 /nfs/dbraw/zinc/25/37/52/195253752.db2.gz CBVXJTJCFQSZJR-HSZRJFAPSA-N 0 0 453.608 4.126 50 0 JIAARN Cc1nn(-c2ccc(Br)cc2)cc1-c1noc(C(=O)NCc2cccc(C)c2)n1 ZINC000020946762 195257075 /nfs/dbraw/zinc/25/70/75/195257075.db2.gz VFIKQEFVDOPHFB-UHFFFAOYSA-N 0 0 452.312 4.232 50 0 JIAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1OCC ZINC000020923852 195248923 /nfs/dbraw/zinc/24/89/23/195248923.db2.gz JMDUBZIQWNXYDX-UHFFFAOYSA-N 0 0 465.506 4.040 50 0 JIAARN O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1ccc(F)cc1F ZINC000020937238 195253437 /nfs/dbraw/zinc/25/34/37/195253437.db2.gz GAWYMPAMRINRQF-UHFFFAOYSA-N 0 0 462.431 4.407 50 0 JIAARN COc1cccc(CNC(=O)Cn2nc3c4cc(F)ccc4n(Cc4cccc(C)c4)cc-3c2=O)c1 ZINC000020937158 195253463 /nfs/dbraw/zinc/25/34/63/195253463.db2.gz CQUZCZNPWJBEMH-UHFFFAOYSA-N 0 0 484.531 4.124 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)Sc4ccccc43)c2)on1 ZINC000020985160 195260455 /nfs/dbraw/zinc/26/04/55/195260455.db2.gz RBEJQULKMVRHLV-CQSZACIVSA-N 0 0 474.560 4.216 50 0 JIAARN CCc1c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)cc(C)n1Cc1ccc(OC)cc1 ZINC000020997616 195265050 /nfs/dbraw/zinc/26/50/50/195265050.db2.gz OWLPTIQERPOOGL-DHZHZOJOSA-N 0 0 485.628 4.247 50 0 JIAARN Cc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4nc(C(C)C)sc4n3)cc2)c1 ZINC000021016753 195266618 /nfs/dbraw/zinc/26/66/18/195266618.db2.gz HKPKPHIOVWVQCN-UHFFFAOYSA-N 0 0 462.531 4.192 50 0 JIAARN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(F)cc1 ZINC000021029405 195269304 /nfs/dbraw/zinc/26/93/04/195269304.db2.gz ZSSNOZHMTYGBQC-UHFFFAOYSA-N 0 0 485.364 4.275 50 0 JIAARN CC(C)Oc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000021049879 195272512 /nfs/dbraw/zinc/27/25/12/195272512.db2.gz JHKDCGUQIGKABL-UHFFFAOYSA-N 0 0 466.969 4.300 50 0 JIAARN COc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1OC ZINC000021100209 195276363 /nfs/dbraw/zinc/27/63/63/195276363.db2.gz SBDWMSQALUUJJS-UHFFFAOYSA-N 0 0 460.490 4.243 50 0 JIAARN Cc1cc(NC(=O)c2ccccc2Cl)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)n1 ZINC000021113799 195278110 /nfs/dbraw/zinc/27/81/10/195278110.db2.gz IXHBFVMZRQSPJT-UHFFFAOYSA-N 0 0 473.924 4.125 50 0 JIAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc4c(c3)CN(Cc3ccccc3)C4)cc2)c1N ZINC000021115449 195278521 /nfs/dbraw/zinc/27/85/21/195278521.db2.gz HKWWIHUPZBGABR-UHFFFAOYSA-N 0 0 481.556 4.399 50 0 JIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)cc12 ZINC000021127961 195280770 /nfs/dbraw/zinc/28/07/70/195280770.db2.gz IQWFCTGNTFNCGQ-SFHVURJKSA-N 0 0 490.585 4.416 50 0 JIAARN CCOCCCNc1sc(S(=O)(=O)c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000021148749 195282187 /nfs/dbraw/zinc/28/21/87/195282187.db2.gz JBFMFDNAAIFQOG-UHFFFAOYSA-N 0 0 494.660 4.264 50 0 JIAARN COc1cccc(C(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3nc(C)ccc3c2=O)c1 ZINC000021151481 195283032 /nfs/dbraw/zinc/28/30/32/195283032.db2.gz YCEZRYIJZPSDOT-UHFFFAOYSA-N 0 0 461.905 4.237 50 0 JIAARN COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCc2cccc(OC)c2)cc1 ZINC000021163929 195288434 /nfs/dbraw/zinc/28/84/34/195288434.db2.gz MWDGTYDQQXRUEO-SANMLTNESA-N 0 0 469.541 4.057 50 0 JIAARN COc1ccc([C@H]2OCC(C)(C)n3c(-c4ccc(Cl)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000021176286 195290099 /nfs/dbraw/zinc/29/00/99/195290099.db2.gz JMGZXFSDRSOHLZ-HSZRJFAPSA-N 0 0 479.964 4.222 50 0 JIAARN Cc1noc(C)c1CSc1ccccc1C(=O)O[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000021194379 195291187 /nfs/dbraw/zinc/29/11/87/195291187.db2.gz FJHSZSOKSWLGLZ-MRXNPFEDSA-N 0 0 459.568 4.288 50 0 JIAARN CCOc1ccc(-n2c(S[C@@H](C(=O)NC(N)=O)C(C)C)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000021230400 195291875 /nfs/dbraw/zinc/29/18/75/195291875.db2.gz HQIALQYEQPAHMC-HXUWFJFHSA-N 0 0 478.578 4.126 50 0 JIAARN Cc1cccc(-n2nnnc2SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1 ZINC000021262920 195292299 /nfs/dbraw/zinc/29/22/99/195292299.db2.gz GRASSCXOMAIDIX-UHFFFAOYSA-N 0 0 479.587 4.129 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nnc(Cc4ccc5c(c4)OCO5)o3)c2)cc1 ZINC000021358785 195298392 /nfs/dbraw/zinc/29/83/92/195298392.db2.gz UKELAPDCVQXYPM-UHFFFAOYSA-N 0 0 477.498 4.060 50 0 JIAARN Cc1c(NC(=O)[C@H](C)OC(=O)CCc2ccc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C ZINC000021376222 195300618 /nfs/dbraw/zinc/30/06/18/195300618.db2.gz KATHKIRLYQVASA-IBGZPJMESA-N 0 0 473.529 4.247 50 0 JIAARN CCOC(=O)Cc1csc(S[C@H](C)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)n1 ZINC000021450357 195301531 /nfs/dbraw/zinc/30/15/31/195301531.db2.gz NJPMQCQKLLYHMY-GFCCVEGCSA-N 0 0 482.649 4.485 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)CC2)cc1 ZINC000021486429 195302849 /nfs/dbraw/zinc/30/28/49/195302849.db2.gz LAHNJPFEMYFBHM-UHFFFAOYSA-N 0 0 454.592 4.040 50 0 JIAARN CCCC(=O)Nc1ccc(-c2csc(NC(=O)CCc3c(C)nc4ncnn4c3C)n2)cc1 ZINC000021499433 195303370 /nfs/dbraw/zinc/30/33/70/195303370.db2.gz JCIVJVYBEHHBLA-UHFFFAOYSA-N 0 0 463.567 4.175 50 0 JIAARN CCOCCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021527535 195305957 /nfs/dbraw/zinc/30/59/57/195305957.db2.gz JBMDGQXLBDLZKI-MHZLTWQESA-N 0 0 485.625 4.139 50 0 JIAARN COc1ccc([C@@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCc2ccccc2C)cc1 ZINC000021531157 195309383 /nfs/dbraw/zinc/30/93/83/195309383.db2.gz ZQADMDAXVDJURR-AREMUKBSSA-N 0 0 453.542 4.357 50 0 JIAARN CCCn1cnc2nc(CSc3ccccc3NC(=O)COc3ccc(C)cc3C)cc(=O)n21 ZINC000021797333 195322830 /nfs/dbraw/zinc/32/28/30/195322830.db2.gz YTPCOPIFPCVCNN-UHFFFAOYSA-N 0 0 477.590 4.228 50 0 JIAARN CCCn1cnc2nc(CSc3ccccc3NC(=O)COc3cc(C)cc(C)c3)cc(=O)n21 ZINC000021797351 195322890 /nfs/dbraw/zinc/32/28/90/195322890.db2.gz QBUFNSVIADQVAS-UHFFFAOYSA-N 0 0 477.590 4.228 50 0 JIAARN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000058342207 195378135 /nfs/dbraw/zinc/37/81/35/195378135.db2.gz YJERGXFPCLBVEJ-ROUUACIJSA-N 0 0 454.596 4.110 50 0 JIAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000021929518 195334976 /nfs/dbraw/zinc/33/49/76/195334976.db2.gz OSBFILIZKBUGGD-UHFFFAOYSA-N 0 0 462.568 4.037 50 0 JIAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)Nc1ccc(OC)cc1OC ZINC000021935832 195336179 /nfs/dbraw/zinc/33/61/79/195336179.db2.gz SZFQDFYXTLKINL-RTWAWAEBSA-N 0 0 480.590 4.469 50 0 JIAARN COc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(C(C)C)cc4)C3)n2)c(OC)c1 ZINC000021940112 195338636 /nfs/dbraw/zinc/33/86/36/195338636.db2.gz RGKBZJJKOOJYOA-GOSISDBHSA-N 0 0 471.579 4.446 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4cccc(Br)c4)no3)C2)cc1 ZINC000021939831 195338683 /nfs/dbraw/zinc/33/86/83/195338683.db2.gz MHMDNKLMKXPPFN-INIZCTEOSA-N 0 0 462.369 4.376 50 0 JIAARN CCCCc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000057426543 195340673 /nfs/dbraw/zinc/34/06/73/195340673.db2.gz GMYLZGHLVCJWKW-UHFFFAOYSA-N 0 0 465.550 4.393 50 0 JIAARN CC(C)c1ccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccccc3F)c2=O)cc1 ZINC000057426738 195340953 /nfs/dbraw/zinc/34/09/53/195340953.db2.gz PMJWSAZOIHIIOM-UHFFFAOYSA-N 0 0 451.523 4.174 50 0 JIAARN CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000057478341 195343619 /nfs/dbraw/zinc/34/36/19/195343619.db2.gz SKPKZPAOOPDQEQ-XMMPIXPASA-N 0 0 467.997 4.466 50 0 JIAARN COc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)Nc1cc(F)ccc1F ZINC000057487662 195345178 /nfs/dbraw/zinc/34/51/78/195345178.db2.gz GVIRAUQSELIKLB-UHFFFAOYSA-N 0 0 459.499 4.465 50 0 JIAARN O=C(CSc1nc2ccsc2c(=O)n1-c1cc(F)cc(F)c1)NCc1ccc(F)cc1 ZINC000057489327 195346494 /nfs/dbraw/zinc/34/64/94/195346494.db2.gz ZIDVYBDTHFFFOA-UHFFFAOYSA-N 0 0 461.490 4.273 50 0 JIAARN COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(C)c(C)c3)c2=O)cc1Cl ZINC000057491119 195347122 /nfs/dbraw/zinc/34/71/22/195347122.db2.gz PNACJNKOBVTZKE-UHFFFAOYSA-N 0 0 469.950 4.131 50 0 JIAARN CN(C(=O)Cn1c2ccsc2c(=O)n(-c2ccc(Cl)cc2)c1=O)c1cccc(Cl)c1 ZINC000057491998 195347510 /nfs/dbraw/zinc/34/75/10/195347510.db2.gz HWUAWZZIJXBSEE-UHFFFAOYSA-N 0 0 460.342 4.184 50 0 JIAARN Cc1cccc(Cl)c1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000057491989 195347591 /nfs/dbraw/zinc/34/75/91/195347591.db2.gz QVOHMWUYPQDMIF-UHFFFAOYSA-N 0 0 460.342 4.468 50 0 JIAARN Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)c(Cl)c3)c2=O)c1 ZINC000057492629 195347699 /nfs/dbraw/zinc/34/76/99/195347699.db2.gz WBCCDXOZAJPFMT-UHFFFAOYSA-N 0 0 457.914 4.262 50 0 JIAARN Cc1cc(C)cc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(O)n2)c1 ZINC000057510451 195349851 /nfs/dbraw/zinc/34/98/51/195349851.db2.gz ODFODNBMVZDKET-UHFFFAOYSA-N 0 0 463.968 4.016 50 0 JIAARN CCN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccc(C)cc3)nnn2c2ccccc21 ZINC000057524023 195350189 /nfs/dbraw/zinc/35/01/89/195350189.db2.gz KEDVQAGMZKWQRG-UHFFFAOYSA-N 0 0 457.559 4.445 50 0 JIAARN O=C(CSc1nc2c3ccccc3oc2c(=O)n1C[C@@H]1CCCO1)Nc1ccc(F)cc1 ZINC000057523157 195350257 /nfs/dbraw/zinc/35/02/57/195350257.db2.gz XFYKXFPBLZFEFR-INIZCTEOSA-N 0 0 453.495 4.192 50 0 JIAARN CN(CC(=O)Nc1cccc(NC(=O)c2ccco2)c1)C(=O)c1ccc(Br)s1 ZINC000057994780 195361221 /nfs/dbraw/zinc/36/12/21/195361221.db2.gz UXGHKZFPBADRBV-UHFFFAOYSA-N 0 0 462.325 4.067 50 0 JIAARN CCOC(=O)[C@H](CNC(=O)CSc1nncn1-c1ccc(C(C)C)cc1)Cc1ccccc1 ZINC000058024494 195362999 /nfs/dbraw/zinc/36/29/99/195362999.db2.gz BUSGOYHZBNFLCY-NRFANRHFSA-N 0 0 466.607 4.021 50 0 JIAARN CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000058038528 195363387 /nfs/dbraw/zinc/36/33/87/195363387.db2.gz CIRKDOSLJLFKPN-DEOSSOPVSA-N 0 0 451.567 4.167 50 0 JIAARN O=C(COCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000058064420 195364086 /nfs/dbraw/zinc/36/40/86/195364086.db2.gz LADNSMACTKRPCP-SANMLTNESA-N 0 0 456.030 4.076 50 0 JIAARN O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000058102035 195364895 /nfs/dbraw/zinc/36/48/95/195364895.db2.gz ZABRIPAUDAYNCH-GOSISDBHSA-N 0 0 481.058 4.114 50 0 JIAARN CCOC(=O)CN(Cn1nc(-c2cc(-c3ccccn3)nc3ccccc32)oc1=S)C1CC1 ZINC000058162799 195369403 /nfs/dbraw/zinc/36/94/03/195369403.db2.gz UXYKTSREAQGFJA-UHFFFAOYSA-N 0 0 461.547 4.468 50 0 JIAARN CCOC(=O)COc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)c1 ZINC000058166123 195370065 /nfs/dbraw/zinc/37/00/65/195370065.db2.gz JBLCGVACXNLYHO-LEOXJPRUSA-N 0 0 468.525 4.180 50 0 JIAARN CCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000058179517 195372429 /nfs/dbraw/zinc/37/24/29/195372429.db2.gz RSISEFNRLQYONH-UHFFFAOYSA-N 0 0 451.470 4.359 50 0 JIAARN COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c(OC)c1OC ZINC000058305115 195376349 /nfs/dbraw/zinc/37/63/49/195376349.db2.gz VZJSTEIZUCSZPZ-HNNXBMFYSA-N 0 0 457.914 4.436 50 0 JIAARN COc1cccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3C3=N[C@@H](CC(C)C)C(=O)N32)c1 ZINC000021644386 195319389 /nfs/dbraw/zinc/31/93/89/195319389.db2.gz XDXFVEDGMPUIRO-KKSFZXQISA-N 0 0 464.591 4.138 50 0 JIAARN C[C@@H](SC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N21)C(=O)NCc1ccccc1 ZINC000021644556 195319511 /nfs/dbraw/zinc/31/95/11/195319511.db2.gz XMOBHDNIFUHFNH-VGSWGCGISA-N 0 0 454.555 4.456 50 0 JIAARN C[C@@H](SC1=Nc2ccccc2C2=N[C@H](c3ccccc3)C(=O)N21)C(=O)NCCc1ccccc1 ZINC000021644655 195319515 /nfs/dbraw/zinc/31/95/15/195319515.db2.gz XXGFKJWYNKKQLW-WZONZLPQSA-N 0 0 468.582 4.498 50 0 JIAARN COc1cccc(CNC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@H](c4ccccc4)C(=O)N32)c1 ZINC000021644633 195319592 /nfs/dbraw/zinc/31/95/92/195319592.db2.gz SSPGQSIHBGTFHY-UZUQRXQVSA-N 0 0 484.581 4.465 50 0 JIAARN CCc1ccc(NC(=O)NC2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)cc1 ZINC000064579330 195444095 /nfs/dbraw/zinc/44/40/95/195444095.db2.gz XAOXTBZGTUDDIQ-UHFFFAOYSA-N 0 0 482.588 4.193 50 0 JIAARN COc1ccc2c(C)c(CC(=O)NCCn3ccc4c3cccc4Cl)c(=O)oc2c1OC ZINC000062001840 195419665 /nfs/dbraw/zinc/41/96/65/195419665.db2.gz BIOVUDKXQMHMRK-UHFFFAOYSA-N 0 0 454.910 4.086 50 0 biogenic JIAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2SCc2nnnn2-c2ccccc2)CC1 ZINC000062573871 195422795 /nfs/dbraw/zinc/42/27/95/195422795.db2.gz FDLCQGIMDRTKBT-UHFFFAOYSA-N 0 0 498.612 4.446 50 0 JIAARN CC(C)CCNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2ccc(Cl)cc2)c1=O ZINC000064438442 195434848 /nfs/dbraw/zinc/43/48/48/195434848.db2.gz CNVWFQSEJHPWDR-UHFFFAOYSA-N 0 0 455.986 4.198 50 0 JIAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccccc2F)c1=O)Nc1ccc(F)cc1 ZINC000064438481 195434874 /nfs/dbraw/zinc/43/48/74/195434874.db2.gz OXXSALJJOITXLS-UHFFFAOYSA-N 0 0 463.484 4.299 50 0 JIAARN Cc1ccc(-c2nnc(-c3nn(C)c4c3CN(S(=O)(=O)c3ccc(C(C)C)cc3)CC4)o2)cc1 ZINC000064566625 195442312 /nfs/dbraw/zinc/44/23/12/195442312.db2.gz OAZCELRVOGPPRC-UHFFFAOYSA-N 0 0 477.590 4.316 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000096116194 129971529 /nfs/dbraw/zinc/97/15/29/129971529.db2.gz KWUAEWMSWUGNSM-RCZVLFRGSA-N 0 0 471.465 4.104 50 0 biogenic JIAARN COc1ccc2[nH]cc([C@H](CC(=O)NCCN3CCOCC3)c3cccc(C(F)(F)F)c3)c2c1 ZINC000096275576 130012095 /nfs/dbraw/zinc/01/20/95/130012095.db2.gz HLWLJMJOXDFSCE-HXUWFJFHSA-N 0 0 475.511 4.166 50 0 JIAARN O=C(COCc1ccccc1)N[C@@H](Cc1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096278034 130019257 /nfs/dbraw/zinc/01/92/57/130019257.db2.gz QTOIXBGTSOMNSS-NRFANRHFSA-N 0 0 457.486 4.082 50 0 JIAARN COc1cc(-c2noc(CCN(Cc3ccco3)C(=O)Cc3ccc(F)cc3)n2)cc(OC)c1OC ZINC000096290158 130039042 /nfs/dbraw/zinc/03/90/42/130039042.db2.gz SOJYXDGHNOESQG-UHFFFAOYSA-N 0 0 495.507 4.309 50 0 JIAARN CCCOc1cc(/C=C(\C(=O)OC)S(=O)(=O)c2ccc(Br)cc2)ccc1OC ZINC000096311065 130057953 /nfs/dbraw/zinc/05/79/53/130057953.db2.gz MRYZZOLTJVUDDB-CPNJWEJPSA-N 0 0 469.353 4.234 50 0 JIAARN CCCCOc1ccc(-c2cc3c4nnc(CCC(=O)NCc5ccco5)n4ccn3n2)cc1 ZINC000096322384 130065505 /nfs/dbraw/zinc/06/55/05/130065505.db2.gz NHPXFUAPNCCTII-UHFFFAOYSA-N 0 0 458.522 4.065 50 0 JIAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Cl)cc3F)ccc21)N1CCCCC1 ZINC000096324084 130068138 /nfs/dbraw/zinc/06/81/38/130068138.db2.gz BTAZFAMSDSMFIA-UHFFFAOYSA-N 0 0 498.001 4.059 50 0 JIAARN CC[C@@H](NC(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1)c1ccc2c(c1)OCCCO2 ZINC000096325031 130071413 /nfs/dbraw/zinc/07/14/13/130071413.db2.gz LQVSLKFDCKOUDT-GOSISDBHSA-N 0 0 451.548 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ZINC000002096359 521241829 /nfs/dbraw/zinc/24/18/29/521241829.db2.gz ODMHWMQBMGIMAY-QFIPXVFZSA-N 0 0 471.575 4.497 50 0 biogenic JIAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(O)c(OC)c3)sc2c1 ZINC000033271703 521299076 /nfs/dbraw/zinc/29/90/76/521299076.db2.gz YVINHZNYJKJZKB-HNNXBMFYSA-N 0 0 450.520 4.377 50 0 JIAARN CCOc1cccc(-c2noc(Cn3c4ccccc4c(=O)n(Cc4ccc(C)cc4)c3=O)n2)c1 ZINC000038487329 521312998 /nfs/dbraw/zinc/31/29/98/521312998.db2.gz IUZKNVOBERQNSJ-UHFFFAOYSA-N 0 0 468.513 4.017 50 0 JIAARN CCC[C@]1(C2CCN(C(=O)CCc3ccccc3Cl)CC2)NC(=O)N(Cc2ccco2)C1=O ZINC000014883408 521314789 /nfs/dbraw/zinc/31/47/89/521314789.db2.gz OAEQJLRDJRNXMG-RUZDIDTESA-N 0 0 471.985 4.395 50 0 JIAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000067238452 521356024 /nfs/dbraw/zinc/35/60/24/521356024.db2.gz QHMJNLURPPSSRR-UHFFFAOYSA-N 0 0 464.975 4.235 50 0 JIAARN CCN(Cc1ccccc1)C(=O)CSc1nc2cn(CC)nc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000009299834 521362199 /nfs/dbraw/zinc/36/21/99/521362199.db2.gz MMTCLOONWJSFOT-UHFFFAOYSA-N 0 0 496.036 4.455 50 0 JIAARN CCCCn1c(SCC(=O)N[C@H](Cc2ccccc2)C(C)=O)nc2sc(C)c(C)c2c1=O ZINC000008646387 521370886 /nfs/dbraw/zinc/37/08/86/521370886.db2.gz VTGVJEZIGUWXCR-LJQANCHMSA-N 0 0 471.648 4.284 50 0 JIAARN CCOC(=O)c1c(C)nsc1NC(=O)c1c(=O)n(-c2ccc(C)cc2)cc2c1CC(C)(C)CC2=O ZINC000065000542 521398712 /nfs/dbraw/zinc/39/87/12/521398712.db2.gz QAFTWBUMALSHLR-UHFFFAOYSA-N 0 0 493.585 4.495 50 0 JIAARN CCOC(=O)c1c(NC(=O)CN2CCN(CC(F)(F)F)CC2)sc(C)c1-c1ccc(C)cc1 ZINC000022800175 521409661 /nfs/dbraw/zinc/40/96/61/521409661.db2.gz LRVCCKPLUXDWFS-UHFFFAOYSA-N 0 0 483.556 4.327 50 0 JIAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000014240486 521453614 /nfs/dbraw/zinc/45/36/14/521453614.db2.gz NLZFIWWRJKHGBG-ZDUSSCGKSA-N 0 0 465.579 4.096 50 0 JIAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000014569831 521453895 /nfs/dbraw/zinc/45/38/95/521453895.db2.gz VVWKZKJPILXUBN-DHOLJGENSA-N 0 0 497.039 4.132 50 0 JIAARN CCOc1ccccc1CN1C(=O)c2cc(-c3ccco3)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021851053 521479409 /nfs/dbraw/zinc/47/94/09/521479409.db2.gz BWKJKIIBEZBSQZ-MHZLTWQESA-N 0 0 476.577 4.405 50 0 JIAARN CCOC(=O)c1ccc(Cc2cnc(NC(=O)[C@]3(C)Cc4ccccc4C(=O)O3)s2)cc1 ZINC000002709893 521479949 /nfs/dbraw/zinc/47/99/49/521479949.db2.gz HXLLMRWGHRGCSJ-DEOSSOPVSA-N 0 0 450.516 4.021 50 0 JIAARN CCOc1ccccc1CN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021860581 521480151 /nfs/dbraw/zinc/48/01/51/521480151.db2.gz DDUQBPHTWCVRHS-HHHXNRCGSA-N 0 0 460.578 4.299 50 0 JIAARN CCOc1ccccc1CNC(=O)C1CCN(c2cc(C)c3cc(NC(C)=O)ccc3n2)CC1 ZINC000021704181 521489043 /nfs/dbraw/zinc/48/90/43/521489043.db2.gz PUYQMJLFCQFZFF-UHFFFAOYSA-N 0 0 460.578 4.433 50 0 JIAARN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c32)C1 ZINC000008596276 521496637 /nfs/dbraw/zinc/49/66/37/521496637.db2.gz WBFZIHJBRRPLBK-LJQANCHMSA-N 0 0 475.524 4.355 50 0 JIAARN CCOc1ccccc1CNC(=O)c1c(=O)n(-c2ccc(F)cc2)cc2c1CC(C)(C)CC2=O ZINC000065000169 521497769 /nfs/dbraw/zinc/49/77/69/521497769.db2.gz QKTXLWBQNGQFGW-UHFFFAOYSA-N 0 0 462.521 4.460 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2cccc(OC)c2)cc3=O)cc1 ZINC000040484819 521502797 /nfs/dbraw/zinc/50/27/97/521502797.db2.gz CNKQWGLYWFENBZ-UHFFFAOYSA-N 0 0 496.523 4.140 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)cc1 ZINC000013944723 521509602 /nfs/dbraw/zinc/50/96/02/521509602.db2.gz FJPCBQDVUOFIJW-QGZVFWFLSA-N 0 0 453.926 4.028 50 0 JIAARN CCOC(=O)c1ccc2[nH]c(CSCC(=O)Nc3ccc(OC)c(Cl)c3)cc(=O)c2c1 ZINC000033064147 521530998 /nfs/dbraw/zinc/53/09/98/521530998.db2.gz HJVMGGDNPRFZHI-UHFFFAOYSA-N 0 0 460.939 4.239 50 0 JIAARN CCCc1nc2c(c(=O)n1CC(=O)Nc1ccccc1Cl)CCN(Cc1ccccc1)C2 ZINC000035457056 521540129 /nfs/dbraw/zinc/54/01/29/521540129.db2.gz FYDVQVCBJNUFLF-UHFFFAOYSA-N 0 0 450.970 4.046 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)CC2 ZINC000064990730 521554493 /nfs/dbraw/zinc/55/44/93/521554493.db2.gz WIABZVALMBDMCG-UHFFFAOYSA-N 0 0 473.529 4.397 50 0 JIAARN CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(C(F)(F)F)cc4)c3)c2)n1 ZINC000071768458 521576876 /nfs/dbraw/zinc/57/68/76/521576876.db2.gz QUUCYTMUZAJVCZ-UHFFFAOYSA-N 0 0 456.428 4.219 50 0 JIAARN CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C(=O)C(CC)CC)CC1 ZINC000022675439 521598573 /nfs/dbraw/zinc/59/85/73/521598573.db2.gz SCKQOCVNHCSKFL-UHFFFAOYSA-N 0 0 453.370 4.198 50 0 JIAARN CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)[C@H]2COc3ccccc3O2)sc1C ZINC000021825882 521598704 /nfs/dbraw/zinc/59/87/04/521598704.db2.gz MOXDSFDDKXBKGK-HXUWFJFHSA-N 0 0 452.532 4.044 50 0 JIAARN CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000044803723 521607994 /nfs/dbraw/zinc/60/79/94/521607994.db2.gz WPYSZAPFVLYMLR-LJQANCHMSA-N 0 0 480.012 4.247 50 0 JIAARN CCCn1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4cc(C)ccc4C)CC3)cc2sc1=O ZINC000065022308 521637197 /nfs/dbraw/zinc/63/71/97/521637197.db2.gz KTZGUQKBQCCDQD-UHFFFAOYSA-N 0 0 487.647 4.129 50 0 JIAARN CCN1CCN(C(=O)C2CCN(C(=O)c3cc4sccc4n3Cc3ccc(Cl)cc3)CC2)CC1 ZINC000020383172 521662253 /nfs/dbraw/zinc/66/22/53/521662253.db2.gz RVEVTQQNSXPGTD-UHFFFAOYSA-N 0 0 499.080 4.421 50 0 JIAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccc(F)cc2)C(=O)COc2ccccc2)cc1 ZINC000034921456 521686589 /nfs/dbraw/zinc/68/65/89/521686589.db2.gz ISHJSKRRANVSLD-UHFFFAOYSA-N 0 0 457.523 4.162 50 0 JIAARN CCN1c2ccccc2-c2nc(SCC(=O)Nc3ccc(Cl)cc3)ncc2S1(=O)=O ZINC000033039613 521730608 /nfs/dbraw/zinc/73/06/08/521730608.db2.gz PQFMNGFWMKISHN-UHFFFAOYSA-N 0 0 460.968 4.056 50 0 JIAARN CCN1c2ccccc2-c2nc(SCC(=O)Nc3c(C)cc(C)cc3C)ncc2S1(=O)=O ZINC000008673280 521730743 /nfs/dbraw/zinc/73/07/43/521730743.db2.gz HHIVEKFYBLNDIP-UHFFFAOYSA-N 0 0 468.604 4.328 50 0 JIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)CC1CC1 ZINC000036122601 521739328 /nfs/dbraw/zinc/73/93/28/521739328.db2.gz SGBLFCVCNUFKLR-OAQYLSRUSA-N 0 0 455.624 4.311 50 0 JIAARN CCc1cccc(NC(=O)Cn2c3c4cccnc4sc3c(=O)n(CCc3ccccc3)c2=O)c1 ZINC000064941998 521756174 /nfs/dbraw/zinc/75/61/74/521756174.db2.gz BGJHOBCYWJLWBC-UHFFFAOYSA-N 0 0 484.581 4.217 50 0 JIAARN COC(=O)c1c(NC(=O)c2cc(=O)c3ccccc3o2)sc2c1CCN(Cc1ccccc1)C2 ZINC000016837157 521770564 /nfs/dbraw/zinc/77/05/64/521770564.db2.gz DRXGJNWXAIUFSJ-UHFFFAOYSA-N 0 0 474.538 4.452 50 0 JIAARN COC(=O)c1c2ccc(Br)c(OCC(=O)N(C)c3ccccc3)c2sc1NC(C)=O ZINC000033113676 521792385 /nfs/dbraw/zinc/79/23/85/521792385.db2.gz DQSFPJZFJBVIEP-UHFFFAOYSA-N 0 0 491.363 4.451 50 0 JIAARN CCc1ccccc1NC(=O)CN1CCN(Cc2csc(N(C(C)=O)c3cccc(C)c3)n2)CC1 ZINC000022793990 521867983 /nfs/dbraw/zinc/86/79/83/521867983.db2.gz BHHZCYNFZUUPAP-UHFFFAOYSA-N 0 0 491.661 4.455 50 0 JIAARN COC(=O)c1cc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)cc(C(=O)OC)c1 ZINC000008595177 521891411 /nfs/dbraw/zinc/89/14/11/521891411.db2.gz MVHNRXCCSFTCCR-UHFFFAOYSA-N 0 0 457.438 4.286 50 0 JIAARN COc1c2ccoc2nc2c1ccc(OC[C@H](OC(=O)c1ccccc1)C(C)(C)O)c2OC ZINC000008964605 521892714 /nfs/dbraw/zinc/89/27/14/521892714.db2.gz YTGMVHUQLMKODT-IBGZPJMESA-N 0 0 451.475 4.374 50 0 biogenic JIAARN COc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(C(=O)C[C@@H]1NC(=O)c3ccccc31)C2 ZINC000014988848 521898549 /nfs/dbraw/zinc/89/85/49/521898549.db2.gz PDBCWUGZQACBRH-NRFANRHFSA-N 0 0 463.921 4.006 50 0 JIAARN CCc1ccccc1OCC(=O)Nc1ccccc1SCc1cc(=O)n2c(ncn2C(C)C)n1 ZINC000033014334 521918991 /nfs/dbraw/zinc/91/89/91/521918991.db2.gz NYNPGAORDQREOE-UHFFFAOYSA-N 0 0 477.590 4.344 50 0 JIAARN CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NC3CCCCCC3)n2Cc2ccccc2)c1 ZINC000046031310 521993488 /nfs/dbraw/zinc/99/34/88/521993488.db2.gz RVVISPPKECYCCZ-UHFFFAOYSA-N 0 0 453.608 4.393 50 0 JIAARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c1 ZINC000008692290 521998657 /nfs/dbraw/zinc/99/86/57/521998657.db2.gz PANDSCRSCDMVPP-UHFFFAOYSA-N 0 0 452.561 4.103 50 0 aggregator JIAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000089942373 522044195 /nfs/dbraw/zinc/04/41/95/522044195.db2.gz LDARTXSUJBKZNX-ROUUACIJSA-N 0 0 464.031 4.187 50 0 JIAARN CC[C@H](C)c1ccccc1OC(=O)CSc1nc(-c2ccc(OC)cc2)nc2cc(=O)[nH]n21 ZINC000021885439 522047128 /nfs/dbraw/zinc/04/71/28/522047128.db2.gz DYPSWAHSEJSRLW-HNNXBMFYSA-N 0 0 464.547 4.304 50 0 JIAARN COCCn1c(-c2ccccn2)nc2cc(NC(C)=O)cc(C(=O)N(C)Cc3ccc(F)cc3)c21 ZINC000014995117 522053321 /nfs/dbraw/zinc/05/33/21/522053321.db2.gz OOXZEMHMNANJKG-UHFFFAOYSA-N 0 0 475.524 4.114 50 0 JIAARN COCCn1c(=O)c2c(ncn2Cc2ccc(C(F)(F)F)cc2)n(-c2ccc(C(C)C)cc2)c1=O ZINC000034692700 522056048 /nfs/dbraw/zinc/05/60/48/522056048.db2.gz COUOZSJNYBSYIA-UHFFFAOYSA-N 0 0 486.494 4.186 50 0 JIAARN COCCn1c(=O)c2c3c(sc2nc1S[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)CCCC3 ZINC000008639824 522057138 /nfs/dbraw/zinc/05/71/38/522057138.db2.gz ILCRHPDAUJVEGT-HOTGVXAUSA-N 0 0 483.659 4.442 50 0 JIAARN CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1ccccc1C ZINC000036069571 522069325 /nfs/dbraw/zinc/06/93/25/522069325.db2.gz LDBMHEXTEPNGCA-HSZRJFAPSA-N 0 0 485.632 4.350 50 0 JIAARN COCCn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c2c3ccccc3n(C)c2c1=O ZINC000004788736 522079628 /nfs/dbraw/zinc/07/96/28/522079628.db2.gz IMDHYRNEQALNRE-UHFFFAOYSA-N 0 0 457.574 4.235 50 0 JIAARN COCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(C(=O)N2CCCC[C@H]2c2cccnc2)c1 ZINC000014976753 522080827 /nfs/dbraw/zinc/08/08/27/522080827.db2.gz NRKVDFRDNDVSCV-VWLOTQADSA-N 0 0 494.636 4.100 50 0 JIAARN COC(=O)c1ccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2Cl)cc1 ZINC000027521461 522085076 /nfs/dbraw/zinc/08/50/76/522085076.db2.gz ZCEFJILPEZXVKG-UDWIEESQSA-N 0 0 478.888 4.265 50 0 JIAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2cccc(F)c2)cc1 ZINC000009892303 522097620 /nfs/dbraw/zinc/09/76/20/522097620.db2.gz HOKVLLVHDKCBJI-HSZRJFAPSA-N 0 0 489.503 4.287 50 0 JIAARN COC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000064930831 522105171 /nfs/dbraw/zinc/10/51/71/522105171.db2.gz YDFBUGFOWKGWKE-KRWDZBQOSA-N 0 0 487.488 4.224 50 0 JIAARN COc1cc(C(=O)Nc2cc(C)ccc2OCc2cc(=O)n3cc(C)sc3n2)cc(OC)c1OC ZINC000008599209 522149391 /nfs/dbraw/zinc/14/93/91/522149391.db2.gz YTJJHKWSXGAWIL-UHFFFAOYSA-N 0 0 495.557 4.230 50 0 JIAARN CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)c2)no1 ZINC000021707859 522149673 /nfs/dbraw/zinc/14/96/73/522149673.db2.gz GTBZQYTUFNOZKD-UHFFFAOYSA-N 0 0 495.026 4.362 50 0 JIAARN CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)Nc4cc(C)cc(C)c4)CC3)c2)no1 ZINC000021707898 522150016 /nfs/dbraw/zinc/15/00/16/522150016.db2.gz FDGCIBAFBXKOQR-UHFFFAOYSA-N 0 0 474.608 4.017 50 0 JIAARN CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(Cl)cc4F)CC3)c2)no1 ZINC000021707938 522151117 /nfs/dbraw/zinc/15/11/17/522151117.db2.gz PJTINVVHPSLMDO-UHFFFAOYSA-N 0 0 498.989 4.192 50 0 JIAARN CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4F)C3)c2)no1 ZINC000033279437 522151807 /nfs/dbraw/zinc/15/18/07/522151807.db2.gz KJRWIUUQEZQXJR-GFCCVEGCSA-N 0 0 498.989 4.192 50 0 JIAARN 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COc1ccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)c5cccc(F)c5)CC4)n23)cc1 ZINC000037554481 523267590 /nfs/dbraw/zinc/26/75/90/523267590.db2.gz MTYYXUGPACJUSF-UHFFFAOYSA-N 0 0 482.519 4.055 50 0 JIAARN CCn1c2ccccc2c2cc(NC(=O)COC(=O)CCNC(=O)CCC(=O)c3ccccc3)ccc21 ZINC000016046618 523275252 /nfs/dbraw/zinc/27/52/52/523275252.db2.gz UCQFGACKLQGBIB-UHFFFAOYSA-N 0 0 499.567 4.466 50 0 JIAARN COc1ccc(-c2noc(-c3cn(CC(=O)Nc4ccccc4C)c4nc(C)ccc4c3=O)n2)cc1 ZINC000021655185 523278359 /nfs/dbraw/zinc/27/83/59/523278359.db2.gz OHXYVXNRZFPGEA-UHFFFAOYSA-N 0 0 481.512 4.378 50 0 JIAARN COc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCC(=O)N2CCCCCC2)cc1 ZINC000002720757 523309940 /nfs/dbraw/zinc/30/99/40/523309940.db2.gz RHUXQZRRIZQSCU-UHFFFAOYSA-N 0 0 462.575 4.370 50 0 JIAARN COc1ccc(-n2c(=O)c3cc(I)ccc3nc2SC(C)C)cc1 ZINC000002376530 523310093 /nfs/dbraw/zinc/31/00/93/523310093.db2.gz ZRMMFPIZWMQOIV-UHFFFAOYSA-N 0 0 452.317 4.499 50 0 JIAARN COCCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000008605092 523314814 /nfs/dbraw/zinc/31/48/14/523314814.db2.gz YHKGDZBNDTWIBK-UHFFFAOYSA-N 0 0 474.026 4.409 50 0 JIAARN CN(Cc1ccccc1)C(=O)c1cn(C[C@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O ZINC000014992887 523339736 /nfs/dbraw/zinc/33/97/36/523339736.db2.gz KUJJMNHMRJHIRB-HSZRJFAPSA-N 0 0 479.621 4.142 50 0 JIAARN CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H](N1CCc3c4ccccc4[nH]c3C1)CC2 ZINC000014732638 523342888 /nfs/dbraw/zinc/34/28/88/523342888.db2.gz GGGUJOPASCESSS-HXUWFJFHSA-N 0 0 453.590 4.089 50 0 JIAARN COc1ccc(-n2nc(C)c3sc(N4CCC[C@H](C(=O)NCc5ccccc5OC)C4)nc32)cc1 ZINC000065080622 523347895 /nfs/dbraw/zinc/34/78/95/523347895.db2.gz RKPPIRTVEXZAML-IBGZPJMESA-N 0 0 491.617 4.340 50 0 JIAARN COc1ccc(-n2nc3c(c2C)c(C)nnc3N2CCC[C@@H](C(=O)NCCc3ccc(C)cc3)C2)cc1 ZINC000008594416 523348386 /nfs/dbraw/zinc/34/83/86/523348386.db2.gz PVKQJTFLCOPDMC-HSZRJFAPSA-N 0 0 498.631 4.325 50 0 JIAARN CN(Cc1ccccc1F)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000002651048 523372104 /nfs/dbraw/zinc/37/21/04/523372104.db2.gz HCKLQSDCOWUJFB-UHFFFAOYSA-N 0 0 455.125 4.219 50 0 JIAARN CN(Cc1ccccc1N1CCOCC1)C(=O)/C=C/c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000016110853 523374705 /nfs/dbraw/zinc/37/47/05/523374705.db2.gz XGNYEVFKQAPKNS-SDNWHVSQSA-N 0 0 482.584 4.422 50 0 JIAARN COc1ccc(/C=C/C(=O)NCc2cccc(CNC(=O)/C=C\c3ccc(OC)cc3)c2)cc1 ZINC000033333862 523391748 /nfs/dbraw/zinc/39/17/48/523391748.db2.gz MKHNOZLTGLMQLE-VRNBXGKJSA-N 0 0 456.542 4.363 50 0 JIAARN COc1ccc(/C=C2/N=C(SCC(=O)NC(=O)NC(C)(C)C)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000033653921 523412191 /nfs/dbraw/zinc/41/21/91/523412191.db2.gz WGOQANGJOFQCIN-KGENOOAVSA-N 0 0 494.617 4.413 50 0 JIAARN COc1ccc(C=CC(=O)Nc2ccccc2C(=O)OCC(=O)c2cccs2)cc1OC ZINC000033574616 523431968 /nfs/dbraw/zinc/43/19/68/523431968.db2.gz LWBYIWWWKPCFDH-BENRWUELSA-N 0 0 451.500 4.457 50 0 JIAARN CCn1cc2nc(SCC(=O)Nc3ccc(C)cc3C)n(Cc3ccc(C)cc3)c(=O)c2n1 ZINC000008619155 523489670 /nfs/dbraw/zinc/48/96/70/523489670.db2.gz FVCCFYNXPSDMKJ-UHFFFAOYSA-N 0 0 461.591 4.317 50 0 JIAARN CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)Nc4ccc(C)c(F)c4)CC3)ccc21 ZINC000008609367 523493530 /nfs/dbraw/zinc/49/35/30/523493530.db2.gz ZCCRQPULTHOTNY-UHFFFAOYSA-N 0 0 458.559 4.037 50 0 aggregator JIAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCc4c[nH]c5ccc(C)cc45)C3)ccc21 ZINC000021646564 523495959 /nfs/dbraw/zinc/49/59/59/523495959.db2.gz QCORXTWMJAVGTI-QFIPXVFZSA-N 0 0 492.645 4.211 50 0 JIAARN CN(Cc1[nH]nc2c1CCCCC2)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O ZINC000012245108 523542774 /nfs/dbraw/zinc/54/27/74/523542774.db2.gz ZIQINUMRVQCHEG-LJAQVGFWSA-N 0 0 484.600 4.021 50 0 JIAARN CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(Br)cc3F)c2c1=O ZINC000048989607 523567996 /nfs/dbraw/zinc/56/79/96/523567996.db2.gz YJGIDPRKCCTJDR-UHFFFAOYSA-N 0 0 469.314 4.425 50 0 JIAARN COc1ccc(C(=O)N(CC(=O)N(Cc2ccco2)Cc2ccc3c(c2)OCO3)C(C)C)cc1 ZINC000016652732 523611479 /nfs/dbraw/zinc/61/14/79/523611479.db2.gz YPCKWILVLIOTNA-UHFFFAOYSA-N 0 0 464.518 4.097 50 0 JIAARN CC[C@]1(c2ccccc2)C(=O)N(C(=O)c2ccccc2)C(=O)N(C(=O)c2cccc(Cl)c2)C1=O ZINC000016667864 523629716 /nfs/dbraw/zinc/62/97/16/523629716.db2.gz JMYUWRCFELOZDZ-SANMLTNESA-N 0 0 474.900 4.459 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)C1CC1 ZINC000036116681 523646759 /nfs/dbraw/zinc/64/67/59/523646759.db2.gz LTRLVDFQAAVUQU-QHCPKHFHSA-N 0 0 470.635 4.261 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)c1cccc(OC)c1 ZINC000036119378 523647171 /nfs/dbraw/zinc/64/71/71/523647171.db2.gz FAKPEGOTDXLWKS-DEOSSOPVSA-N 0 0 494.613 4.050 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)c1ccc(C)cc1 ZINC000036119350 523647715 /nfs/dbraw/zinc/64/77/15/523647715.db2.gz NSQPEGRZFSWBAW-DEOSSOPVSA-N 0 0 478.614 4.350 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)c1ccc(F)cc1 ZINC000036121846 523648957 /nfs/dbraw/zinc/64/89/57/523648957.db2.gz FEZUPXXSRGONKD-HSZRJFAPSA-N 0 0 496.604 4.489 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)NC(C)C ZINC000036122178 523649098 /nfs/dbraw/zinc/64/90/98/523649098.db2.gz ZRDNDRKFJBQDTE-HSZRJFAPSA-N 0 0 487.666 4.443 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)c1cccc(OC)c1 ZINC000036119380 523649972 /nfs/dbraw/zinc/64/99/72/523649972.db2.gz FAKPEGOTDXLWKS-XMMPIXPASA-N 0 0 494.613 4.050 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)C1CCCC1 ZINC000036120332 523650942 /nfs/dbraw/zinc/65/09/42/523650942.db2.gz KLUPJVTVVCPGFF-OAQYLSRUSA-N 0 0 474.598 4.057 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3cccs3)o2)c1 ZINC000008862026 523652243 /nfs/dbraw/zinc/65/22/43/523652243.db2.gz UBJKHAKKRYLFLJ-UHFFFAOYSA-N 0 0 486.600 4.354 50 0 JIAARN COCCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C(C)C)cc1)C(=O)C1CC1 ZINC000036052058 523657232 /nfs/dbraw/zinc/65/72/32/523657232.db2.gz LKLCIWNOPALYPV-UHFFFAOYSA-N 0 0 490.604 4.495 50 0 JIAARN COc1ccc(C(=O)N2CCS[C@@]23c2cc(OC)ccc2N(Cc2ccccc2)C3=O)cc1 ZINC000036155464 523657989 /nfs/dbraw/zinc/65/79/89/523657989.db2.gz AVBATFBARCCUFV-AREMUKBSSA-N 0 0 460.555 4.293 50 0 JIAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cc(OC)ccc4OC)cc32)cc1 ZINC000064990727 523665185 /nfs/dbraw/zinc/66/51/85/523665185.db2.gz ZFNNLFUAWNTBMP-UHFFFAOYSA-N 0 0 461.518 4.237 50 0 JIAARN COc1ccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000008607346 523712705 /nfs/dbraw/zinc/71/27/05/523712705.db2.gz YFYDYCTVQAXXPI-UHFFFAOYSA-N 0 0 450.922 4.490 50 0 JIAARN CC[C@@]1(c2ccccc2)C(=O)N(C(=O)c2ccccc2)C(=O)N(C(=O)c2cccc(Cl)c2)C1=O ZINC000016667862 523747253 /nfs/dbraw/zinc/74/72/53/523747253.db2.gz JMYUWRCFELOZDZ-AREMUKBSSA-N 0 0 474.900 4.459 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4nc(CC(C)C)sc4n3)cc2)cc1 ZINC000013368244 523754198 /nfs/dbraw/zinc/75/41/98/523754198.db2.gz VEKBRFRGJDFWAP-UHFFFAOYSA-N 0 0 464.547 4.189 50 0 JIAARN COc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000016722486 523765189 /nfs/dbraw/zinc/76/51/89/523765189.db2.gz OBKNYAMGRQKVSD-HNNXBMFYSA-N 0 0 478.640 4.410 50 0 JIAARN COC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000048355604 523808021 /nfs/dbraw/zinc/80/80/21/523808021.db2.gz ODWWLIONQMIOBU-SFHVURJKSA-N 0 0 457.349 4.246 50 0 JIAARN COc1ccc(C)cc1NC(=O)CSc1nccn1-c1ccc(C(=O)NCc2ccco2)cc1 ZINC000044165923 523826825 /nfs/dbraw/zinc/82/68/25/523826825.db2.gz IMAAWSMEDMNGHE-UHFFFAOYSA-N 0 0 476.558 4.443 50 0 JIAARN COC(=O)[C@@](NNc1ccccc1C)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000002050370 523827401 /nfs/dbraw/zinc/82/74/01/523827401.db2.gz JBUJSILPWJCZQB-KRWDZBQOSA-N 0 0 450.244 4.080 50 0 JIAARN CCc1ccc(-c2ccc(-n3nc(C)c(S(=O)(=O)NCc4cccs4)c3C)nn2)cc1 ZINC000033308179 523855560 /nfs/dbraw/zinc/85/55/60/523855560.db2.gz QHCOTHVWLNOSFK-UHFFFAOYSA-N 0 0 453.593 4.049 50 0 JIAARN CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCc2ccccc21 ZINC000046027709 523862072 /nfs/dbraw/zinc/86/20/72/523862072.db2.gz CQDUVENKJDMHQY-UHFFFAOYSA-N 0 0 463.603 4.123 50 0 JIAARN CCc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000035504040 523866145 /nfs/dbraw/zinc/86/61/45/523866145.db2.gz HKCIECOCWZFJGZ-UHFFFAOYSA-N 0 0 469.314 4.290 50 0 JIAARN CCc1ccc(-n2nnc(C(=O)OCc3nc(-c4cccc(OC)c4OC)oc3C)c2C)cc1 ZINC000016841257 523868750 /nfs/dbraw/zinc/86/87/50/523868750.db2.gz BCDFBFRYCIZOKA-UHFFFAOYSA-N 0 0 462.506 4.476 50 0 JIAARN CC[C@H](C)CNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036254167 523882179 /nfs/dbraw/zinc/88/21/79/523882179.db2.gz GXYXJCHANWJQQP-UWJYYQICSA-N 0 0 453.549 4.184 50 0 JIAARN CC[C@H](C)CNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036254163 523882400 /nfs/dbraw/zinc/88/24/00/523882400.db2.gz GXYXJCHANWJQQP-LAUBAEHRSA-N 0 0 453.549 4.184 50 0 JIAARN CN1CCN(C(=O)c2coc(CN(Cc3ccccc3)Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000036072253 523885092 /nfs/dbraw/zinc/88/50/92/523885092.db2.gz WPJUHOFPVIMXBN-UHFFFAOYSA-N 0 0 472.511 4.283 50 0 JIAARN CCc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2CCCN2CCOCC2)cc1 ZINC000022955473 523898141 /nfs/dbraw/zinc/89/81/41/523898141.db2.gz NDDZYSLYMKZVSH-IBGZPJMESA-N 0 0 465.619 4.045 50 0 JIAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000002690794 523898911 /nfs/dbraw/zinc/89/89/11/523898911.db2.gz SLJLNMXUZDGIKR-UHFFFAOYSA-N 0 0 472.472 4.301 50 0 JIAARN COc1ccc(CC(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000017011882 523907063 /nfs/dbraw/zinc/90/70/63/523907063.db2.gz NMGZOQUFXXULFL-UHFFFAOYSA-N 0 0 473.924 4.153 50 0 JIAARN CC[C@H](C)N(C(=O)CSc1nc2ccccc2c(Nc2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000008720442 523907824 /nfs/dbraw/zinc/90/78/24/523907824.db2.gz HYDHDZOIVPYCMN-HKUYNNGSSA-N 0 0 484.647 4.280 50 0 JIAARN COCCNC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000002678724 523922004 /nfs/dbraw/zinc/92/20/04/523922004.db2.gz OETQZOWVOBUDEM-UHFFFAOYSA-N 0 0 457.379 4.327 50 0 JIAARN CCc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4cccnc4n(Cc4ccc(C)cc4)c3=O)C2)cc1 ZINC000033259742 523937780 /nfs/dbraw/zinc/93/77/80/523937780.db2.gz GPCIIJKNZUIQKC-RUZDIDTESA-N 0 0 495.627 4.243 50 0 JIAARN COc1ccc(CCN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)cc1OC ZINC000021863683 523947419 /nfs/dbraw/zinc/94/74/19/523947419.db2.gz ZGCFRNXPWLDGHA-MUUNZHRXSA-N 0 0 491.588 4.281 50 0 JIAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(O)c2)cc1OC ZINC000002154014 523949400 /nfs/dbraw/zinc/94/94/00/523949400.db2.gz FRHXTZLPBVCQPS-DEOSSOPVSA-N 0 0 457.482 4.304 50 0 biogenic JIAARN COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3ccccc3)C2=O)cc1OC ZINC000002129669 523949915 /nfs/dbraw/zinc/94/99/15/523949915.db2.gz MAJGPSHLVDGFLL-OUTSHDOLSA-N 0 0 495.579 4.113 50 0 biogenic JIAARN CN(C(=O)c1ccccn1)[C@H](Cc1ccccc1)C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012457001 523950582 /nfs/dbraw/zinc/95/05/82/523950582.db2.gz VQLBCHFLMHGNEW-RUZDIDTESA-N 0 0 485.584 4.089 50 0 JIAARN COc1ccc(CCN2CN(S(=O)(=O)c3ccc(C)cc3)c3nc4ccccc4nc32)cc1OC ZINC000002416847 523950728 /nfs/dbraw/zinc/95/07/28/523950728.db2.gz VDXKQMHQVQJQFJ-UHFFFAOYSA-N 0 0 490.585 4.171 50 0 JIAARN CN(C(=O)c1cccs1)[C@H](Cc1ccccc1F)C1CCN(C(=O)c2cc3ncccn3n2)CC1 ZINC000014989160 523951785 /nfs/dbraw/zinc/95/17/85/523951785.db2.gz PVDHRRQIBLYZKV-JOCHJYFZSA-N 0 0 491.592 4.166 50 0 JIAARN CCc1ccc(Cn2c3nn(Cc4ccc(Br)cc4)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946566 523953773 /nfs/dbraw/zinc/95/37/73/523953773.db2.gz MCCVYBGLRZIFEG-UHFFFAOYSA-N 0 0 495.402 4.294 50 0 JIAARN CCc1ccc(Cn2c3nn(Cc4cccc(Cl)c4)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946544 523953907 /nfs/dbraw/zinc/95/39/07/523953907.db2.gz BRCIAKZNXOVJJF-UHFFFAOYSA-N 0 0 450.951 4.185 50 0 JIAARN COc1ccc(CCNC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1OC ZINC000008609085 523961285 /nfs/dbraw/zinc/96/12/85/523961285.db2.gz HMTWVZZRPMHDRP-UHFFFAOYSA-N 0 0 477.948 4.093 50 0 JIAARN CN(C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2cccc(Cl)c2)c1=O)C1CCCCC1 ZINC000036085758 523964690 /nfs/dbraw/zinc/96/46/90/523964690.db2.gz RRRXREIIRCDMKE-UHFFFAOYSA-N 0 0 487.387 4.154 50 0 JIAARN COc1ccc(CCNC(=O)[C@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)cc1OC ZINC000045991945 523967429 /nfs/dbraw/zinc/96/74/29/523967429.db2.gz HEOBQRXNVRYBFS-SFHVURJKSA-N 0 0 474.561 4.087 50 0 JIAARN COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 ZINC000016192720 523968832 /nfs/dbraw/zinc/96/88/32/523968832.db2.gz UJVJTTIRCJFWPP-VWLOTQADSA-N 0 0 490.560 4.144 50 0 JIAARN CCc1ccc(NC(=O)Cn2c3c4cccnc4sc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000064942395 523976308 /nfs/dbraw/zinc/97/63/08/523976308.db2.gz DRIZHYQJWIVEMH-UHFFFAOYSA-N 0 0 488.544 4.161 50 0 JIAARN COc1ccc(CCn2c(N)c(C(=O)NCc3ccc(OC)cc3)c3nc4ccccc4nc32)cc1 ZINC000002291492 523986187 /nfs/dbraw/zinc/98/61/87/523986187.db2.gz CKJXBBXERDCGPD-UHFFFAOYSA-N 0 0 481.556 4.357 50 0 JIAARN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(Nc2cccc(OC)c2)n1 ZINC000037427314 523987267 /nfs/dbraw/zinc/98/72/67/523987267.db2.gz CSXJTCFDKQVFSO-OXJNMPFZSA-N 0 0 452.580 4.151 50 0 JIAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036210063 523987874 /nfs/dbraw/zinc/98/78/74/523987874.db2.gz QPRVYKSUIFNKQG-KKSFZXQISA-N 0 0 450.023 4.028 50 0 JIAARN COc1ccc(CN(C(=O)c2ccco2)C(C)C)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037420041 523990829 /nfs/dbraw/zinc/99/08/29/523990829.db2.gz GKMGZTFWBFLJDN-UHFFFAOYSA-N 0 0 486.546 4.065 50 0 JIAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)c2ccccc2F)CC1 ZINC000036210067 523995950 /nfs/dbraw/zinc/99/59/50/523995950.db2.gz JROHLCIMGDCMLT-KSFYIVLOSA-N 0 0 473.976 4.045 50 0 JIAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607329 524001098 /nfs/dbraw/zinc/00/10/98/524001098.db2.gz RFTHCUHHKXJUGE-KRWDZBQOSA-N 0 0 492.041 4.049 50 0 JIAARN COc1ccc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@H]2CCCO2)c(OC)c1C ZINC000014882858 524007798 /nfs/dbraw/zinc/00/77/98/524007798.db2.gz MUAOCCOHUGVPID-OAQYLSRUSA-N 0 0 483.638 4.102 50 0 JIAARN COc1ccc(CN(C)[C@@H](c2nnnn2-c2ccccc2C)c2ccccc2)c(OC)c1OC ZINC000016677737 524009943 /nfs/dbraw/zinc/00/99/43/524009943.db2.gz OLFHJTUSARVQCS-HSZRJFAPSA-N 0 0 459.550 4.218 50 0 JIAARN COc1ccc(CN2C(=O)CN(C3CCCCCC3)C(=O)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004099233 524019150 /nfs/dbraw/zinc/01/91/50/524019150.db2.gz RXBJKXXNYLXIGA-SANMLTNESA-N 0 0 466.578 4.347 50 0 JIAARN COc1ccc(CN2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2CC(=O)Nc2ccccc2)cc1OC ZINC000008603461 524019762 /nfs/dbraw/zinc/01/97/62/524019762.db2.gz YHLDYCIRVXUQFZ-JOCHJYFZSA-N 0 0 473.529 4.378 50 0 JIAARN COc1ccc(CN2C(=O)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1OC ZINC000009892238 524020250 /nfs/dbraw/zinc/02/02/50/524020250.db2.gz FTGNXMVWVYBGSB-NRFANRHFSA-N 0 0 477.492 4.209 50 0 JIAARN COc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccco3)c3cc(Br)ccc32)cc1OC ZINC000009190676 524021490 /nfs/dbraw/zinc/02/14/90/524021490.db2.gz VGAVLWCSTIYHOW-QHCPKHFHSA-N 0 0 486.318 4.067 50 0 JIAARN CN(C)C(=O)c1ccc(NC(=O)COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)cc1 ZINC000036060105 524024682 /nfs/dbraw/zinc/02/46/82/524024682.db2.gz MXYMNJNEUBYSKY-XSFVSMFZSA-N 0 0 452.507 4.312 50 0 JIAARN COc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OCc1ccccc1 ZINC000019889397 524032969 /nfs/dbraw/zinc/03/29/69/524032969.db2.gz GGMXJMQOSQPOLT-UHFFFAOYSA-N 0 0 487.021 4.434 50 0 JIAARN COc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)cc(C)c2)cc1OC ZINC000067216827 524053103 /nfs/dbraw/zinc/05/31/03/524053103.db2.gz FPXUWXZSFXYSDC-UHFFFAOYSA-N 0 0 495.626 4.490 50 0 JIAARN COc1ccc(CNC(=O)c2c3c(sc2NC(=O)c2cccnc2)CCCC3)cc1OC ZINC000040149012 524065198 /nfs/dbraw/zinc/06/51/98/524065198.db2.gz VESKJNILVPPYKT-UHFFFAOYSA-N 0 0 451.548 4.221 50 0 JIAARN CCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1 ZINC000033129768 524066235 /nfs/dbraw/zinc/06/62/35/524066235.db2.gz LBHBOQDWQVDBJV-UHFFFAOYSA-N 0 0 455.624 4.078 50 0 JIAARN COc1ccc(CNC(=O)c2cccc(NC(=O)c3nnc(COc4ccc(F)cc4)s3)c2)cc1 ZINC000033027655 524067336 /nfs/dbraw/zinc/06/73/36/524067336.db2.gz AHXMOJUBXWZGNJ-UHFFFAOYSA-N 0 0 492.532 4.447 50 0 JIAARN Cc1ccc2nsnc2c1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020507001 524086169 /nfs/dbraw/zinc/08/61/69/524086169.db2.gz GYFMCAHBGHDOHY-UHFFFAOYSA-N 0 0 464.616 4.096 50 0 JIAARN Cc1cccc(-c2cc(C(=O)NCCN3CCOCC3)c3cc(Br)ccc3n2)c1 ZINC000020408396 524105527 /nfs/dbraw/zinc/10/55/27/524105527.db2.gz ZBMQEYTZHLJOHS-UHFFFAOYSA-N 0 0 454.368 4.035 50 0 JIAARN Cc1ccc(C)c(Cn2nc3n(c4ccsc4c(=O)n3Cc3ccc(Cl)cc3)c2=O)c1 ZINC000064946447 524113811 /nfs/dbraw/zinc/11/38/11/524113811.db2.gz HPOAVLQMNNDQJW-UHFFFAOYSA-N 0 0 450.951 4.239 50 0 JIAARN Cc1cccc(-c2nc(C3CCN(C(=O)[C@H]4CC(=O)N(c5cccc(Cl)c5)C4)CC3)no2)c1 ZINC000033139578 524118655 /nfs/dbraw/zinc/11/86/55/524118655.db2.gz HUOZAZZJBRRLRP-IBGZPJMESA-N 0 0 464.953 4.458 50 0 JIAARN COc1cccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054419 524122789 /nfs/dbraw/zinc/12/27/89/524122789.db2.gz WDMCYGJXRNSMDU-BJKOFHAPSA-N 0 0 476.548 4.324 50 0 JIAARN COc1ccc(C[C@@]2(CCC(=O)NCc3csc(Cc4ccccc4)n3)CCC(=O)N2)cc1 ZINC000014986806 524144951 /nfs/dbraw/zinc/14/49/51/524144951.db2.gz DYKRIDUIESBTIO-AREMUKBSSA-N 0 0 463.603 4.030 50 0 JIAARN Cc1cccc(-n2nnnc2SCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c1C ZINC000021762045 524148800 /nfs/dbraw/zinc/14/88/00/524148800.db2.gz LOFRLSDOSVDNDW-UHFFFAOYSA-N 0 0 458.522 4.410 50 0 JIAARN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)c1 ZINC000033259236 524153360 /nfs/dbraw/zinc/15/33/60/524153360.db2.gz SNJPTNJXRIEXFS-JOCHJYFZSA-N 0 0 467.573 4.312 50 0 JIAARN Cc1cc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cc(S(N)(=O)=O)c1C ZINC000016297884 524170477 /nfs/dbraw/zinc/17/04/77/524170477.db2.gz MPXMZPZYIPENCQ-UHFFFAOYSA-N 0 0 460.502 4.395 50 0 JIAARN COc1ccc(Cl)c(-c2noc3ncn(CCC(=O)Nc4ccc(C)cc4C)c(=O)c32)c1 ZINC000033250034 524173885 /nfs/dbraw/zinc/17/38/85/524173885.db2.gz BGIUGBCIEWOHEF-UHFFFAOYSA-N 0 0 452.898 4.359 50 0 JIAARN COc1cccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3cccc4cc(C)cnc43)CC2)c1 ZINC000040040041 524174794 /nfs/dbraw/zinc/17/47/94/524174794.db2.gz AJGWESBRLBVFJW-XMMPIXPASA-N 0 0 493.629 4.316 50 0 JIAARN COc1cccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c1 ZINC000036345634 524174838 /nfs/dbraw/zinc/17/48/38/524174838.db2.gz OCLKMHBSZWJSDT-GDLZYMKVSA-N 0 0 482.628 4.499 50 0 JIAARN Cc1cc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c(C)n1Cc1ccccc1 ZINC000027029786 524178144 /nfs/dbraw/zinc/17/81/44/524178144.db2.gz IZKFXURHFSGCPI-UHFFFAOYSA-N 0 0 463.559 4.477 50 0 JIAARN COc1cccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000036060267 524180797 /nfs/dbraw/zinc/18/07/97/524180797.db2.gz SWFIPNNBWMYDAD-DHIUTWEWSA-N 0 0 492.959 4.250 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccc(Cl)cc2)c1 ZINC000064972463 524190432 /nfs/dbraw/zinc/19/04/32/524190432.db2.gz CYAWDEOTRRHSOU-QHCPKHFHSA-N 0 0 469.006 4.389 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000033254101 524194708 /nfs/dbraw/zinc/19/47/08/524194708.db2.gz DZFNBDZKHWHJTA-HXUWFJFHSA-N 0 0 471.623 4.115 50 0 JIAARN COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000016292392 524214985 /nfs/dbraw/zinc/21/49/85/524214985.db2.gz ZSSIUMNWRIPRTJ-UHFFFAOYSA-N 0 0 458.967 4.169 50 0 JIAARN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC2)s1 ZINC000008912664 524221183 /nfs/dbraw/zinc/22/11/83/524221183.db2.gz RUFIXNZTFUQCRQ-UHFFFAOYSA-N 0 0 453.612 4.266 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3C(=O)N[C@@]4(CCCCc5ccccc54)C3=O)[C@@H](c3ccco3)C2)cc1 ZINC000014122643 524230791 /nfs/dbraw/zinc/23/07/91/524230791.db2.gz KEMKPKDLVBDGPD-FUFSCUOVSA-N 0 0 496.567 4.439 50 0 JIAARN COc1ccc(Cl)cc1Nc1nc(N)nc(CC(=O)CSc2nc3ccccc3s2)n1 ZINC000002358182 524245345 /nfs/dbraw/zinc/24/53/45/524245345.db2.gz XNBNFUBVGPWWHZ-UHFFFAOYSA-N 0 0 472.983 4.373 50 0 JIAARN C[C@H](CCc1ccccc1)Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC000040156660 524249713 /nfs/dbraw/zinc/24/97/13/524249713.db2.gz DBHMSUUDBBDSAD-LJQANCHMSA-N 0 0 493.654 4.400 50 0 JIAARN COc1cccc2cc(-c3nc(=O)c4c(C)c(C(=O)Nc5ccccc5)sc4[nH]3)c(=O)oc21 ZINC000020489102 524255869 /nfs/dbraw/zinc/25/58/69/524255869.db2.gz IYXZOTIXWNLTLF-UHFFFAOYSA-N 0 0 459.483 4.327 50 0 JIAARN Cc1cc(C)c(NC(=O)Cn2c(=O)cc(C(=O)NCc3ccccc3)c3ccccc32)c(C)c1 ZINC000012445110 524291722 /nfs/dbraw/zinc/29/17/22/524291722.db2.gz FGSVYYREXDSLJB-UHFFFAOYSA-N 0 0 453.542 4.495 50 0 biogenic,in-vitro JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1C ZINC000064940834 524317486 /nfs/dbraw/zinc/31/74/86/524317486.db2.gz USMDEWKJZJPNIH-GOSISDBHSA-N 0 0 474.583 4.381 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)c(C)c1 ZINC000046124354 524318886 /nfs/dbraw/zinc/31/88/86/524318886.db2.gz OEQVFOBJOUMTEJ-KRWDZBQOSA-N 0 0 488.610 4.423 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3cccs3)n2)cc1C ZINC000013354781 524319860 /nfs/dbraw/zinc/31/98/60/524319860.db2.gz HYCXJDIAORLSTE-QGZVFWFLSA-N 0 0 493.701 4.177 50 0 JIAARN COc1ccccc1/N=c1\oc2c(Br)cc(Br)cc2cc1C(N)=O ZINC000013943089 524328325 /nfs/dbraw/zinc/32/83/25/524328325.db2.gz RMYRJIVTMXODEW-FXBPSFAMSA-N 0 0 452.102 4.298 50 0 JIAARN Cc1cc(C)c2c(n1)sc1c2nc(C)n(CC(=O)Nc2ccc(Br)cc2)c1=O ZINC000049004074 524351051 /nfs/dbraw/zinc/35/10/51/524351051.db2.gz JKSCKFNJQXAXNV-UHFFFAOYSA-N 0 0 457.353 4.333 50 0 JIAARN Cc1cc(C)cc(-n2nc(C(=O)N[C@H](C)c3ccccc3)c(=O)n(Cc3cccc(Cl)c3)c2=O)c1 ZINC000036094046 524358413 /nfs/dbraw/zinc/35/84/13/524358413.db2.gz RLYNZDIEFZGUCG-LJQANCHMSA-N 0 0 488.975 4.204 50 0 JIAARN COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000008596769 524363957 /nfs/dbraw/zinc/36/39/57/524363957.db2.gz USFSVYQHJHRRBM-UHFFFAOYSA-N 0 0 463.943 4.096 50 0 JIAARN COc1ccccc1CCC(=O)N(Cc1cc2cc3c(cc2nc1N(C)C)OCO3)C[C@H]1CCCO1 ZINC000020363280 524392527 /nfs/dbraw/zinc/39/25/27/524392527.db2.gz BPZXSWKZKVKECZ-JOCHJYFZSA-N 0 0 491.588 4.179 50 0 JIAARN COc1ccc(N2C(=O)[C@@H]3C[C@H]2CN3C(=O)Cc2csc(-c3ccccc3)n2)cc1Cl ZINC000014987650 524394683 /nfs/dbraw/zinc/39/46/83/524394683.db2.gz HXWQJWYPVOESCJ-HKUYNNGSSA-N 0 0 453.951 4.031 50 0 JIAARN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2C(F)(F)F)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 ZINC000020436959 524406627 /nfs/dbraw/zinc/40/66/27/524406627.db2.gz GXKGXWHDXAUBAE-MOPGFXCFSA-N 0 0 497.564 4.036 50 0 JIAARN Cc1cc(C)cc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 ZINC000020436948 524407940 /nfs/dbraw/zinc/40/79/40/524407940.db2.gz VZISMKUWDOJRMM-RTBURBONSA-N 0 0 497.564 4.036 50 0 JIAARN Cc1cc(C)cc(NC(=O)C2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)c1 ZINC000033258868 524416747 /nfs/dbraw/zinc/41/67/47/524416747.db2.gz GRKHBWDXKFIMIN-UHFFFAOYSA-N 0 0 467.573 4.312 50 0 JIAARN Cc1ccc(CN(CCc2ccccc2)CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000016397164 524418027 /nfs/dbraw/zinc/41/80/27/524418027.db2.gz QMCQTRIUJSMSBW-HSZRJFAPSA-N 0 0 474.692 4.060 50 0 JIAARN COc1ccccc1CCNC(=O)[C@H]1CCN(c2cc3oc4ccccc4c3cc2OC)C1=O ZINC000034696268 524418067 /nfs/dbraw/zinc/41/80/67/524418067.db2.gz JVHFHZPHLBMLTB-LJQANCHMSA-N 0 0 458.514 4.315 50 0 JIAARN 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NDJILFUCNQXNRF-JOCHJYFZSA-N 0 0 464.522 4.161 50 0 JIAARN O=C(Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000067219207 527416716 /nfs/dbraw/zinc/41/67/16/527416716.db2.gz IIPKKXPRNUEPSN-UHFFFAOYSA-N 0 0 481.299 4.159 50 0 JIAARN O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)NCc1cccs1 ZINC000008610974 527423404 /nfs/dbraw/zinc/42/34/04/527423404.db2.gz ZMQPGTNQKGIRLV-UHFFFAOYSA-N 0 0 462.962 4.431 50 0 JIAARN O=c1/c(=C\c2cccnc2)sc2n1[C@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 ZINC000008637269 527432818 /nfs/dbraw/zinc/43/28/18/527432818.db2.gz PAZFMCSORGMFAB-MGSPXPDISA-N 0 0 455.970 4.367 50 0 JIAARN O=C(Nc1ccccc1OCc1cc(=O)n2ccccc2n1)c1cccc(Br)c1 ZINC000008619604 527433662 /nfs/dbraw/zinc/43/36/62/527433662.db2.gz IGOJHKRAWMMJTA-UHFFFAOYSA-N 0 0 450.292 4.288 50 0 JIAARN O=c1[nH]c(CN(C[C@H](O)COc2ccccc2)C2CCCCC2)nc2sc3c(c21)CCC3 ZINC000036159822 527436100 /nfs/dbraw/zinc/43/61/00/527436100.db2.gz LNYXCZSEHXTNER-SFHVURJKSA-N 0 0 453.608 4.048 50 0 JIAARN O=c1nc(CN[C@H](CN2CCOCC2)c2ccccc2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000022810672 527437706 /nfs/dbraw/zinc/43/77/06/527437706.db2.gz GTMQQKKFHFBMJB-OAQYLSRUSA-N 0 0 481.021 4.468 50 0 JIAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccccc1OCc1cccc(C)c1)CC(=O)N2 ZINC000021726294 527532380 /nfs/dbraw/zinc/53/23/80/527532380.db2.gz XRUJFONPPWTFSK-NRFANRHFSA-N 0 0 479.544 4.288 50 0 JIAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccccc1OCc1ccccc1F)CC(=O)N2 ZINC000021726313 527532406 /nfs/dbraw/zinc/53/24/06/527532406.db2.gz YGSKVTYKDUKXAE-LJQANCHMSA-N 0 0 483.507 4.119 50 0 JIAARN O=C(Nc1nnc(C2CC2)s1)c1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000017193885 527534747 /nfs/dbraw/zinc/53/47/47/527534747.db2.gz FHXSTCRXTCGWAL-UHFFFAOYSA-N 0 0 464.366 4.263 50 0 JIAARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3F)co2)s1)c1cccs1 ZINC000016047914 527536415 /nfs/dbraw/zinc/53/64/15/527536415.db2.gz HHSBJDPTQOFIDR-UHFFFAOYSA-N 0 0 489.531 4.456 50 0 JIAARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3c(F)cccc3Cl)co2)s1)C1CC1 ZINC000016047834 527536468 /nfs/dbraw/zinc/53/64/68/527536468.db2.gz BNBAXRZQTAAWST-UHFFFAOYSA-N 0 0 481.914 4.144 50 0 JIAARN Cc1nn(-c2ccccc2)c(N2CCC(C(=O)NCCc3cccs3)CC2)c1NC(=O)C(C)C ZINC000033069426 527547754 /nfs/dbraw/zinc/54/77/54/527547754.db2.gz YLOQDPVWALKYAP-UHFFFAOYSA-N 0 0 479.650 4.412 50 0 JIAARN O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000043942508 527608495 /nfs/dbraw/zinc/60/84/95/527608495.db2.gz KKBVCILCZYFPFR-UHFFFAOYSA-N 0 0 473.451 4.059 50 0 JIAARN O=C(/C=C\c1ccccc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F ZINC000033504877 527658062 /nfs/dbraw/zinc/65/80/62/527658062.db2.gz VOGOFDKNCHHMCQ-FLIBITNWSA-N 0 0 454.470 4.064 50 0 JIAARN FC(F)(F)c1cccc(N2CCN(c3c4c(nc5nc(-c6ccco6)nn53)CCC4)CC2)c1 ZINC000046022719 527685423 /nfs/dbraw/zinc/68/54/23/527685423.db2.gz QAUIKJYEAGUJGM-UHFFFAOYSA-N 0 0 454.456 4.218 50 0 JIAARN COCCCN1C(=O)C(Nc2ccc(F)cc2)=C(Sc2ccc(NC(=O)c3ccco3)cc2)C1=O ZINC000096290134 536539261 /nfs/dbraw/zinc/53/92/61/536539261.db2.gz PLHQKLCUIHCQJJ-UHFFFAOYSA-N 0 0 495.532 4.492 50 0 JIAARN COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000102842236 536729217 /nfs/dbraw/zinc/72/92/17/536729217.db2.gz MKVKUCLVLAUIQG-FDFHNCONSA-N 0 0 480.879 4.317 50 0 JIAARN COc1ccc(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000102898305 536781682 /nfs/dbraw/zinc/78/16/82/536781682.db2.gz SJANZDIUTBZXRJ-SQJMNOBHSA-N 0 0 462.889 4.438 50 0 JIAARN COc1ccc(CN(C[C@@H]2CCCO2)C(C)=O)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000096288115 536857691 /nfs/dbraw/zinc/85/76/91/536857691.db2.gz ZWNGBTKAVNCDCH-INIZCTEOSA-N 0 0 488.389 4.297 50 0 JIAARN COc1ccccc1N(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)/C=C\c1ccccc1 ZINC000096513923 537058516 /nfs/dbraw/zinc/05/85/16/537058516.db2.gz PRYMHFJOKQDDDR-YPKPFQOOSA-N 0 0 458.486 4.419 50 0 JIAARN COc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3cc(C)cc(C)c3)CC2)c1 ZINC000096322649 537125098 /nfs/dbraw/zinc/12/50/98/537125098.db2.gz JFDIZABHXPFSIB-UHFFFAOYSA-N 0 0 485.631 4.137 50 0 JIAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000000623060 553712059 /nfs/dbraw/zinc/71/20/59/553712059.db2.gz ZJIMRWMWAVYABN-UHFFFAOYSA-N 0 0 458.543 4.360 50 0 JIAARN COc1ccc(C2=N/C(=C/c3cc(I)c(OC(C)C)c(OC)c3)C(=O)O2)cc1 ZINC000000623270 553712253 /nfs/dbraw/zinc/71/22/53/553712253.db2.gz ATTJVCLWYYPEPM-LICLKQGHSA-N 0 0 493.297 4.440 50 0 JIAARN CC(=O)Nc1ccc(C(=O)N=c2sc3c(n2CC(=O)c2ccc(F)cc2)CCCC3)cc1 ZINC000000624175 553713161 /nfs/dbraw/zinc/71/31/61/553713161.db2.gz DAWLIKHGJIQGFK-PNHLSOANSA-N 0 0 451.523 4.150 50 0 JIAARN CCOC(=O)c1cc(C(=O)c2ccc(I)cc2)n2cnc3ccccc3c12 ZINC000000626870 553715041 /nfs/dbraw/zinc/71/50/41/553715041.db2.gz HVKWAIGEFBUICR-UHFFFAOYSA-N 0 0 470.266 4.500 50 0 JIAARN CCCc1c(C)c2ccc(OC(=O)[C@@H](CCC)NS(=O)(=O)c3ccc(C)cc3)cc2oc1=O ZINC000000627627 553715538 /nfs/dbraw/zinc/71/55/38/553715538.db2.gz NRUPTTMVFRIDQH-JOCHJYFZSA-N 0 0 471.575 4.415 50 0 JIAARN COc1ccc(N(CC(=O)Nc2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000000628849 553716494 /nfs/dbraw/zinc/71/64/94/553716494.db2.gz XCEVXSCPTXNHGZ-UHFFFAOYSA-N 0 0 487.965 4.141 50 0 JIAARN Cn1c2nc(SCc3c(F)cccc3Cl)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000000629288 553716621 /nfs/dbraw/zinc/71/66/21/553716621.db2.gz SMIULANCHDXTIR-UHFFFAOYSA-N 0 0 479.364 4.220 50 0 JIAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3)NC[C@@H]1CCCO1 ZINC000000630241 553717206 /nfs/dbraw/zinc/71/72/06/553717206.db2.gz ULOFFUPWELRQFL-KRWDZBQOSA-N 0 0 469.632 4.103 50 0 JIAARN COc1ccc(CCNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc1 ZINC000000632154 553718781 /nfs/dbraw/zinc/71/87/81/553718781.db2.gz GQTNDOKCBHXGST-UHFFFAOYSA-N 0 0 491.638 4.396 50 0 JIAARN CCOC(=O)c1sc(NC(=O)COc2ccc(C)cc2Br)c(C(=O)OCC)c1C ZINC000000633811 553719662 /nfs/dbraw/zinc/71/96/62/553719662.db2.gz MBLMBLLTEUHDRE-UHFFFAOYSA-N 0 0 484.368 4.498 50 0 JIAARN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000000642343 553724398 /nfs/dbraw/zinc/72/43/98/553724398.db2.gz FUICWGAXARPFGM-GOSISDBHSA-N 0 0 451.596 4.445 50 0 JIAARN COc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4cccs4)nn32)c(OC)c1 ZINC000000645575 553726637 /nfs/dbraw/zinc/72/66/37/553726637.db2.gz GEDHCCCKYLFTCX-NRFANRHFSA-N 0 0 474.546 4.346 50 0 JIAARN COc1ccc(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1OC ZINC000000652548 553733401 /nfs/dbraw/zinc/73/34/01/553733401.db2.gz PLFXGWHFTAVBHR-UHFFFAOYSA-N 0 0 460.939 4.191 50 0 JIAARN COc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1I ZINC000000661813 553739880 /nfs/dbraw/zinc/73/98/80/553739880.db2.gz JVKAKQWHPYOHQO-RIYZIHGNSA-N 0 0 454.651 4.051 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)c4ccccc4)cc3C2=O)cc1 ZINC000000670107 553744786 /nfs/dbraw/zinc/74/47/86/553744786.db2.gz ARTUCIMBQZXNQL-MRXNPFEDSA-N 0 0 471.465 4.092 50 0 JIAARN COc1cc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCCCC4)c3N2)cc(OC)c1OC ZINC000000675073 553749004 /nfs/dbraw/zinc/74/90/04/553749004.db2.gz HGICTDPBHSPKRK-MAUKXSAKSA-N 0 0 468.476 4.195 50 0 JIAARN CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc3ccccc3c2)cc1Br ZINC000000675547 553749277 /nfs/dbraw/zinc/74/92/77/553749277.db2.gz SSARAOHVKXASDW-UHFFFAOYSA-N 0 0 462.321 4.269 50 0 JIAARN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(OC)c1O ZINC000000680439 553753247 /nfs/dbraw/zinc/75/32/47/553753247.db2.gz RYQMRCNCRFLTLS-SJJVXOANSA-N 0 0 496.588 4.042 50 0 JIAARN CSc1nnc2c(n1)O[C@H](c1cc3c(cc1Br)OCO3)N(C(C)=O)c1ccccc1-2 ZINC000000683373 553754967 /nfs/dbraw/zinc/75/49/67/553754967.db2.gz FDZSMADTOHEHOR-LJQANCHMSA-N 0 0 487.335 4.196 50 0 JIAARN CSc1nnc2c(n1)O[C@@H](c1cc3c(cc1Br)OCO3)N(C(C)=O)c1ccccc1-2 ZINC000000683372 553754990 /nfs/dbraw/zinc/75/49/90/553754990.db2.gz FDZSMADTOHEHOR-IBGZPJMESA-N 0 0 487.335 4.196 50 0 JIAARN CCOc1cc([C@H]2NC(=S)N=C(C)C2C(=O)OC)cc(Br)c1OCc1ccccc1 ZINC000000683690 553755031 /nfs/dbraw/zinc/75/50/31/553755031.db2.gz UMXKUXLDHNCZTP-LJQANCHMSA-N 0 0 491.407 4.393 50 0 JIAARN CCC(=O)Oc1c(OC)cccc1[C@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC ZINC000000684385 553755558 /nfs/dbraw/zinc/75/55/58/553755558.db2.gz QUVJRRBDCYEGFJ-HSZRJFAPSA-N 0 0 480.546 4.419 50 0 JIAARN COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)C1(C(C)=O)c3ccccc3C2c2ccccc21 ZINC000000687238 553756853 /nfs/dbraw/zinc/75/68/53/553756853.db2.gz XOOMMFUXTUNRRN-ZOVQAKDCSA-N 0 0 457.913 4.488 50 0 JIAARN CCOc1c(I)cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000000686793 553756856 /nfs/dbraw/zinc/75/68/56/553756856.db2.gz VBQANRCSMPSNHY-LICLKQGHSA-N 0 0 492.313 4.100 50 0 JIAARN CSc1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3cccc(C)c3)n2C)c1 ZINC000000687361 553757039 /nfs/dbraw/zinc/75/70/39/553757039.db2.gz MYRWGOHIAZVEAE-HNNXBMFYSA-N 0 0 455.609 4.067 50 0 JIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Oc2ccc(I)cc2)CC1 ZINC000000689018 553758665 /nfs/dbraw/zinc/75/86/65/553758665.db2.gz LOVLTKNEWMIZDI-HNNXBMFYSA-N 0 0 484.765 4.369 50 0 JIAARN O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1sc2ccccc2c1Cl ZINC000000692112 553759108 /nfs/dbraw/zinc/75/91/08/553759108.db2.gz ZQGDYHQRCNDDFB-AWEZNQCLSA-N 0 0 450.969 4.264 50 0 JIAARN CN(C[C@H](COc1ccccc1)OC(=O)c1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc21 ZINC000000707737 553764636 /nfs/dbraw/zinc/76/46/36/553764636.db2.gz BFJBVTRDFMBLND-HXUWFJFHSA-N 0 0 484.961 4.025 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000000709971 553765889 /nfs/dbraw/zinc/76/58/89/553765889.db2.gz CHGJPBDCOROFJN-UHFFFAOYSA-N 0 0 483.597 4.011 50 0 JIAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]12 ZINC000000713919 553767749 /nfs/dbraw/zinc/76/77/49/553767749.db2.gz SOEBERCJCTWLMN-OHTDUKGKSA-N 0 0 467.521 4.059 50 0 JIAARN COC(=O)C(CC(=O)c1ccc(Br)cc1)(Cc1ccc(Br)cc1)C(=O)OC ZINC000000717933 553769763 /nfs/dbraw/zinc/76/97/63/553769763.db2.gz NCESUPIPKMXPOE-UHFFFAOYSA-N 0 0 498.167 4.360 50 0 JIAARN Cc1ccc(-n2c(-c3ccc(Cl)cc3)cn3c4c(nc32)n(C)c(=O)n(C)c4=O)cc1Br ZINC000000719769 553771499 /nfs/dbraw/zinc/77/14/99/553771499.db2.gz RKOVZBDFFKGHGM-UHFFFAOYSA-N 0 0 498.768 4.067 50 0 JIAARN O=C1OC(c2ccc(I)cc2)=N/C1=C/c1cc2c(cc1Br)OCO2 ZINC000000725936 553774034 /nfs/dbraw/zinc/77/40/34/553774034.db2.gz RARWFBQINCKBEI-WLRTZDKTSA-N 0 0 498.070 4.127 50 0 JIAARN O=C(N1CCN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)CC1)C(F)(F)F ZINC000000755242 553777508 /nfs/dbraw/zinc/77/75/08/553777508.db2.gz SFPPDQABZNEAMY-UHFFFAOYSA-N 0 0 465.273 4.270 50 0 JIAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000000780358 553779096 /nfs/dbraw/zinc/77/90/96/553779096.db2.gz LWGWUCIEISGMHO-XMMPIXPASA-N 0 0 450.560 4.066 50 0 JIAARN COc1cccc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000827524 553788880 /nfs/dbraw/zinc/78/88/80/553788880.db2.gz FCFOZHGMWBJEAS-UHFFFAOYSA-N 0 0 454.548 4.155 50 0 JIAARN COc1ccc(CNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000000829800 553790023 /nfs/dbraw/zinc/79/00/23/553790023.db2.gz BEHQKDRIDUPCQR-UHFFFAOYSA-N 0 0 458.967 4.169 50 0 JIAARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccccc2)C(Cl)(Cl)Cl)cc1OC ZINC000000836931 553792067 /nfs/dbraw/zinc/79/20/67/553792067.db2.gz IUGTVPDXUCRGTR-INIZCTEOSA-N 0 0 462.786 4.117 50 0 JIAARN COc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4cccs4)c3n2)cc(OC)c1OC ZINC000000862897 553802978 /nfs/dbraw/zinc/80/29/78/553802978.db2.gz SDYQFQGROXTWEI-UHFFFAOYSA-N 0 0 492.479 4.432 50 0 JIAARN CC1(C)C[C@@H](n2c(SCC(N)=O)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)CCO1 ZINC000000865030 553804099 /nfs/dbraw/zinc/80/40/99/553804099.db2.gz DIAFGBQMOMEFCJ-SFHVURJKSA-N 0 0 467.635 4.376 50 0 JIAARN COc1cc(-c2nnc(SCC(=O)Nc3cccc4ccccc43)n2C)cc(OC)c1OC ZINC000000873203 553811063 /nfs/dbraw/zinc/81/10/63/553811063.db2.gz OIALYBFXADGOQV-UHFFFAOYSA-N 0 0 464.547 4.392 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC ZINC000000879954 553816567 /nfs/dbraw/zinc/81/65/67/553816567.db2.gz BYKRBLYRQKWIHJ-MHZLTWQESA-N 0 0 476.598 4.451 50 0 biogenic JIAARN Cc1nn(C)cc1CNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000000884680 553822788 /nfs/dbraw/zinc/82/27/88/553822788.db2.gz LXSVPCRFEUCQFU-RDJZCZTQSA-N 0 0 452.868 4.169 50 0 JIAARN CC(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Br)cc3)c2)cc1 ZINC000000888083 553826389 /nfs/dbraw/zinc/82/63/89/553826389.db2.gz ZALLIZWARUGVHE-UHFFFAOYSA-N 0 0 494.388 4.285 50 0 JIAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1C ZINC000000907041 553839360 /nfs/dbraw/zinc/83/93/60/553839360.db2.gz CGTYCVKLXKOWEW-UHFFFAOYSA-N 0 0 456.641 4.370 50 0 JIAARN CCOC(=O)[C@@H](CC)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(OC)cc1 ZINC000000907130 553839703 /nfs/dbraw/zinc/83/97/03/553839703.db2.gz UWUYKFMVTHQIOF-GOSISDBHSA-N 0 0 473.624 4.409 50 0 JIAARN CC1=C(C(N)=O)[C@@H](c2cccc(OCc3ccccc3)c2)N2NC(c3ccccc3Cl)=NC2=N1 ZINC000000940715 553876395 /nfs/dbraw/zinc/87/63/95/553876395.db2.gz ABLVWEYQALTINB-HSZRJFAPSA-N 0 0 471.948 4.356 50 0 JIAARN Cc1ccc(NC2=C(Cl)C(=O)N(c3ccc(I)cc3)C2=O)c(C)c1 ZINC000000947626 553879677 /nfs/dbraw/zinc/87/96/77/553879677.db2.gz KTRXEDSLPFEVCZ-UHFFFAOYSA-N 0 0 452.679 4.344 50 0 JIAARN O=C(Nc1ccc(I)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000949247 553880251 /nfs/dbraw/zinc/88/02/51/553880251.db2.gz JLCIULMFBRIDJK-UHFFFAOYSA-N 0 0 484.359 4.108 50 0 JIAARN COc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccccc4)nn32)cc1OC ZINC000000949743 553880435 /nfs/dbraw/zinc/88/04/35/553880435.db2.gz JKYWLYABXSTKJV-HSZRJFAPSA-N 0 0 468.517 4.285 50 0 JIAARN O=S(=O)(c1ccc(I)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000000950258 553880794 /nfs/dbraw/zinc/88/07/94/553880794.db2.gz MYGDDHSRMQHMOJ-UHFFFAOYSA-N 0 0 497.185 4.109 50 0 JIAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)Nc1ccc(F)c(Cl)c1 ZINC000000950529 553881019 /nfs/dbraw/zinc/88/10/19/553881019.db2.gz AXLJQZJSUSIGKI-UHFFFAOYSA-N 0 0 480.879 4.113 50 0 JIAARN Cc1cc(Br)cc(C)c1OCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000000955084 553883267 /nfs/dbraw/zinc/88/32/67/553883267.db2.gz RYZUHIUPEGBTTE-UHFFFAOYSA-N 0 0 469.382 4.097 50 0 JIAARN CCOc1ccc([C@H]2NC(=S)NC(c3ccccc3)=C2C(=O)Nc2ccccn2)cc1OC ZINC000000956708 553884301 /nfs/dbraw/zinc/88/43/01/553884301.db2.gz FVBFFPZEXAXQSN-HSZRJFAPSA-N 0 0 460.559 4.058 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1cnc3sc(CC)cc3c1=O)C[C@@H](C)CC2 ZINC000000958871 553885033 /nfs/dbraw/zinc/88/50/33/553885033.db2.gz KWIOTCYJPPEFBK-LBPRGKRZSA-N 0 0 459.593 4.022 50 0 JIAARN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000959476 553885427 /nfs/dbraw/zinc/88/54/27/553885427.db2.gz AEOMWXPECRBANG-OAQYLSRUSA-N 0 0 476.554 4.333 50 0 JIAARN COc1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)c(OC)c1 ZINC000000960030 553886428 /nfs/dbraw/zinc/88/64/28/553886428.db2.gz IQUFOLAVJGRBRF-UHFFFAOYSA-N 0 0 491.931 4.387 50 0 JIAARN CCc1ccccc1N(CC(=O)Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 ZINC000000972387 553887726 /nfs/dbraw/zinc/88/77/26/553887726.db2.gz XJLNDRDILXVFCP-UHFFFAOYSA-N 0 0 454.548 4.100 50 0 JIAARN COc1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1OC ZINC000000972172 553887777 /nfs/dbraw/zinc/88/77/77/553887777.db2.gz CLQQITPJBOEENB-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN CCOc1ccccc1N(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000000972120 553887833 /nfs/dbraw/zinc/88/78/33/553887833.db2.gz DFWYGGVHKKLTDX-UHFFFAOYSA-N 0 0 454.548 4.236 50 0 JIAARN CCS(=O)(=O)c1c2cc(C(C)(C)C)ccn2c(C(=O)c2ccc(OC)cc2)c1S(=O)(=O)CC ZINC000000974364 553888448 /nfs/dbraw/zinc/88/84/48/553888448.db2.gz CMJBYZJQCBYLQY-UHFFFAOYSA-N 0 0 491.631 4.064 50 0 JIAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)CC1 ZINC000000987048 553893735 /nfs/dbraw/zinc/89/37/35/553893735.db2.gz ZUSZZHJSLQDVPN-UHFFFAOYSA-N 0 0 451.386 4.051 50 0 JIAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccc(C)cc1 ZINC000001061415 553902815 /nfs/dbraw/zinc/90/28/15/553902815.db2.gz IAUBYGXGGAMWDT-UHFFFAOYSA-N 0 0 464.587 4.092 50 0 JIAARN Cc1ccc(-c2nnc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c3ccccc32)cc1 ZINC000001112449 553909709 /nfs/dbraw/zinc/90/97/09/553909709.db2.gz NBZAAOKSOIGIQA-UHFFFAOYSA-N 0 0 458.587 4.425 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCC3)s2)cc1 ZINC000001121302 553911948 /nfs/dbraw/zinc/91/19/48/553911948.db2.gz BENYOWNXPWTMEV-UHFFFAOYSA-N 0 0 462.618 4.026 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001160900 553919673 /nfs/dbraw/zinc/91/96/73/553919673.db2.gz CPHWTXKCGLVYMY-UHFFFAOYSA-N 0 0 466.559 4.001 50 0 JIAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000001160934 553919984 /nfs/dbraw/zinc/91/99/84/553919984.db2.gz VLOAWFXOARZQPC-UHFFFAOYSA-N 0 0 461.481 4.413 50 0 JIAARN COc1cc([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)OC3)cc(OC)c1OC ZINC000001429637 553970188 /nfs/dbraw/zinc/97/01/88/553970188.db2.gz LAFLNXNKBAZDRB-OAHLLOKOSA-N 0 0 463.408 4.063 50 0 JIAARN CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000001917099 554004129 /nfs/dbraw/zinc/00/41/29/554004129.db2.gz WJFRIPJCUJYBLN-DEOSSOPVSA-N 0 0 472.497 4.281 50 0 JIAARN COC(=O)c1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(C4CCCCC4)C3=O)cc2)c1 ZINC000001953765 554007143 /nfs/dbraw/zinc/00/71/43/554007143.db2.gz QIJBXXYKJPOLHY-UHFFFAOYSA-N 0 0 481.936 4.289 50 0 JIAARN Cc1ccc(C(=O)Nc2cccc(O)c2)cc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O ZINC000001954017 554007363 /nfs/dbraw/zinc/00/73/63/554007363.db2.gz ZHKPPWPLUJHFBG-UHFFFAOYSA-N 0 0 461.905 4.384 50 0 JIAARN CCc1c(C)sc(N[C@@](NC(=O)c2ccc(Cl)cc2)(C(=O)OC)C(F)(F)F)c1C(=O)OC ZINC000002050164 554010462 /nfs/dbraw/zinc/01/04/62/554010462.db2.gz SKPUIXQXNLKBLH-IBGZPJMESA-N 0 0 492.903 4.332 50 0 JIAARN COc1ccc(OC)c(N(CC(=O)N[C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000002064946 554019765 /nfs/dbraw/zinc/01/97/65/554019765.db2.gz JAZVQHHYGCEZNO-IBGZPJMESA-N 0 0 468.575 4.085 50 0 JIAARN CCOC(=O)c1c(NC(=S)N[C@@H](NC(=O)CC)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000002071627 554022489 /nfs/dbraw/zinc/02/24/89/554022489.db2.gz RZPGFEAQQIJFTM-OAHLLOKOSA-N 0 0 486.874 4.313 50 0 JIAARN COCCCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(Cl)cc1)sc1c2CCC1 ZINC000002074599 554024201 /nfs/dbraw/zinc/02/42/01/554024201.db2.gz YCOQGRVTCDEGDD-UHFFFAOYSA-N 0 0 464.012 4.367 50 0 JIAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1ccccc1)C[C@@H](C(C)(C)C)CC2 ZINC000002087948 554033179 /nfs/dbraw/zinc/03/31/79/554033179.db2.gz AEGKZAHNRXGIKY-AWEZNQCLSA-N 0 0 485.635 4.392 50 0 JIAARN CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1C ZINC000002092052 554035247 /nfs/dbraw/zinc/03/52/47/554035247.db2.gz XKSFFHOCROLMAR-FQEVSTJZSA-N 0 0 457.548 4.161 50 0 biogenic JIAARN O=C(Nc1ccc(Br)cc1Br)[C@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 ZINC000002096303 554040793 /nfs/dbraw/zinc/04/07/93/554040793.db2.gz ZIQVPSVTTNHPTH-QAPCUYQASA-N 0 0 494.139 4.010 50 0 JIAARN CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C[C@H]4CCCO4)CC(=O)N23)cc1 ZINC000002096426 554040818 /nfs/dbraw/zinc/04/08/18/554040818.db2.gz IDZGCRJCHQXFPW-WMVAVLGLSA-N 0 0 457.574 4.155 50 0 biogenic JIAARN O=C(Nc1ccc(Br)cc1Br)[C@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 ZINC000002096304 554040871 /nfs/dbraw/zinc/04/08/71/554040871.db2.gz ZIQVPSVTTNHPTH-CRAIPNDOSA-N 0 0 494.139 4.010 50 0 JIAARN COCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc3ccccc32)C1=O ZINC000002102698 554043274 /nfs/dbraw/zinc/04/32/74/554043274.db2.gz SBOCFHNBKTUFEA-IGKIAQTJSA-N 0 0 453.542 4.043 50 0 biogenic JIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccc(F)cc4)CC(=O)N32)c1 ZINC000002103134 554043578 /nfs/dbraw/zinc/04/35/78/554043578.db2.gz DFYSEPMXUCYDJQ-LSYYVWMOSA-N 0 0 483.543 4.243 50 0 biogenic JIAARN CCCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1c(Cl)c(C)nn1C)C[C@H](C)CC2 ZINC000002109074 554049084 /nfs/dbraw/zinc/04/90/84/554049084.db2.gz GDFOKIKRQITVAW-SNVBAGLBSA-N 0 0 469.032 4.262 50 0 JIAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCc4ccccc4)CC(=O)N32)cc1 ZINC000002112089 554050888 /nfs/dbraw/zinc/05/08/88/554050888.db2.gz FOSBKXCTEXKVKY-WNJJXGMVSA-N 0 0 479.580 4.494 50 0 biogenic JIAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)cc(C)c12 ZINC000002148228 554067522 /nfs/dbraw/zinc/06/75/22/554067522.db2.gz ORVBCMVPZJJNOM-MWTRTKDXSA-N 0 0 457.548 4.017 50 0 biogenic JIAARN CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1C ZINC000002149073 554068407 /nfs/dbraw/zinc/06/84/07/554068407.db2.gz MSTUCCGMKFWQFW-IBGZPJMESA-N 0 0 455.532 4.363 50 0 biogenic JIAARN COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(c4cccc(OC)c4)C(=O)N32)cc1 ZINC000002149466 554068686 /nfs/dbraw/zinc/06/86/86/554068686.db2.gz VTLYJQOBPFOPKG-ILBGXUMGSA-N 0 0 481.508 4.446 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Oc2ccc3c(C)cc(=O)oc3c2C)cc1 ZINC000002150093 554069008 /nfs/dbraw/zinc/06/90/08/554069008.db2.gz NMRYRZLNGBYACO-HXUWFJFHSA-N 0 0 457.548 4.017 50 0 JIAARN COc1ccc(CN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3ccc(C)cc3)C2=O)cc1OC ZINC000002153740 554071409 /nfs/dbraw/zinc/07/14/09/554071409.db2.gz PXHPZGSWLMINKB-OUTSHDOLSA-N 0 0 495.579 4.379 50 0 biogenic JIAARN COc1ccc(CN2CC(=O)N3[C@H](c4cccc(C)c4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002158047 554073426 /nfs/dbraw/zinc/07/34/26/554073426.db2.gz JXSXZIYWHWZDKG-LBNVMWSVSA-N 0 0 465.553 4.370 50 0 biogenic JIAARN CCOC(=O)[C@](NC(=O)Nc1nc2ccccc2s1)(Oc1ccc(F)cc1)C(F)(F)F ZINC000002230020 554104767 /nfs/dbraw/zinc/10/47/67/554104767.db2.gz FBDXUWJGUHCKFP-SFHVURJKSA-N 0 0 457.405 4.458 50 0 JIAARN CCOc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cccc(O)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000002231795 554105610 /nfs/dbraw/zinc/10/56/10/554105610.db2.gz YLVQTNHSVQTSHR-CMISJSSVSA-N 0 0 480.589 4.423 50 0 JIAARN COc1cc(-c2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)n2N)cc(OC)c1OC ZINC000002264876 554124336 /nfs/dbraw/zinc/12/43/36/554124336.db2.gz QWLWAIRGMMDDMY-UHFFFAOYSA-N 0 0 491.573 4.083 50 0 JIAARN Cc1ccc(S(=O)(=O)c2c(N)n(Cc3ccc4c(c3)OCO4)c3nc4ccccc4nc32)cc1 ZINC000002271670 554127269 /nfs/dbraw/zinc/12/72/69/554127269.db2.gz JSGNPZPFVJIWGI-UHFFFAOYSA-N 0 0 472.526 4.085 50 0 JIAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc5ccccc45)c(=O)n32)cc1 ZINC000002279100 554130233 /nfs/dbraw/zinc/13/02/33/554130233.db2.gz KYXHEVJVGAUREB-GTWFGUSFSA-N 0 0 498.604 4.349 50 0 JIAARN COc1ccc(CCn2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002282872 554131755 /nfs/dbraw/zinc/13/17/55/554131755.db2.gz MDFAPBDKFUQWMN-UHFFFAOYSA-N 0 0 458.543 4.251 50 0 JIAARN COc1cc(CNC(=O)c2c(N)n(-c3ccc(C)cc3)c3nc4ccccc4nc32)cc(OC)c1 ZINC000002288287 554134029 /nfs/dbraw/zinc/13/40/29/554134029.db2.gz QKYQRZLGOQJMOE-UHFFFAOYSA-N 0 0 467.529 4.412 50 0 JIAARN COc1ccc(-n2c(N)c(C(=O)NCCc3ccc(OC)c(OC)c3)c3nc4ccccc4nc32)cc1 ZINC000002289752 554134276 /nfs/dbraw/zinc/13/42/76/554134276.db2.gz NGVOAPDGWVTHSJ-UHFFFAOYSA-N 0 0 497.555 4.154 50 0 JIAARN COc1ccc(CNC(=O)c2c(N)n(Cc3ccc(OC)cc3)c3nc4ccccc4nc32)cc1 ZINC000002291834 554135913 /nfs/dbraw/zinc/13/59/13/554135913.db2.gz BXZJTNKZRBWVAM-UHFFFAOYSA-N 0 0 467.529 4.162 50 0 JIAARN CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1sc(C)c(CC)c1C(=O)OC)C(F)(F)F ZINC000002300265 554139418 /nfs/dbraw/zinc/13/94/18/554139418.db2.gz IGJPSYGWUHOGAO-FQEVSTJZSA-N 0 0 472.485 4.069 50 0 JIAARN CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1sc(C)c(CC)c1C(=O)OC)C(F)(F)F ZINC000002300266 554139425 /nfs/dbraw/zinc/13/94/25/554139425.db2.gz IGJPSYGWUHOGAO-HXUWFJFHSA-N 0 0 472.485 4.069 50 0 JIAARN CC(=O)c1c(OC(=O)c2cc3cc(Br)ccc3oc2=O)ccc2c(C)cc(=O)oc21 ZINC000002310925 554143472 /nfs/dbraw/zinc/14/34/72/554143472.db2.gz XHXILUJFHIUDIZ-UHFFFAOYSA-N 0 0 469.243 4.392 50 0 JIAARN CCOC(=O)[C@@H](C)Sc1nc2ccc(I)cc2c(=O)n1-c1ccc(C)cc1 ZINC000002318508 554146738 /nfs/dbraw/zinc/14/67/38/554146738.db2.gz JHBOEHWGZJWLHM-CYBMUJFWSA-N 0 0 494.354 4.342 50 0 JIAARN CC1(C)SC(=S)N(Cc2ccc(F)cc2)[C@H]1n1oc(=O)n(-c2cccc(Cl)c2)c1=O ZINC000002350958 554161279 /nfs/dbraw/zinc/16/12/79/554161279.db2.gz HADGFSAVVTXLHM-INIZCTEOSA-N 0 0 465.959 4.196 50 0 JIAARN O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(OC(=O)c2ccco2)cc1 ZINC000002358920 554164905 /nfs/dbraw/zinc/16/49/05/554164905.db2.gz HWMXGRZEJUMFGH-UHFFFAOYSA-N 0 0 495.443 4.339 50 0 JIAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)c(Br)c1 ZINC000002370511 554170134 /nfs/dbraw/zinc/17/01/34/554170134.db2.gz RPIOWJWYJGUPAO-UHFFFAOYSA-N 0 0 452.765 4.114 50 0 JIAARN COc1ccc(CCn2c(N)c(C(=O)NCc3cccs3)c3nc4ccccc4nc32)cc1 ZINC000002396494 554183152 /nfs/dbraw/zinc/18/31/52/554183152.db2.gz YVOVHUFBAQMGJO-UHFFFAOYSA-N 0 0 457.559 4.410 50 0 JIAARN COC(=O)c1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cccs5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000002410795 554191607 /nfs/dbraw/zinc/19/16/07/554191607.db2.gz NUIRUODXBNPMSX-DLBLZJNESA-N 0 0 484.602 4.167 50 0 JIAARN COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC(C)C)cc(OC)c1OC ZINC000002411873 554192729 /nfs/dbraw/zinc/19/27/29/554192729.db2.gz YSYOXQDGVMRWDP-HSZRJFAPSA-N 0 0 481.545 4.488 50 0 JIAARN COc1ccc(OC)c([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nncs2)c1 ZINC000002419711 554197563 /nfs/dbraw/zinc/19/75/63/554197563.db2.gz MVLSRPDUHQFBLF-KRWDZBQOSA-N 0 0 455.879 4.065 50 0 JIAARN COC(=O)C1=NN(c2ccc(OC)cc2)[C@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 ZINC000002427134 554202326 /nfs/dbraw/zinc/20/23/26/554202326.db2.gz YQNPIEBBJCHONI-QFIPXVFZSA-N 0 0 471.560 4.004 50 0 JIAARN CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nncs2)cc1OC ZINC000002431563 554205224 /nfs/dbraw/zinc/20/52/24/554205224.db2.gz BZOBMOICMKABDU-SFHVURJKSA-N 0 0 469.906 4.455 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CN(Cc3ccc4c(c3)OCO4)c3nc4ccccc4nc32)cc1C ZINC000002437223 554208165 /nfs/dbraw/zinc/20/81/65/554208165.db2.gz JWTDEDPFABJFHI-UHFFFAOYSA-N 0 0 474.542 4.148 50 0 JIAARN COc1cc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC(C)(C)C)c3N2)cc(OC)c1OC ZINC000002474697 554224841 /nfs/dbraw/zinc/22/48/41/554224841.db2.gz GGZJISYDOPYXLL-BBRMVZONSA-N 0 0 456.465 4.098 50 0 JIAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1 ZINC000002494195 554227948 /nfs/dbraw/zinc/22/79/48/554227948.db2.gz LSZCINIBBNLFKF-UHFFFAOYSA-N 0 0 454.961 4.124 50 0 JIAARN O=C(NC1CCCCCC1)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000002498840 554229002 /nfs/dbraw/zinc/22/90/02/554229002.db2.gz XUXUITYEYBKJNC-UHFFFAOYSA-N 0 0 477.490 4.434 50 0 aggregator JIAARN O=C(CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000002601821 554240421 /nfs/dbraw/zinc/24/04/21/554240421.db2.gz BMQHBVYBDFMETN-AWEZNQCLSA-N 0 0 499.035 4.277 50 0 JIAARN COc1ccc(NC(=O)COC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)c(OC)c1 ZINC000002616747 554241593 /nfs/dbraw/zinc/24/15/93/554241593.db2.gz URHQEXGASRYUOH-UHFFFAOYSA-N 0 0 469.494 4.347 50 0 JIAARN COc1ccc(OC)c(-n2c(SCC(=O)c3cc(C)n(C)c3C)nc3ccccc3c2=O)c1 ZINC000002616755 554241616 /nfs/dbraw/zinc/24/16/16/554241616.db2.gz BHBIGHXCZAKKCM-UHFFFAOYSA-N 0 0 463.559 4.333 50 0 JIAARN O=C1/C(=C\c2ccco2)N=C(SCn2nnc3ccccc3c2=O)N1c1ccc(OC(F)F)cc1 ZINC000002617768 554242180 /nfs/dbraw/zinc/24/21/80/554242180.db2.gz YKHRAEXPTKPHMD-XDHOZWIPSA-N 0 0 495.467 4.121 50 0 JIAARN Cc1ccc(CNC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 ZINC000002619360 554243952 /nfs/dbraw/zinc/24/39/52/554243952.db2.gz ICPRREHUACZTNV-UHFFFAOYSA-N 0 0 458.543 4.380 50 0 JIAARN COC[C@H](C)n1c(=O)c2ccccc2nc1S[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000002629327 554252086 /nfs/dbraw/zinc/25/20/86/554252086.db2.gz GZSGVNULAJWNLD-NWDGAFQWSA-N 0 0 467.378 4.425 50 0 JIAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1S[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000002629328 554252114 /nfs/dbraw/zinc/25/21/14/554252114.db2.gz GZSGVNULAJWNLD-VXGBXAGGSA-N 0 0 467.378 4.425 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)c(C)n1CCc1ccc(F)cc1 ZINC000002631023 554253164 /nfs/dbraw/zinc/25/31/64/554253164.db2.gz MSRFNCDIAOEBLX-HHHXNRCGSA-N 0 0 461.537 4.445 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2Cl)c1 ZINC000002640054 554259532 /nfs/dbraw/zinc/25/95/32/554259532.db2.gz MZNTXHOKEOUHLJ-UHFFFAOYSA-N 0 0 483.977 4.298 50 0 JIAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccc(C)cc2)cc1 ZINC000002640228 554259700 /nfs/dbraw/zinc/25/97/00/554259700.db2.gz FEOMXKADQWYIOG-DEOSSOPVSA-N 0 0 451.544 4.335 50 0 JIAARN COC[C@H](C)n1c(C)cc(C(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ccc(Cl)cc32)c1C ZINC000002644469 554262463 /nfs/dbraw/zinc/26/24/63/554262463.db2.gz SQQWWYZSBHPOPQ-SFHVURJKSA-N 0 0 493.991 4.374 50 0 JIAARN O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)NC(=O)[C@H]1COc2ccccc2O1 ZINC000002645042 554262739 /nfs/dbraw/zinc/26/27/39/554262739.db2.gz JCGFMALVHGRONG-OAQYLSRUSA-N 0 0 485.414 4.012 50 0 JIAARN COc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000002651670 554267522 /nfs/dbraw/zinc/26/75/22/554267522.db2.gz BFNGYPWXVLBPAL-QGZVFWFLSA-N 0 0 497.544 4.404 50 0 JIAARN CCc1cccc(CC)c1-n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1cccnc1 ZINC000002655504 554271369 /nfs/dbraw/zinc/27/13/69/554271369.db2.gz CZEZCIICBBMGBG-UHFFFAOYSA-N 0 0 486.601 4.284 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2CCc2ccccc2)cc1 ZINC000002655382 554271464 /nfs/dbraw/zinc/27/14/64/554271464.db2.gz GMGMOTYBHDYLSE-UHFFFAOYSA-N 0 0 487.585 4.026 50 0 JIAARN C[C@H]1CCc2c(sc3ncnc(N4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)c23)C1 ZINC000002658483 554272961 /nfs/dbraw/zinc/27/29/61/554272961.db2.gz 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JIAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccccc2Cl)c1=O)NCCc1ccccc1 ZINC000002687401 554283426 /nfs/dbraw/zinc/28/34/26/554283426.db2.gz XCSHBAYPOGCFFL-UHFFFAOYSA-N 0 0 490.003 4.394 50 0 JIAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c3ccc(F)cc3c2=O)cc1 ZINC000002687775 554283701 /nfs/dbraw/zinc/28/37/01/554283701.db2.gz GMKVXUFMKDVYFC-UHFFFAOYSA-N 0 0 472.472 4.090 50 0 JIAARN CCOc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(OC)cc3)c3ccc(OC)cc3c2=O)cc1 ZINC000002690153 554285465 /nfs/dbraw/zinc/28/54/65/554285465.db2.gz SIBJGXVKIXNRAC-UHFFFAOYSA-N 0 0 486.524 4.287 50 0 JIAARN CCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(C)cc1 ZINC000002691415 554287097 /nfs/dbraw/zinc/28/70/97/554287097.db2.gz VJCMOOYBTGAVRD-UHFFFAOYSA-N 0 0 478.545 4.483 50 0 JIAARN Cc1ccc(N2C(=O)N(CC(=O)Nc3ccccc3)c3ccccc3S2(=O)=O)cc1Cl ZINC000002699073 554293423 /nfs/dbraw/zinc/29/34/23/554293423.db2.gz XNTNLTAMKIWIPP-UHFFFAOYSA-N 0 0 455.923 4.422 50 0 JIAARN 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XAYVWILRXHQSLR-UHFFFAOYSA-N 0 0 473.510 4.426 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)NCc3ccc(Cl)cc3)cs2)cc1 ZINC000008850495 554747498 /nfs/dbraw/zinc/74/74/98/554747498.db2.gz NNIVEMMIVKFUNS-UHFFFAOYSA-N 0 0 489.022 4.345 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C)c(F)c3)cs2)cc1 ZINC000008850669 554747631 /nfs/dbraw/zinc/74/76/31/554747631.db2.gz NYVWAELCELLEHJ-UHFFFAOYSA-N 0 0 472.567 4.461 50 0 JIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(NC(C)=O)c3)cs2)cc1 ZINC000008851699 554748470 /nfs/dbraw/zinc/74/84/70/554748470.db2.gz NFWQDLYHYUTQRN-UHFFFAOYSA-N 0 0 470.576 4.022 50 0 JIAARN CC(C)Cn1c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1ccccc1F ZINC000008855638 554751360 /nfs/dbraw/zinc/75/13/60/554751360.db2.gz KIEAYCOGAKVVRL-NRFANRHFSA-N 0 0 454.571 4.432 50 0 JIAARN COc1ccc(NC(=O)[C@H](Sc2nnc(Cc3ccccc3F)n2N)c2ccccc2)cc1 ZINC000008855914 554751715 /nfs/dbraw/zinc/75/17/15/554751715.db2.gz QVBGASUEXAGGCQ-JOCHJYFZSA-N 0 0 463.538 4.203 50 0 JIAARN C[C@@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)c1ccc2c(c1)OCO2 ZINC000008861871 554759250 /nfs/dbraw/zinc/75/92/50/554759250.db2.gz UZOQWTLHKVLXQB-CQSZACIVSA-N 0 0 461.547 4.460 50 0 JIAARN COC(=O)C1=CN(CC23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1cccc(OC)c1OC ZINC000008868701 554762355 /nfs/dbraw/zinc/76/23/55/554762355.db2.gz JHUDKXBWWXYKPT-UHFFFAOYSA-N 0 0 481.589 4.433 50 0 JIAARN CCCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)cc1OC ZINC000008869545 554763247 /nfs/dbraw/zinc/76/32/47/554763247.db2.gz MCWTZJZDTGDKPN-QHCPKHFHSA-N 0 0 451.519 4.481 50 0 JIAARN CC(C)(C)c1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008869783 554763841 /nfs/dbraw/zinc/76/38/41/554763841.db2.gz QSFGYJKGLPTZKF-FQEVSTJZSA-N 0 0 494.451 4.341 50 0 JIAARN COc1ccc(-c2csc3ncnc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)c23)cc1 ZINC000008871665 554767399 /nfs/dbraw/zinc/76/73/99/554767399.db2.gz CJJNGCVEGIJBGG-UHFFFAOYSA-N 0 0 460.559 4.418 50 0 JIAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2cccs2)c2ccc(OC)cc2)C1=O ZINC000008879635 554775140 /nfs/dbraw/zinc/77/51/40/554775140.db2.gz DQJVRZRMIFHWPF-RUZDIDTESA-N 0 0 463.559 4.147 50 0 JIAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C ZINC000008880905 554776196 /nfs/dbraw/zinc/77/61/96/554776196.db2.gz NEHFESNMDBLJOJ-OAQYLSRUSA-N 0 0 450.608 4.188 50 0 JIAARN CCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1OCC ZINC000008882574 554777343 /nfs/dbraw/zinc/77/73/43/554777343.db2.gz VODSVKKKURANDN-UHFFFAOYSA-N 0 0 494.613 4.208 50 0 JIAARN COC(=O)[C@@H](C)SC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 ZINC000008893296 554781857 /nfs/dbraw/zinc/78/18/57/554781857.db2.gz XRNNWFNBYWJZGF-FDIDITGRSA-N 0 0 462.474 4.335 50 0 JIAARN COc1ccc(OC)c(-c2csc(NC(=O)CSc3nnc(Cc4csc(C)n4)o3)n2)c1 ZINC000008893880 554782774 /nfs/dbraw/zinc/78/27/74/554782774.db2.gz YIFAZJUSDKGRAQ-UHFFFAOYSA-N 0 0 489.604 4.297 50 0 JIAARN O=C(CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O)NCc1cccnc1 ZINC000008897753 554787925 /nfs/dbraw/zinc/78/79/25/554787925.db2.gz ZKVHLRDGWPQRNE-UHFFFAOYSA-N 0 0 466.463 4.108 50 0 JIAARN Nc1c(N(CCC2=CCCCC2)C(=O)c2cccc(Cl)c2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000008898530 554789068 /nfs/dbraw/zinc/78/90/68/554789068.db2.gz RGURLUMEFXTPJQ-UHFFFAOYSA-N 0 0 478.980 4.358 50 0 JIAARN CCc1nnc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)s1 ZINC000008900232 554792154 /nfs/dbraw/zinc/79/21/54/554792154.db2.gz KSDXELWKAOYABA-DENIHFKCSA-N 0 0 466.563 4.241 50 0 JIAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCCCc2ccccc2)s1 ZINC000008912464 554802658 /nfs/dbraw/zinc/80/26/58/554802658.db2.gz BYJRGSNWSAEGLD-UHFFFAOYSA-N 0 0 485.052 4.468 50 0 JIAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCc3ccc(OC(C)C)cc3)C2)s1 ZINC000008912692 554803231 /nfs/dbraw/zinc/80/32/31/554803231.db2.gz GPXVQCVWOMJNGW-FQEVSTJZSA-N 0 0 453.612 4.266 50 0 JIAARN Cc1ccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 ZINC000008913547 554806059 /nfs/dbraw/zinc/80/60/59/554806059.db2.gz BTKTUNZGMBERMV-UHFFFAOYSA-N 0 0 471.630 4.468 50 0 JIAARN CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCCn4ccnc4)CC(=O)N32)cc1 ZINC000008918526 554815065 /nfs/dbraw/zinc/81/50/65/554815065.db2.gz XJGDKXKAMHIQEE-LEAFIULHSA-N 0 0 481.600 4.263 50 0 biogenic JIAARN CCCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc(OC)cc2OC)C1=O ZINC000008920285 554817248 /nfs/dbraw/zinc/81/72/48/554817248.db2.gz AAGMCJGBFIGVNF-JOCHJYFZSA-N 0 0 462.340 4.074 50 0 JIAARN COC(=O)CN1C(=O)N(c2ccc(Cl)cc2)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000008926405 554822999 /nfs/dbraw/zinc/82/29/99/554822999.db2.gz BOODNIKWPGIMHQ-GOSISDBHSA-N 0 0 481.336 4.436 50 0 JIAARN Cc1ccc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCc4cccs4)c(=O)c32)c1 ZINC000008933219 554827114 /nfs/dbraw/zinc/82/71/14/554827114.db2.gz DJUSUBNLPHFKMH-UHFFFAOYSA-N 0 0 456.571 4.394 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000008936314 554830318 /nfs/dbraw/zinc/83/03/18/554830318.db2.gz MEYCVBBLPIDEEN-UHFFFAOYSA-N 0 0 465.575 4.091 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cnn(-c3ccccc3)c2)c1 ZINC000008942177 554832105 /nfs/dbraw/zinc/83/21/05/554832105.db2.gz NCXJRDYAKOYGIU-UHFFFAOYSA-N 0 0 495.004 4.276 50 0 JIAARN COc1ccc(C2=NN(C(C)=O)[C@]3(SC(c4ccccc4)=NN3c3ccccc3)N2C)cc1 ZINC000008955734 554837039 /nfs/dbraw/zinc/83/70/39/554837039.db2.gz FKQQJFLHLFCIMY-RUZDIDTESA-N 0 0 457.559 4.377 50 0 JIAARN CCN1c2ccccc2Oc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1=O ZINC000008961119 554837705 /nfs/dbraw/zinc/83/77/05/554837705.db2.gz HFUBYKHFTDSRGI-UHFFFAOYSA-N 0 0 452.488 4.031 50 0 JIAARN C[C@@H](c1nnc(SCC(=O)N[C@@H]2CCCc3ccccc32)n1-c1ccc(F)cc1)N(C)C ZINC000008965835 554841034 /nfs/dbraw/zinc/84/10/34/554841034.db2.gz ATBIXGGDLHKVJT-HRAATJIYSA-N 0 0 453.587 4.315 50 0 JIAARN CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)nnc1-c1ccncc1 ZINC000008965853 554841275 /nfs/dbraw/zinc/84/12/75/554841275.db2.gz CWUUKXYITZBJQT-KRWDZBQOSA-N 0 0 464.576 4.485 50 0 JIAARN O=S(=O)(c1ccc(Cl)s1)N1CCN(c2nc3ccc(Br)cc3s2)CC1 ZINC000008967354 554842732 /nfs/dbraw/zinc/84/27/32/554842732.db2.gz DOPZTWUAHAGNDB-UHFFFAOYSA-N 0 0 478.846 4.285 50 0 JIAARN CC1(C)CCc2c(cc(OCC(=O)Nc3ccc4c(c3)OCO4)c3c4c(c(=O)oc23)CCC4)O1 ZINC000008994681 554854629 /nfs/dbraw/zinc/85/46/29/554854629.db2.gz SPERGNJFNGMYEC-UHFFFAOYSA-N 0 0 463.486 4.132 50 0 biogenic JIAARN Cc1cc(C)cc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccc(Cl)cc2)c4=O)c1 ZINC000009009812 554863206 /nfs/dbraw/zinc/86/32/06/554863206.db2.gz IWBONUTVIVQQGS-QGZVFWFLSA-N 0 0 463.969 4.003 50 0 JIAARN COc1ccc(CN2C(=S)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1OC ZINC000009046691 554870743 /nfs/dbraw/zinc/87/07/43/554870743.db2.gz UMMIXMGXMYEEQN-NRFANRHFSA-N 0 0 493.560 4.374 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000009054548 554873862 /nfs/dbraw/zinc/87/38/62/554873862.db2.gz QXAHSMIDRDSYOC-SFHVURJKSA-N 0 0 485.610 4.307 50 0 JIAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000009056181 554874336 /nfs/dbraw/zinc/87/43/36/554874336.db2.gz VIDGMVBCRFIUAN-JOCHJYFZSA-N 0 0 480.615 4.484 50 0 JIAARN O=S1(=O)C[C@H]2N=C(SCCCc3ccccc3)N(c3ccc(Br)cc3)[C@@H]2C1 ZINC000009061319 554879345 /nfs/dbraw/zinc/87/93/45/554879345.db2.gz ZSLLUHHUIBGTQS-RTBURBONSA-N 0 0 465.438 4.157 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C[C@@H]2CCCO2)c2nc3c(cccc3C)s2)cc1 ZINC000009065782 554885492 /nfs/dbraw/zinc/88/54/92/554885492.db2.gz NSTGQAWRXNYGIL-PZJWPPBQSA-N 0 0 499.658 4.278 50 0 JIAARN COc1ccc(/C=C/C(=O)N2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1OC ZINC000009085865 554888553 /nfs/dbraw/zinc/88/85/53/554888553.db2.gz WIPTZWOLPNMQDW-ZRDIBKRKSA-N 0 0 484.552 4.405 50 0 JIAARN COc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1C(=O)N1CCCCC1 ZINC000009094997 554892616 /nfs/dbraw/zinc/89/26/16/554892616.db2.gz KFEPYNATEZBABB-UHFFFAOYSA-N 0 0 469.028 4.045 50 0 JIAARN COc1ccc(-c2noc(CNC(=O)COc3ccc4ccccc4c3Br)n2)cc1OC ZINC000009095343 554893224 /nfs/dbraw/zinc/89/32/24/554893224.db2.gz MPVAGUCZNAXWLT-UHFFFAOYSA-N 0 0 498.333 4.365 50 0 JIAARN CC[C@H](Sc1nnc(CC(=O)Nc2ccc(C)cc2)n1C)C(=O)Nc1ccc(F)cc1F ZINC000009095892 554894183 /nfs/dbraw/zinc/89/41/83/554894183.db2.gz TUFFYRZZPXTKTP-SFHVURJKSA-N 0 0 459.522 4.092 50 0 JIAARN O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(F)cc1 ZINC000009097024 554895828 /nfs/dbraw/zinc/89/58/28/554895828.db2.gz BJASZWCEUZRXNU-UHFFFAOYSA-N 0 0 489.956 4.369 50 0 JIAARN CCOc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)CC1 ZINC000009097243 554896105 /nfs/dbraw/zinc/89/61/05/554896105.db2.gz LLQRMCCKOCCQLF-UHFFFAOYSA-N 0 0 493.629 4.465 50 0 JIAARN NC(=O)c1ccc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)cc1 ZINC000009102026 554896743 /nfs/dbraw/zinc/89/67/43/554896743.db2.gz KOGUWWSGYGZFKR-UHFFFAOYSA-N 0 0 462.456 4.140 50 0 JIAARN COc1ccc([C@@H]2c3c(ccc4ccccc43)Oc3ncn(CCN4CCOCC4)c(=N)c32)cc1OC ZINC000009108604 554897156 /nfs/dbraw/zinc/89/71/56/554897156.db2.gz HTAQOIIMDZRODK-RUZDIDTESA-N 0 0 498.583 4.151 50 0 JIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000009111668 554899074 /nfs/dbraw/zinc/89/90/74/554899074.db2.gz YPODBPYWBDBGSS-KRWDZBQOSA-N 0 0 470.558 4.185 50 0 JIAARN CCc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(Cc3ccc(OC)cc3)c2=O)cc1 ZINC000009116592 554904832 /nfs/dbraw/zinc/90/48/32/554904832.db2.gz TXBFEVAENXPPGP-UHFFFAOYSA-N 0 0 483.524 4.167 50 0 JIAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)C2)cc1 ZINC000009117569 554907266 /nfs/dbraw/zinc/90/72/66/554907266.db2.gz MEKGOYSKCQIFRD-GOSISDBHSA-N 0 0 465.554 4.138 50 0 JIAARN CCCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000009119297 554909989 /nfs/dbraw/zinc/90/99/89/554909989.db2.gz SCZZAXPEIGOBOC-UHFFFAOYSA-N 0 0 458.555 4.382 50 0 JIAARN O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009120169 554912591 /nfs/dbraw/zinc/91/25/91/554912591.db2.gz OFOYZVMYXVKBBK-GOSISDBHSA-N 0 0 457.861 4.142 50 0 JIAARN COc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc1OC 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0 453.366 4.196 50 0 JIAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)C1=O ZINC000009726169 555459861 /nfs/dbraw/zinc/45/98/61/555459861.db2.gz TWPIYVMIBBNBLN-AREMUKBSSA-N 0 0 454.486 4.083 50 0 JIAARN COc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000009727692 555461629 /nfs/dbraw/zinc/46/16/29/555461629.db2.gz MHZFWPGSKFMOOA-UHFFFAOYSA-N 0 0 480.590 4.185 50 0 JIAARN C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009729082 555463555 /nfs/dbraw/zinc/46/35/55/555463555.db2.gz HHFNOXKYHJYZNG-CYBMUJFWSA-N 0 0 452.540 4.332 50 0 JIAARN O=C(OCc1nnc(-c2cc3c(s2)CCCC3)o1)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000009730411 555465857 /nfs/dbraw/zinc/46/58/57/555465857.db2.gz FWHVTPVVZINXDD-BXKMTCNYSA-N 0 0 499.589 4.450 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-n2cccc2)cc1OC ZINC000009738244 555469895 /nfs/dbraw/zinc/46/98/95/555469895.db2.gz FBGRKUJRPHRBLI-UHFFFAOYSA-N 0 0 469.954 4.459 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)C(=O)Nc4ccc(Cl)cc4)cc32)cc1 ZINC000009739111 555470643 /nfs/dbraw/zinc/47/06/43/555470643.db2.gz KWJDXXYGVTWNQX-UHFFFAOYSA-N 0 0 483.977 4.367 50 0 JIAARN Cc1ccc(-n2c3nc(-c4ccc(OCc5ccccc5)cc4)nc(C(N)=O)c3[nH]c2=O)cc1C ZINC000009739133 555470658 /nfs/dbraw/zinc/47/06/58/555470658.db2.gz RKWLJRKCEHZQPR-UHFFFAOYSA-N 0 0 465.513 4.071 50 0 JIAARN COc1cccc(Cn2c(=O)c3oc4ccccc4c3nc2SCC(=O)Nc2nccs2)c1 ZINC000009749797 555481523 /nfs/dbraw/zinc/48/15/23/555481523.db2.gz VSRZFXGZYGCKRY-UHFFFAOYSA-N 0 0 478.555 4.387 50 0 JIAARN CC(C)OCCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000009752008 555483459 /nfs/dbraw/zinc/48/34/59/555483459.db2.gz HQDPVZUYGKSKOC-UHFFFAOYSA-N 0 0 495.557 4.417 50 0 JIAARN Cc1ccc2c(c1)[C@]1(SCC(=O)N1c1cccc(F)c1)C(=O)N2CC(=O)Nc1ccc(F)cc1F ZINC000009752850 555483925 /nfs/dbraw/zinc/48/39/25/555483925.db2.gz WFSVVDBTRXNPFZ-VWLOTQADSA-N 0 0 497.498 4.330 50 0 JIAARN Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000009754529 555484972 /nfs/dbraw/zinc/48/49/72/555484972.db2.gz JNCUHNKBLHEZRV-SFHVURJKSA-N 0 0 452.580 4.238 50 0 JIAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009764972 555490586 /nfs/dbraw/zinc/49/05/86/555490586.db2.gz LIHGRUVJYMXMLR-KRWDZBQOSA-N 0 0 479.583 4.321 50 0 JIAARN CN(CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000009765767 555490974 /nfs/dbraw/zinc/49/09/74/555490974.db2.gz AAPUVVCAPLEVBH-HXUWFJFHSA-N 0 0 479.627 4.476 50 0 JIAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCC(C)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009776659 555494846 /nfs/dbraw/zinc/49/48/46/555494846.db2.gz HQBSWCPEVYXMOQ-NVQXNPDNSA-N 0 0 496.604 4.464 50 0 JIAARN COc1ccc(N2C[C@@H](C(=O)OCc3csc(-c4ccc(C)cc4)n3)CC2=O)c(OC)c1 ZINC000009778126 555496804 /nfs/dbraw/zinc/49/68/04/555496804.db2.gz YZVDVSOBBOBLLS-KRWDZBQOSA-N 0 0 452.532 4.232 50 0 JIAARN COc1cc([C@H]2[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(C)c2)cc(OC)c1OC ZINC000009778697 555497601 /nfs/dbraw/zinc/49/76/01/555497601.db2.gz DNASQQILRLLVLP-BJKOFHAPSA-N 0 0 486.524 4.082 50 0 JIAARN Cc1cccc(C)c1-n1nnnc1SCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000009779182 555498362 /nfs/dbraw/zinc/49/83/62/555498362.db2.gz XSWJRIMPTYWWFC-HXUWFJFHSA-N 0 0 453.568 4.478 50 0 JIAARN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O ZINC000013564523 555499217 /nfs/dbraw/zinc/49/92/17/555499217.db2.gz XYXFTTCWUASWPB-ZHSNQQFMSA-N 0 0 483.399 4.172 50 0 JIAARN C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C(=O)NCc1ccccc1 ZINC000009788931 555506230 /nfs/dbraw/zinc/50/62/30/555506230.db2.gz SHCAOXXFAPBOOT-HNNXBMFYSA-N 0 0 453.951 4.488 50 0 JIAARN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1ccc(Oc2ccccc2)cc1 ZINC000009792420 555511084 /nfs/dbraw/zinc/51/10/84/555511084.db2.gz MTZFDXONVIPODM-UHFFFAOYSA-N 0 0 469.588 4.389 50 0 JIAARN COc1ccc(N2C(=S)NC(C)(C)C[C@]2(C)c2ccc(OC(C)=O)cc2OC(C)=O)cc1 ZINC000013572617 555511228 /nfs/dbraw/zinc/51/12/28/555511228.db2.gz XJSYCTQSZZZRNE-XMMPIXPASA-N 0 0 456.564 4.324 50 0 JIAARN Cn1c2c(c(-c3ccccc3)n3c2[C@H](c2c[nH]c4ccccc42)OCC3(C)C)c(=O)n(C)c1=O ZINC000013572969 555511798 /nfs/dbraw/zinc/51/17/98/555511798.db2.gz NZVDASSZDZOIPC-DEOSSOPVSA-N 0 0 454.530 4.042 50 0 JIAARN COc1ccc(/C=C2\Sc3ccc(C(=O)NCc4cccnc4)cc3N(C)C2=O)cc1OC ZINC000013574339 555512712 /nfs/dbraw/zinc/51/27/12/555512712.db2.gz ISBGXIBHNIIVAK-FMCGGJTJSA-N 0 0 461.543 4.138 50 0 JIAARN Cc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c(C)c1 ZINC000009795310 555512873 /nfs/dbraw/zinc/51/28/73/555512873.db2.gz YLXREAHXVVQCSM-GOSISDBHSA-N 0 0 472.636 4.167 50 0 JIAARN O=C(c1cc(-c2ccc3c(c2)OCO3)nc2c1cnn2Cc1ccc(Cl)cc1)N1CCC(=O)CC1 ZINC000009796154 555513477 /nfs/dbraw/zinc/51/34/77/555513477.db2.gz WCGUORMPRPTGTK-UHFFFAOYSA-N 0 0 488.931 4.334 50 0 JIAARN COc1ccc(-c2nc(NC(=O)CN3C(=O)N[C@]4(C[C@@H](C)CC(C)(C)C4)C3=O)sc2C)cc1 ZINC000009797194 555514049 /nfs/dbraw/zinc/51/40/49/555514049.db2.gz JMRZPZCYDGKJCE-BSEYFRJRSA-N 0 0 470.595 4.202 50 0 JIAARN O=C1C[C@H](SC(=S)N2CCN(Cc3ccccc3)CC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000013576750 555515812 /nfs/dbraw/zinc/51/58/12/555515812.db2.gz UXUWMXLMLGCRII-IBGZPJMESA-N 0 0 493.576 4.173 50 0 JIAARN O=C(C[C@@H]1C(=O)N(CCc2ccccc2)C(=S)N1Cc1ccccc1)Nc1ccc(F)cc1 ZINC000009805315 555516914 /nfs/dbraw/zinc/51/69/14/555516914.db2.gz XEYRDMSNBWBNCK-HSZRJFAPSA-N 0 0 461.562 4.395 50 0 JIAARN O=C(NC1CC1)/C(=C/c1ccc(SC(=S)N2CCCCC2)o1)NC(=O)c1ccccc1 ZINC000013579935 555518978 /nfs/dbraw/zinc/51/89/78/555518978.db2.gz QNCAQWHPVRNKIZ-CYVLTUHYSA-N 0 0 455.605 4.192 50 0 JIAARN CC(C)Oc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)c1 ZINC000019861072 555520184 /nfs/dbraw/zinc/52/01/84/555520184.db2.gz LOSMRJRWSNKNGJ-GOSISDBHSA-N 0 0 450.988 4.308 50 0 JIAARN Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)ccc1Br ZINC000019862753 555520510 /nfs/dbraw/zinc/52/05/10/555520510.db2.gz RHRRNJFWYYISHM-INIZCTEOSA-N 0 0 469.376 4.077 50 0 JIAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nnc(-c2ccc(Br)cc2)o1 ZINC000009816515 555521945 /nfs/dbraw/zinc/52/19/45/555521945.db2.gz RFQPBWJBDURSAR-UHFFFAOYSA-N 0 0 489.329 4.495 50 0 JIAARN COc1cccc(CCC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1OC ZINC000009818651 555522744 /nfs/dbraw/zinc/52/27/44/555522744.db2.gz APHKVGVXCGLUOR-UHFFFAOYSA-N 0 0 454.548 4.100 50 0 JIAARN CC(=O)c1cccc(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)c1 ZINC000009820939 555523795 /nfs/dbraw/zinc/52/37/95/555523795.db2.gz GJVLHATZUKKBIQ-UHFFFAOYSA-N 0 0 450.498 4.241 50 0 JIAARN COc1ccc(Nc2nc3c(S(=O)(=O)c4cc(C)ccc4C)nnn3c3ccccc23)c(OC)c1 ZINC000009829925 555528807 /nfs/dbraw/zinc/52/88/07/555528807.db2.gz OGMHBENEZHRWGI-UHFFFAOYSA-N 0 0 489.557 4.488 50 0 JIAARN COc1ccc(/C=C/c2nc(S(=O)(=O)c3ccccc3)c(NC[C@@H]3CCCO3)o2)cc1OC ZINC000013607586 555531677 /nfs/dbraw/zinc/53/16/77/555531677.db2.gz LOZYUPXQEODEKD-YLZCUGDYSA-N 0 0 470.547 4.286 50 0 JIAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1 ZINC000013610190 555534104 /nfs/dbraw/zinc/53/41/04/555534104.db2.gz PHBSIKUPJRGMOP-JYFHCDHNSA-N 0 0 492.547 4.284 50 0 JIAARN CC(=O)Nc1ccccc1-c1nc2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2[nH]c1=O ZINC000009833473 555536131 /nfs/dbraw/zinc/53/61/31/555536131.db2.gz IVFSVBSRJABBPG-UHFFFAOYSA-N 0 0 495.583 4.128 50 0 JIAARN O=C(c1cccc(Br)c1)N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000009834020 555536984 /nfs/dbraw/zinc/53/69/84/555536984.db2.gz KCSWVPZBJOVQKA-MRXNPFEDSA-N 0 0 471.170 4.169 50 0 JIAARN COc1cccc(-c2c(=O)c3cc(Cl)ccc3oc2NC(=O)CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000013624516 555538479 /nfs/dbraw/zinc/53/84/79/555538479.db2.gz UMYPRMSPZZGQPZ-GJZGRUSLSA-N 0 0 456.926 4.170 50 0 JIAARN Cc1c2ccccc2sc1C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O ZINC000009834942 555539163 /nfs/dbraw/zinc/53/91/63/555539163.db2.gz RTJRKCFCUKDOPN-DEOSSOPVSA-N 0 0 450.516 4.021 50 0 JIAARN CCCCn1c(CCC(=O)Nc2ccc(OC)cc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009835274 555540145 /nfs/dbraw/zinc/54/01/45/555540145.db2.gz FCYSLKYBQMGFFG-UHFFFAOYSA-N 0 0 484.622 4.201 50 0 JIAARN COc1cc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)n3nc(C)nc3c2cc1OC ZINC000009838533 555542895 /nfs/dbraw/zinc/54/28/95/555542895.db2.gz FHHHZIDJXRLMHS-UHFFFAOYSA-N 0 0 451.552 4.457 50 0 JIAARN O=c1ccc(-c2ccc(Cl)cc2)nn1CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000009844696 555545124 /nfs/dbraw/zinc/54/51/24/555545124.db2.gz UAWGFFHPRMOSFT-UHFFFAOYSA-N 0 0 481.961 4.335 50 0 JIAARN COc1ccc(/C=C(\NC(C)=O)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000019929097 555545463 /nfs/dbraw/zinc/54/54/63/555545463.db2.gz AGSDUSOMXQFGHS-QOMWVZHYSA-N 0 0 499.611 4.115 50 0 JIAARN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc(Cl)c2)cc1OC ZINC000009846008 555545789 /nfs/dbraw/zinc/54/57/89/555545789.db2.gz PWEMWLOOOJXFJY-UHFFFAOYSA-N 0 0 488.993 4.229 50 0 JIAARN O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009846670 555546468 /nfs/dbraw/zinc/54/64/68/555546468.db2.gz MDTYJGXSIXMERE-OAHLLOKOSA-N 0 0 462.597 4.291 50 0 JIAARN Cc1occc1-c1nnc(SCC(=O)N(C)C[C@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000009847227 555547963 /nfs/dbraw/zinc/54/79/63/555547963.db2.gz UOTDSDOMBAQZOY-IBGZPJMESA-N 0 0 476.558 4.226 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)nc(N3NC(C4CC4)=C[C@]3(O)C(F)(F)F)n2)cc1OC ZINC000013643004 555548455 /nfs/dbraw/zinc/54/84/55/555548455.db2.gz WJLDVNNLADQNTP-SFHVURJKSA-N 0 0 476.377 4.407 50 0 JIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000009850589 555553228 /nfs/dbraw/zinc/55/32/28/555553228.db2.gz ABGKKCWAFMTTOX-DEOSSOPVSA-N 0 0 473.529 4.378 50 0 JIAARN Cc1cccc(N2CCN(C(=O)Cc3csc(SCC(=O)c4ccc5c(c4)OCO5)n3)CC2)c1 ZINC000013654788 555554638 /nfs/dbraw/zinc/55/46/38/555554638.db2.gz MGPYHLQXLHEXDF-UHFFFAOYSA-N 0 0 495.626 4.047 50 0 JIAARN COc1ccc(CNC(=O)COc2ccc3c(c2)occ(-c2ccc(OC)c(OC)c2)c3=O)cc1 ZINC000013655332 555554948 /nfs/dbraw/zinc/55/49/48/555554948.db2.gz OAAXVAXBBGJEMA-UHFFFAOYSA-N 0 0 475.497 4.181 50 0 biogenic JIAARN O=C(Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(Cl)ccc21)Nc1ccccc1 ZINC000009856779 555557476 /nfs/dbraw/zinc/55/74/76/555557476.db2.gz COSQDHKGDJFVKS-UHFFFAOYSA-N 0 0 452.919 4.126 50 0 JIAARN O=C(Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(Br)ccc21)Nc1ccccc1 ZINC000009856783 555557524 /nfs/dbraw/zinc/55/75/24/555557524.db2.gz ATXNOENUMGRMIB-UHFFFAOYSA-N 0 0 497.370 4.236 50 0 JIAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1ccc(F)cc1 ZINC000009856869 555557548 /nfs/dbraw/zinc/55/75/48/555557548.db2.gz WAGQIPGLUCSLBV-UHFFFAOYSA-N 0 0 480.517 4.011 50 0 JIAARN CCOC(=O)[C@H](C)Sc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1c(C)cccc1CC ZINC000009857893 555559035 /nfs/dbraw/zinc/55/90/35/555559035.db2.gz NHWYBILHXCKCMM-KRWDZBQOSA-N 0 0 482.606 4.120 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(C)cc2)cc1 ZINC000009858429 555559929 /nfs/dbraw/zinc/55/99/29/555559929.db2.gz YCEKVXBJYBBIIK-UHFFFAOYSA-N 0 0 475.574 4.022 50 0 JIAARN CCc1ccc(S(=O)(=O)c2cn(Cc3ccc(OC)cc3)c3ccc(OC)cc3c2=O)cc1 ZINC000009859110 555560793 /nfs/dbraw/zinc/56/07/93/555560793.db2.gz KLKLOYKFUYBOEI-UHFFFAOYSA-N 0 0 463.555 4.462 50 0 JIAARN COc1cccc(CNc2nc3c(S(=O)(=O)c4ccc(Cl)cc4)nnn3c3ccccc32)c1 ZINC000009969947 555567214 /nfs/dbraw/zinc/56/72/14/555567214.db2.gz KHTGEFZHESQVAL-UHFFFAOYSA-N 0 0 479.949 4.384 50 0 JIAARN O=S(=O)(c1nnn2c1nc(NCCc1ccccc1)c1ccccc12)c1ccc(Cl)cc1 ZINC000009969950 555567276 /nfs/dbraw/zinc/56/72/76/555567276.db2.gz MSJKSXDELPWHSX-UHFFFAOYSA-N 0 0 463.950 4.418 50 0 JIAARN COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccccc32)c1 ZINC000009971090 555568656 /nfs/dbraw/zinc/56/86/56/555568656.db2.gz WQDZOEXWFSPEDW-UHFFFAOYSA-N 0 0 460.461 4.028 50 0 JIAARN COc1ccc(C)cc1Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc21 ZINC000009971144 555568887 /nfs/dbraw/zinc/56/88/87/555568887.db2.gz FLXDNYBYZJFTFL-UHFFFAOYSA-N 0 0 451.533 4.232 50 0 JIAARN CC[C@@H](Nc1ncnc2sc(C(=O)N3CCN(CCOC)CC3)c(C)c21)c1cccs1 ZINC000019954255 555570056 /nfs/dbraw/zinc/57/00/56/555570056.db2.gz XIXVVVBTNSJZDU-MRXNPFEDSA-N 0 0 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Cn1c(CCNC(=O)c2ccc(Cl)nc2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000013688293 555581362 /nfs/dbraw/zinc/58/13/62/555581362.db2.gz HWUCNGAUCGVUBV-UHFFFAOYSA-N 0 0 468.344 4.500 50 0 JIAARN CCCCN1C(=O)c2ccc(C(=O)OCc3csc(CC(=O)Nc4ccc(C)cc4)n3)cc2C1=O ZINC000009981439 555581672 /nfs/dbraw/zinc/58/16/72/555581672.db2.gz NCSWERDRPNNEDI-UHFFFAOYSA-N 0 0 491.569 4.386 50 0 JIAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000020007679 555582494 /nfs/dbraw/zinc/58/24/94/555582494.db2.gz WVGIVFBSBQXTIW-UHFFFAOYSA-N 0 0 456.424 4.400 50 0 JIAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)cs1 ZINC000009985073 555584202 /nfs/dbraw/zinc/58/42/02/555584202.db2.gz YJPCJGWGWUHZTQ-DEOSSOPVSA-N 0 0 479.602 4.439 50 0 JIAARN CCn1c(=O)c2cc(Br)ccc2nc1SCC(=O)Nc1cc(C)ccc1OC ZINC000009987579 555586335 /nfs/dbraw/zinc/58/63/35/555586335.db2.gz IURKGENJPWWYGQ-UHFFFAOYSA-N 0 0 462.369 4.227 50 0 JIAARN COc1cc(C=CC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)ccc1OC(F)F ZINC000009990429 555587069 /nfs/dbraw/zinc/58/70/69/555587069.db2.gz XFLPHPMOJHOEJG-XVNBXDOJSA-N 0 0 473.472 4.203 50 0 JIAARN CCOC(=O)c1c(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)sc2c1CC[C@H](C)C2 ZINC000009994899 555588732 /nfs/dbraw/zinc/58/87/32/555588732.db2.gz WLPQTMQHTMQRNY-VIFPVBQESA-N 0 0 491.418 4.256 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000009995133 555588991 /nfs/dbraw/zinc/58/89/91/555588991.db2.gz ZMVIUWDICGHEOI-UHFFFAOYSA-N 0 0 461.547 4.126 50 0 JIAARN CCOc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000010007619 555591436 /nfs/dbraw/zinc/59/14/36/555591436.db2.gz YZHXJUFGVYODPG-UHFFFAOYSA-N 0 0 454.548 4.318 50 0 JIAARN CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N1CCN(c2ccccc2)CC1 ZINC000010012572 555593307 /nfs/dbraw/zinc/59/33/07/555593307.db2.gz UBJRPFLCGDUOMI-UHFFFAOYSA-N 0 0 475.614 4.335 50 0 JIAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000010013078 555593697 /nfs/dbraw/zinc/59/36/97/555593697.db2.gz CIMFULHLCRXUBJ-UHFFFAOYSA-N 0 0 479.583 4.491 50 0 JIAARN COc1ccc(Cn2c(CO)cnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000010019850 555595923 /nfs/dbraw/zinc/59/59/23/555595923.db2.gz YKVSBDWCUYFYSN-UHFFFAOYSA-N 0 0 451.470 4.182 50 0 JIAARN Cc1cccc(-c2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)n2Cc2ccco2)c1 ZINC000010026898 555599635 /nfs/dbraw/zinc/59/96/35/555599635.db2.gz FEUWFKZBGLZIKM-UHFFFAOYSA-N 0 0 493.614 4.275 50 0 JIAARN COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1=O ZINC000010032359 555601697 /nfs/dbraw/zinc/60/16/97/555601697.db2.gz XLIISKDBFPCMDW-SQHAQQRYSA-N 0 0 491.975 4.107 50 0 JIAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCc1ccc(Cl)cc1Cl ZINC000013730191 555603103 /nfs/dbraw/zinc/60/31/03/555603103.db2.gz WMRSGWFAUQIDFT-UHFFFAOYSA-N 0 0 460.361 4.167 50 0 JIAARN COc1cccc(-n2cnnc2SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 ZINC000010037328 555603709 /nfs/dbraw/zinc/60/37/09/555603709.db2.gz CBNDBTUZRJAYAO-UHFFFAOYSA-N 0 0 452.536 4.438 50 0 JIAARN COc1cc(-c2nc(C)c(C(=O)Nc3ccc(Cn4cncn4)cc3)s2)cc(OC)c1OC 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/nfs/dbraw/zinc/61/31/51/555613151.db2.gz SWTRLLRDWRXCSC-WVWKGNOCSA-N 0 0 466.990 4.185 50 0 JIAARN CCc1cccc(CC)c1NC(=O)COC(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000010071081 555614651 /nfs/dbraw/zinc/61/46/51/555614651.db2.gz DEBUBXRXWYVSSA-UHFFFAOYSA-N 0 0 488.650 4.204 50 0 JIAARN CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000010076495 555615386 /nfs/dbraw/zinc/61/53/86/555615386.db2.gz VADOIGUPERTJRY-UHFFFAOYSA-N 0 0 491.661 4.197 50 0 JIAARN CCn1cc(-c2cc(C(=O)N3CCN(Cc4cccc(F)c4F)CC3)c3ccccc3n2)cn1 ZINC000020045486 555616228 /nfs/dbraw/zinc/61/62/28/555616228.db2.gz YNNYBGLQLGVZIR-UHFFFAOYSA-N 0 0 461.516 4.354 50 0 JIAARN CCCCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccccc1 ZINC000013786378 555619083 /nfs/dbraw/zinc/61/90/83/555619083.db2.gz YDMPBXQQKYUMHP-VHXPQNKSSA-N 0 0 457.621 4.270 50 0 JIAARN O=C(C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)Nc1cc(Cl)cc(Cl)c1 ZINC000013811640 555628430 /nfs/dbraw/zinc/62/84/30/555628430.db2.gz RRLJNUXGCNKSCN-SLFFLAALSA-N 0 0 460.361 4.274 50 0 JIAARN COc1cccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000010119462 555630716 /nfs/dbraw/zinc/63/07/16/555630716.db2.gz LNPUAERLFUMCGB-UHFFFAOYSA-N 0 0 487.375 4.461 50 0 JIAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@H](C)c1ccccc1)Cc1ccccc1 ZINC000013856356 555634731 /nfs/dbraw/zinc/63/47/31/555634731.db2.gz MEMNCZZDCUKDLJ-HXUWFJFHSA-N 0 0 452.576 4.072 50 0 JIAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000010140979 555636437 /nfs/dbraw/zinc/63/64/37/555636437.db2.gz YKTXVZVKPBMUGU-UHFFFAOYSA-N 0 0 485.890 4.419 50 0 JIAARN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N1CC(=O)Nc2ccccc21 ZINC000013858148 555636490 /nfs/dbraw/zinc/63/64/90/555636490.db2.gz KEJNGNWWQVMRKP-UHFFFAOYSA-N 0 0 490.368 4.174 50 0 JIAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3c[nH]c4ccccc34)sc2=N1 ZINC000013893304 555641236 /nfs/dbraw/zinc/64/12/36/555641236.db2.gz LTGYWTDMZBAOSO-VVOOWDFBSA-N 0 0 492.000 4.322 50 0 JIAARN CCOc1ccc(-c2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)sc2C)cc1 ZINC000010187032 555641738 /nfs/dbraw/zinc/64/17/38/555641738.db2.gz AYYGJJTXVKPGOW-KRWDZBQOSA-N 0 0 477.633 4.371 50 0 JIAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000010187010 555641784 /nfs/dbraw/zinc/64/17/84/555641784.db2.gz KDNRZPFEXUKVAO-SFHVURJKSA-N 0 0 453.545 4.348 50 0 JIAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010187176 555642451 /nfs/dbraw/zinc/64/24/51/555642451.db2.gz CIVONVRXOGJCOS-ZDUSSCGKSA-N 0 0 498.007 4.046 50 0 JIAARN Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N(C)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000013895593 555642803 /nfs/dbraw/zinc/64/28/03/555642803.db2.gz KTOKAWAMJWNMKW-CYFREDJKSA-N 0 0 469.541 4.126 50 0 JIAARN O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010187240 555643019 /nfs/dbraw/zinc/64/30/19/555643019.db2.gz GBWOOYGIPXJIQD-INIZCTEOSA-N 0 0 493.010 4.122 50 0 JIAARN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc6c(c5)OCO6)c(=O)n42)c2ccccc2CC3)c1 ZINC000013915794 555647231 /nfs/dbraw/zinc/64/72/31/555647231.db2.gz OHZRXTLLBVFRDZ-XGLZOBASSA-N 0 0 494.572 4.056 50 0 JIAARN O=C(Cc1csc(-c2cccc(F)c2)n1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000010216810 555649547 /nfs/dbraw/zinc/64/95/47/555649547.db2.gz UYPMCKGPUNRVIO-UHFFFAOYSA-N 0 0 467.522 4.098 50 0 JIAARN O=C(N[C@@H](N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000020113807 555651391 /nfs/dbraw/zinc/65/13/91/555651391.db2.gz FXDKVKYFDUCLJH-CFZJUORYSA-N 0 0 475.203 4.047 50 0 biogenic JIAARN CCOc1ccc(OCC)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)c1 ZINC000020116409 555653906 /nfs/dbraw/zinc/65/39/06/555653906.db2.gz GLCGLOVMTMEERN-HXUWFJFHSA-N 0 0 474.604 4.074 50 0 JIAARN CCOc1ccc(N(CC(=O)NCCSCc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000013943923 555655326 /nfs/dbraw/zinc/65/53/26/555655326.db2.gz KDJWRWPNOFKIMQ-UHFFFAOYSA-N 0 0 491.462 4.208 50 0 JIAARN COC(=O)[C@H](N[C@H]1C2=C(CCCC2)C(=O)N1CCc1ccc(Cl)cc1)c1cccc(OC)c1 ZINC000020130617 555655777 /nfs/dbraw/zinc/65/57/77/555655777.db2.gz QKZARSOBQATHQV-DNQXCXABSA-N 0 0 468.981 4.434 50 0 JIAARN COc1cc(SC)ccc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 ZINC000013944400 555655854 /nfs/dbraw/zinc/65/58/54/555655854.db2.gz MGILKGSGPLFXEL-AWEZNQCLSA-N 0 0 454.577 4.350 50 0 JIAARN CCc1ccccc1N1C[C@@H](c2nnc(NC(=O)c3ccc(NC(=O)C(C)C)cc3)s2)CC1=O ZINC000013944554 555656457 /nfs/dbraw/zinc/65/64/57/555656457.db2.gz PLYAAKFHMPNUNL-SFHVURJKSA-N 0 0 477.590 4.468 50 0 JIAARN COc1ccc(CCC(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)s2)cc1 ZINC000013944634 555656741 /nfs/dbraw/zinc/65/67/41/555656741.db2.gz RHTHLDBVZMZMHB-HNNXBMFYSA-N 0 0 456.955 4.292 50 0 JIAARN CC1(C)Cc2nc(NC(=O)[C@@H]3CC(=O)N(CCc4c[nH]c5ccc(Cl)cc45)C3)sc2C(=O)C1 ZINC000013944791 555656936 /nfs/dbraw/zinc/65/69/36/555656936.db2.gz AHWOMQLCRAQGON-CQSZACIVSA-N 0 0 485.009 4.463 50 0 JIAARN 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555971814 /nfs/dbraw/zinc/97/18/14/555971814.db2.gz AWHYGALZLULPPM-UHFFFAOYSA-N 0 0 472.632 4.293 50 0 JIAARN COc1ccc(N(Cc2cc(CN3CCOCC3)cs2)S(=O)(=O)c2ccccc2C)cc1 ZINC000015730213 555971950 /nfs/dbraw/zinc/97/19/50/555971950.db2.gz JCEBEYVSQVQWOH-UHFFFAOYSA-N 0 0 472.632 4.293 50 0 JIAARN CCCC[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(Cc3nc4ccccc4s3)CC2)C1=O ZINC000022918562 555972417 /nfs/dbraw/zinc/97/24/17/555972417.db2.gz VFQFHDGMTJBXSM-SANMLTNESA-N 0 0 477.634 4.009 50 0 JIAARN CCOc1cc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc(OCC)c1OCC ZINC000015730571 555972638 /nfs/dbraw/zinc/97/26/38/555972638.db2.gz GXDIZJCGSLTDOH-HNNXBMFYSA-N 0 0 494.635 4.184 50 0 JIAARN CCc1ccccc1NC(=O)CN1CCN(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)CC1 ZINC000022919286 555973324 /nfs/dbraw/zinc/97/33/24/555973324.db2.gz JUFSJAOTNWMPQP-HSZRJFAPSA-N 0 0 484.644 4.350 50 0 JIAARN CCOc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)Nc3ccc(C(C)C)cc3)n2)cc1 ZINC000015732636 555976995 /nfs/dbraw/zinc/97/69/95/555976995.db2.gz 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O=C(c1ccc(I)cc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F ZINC000015745986 555984308 /nfs/dbraw/zinc/98/43/08/555984308.db2.gz ZBEKRMRREMZJDL-INIZCTEOSA-N 0 0 494.638 4.446 50 0 JIAARN Cc1cc(=S)n(CN2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c(C(C)C)n1 ZINC000022934510 555986932 /nfs/dbraw/zinc/98/69/32/555986932.db2.gz XTFLEYANAWFQBE-UHFFFAOYSA-N 0 0 483.560 4.157 50 0 JIAARN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000022934751 555987421 /nfs/dbraw/zinc/98/74/21/555987421.db2.gz CBYAAOUGYOOZPV-INIZCTEOSA-N 0 0 459.472 4.073 50 0 JIAARN CC(C)c1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000015768928 555987578 /nfs/dbraw/zinc/98/75/78/555987578.db2.gz ULPXSQMMLCBYPZ-QGZVFWFLSA-N 0 0 454.592 4.300 50 0 JIAARN Cc1cc(NC(=O)C2=C(C)N(c3cc(C)ccc3C)C(=S)N[C@@H]2c2cc(C#N)n(C)c2C)no1 ZINC000012512578 555991430 /nfs/dbraw/zinc/99/14/30/555991430.db2.gz KGAXAWMOVVGANU-HSZRJFAPSA-N 0 0 474.590 4.467 50 0 JIAARN CCCc1nn2c(nc(COC(=O)c3cccc(NC(=O)c4ccccc4Cl)c3)cc2=O)s1 ZINC000015772421 555991593 /nfs/dbraw/zinc/99/15/93/555991593.db2.gz DDTGTTVVRDYIGI-UHFFFAOYSA-N 0 0 482.949 4.366 50 0 JIAARN CCCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3ccccc3Cl)cc2=O)s1 ZINC000015772461 555991661 /nfs/dbraw/zinc/99/16/61/555991661.db2.gz OPZNKYFDMBHTQB-UHFFFAOYSA-N 0 0 482.949 4.366 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3CCCO3)ccc2C)cc1Br ZINC000012526351 555994818 /nfs/dbraw/zinc/99/48/18/555994818.db2.gz FLMFMFNHFDEAOG-GOSISDBHSA-N 0 0 483.384 4.075 50 0 JIAARN COc1ccc(CN2CCN(C(=O)c3sc(-c4ccc(OC)c(OC)c4)nc3C)CC2)cc1 ZINC000022989686 555995805 /nfs/dbraw/zinc/99/58/05/555995805.db2.gz YYHNOOWEUYWXLO-UHFFFAOYSA-N 0 0 467.591 4.102 50 0 JIAARN COc1ccccc1OCCNC(=O)CSc1nnc([C@H](C)N2CCCCC2)n1-c1ccccc1 ZINC000012527633 555995903 /nfs/dbraw/zinc/99/59/03/555995903.db2.gz YJWGWDBOAZMQFT-FQEVSTJZSA-N 0 0 495.649 4.110 50 0 JIAARN O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012527717 555996321 /nfs/dbraw/zinc/99/63/21/555996321.db2.gz HCLHANGAFJAVAA-GOSISDBHSA-N 0 0 483.556 4.223 50 0 JIAARN CCOc1ccc2nc(N(CCN3CCOCC3)C(=O)c3nc4ccccc4s3)sc2c1 ZINC000022998470 555998570 /nfs/dbraw/zinc/99/85/70/555998570.db2.gz KODUQRLZSVSFRJ-UHFFFAOYSA-N 0 0 468.604 4.284 50 0 JIAARN COc1ccc(CCC(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000015780985 555999837 /nfs/dbraw/zinc/99/98/37/555999837.db2.gz ZSSGYQBQYHSSPQ-JOCHJYFZSA-N 0 0 461.580 4.468 50 0 JIAARN CC(C)(C)OC(=O)N1CCC(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)CC1 ZINC000023012921 555999845 /nfs/dbraw/zinc/99/98/45/555999845.db2.gz YSHSPMTXEYCZFE-UHFFFAOYSA-N 0 0 456.583 4.259 50 0 JIAARN CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1 ZINC000015781340 556000484 /nfs/dbraw/zinc/00/04/84/556000484.db2.gz WQJVBTUILLSWRW-UHFFFAOYSA-N 0 0 462.618 4.253 50 0 JIAARN Cc1oc(-c2ccccc2C)nc1CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000015783002 556001383 /nfs/dbraw/zinc/00/13/83/556001383.db2.gz CJNPIWMJLLXUHW-UHFFFAOYSA-N 0 0 483.615 4.382 50 0 JIAARN CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(C)C)C(=O)N32)cc1 ZINC000015783519 556001885 /nfs/dbraw/zinc/00/18/85/556001885.db2.gz KKQDSNFUCYALSJ-HXUWFJFHSA-N 0 0 450.564 4.462 50 0 JIAARN COC(=O)c1ccc2c(c1)N(CC(=O)Nc1cc(OC)cc(OC)c1)C(=O)c1ccccc1S2 ZINC000015784986 556004140 /nfs/dbraw/zinc/00/41/40/556004140.db2.gz MQXLILIXBHNYJB-UHFFFAOYSA-N 0 0 478.526 4.241 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1c1cccc(C)c1 ZINC000012532974 556004311 /nfs/dbraw/zinc/00/43/11/556004311.db2.gz FTRSHOMZGGURHG-HTAPYJJXSA-N 0 0 470.982 4.284 50 0 JIAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2OCC(=O)N2CCCC2)c(OC)c1 ZINC000012533024 556004585 /nfs/dbraw/zinc/00/45/85/556004585.db2.gz DMFHPBMYQSKJEN-HHHXNRCGSA-N 0 0 487.556 4.476 50 0 JIAARN CCOC(=O)c1sc(NC(=O)COC(=O)CCSc2ccccc2)c(C(=O)OCC)c1C ZINC000012533244 556004879 /nfs/dbraw/zinc/00/48/79/556004879.db2.gz QPCUHLDQMSPSMG-UHFFFAOYSA-N 0 0 479.576 4.074 50 0 JIAARN C[C@@H]1CCn2c3ccc(C(=O)NCCN4CCN(c5cccc(C(F)(F)F)c5)CC4)cc3nc2C1 ZINC000015786938 556006335 /nfs/dbraw/zinc/00/63/35/556006335.db2.gz IGZTZMRVGXVVMI-GOSISDBHSA-N 0 0 485.554 4.189 50 0 JIAARN Cn1ncc2c1ncnc2N1CCN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CC1 ZINC000012534720 556006965 /nfs/dbraw/zinc/00/69/65/556006965.db2.gz XFQGKVGTAQFCIF-UHFFFAOYSA-N 0 0 495.559 4.384 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccncc3)c2)cc1Br ZINC000012536108 556008879 /nfs/dbraw/zinc/00/88/79/556008879.db2.gz RYIUGADSEOGXMZ-UHFFFAOYSA-N 0 0 476.352 4.296 50 0 JIAARN CCCNC(=O)[C@@H](C)OC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 ZINC000015805604 556009050 /nfs/dbraw/zinc/00/90/50/556009050.db2.gz JVRRQFSKYVWUCS-MRXNPFEDSA-N 0 0 470.953 4.301 50 0 JIAARN O=C(Nc1ccc2c(c1)OCCCO2)C1CCC(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000015810102 556009352 /nfs/dbraw/zinc/00/93/52/556009352.db2.gz FQSIAYNEZADZKO-UHFFFAOYSA-N 0 0 466.534 4.393 50 0 JIAARN COc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)NC(=O)NC3CCCC3)c3ccccc3n2)cc1OC ZINC000015811026 556009360 /nfs/dbraw/zinc/00/93/60/556009360.db2.gz GYXFCYWTKRVTSY-MRXNPFEDSA-N 0 0 491.544 4.233 50 0 JIAARN COc1ccc(NC(=O)c2ccccc2N[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000012536499 556009575 /nfs/dbraw/zinc/00/95/75/556009575.db2.gz PDWVBDSRYNNTNC-IBGZPJMESA-N 0 0 474.561 4.223 50 0 JIAARN CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(N2CCOCC2)n1-c1ccc(C)cc1 ZINC000012537639 556010628 /nfs/dbraw/zinc/01/06/28/556010628.db2.gz SXGMEGSAJHKJFQ-UHFFFAOYSA-N 0 0 492.070 4.268 50 0 JIAARN Cc1cccn2cc(COc3cccc(C(=O)Nc4ccccc4C(=O)NC[C@@H]4CCCO4)c3)nc12 ZINC000012539453 556012497 /nfs/dbraw/zinc/01/24/97/556012497.db2.gz UVMOOZXWXCDXFG-QHCPKHFHSA-N 0 0 484.556 4.383 50 0 JIAARN O=Cc1c(-c2ccc(Br)cc2)nn2ccnc(N3CCN(c4ccc(F)cc4)CC3)c12 ZINC000015829448 556016164 /nfs/dbraw/zinc/01/61/64/556016164.db2.gz SQLOBMMSJWRXNE-UHFFFAOYSA-N 0 0 480.341 4.437 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccccc3F)c12 ZINC000023128260 556017309 /nfs/dbraw/zinc/01/73/09/556017309.db2.gz ILRIONFTRFZCMV-KRWDZBQOSA-N 0 0 482.512 4.297 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(F)cc3F)c12 ZINC000023128240 556017314 /nfs/dbraw/zinc/01/73/14/556017314.db2.gz IEXIBJULFKCHFZ-KRWDZBQOSA-N 0 0 482.512 4.297 50 0 JIAARN Cc1ccc2oc(C(=O)N(Cc3ccc(C(C)(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000015831193 556017366 /nfs/dbraw/zinc/01/73/66/556017366.db2.gz NYBYTPJCYJOSKD-HXUWFJFHSA-N 0 0 467.587 4.228 50 0 JIAARN O=C(COc1ccc(-c2cnccn2)cc1CN1CCOCC1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000023128611 556018054 /nfs/dbraw/zinc/01/80/54/556018054.db2.gz XOINIPAQCIDUJS-XMMPIXPASA-N 0 0 486.616 4.151 50 0 JIAARN CC(=O)c1ccc(N2CCN(Cc3nc(=O)c4c(-c5cccs5)csc4[nH]3)CC2)c(F)c1 ZINC000012543884 556020222 /nfs/dbraw/zinc/02/02/22/556020222.db2.gz HVVAQUOEFSNPHQ-UHFFFAOYSA-N 0 0 468.579 4.377 50 0 JIAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(Cl)c1)N(CCCN1CCOCC1)C3=O ZINC000015838123 556021707 /nfs/dbraw/zinc/02/17/07/556021707.db2.gz FIOYFVRTDYNTGA-QHCPKHFHSA-N 0 0 466.965 4.331 50 0 JIAARN CCOC(=O)c1csc(NC(=O)C2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)n1 ZINC000023143209 556022568 /nfs/dbraw/zinc/02/25/68/556022568.db2.gz CCJWXQFOWNCYNO-UHFFFAOYSA-N 0 0 471.970 4.285 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(-c4cn5ccccc5n4)cc3)c2)C[C@H](C)O1 ZINC000012547713 556024730 /nfs/dbraw/zinc/02/47/30/556024730.db2.gz FYVRVCPLABWVJD-KDURUIRLSA-N 0 0 490.585 4.052 50 0 JIAARN NC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153820 556024935 /nfs/dbraw/zinc/02/49/35/556024935.db2.gz IJHGUGXIPUHLGT-UHFFFAOYSA-N 0 0 476.421 4.482 50 0 JIAARN Cc1ccc2c(c1)-n1c(-c3ccccc3C)c3c(c1[C@@H](c1ccccc1O)O2)n(C)c(=O)n(C)c3=O ZINC000015858849 556026623 /nfs/dbraw/zinc/02/66/23/556026623.db2.gz WGSCBVGRVZKTBU-HHHXNRCGSA-N 0 0 479.536 4.499 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3nc(CN4CCCC4)cs3)c2)cc1 ZINC000012548529 556026845 /nfs/dbraw/zinc/02/68/45/556026845.db2.gz HVQPKRCJVXOENI-UHFFFAOYSA-N 0 0 486.619 4.191 50 0 JIAARN C[C@@H](CNC(=O)c1cccc(Cl)c1)Oc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1 ZINC000023192408 556030142 /nfs/dbraw/zinc/03/01/42/556030142.db2.gz JBVJNZMMPWAAGV-NRFANRHFSA-N 0 0 479.024 4.250 50 0 JIAARN CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)cc2)cc1 ZINC000023221449 556031818 /nfs/dbraw/zinc/03/18/18/556031818.db2.gz UONPBBBWCDISHX-KRWDZBQOSA-N 0 0 472.497 4.200 50 0 JIAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1/C(Cl)=C/c1ccc(OC(F)F)cc1 ZINC000012551812 556033945 /nfs/dbraw/zinc/03/39/45/556033945.db2.gz LDLCPIRXGSJNKH-AQTBWJFISA-N 0 0 497.951 4.415 50 0 JIAARN Cc1noc(C)c1CC(=O)Nc1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1 ZINC000012552298 556035296 /nfs/dbraw/zinc/03/52/96/556035296.db2.gz RDTKPCLGCOIFDB-UHFFFAOYSA-N 0 0 478.368 4.344 50 0 JIAARN CCn1nnc2cc(C(=O)N3CCC(C(=O)Nc4ccc(Br)c(C)c4)CC3)ccc21 ZINC000015863245 556037256 /nfs/dbraw/zinc/03/72/56/556037256.db2.gz XVBUMYKDXBNKBW-UHFFFAOYSA-N 0 0 470.371 4.013 50 0 JIAARN COc1ccc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C3CCCC3)CC2)cc1OC 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556118974 /nfs/dbraw/zinc/11/89/74/556118974.db2.gz VKNUDTIQQBGHFP-UHFFFAOYSA-N 0 0 492.338 4.422 50 0 JIAARN CC(C)CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000024147913 556124453 /nfs/dbraw/zinc/12/44/53/556124453.db2.gz KLSJXKJWKOETDA-SANMLTNESA-N 0 0 490.600 4.485 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 ZINC000016044779 556125108 /nfs/dbraw/zinc/12/51/08/556125108.db2.gz UFIHQRYQFXKHCS-VAVYLYDRSA-N 0 0 496.567 4.149 50 0 JIAARN CCOC(=O)C1=C(COC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)NC(=O)N[C@@H]1C ZINC000016044787 556125131 /nfs/dbraw/zinc/12/51/31/556125131.db2.gz JAGISTQRBPFEDP-GFCCVEGCSA-N 0 0 485.949 4.292 50 0 JIAARN COc1ccccc1N(CC(=O)NC1CCCCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012908369 556127430 /nfs/dbraw/zinc/12/74/30/556127430.db2.gz RYSAUOGSUNYNOB-UHFFFAOYSA-N 0 0 470.513 4.358 50 0 JIAARN Cc1sc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)nc1-c1ccc(F)c(F)c1 ZINC000024293448 556128504 /nfs/dbraw/zinc/12/85/04/556128504.db2.gz 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COC(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)N1CCC[C@H](C)C1)n(CCc1ccccc1)c2=O ZINC000012912781 556131884 /nfs/dbraw/zinc/13/18/84/556131884.db2.gz KFXPXARSRPQNDH-RBUKOAKNSA-N 0 0 493.629 4.165 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)n(C)c1 ZINC000024469220 556131908 /nfs/dbraw/zinc/13/19/08/556131908.db2.gz DHWHYMLHJDWENQ-UHFFFAOYSA-N 0 0 452.989 4.085 50 0 JIAARN CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1cc(Br)ccc1Br ZINC000012913008 556132091 /nfs/dbraw/zinc/13/20/91/556132091.db2.gz AIRJDYDKFXNIFT-UHFFFAOYSA-N 0 0 485.201 4.218 50 0 JIAARN O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000024528734 556134968 /nfs/dbraw/zinc/13/49/68/556134968.db2.gz UCGCNXYYENCUCI-UHFFFAOYSA-N 0 0 480.815 4.157 50 0 JIAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000012916661 556135891 /nfs/dbraw/zinc/13/58/91/556135891.db2.gz PJVCFAYXHXLPHI-LJQANCHMSA-N 0 0 488.635 4.056 50 0 JIAARN Cc1sc2nc(SCC(=O)NC[C@@H]3CCCO3)n(-c3cc(C)ccc3C)c(=O)c2c1C ZINC000012918390 556137289 /nfs/dbraw/zinc/13/72/89/556137289.db2.gz QWIYIMLLAULUBL-KRWDZBQOSA-N 0 0 457.621 4.068 50 0 JIAARN CC(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1 ZINC000012920296 556139003 /nfs/dbraw/zinc/13/90/03/556139003.db2.gz PLRADIZLKAECBV-RUZDIDTESA-N 0 0 454.636 4.480 50 0 JIAARN Cc1cccc(CSCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1 ZINC000024608481 556139611 /nfs/dbraw/zinc/13/96/11/556139611.db2.gz ISZXAXUHDMUTIA-UHFFFAOYSA-N 0 0 481.083 4.240 50 0 JIAARN COc1ccc(-c2nnc([C@@H](C)OC(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc43)o2)cc1 ZINC000012921032 556139678 /nfs/dbraw/zinc/13/96/78/556139678.db2.gz ZCCBBFKQNGBSCQ-QGZVFWFLSA-N 0 0 482.496 4.421 50 0 JIAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608774 556139855 /nfs/dbraw/zinc/13/98/55/556139855.db2.gz BANQINMBBYKYAS-KRWDZBQOSA-N 0 0 492.041 4.049 50 0 JIAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCSCc3ccc(Cl)cc3)CC2)cc1 ZINC000024609241 556140137 /nfs/dbraw/zinc/14/01/37/556140137.db2.gz 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O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)N1CCC(Cc2ccccc2)CC1 ZINC000012924919 556143090 /nfs/dbraw/zinc/14/30/90/556143090.db2.gz IKFSQZYXYWQMSK-JOCHJYFZSA-N 0 0 477.630 4.149 50 0 JIAARN CCCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(C(C)C)C1=O ZINC000016570859 556143057 /nfs/dbraw/zinc/14/30/57/556143057.db2.gz MLBGNTKYLCRECZ-UHFFFAOYSA-O 0 0 486.379 4.270 50 0 JIAARN CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccc(OC)cc3OC)cc2)c1C(F)(F)F ZINC000024646534 556143702 /nfs/dbraw/zinc/14/37/02/556143702.db2.gz CXZNBYACGLJGJY-UHFFFAOYSA-N 0 0 463.412 4.337 50 0 JIAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc2c(c1)OCCO2 ZINC000012926977 556145155 /nfs/dbraw/zinc/14/51/55/556145155.db2.gz CTAAZBODYWTLBC-OAHLLOKOSA-N 0 0 472.950 4.403 50 0 JIAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1I ZINC000012926999 556145175 /nfs/dbraw/zinc/14/51/75/556145175.db2.gz IQLONAXKOLXWNE-UHFFFAOYSA-N 0 0 498.386 4.037 50 0 JIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 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/nfs/dbraw/zinc/14/70/33/556147033.db2.gz KVSYQSLZMDJWCG-UHFFFAOYSA-N 0 0 476.552 4.152 50 0 JIAARN CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3cccc(Br)c3)o2)s1 ZINC000024723645 556147174 /nfs/dbraw/zinc/14/71/74/556147174.db2.gz HFJDSNGACDNHHI-UHFFFAOYSA-N 0 0 452.355 4.172 50 0 JIAARN CCN1C(=S)N[C@H](c2cccc(NC(=O)Nc3ccccc3OC)c2)C(C(=O)OCCOC)=C1C ZINC000016611126 556147459 /nfs/dbraw/zinc/14/74/59/556147459.db2.gz JBLDLMISIONESO-JOCHJYFZSA-N 0 0 498.605 4.054 50 0 JIAARN CC(=O)c1sc(-c2ccc(OCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc2)nc1C ZINC000012930552 556147528 /nfs/dbraw/zinc/14/75/28/556147528.db2.gz MWRHCBANAZHJOK-UHFFFAOYSA-N 0 0 469.588 4.378 50 0 JIAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000012933336 556149385 /nfs/dbraw/zinc/14/93/85/556149385.db2.gz QTXHUKIEAPWYKJ-LBPRGKRZSA-N 0 0 451.470 4.239 50 0 JIAARN CCOc1ccccc1OCCCC(=O)N1CCC[C@@H]1C(=O)Nc1nc2ccccc2s1 ZINC000012934303 556149982 /nfs/dbraw/zinc/14/99/82/556149982.db2.gz JTZXUVWNCJZYLV-GOSISDBHSA-N 0 0 453.564 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/nfs/dbraw/zinc/26/84/33/556268433.db2.gz OMPZAARXKLPHCU-LEABRGHYSA-N 0 0 451.522 4.437 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000013071246 556269244 /nfs/dbraw/zinc/26/92/44/556269244.db2.gz KXBOPICRNIQTTM-FQEVSTJZSA-N 0 0 472.636 4.102 50 0 JIAARN COc1cc2c(cc1OC)CN(Cn1nc(COc3ccccc3Cl)n(C)c1=S)CC2 ZINC000013071213 556269309 /nfs/dbraw/zinc/26/93/09/556269309.db2.gz CLKSCARBCHGIRR-UHFFFAOYSA-N 0 0 460.987 4.216 50 0 JIAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)/C=C/c2ccccc2)cc1 ZINC000027017489 556269410 /nfs/dbraw/zinc/26/94/10/556269410.db2.gz DFZMSTNEGXQNGC-SKELBMGJSA-N 0 0 455.514 4.481 50 0 JIAARN CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)COc1ccc(C)cc1 ZINC000027018913 556269945 /nfs/dbraw/zinc/26/99/45/556269945.db2.gz YECJHNNDWNLJES-HSZRJFAPSA-N 0 0 473.529 4.155 50 0 JIAARN CN(C)C(=O)[C@@H](Sc1nnc(S[C@H](C(=O)N(C)C)c2ccccc2)s1)c1ccccc1 ZINC000017889839 556270000 /nfs/dbraw/zinc/27/00/00/556270000.db2.gz YXFQUMUBNMJIGL-ROUUACIJSA-N 0 0 472.661 4.381 50 0 JIAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3nc4ccccc4n3c2=O)cc1 ZINC000027025931 556272508 /nfs/dbraw/zinc/27/25/08/556272508.db2.gz BMYQXSUDOPJRAT-HZHRSRAPSA-N 0 0 450.523 4.318 50 0 JIAARN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000017959994 556272877 /nfs/dbraw/zinc/27/28/77/556272877.db2.gz CHWQHTSFIVFQCL-NRFANRHFSA-N 0 0 483.659 4.319 50 0 JIAARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)NC(=O)c2ccc(OC)cc2)cc1 ZINC000013074687 556275466 /nfs/dbraw/zinc/27/54/66/556275466.db2.gz HZDJQFNQLFCPKZ-UHFFFAOYSA-N 0 0 461.543 4.482 50 0 JIAARN CC(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000018014696 556276496 /nfs/dbraw/zinc/27/64/96/556276496.db2.gz DNMCCTXZZVBRJY-DIFFPNOSSA-N 0 0 465.349 4.452 50 0 JIAARN CCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc(I)c1OC(C)=O ZINC000027500410 556281470 /nfs/dbraw/zinc/28/14/70/556281470.db2.gz SRZWXPSGFYJOLR-PXNMLYILSA-N 0 0 495.244 4.099 50 0 JIAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)COC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000013095455 556287666 /nfs/dbraw/zinc/28/76/66/556287666.db2.gz UGCRHHIZCDRJJK-NRFANRHFSA-N 0 0 488.606 4.040 50 0 JIAARN COc1cc(-c2nc3ccccc3c(=O)n2NC(=O)c2cccc(Cl)c2)cc(OC)c1OC ZINC000027527494 556288087 /nfs/dbraw/zinc/28/80/87/556288087.db2.gz PPQABIVSYNQPGJ-UHFFFAOYSA-N 0 0 465.893 4.127 50 0 JIAARN CC(C)CN1C(=O)C(=O)N(CC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)C1=O ZINC000013095793 556288620 /nfs/dbraw/zinc/28/86/20/556288620.db2.gz QBEWJNRUHOQDPH-QDEWSJHTSA-N 0 0 498.583 4.256 50 0 JIAARN CCN(CC)c1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2cc(OC)cc(OC)c2)cc1 ZINC000027527596 556288884 /nfs/dbraw/zinc/28/88/84/556288884.db2.gz MAYQZMHEOQHILX-UHFFFAOYSA-N 0 0 472.545 4.311 50 0 JIAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000018119073 556290003 /nfs/dbraw/zinc/29/00/03/556290003.db2.gz BDSFHGRANSJLTQ-ZIAGYGMSSA-N 0 0 462.955 4.445 50 0 JIAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000018161623 556296652 /nfs/dbraw/zinc/29/66/52/556296652.db2.gz YRWPGCHFSRJSMB-NDEPHWFRSA-N 0 0 479.584 4.155 50 0 JIAARN COc1ccccc1-c1nnc(SCC(=O)NC(=O)NC2CCCC2)n1-c1ccc(C)cc1 ZINC000013098797 556298318 /nfs/dbraw/zinc/29/83/18/556298318.db2.gz LQTLZDOVIWGGOY-UHFFFAOYSA-N 0 0 465.579 4.112 50 0 JIAARN COc1cc(C(=O)N[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C(C)C)cc(OC)c1OC ZINC000013098826 556298611 /nfs/dbraw/zinc/29/86/11/556298611.db2.gz LQSQWFAKNGFMHL-SFHVURJKSA-N 0 0 454.445 4.124 50 0 JIAARN COc1ccc2nc(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCCCCC4)c3)sc2c1 ZINC000013098950 556298967 /nfs/dbraw/zinc/29/89/67/556298967.db2.gz OZNYAENCOWJUHX-UHFFFAOYSA-N 0 0 475.592 4.131 50 0 JIAARN COc1ccc2cc([C@H](C)C(=O)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)ccc2c1 ZINC000013101608 556301977 /nfs/dbraw/zinc/30/19/77/556301977.db2.gz HZIHVCZHAZELTO-NRFANRHFSA-N 0 0 459.590 4.352 50 0 JIAARN COc1ccccc1C(=O)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000027664076 556303303 /nfs/dbraw/zinc/30/33/03/556303303.db2.gz YJOUHWGCNMKKOL-GOSISDBHSA-N 0 0 459.951 4.438 50 0 JIAARN O=C([C@H]1[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N[C@]1(O)c1ccc(F)cc1)C(F)(F)F ZINC000027754440 556306065 /nfs/dbraw/zinc/30/60/65/556306065.db2.gz BGTDTPVDGYXASI-CPUCHLNUSA-N 0 0 451.203 4.079 50 0 JIAARN Cc1cc2oc(=O)cc(COC(=O)CN3C(=O)N[C@]4(C[C@H](C)CC(C)(C)C4)C3=O)c2cc1C(C)C ZINC000013108975 556307142 /nfs/dbraw/zinc/30/71/42/556307142.db2.gz CBOJSYNBXOYVSD-JWIGPWBQSA-N 0 0 482.577 4.405 50 0 JIAARN CC(C)CN(C(=O)CSc1nnc(-c2ccccc2)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000013109923 556310467 /nfs/dbraw/zinc/31/04/67/556310467.db2.gz RHKBXHUQYWRHGU-LJQANCHMSA-N 0 0 469.632 4.061 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1cc(-c3ccco3)nc3ccccc31)CC2 ZINC000018225169 556313196 /nfs/dbraw/zinc/31/31/96/556313196.db2.gz GYAAMJIXIASNSV-UHFFFAOYSA-N 0 0 472.497 4.254 50 0 JIAARN COc1ccc(Sc2cc3c(cc2NS(=O)(=O)c2ccc(C)c(C)c2)n(C)c(=O)n3C)cc1 ZINC000028049340 556314572 /nfs/dbraw/zinc/31/45/72/556314572.db2.gz FZZRVDGVLSQMJT-UHFFFAOYSA-N 0 0 483.615 4.454 50 0 JIAARN O=C(CN1C(=O)COc2ccccc21)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000013112732 556315057 /nfs/dbraw/zinc/31/50/57/556315057.db2.gz GGCVPWGRAJFNOZ-IBGZPJMESA-N 0 0 459.933 4.495 50 0 JIAARN COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000018244928 556315275 /nfs/dbraw/zinc/31/52/75/556315275.db2.gz AJNYBWGJDCFVOJ-ROUUACIJSA-N 0 0 489.355 4.417 50 0 JIAARN COc1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c(OC)cc1Cl ZINC000028076613 556315574 /nfs/dbraw/zinc/31/55/74/556315574.db2.gz RWBPGARCTWPEAQ-UHFFFAOYSA-N 0 0 450.878 4.406 50 0 JIAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000013112921 556315956 /nfs/dbraw/zinc/31/59/56/556315956.db2.gz SEMHBJWOPFAAIH-DFXYEROKSA-N 0 0 481.596 4.433 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O[C@H](C)c3nc4ccccc4c(=O)[nH]3)cc2)cc1 ZINC000018268831 556317996 /nfs/dbraw/zinc/31/79/96/556317996.db2.gz GRJLZZUUZODPAF-MRXNPFEDSA-N 0 0 493.541 4.041 50 0 JIAARN Nn1c(COc2ccc(Cl)cc2)nnc1SCc1nnc(-c2ccc(Br)cc2)o1 ZINC000013114426 556319141 /nfs/dbraw/zinc/31/91/41/556319141.db2.gz OCLNMPNLDYTLSR-UHFFFAOYSA-N 0 0 493.774 4.329 50 0 JIAARN Cc1ccc(C)c(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1 ZINC000018411674 556320712 /nfs/dbraw/zinc/32/07/12/556320712.db2.gz DSKYRJUHOLIFGC-DEOSSOPVSA-N 0 0 460.530 4.323 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(-c3ccco3)n1Cc1ccccc1)CC2 ZINC000013117196 556325838 /nfs/dbraw/zinc/32/58/38/556325838.db2.gz IUCFBCIGCXIGCW-UHFFFAOYSA-N 0 0 490.585 4.281 50 0 JIAARN CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C2CC2)s1 ZINC000018965157 556326223 /nfs/dbraw/zinc/32/62/23/556326223.db2.gz IDCATYKZGUTZPF-UHFFFAOYSA-N 0 0 455.605 4.430 50 0 JIAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000013117809 556329589 /nfs/dbraw/zinc/32/95/89/556329589.db2.gz XIKQMWWONTYHAS-UHFFFAOYSA-N 0 0 452.498 4.299 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)Nc1cccc2nsnc21 ZINC000019078415 556329807 /nfs/dbraw/zinc/32/98/07/556329807.db2.gz LSKUSACJYVJHGZ-UHFFFAOYSA-N 0 0 477.546 4.319 50 0 JIAARN COc1ccc(CC[C@]2(C)NC(=O)N(CN3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000013120676 556333513 /nfs/dbraw/zinc/33/35/13/556333513.db2.gz JLKJZVXUICLRNM-SANMLTNESA-N 0 0 478.618 4.385 50 0 JIAARN CCn1nc(C(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)c2ccccc2c1=O ZINC000013120843 556334531 /nfs/dbraw/zinc/33/45/31/556334531.db2.gz PLAXGINQNSBMIH-UHFFFAOYSA-N 0 0 457.530 4.276 50 0 JIAARN COc1ccc(CN(C(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)C2CC2)cc1 ZINC000013120929 556334721 /nfs/dbraw/zinc/33/47/21/556334721.db2.gz HSCKRPSXBOBPFV-UHFFFAOYSA-N 0 0 463.534 4.464 50 0 JIAARN O=C(Cn1nnc(COc2ccccc2)n1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000013121181 556336198 /nfs/dbraw/zinc/33/61/98/556336198.db2.gz SFRQXHKQZALLBC-UHFFFAOYSA-N 0 0 496.449 4.162 50 0 JIAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1 ZINC000013121218 556336493 /nfs/dbraw/zinc/33/64/93/556336493.db2.gz OEQXLTHKPLGOSR-UHFFFAOYSA-N 0 0 478.452 4.214 50 0 JIAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)n2N)c1C ZINC000013121239 556336587 /nfs/dbraw/zinc/33/65/87/556336587.db2.gz WAXGTOFXVGZFLN-UHFFFAOYSA-N 0 0 455.584 4.125 50 0 JIAARN Cc1c(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)c(=O)n(-c2ccccc2)n1C ZINC000028647024 556339008 /nfs/dbraw/zinc/33/90/08/556339008.db2.gz FSAMBPAAIDEDHX-NRFANRHFSA-N 0 0 468.557 4.129 50 0 JIAARN COc1ccccc1[C@@H]1c2c(C)nn(-c3ccccc3)c2NC(=O)[C@@H]1NC(=O)c1ccccc1 ZINC000013123245 556339297 /nfs/dbraw/zinc/33/92/97/556339297.db2.gz RJBCZQQZWFPJEV-DNQXCXABSA-N 0 0 452.514 4.072 50 0 JIAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nnc(-c2cc(Cl)ccc2O)n1C ZINC000013124685 556340470 /nfs/dbraw/zinc/34/04/70/556340470.db2.gz JQOAAESCIOFUED-UHFFFAOYSA-N 0 0 482.997 4.434 50 0 JIAARN O=C(CSc1nnc2ccccn21)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000013126911 556342388 /nfs/dbraw/zinc/34/23/88/556342388.db2.gz 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/nfs/dbraw/zinc/52/80/86/556528086.db2.gz SGYTZVACIJJRBW-LJQANCHMSA-N 0 0 456.546 4.202 50 0 JIAARN C[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000032901712 556529172 /nfs/dbraw/zinc/52/91/72/556529172.db2.gz UNZINRWXJPHJRC-MRXNPFEDSA-N 0 0 495.008 4.004 50 0 JIAARN CCc1nc2ccccc2n1CC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC ZINC000032910902 556535263 /nfs/dbraw/zinc/53/52/63/556535263.db2.gz WYNXYIYJHZLTQF-UHFFFAOYSA-N 0 0 492.601 4.461 50 0 JIAARN COc1cccc(-n2c(S[C@H](C)c3nnnn3-c3ccccc3)nc3ccccc3c2=O)c1 ZINC000032915342 556538777 /nfs/dbraw/zinc/53/87/77/556538777.db2.gz IJIUCQDWYKRIEE-MRXNPFEDSA-N 0 0 456.531 4.223 50 0 JIAARN COCCn1c(S[C@@H](C)C(=O)c2ccc(C)c(C)c2)nc2cc(C(=O)NCC(C)C)ccc2c1=O ZINC000032944353 556557831 /nfs/dbraw/zinc/55/78/31/556557831.db2.gz AULWTSCCZLEVCH-IBGZPJMESA-N 0 0 495.645 4.409 50 0 JIAARN COc1ccc(C2=NN(C(=O)CSc3nnc(-c4ccncc4)o3)[C@H](c3ccco3)C2)cc1 ZINC000032945273 556560284 /nfs/dbraw/zinc/56/02/84/556560284.db2.gz ANUIAFJGCIZMSO-IBGZPJMESA-N 0 0 461.503 4.203 50 0 JIAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000032948767 556564658 /nfs/dbraw/zinc/56/46/58/556564658.db2.gz KXILPMPOQCROCQ-LJQANCHMSA-N 0 0 464.518 4.417 50 0 JIAARN COc1ccc(C[C@@H](Cc2ccc3c(c2)OCO3)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000032949280 556565179 /nfs/dbraw/zinc/56/51/79/556565179.db2.gz DTOMTBPLFDYABO-FQEVSTJZSA-N 0 0 479.529 4.034 50 0 biogenic JIAARN CCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000032958283 556572220 /nfs/dbraw/zinc/57/22/20/556572220.db2.gz HXSSKHRTTRUARL-LBPRGKRZSA-N 0 0 457.939 4.154 50 0 JIAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C(=O)NCCc3ccc(Cl)cc3)cc1)c2=O ZINC000032959285 556576129 /nfs/dbraw/zinc/57/61/29/556576129.db2.gz HRDYEVSZKFSIAI-UHFFFAOYSA-N 0 0 493.972 4.087 50 0 JIAARN C[C@H]1CN(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c2cc(Cl)ccc2O1 ZINC000008588426 562941432 /nfs/dbraw/zinc/94/14/32/562941432.db2.gz WXKGGQRXFSPAHK-IBGZPJMESA-N 0 0 483.012 4.108 50 0 JIAARN CCN(CC)C(=O)CSc1nc(-c2ccc(C)cc2)nc2c1Cc1c(CO)cnc(C)c1O2 ZINC000008589070 562941835 /nfs/dbraw/zinc/94/18/35/562941835.db2.gz LGJXOXNURRRNEC-UHFFFAOYSA-N 0 0 464.591 4.305 50 0 JIAARN O=S(=O)(c1nnn2c3ccsc3c(NCc3cccs3)nc12)c1ccc(Cl)cc1 ZINC000008589351 562942029 /nfs/dbraw/zinc/94/20/29/562942029.db2.gz BKTIMQBBWPUUCH-UHFFFAOYSA-N 0 0 461.981 4.499 50 0 JIAARN CCCCNc1nc2c(S(=O)(=O)c3ccc(Br)cc3)nnn2c2ccsc21 ZINC000008589512 562942103 /nfs/dbraw/zinc/94/21/03/562942103.db2.gz TUGRPKXYLBQFCU-UHFFFAOYSA-N 0 0 466.386 4.146 50 0 JIAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(Br)c1 ZINC000008589916 562942440 /nfs/dbraw/zinc/94/24/40/562942440.db2.gz LKMPVSRBWBYJOD-OAQYLSRUSA-N 0 0 497.349 4.111 50 0 JIAARN COc1ccc(-c2nc3n(n2)[C@H](c2ccccc2F)C(C(=O)Nc2cccnc2)=C(C)N3)cc1OC ZINC000008589957 562942490 /nfs/dbraw/zinc/94/24/90/562942490.db2.gz KEPISIGRMWZKSU-HSZRJFAPSA-N 0 0 486.507 4.424 50 0 JIAARN COc1ccc2c(c1)c1c(c(=O)n(-c3ccc(OC)c(OC)c3)c(=O)n1Cc1ccccc1C)n2C ZINC000008592030 562943098 /nfs/dbraw/zinc/94/30/98/562943098.db2.gz KKRPXMFSEQFTGW-UHFFFAOYSA-N 0 0 485.540 4.027 50 0 JIAARN CSc1nn(Cc2ccc(Cl)cc2)c(N(C(C)=O)C(C)=O)c1S(=O)(=O)c1ccccc1 ZINC000008592450 562943194 /nfs/dbraw/zinc/94/31/94/562943194.db2.gz OOCIZDKMWFAODM-UHFFFAOYSA-N 0 0 477.995 4.039 50 0 JIAARN O=C(Cn1c2c3ccccc3sc2c(=O)n(Cc2ccccc2)c1=O)Nc1ccc(F)cc1 ZINC000008592712 562943278 /nfs/dbraw/zinc/94/32/78/562943278.db2.gz GQMXWZCKYLXJNJ-UHFFFAOYSA-N 0 0 459.502 4.204 50 0 JIAARN Cc1cc(C)cc(N2C(=O)CS[C@@]23c2ccccc2N(CC(=O)NC2CCCCC2)C3=O)c1 ZINC000008595703 562944103 /nfs/dbraw/zinc/94/41/03/562944103.db2.gz KSMQBAMAKVDSIK-AREMUKBSSA-N 0 0 463.603 4.032 50 0 JIAARN CCOc1ccc(NC(=O)CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(F)cc3)C2=O)cc1 ZINC000008595753 562944125 /nfs/dbraw/zinc/94/41/25/562944125.db2.gz KHLRUJCLQWYKMT-SANMLTNESA-N 0 0 491.544 4.143 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c2nc(-c3ccccc3)nn2c1=O ZINC000008604278 562946248 /nfs/dbraw/zinc/94/62/48/562946248.db2.gz QVNOIFGFRMMKDF-UHFFFAOYSA-N 0 0 459.893 4.012 50 0 JIAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000008609119 562947219 /nfs/dbraw/zinc/94/72/19/562947219.db2.gz HYQPUCRWTLKZBP-UHFFFAOYSA-N 0 0 476.939 4.205 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008611373 562947681 /nfs/dbraw/zinc/94/76/81/562947681.db2.gz TYNJEMUBFDNILX-UHFFFAOYSA-N 0 0 450.926 4.413 50 0 JIAARN CCCN1c2ccccc2[C@]2(C1=O)c1c(oc3ccccc3c1=O)C(=O)N2CCCOC(C)C ZINC000008612099 562947850 /nfs/dbraw/zinc/94/78/50/562947850.db2.gz HCQYZAMPTQLLDB-HHHXNRCGSA-N 0 0 460.530 4.064 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000008614032 562948032 /nfs/dbraw/zinc/94/80/32/562948032.db2.gz AQYZNPQLVDFTJD-UHFFFAOYSA-N 0 0 469.950 4.302 50 0 JIAARN COc1ccc(CNC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1 ZINC000008670644 562949196 /nfs/dbraw/zinc/94/91/96/562949196.db2.gz HNPIVTZFUROLQK-UHFFFAOYSA-N 0 0 459.424 4.326 50 0 aggregator JIAARN COc1ccc([C@@H]2c3c(ccc4ccccc43)Oc3ncn(CCN4CCOCC4)c(=N)c32)cc1 ZINC000008671214 562949421 /nfs/dbraw/zinc/94/94/21/562949421.db2.gz MEZAVJNOAZTJPC-XMMPIXPASA-N 0 0 468.557 4.142 50 0 JIAARN CCCCn1c2ccccc2c2nnc(SCC(=O)NC3=NN=C(c4ccccc4)CS3)nc21 ZINC000008682409 562951445 /nfs/dbraw/zinc/95/14/45/562951445.db2.gz VWIVVYLFOLDUDZ-UHFFFAOYSA-N 0 0 489.630 4.495 50 0 aggregator JIAARN COc1ccc(NC(=O)CCCn2c(=O)c3sccc3n(Cc3ccccc3C)c2=O)cc1 ZINC000008682568 562951518 /nfs/dbraw/zinc/95/15/18/562951518.db2.gz JLVJXWWAKBZZDB-UHFFFAOYSA-N 0 0 463.559 4.009 50 0 JIAARN Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(F)ccc32)cc1 ZINC000008690989 562953955 /nfs/dbraw/zinc/95/39/55/562953955.db2.gz SULZVUVERDTJOJ-UHFFFAOYSA-N 0 0 464.518 4.229 50 0 aggregator JIAARN COc1ccc(N[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000008720676 562954795 /nfs/dbraw/zinc/95/47/95/562954795.db2.gz AYAYOZHKRWIRQV-HNNXBMFYSA-N 0 0 496.427 4.071 50 0 JIAARN COC(=O)[C@@H]1CCCCN1Cc1ccc2c(c1)CN(C(=O)c1cc(C)nc3cc(F)ccc31)CCO2 ZINC000011814725 562957775 /nfs/dbraw/zinc/95/77/75/562957775.db2.gz ATKZINWLQXREDP-VWLOTQADSA-N 0 0 491.563 4.245 50 0 JIAARN CN(C(=O)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1)[C@H]1CCOC1 ZINC000011996084 562958347 /nfs/dbraw/zinc/95/83/47/562958347.db2.gz SXJAKJROGNLBKY-HNNXBMFYSA-N 0 0 457.456 4.086 50 0 JIAARN C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Br)ccc32)CC1)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000040953486 563160248 /nfs/dbraw/zinc/16/02/48/563160248.db2.gz JSVNNLRZCJAYTQ-ORYQWCPZSA-N 0 0 497.437 4.037 50 0 in-vitro JIAARN CCCN(CCC)C(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(C)c(C)c3)cc2c1O ZINC000006181277 569588642 /nfs/dbraw/zinc/58/86/42/569588642.db2.gz VOGFAPYWOYINRR-UHFFFAOYSA-N 0 0 469.607 4.232 50 0 JIAARN O=S(=O)(c1ccc(NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1)N1CCOCC1 ZINC000006181546 569588767 /nfs/dbraw/zinc/58/87/67/569588767.db2.gz KOOQVZYOIBKKDJ-UHFFFAOYSA-N 0 0 493.614 4.060 50 0 JIAARN 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C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000035529875 569700282 /nfs/dbraw/zinc/70/02/82/569700282.db2.gz MEVZICQOSZKEAS-INIZCTEOSA-N 0 0 452.942 4.384 50 0 JIAARN CCc1ccccc1NC(=O)CSc1nnc2n1c1ccsc1c(=O)n2CCC(C)C ZINC000035531632 569700416 /nfs/dbraw/zinc/70/04/16/569700416.db2.gz LNFCNONKJLXSCV-UHFFFAOYSA-N 0 0 455.609 4.445 50 0 JIAARN COc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cc1 ZINC000035531463 569700446 /nfs/dbraw/zinc/70/04/46/569700446.db2.gz LRJDDJDSOVFGPG-UHFFFAOYSA-N 0 0 458.624 4.001 50 0 JIAARN CCCCn1c2nnc(SCC(=O)Nc3cccc(Br)c3)n2c2ccsc2c1=O ZINC000035532056 569700574 /nfs/dbraw/zinc/70/05/74/569700574.db2.gz ODKNDMDYRNPFGV-UHFFFAOYSA-N 0 0 492.424 4.399 50 0 JIAARN O=C(CSc1ncnc2nc(N3CCSCC3)sc21)Nc1ccc(Cl)cc1F ZINC000035532996 569701000 /nfs/dbraw/zinc/70/10/00/569701000.db2.gz VCQVIQMMLZGQRB-UHFFFAOYSA-N 0 0 455.993 4.163 50 0 JIAARN O=C(c1cc(Cl)ccc1Cl)N1CCC[C@H]1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000072276909 569701604 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OQWKUVAFVWSIMW-HNNXBMFYSA-N 0 0 490.582 4.162 50 0 JIAARN COc1ccc(NC(=O)C[C@@H]2SC3=NCN(c4ccc(C)c(C)c4)CN3C2=O)cc1Cl ZINC000072333627 569703240 /nfs/dbraw/zinc/70/32/40/569703240.db2.gz PCDHVBLVGZYWHH-IBGZPJMESA-N 0 0 458.971 4.029 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=C1SC(=O)N=C1Nc1cccc(Cl)c1 ZINC000072401994 569703716 /nfs/dbraw/zinc/70/37/16/569703716.db2.gz YEMSQKYSXURKNM-GESOSKEOSA-N 0 0 450.973 4.231 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NCCC2=CCCCC2)cc1 ZINC000035559467 569703815 /nfs/dbraw/zinc/70/38/15/569703815.db2.gz YOSICLZWGLMSQI-SANMLTNESA-N 0 0 495.645 4.330 50 0 JIAARN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@H](c1ccc(OC(=O)Cc3ccccc3)cc1)CC(=O)N2 ZINC000072404889 569703878 /nfs/dbraw/zinc/70/38/78/569703878.db2.gz HPLXFNLEYXUIPV-IBGZPJMESA-N 0 0 479.500 4.119 50 0 JIAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC1CCCCC1 ZINC000035559788 569704070 /nfs/dbraw/zinc/70/40/70/569704070.db2.gz LFULUYCNEIBEIJ-DEOSSOPVSA-N 0 0 483.634 4.081 50 0 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COc1cccc(C(=O)N2CCC[C@H]2C(=O)Nc2nnc(-c3cccc(Br)c3)s2)c1 ZINC000035724342 569708411 /nfs/dbraw/zinc/70/84/11/569708411.db2.gz QAUTZWDHCPNPCV-KRWDZBQOSA-N 0 0 487.379 4.220 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)Nc1cc(OC)cc(OC)c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000035725045 569708679 /nfs/dbraw/zinc/70/86/79/569708679.db2.gz XKKLEIATMIUSSD-VLIAUNLRSA-N 0 0 499.593 4.406 50 0 JIAARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000035728968 569708867 /nfs/dbraw/zinc/70/88/67/569708867.db2.gz VNUWSYJSCDMWRM-VRQAPCGNSA-N 0 0 483.937 4.410 50 0 JIAARN COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)c1cccc(F)c1 ZINC000035770251 569710650 /nfs/dbraw/zinc/71/06/50/569710650.db2.gz STAWZMDQAJYECP-UHFFFAOYSA-N 0 0 491.512 4.030 50 0 JIAARN CC[C@@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)CC)c1)C(=O)Nc1ccc(OC)cc1 ZINC000035770488 569710752 /nfs/dbraw/zinc/71/07/52/569710752.db2.gz BSRBABYIRRXTJV-MRXNPFEDSA-N 0 0 450.557 4.265 50 0 JIAARN CCOC(=O)CCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)[C@@H](C)CC ZINC000035773575 569710895 /nfs/dbraw/zinc/71/08/95/569710895.db2.gz ICUSRWKCKGPQLN-SFHVURJKSA-N 0 0 462.587 4.386 50 0 JIAARN Cc1[nH]c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000085598129 569711124 /nfs/dbraw/zinc/71/11/24/569711124.db2.gz BBPDRZMCVWECHN-UHFFFAOYSA-N 0 0 459.490 4.203 50 0 JIAARN COc1cc(OC)c(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCCCC3)c2C)cc1Cl ZINC000085598178 569711134 /nfs/dbraw/zinc/71/11/34/569711134.db2.gz HADFVMKFNDNTQW-UHFFFAOYSA-N 0 0 469.991 4.119 50 0 JIAARN CCc1ccc(-c2nc3sc(N(C)CC(=O)NCc4c[nH]nc4C)nn3c2NC(C)(C)C)cc1 ZINC000085609966 569711150 /nfs/dbraw/zinc/71/11/50/569711150.db2.gz DNPUATBFMDEQSP-UHFFFAOYSA-N 0 0 480.642 4.015 50 0 JIAARN CCOCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)C1CCC1 ZINC000035808221 569711951 /nfs/dbraw/zinc/71/19/51/569711951.db2.gz LSGDLBYJKZFGLR-UHFFFAOYSA-N 0 0 486.634 4.369 50 0 JIAARN CC(C)c1ccc(NC(=O)CCCn2nnc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 ZINC000085645391 569712260 /nfs/dbraw/zinc/71/22/60/569712260.db2.gz HFTXWLSYEJFMRZ-UHFFFAOYSA-N 0 0 469.611 4.148 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCCC4)CC3)c(C)s2)no1 ZINC000085650103 569712427 /nfs/dbraw/zinc/71/24/27/569712427.db2.gz IXKZNPIDENGATO-UHFFFAOYSA-N 0 0 494.683 4.299 50 0 JIAARN CCOC(=O)CC1(NC(=O)N2CCc3c(sc4nc(-c5ccc(OC)cc5)nn43)C2)CCCCC1 ZINC000085651401 569713207 /nfs/dbraw/zinc/71/32/07/569713207.db2.gz AFEJIEOGHOFTRQ-UHFFFAOYSA-N 0 0 497.621 4.190 50 0 JIAARN C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000085813200 569715525 /nfs/dbraw/zinc/71/55/25/569715525.db2.gz KBVMJVKVAKOUQX-OAHLLOKOSA-N 0 0 480.055 4.279 50 0 JIAARN COCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035844878 569715659 /nfs/dbraw/zinc/71/56/59/569715659.db2.gz JWWYVWQKZCTIHZ-UHFFFAOYSA-N 0 0 492.616 4.485 50 0 JIAARN Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035851641 569716433 /nfs/dbraw/zinc/71/64/33/569716433.db2.gz ZRHLKICJDXMAIH-ZHSNQQFMSA-N 0 0 489.881 4.098 50 0 JIAARN COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)ccc1OC(C)C ZINC000086057829 569717595 /nfs/dbraw/zinc/71/75/95/569717595.db2.gz UAILFWWPLRRGMK-KRWDZBQOSA-N 0 0 469.538 4.471 50 0 JIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)cc12 ZINC000089568290 569718923 /nfs/dbraw/zinc/71/89/23/569718923.db2.gz CYUUEEBSFDUIQD-LJQANCHMSA-N 0 0 452.605 4.260 50 0 JIAARN Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)ccc1Br ZINC000089587498 569718944 /nfs/dbraw/zinc/71/89/44/569718944.db2.gz RMRNRENCZVUFQP-UHFFFAOYSA-N 0 0 473.392 4.057 50 0 JIAARN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000089775803 569719637 /nfs/dbraw/zinc/71/96/37/569719637.db2.gz HMXJPBODKBQCBI-IGKIAQTJSA-N 0 0 477.649 4.211 50 0 JIAARN O=C(COc1ccc(C2SCCCS2)cc1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000089809629 569719942 /nfs/dbraw/zinc/71/99/42/569719942.db2.gz JAVHQDXHZHNXSW-UHFFFAOYSA-N 0 0 474.623 4.494 50 0 JIAARN O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000089845846 569720046 /nfs/dbraw/zinc/72/00/46/569720046.db2.gz JLZGPRLJBCTZIQ-UHFFFAOYSA-N 0 0 480.542 4.059 50 0 JIAARN COc1ccc(CCN2Cc3cc(NC(=O)Cc4ccc(F)cc4)ccc3O[C@@H](C)C2=O)cc1 ZINC000035884634 569720174 /nfs/dbraw/zinc/72/01/74/569720174.db2.gz CLNREATVENBUHT-SFHVURJKSA-N 0 0 462.521 4.368 50 0 JIAARN COc1ccccc1CCN1Cc2cc(NC(=O)COc3ccccc3)ccc2O[C@H](C)C1=O ZINC000035884873 569720277 /nfs/dbraw/zinc/72/02/77/569720277.db2.gz PMUVPJUVJLEZFO-LJQANCHMSA-N 0 0 460.530 4.065 50 0 JIAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O)c1cc2ccccc2o1 ZINC000089904644 569720335 /nfs/dbraw/zinc/72/03/35/569720335.db2.gz SRJPZEJWUYDTTG-YTEVENLXSA-N 0 0 460.317 4.384 50 0 JIAARN C[C@H]1CSC(N(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)=N1 ZINC000089941385 569720446 /nfs/dbraw/zinc/72/04/46/569720446.db2.gz MVQJABNWLDJLJC-OXJNMPFZSA-N 0 0 478.039 4.408 50 0 JIAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000089941461 569720479 /nfs/dbraw/zinc/72/04/79/569720479.db2.gz WEKMRWBFPONRIR-IRXDYDNUSA-N 0 0 482.533 4.150 50 0 JIAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000035889749 569721589 /nfs/dbraw/zinc/72/15/89/569721589.db2.gz CMRUAMLZDAROLC-UHFFFAOYSA-N 0 0 460.578 4.302 50 0 JIAARN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000095348742 569722387 /nfs/dbraw/zinc/72/23/87/569722387.db2.gz YJQJGKMTTCOVPE-SLLRVGBYSA-N 0 0 488.676 4.236 50 0 JIAARN COc1cc(CN(C)C(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OC(F)F ZINC000035903420 569723500 /nfs/dbraw/zinc/72/35/00/569723500.db2.gz DVZMFVHJSOZGRH-CYBMUJFWSA-N 0 0 497.589 4.492 50 0 JIAARN CCCCNC(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908313 569723988 /nfs/dbraw/zinc/72/39/88/569723988.db2.gz ASGYLOPDDRRCCP-UHFFFAOYSA-N 0 0 469.593 4.038 50 0 JIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(Cc2ccc(F)cc2)C(=O)[C@@H](C)O3)c(OC)c1 ZINC000035909081 569724381 /nfs/dbraw/zinc/72/43/81/569724381.db2.gz BUMJEUAKVAGEPU-MRXNPFEDSA-N 0 0 464.493 4.405 50 0 JIAARN CCCC(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000035908801 569724417 /nfs/dbraw/zinc/72/44/17/569724417.db2.gz UFVPQXVAWNLWTN-UHFFFAOYSA-N 0 0 454.578 4.163 50 0 JIAARN COc1ccccc1-c1ccc(=O)n(CC(=O)NCCC(c2ccccc2)c2ccccc2)n1 ZINC000095479345 569724515 /nfs/dbraw/zinc/72/45/15/569724515.db2.gz IKTUENFYRRYNHN-UHFFFAOYSA-N 0 0 453.542 4.257 50 0 JIAARN Cn1c(CCc2ccccc2)nc2cc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)ccc21 ZINC000095479383 569724538 /nfs/dbraw/zinc/72/45/38/569724538.db2.gz WAJGTRHRTKEYFF-JOCHJYFZSA-N 0 0 481.556 4.477 50 0 JIAARN COc1ccc(CC(=O)Nc2ccc3c(c2)CN(CCOc2ccccc2)C(=O)[C@@H](C)O3)cc1 ZINC000035909184 569724528 /nfs/dbraw/zinc/72/45/28/569724528.db2.gz FUCRBMMLMVFQNK-LJQANCHMSA-N 0 0 460.530 4.065 50 0 JIAARN COc1cccc(CN2Cc3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3O[C@@H](C)C2=O)c1 ZINC000035909279 569724544 /nfs/dbraw/zinc/72/45/44/569724544.db2.gz VHKWWZDZSFDLQK-KRWDZBQOSA-N 0 0 476.529 4.274 50 0 JIAARN COc1cccc(CN2Cc3cc(NC(=O)c4cccc(F)c4)ccc3OCC2=O)c1OC ZINC000035909774 569724939 /nfs/dbraw/zinc/72/49/39/569724939.db2.gz QXHUIGJBSRSLHA-UHFFFAOYSA-N 0 0 450.466 4.016 50 0 JIAARN COc1cccc(CN2Cc3cc(NC(=O)c4c(F)cccc4F)ccc3OCC2=O)c1OC ZINC000035909792 569724984 /nfs/dbraw/zinc/72/49/84/569724984.db2.gz BJSJSJZJIUSVRW-UHFFFAOYSA-N 0 0 468.456 4.156 50 0 JIAARN C[C@@H]1Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CN(Cc2cc(F)cc(F)c2)C1=O ZINC000035910018 569725258 /nfs/dbraw/zinc/72/52/58/569725258.db2.gz XUFNXSSKAFOGMB-AWEZNQCLSA-N 0 0 476.476 4.214 50 0 JIAARN COCC(=O)N1CCN(c2nc(CC(C)C)nc(C)c2Cc2ccc(Cl)cc2Cl)CC1 ZINC000095536077 569725632 /nfs/dbraw/zinc/72/56/32/569725632.db2.gz QCKBTJFYDJICJC-UHFFFAOYSA-N 0 0 465.425 4.176 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N[C@H](C)C(C)C)n3c2=O)nn1-c1ccccc1C ZINC000035911656 569726887 /nfs/dbraw/zinc/72/68/87/569726887.db2.gz ZRWOPOZDQCYRDS-QGZVFWFLSA-N 0 0 463.607 4.237 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCC(C)C)n3c2=O)nn1-c1ccc(C)cc1C ZINC000035911720 569726892 /nfs/dbraw/zinc/72/68/92/569726892.db2.gz VRKKRTFWNUWVNK-UHFFFAOYSA-N 0 0 463.607 4.157 50 0 JIAARN CCN1CCN(C(=O)c2cc3cc(NC(=O)c4ccco4)ccc3n2Cc2cccc(F)c2)CC1 ZINC000095545219 569726998 /nfs/dbraw/zinc/72/69/98/569726998.db2.gz CKDOOQZRNRWGLL-UHFFFAOYSA-N 0 0 474.536 4.452 50 0 JIAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3cccs3)CC2)n1 ZINC000035912743 569727782 /nfs/dbraw/zinc/72/77/82/569727782.db2.gz BPSYTGNKLZHSCS-UHFFFAOYSA-N 0 0 460.607 4.490 50 0 JIAARN CCOC(=O)[C@H](C)Oc1cccn2c(=O)c(-c3cc(C)n(-c4ccc(Cl)cc4)n3)c(C)nc12 ZINC000035924594 569728036 /nfs/dbraw/zinc/72/80/36/569728036.db2.gz INFOSHCALRSLSS-INIZCTEOSA-N 0 0 466.925 4.148 50 0 JIAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000035925436 569728737 /nfs/dbraw/zinc/72/87/37/569728737.db2.gz VVTFNIAHCORIRT-UHFFFAOYSA-N 0 0 460.969 4.384 50 0 JIAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000035925538 569728848 /nfs/dbraw/zinc/72/88/48/569728848.db2.gz ZOFHPYQQJVVACH-UHFFFAOYSA-N 0 0 454.578 4.049 50 0 JIAARN CC(C)(C)CC(=O)N1CCCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035926025 569729365 /nfs/dbraw/zinc/72/93/65/569729365.db2.gz YHVKTYGIBIGXSW-UHFFFAOYSA-N 0 0 476.625 4.184 50 0 JIAARN COCCNC(=O)c1ccccc1CSc1nnc(-c2ccncc2)n1-c1cccc(C)c1 ZINC000095925440 569730147 /nfs/dbraw/zinc/73/01/47/569730147.db2.gz PSECYCVQQHIRSM-UHFFFAOYSA-N 0 0 459.575 4.306 50 0 JIAARN CCOc1ccc(C(=O)N[C@@H](C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)C(C)C)cc1 ZINC000095953066 569731477 /nfs/dbraw/zinc/73/14/77/569731477.db2.gz CNKAKAKDGYUBOO-RUZDIDTESA-N 0 0 462.594 4.301 50 0 JIAARN Nc1c2c(nn1-c1cccc(F)c1)nc(N1CCN(c3ccccn3)CC1)nc2-c1ccc(F)cc1 ZINC000035930144 569731562 /nfs/dbraw/zinc/73/15/62/569731562.db2.gz LZZDLLWJPVHBGW-UHFFFAOYSA-N 0 0 484.514 4.065 50 0 JIAARN COc1ccc(C(=O)N(Cc2cc(NC(=O)c3ccco3)ccc2N(C)C)C[C@@H]2CCCO2)cc1 ZINC000035944718 569732191 /nfs/dbraw/zinc/73/21/91/569732191.db2.gz KIUYMAGOBXLIIF-QHCPKHFHSA-N 0 0 477.561 4.428 50 0 JIAARN CC[C@H](C(=O)N(Cc1cc(NC(=O)COC)ccc1N(C)C)C[C@@H]1CCCO1)c1ccccc1 ZINC000035944991 569732465 /nfs/dbraw/zinc/73/24/65/569732465.db2.gz ZJHKSAVXCMREKA-ZEQRLZLVSA-N 0 0 467.610 4.039 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(OC)cc1)C(=O)C1CCC1 ZINC000035945801 569732959 /nfs/dbraw/zinc/73/29/59/569732959.db2.gz OVTLFRIRTNLNAF-XMMPIXPASA-N 0 0 483.996 4.301 50 0 JIAARN COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cc2c1OCCO2 ZINC000096114303 569733382 /nfs/dbraw/zinc/73/33/82/569733382.db2.gz ZSZMOKPCYVEPRN-BWKNWUBXSA-N 0 0 471.465 4.104 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)cc1)C(=O)c1ccccc1F ZINC000035946666 569733948 /nfs/dbraw/zinc/73/39/48/569733948.db2.gz FECVLPKEKRWIEV-QHCPKHFHSA-N 0 0 495.576 4.362 50 0 JIAARN COc1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc(OC)c1OC ZINC000096115047 569734019 /nfs/dbraw/zinc/73/40/19/569734019.db2.gz QTVVIOJUMPIOKO-SQJMNOBHSA-N 0 0 473.481 4.350 50 0 biogenic JIAARN COc1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cc(OC)c1OC ZINC000096115045 569734023 /nfs/dbraw/zinc/73/40/23/569734023.db2.gz QTVVIOJUMPIOKO-OFVILXPXSA-N 0 0 473.481 4.350 50 0 biogenic JIAARN COc1cccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(OC)c(O)c2)c1 ZINC000096115279 569734246 /nfs/dbraw/zinc/73/42/46/569734246.db2.gz OHJGDHLKBLPERU-XUZZJYLKSA-N 0 0 459.454 4.047 50 0 biogenic JIAARN Cn1c2ccccc2cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)c1=O ZINC000096115330 569734524 /nfs/dbraw/zinc/73/45/24/569734524.db2.gz ZNNNXMIMWRFXDT-QGZVFWFLSA-N 0 0 481.460 4.164 50 0 biogenic JIAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1OC ZINC000035947570 569734653 /nfs/dbraw/zinc/73/46/53/569734653.db2.gz VEEZXUWNCKZEHD-QFIPXVFZSA-N 0 0 487.000 4.094 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1Cl)C(=O)c1ccco1 ZINC000035948226 569735120 /nfs/dbraw/zinc/73/51/20/569735120.db2.gz YDZPXQOFOHKDMV-LJQANCHMSA-N 0 0 471.966 4.461 50 0 JIAARN COc1cccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000096116063 569735117 /nfs/dbraw/zinc/73/51/17/569735117.db2.gz UUSUSPDEXDRTRH-QPPBQGQZSA-N 0 0 457.438 4.062 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1Cl)C(=O)C1CCC1 ZINC000035948229 569735256 /nfs/dbraw/zinc/73/52/56/569735256.db2.gz NPZOFRLUMFTFSY-FQEVSTJZSA-N 0 0 459.999 4.354 50 0 JIAARN CN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2c(c1)OCO2)C(=O)c1ccccc1F ZINC000035948666 569735617 /nfs/dbraw/zinc/73/56/17/569735617.db2.gz HKESYNXLOGJRJI-QFIPXVFZSA-N 0 0 477.467 4.143 50 0 JIAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cc3cccc4c3n(c2=O)CCC4)S1 ZINC000096117029 569735636 /nfs/dbraw/zinc/73/56/36/569735636.db2.gz NSTARALUXYCZIA-DYESRHJHSA-N 0 0 464.591 4.454 50 0 JIAARN COc1ccc(OC)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)NC(C)(C)C)c1 ZINC000035949006 569735761 /nfs/dbraw/zinc/73/57/61/569735761.db2.gz UAZGEZNFGNNGOS-NRFANRHFSA-N 0 0 487.000 4.475 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccccc1)C(=O)NC(C)C ZINC000035949500 569736211 /nfs/dbraw/zinc/73/62/11/569736211.db2.gz IGSXANOHVZQSRV-DEOSSOPVSA-N 0 0 450.583 4.048 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccc(F)c3)[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000035960531 569736463 /nfs/dbraw/zinc/73/64/63/569736463.db2.gz CVNKVCOYHKVPRL-DEOSSOPVSA-N 0 0 493.510 4.432 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccc(F)c3)[C@@H](c3ccccc3F)C2)c(OC)c1 ZINC000035961015 569736746 /nfs/dbraw/zinc/73/67/46/569736746.db2.gz FXRDXMFSONZCJF-XMMPIXPASA-N 0 0 493.510 4.432 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1OC)C(=O)CC(C)(C)C ZINC000035961046 569736767 /nfs/dbraw/zinc/73/67/67/569736767.db2.gz XTVXBMIAQIVVCL-QHCPKHFHSA-N 0 0 483.584 4.423 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1)C(=O)NC(C)(C)C ZINC000035961751 569737249 /nfs/dbraw/zinc/73/72/49/569737249.db2.gz CTYKJPSYOFQRHF-IBGZPJMESA-N 0 0 460.575 4.021 50 0 JIAARN COc1ccc(OC)c([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)c1 ZINC000035962748 569737707 /nfs/dbraw/zinc/73/77/07/569737707.db2.gz LBOXMWDBKXMWJH-DEOSSOPVSA-N 0 0 493.510 4.432 50 0 JIAARN CC[C@H](C)N(Cc1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)C(=O)C1CC1 ZINC000096203930 569737894 /nfs/dbraw/zinc/73/78/94/569737894.db2.gz YUHLZHLOINKXEX-KRWDZBQOSA-N 0 0 459.612 4.099 50 0 JIAARN CC(C)(C)CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 ZINC000096204630 569737899 /nfs/dbraw/zinc/73/78/99/569737899.db2.gz NCLWBAXILNLFPD-HSZRJFAPSA-N 0 0 496.677 4.023 50 0 JIAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1Cl ZINC000035963194 569737931 /nfs/dbraw/zinc/73/79/31/569737931.db2.gz BEKJYMHQGYBREL-QHCPKHFHSA-N 0 0 487.000 4.094 50 0 JIAARN CCN1C2=C(C(=O)N([C@@H](C(=O)NCC(C)C)c3ccccc3)C2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000035964887 569738332 /nfs/dbraw/zinc/73/83/32/569738332.db2.gz XOWXIXHHODDMDR-XZOQPEGZSA-N 0 0 480.996 4.036 50 0 JIAARN O=C1C[C@H](c2cc3ccccc3[nH]c2=O)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096221504 569739138 /nfs/dbraw/zinc/73/91/38/569739138.db2.gz BLAONBDQHCWGCB-GOSISDBHSA-N 0 0 451.434 4.448 50 0 biogenic JIAARN O=C(CSc1nc2ccccc2o1)N([C@@H]1CC(=O)N(c2ccccc2)C1=O)C1CCCCC1 ZINC000096593761 569742160 /nfs/dbraw/zinc/74/21/60/569742160.db2.gz ZXGVAARVRAITQL-HXUWFJFHSA-N 0 0 463.559 4.413 50 0 JIAARN CCN(CC)c1ccc2cc(-c3nnc(-c4cc(OC)c(OC)c(OC)c4)o3)c(=O)oc2c1 ZINC000096601902 569742340 /nfs/dbraw/zinc/74/23/40/569742340.db2.gz DHVSAGSFXZTDCJ-UHFFFAOYSA-N 0 0 451.479 4.382 50 0 JIAARN CC1CCC2(CC1)OC[C@H](C(=O)NCc1cccnc1)N2C(=O)c1ccccc1C(F)(F)F ZINC000035981607 569742768 /nfs/dbraw/zinc/74/27/68/569742768.db2.gz GCYXNKDPXJKFIX-VRVFXRSRSA-N 0 0 461.484 4.164 50 0 JIAARN CC(=O)Cc1c(Br)c(OC(C)=O)c(OC(C)=O)c2ccc(Br)cc21 ZINC000096602723 569742757 /nfs/dbraw/zinc/74/27/57/569742757.db2.gz YPQFHIGSWWGZPM-UHFFFAOYSA-N 0 0 458.102 4.347 50 0 JIAARN COc1cc(-c2ncc(C(=O)NCc3ccco3)c(N(C)Cc3ccccc3)n2)cc(OC)c1OC ZINC000035987919 569743543 /nfs/dbraw/zinc/74/35/43/569743543.db2.gz HOKNVNXKHVOGFY-UHFFFAOYSA-N 0 0 488.544 4.329 50 0 JIAARN O=C(NCCNC(=O)c1ccccc1F)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000035989089 569743768 /nfs/dbraw/zinc/74/37/68/569743768.db2.gz ORTNCQQBHOKXCF-UHFFFAOYSA-N 0 0 476.455 4.405 50 0 JIAARN C[C@H](NC(=O)N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)c1cccs1 ZINC000097026917 569744141 /nfs/dbraw/zinc/74/41/41/569744141.db2.gz RWXQGROMODFGIK-ZDUSSCGKSA-N 0 0 474.936 4.447 50 0 JIAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)C(C)C)cc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000035992021 569744767 /nfs/dbraw/zinc/74/47/67/569744767.db2.gz SGVSPNGQQKFKGS-DEOSSOPVSA-N 0 0 490.648 4.360 50 0 JIAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccco4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000035992538 569745048 /nfs/dbraw/zinc/74/50/48/569745048.db2.gz QAZSWXQVFMKUIU-UHFFFAOYSA-N 0 0 486.572 4.039 50 0 JIAARN Cc1nn(-c2ccccc2Cl)c2nc(C)nc(N3CCCN(C(=O)c4ccccc4)CC3)c12 ZINC000036000414 569745542 /nfs/dbraw/zinc/74/55/42/569745542.db2.gz XCLNRKFEDPRTPI-UHFFFAOYSA-N 0 0 460.969 4.438 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)C2CC2)ccc1N1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000036001224 569745855 /nfs/dbraw/zinc/74/58/55/569745855.db2.gz XZRLCKROSLGKLW-UHFFFAOYSA-N 0 0 481.572 4.010 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036001187 569745901 /nfs/dbraw/zinc/74/59/01/569745901.db2.gz HECYTYGMFPUZBF-UHFFFAOYSA-N 0 0 497.615 4.190 50 0 JIAARN COc1ccc(C(=O)N2CCCN(c3nc(C4CC4)nc4c3cnn4-c3ccc(C)cc3)CC2)cc1 ZINC000036002033 569746037 /nfs/dbraw/zinc/74/60/37/569746037.db2.gz KTVKZOBZCXUMRX-UHFFFAOYSA-N 0 0 482.588 4.362 50 0 JIAARN Cc1ccc(-n2ncc3c2nc(C2CC2)nc3N2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000036002037 569746090 /nfs/dbraw/zinc/74/60/90/569746090.db2.gz RQLKVUFLHATLAG-UHFFFAOYSA-N 0 0 470.552 4.493 50 0 JIAARN Cc1nn(-c2cccc(C)c2)c2nc(C)nc(N3CCN(C(=O)c4ccccc4Cl)CC3)c12 ZINC000036002849 569746282 /nfs/dbraw/zinc/74/62/82/569746282.db2.gz BIRDFQIMRJXSRV-UHFFFAOYSA-N 0 0 460.969 4.357 50 0 JIAARN Cc1cccc(-n2c(=O)c3ccc(Cl)cc3n([C@@H](C)C(=O)NCc3ccc(F)cc3)c2=O)c1 ZINC000036008723 569748015 /nfs/dbraw/zinc/74/80/15/569748015.db2.gz UESJYFFYXSTZPX-INIZCTEOSA-N 0 0 465.912 4.131 50 0 JIAARN COc1cccc(C(=O)N(Cc2cc(-c3cc(OC)c(OC)c(OC)c3)on2)C[C@@H]2CCCO2)c1 ZINC000036012608 569748275 /nfs/dbraw/zinc/74/82/75/569748275.db2.gz HJFAFCGJYYAEFU-NRFANRHFSA-N 0 0 482.533 4.197 50 0 JIAARN O=C(c1ccccc1)N1CCC2(CC1)N[C@H](Cc1ccccc1)C(=O)N2Cc1ccc(F)cc1 ZINC000036014076 569748853 /nfs/dbraw/zinc/74/88/53/569748853.db2.gz PXDJPDITNGUTNK-RUZDIDTESA-N 0 0 457.549 4.001 50 0 JIAARN CCn1c(C)c(C(=O)[C@H](C)N(Cc2ccco2)C(=O)c2cccc(OC)c2)c(C)c1C(=O)OC ZINC000036025229 569750608 /nfs/dbraw/zinc/75/06/08/569750608.db2.gz MLGIPHJTPDPACD-SFHVURJKSA-N 0 0 466.534 4.427 50 0 JIAARN O=C(Cc1ccc(Br)cc1)N1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000098211773 569750863 /nfs/dbraw/zinc/75/08/63/569750863.db2.gz SKSCVDORXSYVBE-UHFFFAOYSA-N 0 0 459.775 4.384 50 0 JIAARN CC[C@@H](C)[C@H]1NC2(CCN(C(=S)NC(C)C)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000036027958 569751109 /nfs/dbraw/zinc/75/11/09/569751109.db2.gz BYKOEOQZZGCOQN-VQIMIIECSA-N 0 0 470.605 4.127 50 0 JIAARN CC[C@H](C)[C@@H]1NC2(CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(CC2CC2)C1=O ZINC000036029768 569751336 /nfs/dbraw/zinc/75/13/36/569751336.db2.gz GFECJGZIWVSQEB-KXBFYZLASA-N 0 0 452.521 4.286 50 0 JIAARN CC(C)(C)CC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C1CC1 ZINC000036030733 569751770 /nfs/dbraw/zinc/75/17/70/569751770.db2.gz DBBAJJBTROHYOX-OAQYLSRUSA-N 0 0 491.629 4.102 50 0 JIAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(Cc3ccco3)C(=O)C3CC3)n2CC(C)C)c1 ZINC000036039621 569752593 /nfs/dbraw/zinc/75/25/93/569752593.db2.gz OQHIOAHPWYZYQL-UHFFFAOYSA-N 0 0 469.607 4.353 50 0 JIAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C[C@@H]3CCCO3)C(=O)CC(C)C)n2CC(C)C)c1 ZINC000036039658 569752615 /nfs/dbraw/zinc/75/26/15/569752615.db2.gz SEWRHCGTRANUTJ-DEOSSOPVSA-N 0 0 489.682 4.375 50 0 JIAARN O=C(c1ccco1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C1CC1 ZINC000036040203 569753024 /nfs/dbraw/zinc/75/30/24/569753024.db2.gz AOKHLJCTNHFLLA-UHFFFAOYSA-N 0 0 475.570 4.303 50 0 JIAARN CCNC(=O)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1CC(C)C ZINC000036040476 569753125 /nfs/dbraw/zinc/75/31/25/569753125.db2.gz UZUFHRDGDXVLSM-UHFFFAOYSA-N 0 0 472.611 4.146 50 0 JIAARN CC(C)NC(=O)N(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C)C[C@H]1CCCO1 ZINC000036042873 569754160 /nfs/dbraw/zinc/75/41/60/569754160.db2.gz STXBDUNCTJUSFW-OAQYLSRUSA-N 0 0 497.061 4.190 50 0 JIAARN CC(C)NC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2Cl)n1C(C)C)CC1CC1 ZINC000036042878 569754188 /nfs/dbraw/zinc/75/41/88/569754188.db2.gz BXKALVYDOBALRL-UHFFFAOYSA-N 0 0 467.035 4.421 50 0 JIAARN CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C(C)C)C(=O)NC(C)C ZINC000036042835 569754276 /nfs/dbraw/zinc/75/42/76/569754276.db2.gz QGVKOPDHXUZQLE-UHFFFAOYSA-N 0 0 452.596 4.153 50 0 JIAARN COc1ccc(N2C(=O)C[C@@H](N(Cc3ccc(F)cc3)C(=O)Nc3ccc(F)cc3)C2=O)cc1 ZINC000100166942 569754532 /nfs/dbraw/zinc/75/45/32/569754532.db2.gz SVTDQPVRLLUYSP-JOCHJYFZSA-N 0 0 465.456 4.340 50 0 JIAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)cc1)C(=O)c1cccc(OC)c1 ZINC000036044919 569755339 /nfs/dbraw/zinc/75/53/39/569755339.db2.gz JYRCRFNRDBPCHN-UHFFFAOYSA-N 0 0 498.583 4.584 50 0 JIAARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cc3c(cc2Br)OCCO3)C1=O ZINC000036234790 569757544 /nfs/dbraw/zinc/75/75/44/569757544.db2.gz MSSSMWTWFHMGOX-HXUWFJFHSA-N 0 0 465.731 4.231 50 0 JIAARN COc1cc(CN(c2cccc(C)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1 ZINC000036247389 569757751 /nfs/dbraw/zinc/75/77/51/569757751.db2.gz JTIJIPIHSOOFEZ-UHFFFAOYSA-N 0 0 454.548 4.366 50 0 JIAARN C[C@@H]1CCCCN1C(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036250262 569758131 /nfs/dbraw/zinc/75/81/31/569758131.db2.gz QLDRMUYVKHWLRN-GCJKJVERSA-N 0 0 476.459 4.167 50 0 JIAARN CC1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3cccc(Br)c3)CC2)CC1 ZINC000036250448 569758366 /nfs/dbraw/zinc/75/83/66/569758366.db2.gz WNFYFLOWLLZVFY-JOCHJYFZSA-N 0 0 476.459 4.024 50 0 JIAARN CC(C)(C)c1ccc(C(=O)N2CCN([C@@H](C(=O)NCc3ccco3)C3CCCC3)CC2)cc1 ZINC000036251628 569758481 /nfs/dbraw/zinc/75/84/81/569758481.db2.gz SFBJRYOSSZYFAE-XMMPIXPASA-N 0 0 451.611 4.210 50 0 JIAARN O=C(NCc1ccc(F)cc1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036253182 569758649 /nfs/dbraw/zinc/75/86/49/569758649.db2.gz SUOCOVFPXWFAPI-HSZRJFAPSA-N 0 0 491.529 4.478 50 0 JIAARN COc1ccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC ZINC000036311860 569759697 /nfs/dbraw/zinc/75/96/97/569759697.db2.gz ATOZAHCPRRRLGR-XMMPIXPASA-N 0 0 486.012 4.313 50 0 JIAARN CN1CCN(c2onc(-c3ccc(F)cc3)c2CN(C[C@H]2CCCO2)C(=O)c2ccccc2F)CC1 ZINC000036312248 569760147 /nfs/dbraw/zinc/76/01/47/569760147.db2.gz LZLHZKNQMBWYDM-OAQYLSRUSA-N 0 0 496.558 4.193 50 0 JIAARN COc1ccccc1C(=O)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036313320 569760891 /nfs/dbraw/zinc/76/08/91/569760891.db2.gz PQJQKQCQZCTULP-IBGZPJMESA-N 0 0 495.551 4.147 50 0 JIAARN CN1c2ccc(Br)cc2[C@H](Cc2nc3ccccc3c(=O)n2-c2ccccc2)C1=O ZINC000100509530 569763231 /nfs/dbraw/zinc/76/32/31/569763231.db2.gz ZFJXQZQEKYBABM-IBGZPJMESA-N 0 0 460.331 4.451 50 0 JIAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2Cl)C1 ZINC000036340957 569764116 /nfs/dbraw/zinc/76/41/16/569764116.db2.gz IPXGZJKTVJVGMS-MBSDFSHPSA-N 0 0 471.960 4.432 50 0 JIAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccccc2Cl)CC1 ZINC000036341051 569764140 /nfs/dbraw/zinc/76/41/40/569764140.db2.gz QJMSXEFOPHXPGU-XMMPIXPASA-N 0 0 483.996 4.301 50 0 JIAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2OC)CC1 ZINC000036341376 569764494 /nfs/dbraw/zinc/76/44/94/569764494.db2.gz JRFAXZWMIBCPCI-RUZDIDTESA-N 0 0 477.605 4.265 50 0 JIAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F ZINC000036342349 569765689 /nfs/dbraw/zinc/76/56/89/569765689.db2.gz 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O=C(CCc1ccccc1)NC1CCN(c2ccccc2C(=O)NCCc2ccccc2)CC1 ZINC000037524032 569793017 /nfs/dbraw/zinc/79/30/17/569793017.db2.gz LITWJIOSDJNBDA-UHFFFAOYSA-N 0 0 455.602 4.377 50 0 JIAARN O=C(NC1CCN(c2ccccc2C(=O)NC[C@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000037524239 569793036 /nfs/dbraw/zinc/79/30/36/569793036.db2.gz PWHYGRGXZIYYDO-HXUWFJFHSA-N 0 0 475.511 4.013 50 0 JIAARN O=C(c1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1)c1cccc(Cl)c1 ZINC000101330164 569793430 /nfs/dbraw/zinc/79/34/30/569793430.db2.gz FSJAGJCLRKOCDZ-XMMPIXPASA-N 0 0 491.950 4.164 50 0 JIAARN O=C(COc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)C1CC1)CC2)NCc1ccccc1 ZINC000037602039 569797436 /nfs/dbraw/zinc/79/74/36/569797436.db2.gz ZFHULRJZYGDICC-MHZLTWQESA-N 0 0 458.533 4.405 50 0 JIAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)C1CC1)CC2)C(=O)N1CCSCC1 ZINC000037604488 569798456 /nfs/dbraw/zinc/79/84/56/569798456.db2.gz FEEGALXLCLOJGQ-RPBOFIJWSA-N 0 0 482.621 4.443 50 0 JIAARN CN1c2ccccc2[C@@H](Cc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)C1=O ZINC000101470379 569798895 /nfs/dbraw/zinc/79/88/95/569798895.db2.gz XTAJDTKUQWZRND-LJQANCHMSA-N 0 0 460.331 4.451 50 0 JIAARN COc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1OC ZINC000037611769 569799288 /nfs/dbraw/zinc/79/92/88/569799288.db2.gz ZMEQDGGNXXGEDP-NRFANRHFSA-N 0 0 490.000 4.388 50 0 JIAARN Cc1ccc(F)cc1NC(=O)CSc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12 ZINC000038486872 569801552 /nfs/dbraw/zinc/80/15/52/569801552.db2.gz PSNOTZWEYIUCHG-UHFFFAOYSA-N 0 0 450.474 4.361 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)c1 ZINC000038486864 569801570 /nfs/dbraw/zinc/80/15/70/569801570.db2.gz MIPAJAQGNYHZQA-UHFFFAOYSA-N 0 0 490.520 4.091 50 0 JIAARN Cc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000038487433 569801975 /nfs/dbraw/zinc/80/19/75/569801975.db2.gz YCPWKFMIJKLMKX-UHFFFAOYSA-N 0 0 490.050 4.151 50 0 JIAARN COc1cc(OC)c(NC(=O)CN2CCC(Cn3c(C)nc4ccccc43)CC2)cc1Cl ZINC000038535716 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O=C(Nc1ccccc1F)[C@H]1Sc2nnc(COc3ccccc3)n2N[C@H]1c1ccccc1 ZINC000009295223 194670681 /nfs/dbraw/zinc/67/06/81/194670681.db2.gz FHTBAEPPSGEQNW-VXKWHMMOSA-N 0 0 461.522 4.394 50 0 JIAARN COc1ccccc1NC(=O)[C@@H]1Sc2nnc(COc3ccccc3)n2N[C@@H]1c1ccc(F)cc1 ZINC000009295319 194670824 /nfs/dbraw/zinc/67/08/24/194670824.db2.gz MCPDZIJKYHKBKT-DHIUTWEWSA-N 0 0 491.548 4.403 50 0 JIAARN Cc1nn(CC(=O)Nc2ccccc2Oc2ccccc2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 ZINC000009315353 194686949 /nfs/dbraw/zinc/68/69/49/194686949.db2.gz JKVAFIWQCFIIRA-UHFFFAOYSA-N 0 0 494.573 4.345 50 0 JIAARN O=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1F ZINC000009316860 194688138 /nfs/dbraw/zinc/68/81/38/194688138.db2.gz VZCKZSPIKQWMAC-UHFFFAOYSA-N 0 0 465.912 4.194 50 0 JIAARN Cc1c2cc(F)ccc2oc1C(=O)N(Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000009346089 194704512 /nfs/dbraw/zinc/70/45/12/194704512.db2.gz ISZPWYGJABDHAS-KRWDZBQOSA-N 0 0 480.355 4.472 50 0 JIAARN O=C(CSc1nnc(CNC(=O)c2cccs2)n1-c1ccccc1)N1CCCc2ccccc21 ZINC000009404935 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C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)cc2)C1 ZINC000012645787 195074276 /nfs/dbraw/zinc/07/42/76/195074276.db2.gz TZABOVPGLAWAFI-XHSDSOJGSA-N 0 0 473.620 4.038 50 0 JIAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc2ccccc2n1-c1ccc(C)cc1 ZINC000012648115 195074652 /nfs/dbraw/zinc/07/46/52/195074652.db2.gz GZEJWFKXGMSUSP-JOCHJYFZSA-N 0 0 459.571 4.327 50 0 JIAARN CCOc1cc(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc(OCC)c1OCC ZINC000012648539 195074721 /nfs/dbraw/zinc/07/47/21/195074721.db2.gz MPGGYIIHAVVBQB-UHFFFAOYSA-N 0 0 453.438 4.280 50 0 JIAARN Cc1ccc(-c2cn(-c3ccccc3)c(SCC(=O)N(C3CC3)[C@H]3CCS(=O)(=O)C3)n2)cc1C ZINC000012627724 195060347 /nfs/dbraw/zinc/06/03/47/195060347.db2.gz KZWBLFPTXQQBKQ-QHCPKHFHSA-N 0 0 495.670 4.426 50 0 JIAARN Cn1ccnc1[C@@H](NC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O)c1ccccc1 ZINC000012628858 195061156 /nfs/dbraw/zinc/06/11/56/195061156.db2.gz BQUFNQUUYWEUMA-QFIPXVFZSA-N 0 0 498.008 4.074 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CSc1nc2cc(C)ccc2[nH]1 ZINC000012629595 195061846 /nfs/dbraw/zinc/06/18/46/195061846.db2.gz FDRWDHRTRCTUSL-UHFFFAOYSA-N 0 0 488.635 4.175 50 0 JIAARN COc1ccccc1[C@H](CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1)N(C)C ZINC000012631112 195063120 /nfs/dbraw/zinc/06/31/20/195063120.db2.gz TZWVDNBWHBQPMN-QHCPKHFHSA-N 0 0 481.618 4.146 50 0 JIAARN C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)N(c1ccc(C(=O)NC3CCCCC3)cc1)C2=O ZINC000012662736 195081602 /nfs/dbraw/zinc/08/16/02/195081602.db2.gz JLUYMCKNRPDSGV-MHZLTWQESA-N 0 0 456.546 4.471 50 0 biogenic JIAARN COc1ccc([C@@H]2CCCCCN2C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000012676135 195082286 /nfs/dbraw/zinc/08/22/86/195082286.db2.gz KVCIFGSFTRUWMQ-NRFANRHFSA-N 0 0 462.637 4.301 50 0 JIAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 ZINC000012676117 195082405 /nfs/dbraw/zinc/08/24/05/195082405.db2.gz PCNVWYRGESOCQX-UHFFFAOYSA-N 0 0 455.580 4.019 50 0 JIAARN Cc1ccc(N2C(=O)C[C@H](C(=O)OCC(=O)N3CCc4ccccc43)[C@@H]2c2cccs2)cc1 ZINC000012681501 195084323 /nfs/dbraw/zinc/08/43/23/195084323.db2.gz XAFQOZXBYMUTIQ-NBGIEHNGSA-N 0 0 460.555 4.283 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)CC2)cc1 ZINC000012691164 195088504 /nfs/dbraw/zinc/08/85/04/195088504.db2.gz RQIUVPCPXLGYNU-FQEVSTJZSA-N 0 0 483.659 4.412 50 0 JIAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000012691467 195088777 /nfs/dbraw/zinc/08/87/77/195088777.db2.gz HFSXLWLOPPDCLA-UHFFFAOYSA-N 0 0 473.440 4.330 50 0 JIAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cccc(OCc2c(C)noc2C)c1 ZINC000012695006 195089958 /nfs/dbraw/zinc/08/99/58/195089958.db2.gz BENVYBGFHFNXBS-UHFFFAOYSA-N 0 0 466.925 4.423 50 0 JIAARN CSCC[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1)c1nc2ccccc2[nH]1 ZINC000012696086 195090071 /nfs/dbraw/zinc/09/00/71/195090071.db2.gz WPEAPMYKCBHQMF-YADHBBJMSA-N 0 0 486.663 4.025 50 0 JIAARN CSCC[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1)c1nc2ccccc2[nH]1 ZINC000012696091 195090081 /nfs/dbraw/zinc/09/00/81/195090081.db2.gz WPEAPMYKCBHQMF-FGZHOGPDSA-N 0 0 486.663 4.025 50 0 JIAARN O=C(CSCc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 ZINC000012739432 195100472 /nfs/dbraw/zinc/10/04/72/195100472.db2.gz ZGEGJYYLBAZFKG-UHFFFAOYSA-N 0 0 498.626 4.372 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2nc(N(C)C2CCCCC2)c1=O ZINC000012727749 195097921 /nfs/dbraw/zinc/09/79/21/195097921.db2.gz WAEOFNPSNHAGPR-UHFFFAOYSA-N 0 0 454.958 4.466 50 0 JIAARN COc1cc(C)c(CN2CCN(C(=O)CSc3nc4ccccc4s3)CC2)cc1OC ZINC000012732195 195098967 /nfs/dbraw/zinc/09/89/67/195098967.db2.gz QOHAVKNNCNPNTM-UHFFFAOYSA-N 0 0 457.621 4.058 50 0 JIAARN COc1cc(/C=C/C(=O)Nc2ccc(-n3cncn3)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000012739125 195100205 /nfs/dbraw/zinc/10/02/05/195100205.db2.gz GIZMUMGTMMUPHF-MKMNVTDBSA-N 0 0 490.541 4.004 50 0 JIAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000012746367 195102854 /nfs/dbraw/zinc/10/28/54/195102854.db2.gz WDFSRHMANBEYAH-UHFFFAOYSA-N 0 0 453.848 4.196 50 0 JIAARN CCOc1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc(OCC)c1OCC ZINC000012748765 195104130 /nfs/dbraw/zinc/10/41/30/195104130.db2.gz COCHNTHIOHLMFC-UHFFFAOYSA-N 0 0 483.561 4.389 50 0 JIAARN CC(=O)c1cc2c(cc1NC(=O)Cn1cnc3sc(-c4ccccc4)c(C)c3c1=O)OCO2 ZINC000012750365 195105463 /nfs/dbraw/zinc/10/54/63/195105463.db2.gz IIGADTIKMCVKFM-UHFFFAOYSA-N 0 0 461.499 4.003 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000012750820 195105695 /nfs/dbraw/zinc/10/56/95/195105695.db2.gz MLFKOWOTRQYHOQ-UHFFFAOYSA-N 0 0 451.748 4.471 50 0 JIAARN COc1cc(NC(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)cc(OC)c1OC ZINC000012753861 195107560 /nfs/dbraw/zinc/10/75/60/195107560.db2.gz TWDCBBLYTJUNPL-UHFFFAOYSA-N 0 0 471.560 4.159 50 0 JIAARN CCNC(=O)[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl ZINC000012752138 195106399 /nfs/dbraw/zinc/10/63/99/195106399.db2.gz RZJBCSFXINEUKR-INIZCTEOSA-N 0 0 461.953 4.054 50 0 JIAARN CCOc1cc(/C=C/C(=O)N2CCN([C@@H](C(=O)OC)c3ccccc3Cl)CC2)cc(Cl)c1O ZINC000012752209 195106590 /nfs/dbraw/zinc/10/65/90/195106590.db2.gz IFSFSZIRKJTCJK-HYGBKTPJSA-N 0 0 493.387 4.169 50 0 JIAARN Cc1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000012754308 195107756 /nfs/dbraw/zinc/10/77/56/195107756.db2.gz HMFBLISVBIEIKH-UHFFFAOYSA-N 0 0 489.446 4.195 50 0 JIAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000012756282 195108677 /nfs/dbraw/zinc/10/86/77/195108677.db2.gz VTOSNUNFKPDSJW-UHFFFAOYSA-N 0 0 499.898 4.386 50 0 JIAARN CCOc1ccc(OCC)c(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)c1 ZINC000012758066 195109398 /nfs/dbraw/zinc/10/93/98/195109398.db2.gz MYRJCPCYUGPMSE-UHFFFAOYSA-N 0 0 454.976 4.420 50 0 JIAARN COc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)cc1Cl ZINC000012761880 195111060 /nfs/dbraw/zinc/11/10/60/195111060.db2.gz DRZQATNSPMAOAT-UHFFFAOYSA-N 0 0 462.980 4.409 50 0 JIAARN COc1cc(OC)c(OC)cc1CNC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000012767568 195114985 /nfs/dbraw/zinc/11/49/85/195114985.db2.gz ZEJHLRORPAWJNS-UHFFFAOYSA-N 0 0 493.589 4.196 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)c1 ZINC000012771131 195117785 /nfs/dbraw/zinc/11/77/85/195117785.db2.gz QXYNLDADBVOAQP-JOCHJYFZSA-N 0 0 497.020 4.191 50 0 JIAARN COc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000012772541 195118786 /nfs/dbraw/zinc/11/87/86/195118786.db2.gz FWDZWXCENTXUAF-UHFFFAOYSA-N 0 0 493.025 4.210 50 0 JIAARN O=C(Nc1cccc(I)c1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012773261 195119282 /nfs/dbraw/zinc/11/92/82/195119282.db2.gz AMLCGQDQAUTOIY-UHFFFAOYSA-N 0 0 473.314 4.370 50 0 JIAARN Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012775066 195120132 /nfs/dbraw/zinc/12/01/32/195120132.db2.gz IXDHZUICXJDYRK-UHFFFAOYSA-N 0 0 482.364 4.136 50 0 JIAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCCO2 ZINC000012776674 195121392 /nfs/dbraw/zinc/12/13/92/195121392.db2.gz LCIAVYSYQMZAJC-HNNXBMFYSA-N 0 0 472.950 4.403 50 0 JIAARN CCc1cccc(C)c1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000012777875 195122329 /nfs/dbraw/zinc/12/23/29/195122329.db2.gz GKRUCZKOAFNMAD-SFHVURJKSA-N 0 0 452.580 4.100 50 0 JIAARN COc1ccc(N(CCC(N)=O)C(=O)CSc2nnc(-c3ccccc3)c3ccccc32)cc1 ZINC000012778688 195122755 /nfs/dbraw/zinc/12/27/55/195122755.db2.gz AOUGFJGEMUVXMI-UHFFFAOYSA-N 0 0 472.570 4.306 50 0 JIAARN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)OCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000012780309 195123912 /nfs/dbraw/zinc/12/39/12/195123912.db2.gz WLXMGLMMTQKJFL-CVDCTZTESA-N 0 0 497.548 4.156 50 0 JIAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000012782757 195125588 /nfs/dbraw/zinc/12/55/88/195125588.db2.gz IZWAEEYVCFBMKM-CQSZACIVSA-N 0 0 463.365 4.018 50 0 JIAARN O=C(Nc1ccccc1)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000012783658 195126014 /nfs/dbraw/zinc/12/60/14/195126014.db2.gz BQKODBGKNACURL-UHFFFAOYSA-N 0 0 461.893 4.334 50 0 JIAARN C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012785995 195128012 /nfs/dbraw/zinc/12/80/12/195128012.db2.gz VLHQJYUFGLVVKX-ODXCJYRJSA-N 0 0 450.438 4.205 50 0 JIAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000012786165 195128355 /nfs/dbraw/zinc/12/83/55/195128355.db2.gz YQLCBRYWGAWAIM-UHFFFAOYSA-N 0 0 488.587 4.103 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000012787642 195129231 /nfs/dbraw/zinc/12/92/31/195129231.db2.gz XSWVMTHJSPTCKF-UHFFFAOYSA-N 0 0 454.514 4.258 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000012787768 195129390 /nfs/dbraw/zinc/12/93/90/195129390.db2.gz DFCVOBPGEAQBCG-AZGAKELHSA-N 0 0 498.583 4.035 50 0 JIAARN O=C(Nc1ccc(F)cc1Cl)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000012789506 195130582 /nfs/dbraw/zinc/13/05/82/195130582.db2.gz FYSWBZDSZAVJGZ-QGZVFWFLSA-N 0 0 475.767 4.424 50 0 JIAARN COc1cccc(-n2ccnc2SCC(=O)N(C)Cc2cc(Br)ccc2OC)c1 ZINC000012791507 195132527 /nfs/dbraw/zinc/13/25/27/195132527.db2.gz XVWWIRSBSXDOHW-UHFFFAOYSA-N 0 0 476.396 4.403 50 0 JIAARN COCCn1c(S[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000012795516 195135434 /nfs/dbraw/zinc/13/54/34/195135434.db2.gz LXHBXRHSWPDIQH-QAPCUYQASA-N 0 0 473.664 4.339 50 0 JIAARN COc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccc(C)s2)cc1NC(C)=O ZINC000012799585 195138599 /nfs/dbraw/zinc/13/85/99/195138599.db2.gz PSGVTDGUHNQBHQ-UHFFFAOYSA-N 0 0 458.605 4.457 50 0 JIAARN CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000012800693 195139015 /nfs/dbraw/zinc/13/90/15/195139015.db2.gz DIVNQHYTBKASQY-VGSWGCGISA-N 0 0 490.691 4.117 50 0 JIAARN CCN(Cc1cccc(F)c1)C(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000012802427 195140087 /nfs/dbraw/zinc/14/00/87/195140087.db2.gz IYNPQINECZYGPT-GOSISDBHSA-N 0 0 460.600 4.466 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000012804288 195140860 /nfs/dbraw/zinc/14/08/60/195140860.db2.gz LNROJKIMMYMKLM-HXUWFJFHSA-N 0 0 492.601 4.394 50 0 JIAARN CC(C)NS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](c2ccccc2)C(C)C)c1 ZINC000012807227 195142271 /nfs/dbraw/zinc/14/22/71/195142271.db2.gz JOMFYNLFRBTFFP-LJQANCHMSA-N 0 0 453.402 4.263 50 0 JIAARN Cc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1I ZINC000012808109 195142795 /nfs/dbraw/zinc/14/27/95/195142795.db2.gz FOHORTPSIYCRGJ-UHFFFAOYSA-N 0 0 493.370 4.348 50 0 JIAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H](c2ccc(CC(C)C)cc2)C(C)C)CC1 ZINC000012808373 195143077 /nfs/dbraw/zinc/14/30/77/195143077.db2.gz YHDKXBBFCDELEZ-QHCPKHFHSA-N 0 0 475.655 4.404 50 0 JIAARN CCOc1ccc(NC(=O)c2cc(Br)ccc2F)cc1S(=O)(=O)N(CC)CC ZINC000012808874 195143301 /nfs/dbraw/zinc/14/33/01/195143301.db2.gz AQUNPLAYGVSWIY-UHFFFAOYSA-N 0 0 473.364 4.270 50 0 JIAARN Cc1cccc(-n2nnnc2SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c1C ZINC000012811151 195144453 /nfs/dbraw/zinc/14/44/53/195144453.db2.gz VPQBNKKDXNDLTN-SFHVURJKSA-N 0 0 464.576 4.404 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1ccc(Br)cc1 ZINC000012815554 195146613 /nfs/dbraw/zinc/14/66/13/195146613.db2.gz NEXNJTWYDHMHEG-UHFFFAOYSA-N 0 0 469.401 4.060 50 0 JIAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000012817389 195147631 /nfs/dbraw/zinc/14/76/31/195147631.db2.gz LQCKYQQKOQTUKY-UHFFFAOYSA-N 0 0 455.558 4.358 50 0 JIAARN CCOC(=O)/C=C1\SCC(=O)N1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)OC ZINC000012818437 195148002 /nfs/dbraw/zinc/14/80/02/195148002.db2.gz HJPIWNYDLZSJHD-BKUYFWCQSA-N 0 0 462.527 4.168 50 0 JIAARN C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000012818496 195148143 /nfs/dbraw/zinc/14/81/43/195148143.db2.gz QBDULLSPCDIQCD-HPFXQQBRSA-N 0 0 464.031 4.214 50 0 JIAARN CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 ZINC000012820146 195148870 /nfs/dbraw/zinc/14/88/70/195148870.db2.gz DLUZQUSHPMVDIQ-VXKWHMMOSA-N 0 0 486.609 4.467 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000012825627 195151153 /nfs/dbraw/zinc/15/11/53/195151153.db2.gz FQLWGAAKDGKSAH-UHFFFAOYSA-N 0 0 464.559 4.195 50 0 JIAARN Cc1[nH]c(=O)sc1S(=O)(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000012853690 195156159 /nfs/dbraw/zinc/15/61/59/195156159.db2.gz LNWOUEZMNSJTQV-UHFFFAOYSA-N 0 0 489.022 4.131 50 0 JIAARN COc1cc(/C=C/C(=O)Nc2nnc(C(F)(F)F)s2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000012855703 195157277 /nfs/dbraw/zinc/15/72/77/195157277.db2.gz JZBNGEFVGKPSPB-UXBLZVDNSA-N 0 0 499.492 4.294 50 0 JIAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000012856062 195157637 /nfs/dbraw/zinc/15/76/37/195157637.db2.gz ZSUHJWSJMBYERV-UHFFFAOYSA-N 0 0 498.992 4.031 50 0 JIAARN Cc1cccc2sc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Br)s3)nc21 ZINC000012858244 195158454 /nfs/dbraw/zinc/15/84/54/195158454.db2.gz KPQAGYWBXQBWOP-LLVKDONJSA-N 0 0 486.438 4.221 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3cccs3)c3ccc(C)cc3)CC2)cc1 ZINC000012870480 195163069 /nfs/dbraw/zinc/16/30/69/195163069.db2.gz OKQIPICFHQKKES-XMMPIXPASA-N 0 0 484.643 4.372 50 0 JIAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCn1c(=O)oc2cc(Cl)ccc21 ZINC000012870557 195163205 /nfs/dbraw/zinc/16/32/05/195163205.db2.gz DTOKOHFGQJKUAH-UHFFFAOYSA-N 0 0 469.847 4.144 50 0 JIAARN COc1ccc(CN2CC(=O)N3C[C@@H](c4ccc(OC)cc4)c4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000012876046 195166170 /nfs/dbraw/zinc/16/61/70/195166170.db2.gz GTMNGDNOGWFOGG-NGQVCNFZSA-N 0 0 495.579 4.417 50 0 biogenic JIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2ccc(OC)c(Br)c2)cc1 ZINC000012876567 195166349 /nfs/dbraw/zinc/16/63/49/195166349.db2.gz GCHPCCHAGWAWBV-UHFFFAOYSA-N 0 0 469.401 4.060 50 0 JIAARN COc1ccc(CCNC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H]3c4ccccc4C(=O)N32)cc1 ZINC000012882276 195169203 /nfs/dbraw/zinc/16/92/03/195169203.db2.gz YXUMEURRJQTZLX-AHWVRZQESA-N 0 0 451.526 4.005 50 0 biogenic JIAARN CCOc1ccc(C(=O)c2ccccc2C(=O)OCCn2c3ccccc3oc2=O)cc1OCC ZINC000012887071 195170948 /nfs/dbraw/zinc/17/09/48/195170948.db2.gz PBQQWPMOQDJHDL-UHFFFAOYSA-N 0 0 475.497 4.480 50 0 JIAARN CNC(=O)CN(C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1C(=O)NC ZINC000012890920 195172812 /nfs/dbraw/zinc/17/28/12/195172812.db2.gz JKBGFHNKQCRIQM-UHFFFAOYSA-N 0 0 482.005 4.385 50 0 JIAARN Nc1nc(N)nc(CSC2=N/C(=C\c3ccc(Cl)c(Cl)c3)C(=O)N2c2ccccc2F)n1 ZINC000012895170 195174957 /nfs/dbraw/zinc/17/49/57/195174957.db2.gz VAGJMEWABNWNBY-ZSOIEALJSA-N 0 0 490.351 4.159 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)C(=O)NC1CC1 ZINC000012894910 195175001 /nfs/dbraw/zinc/17/50/01/195175001.db2.gz YFCLQDZVHFOVQY-HCOMASKESA-N 0 0 465.594 4.054 50 0 biogenic JIAARN COc1ccccc1OCCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCC(C)C ZINC000012862418 195159847 /nfs/dbraw/zinc/15/98/47/195159847.db2.gz GZIZTRAXCHFWLE-UHFFFAOYSA-N 0 0 490.025 4.392 50 0 JIAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012901278 195177574 /nfs/dbraw/zinc/17/75/74/195177574.db2.gz UJQPXMRSYSHYGX-UHFFFAOYSA-N 0 0 472.870 4.206 50 0 JIAARN COCCn1c(=O)c2cc(Br)ccc2nc1SCCC(=O)N[C@H](C)c1ccccc1 ZINC000012902106 195177830 /nfs/dbraw/zinc/17/78/30/195177830.db2.gz JWJKOUIQJAVTIX-OAHLLOKOSA-N 0 0 490.423 4.165 50 0 JIAARN O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1cc(F)cc2c1O[C@@H](c1ccsc1)OC2 ZINC000012904021 195178595 /nfs/dbraw/zinc/17/85/95/195178595.db2.gz XAZFRNIPBOKLNT-URXFXBBRSA-N 0 0 466.490 4.225 50 0 JIAARN O=C(COc1ccc(Br)cc1Br)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012906161 195179738 /nfs/dbraw/zinc/17/97/38/195179738.db2.gz BQXPTSKTVNRWHP-CQSZACIVSA-N 0 0 496.199 4.468 50 0 JIAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000012906429 195179795 /nfs/dbraw/zinc/17/97/95/195179795.db2.gz ACGNUGADIMQQRK-UHFFFAOYSA-N 0 0 457.548 4.351 50 0 JIAARN O=C(c1cc(C2CC2)nn1-c1ccccc1)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000012907166 195180321 /nfs/dbraw/zinc/18/03/21/195180321.db2.gz FURRAZBAEWNLDZ-VWLOTQADSA-N 0 0 456.546 4.170 50 0 JIAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(Br)c1 ZINC000012907221 195180344 /nfs/dbraw/zinc/18/03/44/195180344.db2.gz WMIOFYDROXYFHV-UHFFFAOYSA-N 0 0 477.424 4.286 50 0 JIAARN C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 ZINC000020608131 195181802 /nfs/dbraw/zinc/18/18/02/195181802.db2.gz ZEJIWNWXEYLTSV-CQSZACIVSA-N 0 0 483.454 4.150 50 0 JIAARN CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(OC)cc2)=N[C@H]1c1ccc(OC)cc1 ZINC000020609291 195182420 /nfs/dbraw/zinc/18/24/20/195182420.db2.gz QSFSMOFLHRHRCG-QFIPXVFZSA-N 0 0 454.548 4.157 50 0 JIAARN CCn1ncc(Br)c1CN(C)C(=O)Cn1nc(C)c2c1nc(C1CC1)cc2C(F)(F)F ZINC000020614183 195186348 /nfs/dbraw/zinc/18/63/48/195186348.db2.gz IJEJFXLRLSUXFK-UHFFFAOYSA-N 0 0 499.335 4.273 50 0 JIAARN O=C(c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1)N1CCN(Cc2ccccn2)CC1 ZINC000020615937 195187870 /nfs/dbraw/zinc/18/78/70/195187870.db2.gz WJLAPIYNWPPNMO-UHFFFAOYSA-N 0 0 471.508 4.459 50 0 JIAARN Cn1nc(C(=O)Nc2ccc(-c3ccno3)cc2)cc1C(=O)Nc1ccc(-c2ccno2)cc1 ZINC000020616825 195188648 /nfs/dbraw/zinc/18/86/48/195188648.db2.gz UTKXTQMTWYCNAF-UHFFFAOYSA-N 0 0 454.446 4.235 50 0 JIAARN O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[NH+]1CCN(CCc2ccccn2)CC1 ZINC000020677210 195202344 /nfs/dbraw/zinc/20/23/44/195202344.db2.gz DAQBNOVCGOZLKI-HHHXNRCGSA-N 0 0 470.573 4.128 50 0 JIAARN COCCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000020735863 195212640 /nfs/dbraw/zinc/21/26/40/195212640.db2.gz CQGYSERJJYGEBJ-MGBGTMOVSA-N 0 0 482.989 4.433 50 0 JIAARN COc1cc(CN(C(=S)NCC(=O)N[C@H]2CCCC[C@H]2C)C2CCCC2)cc(OC)c1OC ZINC000020679796 195203861 /nfs/dbraw/zinc/20/38/61/195203861.db2.gz PYQNBHORNAPDAW-XLIONFOSSA-N 0 0 477.671 4.026 50 0 JIAARN O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000020735912 195212701 /nfs/dbraw/zinc/21/27/01/195212701.db2.gz XOMMEEQIOINHIF-SANMLTNESA-N 0 0 456.546 4.085 50 0 JIAARN COc1ccc([C@H]2CSCCN2C(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)cc1 ZINC000020731883 195210905 /nfs/dbraw/zinc/21/09/05/195210905.db2.gz RXVAMQJNLSMYJZ-JOCHJYFZSA-N 0 0 453.560 4.368 50 0 JIAARN Cc1ccc(C(=O)N/C(=C\c2ccccc2Cl)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000020663066 195196726 /nfs/dbraw/zinc/19/67/26/195196726.db2.gz GDEUJYPUKPIZAQ-PABSLVNESA-N 0 0 487.987 4.227 50 0 biogenic JIAARN O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)C[S@]2=O ZINC000020736711 195213350 /nfs/dbraw/zinc/21/33/50/195213350.db2.gz IDYORGGGSSTOAW-HKBQPEDESA-N 0 0 456.926 4.064 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c1 ZINC000020852994 195231583 /nfs/dbraw/zinc/23/15/83/195231583.db2.gz LYVIVLPRHSPWBX-UHFFFAOYSA-N 0 0 469.946 4.201 50 0 JIAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCCSc1ccc(C)cc1 ZINC000020895430 195239331 /nfs/dbraw/zinc/23/93/31/195239331.db2.gz RJGXMEDSGGMBCK-NRFANRHFSA-N 0 0 459.593 4.176 50 0 JIAARN Cc1ccc(-c2c3c(c4n2-c2ccccc2N[C@H]4c2ccc4c(c2)OCO4)n(C)c(=O)n(C)c3=O)cc1 ZINC000020898545 195240631 /nfs/dbraw/zinc/24/06/31/195240631.db2.gz WVYVNAVJSXTHRX-DEOSSOPVSA-N 0 0 492.535 4.247 50 0 JIAARN COc1ccc(-c2noc(-c3cccc(NC(=O)[C@@H]4CC(=O)N(CCc5ccccc5)C4)c3)n2)cc1 ZINC000020900059 195241144 /nfs/dbraw/zinc/24/11/44/195241144.db2.gz RHDZJJGCTKGIRP-JOCHJYFZSA-N 0 0 482.540 4.442 50 0 JIAARN CC(=O)N1CCOc2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21 ZINC000020902262 195241671 /nfs/dbraw/zinc/24/16/71/195241671.db2.gz QYAYMEWTZBEMSP-UHFFFAOYSA-N 0 0 468.375 4.270 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(CCCOC(C)C)C3=O ZINC000020902941 195242343 /nfs/dbraw/zinc/24/23/43/195242343.db2.gz YOIVRYUQFRPTJB-AREMUKBSSA-N 0 0 455.599 4.128 50 0 JIAARN O=C(Cn1c2c3ccccc3sc2c(=O)n(Cc2ccc(F)cc2)c1=O)Nc1ccccc1 ZINC000020859814 195233041 /nfs/dbraw/zinc/23/30/41/195233041.db2.gz JYWRHAYPGJAQBE-UHFFFAOYSA-N 0 0 459.502 4.204 50 0 JIAARN Clc1ccc(OCc2nc3c4cnn(-c5ccccc5Br)c4ncn3n2)cc1 ZINC000020867736 195234702 /nfs/dbraw/zinc/23/47/02/195234702.db2.gz DCHUJPZNQXSIBX-UHFFFAOYSA-N 0 0 455.703 4.458 50 0 JIAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 ZINC000020921529 195247932 /nfs/dbraw/zinc/24/79/32/195247932.db2.gz XWGHNFDJSICVNL-UHFFFAOYSA-N 0 0 494.645 4.040 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Cn2c3cc(OC)ccc3cc(CNc3ccccc3)c2=O)cc1 ZINC000020940226 195254877 /nfs/dbraw/zinc/25/48/77/195254877.db2.gz JMDGKZSTUBGUBI-UHFFFAOYSA-N 0 0 485.540 4.438 50 0 JIAARN COc1cc(OC)c(NC(=O)Cn2cnc3c(c(C)c(C)n3-c3ccccc3)c2=O)cc1Cl ZINC000020946869 195257066 /nfs/dbraw/zinc/25/70/66/195257066.db2.gz JMTITLFXNDKONH-UHFFFAOYSA-N 0 0 466.925 4.113 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3C[C@H](CC)Oc4ccc(C)cc43)c2)on1 ZINC000020985223 195260287 /nfs/dbraw/zinc/26/02/87/195260287.db2.gz RDQNYKAODKQUFL-KRWDZBQOSA-N 0 0 486.546 4.202 50 0 JIAARN O=C(CSc1nc(-c2cccc(F)c2)nc2cc(=O)[nH]n21)Nc1cccc(C(F)(F)F)c1 ZINC000020986987 195260883 /nfs/dbraw/zinc/26/08/83/195260883.db2.gz PIKDDDHPEFOURI-UHFFFAOYSA-N 0 0 463.416 4.386 50 0 JIAARN COc1ccc(-c2csc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)n2)cc1OC ZINC000020988952 195261391 /nfs/dbraw/zinc/26/13/91/195261391.db2.gz FJPHLZMKRFARET-IBGZPJMESA-N 0 0 487.603 4.009 50 0 JIAARN CC(=O)c1cc2c(cc1NC(=O)CCN1c3ccccc3Sc3ncccc3C1=O)OCO2 ZINC000020993381 195262782 /nfs/dbraw/zinc/26/27/82/195262782.db2.gz CRJWZVMERKOLDZ-UHFFFAOYSA-N 0 0 461.499 4.153 50 0 JIAARN O=C(Nc1cccc(Cl)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21 ZINC000020994967 195263689 /nfs/dbraw/zinc/26/36/89/195263689.db2.gz OIFNXRBZKAIEPO-OAQYLSRUSA-N 0 0 465.962 4.417 50 0 JIAARN Cc1ccc2c(CC(=O)NCCN3Cc4ccccc4O[C@@H](c4ccsc4)C3)cc(=O)oc2c1 ZINC000020997610 195264784 /nfs/dbraw/zinc/26/47/84/195264784.db2.gz QDBLRZUWHYXRDQ-RUZDIDTESA-N 0 0 474.582 4.458 50 0 JIAARN CCOC(=O)C1CCC(CNC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)CC1 ZINC000021037553 195270070 /nfs/dbraw/zinc/27/00/70/195270070.db2.gz SPEDWJUEFHANMO-FQUBMZHMSA-N 0 0 462.550 4.495 50 0 JIAARN CCn1c2c(nc(CCC(=O)Nc3ccc(OC)c(Cl)c3)c1=O)c(C)nn2-c1ccccc1 ZINC000021040770 195270975 /nfs/dbraw/zinc/27/09/75/195270975.db2.gz DSQUEWQMRALPKV-UHFFFAOYSA-N 0 0 465.941 4.144 50 0 JIAARN CCCCOc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccc(F)cc2)C3=O)cc1 ZINC000021049624 195272207 /nfs/dbraw/zinc/27/22/07/195272207.db2.gz FLJYIJRWIBSIME-UHFFFAOYSA-N 0 0 464.541 4.177 50 0 JIAARN COc1cc(OC)c(OC)cc1C=CC(=O)OCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000021098963 195276002 /nfs/dbraw/zinc/27/60/02/195276002.db2.gz CMWLUTWEIASVFX-FMIVXFBMSA-N 0 0 455.507 4.136 50 0 JIAARN COc1cc(NC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)cc(OC)c1 ZINC000021099976 195276347 /nfs/dbraw/zinc/27/63/47/195276347.db2.gz LEUBDDQCTZVKTQ-UHFFFAOYSA-N 0 0 460.490 4.243 50 0 JIAARN C[C@@H](OC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000021119716 195279364 /nfs/dbraw/zinc/27/93/64/195279364.db2.gz BMRKPVPPCIAUIJ-BDJLRTHQSA-N 0 0 457.836 4.029 50 0 JIAARN C[C@H](OC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000021119723 195279670 /nfs/dbraw/zinc/27/96/70/195279670.db2.gz BMRKPVPPCIAUIJ-ZBEGNZNMSA-N 0 0 457.836 4.029 50 0 JIAARN COc1cc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc(OC)c1OC ZINC000021148643 195282191 /nfs/dbraw/zinc/28/21/91/195282191.db2.gz IXQJBPJTDIEBKL-RUZDIDTESA-N 0 0 495.576 4.477 50 0 JIAARN COc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(SC)c3)c3nc(C)ccc3c2=O)cc1 ZINC000021151450 195282980 /nfs/dbraw/zinc/28/29/80/195282980.db2.gz VBHHJCZPZSXFSQ-UHFFFAOYSA-N 0 0 473.554 4.305 50 0 JIAARN O=C(CSc1ncnc2c1sc1cccc(F)c12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021153385 195283829 /nfs/dbraw/zinc/28/38/29/195283829.db2.gz VVZLRLRQFWTFCM-UHFFFAOYSA-N 0 0 496.589 4.149 50 0 JIAARN O=C(/C=C/c1ccc2c(c1)OCO2)OCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000021185707 195291139 /nfs/dbraw/zinc/29/11/39/195291139.db2.gz QGSKRRRCTWDWLZ-XBXARRHUSA-N 0 0 479.510 4.038 50 0 JIAARN 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CCOc1ccccc1-c1noc(CN(Cc2ccc3c(c2)CCO3)C2CCN(C(C)=O)CC2)n1 ZINC000058162749 195369445 /nfs/dbraw/zinc/36/94/45/195369445.db2.gz IWQVGOZNSVIENZ-UHFFFAOYSA-N 0 0 476.577 4.083 50 0 JIAARN COC(=O)c1occc1CN(C(=O)Cc1csc(-c2ccccn2)n1)[C@H](C)c1ccccn1 ZINC000058174371 195371533 /nfs/dbraw/zinc/37/15/33/195371533.db2.gz LDBRAOUQXKADEP-MRXNPFEDSA-N 0 0 462.531 4.312 50 0 JIAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000058178508 195372043 /nfs/dbraw/zinc/37/20/43/195372043.db2.gz WGPBLUKKACTZDT-UHFFFAOYSA-N 0 0 450.502 4.440 50 0 JIAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000058216455 195373722 /nfs/dbraw/zinc/37/37/22/195373722.db2.gz ZNJHWLYAJQILDR-CQSZACIVSA-N 0 0 453.959 4.034 50 0 JIAARN CC(C)[C@@H](NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1nc(-c2ccncc2)no1 ZINC000058244395 195374782 /nfs/dbraw/zinc/37/47/82/195374782.db2.gz RPBRKIFUICIZDZ-OAHLLOKOSA-N 0 0 458.874 4.062 50 0 JIAARN O=C(NCc1ccc2c(c1)CC(=O)N2)c1cccnc1Oc1ccc(F)cc1Br ZINC000058246534 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/nfs/dbraw/zinc/78/98/05/519789805.db2.gz KEFMKFLPGWKQFL-NGSVVIOZSA-N 0 0 493.559 4.329 50 0 JIAARN CC(C)c1ccc(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)Cc2ccc(F)cc2)cc1 ZINC000036072368 519835838 /nfs/dbraw/zinc/83/58/38/519835838.db2.gz SCSYLKWOOPQZJR-UHFFFAOYSA-N 0 0 494.611 4.202 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1 ZINC000046124743 519838417 /nfs/dbraw/zinc/83/84/17/519838417.db2.gz AVCRHXUIYYEKJI-GOSISDBHSA-N 0 0 470.620 4.482 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3F)nc2N)cc1 ZINC000008590433 519838873 /nfs/dbraw/zinc/83/88/73/519838873.db2.gz ZWYOCOAJYVOAIB-UHFFFAOYSA-N 0 0 478.546 4.024 50 0 JIAARN CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@H](C)Sc4ccccc43)C2=O)cc1 ZINC000022495800 519840400 /nfs/dbraw/zinc/84/04/00/519840400.db2.gz JYGHVPIFTXOOOY-GKVSMKOHSA-N 0 0 451.592 4.495 50 0 JIAARN CCCN1CCN(S(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)n(C)c2C)CC1 ZINC000065008756 519859027 /nfs/dbraw/zinc/85/90/27/519859027.db2.gz SKVLPKFSPOJQKL-UHFFFAOYSA-N 0 0 479.071 4.494 50 0 JIAARN CCCNC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3ccccc3Cl)c2=O)CC1 ZINC000012414385 519866891 /nfs/dbraw/zinc/86/68/91/519866891.db2.gz KMOWGSCUBRSDLU-UHFFFAOYSA-N 0 0 474.026 4.259 50 0 JIAARN CCCNC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3ccc(Cl)cc3)c2=O)CC1 ZINC000012414386 519866918 /nfs/dbraw/zinc/86/69/18/519866918.db2.gz JVKNAYMGGDTPAO-UHFFFAOYSA-N 0 0 474.026 4.259 50 0 JIAARN CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccccc1Br)CCN(Cc1ccccc1)C2 ZINC000033277356 519868787 /nfs/dbraw/zinc/86/87/87/519868787.db2.gz RUELYWRRQZYIRF-UHFFFAOYSA-N 0 0 495.421 4.326 50 0 JIAARN CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N(C)Cc2cccc3ccccc32)c1=O ZINC000014988127 519900826 /nfs/dbraw/zinc/90/08/26/519900826.db2.gz KLDDOBAGGPNJQT-UHFFFAOYSA-N 0 0 467.569 4.266 50 0 JIAARN CCN(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000013930236 519920568 /nfs/dbraw/zinc/92/05/68/519920568.db2.gz BLBWKPNTRNTERD-LJQANCHMSA-N 0 0 456.589 4.136 50 0 JIAARN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308633 520094711 /nfs/dbraw/zinc/09/47/11/520094711.db2.gz FCFRNKZVMGFGJH-ZCYQVOJMSA-N 0 0 465.594 4.351 50 0 JIAARN CCCCCCOC(=O)[C@@H](CCCCN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O ZINC000004119347 520095935 /nfs/dbraw/zinc/09/59/35/520095935.db2.gz YGNNTLCZRINKLY-HSZRJFAPSA-N 0 0 490.556 4.241 50 0 JIAARN CCCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(OC)c3)c2=O)cc1 ZINC000045899686 520199164 /nfs/dbraw/zinc/19/91/64/520199164.db2.gz FPIKOWFSYKWAIJ-UHFFFAOYSA-N 0 0 485.584 4.058 50 0 JIAARN CCCOC(=O)c1c(NC(=S)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)sc2c1CC[C@H](C)C2 ZINC000002107021 520222272 /nfs/dbraw/zinc/22/22/72/520222272.db2.gz UCHBDBXLCBLYSX-YESZJQIVSA-N 0 0 485.675 4.418 50 0 biogenic JIAARN CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)Nc3ccc4c(c3)OCCO4)c2C1 ZINC000065000049 520277077 /nfs/dbraw/zinc/27/70/77/520277077.db2.gz NVUJPUAIHPWJDK-UHFFFAOYSA-N 0 0 462.477 4.155 50 0 JIAARN CCCOc1c(OC)cc(Cl)cc1[C@@H]1NC(=S)NC(C)=C1C(=O)NCc1ccccc1 ZINC000016382588 520297676 /nfs/dbraw/zinc/29/76/76/520297676.db2.gz KGVZADOFRNSFSH-FQEVSTJZSA-N 0 0 459.999 4.247 50 0 JIAARN CCCCN(C(=O)CSC(c1ccccc1)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000014719821 520344829 /nfs/dbraw/zinc/34/48/29/520344829.db2.gz CQQIMXIVSFMQMX-UHFFFAOYSA-N 0 0 494.661 4.431 50 0 JIAARN CCCOc1ccc(CN(C(=O)c2coc3c(C)cc(C)cc3c2=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027748906 520346053 /nfs/dbraw/zinc/34/60/53/520346053.db2.gz WSTBMJJUNKRPAS-FQEVSTJZSA-N 0 0 483.586 4.028 50 0 JIAARN CCCOc1ccc(CN(C(=O)Cc2cccc3ccccc32)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000028228306 520346429 /nfs/dbraw/zinc/34/64/29/520346429.db2.gz WGWJSQCVIUCCSG-HSZRJFAPSA-N 0 0 451.588 4.387 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)NCC(C)C)C(=O)C[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000016604148 520475143 /nfs/dbraw/zinc/47/51/43/520475143.db2.gz JNHFPDIBQQOWQD-QHCPKHFHSA-N 0 0 464.562 4.404 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(Cl)cccc3Cl)c(=O)n2[C@H]1c1ccccc1 ZINC000016682387 520480738 /nfs/dbraw/zinc/48/07/38/520480738.db2.gz LUITXWDVGVUMPW-YWFITGJYSA-N 0 0 473.381 4.105 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(Cl)cccc3Cl)c(=O)n2[C@@H]1c1cccs1 ZINC000043759552 520481658 /nfs/dbraw/zinc/48/16/58/520481658.db2.gz NQWPTMQTRXCKPQ-GANRHZMWSA-N 0 0 479.410 4.167 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000016667969 520488702 /nfs/dbraw/zinc/48/87/02/520488702.db2.gz LEPGWNGCYOPONF-IZWBEQICSA-N 0 0 464.974 4.117 50 0 JIAARN CCN(CC)C(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1Cc1cccc(OC)c1 ZINC000016840543 520495653 /nfs/dbraw/zinc/49/56/53/520495653.db2.gz BPZYHXGKASMKEU-UHFFFAOYSA-N 0 0 476.602 4.409 50 0 JIAARN CCOC(=O)C1=C(COC(=O)c2cc(-c3ccco3)nc3ccccc32)NC(=O)N[C@H]1c1ccco1 ZINC000018225175 520522266 /nfs/dbraw/zinc/52/22/66/520522266.db2.gz LITQUTJTXMGNSW-QHCPKHFHSA-N 0 0 487.468 4.116 50 0 JIAARN CCCSCCCNC(=O)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000035459291 520564224 /nfs/dbraw/zinc/56/42/24/520564224.db2.gz RRONBENNPPDYLS-HSZRJFAPSA-N 0 0 465.619 4.101 50 0 JIAARN CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccc(F)cc1)n2C ZINC000046017582 520612407 /nfs/dbraw/zinc/61/24/07/520612407.db2.gz FVOQGYABEQDHME-QGZVFWFLSA-N 0 0 469.538 4.093 50 0 JIAARN CCOC(=O)CCC(=O)N(CCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)[C@H](C)CC ZINC000033666188 520616926 /nfs/dbraw/zinc/61/69/26/520616926.db2.gz GBISAKNQCSUMIH-CQSZACIVSA-N 0 0 466.991 4.158 50 0 JIAARN CCOC(=O)CCC(=O)Nc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC)cc2)cc1 ZINC000012404007 520623578 /nfs/dbraw/zinc/62/35/78/520623578.db2.gz IQXRIWGGSAJUPW-UHFFFAOYSA-N 0 0 456.495 4.043 50 0 JIAARN CCCCNC(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccccc2)C[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC000034710688 520635391 /nfs/dbraw/zinc/63/53/91/520635391.db2.gz UOVJGOYSPMRUHM-WWPVKYPJSA-N 0 0 467.610 4.496 50 0 JIAARN CCOc1cc(Br)c(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC ZINC000033348431 520648998 /nfs/dbraw/zinc/64/89/98/520648998.db2.gz KPAKWUJJFHDLLE-MFOYZWKCSA-N 0 0 463.303 4.479 50 0 JIAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000008684690 520649711 /nfs/dbraw/zinc/64/97/11/520649711.db2.gz VUBXRJZIKYFDFR-BFYDXBDKSA-N 0 0 450.815 4.447 50 0 JIAARN CCOc1cc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@H]2CCCO2)ccc1OC ZINC000014985847 520693641 /nfs/dbraw/zinc/69/36/41/520693641.db2.gz CAKGPPCHDQIICA-OAQYLSRUSA-N 0 0 483.638 4.184 50 0 JIAARN CCOC(=O)CN(C(=O)CSc1nnc(-c2cccs2)n1CC)c1ccc(Cl)cc1 ZINC000002181015 520722659 /nfs/dbraw/zinc/72/26/59/520722659.db2.gz ZYHFBKIBSJYPOZ-UHFFFAOYSA-N 0 0 465.000 4.368 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(-c2nnc(-c3ccc(OC)c(OC)c3)o2)ccc1Cl ZINC000064987880 520781139 /nfs/dbraw/zinc/78/11/39/520781139.db2.gz TZYVIFFTSOZQQH-UHFFFAOYSA-N 0 0 451.932 4.105 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Sc2cc(C)nc(C(C)C)n2)ccc1C ZINC000016454144 520786256 /nfs/dbraw/zinc/78/62/56/520786256.db2.gz IAFURFGBRIYKLY-KRWDZBQOSA-N 0 0 464.657 4.367 50 0 JIAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)Nc3cccnc3)c3ccccc3C(=O)N1CC2 ZINC000008661628 520799762 /nfs/dbraw/zinc/79/97/62/520799762.db2.gz ASSCZXVYBYVRJA-LOSJGSFVSA-N 0 0 457.530 4.355 50 0 JIAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)Nc3cccnc3)c3ccccc3C(=O)N1CC2 ZINC000008661629 520799996 /nfs/dbraw/zinc/79/99/96/520799996.db2.gz ASSCZXVYBYVRJA-DQEYMECFSA-N 0 0 457.530 4.355 50 0 JIAARN CCOc1ccc(-c2cc3c(=O)[nH]nc(SCc4nc(-c5ccc(C)cc5)no4)n3n2)cc1 ZINC000045972025 520807978 /nfs/dbraw/zinc/80/79/78/520807978.db2.gz JHUAAYRUQBYNTC-UHFFFAOYSA-N 0 0 460.519 4.134 50 0 JIAARN CCOc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(Cc2ccccn2)C3=O)cc1 ZINC000021853338 520809380 /nfs/dbraw/zinc/80/93/80/520809380.db2.gz ABZDMSYYSNSIAV-MUUNZHRXSA-N 0 0 487.604 4.207 50 0 JIAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(F)cc3)sc2=N1 ZINC000006243319 520809755 /nfs/dbraw/zinc/80/97/55/520809755.db2.gz WMTDJYSXCDFVBE-GOOXQAOHSA-N 0 0 469.541 4.013 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(C)c(Cl)c1)n2C ZINC000012506080 520812492 /nfs/dbraw/zinc/81/24/92/520812492.db2.gz FRHCQACOFORDQL-UHFFFAOYSA-N 0 0 463.003 4.137 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(C(F)(F)F)n2CCC(=O)Nc1ccc(F)cc1 ZINC000035481810 520813188 /nfs/dbraw/zinc/81/31/88/520813188.db2.gz IYHCXLMRGDKGJL-UHFFFAOYSA-N 0 0 486.491 4.254 50 0 JIAARN CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CCCCC3 ZINC000002271934 520815405 /nfs/dbraw/zinc/81/54/05/520815405.db2.gz DUEOVBBOTRKTCI-UHFFFAOYSA-N 0 0 454.577 4.019 50 0 JIAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(C)c(C)c4)c3N)c(C)o2)cc1OC ZINC000065113661 520820660 /nfs/dbraw/zinc/82/06/60/520820660.db2.gz LWBFMRPELFYJOR-UHFFFAOYSA-N 0 0 476.537 4.148 50 0 JIAARN CCOc1ccc(-n2c(SCc3cc(=O)n4nc(CC)sc4n3)nnc2-c2ccncc2)cc1 ZINC000021605395 520834594 /nfs/dbraw/zinc/83/45/94/520834594.db2.gz GYQZJVZPCBDKRB-UHFFFAOYSA-N 0 0 491.602 4.047 50 0 JIAARN CCOc1ccc(-n2c(S[C@H](C)C(=O)NC)nnc2-c2ccc(Br)cc2)cc1 ZINC000019296660 520835327 /nfs/dbraw/zinc/83/53/27/520835327.db2.gz JOGGVSQOHNKYHN-CYBMUJFWSA-N 0 0 461.385 4.322 50 0 JIAARN CCOc1ccc(-n2c3nc(-c4ccccc4Cl)nc(C(N)=O)c3n(Cc3ccccc3)c2=O)cc1 ZINC000064965811 520837623 /nfs/dbraw/zinc/83/76/23/520837623.db2.gz KAYPUXIVCLTZCO-UHFFFAOYSA-N 0 0 499.958 4.449 50 0 JIAARN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@H]2C1 ZINC000017987001 520874547 /nfs/dbraw/zinc/87/45/47/520874547.db2.gz NOZWOADKZUXHNV-PMACEKPBSA-N 0 0 482.330 4.335 50 0 JIAARN CCOc1ccc(C(=O)Cn2c3ccccc3c3nc(-c4ccc(OC)cc4)nn3c2=O)cc1 ZINC000064977862 520889211 /nfs/dbraw/zinc/88/92/11/520889211.db2.gz JBTMBKKYULBLRX-UHFFFAOYSA-N 0 0 454.486 4.001 50 0 JIAARN CCCCOc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccccc4OC)no3)ccn2n1 ZINC000044166495 520908640 /nfs/dbraw/zinc/90/86/40/520908640.db2.gz UOOBIGDXMCQVMN-UHFFFAOYSA-N 0 0 471.517 4.449 50 0 JIAARN CCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)NCCc3ccc(OC)c(OC)c3)c21 ZINC000033291553 520936526 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DDBXALMPGFMNBF-GOSISDBHSA-N 0 0 451.548 4.204 50 0 JIAARN CC[C@H](C)C(=O)Nc1c2cc(NC3CCSCC3)cnc2n(C[C@H]2CCCO2)c1C(=O)OC ZINC000014748735 523837732 /nfs/dbraw/zinc/83/77/32/523837732.db2.gz JLTANLWRDFIRGY-MAUKXSAKSA-N 0 0 474.627 4.294 50 0 JIAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccccc1Cl)Cc1ccccc1 ZINC000016448492 523847895 /nfs/dbraw/zinc/84/78/95/523847895.db2.gz NAMTUHGHAWNURJ-UHFFFAOYSA-N 0 0 458.967 4.487 50 0 JIAARN CN(C(=O)Cn1cc(-c2nc(-c3cccc(Br)c3)no2)ccc1=O)C1CCCCC1 ZINC000067289090 523855133 /nfs/dbraw/zinc/85/51/33/523855133.db2.gz NVBMJEGTMUKSFX-UHFFFAOYSA-N 0 0 471.355 4.119 50 0 JIAARN CCc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000064951358 523866228 /nfs/dbraw/zinc/86/62/28/523866228.db2.gz GTIHTVQECRKXMJ-UHFFFAOYSA-N 0 0 451.324 4.151 50 0 JIAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2cc(Cl)c(OC)cc2OC)c3=O)cc1 ZINC000033277698 523866382 /nfs/dbraw/zinc/86/63/82/523866382.db2.gz ZXURZZSZQFNAKV-UHFFFAOYSA-N 0 0 482.924 4.313 50 0 JIAARN COc1ccc(C2(CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)CCCC2)cc1OC ZINC000008654563 523867423 /nfs/dbraw/zinc/86/74/23/523867423.db2.gz ASJLCZISJJTWGO-UHFFFAOYSA-N 0 0 450.457 4.289 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000036344722 523877036 /nfs/dbraw/zinc/87/70/36/523877036.db2.gz JGEXUBCEAREPTK-NDEPHWFRSA-N 0 0 486.591 4.330 50 0 JIAARN CC[C@H](C)CN1C(=O)[C@H]([C@@H](C)CC)NC12CCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC2 ZINC000036028171 523879351 /nfs/dbraw/zinc/87/93/51/523879351.db2.gz RXAIQWZCCFTHSN-ZWOKBUDYSA-N 0 0 489.604 4.079 50 0 JIAARN CC[C@H](C)CNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000036254479 523882340 /nfs/dbraw/zinc/88/23/40/523882340.db2.gz UMZKNEOJIWWNHG-LAUBAEHRSA-N 0 0 453.549 4.184 50 0 JIAARN CC[C@H](C)N(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1cccs1 ZINC000036071207 523925623 /nfs/dbraw/zinc/92/56/23/523925623.db2.gz JMQXNTCVHGZFJA-NRFANRHFSA-N 0 0 491.661 4.493 50 0 JIAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)NC(C)C ZINC000036122339 523926770 /nfs/dbraw/zinc/92/67/70/523926770.db2.gz YIVNYQDAJLSPEL-AVRDEDQJSA-N 0 0 473.639 4.480 50 0 JIAARN CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066377 523947548 /nfs/dbraw/zinc/94/75/48/523947548.db2.gz YKZUPFNXTUYVDX-LEDIPKOKSA-N 0 0 493.648 4.147 50 0 biogenic JIAARN CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1F)C1CCN(C(=O)c2cc3ncccn3n2)CC1 ZINC000014989158 523951439 /nfs/dbraw/zinc/95/14/39/523951439.db2.gz PVDHRRQIBLYZKV-QFIPXVFZSA-N 0 0 491.592 4.166 50 0 JIAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1OC ZINC000023142763 523966021 /nfs/dbraw/zinc/96/60/21/523966021.db2.gz XLFIDCPTSBZRAV-HXUWFJFHSA-N 0 0 480.996 4.390 50 0 JIAARN COc1ccc(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)CN(C(=O)c3ccccc3F)C2)cc1 ZINC000034709665 523967870 /nfs/dbraw/zinc/96/78/70/523967870.db2.gz XNVKLHVMGOCEFH-PKTZIBPZSA-N 0 0 460.549 4.439 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000008614000 523969878 /nfs/dbraw/zinc/96/98/78/523969878.db2.gz ZGOPGFQEYJOMCW-UHFFFAOYSA-N 0 0 470.978 4.073 50 0 biogenic JIAARN COc1ccc(CCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000002876879 523970286 /nfs/dbraw/zinc/97/02/86/523970286.db2.gz YTFKETWXHRXPHX-UHFFFAOYSA-N 0 0 458.967 4.146 50 0 JIAARN COc1ccc(CCNC(=O)c2sc(NC(=O)Nc3cccc(C)c3)nc2C)cc1OC ZINC000008770990 523972395 /nfs/dbraw/zinc/97/23/95/523972395.db2.gz UMAKEVQMEWRWFF-UHFFFAOYSA-N 0 0 454.552 4.394 50 0 JIAARN CCc1ccc(NC(=O)CSc2nc3c4cc(OC)ccc4n(C)c3c(=O)n2CC)cc1 ZINC000033287481 523973774 /nfs/dbraw/zinc/97/37/74/523973774.db2.gz FGGDEEOZQPCVQR-UHFFFAOYSA-N 0 0 450.564 4.210 50 0 JIAARN CCc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc5c(c4)OCO5)no3)c2=O)cc1 ZINC000064971961 523976562 /nfs/dbraw/zinc/97/65/62/523976562.db2.gz ACQNTFGKLKJONY-UHFFFAOYSA-N 0 0 472.501 4.112 50 0 JIAARN COc1ccc(CCNc2ncnc3sc(C(=O)NCc4ccco4)c(C)c32)cc1OC ZINC000014994152 523979398 /nfs/dbraw/zinc/97/93/98/523979398.db2.gz SQAYJRLLKYDFJP-UHFFFAOYSA-N 0 0 452.536 4.195 50 0 JIAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000036214636 523987473 /nfs/dbraw/zinc/98/74/73/523987473.db2.gz TYTYIOOXLOQVJX-MBSDFSHPSA-N 0 0 484.641 4.256 50 0 JIAARN CCc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3ccc(C)cc3O2)cc1 ZINC000064986393 523990930 /nfs/dbraw/zinc/99/09/30/523990930.db2.gz YKPQAFPZAVRFNG-XMMPIXPASA-N 0 0 466.559 4.161 50 0 JIAARN CCc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1 ZINC000038487412 523992992 /nfs/dbraw/zinc/99/29/92/523992992.db2.gz ABZIOQSCTDZNGW-UHFFFAOYSA-N 0 0 469.632 4.382 50 0 JIAARN CCc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016844739 523993287 /nfs/dbraw/zinc/99/32/87/523993287.db2.gz LJFMRDMYQZNTIE-UHFFFAOYSA-N 0 0 473.595 4.213 50 0 JIAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1F)C1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000036213784 523995660 /nfs/dbraw/zinc/99/56/60/523995660.db2.gz MXVGQTITDYMAJQ-FDDCHVKYSA-N 0 0 468.573 4.091 50 0 JIAARN CCc1ccc(S(=O)(=O)Nc2ccc(N3CCC[C@@H](C[NH+]4CCCC4)C3)c(C(=O)[O-])c2)cc1 ZINC000033253745 524016512 /nfs/dbraw/zinc/01/65/12/524016512.db2.gz BECWUHXCHMTAJK-FQEVSTJZSA-N 0 0 471.623 4.060 50 0 JIAARN CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000033254111 524016718 /nfs/dbraw/zinc/01/67/18/524016718.db2.gz VXOKRNCKLWEQIL-HXUWFJFHSA-N 0 0 471.623 4.060 50 0 JIAARN COc1ccc(CN2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000009846498 524019530 /nfs/dbraw/zinc/01/95/30/524019530.db2.gz UIQXKHSRIHIYJY-XMMPIXPASA-N 0 0 489.528 4.079 50 0 JIAARN COc1ccc(CN2C(=O)N(c3cccc(C)c3)C(=O)[C@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000020324329 524020354 /nfs/dbraw/zinc/02/03/54/524020354.db2.gz TVYLMKXDRPCNPX-XMMPIXPASA-N 0 0 473.529 4.378 50 0 JIAARN COc1ccc(CN2C(=O)c3cc4c(c(OC)ccc4OC)n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021857703 524021469 /nfs/dbraw/zinc/02/14/69/524021469.db2.gz GQEBFYGFWKVPNN-MUUNZHRXSA-N 0 0 491.588 4.141 50 0 JIAARN COc1ccc(CN2C(=S)N(Cc3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 ZINC000016382921 524022278 /nfs/dbraw/zinc/02/22/78/524022278.db2.gz UFKDEBUTLGDQPV-QHCPKHFHSA-N 0 0 477.561 4.361 50 0 JIAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=S)NC(=O)c1c(Cl)c(C)nn1C ZINC000002779881 524023609 /nfs/dbraw/zinc/02/36/09/524023609.db2.gz PXWOYKGUEJZEQZ-UHFFFAOYSA-N 0 0 462.984 4.332 50 0 JIAARN CN1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000035488882 524025870 /nfs/dbraw/zinc/02/58/70/524025870.db2.gz FVAGRWHAVTXJSX-XZLZDHACSA-N 0 0 460.917 4.444 50 0 JIAARN COc1ccc(CN2CCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)cc1F ZINC000014077565 524031102 /nfs/dbraw/zinc/03/11/02/524031102.db2.gz LYVDNAUTBVGBBI-UHFFFAOYSA-N 0 0 453.539 4.106 50 0 JIAARN COc1ccc(CN2CCN(c3cccc4c3C(=O)N(Cc3cccc(Cl)c3)C4=O)CC2)cc1 ZINC000012218739 524033961 /nfs/dbraw/zinc/03/39/61/524033961.db2.gz BPDHKHBZKCXXKA-UHFFFAOYSA-N 0 0 475.976 4.467 50 0 JIAARN COc1ccc(CNC(=O)/C(=C/c2cn(C)c3ccccc23)NC(=O)c2ccccc2F)cc1 ZINC000012324802 524044346 /nfs/dbraw/zinc/04/43/46/524044346.db2.gz KPMKYSASCMYNGT-IWIPYMOSSA-N 0 0 457.505 4.413 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3ccc(Sc4ccccc4)nn3)CC2)cc1OC ZINC000045921626 524046160 /nfs/dbraw/zinc/04/61/60/524046160.db2.gz BRSDRPASYWJLKV-UHFFFAOYSA-N 0 0 464.591 4.178 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3cc(Oc4cccc(C)c4C)ncn3)CC2)cc1OC ZINC000033312023 524046240 /nfs/dbraw/zinc/04/62/40/524046240.db2.gz HQKXMRUJONUZDY-UHFFFAOYSA-N 0 0 476.577 4.436 50 0 JIAARN CCc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000016741656 524056803 /nfs/dbraw/zinc/05/68/03/524056803.db2.gz RBIDRFGDEIRGIX-VWLOTQADSA-N 0 0 460.574 4.240 50 0 JIAARN COc1ccc(CNC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1OC ZINC000022508966 524061694 /nfs/dbraw/zinc/06/16/94/524061694.db2.gz TZQHGBQZAIVIIH-UHFFFAOYSA-N 0 0 455.555 4.433 50 0 JIAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccc(C)cc3)C2)c(OC)c1 ZINC000033168989 524062778 /nfs/dbraw/zinc/06/27/78/524062778.db2.gz GLIBQHLIQUHLLZ-HXUWFJFHSA-N 0 0 462.550 4.127 50 0 JIAARN CCc1cccc(C)c1NC(=O)CSc1cc(C)c2cc(S(=O)(=O)N(C)C)ccc2n1 ZINC000033087832 524063308 /nfs/dbraw/zinc/06/33/08/524063308.db2.gz DHWIQQXUJBLQKU-UHFFFAOYSA-N 0 0 457.621 4.395 50 0 JIAARN CCc1cccc(C)c1NC(=O)CSc1nc2c3cc(OC)ccc3n(C)c2c(=O)n1C ZINC000033287737 524063764 /nfs/dbraw/zinc/06/37/64/524063764.db2.gz BUJWVSWFTQMHLY-UHFFFAOYSA-N 0 0 450.564 4.035 50 0 JIAARN COc1ccc(CNC(=O)c2c(N)n(-c3ccc(C)cc3)c3nc4ccccc4nc32)cc1OC ZINC000002282637 524065276 /nfs/dbraw/zinc/06/52/76/524065276.db2.gz QGAAYGUMKZCDBW-UHFFFAOYSA-N 0 0 467.529 4.412 50 0 JIAARN COc1ccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)c(OC)c1 ZINC000033129984 524066865 /nfs/dbraw/zinc/06/68/65/524066865.db2.gz WROQCHCOIXEEDV-UHFFFAOYSA-N 0 0 480.586 4.085 50 0 biogenic JIAARN COc1ccc(CNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000008613989 524066872 /nfs/dbraw/zinc/06/68/72/524066872.db2.gz KVGXIQVITOSXFZ-UHFFFAOYSA-N 0 0 456.951 4.030 50 0 aggregator JIAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(CCN1CCOCC1)C3=O ZINC000020363420 524099203 /nfs/dbraw/zinc/09/92/03/524099203.db2.gz MGALDNNQRFQKAC-NRFANRHFSA-N 0 0 473.356 4.286 50 0 JIAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3cc(Cl)c4c(c3)OCCCO4)cc2)C1 ZINC000016708088 524104050 /nfs/dbraw/zinc/10/40/50/524104050.db2.gz FLVNUZFIBNUKBT-INIZCTEOSA-N 0 0 478.998 4.103 50 0 JIAARN Cc1cccc(-c2nc(SCc3noc(CCC(=O)Nc4c(F)cccc4F)n3)n[nH]2)c1 ZINC000033270900 524115344 /nfs/dbraw/zinc/11/53/44/524115344.db2.gz BOXFMRONLARETQ-UHFFFAOYSA-N 0 0 456.478 4.305 50 0 JIAARN Cc1cccc(-c2nc(C3CCN(C(=O)[C@@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)CC3)no2)c1 ZINC000033281833 524118266 /nfs/dbraw/zinc/11/82/66/524118266.db2.gz BBXQJVMVRNOEPK-JOCHJYFZSA-N 0 0 458.562 4.421 50 0 JIAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000036060252 524121240 /nfs/dbraw/zinc/12/12/40/524121240.db2.gz GZXAWWCVYKZALO-GOTSBHOMSA-N 0 0 492.959 4.250 50 0 JIAARN Cc1ccc(C)c(NC(=O)C2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)c1 ZINC000033258853 524131789 /nfs/dbraw/zinc/13/17/89/524131789.db2.gz RILVZXAHNUBRQF-UHFFFAOYSA-N 0 0 467.573 4.312 50 0 JIAARN COc1ccc(C[C@@]2(CCC(=O)NC[C@]3(c4ccccc4)CC3(C)C)CCC(=O)N2)c(F)c1 ZINC000014884141 524143730 /nfs/dbraw/zinc/14/37/30/524143730.db2.gz PECPQJATQLIDJV-SXOMAYOGSA-N 0 0 452.570 4.290 50 0 JIAARN COc1ccc(Cc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)no2)cc1OC ZINC000033276440 524163863 /nfs/dbraw/zinc/16/38/63/524163863.db2.gz UTQQHNTVKXTGOK-UHFFFAOYSA-N 0 0 465.531 4.454 50 0 JIAARN Cc1cccc(C(=O)N(CCN2CCOCC2)Cc2csc(COc3ccccc3C)n2)c1 ZINC000036114784 524164462 /nfs/dbraw/zinc/16/44/62/524164462.db2.gz FRCXQNZOXAQASW-UHFFFAOYSA-N 0 0 465.619 4.314 50 0 JIAARN COc1ccc(Cc2nc3ccc(C(=O)NCc4cc(OC)c(OC)c(OC)c4)cc3o2)cc1 ZINC000064968452 524166903 /nfs/dbraw/zinc/16/69/03/524166903.db2.gz VLKTUKDCOGHFAH-UHFFFAOYSA-N 0 0 462.502 4.383 50 0 JIAARN COc1ccc(Cc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)s2)cc1OC ZINC000009190913 524168081 /nfs/dbraw/zinc/16/80/81/524168081.db2.gz LJNUOBUBEUSELF-HNNXBMFYSA-N 0 0 486.981 4.100 50 0 JIAARN COc1cccc([C@H]2Nc3ccccc3-n3c(-c4ccccc4F)c4c(c32)n(C)c(=O)n(C)c4=O)c1 ZINC000021659242 524186532 /nfs/dbraw/zinc/18/65/32/524186532.db2.gz ZWWBJQZSQMIKLM-HSZRJFAPSA-N 0 0 482.515 4.358 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)c2)c1 ZINC000012508338 524193970 /nfs/dbraw/zinc/19/39/70/524193970.db2.gz XILWUFXNVIPLTD-UHFFFAOYSA-N 0 0 479.602 4.398 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000033254100 524195730 /nfs/dbraw/zinc/19/57/30/524195730.db2.gz DZFNBDZKHWHJTA-FQEVSTJZSA-N 0 0 471.623 4.115 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c4ccsc4c(NCCc4ccccc4)nc23)c1 ZINC000020516442 524197834 /nfs/dbraw/zinc/19/78/34/524197834.db2.gz NQCDANBJAVNUFD-UHFFFAOYSA-N 0 0 463.588 4.443 50 0 JIAARN 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525102045 /nfs/dbraw/zinc/10/20/45/525102045.db2.gz OPRHXIDGBWAARO-UHFFFAOYSA-N 0 0 488.935 4.260 50 0 JIAARN Cc1ccc(NC(=O)N2CCC([C@@H](NC(=O)c3ccccc3)C(=O)N3CCCC[C@@H]3C)CC2)cc1 ZINC000036213604 525119338 /nfs/dbraw/zinc/11/93/38/525119338.db2.gz LTTXYDPGMMOTCY-SQJMNOBHSA-N 0 0 476.621 4.439 50 0 JIAARN COc1ccc([C@@H](C)NC(=O)C2CCN(c3ncnc4nn(-c5ccc(C)cc5)cc43)CC2)cc1 ZINC000033273707 525130882 /nfs/dbraw/zinc/13/08/82/525130882.db2.gz ZKGBLRVQUAYGOQ-LJQANCHMSA-N 0 0 470.577 4.226 50 0 JIAARN COc1ccc([C@@H](C)NC(=O)c2cc(NCc3ccccc3C)cc(S(=O)(=O)N(C)C)c2)cc1 ZINC000014733402 525141536 /nfs/dbraw/zinc/14/15/36/525141536.db2.gz NVEHMFQFIDURQC-LJQANCHMSA-N 0 0 481.618 4.357 50 0 JIAARN C[C@@H]1COC[C@H](C)N1c1ncc(-c2nnnn2-c2ccccc2)c(-c2cccc(C(F)(F)F)c2)n1 ZINC000016609672 525148923 /nfs/dbraw/zinc/14/89/23/525148923.db2.gz XZRGLBCXRJAJDU-IYBDPMFKSA-N 0 0 481.482 4.419 50 0 JIAARN CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC000008606284 525149872 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Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)c(C)s2)no1 ZINC000014910841 525227531 /nfs/dbraw/zinc/22/75/31/525227531.db2.gz SOPPGYHKPZDVDQ-NSHDSACASA-N 0 0 452.508 4.392 50 0 JIAARN Cc1cc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)ccc1Br ZINC000033267457 525232724 /nfs/dbraw/zinc/23/27/24/525232724.db2.gz DWNNWCKZMYQTFO-HNNXBMFYSA-N 0 0 468.355 4.034 50 0 JIAARN C[C@]1(C(=O)c2ccccc2)[C@H]2c3cc(Br)ccc3OC(=O)[C@]21C(=O)N1CCCCC1 ZINC000012384145 525235105 /nfs/dbraw/zinc/23/51/05/525235105.db2.gz ZJWOQDNWWXZPPJ-CTUHWIOQSA-N 0 0 468.347 4.353 50 0 JIAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012437655 525235331 /nfs/dbraw/zinc/23/53/31/525235331.db2.gz AYMYQEKFXIMSLK-RWEWTDSWSA-N 0 0 467.934 4.441 50 0 JIAARN C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 ZINC000014792633 525239127 /nfs/dbraw/zinc/23/91/27/525239127.db2.gz QNPNFFVLRPRHEU-NZQKXSOJSA-N 0 0 455.558 4.207 50 0 JIAARN Cc1ccccc1NC(=O)CSc1ccc(N2CCN(c3cccc(Cl)c3)CC2)nn1 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/nfs/dbraw/zinc/30/40/32/525304032.db2.gz POXFNUSINMYSTN-SFHVURJKSA-N 0 0 462.550 4.380 50 0 JIAARN Cc1ccc(OCC(=O)N2N=C(c3ccc(Br)cc3)C[C@@]2(O)C(F)(F)F)cc1C ZINC000013659851 525385352 /nfs/dbraw/zinc/38/53/52/525385352.db2.gz JCXFOPSPPOVCLT-LJQANCHMSA-N 0 0 471.273 4.332 50 0 JIAARN COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000029481038 525408675 /nfs/dbraw/zinc/40/86/75/525408675.db2.gz JFTPTXCDLFSARZ-CSVHPWFYSA-N 0 0 466.559 4.144 50 0 JIAARN Cc1[nH]c(C(=O)N2CCC(CC(=O)NCc3cccc(C)c3)CC2)c(C)c1C(=O)OC(C)C ZINC000045974022 525411255 /nfs/dbraw/zinc/41/12/55/525411255.db2.gz LLWYDFMQGRKZPX-UHFFFAOYSA-N 0 0 453.583 4.064 50 0 JIAARN Cc1cc(SCC(=O)N2CCC[C@H](C(=O)Nc3nccs3)C2)c(C)cc1Br ZINC000040148982 525431848 /nfs/dbraw/zinc/43/18/48/525431848.db2.gz WMHXQCKXJXTOBC-AWEZNQCLSA-N 0 0 468.442 4.492 50 0 JIAARN COc1ccc([C@H]2[C@@H](C(=O)NC3CCCCC3)CCC(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000004759587 525432592 /nfs/dbraw/zinc/43/25/92/525432592.db2.gz 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COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(c4nc5cc(Cl)ccc5[nH]4)C3)c2c1 ZINC000033071521 525492539 /nfs/dbraw/zinc/49/25/39/525492539.db2.gz UDHMZOUAXUTTKA-MRXNPFEDSA-N 0 0 451.958 4.282 50 0 JIAARN COc1ccc2[nH]cc(CCNC(=O)CC3CCN(C(=O)c4ccccc4Cl)CC3)c2c1 ZINC000033254701 525493194 /nfs/dbraw/zinc/49/31/94/525493194.db2.gz QABARUJCAFGCDE-UHFFFAOYSA-N 0 0 453.970 4.431 50 0 biogenic JIAARN COc1ccc2c(C)nc(N3CCC[C@H](C(=O)N4CCC([C@H](O)c5ccccc5)CC4)C3)nc2c1 ZINC000039447333 525498901 /nfs/dbraw/zinc/49/89/01/525498901.db2.gz IKMMSTZPLYZALD-BKMJKUGQSA-N 0 0 474.605 4.135 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2cc(C)ccc2C)cc1 ZINC000016156377 525504016 /nfs/dbraw/zinc/50/40/16/525504016.db2.gz FHUDEKVTWZHNHJ-UHFFFAOYSA-N 0 0 495.620 4.295 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c2ccccc2)cc1 ZINC000016225201 525509537 /nfs/dbraw/zinc/50/95/37/525509537.db2.gz SJPNUUZMXUPVAS-UHFFFAOYSA-N 0 0 477.586 4.065 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(NC(=O)c4ccccc4)cc3)CC2)cc1 ZINC000016320077 525520603 /nfs/dbraw/zinc/52/06/03/525520603.db2.gz AIUMDCDMCBCIAG-UHFFFAOYSA-N 0 0 477.586 4.287 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)CC2)cc1 ZINC000033254558 525523676 /nfs/dbraw/zinc/52/36/76/525523676.db2.gz MXGPQPAGUJMFAG-UHFFFAOYSA-N 0 0 474.026 4.279 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1C ZINC000046124066 525532770 /nfs/dbraw/zinc/53/27/70/525532770.db2.gz QTQTTZVVZGLEME-GOSISDBHSA-N 0 0 470.620 4.284 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1C ZINC000064931066 525532833 /nfs/dbraw/zinc/53/28/33/525532833.db2.gz YRZKZTZVKCOENI-GOSISDBHSA-N 0 0 460.556 4.072 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@H]3c3nc4ccccc4s3)CC2)c(C)c1 ZINC000025056423 525539011 /nfs/dbraw/zinc/53/90/11/525539011.db2.gz XEDHYXOJJKIVIZ-RTWAWAEBSA-N 0 0 495.670 4.496 50 0 JIAARN 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ZINC000021834107 525609552 /nfs/dbraw/zinc/60/95/52/525609552.db2.gz XAWPGGLRNDMXOD-UHFFFAOYSA-N 0 0 460.559 4.347 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@H](C(=O)NCCC(C)C)C3)c2)c(C)c1 ZINC000021710048 525613125 /nfs/dbraw/zinc/61/31/25/525613125.db2.gz XVIQWMBJSWUVAM-QFIPXVFZSA-N 0 0 485.650 4.119 50 0 JIAARN Cc1c(C(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)sc2nc(-c3ccc(F)cc3)cn12 ZINC000042379538 525619999 /nfs/dbraw/zinc/61/99/99/525619999.db2.gz ZSYQXCVSYYWVCV-UHFFFAOYSA-N 0 0 491.523 4.303 50 0 JIAARN Cc1c(C(=O)NC[C@H]2CCCO2)sc2ncnc(NCC3(c4ccccc4)CCOCC3)c12 ZINC000014992466 525623825 /nfs/dbraw/zinc/62/38/25/525623825.db2.gz MIKGKUHPSJSMAH-LJQANCHMSA-N 0 0 466.607 4.069 50 0 JIAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc5c(c4)CC(=O)N5C)cc3)sc2c1 ZINC000033289334 525654651 /nfs/dbraw/zinc/65/46/51/525654651.db2.gz SRLIGZGXCWQNIM-UHFFFAOYSA-N 0 0 465.556 4.292 50 0 JIAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(OC)c(OC)c3)sc2c1 ZINC000033271591 525657571 /nfs/dbraw/zinc/65/75/71/525657571.db2.gz WFUGFZLYZZBPML-HNNXBMFYSA-N 0 0 450.520 4.290 50 0 JIAARN Cc1ccc(Sc2cc3c(cc2NS(=O)(=O)c2ccc(C)cc2)n(C)c(=O)n3C)cc1 ZINC000045941116 525669923 /nfs/dbraw/zinc/66/99/23/525669923.db2.gz XDUZEZRQJSMEQV-UHFFFAOYSA-N 0 0 453.589 4.446 50 0 JIAARN COc1ccc2nc(NC(=O)CN3C(=O)CSc4ccc(C(=O)N5CCCCC5)cc43)sc2c1 ZINC000045998010 525672049 /nfs/dbraw/zinc/67/20/49/525672049.db2.gz KNJBKJXMHLTDOX-UHFFFAOYSA-N 0 0 496.614 4.008 50 0 JIAARN Cc1cc2nn(CC(=O)N[C@@H](C)CCc3ccccc3)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000067226465 525689008 /nfs/dbraw/zinc/68/90/08/525689008.db2.gz XZXKMYIJOBXOMI-INIZCTEOSA-N 0 0 483.494 4.023 50 0 JIAARN Cc1cc2oc(=O)c(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C)c2c2occ(C(C)(C)C)c21 ZINC000013593271 525690287 /nfs/dbraw/zinc/69/02/87/525690287.db2.gz QZWXVRWXFNCWDP-UHFFFAOYSA-N 0 0 482.558 4.282 50 0 JIAARN Cc1cc2sc(N(Cc3ccccc3)C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)nc2c(C)c1 ZINC000013790939 525699563 /nfs/dbraw/zinc/69/95/63/525699563.db2.gz WSGZOKBIWOLSTB-IBGZPJMESA-N 0 0 457.621 4.118 50 0 JIAARN Cc1c(CN(C)C(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Cl)cnn1C ZINC000002808263 525702637 /nfs/dbraw/zinc/70/26/37/525702637.db2.gz SPEYMPXAZSPOIA-UHFFFAOYSA-N 0 0 468.892 4.444 50 0 JIAARN C[C@@H]1[C@H](c2ccccc2)OCCN1C(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000004774100 525715018 /nfs/dbraw/zinc/71/50/18/525715018.db2.gz SBSLEILIJQINBR-XMSQKQJNSA-N 0 0 459.637 4.020 50 0 JIAARN COc1cccc(-c2nc(COC(=O)CCN3c4ccccc4O[C@H](C)C3=O)cs2)c1OC ZINC000016193727 525724650 /nfs/dbraw/zinc/72/46/50/525724650.db2.gz BFTWGDUTRZSSEO-OAHLLOKOSA-N 0 0 468.531 4.075 50 0 JIAARN COc1cccc(-c2nn(C)cc2-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)c1 ZINC000065099157 525731682 /nfs/dbraw/zinc/73/16/82/525731682.db2.gz TVPGYALLHDXEBI-UHFFFAOYSA-N 0 0 462.579 4.239 50 0 JIAARN Cc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccc(OC(C)C)cc4)ccn3n2)cc1C ZINC000067260938 525737314 /nfs/dbraw/zinc/73/73/14/525737314.db2.gz STHOXVFVKITQFB-UHFFFAOYSA-N 0 0 458.562 4.274 50 0 JIAARN COc1cccc(-c2noc(CSc3nc4cc5c(cc4c(=O)n3Cc3ccco3)OCO5)n2)c1 ZINC000033130610 525738286 /nfs/dbraw/zinc/73/82/86/525738286.db2.gz PFUYCXMTNUMFAR-UHFFFAOYSA-N 0 0 490.497 4.117 50 0 JIAARN Cc1c(Cl)cccc1-n1ncc(C(=O)N2CCOCC2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000008597499 525751292 /nfs/dbraw/zinc/75/12/92/525751292.db2.gz ABQRYPUYARMMBZ-UHFFFAOYSA-N 0 0 489.016 4.421 50 0 JIAARN COc1cccc(-n2nnc(-c3nc(C)c(C(=O)N4CCN(c5ccc(F)cc5)CC4)s3)c2C)c1 ZINC000064998618 525755639 /nfs/dbraw/zinc/75/56/39/525755639.db2.gz BMYMUTALBIFKNZ-UHFFFAOYSA-N 0 0 492.580 4.118 50 0 JIAARN Cc1ccc([C@@H](CN2CCOCC2)NCc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)cc1 ZINC000022800448 525759271 /nfs/dbraw/zinc/75/92/71/525759271.db2.gz KTGFWFYTMDZCNT-JOCHJYFZSA-N 0 0 478.593 4.262 50 0 JIAARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](CC(=O)N1CCCC1)CS2 ZINC000033290356 525779181 /nfs/dbraw/zinc/77/91/81/525779181.db2.gz CASZKRWDDWJFLK-HNNXBMFYSA-N 0 0 494.038 4.122 50 0 JIAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000046123751 525782639 /nfs/dbraw/zinc/78/26/39/525782639.db2.gz SBEDDARXLIMWOV-CQSZACIVSA-N 0 0 495.001 4.460 50 0 JIAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c3ccccc3nc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000021861762 525789519 /nfs/dbraw/zinc/78/95/19/525789519.db2.gz NJOFWRUZDORXJG-VWLOTQADSA-N 0 0 450.970 4.206 50 0 JIAARN COc1cccc(C(=O)N(CCN2CCOCC2)Cc2csc(COc3cc(C)cc(C)c3)n2)c1 ZINC000036105191 525791676 /nfs/dbraw/zinc/79/16/76/525791676.db2.gz CCYYKSCWDMEGKA-UHFFFAOYSA-N 0 0 495.645 4.322 50 0 JIAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccsc32)C(=O)N1c1ccc2c(c1)OCCO2 ZINC000035482118 525791986 /nfs/dbraw/zinc/79/19/86/525791986.db2.gz JFKZPLLSAHHNKE-VWLOTQADSA-N 0 0 465.575 4.342 50 0 JIAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3cc(C)ccn3c(=O)n2)cc1 ZINC000016689531 525795552 /nfs/dbraw/zinc/79/55/52/525795552.db2.gz KVUCBTIITIZUFS-IBGZPJMESA-N 0 0 475.599 4.238 50 0 JIAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c3ccccc3nc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000021862305 525803875 /nfs/dbraw/zinc/80/38/75/525803875.db2.gz ZMYLAUOJMHYOSW-SANMLTNESA-N 0 0 458.949 4.421 50 0 JIAARN Cc1ccc(-c2nccc(N3CCC[C@@H](C(=O)N4CCN(Cc5ccccc5)CC4)C3)n2)cc1 ZINC000064928990 525833466 /nfs/dbraw/zinc/83/34/66/525833466.db2.gz HXTLSCGBJQVJRY-RUZDIDTESA-N 0 0 455.606 4.013 50 0 JIAARN Cc1c(NC(=O)COc2ncnc3scc(-c4ccc(F)cc4)c32)c(=O)n(-c2ccccc2)n1C ZINC000002659084 525836619 /nfs/dbraw/zinc/83/66/19/525836619.db2.gz KWLRTXVRAXMWNF-UHFFFAOYSA-N 0 0 489.532 4.313 50 0 JIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000003475761 525839400 /nfs/dbraw/zinc/83/94/00/525839400.db2.gz DWIUJDVRDFGXLC-LJQANCHMSA-N 0 0 483.524 4.438 50 0 JIAARN Cc1c(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000012466038 525865208 /nfs/dbraw/zinc/86/52/08/525865208.db2.gz JSYHRMXAPHMNKJ-WMZOPIPTSA-N 0 0 486.454 4.187 50 0 JIAARN Cc1ccc(-c2nsc3c2nc(SCC(=O)NCc2ccccc2Cl)n(C)c3=O)cc1 ZINC000033300264 525888585 /nfs/dbraw/zinc/88/85/85/525888585.db2.gz QAZXJNRXOBFIMT-UHFFFAOYSA-N 0 0 471.007 4.427 50 0 JIAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)N[C@H](C)c3cccnc3)CC2)cc1 ZINC000033302325 525895589 /nfs/dbraw/zinc/89/55/89/525895589.db2.gz YULFENWONXAZLU-GOSISDBHSA-N 0 0 473.602 4.244 50 0 JIAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)NCc3ccccc3)C2)cc1 ZINC000033302484 525895870 /nfs/dbraw/zinc/89/58/70/525895870.db2.gz DJIHIRSZIFPKHE-HXUWFJFHSA-N 0 0 458.587 4.288 50 0 JIAARN Cc1ccc(-n2c(CN3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)nc3cccnc32)cc1 ZINC000033280781 525895960 /nfs/dbraw/zinc/89/59/60/525895960.db2.gz BLJOHSPNAWLFGL-UHFFFAOYSA-N 0 0 489.645 4.161 50 0 JIAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)N[C@@H](C)c3cccnc3)CC2)cc1 ZINC000033302326 525896101 /nfs/dbraw/zinc/89/61/01/525896101.db2.gz YULFENWONXAZLU-SFHVURJKSA-N 0 0 473.602 4.244 50 0 JIAARN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)cc1 ZINC000033280360 525910809 /nfs/dbraw/zinc/91/08/09/525910809.db2.gz YOJXNHJUHWMXHE-NRFANRHFSA-N 0 0 485.632 4.014 50 0 JIAARN COc1cccc(CN2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021852788 525927830 /nfs/dbraw/zinc/92/78/30/525927830.db2.gz IUVXMGFUKNOXJD-MHZLTWQESA-N 0 0 466.626 4.443 50 0 JIAARN Cc1ccc(-n2nc(N3CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)ccc2=O)cc1C ZINC000033037829 525929758 /nfs/dbraw/zinc/92/97/58/525929758.db2.gz OFOLTRVSJCYNQT-UHFFFAOYSA-N 0 0 471.483 4.222 50 0 JIAARN Cc1ccc(-n2nc(O[C@@H](C)C(=O)Nc3ccc(Br)cc3F)ccc2=O)cc1C ZINC000033125287 525930074 /nfs/dbraw/zinc/93/00/74/525930074.db2.gz BXSAHWNQARBHAC-AWEZNQCLSA-N 0 0 460.303 4.157 50 0 JIAARN C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000027745319 525937143 /nfs/dbraw/zinc/93/71/43/525937143.db2.gz CFOHFLYPTMWXJU-OXJNMPFZSA-N 0 0 475.513 4.208 50 0 JIAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NC3CCCCCCC3)c2oc1C(=O)N1CCOCC1 ZINC000065010769 525940480 /nfs/dbraw/zinc/94/04/80/525940480.db2.gz ILQWEJUXUDFCAX-UHFFFAOYSA-N 0 0 462.612 4.222 50 0 JIAARN COc1cccc(CNC(=O)CCc2nc(C3=CCN(Cc4ccc(Cl)cc4)CC3)no2)c1 ZINC000033069235 525968081 /nfs/dbraw/zinc/96/80/81/525968081.db2.gz VAOGUFJHEXVEFV-UHFFFAOYSA-N 0 0 466.969 4.270 50 0 JIAARN COc1cccc(CNC(=O)CCc2c(C)c3c(C)nn(-c4cccc(F)c4)c3nc2OC)c1 ZINC000046006789 525968676 /nfs/dbraw/zinc/96/86/76/525968676.db2.gz IMKPUMJZODECLH-UHFFFAOYSA-N 0 0 462.525 4.443 50 0 JIAARN COc1cccc(CNC(=O)CSc2cc(C)nc3c(-c4ccc(F)cc4)cnn32)c1OC ZINC000033268989 525972463 /nfs/dbraw/zinc/97/24/63/525972463.db2.gz RLTQGWXZYOXNRR-UHFFFAOYSA-N 0 0 466.538 4.270 50 0 JIAARN COc1cccc(CNC(=O)CSc2nc3c(-c4ccc(C)cc4)csc3c(=O)n2C)c1 ZINC000016846022 525975388 /nfs/dbraw/zinc/97/53/88/525975388.db2.gz UHHYZEGFEGDWHA-UHFFFAOYSA-N 0 0 465.600 4.388 50 0 JIAARN CSc1ccc(CNC(=O)C2CCN(c3c(NC(C)=O)c(C)nn3-c3ccccc3)CC2)cc1 ZINC000021650501 525993556 /nfs/dbraw/zinc/99/35/56/525993556.db2.gz VXMJIGMKTKLFNT-UHFFFAOYSA-N 0 0 477.634 4.394 50 0 JIAARN CSc1ccc(CNC(=O)[C@@H](C)n2nc(C)c3nn(-c4ccccc4)c(-n4cccc4)c3c2=O)cc1 ZINC000033058012 525997652 /nfs/dbraw/zinc/99/76/52/525997652.db2.gz DDDNEGDTRZEBGH-LJQANCHMSA-N 0 0 498.612 4.281 50 0 JIAARN CSc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4ccc(C)c(Cl)c4)n3)C2)cc1 ZINC000064928745 525999639 /nfs/dbraw/zinc/99/96/39/525999639.db2.gz SERVPRXDERBLNQ-IBGZPJMESA-N 0 0 483.037 4.449 50 0 JIAARN CSc1ccc(CNC(=O)[C@H](C)n2nc(C)c3nn(-c4ccccc4)c(-n4cccc4)c3c2=O)cc1 ZINC000033058015 526000216 /nfs/dbraw/zinc/00/02/16/526000216.db2.gz DDDNEGDTRZEBGH-IBGZPJMESA-N 0 0 498.612 4.281 50 0 JIAARN C[C@H](Sc1nnc(-c2ccco2)n1CCC(N)=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000022765263 526011606 /nfs/dbraw/zinc/01/16/06/526011606.db2.gz PWSNOKCPGGLIFM-JTQLQIEISA-N 0 0 487.891 4.205 50 0 JIAARN Cc1ccc(C(=O)Cn2cnc3c2c(=O)n(CCc2ccccc2)c(=O)n3-c2ccc(F)cc2)c(C)c1 ZINC000034695192 526051188 /nfs/dbraw/zinc/05/11/88/526051188.db2.gz TUCBJJCDXFHTEX-UHFFFAOYSA-N 0 0 496.542 4.230 50 0 JIAARN C[C@@H](c1ccc(F)c(F)c1)N(C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012517292 526052239 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ZINC000000956689 553884290 /nfs/dbraw/zinc/88/42/90/553884290.db2.gz MZVVURNQSDVWEH-DEOSSOPVSA-N 0 0 474.586 4.491 50 0 JIAARN COc1ccc(Cl)cc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000000972292 553887754 /nfs/dbraw/zinc/88/77/54/553887754.db2.gz GGLJJFKLZMNNFO-UHFFFAOYSA-N 0 0 458.967 4.203 50 0 JIAARN CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)c1cc(C(F)(F)F)ccc1Cl ZINC000000982774 553891608 /nfs/dbraw/zinc/89/16/08/553891608.db2.gz YSBREWMWUSBQAP-UHFFFAOYSA-N 0 0 455.285 4.095 50 0 JIAARN Cc1ccc(-n2c3nnc(SCC(N)=O)n3c3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000000986056 553893426 /nfs/dbraw/zinc/89/34/26/553893426.db2.gz RZNRQSKFUVQLHR-UHFFFAOYSA-N 0 0 485.613 4.191 50 0 JIAARN Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cccc4ncccc42)C3=O)cc1 ZINC000000991415 553895706 /nfs/dbraw/zinc/89/57/06/553895706.db2.gz QDJKPFAUXINJBJ-UHFFFAOYSA-N 0 0 450.450 4.384 50 0 JIAARN O=C(c1ccccc1F)N1C(=O)/C(=C/c2ccccc2I)SC1=S ZINC000001027719 553900799 /nfs/dbraw/zinc/90/07/99/553900799.db2.gz SLZLPNYTNVZEHD-ZROIWOOFSA-N 0 0 469.300 4.472 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(SC)c3)C2)cc1Cl ZINC000001061567 553902981 /nfs/dbraw/zinc/90/29/81/553902981.db2.gz JPKRJOVXBPKXQT-CQSZACIVSA-N 0 0 455.001 4.110 50 0 JIAARN O=C(NCCc1ccccc1)c1c2c(sc1NC(=O)[C@H]1COc3ccccc3O1)CCCC2 ZINC000001099085 553907337 /nfs/dbraw/zinc/90/73/37/553907337.db2.gz JCCREZATSIVUDT-OAQYLSRUSA-N 0 0 462.571 4.378 50 0 JIAARN CSc1cccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1 ZINC000001150145 553916730 /nfs/dbraw/zinc/91/67/30/553916730.db2.gz VCLMWZGBZHVSQW-UHFFFAOYSA-N 0 0 452.907 4.485 50 0 JIAARN COc1ccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1Cl ZINC000001173368 553923349 /nfs/dbraw/zinc/92/33/49/553923349.db2.gz VTAZSSFFVLDDPS-UHFFFAOYSA-N 0 0 460.939 4.191 50 0 JIAARN Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cccc(I)c2)cc1 ZINC000001185064 553930268 /nfs/dbraw/zinc/93/02/68/553930268.db2.gz OBIXKWPOGHHJOT-IBGZPJMESA-N 0 0 460.271 4.244 50 0 JIAARN COC(=O)c1nc2ccccc2c(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1C(=O)OC ZINC000001386533 553966215 /nfs/dbraw/zinc/96/62/15/553966215.db2.gz FQADCKHNYFVKEA-UHFFFAOYSA-N 0 0 456.380 4.075 50 0 JIAARN Cc1cc(I)ccc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O ZINC000001913129 554003020 /nfs/dbraw/zinc/00/30/20/554003020.db2.gz PHFWOTHBRRUASS-UHFFFAOYSA-N 0 0 452.679 4.031 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2ccc(C)cc2)cc1 ZINC000002057238 554015050 /nfs/dbraw/zinc/01/50/50/554015050.db2.gz BVPGXAWJBWGBDL-FQEVSTJZSA-N 0 0 452.576 4.466 50 0 JIAARN CCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)[C@@H](C)CC)ccc12 ZINC000002092024 554035199 /nfs/dbraw/zinc/03/51/99/554035199.db2.gz JMWAZPNUMIIFAI-HJPURHCSSA-N 0 0 471.575 4.271 50 0 JIAARN CCCc1cc(=O)oc2cc(OC(=O)[C@H](CCC)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002092081 554035344 /nfs/dbraw/zinc/03/53/44/554035344.db2.gz WYVGQOOSWAZVFT-NRFANRHFSA-N 0 0 457.548 4.107 50 0 biogenic JIAARN CCCc1cc(=O)oc2cc(OC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)[C@@H](C)CC)ccc12 ZINC000002093840 554037628 /nfs/dbraw/zinc/03/76/28/554037628.db2.gz WPAANRZIOHWEDO-XDHUDOTRSA-N 0 0 471.575 4.353 50 0 JIAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)cc(C)c2cc1Cl ZINC000002095490 554039951 /nfs/dbraw/zinc/03/99/51/554039951.db2.gz PQOKSRYDVIMMFX-RCDICMHDSA-N 0 0 477.966 4.362 50 0 JIAARN O=C(NCCCCNC(=O)c1ccccc1Br)c1ccccc1Br ZINC000002096227 554040532 /nfs/dbraw/zinc/04/05/32/554040532.db2.gz AHVYZBFNLRRHII-UHFFFAOYSA-N 0 0 454.162 4.152 50 0 JIAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)CC(=O)N32)cc1 ZINC000002104482 554045259 /nfs/dbraw/zinc/04/52/59/554045259.db2.gz VEINISVGCJHJON-FIPFOOKPSA-N 0 0 479.536 4.090 50 0 biogenic JIAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4cccs4)CC(=O)N23)c1 ZINC000002104393 554045305 /nfs/dbraw/zinc/04/53/05/554045305.db2.gz SYMHDLVKROUFII-WIOPSUGQSA-N 0 0 457.555 4.123 50 0 biogenic JIAARN Cc1c2occ(-c3ccc(F)cc3)c2cc2c(C)c(CC(=O)N3CCC(C(N)=O)CC3)c(=O)oc12 ZINC000002113936 554052337 /nfs/dbraw/zinc/05/23/37/554052337.db2.gz CSEAAUJNOOGRHL-UHFFFAOYSA-N 0 0 476.504 4.229 50 0 biogenic JIAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000002115570 554053064 /nfs/dbraw/zinc/05/30/64/554053064.db2.gz ILBGNHFLWVTBNM-CVGPFBNFSA-N 0 0 490.968 4.322 50 0 JIAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccc(F)cc3)CC(=O)N12 ZINC000002118899 554054783 /nfs/dbraw/zinc/05/47/83/554054783.db2.gz GOYNEORKEKYKKI-WNCULLNHSA-N 0 0 469.516 4.201 50 0 biogenic JIAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC(C)C)CC(=O)N32)cc1OC ZINC000002120500 554055638 /nfs/dbraw/zinc/05/56/38/554055638.db2.gz SBNCKWKTWGGIEU-CUNXSJBXSA-N 0 0 475.589 4.306 50 0 biogenic JIAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 ZINC000002136728 554061994 /nfs/dbraw/zinc/06/19/94/554061994.db2.gz ISCHDLFYKVZBQX-LICLKQGHSA-N 0 0 481.599 4.047 50 0 JIAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccccc3)o2)c(C(=O)OCC)c1C ZINC000002140641 554064124 /nfs/dbraw/zinc/06/41/24/554064124.db2.gz COQJPUWEUMJODS-UHFFFAOYSA-N 0 0 475.548 4.191 50 0 JIAARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 ZINC000002147040 554066960 /nfs/dbraw/zinc/06/69/60/554066960.db2.gz VKXHEBAXIVIVBZ-HJPURHCSSA-N 0 0 471.575 4.325 50 0 JIAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000002148733 554068140 /nfs/dbraw/zinc/06/81/40/554068140.db2.gz XIJZSWMHHVANJO-QRQCRPRQSA-N 0 0 471.575 4.325 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2C)cc1 ZINC000002148999 554068156 /nfs/dbraw/zinc/06/81/56/554068156.db2.gz KELDYEZZMHMVNX-UHFFFAOYSA-N 0 0 471.575 4.471 50 0 biogenic JIAARN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)ccc1O ZINC000002185232 554082307 /nfs/dbraw/zinc/08/23/07/554082307.db2.gz MFRYZULWNWESDL-BIWBSIMWSA-N 0 0 496.588 4.042 50 0 JIAARN CCOC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(C(=O)OC)=NN2c2ccccc2)S1 ZINC000002201772 554091279 /nfs/dbraw/zinc/09/12/79/554091279.db2.gz BEINOCSYNIDIRQ-QFIPXVFZSA-N 0 0 455.561 4.386 50 0 JIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2sc(C)c(C)c2c(N)n1 ZINC000002218119 554099305 /nfs/dbraw/zinc/09/93/05/554099305.db2.gz JARCJHBSJPWMIA-UHFFFAOYSA-N 0 0 450.611 4.476 50 0 JIAARN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1ccc2c(c1)OCCO2 ZINC000002227393 554103786 /nfs/dbraw/zinc/10/37/86/554103786.db2.gz AQNIEKFTZKCKJE-PVPMGCCUSA-N 0 0 480.586 4.422 50 0 JIAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1cccc(Br)c1 ZINC000002234461 554107006 /nfs/dbraw/zinc/10/70/06/554107006.db2.gz JWHGLZWSYGDJQE-UHFFFAOYSA-N 0 0 470.352 4.475 50 0 JIAARN Nc1c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 ZINC000002256339 554119169 /nfs/dbraw/zinc/11/91/69/554119169.db2.gz TUJNJQAEDQEKLC-UHFFFAOYSA-N 0 0 469.476 4.013 50 0 JIAARN COc1ccc(CCNC(=O)c2c(N)n(CCc3ccccc3)c3nc4ccccc4nc32)cc1OC ZINC000002290546 554135005 /nfs/dbraw/zinc/13/50/05/554135005.db2.gz DBDICWUVYFIQHW-UHFFFAOYSA-N 0 0 495.583 4.399 50 0 JIAARN CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)[C@H](C)CCC3 ZINC000002296540 554137865 /nfs/dbraw/zinc/13/78/65/554137865.db2.gz HGSDQWREBIPCMZ-CYBMUJFWSA-N 0 0 454.577 4.190 50 0 JIAARN CCOC(=O)[C@H](C)Sc1nc2ccc(I)cc2c(=O)n1-c1ccc(C)cc1 ZINC000002318509 554146626 /nfs/dbraw/zinc/14/66/26/554146626.db2.gz JHBOEHWGZJWLHM-ZDUSSCGKSA-N 0 0 494.354 4.342 50 0 JIAARN COc1ccc(Cn2c(N)c(C(=O)NCc3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000002318523 554146701 /nfs/dbraw/zinc/14/67/01/554146701.db2.gz IPGPLXNWMPBZTG-UHFFFAOYSA-N 0 0 455.493 4.293 50 0 JIAARN CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000002373748 554172129 /nfs/dbraw/zinc/17/21/29/554172129.db2.gz WAOPDGJPWSIKFP-QFIPXVFZSA-N 0 0 483.586 4.341 50 0 JIAARN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(O)cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000002377543 554174081 /nfs/dbraw/zinc/17/40/81/554174081.db2.gz FRHBJFQSWJBTNF-MFCBUNOESA-N 0 0 496.588 4.042 50 0 JIAARN COc1ccc(CNC(=O)c2c(N)n(CCc3ccccc3F)c3nc4ccccc4nc32)cc1 ZINC000002377580 554174475 /nfs/dbraw/zinc/17/44/75/554174475.db2.gz VVHUKXPGKLGMLU-UHFFFAOYSA-N 0 0 469.520 4.487 50 0 JIAARN COc1ccc(CCn2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1OC ZINC000002397238 554183684 /nfs/dbraw/zinc/18/36/84/554183684.db2.gz ATMGYUBEIOVOFB-UHFFFAOYSA-N 0 0 461.566 4.203 50 0 JIAARN COc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002410745 554191664 /nfs/dbraw/zinc/19/16/64/554191664.db2.gz XZWCBPKCGOACNU-OXQOHEQNSA-N 0 0 470.319 4.288 50 0 JIAARN COc1ccc(OC)c([C@H]2SCCN2C(=O)c2cc3cc(Br)ccc3oc2=O)c1 ZINC000002501330 554229339 /nfs/dbraw/zinc/22/93/39/554229339.db2.gz SNLRIJFJXTZUAN-HXUWFJFHSA-N 0 0 476.348 4.461 50 0 JIAARN O=C(Nc1nnc(SCc2ccccc2)s1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000002586495 554238423 /nfs/dbraw/zinc/23/84/23/554238423.db2.gz UDVRBOXGDHJKRB-UHFFFAOYSA-N 0 0 474.633 4.257 50 0 JIAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2cc(C)on2)cc1Cl ZINC000002619992 554244842 /nfs/dbraw/zinc/24/48/42/554244842.db2.gz GYOWWIOGHVVGOD-UHFFFAOYSA-N 0 0 456.911 4.075 50 0 JIAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)c4ccc5c(c4)OCCO5)cc3)ccc12 ZINC000002620743 554245463 /nfs/dbraw/zinc/24/54/63/554245463.db2.gz KPLXWUIBYRPETC-UHFFFAOYSA-N 0 0 486.476 4.491 50 0 JIAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000002622594 554246865 /nfs/dbraw/zinc/24/68/65/554246865.db2.gz NNBKGUJDKXFMSR-UHFFFAOYSA-N 0 0 486.494 4.231 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)NCCC3=CCCCC3)o2)c1 ZINC000002622808 554246899 /nfs/dbraw/zinc/24/68/99/554246899.db2.gz WCWGYAQXDCTPMH-QGZVFWFLSA-N 0 0 492.667 4.254 50 0 JIAARN CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)N(C)c2cc(Cl)c(OC)cc2OC)c1 ZINC000002623649 554247733 /nfs/dbraw/zinc/24/77/33/554247733.db2.gz PZQZBAIGAAAENC-UHFFFAOYSA-N 0 0 454.976 4.101 50 0 JIAARN O=C(CCCOc1ccc(Br)cc1)Nn1cnc2sc3c(c2c1=O)CCCC3 ZINC000002626511 554249862 /nfs/dbraw/zinc/24/98/62/554249862.db2.gz BAZSLYFBEYXEKT-UHFFFAOYSA-N 0 0 462.369 4.029 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 ZINC000002629286 554252068 /nfs/dbraw/zinc/25/20/68/554252068.db2.gz JRVMHGZHIIFPIU-UHFFFAOYSA-N 0 0 479.842 4.420 50 0 JIAARN CCC[C@H](CNC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1Cl ZINC000002640892 554260344 /nfs/dbraw/zinc/26/03/44/554260344.db2.gz LPEVPBINNKAHCU-OAHLLOKOSA-N 0 0 490.387 4.406 50 0 JIAARN CCC[C@H](CNC(=O)COC(=O)c1nn(C)c(=O)c2ccccc21)c1ccc(Cl)cc1Cl ZINC000002644867 554262764 /nfs/dbraw/zinc/26/27/64/554262764.db2.gz DJTQKVGHUGIIGR-CQSZACIVSA-N 0 0 476.360 4.097 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)NC(=O)NCc1ccccc1 ZINC000002645719 554263224 /nfs/dbraw/zinc/26/32/24/554263224.db2.gz ZRAYJPSVGARNHR-UHFFFAOYSA-N 0 0 478.961 4.157 50 0 JIAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1C ZINC000002645698 554263237 /nfs/dbraw/zinc/26/32/37/554263237.db2.gz IKPDXVFEAPOHNW-UHFFFAOYSA-N 0 0 494.569 4.015 50 0 JIAARN C[C@@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)C(=O)Nc1ccc(F)cc1Cl ZINC000002652153 554268056 /nfs/dbraw/zinc/26/80/56/554268056.db2.gz YCSKUBYUXNLBGY-CYBMUJFWSA-N 0 0 457.889 4.099 50 0 JIAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000002653378 554269358 /nfs/dbraw/zinc/26/93/58/554269358.db2.gz XBFJDKZWMMBVMN-UHFFFAOYSA-N 0 0 484.585 4.244 50 0 JIAARN Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccc4nsnc43)n2)cc1 ZINC000002654335 554270047 /nfs/dbraw/zinc/27/00/47/554270047.db2.gz LQUDOUPDDRXCAO-SFHVURJKSA-N 0 0 499.643 4.305 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSCc3c(Cl)cccc3Cl)CC2)cc1 ZINC000002655062 554270758 /nfs/dbraw/zinc/27/07/58/554270758.db2.gz AFWVYADLOLVLHB-UHFFFAOYSA-N 0 0 473.447 4.068 50 0 JIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3ccc(N4CCOCC4)cc3)cc12 ZINC000002655993 554271734 /nfs/dbraw/zinc/27/17/34/554271734.db2.gz UGFDEJJRMNENEZ-UHFFFAOYSA-N 0 0 476.558 4.028 50 0 JIAARN CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000002660134 554274046 /nfs/dbraw/zinc/27/40/46/554274046.db2.gz YEMXWZKFRAFLFU-UHFFFAOYSA-N 0 0 450.507 4.211 50 0 JIAARN O=C(COC(=O)c1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1)c1ccc2c(c1)OCCO2 ZINC000002662843 554276137 /nfs/dbraw/zinc/27/61/37/554276137.db2.gz RESIBMJBEMKJPR-UHFFFAOYSA-N 0 0 493.471 4.451 50 0 JIAARN C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000002664610 554277667 /nfs/dbraw/zinc/27/76/67/554277667.db2.gz ICINXAORXDHZOC-CQSZACIVSA-N 0 0 459.572 4.377 50 0 JIAARN Cc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCc2ccccc2)=C(C)N=3)cc1 ZINC000002671604 554279642 /nfs/dbraw/zinc/27/96/42/554279642.db2.gz ZWTVUJRERMGXCL-FCKOQQNDSA-N 0 0 486.618 4.349 50 0 JIAARN COc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc4c(cc32)OCO4)c1 ZINC000002688524 554284580 /nfs/dbraw/zinc/28/45/80/554284580.db2.gz IRQRNIFKQUFRKY-UHFFFAOYSA-N 0 0 490.899 4.262 50 0 JIAARN COc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(OC)ccc32)c1 ZINC000002688520 554284593 /nfs/dbraw/zinc/28/45/93/554284593.db2.gz MEWVCLMADCOLFB-UHFFFAOYSA-N 0 0 460.461 4.028 50 0 JIAARN CCc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1 ZINC000002691696 554287627 /nfs/dbraw/zinc/28/76/27/554287627.db2.gz AOUHGVJKPJITOO-UHFFFAOYSA-N 0 0 482.508 4.314 50 0 JIAARN O=C(Cc1cccc2ccccc21)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 ZINC000002695002 554292071 /nfs/dbraw/zinc/29/20/71/554292071.db2.gz YHEKRLNTJQTYMN-UHFFFAOYSA-N 0 0 451.573 4.415 50 0 JIAARN CCOC(=O)[C@@H](CC)Sc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 ZINC000002720054 554305421 /nfs/dbraw/zinc/30/54/21/554305421.db2.gz OHELCMCCTJPOEZ-CQSZACIVSA-N 0 0 455.399 4.077 50 0 JIAARN CCOc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCC(=O)N2CCCCC2)cc1 ZINC000002720807 554306409 /nfs/dbraw/zinc/30/64/09/554306409.db2.gz LUZBJTZKNWLCKF-UHFFFAOYSA-N 0 0 462.575 4.370 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccccc2)cc1 ZINC000002724798 554311483 /nfs/dbraw/zinc/31/14/83/554311483.db2.gz YDOTZCUYVHPFBF-VWLOTQADSA-N 0 0 495.576 4.040 50 0 JIAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)NCc1cccs1 ZINC000002725954 554312130 /nfs/dbraw/zinc/31/21/30/554312130.db2.gz IQXQWNBXHUWASN-UHFFFAOYSA-N 0 0 450.545 4.133 50 0 JIAARN COc1ccc(N2C(=O)C[C@H](N(Cc3cccs3)C(=O)Nc3ccc(F)cc3)C2=O)cc1 ZINC000002728063 554313504 /nfs/dbraw/zinc/31/35/04/554313504.db2.gz GPHPCEBQONZITM-FQEVSTJZSA-N 0 0 453.495 4.262 50 0 JIAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)cc1 ZINC000002728622 554313511 /nfs/dbraw/zinc/31/35/11/554313511.db2.gz PVJGMLQIOTVQPD-FQEVSTJZSA-N 0 0 453.495 4.262 50 0 JIAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2C2CC2)cc1 ZINC000002729321 554313823 /nfs/dbraw/zinc/31/38/23/554313823.db2.gz LQAXJQJUUWWZGX-LJQANCHMSA-N 0 0 473.982 4.241 50 0 JIAARN CCn1cc(-c2ccnc(SCC(=O)Nc3ccn(Cc4c(F)cccc4Cl)n3)n2)c(C)n1 ZINC000002731262 554315540 /nfs/dbraw/zinc/31/55/40/554315540.db2.gz CTKDXJAZINUFJC-UHFFFAOYSA-N 0 0 485.976 4.437 50 0 JIAARN CCn1cc(-c2ccnc(SCC(=O)Nc3ccc(Br)cc3F)n2)c(C)n1 ZINC000002731438 554315806 /nfs/dbraw/zinc/31/58/06/554315806.db2.gz AKDHIXMRTMIUJM-UHFFFAOYSA-N 0 0 450.337 4.301 50 0 JIAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1N1C(=S)N=NC1[C@H](C)Cn1cc(Br)cn1 ZINC000002732911 554317001 /nfs/dbraw/zinc/31/70/01/554317001.db2.gz FVRQJNCLNLQVQJ-CQSZACIVSA-N 0 0 486.443 4.489 50 0 JIAARN NC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3ccco3)cc(C(F)(F)F)n1)CCC2 ZINC000002776694 554339817 /nfs/dbraw/zinc/33/98/17/554339817.db2.gz HJJBIMCHKVEEEZ-UHFFFAOYSA-N 0 0 468.482 4.135 50 0 JIAARN Cc1nn(CCCNC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)c(C)c1Br ZINC000002793608 554349249 /nfs/dbraw/zinc/34/92/49/554349249.db2.gz KSJCBVVYCKITSO-UHFFFAOYSA-N 0 0 470.721 4.036 50 0 JIAARN CCn1ccc(CNC(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Cl)n1 ZINC000002794040 554349527 /nfs/dbraw/zinc/34/95/27/554349527.db2.gz DTEWLLWMLMWCPF-UHFFFAOYSA-N 0 0 454.865 4.276 50 0 JIAARN COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1ccc(Cl)cc1 ZINC000002796715 554350693 /nfs/dbraw/zinc/35/06/93/554350693.db2.gz UDAYWFJXXAUGFF-UHFFFAOYSA-N 0 0 457.910 4.070 50 0 JIAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000002802160 554353681 /nfs/dbraw/zinc/35/36/81/554353681.db2.gz OPQUUCMOPKPGRK-GFCCVEGCSA-N 0 0 462.877 4.120 50 0 JIAARN Cc1ccc(Cn2cc(N3C(=S)N=NC3Cn3nc(C(F)(F)F)cc3C3CC3)cn2)cc1 ZINC000002808653 554358767 /nfs/dbraw/zinc/35/87/67/554358767.db2.gz ZRPRCIAMESBMQQ-UHFFFAOYSA-N 0 0 459.501 4.250 50 0 JIAARN Cc1ccc(S(=O)(=O)c2cc(OC(=O)c3ccco3)ccc2OC(=O)c2ccco2)cc1 ZINC000002810603 554360156 /nfs/dbraw/zinc/36/01/56/554360156.db2.gz WZNOHZMMEGQISW-UHFFFAOYSA-N 0 0 452.440 4.452 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)c2ccc(C)cc2)cc1OC ZINC000002812834 554361202 /nfs/dbraw/zinc/36/12/02/554361202.db2.gz HUGWUSJDFVADCQ-UHFFFAOYSA-N 0 0 472.607 4.214 50 0 JIAARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Br)c(Cl)c1)S(C)(=O)=O ZINC000002851307 554379296 /nfs/dbraw/zinc/37/92/96/554379296.db2.gz YPCSJLXOWUYSQO-UHFFFAOYSA-N 0 0 482.183 4.169 50 0 JIAARN CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccc(Br)cc1F ZINC000002854064 554381924 /nfs/dbraw/zinc/38/19/24/554381924.db2.gz QINDRYNFBANZJK-UHFFFAOYSA-N 0 0 492.374 4.112 50 0 JIAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(OCC(N)=O)cc1)N(Cc1ccccc1)C3=O ZINC000002859413 554386154 /nfs/dbraw/zinc/38/61/54/554386154.db2.gz GITCLUICVVJSPQ-RUZDIDTESA-N 0 0 468.509 4.019 50 0 JIAARN CCc1ccc(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)s1 ZINC000002867696 554393285 /nfs/dbraw/zinc/39/32/85/554393285.db2.gz DHBIRABPTNIXPM-UHFFFAOYSA-N 0 0 451.573 4.103 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(SC)cc3)cc2)c(OC)c1 ZINC000002873624 554396822 /nfs/dbraw/zinc/39/68/22/554396822.db2.gz VRVJULBMUYSADR-UHFFFAOYSA-N 0 0 494.616 4.027 50 0 JIAARN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(I)c2)CC1 ZINC000002875320 554398040 /nfs/dbraw/zinc/39/80/40/554398040.db2.gz FENWYQZEMBDZKG-UHFFFAOYSA-N 0 0 497.764 4.256 50 0 JIAARN CCN1c2ccccc2[C@]2(C1=O)c1c(oc3ccccc3c1=O)C(=O)N2CCc1ccc(OC)cc1 ZINC000002882161 554404634 /nfs/dbraw/zinc/40/46/34/554404634.db2.gz QRNJQRZTIUZJRB-GDLZYMKVSA-N 0 0 480.520 4.110 50 0 JIAARN CCOc1cc(Br)c(/C=C2\NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000002895350 554409411 /nfs/dbraw/zinc/40/94/11/554409411.db2.gz YKFKORKUAOVTPB-SXGWCWSVSA-N 0 0 463.353 4.127 50 0 JIAARN Cc1ccc2c(c1)[C@H]1NC(=S)N(c3cccc(Br)c3)[C@@](C)(O2)[C@H]1C(=O)N(C)C ZINC000002963093 554413339 /nfs/dbraw/zinc/41/33/39/554413339.db2.gz SELYXRYSNQBWMP-OPYAIIAOSA-N 0 0 460.397 4.006 50 0 JIAARN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCCSCc1ccccc1 ZINC000002983117 554418362 /nfs/dbraw/zinc/41/83/62/554418362.db2.gz VOUWUGSMSPUNIF-UHFFFAOYSA-N 0 0 458.580 4.071 50 0 JIAARN Cc1cccc(CN(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002995697 554421662 /nfs/dbraw/zinc/42/16/62/554421662.db2.gz FJLUWOCITMZBIL-UHFFFAOYSA-N 0 0 486.977 4.249 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(SC)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000002997285 554421874 /nfs/dbraw/zinc/42/18/74/554421874.db2.gz NSVNHXLEBVZZHE-CNSVBDKNSA-N 0 0 485.030 4.174 50 0 JIAARN COc1ccc(C(=O)Oc2ccc(Cl)cc2NC2=NS(=O)(=O)c3ccccc32)cc1OC ZINC000003583329 554466653 /nfs/dbraw/zinc/46/66/53/554466653.db2.gz FYJKLWDRLMPTNV-UHFFFAOYSA-N 0 0 472.906 4.137 50 0 JIAARN COc1cccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccccc2F)c1 ZINC000004798807 554481082 /nfs/dbraw/zinc/48/10/82/554481082.db2.gz CLKJSGHRLWNSGX-RPWUZVMVSA-N 0 0 464.493 4.401 50 0 JIAARN COc1cccc(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccccc2F)c1 ZINC000004798817 554481119 /nfs/dbraw/zinc/48/11/19/554481119.db2.gz CLKJSGHRLWNSGX-ZEQRLZLVSA-N 0 0 464.493 4.401 50 0 JIAARN O=C(CSc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1)NCCc1ccccc1 ZINC000006296917 554528373 /nfs/dbraw/zinc/52/83/73/554528373.db2.gz GDEFZYZCPQWCAB-UHFFFAOYSA-N 0 0 486.018 4.378 50 0 JIAARN O=C(CSc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1 ZINC000006296878 554528482 /nfs/dbraw/zinc/52/84/82/554528482.db2.gz BFHYPGDROFJCGK-UHFFFAOYSA-N 0 0 471.991 4.335 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c2cc(Cl)ccc2C)cc1 ZINC000006348647 554532260 /nfs/dbraw/zinc/53/22/60/554532260.db2.gz RUOMQQBLYNWDSX-UHFFFAOYSA-N 0 0 490.050 4.456 50 0 JIAARN CSc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c2ccc(C)cc2)cc1 ZINC000006348655 554532285 /nfs/dbraw/zinc/53/22/85/554532285.db2.gz XUMWMFWWGJHJAS-UHFFFAOYSA-N 0 0 487.672 4.216 50 0 JIAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)N[C@@H]3CCCc4ccccc43)c(C)o2)cc1OC ZINC000006577354 554552704 /nfs/dbraw/zinc/55/27/04/554552704.db2.gz BUYHNGPKNHGENZ-BPJXYHRLSA-N 0 0 468.575 4.110 50 0 JIAARN COc1ccc(CNC(=O)c2cnn3c2nc(-c2cccc(OC)c2)cc3C(F)(F)F)cc1 ZINC000008396920 554571927 /nfs/dbraw/zinc/57/19/27/554571927.db2.gz SVHYSFHPNQIOEC-UHFFFAOYSA-N 0 0 456.424 4.362 50 0 JIAARN Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2C)cc1 ZINC000008442180 554591928 /nfs/dbraw/zinc/59/19/28/554591928.db2.gz UUVGORWUJOEGHW-UHFFFAOYSA-N 0 0 478.603 4.159 50 0 JIAARN CCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccccc2OC)cc1OC ZINC000008583224 554601044 /nfs/dbraw/zinc/60/10/44/554601044.db2.gz KDQODEVTFKRZNL-AREMUKBSSA-N 0 0 466.578 4.347 50 0 JIAARN CC(C)n1ncc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)NCc4ccccc4)c3)cnc21 ZINC000008751348 554653488 /nfs/dbraw/zinc/65/34/88/554653488.db2.gz REPMAQAMAYYTNM-UHFFFAOYSA-N 0 0 483.981 4.396 50 0 JIAARN COc1cc2c(c3oc(=O)c(CCC(=O)N(C)CCc4ccccn4)c(C)c13)CCC(C)(C)O2 ZINC000008765532 554666078 /nfs/dbraw/zinc/66/60/78/554666078.db2.gz YXZSRMZQBJGBSL-UHFFFAOYSA-N 0 0 464.562 4.242 50 0 biogenic JIAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(N3CCCC3)n1C1CC1)CCCC2 ZINC000008772538 554672322 /nfs/dbraw/zinc/67/23/22/554672322.db2.gz OAIDQTPZNBKSSB-CQSZACIVSA-N 0 0 489.667 4.450 50 0 JIAARN CN(Cc1ccccc1N1CCCC1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008778286 554675255 /nfs/dbraw/zinc/67/52/55/554675255.db2.gz JOQFUKSSVMVYRH-UHFFFAOYSA-N 0 0 469.651 4.053 50 0 JIAARN CC(C)(C)OC(=O)N[C@H](CSCCCC(=O)N1CCCCCC1)C(=O)N1CCCCCC1 ZINC000008781775 554678947 /nfs/dbraw/zinc/67/89/47/554678947.db2.gz SMHJCLCNVDYYAO-HXUWFJFHSA-N 0 0 469.692 4.198 50 0 JIAARN COc1cc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccnnc2)c(OC)cc1Cl ZINC000008782708 554679822 /nfs/dbraw/zinc/67/98/22/554679822.db2.gz PMALUBJFUJMRKF-JOCHJYFZSA-N 0 0 476.924 4.425 50 0 JIAARN COc1cccc(CN2CC(=O)N3C[C@@H](c4ccccc4OC)c4c5ccccc5[nH]c4[C@@]3(C)C2=O)c1 ZINC000008789214 554681649 /nfs/dbraw/zinc/68/16/49/554681649.db2.gz IAVXFNXGVBXAJS-JHOBJCJYSA-N 0 0 495.579 4.417 50 0 biogenic JIAARN CC(C)[C@@H](C(=O)N[C@H](C)c1ccccc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789368 554681975 /nfs/dbraw/zinc/68/19/75/554681975.db2.gz BUALWVOPQJRNSZ-DCMIEBIUSA-N 0 0 458.562 4.105 50 0 biogenic JIAARN CC(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789366 554681992 /nfs/dbraw/zinc/68/19/92/554681992.db2.gz BUALWVOPQJRNSZ-KVFJWPORSA-N 0 0 458.562 4.105 50 0 biogenic JIAARN CC1(C)CCc2c(cc(OCC(=O)NCCCn3ccnc3)c3c(-c4ccccc4)cc(=O)oc23)O1 ZINC000008791450 554684443 /nfs/dbraw/zinc/68/44/43/554684443.db2.gz AJGKXMZNVFEPCP-UHFFFAOYSA-N 0 0 487.556 4.345 50 0 biogenic JIAARN COC(=O)c1ccc(NC(=O)COc2cc3c(c4oc(=O)cc(C)c24)CCC(C)(C)O3)cc1 ZINC000008791350 554684487 /nfs/dbraw/zinc/68/44/87/554684487.db2.gz BFGNIFPCQOOPSV-UHFFFAOYSA-N 0 0 451.475 4.009 50 0 biogenic JIAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@@H](C)c1ccccc1 ZINC000008791816 554685139 /nfs/dbraw/zinc/68/51/39/554685139.db2.gz KYNCVQJNDCGRKD-OHBSULSQSA-N 0 0 479.646 4.443 50 0 biogenic JIAARN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000008832645 554727620 /nfs/dbraw/zinc/72/76/20/554727620.db2.gz UONZXZSAEIKDNC-UHFFFAOYSA-N 0 0 452.780 4.424 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c(C)c1 ZINC000008840681 554740131 /nfs/dbraw/zinc/74/01/31/554740131.db2.gz RFMQAELTXVHBLV-UHFFFAOYSA-N 0 0 463.559 4.234 50 0 JIAARN CCOC(=O)Cc1csc(NC(=O)c2c(=O)[nH]nc(-c3ccccc3)c2-c2ccccc2)n1 ZINC000008844052 554741153 /nfs/dbraw/zinc/74/11/53/554741153.db2.gz GREXACDSETZPGK-UHFFFAOYSA-N 0 0 460.515 4.331 50 0 JIAARN CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1OC ZINC000008845465 554742814 /nfs/dbraw/zinc/74/28/14/554742814.db2.gz MOZLZRKDHHGGEV-VWLOTQADSA-N 0 0 456.502 4.330 50 0 JIAARN COC(=O)[C@](NC(=O)Nc1ccc(OC(F)(F)F)cc1)(Nc1ccccc1)C(F)(F)F ZINC000008846666 554745558 /nfs/dbraw/zinc/74/55/58/554745558.db2.gz KNPBQBVYSPGTJH-MRXNPFEDSA-N 0 0 451.323 4.250 50 0 JIAARN CC[C@@H](c1nnc(S[C@H](C)C(=O)N2CCc3ccccc3C2)n1Cc1ccccc1)N(C)C ZINC000008849967 554747066 /nfs/dbraw/zinc/74/70/66/554747066.db2.gz BEUOCHDCAHZNFE-XXBNENTESA-N 0 0 463.651 4.405 50 0 JIAARN COCCn1c(SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)nc2sc(C)c(C)c2c1=O ZINC000008850749 554747901 /nfs/dbraw/zinc/74/79/01/554747901.db2.gz VYWIFTVAQWAITI-UHFFFAOYSA-N 0 0 486.619 4.400 50 0 JIAARN CCOc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(OC)cc3)n2)cc1 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CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccc(OC)c3)[C@@H](c3ccccc3)C2)cc1 ZINC000009382168 555146520 /nfs/dbraw/zinc/14/65/20/555146520.db2.gz NGJKNFJQVBYTQY-XMMPIXPASA-N 0 0 463.559 4.448 50 0 JIAARN COc1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2ccccc2)cc1OC ZINC000009382230 555146783 /nfs/dbraw/zinc/14/67/83/555146783.db2.gz SDMYXZRAUALFPI-JOCHJYFZSA-N 0 0 479.558 4.067 50 0 JIAARN COc1ccc(-c2nc(SCc3ccc(C(F)(F)F)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000009382393 555147209 /nfs/dbraw/zinc/14/72/09/555147209.db2.gz KRQGWTBVOZLHIY-UHFFFAOYSA-N 0 0 488.491 4.014 50 0 JIAARN C[C@H](NC(=O)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)c1cc2ccccc2o1 ZINC000009387941 555149627 /nfs/dbraw/zinc/14/96/27/555149627.db2.gz CJJLNARUMNORQJ-FQEVSTJZSA-N 0 0 481.552 4.386 50 0 JIAARN Cc1c(NC(=O)CN(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000009388378 555149821 /nfs/dbraw/zinc/14/98/21/555149821.db2.gz IYIWUVQZQKTMFB-HXUWFJFHSA-N 0 0 497.599 4.368 50 0 JIAARN CCOC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc(-c2cccc(C)c2)n1C ZINC000009390446 555151255 /nfs/dbraw/zinc/15/12/55/555151255.db2.gz PZOMPNNXFYABEV-UHFFFAOYSA-N 0 0 450.520 4.444 50 0 JIAARN CCOC(=O)CSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1cccc(C)c1 ZINC000009390959 555153039 /nfs/dbraw/zinc/15/30/39/555153039.db2.gz FIVYYHCGZJUHJO-UHFFFAOYSA-N 0 0 468.623 4.064 50 0 JIAARN CC(C)Oc1ccc(C(=O)Nc2nnc(SCC(=O)N3CCc4ccccc43)s2)cc1 ZINC000009391058 555153206 /nfs/dbraw/zinc/15/32/06/555153206.db2.gz RXLBXUCZRSXHKD-UHFFFAOYSA-N 0 0 454.577 4.259 50 0 JIAARN S=C(Nc1ccc(I)cc1)N1CCn2cccc2[C@H]1c1cccnc1 ZINC000009391168 555153677 /nfs/dbraw/zinc/15/36/77/555153677.db2.gz OYFBLTTURTWDPA-GOSISDBHSA-N 0 0 460.344 4.290 50 0 JIAARN COc1ccc(OC)c(NC(=S)N2CCn3cccc3[C@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000009391184 555153693 /nfs/dbraw/zinc/15/36/93/555153693.db2.gz PMPWATZUCGPEIB-HSZRJFAPSA-N 0 0 483.590 4.333 50 0 JIAARN Cc1cc(C)cc(C(=O)NCCn2cc(SCC(=O)NC[C@@H]3CCCO3)c3ccccc32)c1 ZINC000009394596 555158098 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COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CCc2ccccc2OC)cc1 ZINC000013577005 555516544 /nfs/dbraw/zinc/51/65/44/555516544.db2.gz IZXWGQZXJDZKCR-QHCPKHFHSA-N 0 0 489.597 4.277 50 0 JIAARN O=C(C[C@H]1C(=O)N(CCc2ccccc2)C(=S)N1Cc1ccccc1)Nc1ccc(F)cc1 ZINC000009805314 555517012 /nfs/dbraw/zinc/51/70/12/555517012.db2.gz XEYRDMSNBWBNCK-QHCPKHFHSA-N 0 0 461.562 4.395 50 0 JIAARN CC(C)Oc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1 ZINC000019860505 555519742 /nfs/dbraw/zinc/51/97/42/555519742.db2.gz VOZWMRYXZTZUGF-SFHVURJKSA-N 0 0 450.988 4.308 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000009812367 555520121 /nfs/dbraw/zinc/52/01/21/555520121.db2.gz ZVSPABYMUHDSFT-IBGZPJMESA-N 0 0 470.635 4.436 50 0 JIAARN O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000019867546 555521741 /nfs/dbraw/zinc/52/17/41/555521741.db2.gz RQFVTXRVQRPPNA-UHFFFAOYSA-N 0 0 479.005 4.104 50 0 aggregator JIAARN COc1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc(Cl)c1OC ZINC000009817523 555522105 /nfs/dbraw/zinc/52/21/05/555522105.db2.gz PHUWIZKTEVDGIH-UHFFFAOYSA-N 0 0 496.947 4.391 50 0 JIAARN O=C(NCc1ccc(Cl)cc1)[C@H](Cc1ccccc1)NC(=O)N1CCn2c3ccccc3nc21 ZINC000013592256 555527260 /nfs/dbraw/zinc/52/72/60/555527260.db2.gz UTAQKDNIYZBTCL-QFIPXVFZSA-N 0 0 473.964 4.147 50 0 JIAARN CCCNC(=O)[C@@H](NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@H](C)CC ZINC000013593360 555528543 /nfs/dbraw/zinc/52/85/43/555528543.db2.gz HQTKJGYITDVCFF-QPPBQGQZSA-N 0 0 450.627 4.044 50 0 JIAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2C)c(=O)n3Cc2ccccc2)C1 ZINC000009830575 555530536 /nfs/dbraw/zinc/53/05/36/555530536.db2.gz BRFZWJOOGIWTNO-UHFFFAOYSA-N 0 0 479.989 4.129 50 0 JIAARN CCOc1ccc(CCNc2nc3cc(OC)c(OC)cc3c3nc(-c4cccnc4)nn32)cc1 ZINC000009831167 555532872 /nfs/dbraw/zinc/53/28/72/555532872.db2.gz RNDMGNUTOLMZDO-UHFFFAOYSA-N 0 0 470.533 4.410 50 0 JIAARN CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(OC)cc1 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COc1cc(C)c(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000019942816 555561221 /nfs/dbraw/zinc/56/12/21/555561221.db2.gz DMZRBEYZLCWAIK-UHFFFAOYSA-N 0 0 450.604 4.408 50 0 JIAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019942810 555561265 /nfs/dbraw/zinc/56/12/65/555561265.db2.gz UCNRZVFUVFNSFX-UHFFFAOYSA-N 0 0 456.995 4.445 50 0 JIAARN O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)Nc1ccc(OCCc2ccccc2)cc1 ZINC000009907245 555564209 /nfs/dbraw/zinc/56/42/09/555564209.db2.gz BTSSWZYMBLRSNQ-UHFFFAOYSA-N 0 0 472.589 4.161 50 0 JIAARN CC(C)CCn1c2nnc(CCCC(=O)NCc3ccccc3Cl)n2c2ccsc2c1=O ZINC000009971182 555568903 /nfs/dbraw/zinc/56/89/03/555568903.db2.gz PNIFQUQICMCAHK-UHFFFAOYSA-N 0 0 472.014 4.444 50 0 JIAARN CC[C@H](Nc1ncnc2sc(C(=O)N3CCN(CCOC)CC3)c(C)c21)c1cccs1 ZINC000019954260 555570269 /nfs/dbraw/zinc/57/02/69/555570269.db2.gz XIXVVVBTNSJZDU-INIZCTEOSA-N 0 0 459.641 4.029 50 0 JIAARN Cc1ccn2cc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3OCC(F)(F)F)nc2c1 ZINC000020006664 555581404 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4.329 50 0 JIAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccco1 ZINC000010027799 555599946 /nfs/dbraw/zinc/59/99/46/555599946.db2.gz DGHNXTNDALCTSA-QFIPXVFZSA-N 0 0 469.545 4.244 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1nnc(C)n1C1CC1)CC2 ZINC000010028461 555600221 /nfs/dbraw/zinc/60/02/21/555600221.db2.gz UJRRPNSYRDIIDU-XMMPIXPASA-N 0 0 464.591 4.205 50 0 JIAARN O=C(CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3)NC1CCCCC1 ZINC000010030719 555601098 /nfs/dbraw/zinc/60/10/98/555601098.db2.gz RZRVFPJUWYRAEI-MRXNPFEDSA-N 0 0 461.653 4.057 50 0 JIAARN CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCc4cc(OC)c(OC)cc4C3)c12 ZINC000013728893 555602153 /nfs/dbraw/zinc/60/21/53/555602153.db2.gz FYEJNLAEVHFKDI-UHFFFAOYSA-N 0 0 465.546 4.425 50 0 biogenic JIAARN C[C@H](NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)c1cc2ccccc2o1 ZINC000010035852 555602989 /nfs/dbraw/zinc/60/29/89/555602989.db2.gz MYCTVSGLWLJRBE-KRWDZBQOSA-N 0 0 473.620 4.362 50 0 JIAARN CC(C)CNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(Cl)cc1Cl ZINC000010037768 555604014 /nfs/dbraw/zinc/60/40/14/555604014.db2.gz ZMJMOONXDQWILI-UHFFFAOYSA-N 0 0 488.412 4.029 50 0 JIAARN CCOc1ccc(OCc2ccc(-c3n[nH]c(=S)n3CCCN3CCOCC3)cc2)cc1 ZINC000020028620 555604214 /nfs/dbraw/zinc/60/42/14/555604214.db2.gz IAWBELAMRMZEBX-UHFFFAOYSA-N 0 0 454.596 4.308 50 0 JIAARN Cc1oc2cc3oc(=O)c(CC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)c(C)c3cc2c1-c1ccccc1 ZINC000013735481 555605709 /nfs/dbraw/zinc/60/57/09/555605709.db2.gz LRTPXSUYUVSXSX-GOSISDBHSA-N 0 0 479.554 4.011 50 0 JIAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1 ZINC000013749268 555608028 /nfs/dbraw/zinc/60/80/28/555608028.db2.gz NQVKGELVWMIWSG-HAHDFKILSA-N 0 0 495.539 4.366 50 0 JIAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000010059748 555610540 /nfs/dbraw/zinc/61/05/40/555610540.db2.gz LNYSBSPRHXZMIQ-UHFFFAOYSA-N 0 0 493.994 4.073 50 0 JIAARN CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1N1CCOCC1 ZINC000010059850 555611151 /nfs/dbraw/zinc/61/11/51/555611151.db2.gz YCQLMTYRHUPTGW-CQSZACIVSA-N 0 0 467.349 4.413 50 0 JIAARN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC ZINC000010059997 555611738 /nfs/dbraw/zinc/61/17/38/555611738.db2.gz AVZJQUOWUOPMAC-OAHLLOKOSA-N 0 0 490.965 4.455 50 0 JIAARN COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000013758697 555611922 /nfs/dbraw/zinc/61/19/22/555611922.db2.gz WOZGKYCPGVXNOE-YCRPNKLZSA-N 0 0 455.894 4.188 50 0 JIAARN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1ccc(N2CCOCC2)cc1 ZINC000010060236 555612343 /nfs/dbraw/zinc/61/23/43/555612343.db2.gz DIEYJJGDJLZXAW-UHFFFAOYSA-N 0 0 464.378 4.346 50 0 JIAARN CCN(CC)c1ccc(-c2nnc(SCC(=O)N3CCO[C@@H](C)C3)n2-c2ccccc2)cc1 ZINC000010073005 555614851 /nfs/dbraw/zinc/61/48/51/555614851.db2.gz KKLLUEADDFMDPX-IBGZPJMESA-N 0 0 465.623 4.120 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Br)cc2)cc1 ZINC000010077938 555615756 /nfs/dbraw/zinc/61/57/56/555615756.db2.gz VELZMQPARIUWIL-UHFFFAOYSA-N 0 0 491.363 4.276 50 0 JIAARN CCN(C(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1-c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000010087487 555617364 /nfs/dbraw/zinc/61/73/64/555617364.db2.gz PNRPWTGOEIIQTA-ICSRJNTNSA-N 0 0 499.658 4.064 50 0 JIAARN Cc1cc(C(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000010109308 555618794 /nfs/dbraw/zinc/61/87/94/555618794.db2.gz XBJLSLKOBXQNST-LJQANCHMSA-N 0 0 495.626 4.094 50 0 JIAARN CCOc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)cc1 ZINC000010109533 555619304 /nfs/dbraw/zinc/61/93/04/555619304.db2.gz BTLZRIIUPOMJGI-CUBQBAPOSA-N 0 0 471.557 4.369 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccs4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000013788032 555619831 /nfs/dbraw/zinc/61/98/31/555619831.db2.gz ICJATUHUJPNYOZ-KIHHCIJBSA-N 0 0 498.560 4.323 50 0 JIAARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccc(Cc4ccccc4)cc3)cs2)C1 ZINC000013790310 555620115 /nfs/dbraw/zinc/62/01/15/555620115.db2.gz VJXGGNDJORVCEA-HXUWFJFHSA-N 0 0 455.605 4.011 50 0 JIAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1OC ZINC000013811044 555626817 /nfs/dbraw/zinc/62/68/17/555626817.db2.gz IDSGBPNADCNRLW-IMSXRSKXSA-N 0 0 494.931 4.417 50 0 JIAARN COc1ccc(CCn2c3c(c(=O)[nH]c2=S)CN([C@H](C)c2ccccc2)CN3)cc1OC ZINC000020070527 555627305 /nfs/dbraw/zinc/62/73/05/555627305.db2.gz YNVRPQBSFZWGHF-MRXNPFEDSA-N 0 0 452.580 4.112 50 0 JIAARN Cc1c(NC=C2c3ccccc3C(=O)N(c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000013816063 555629286 /nfs/dbraw/zinc/62/92/86/555629286.db2.gz JUTUNRSYAJVTND-QJOMJCCJSA-N 0 0 450.498 4.124 50 0 JIAARN O=C(c1ccccc1)N1CCN([C@H]2c3cccc4cccc(c34)[C@H]2NS(=O)(=O)c2ccccc2)CC1 ZINC000020081889 555630465 /nfs/dbraw/zinc/63/04/65/555630465.db2.gz WEEORUMVUCILNS-IZLXSDGUSA-N 0 0 497.620 4.372 50 0 aggregator JIAARN CCCCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 ZINC000010119466 555631006 /nfs/dbraw/zinc/63/10/06/555631006.db2.gz JEIPXFYXLFINGG-UHFFFAOYSA-N 0 0 451.386 4.121 50 0 JIAARN COc1cc([C@H]2c3cn(-c4ccccc4)nc3N=C3COC(=O)C32)cc(Br)c1OC ZINC000020086848 555631573 /nfs/dbraw/zinc/63/15/73/555631573.db2.gz XASUOZZVINAFPI-SFHVURJKSA-N 0 0 468.307 4.020 50 0 JIAARN CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2ccc(C)cc2)c2c(c1=O)CCCC2 ZINC000020095494 555631878 /nfs/dbraw/zinc/63/18/78/555631878.db2.gz RVKLZQDPILMGBY-QFIPXVFZSA-N 0 0 459.546 4.459 50 0 JIAARN CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2ccc(C)cc2)c2c(c1=O)CCCC2 ZINC000020095496 555631895 /nfs/dbraw/zinc/63/18/95/555631895.db2.gz RVKLZQDPILMGBY-JOCHJYFZSA-N 0 0 459.546 4.459 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1S(=O)(=O)N(C)C ZINC000013844607 555633473 /nfs/dbraw/zinc/63/34/73/555633473.db2.gz YWSJUEPRYFZNGO-UHFFFAOYSA-N 0 0 472.950 4.082 50 0 JIAARN CCOC(=O)[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl ZINC000010133706 555635803 /nfs/dbraw/zinc/63/58/03/555635803.db2.gz ICTUUSGHPRVFPO-FQEVSTJZSA-N 0 0 485.993 4.075 50 0 JIAARN Cc1cc(C)cc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@H]5CC=C(C)C[C@@H]5C4=O)c3)CC2=O)c1 ZINC000013857066 555635798 /nfs/dbraw/zinc/63/57/98/555635798.db2.gz AISATLWKGBHDIZ-IGKWTDBASA-N 0 0 472.541 4.108 50 0 JIAARN CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccccn2)c2nc3cc(OC)ccc3s2)c1 ZINC000010187602 555643599 /nfs/dbraw/zinc/64/35/99/555643599.db2.gz YONKCFKNSRGHRT-UHFFFAOYSA-N 0 0 467.572 4.341 50 0 JIAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 ZINC000010187636 555643857 /nfs/dbraw/zinc/64/38/57/555643857.db2.gz AXDHTESEJJGKGN-UHFFFAOYSA-N 0 0 496.589 4.462 50 0 JIAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nnc(N2CCCCC2)n1-c1ccc(C)cc1 ZINC000010195144 555645412 /nfs/dbraw/zinc/64/54/12/555645412.db2.gz XNWBOICKAWPYIH-UHFFFAOYSA-N 0 0 493.633 4.436 50 0 JIAARN O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000010213707 555647386 /nfs/dbraw/zinc/64/73/86/555647386.db2.gz NOUINSIQYHSJEM-GOSISDBHSA-N 0 0 461.543 4.279 50 0 JIAARN Cc1cc2nc(N(CCN(C)C)C(=O)CCCS(=O)(=O)c3ccc(F)cc3)sc2c(C)c1 ZINC000010218845 555651732 /nfs/dbraw/zinc/65/17/32/555651732.db2.gz DELHZGZHDOHATO-UHFFFAOYSA-N 0 0 477.627 4.201 50 0 JIAARN COc1ccc(-c2nc(NC(=O)CC3(CC(=O)N4CCOCC4)CCCC3)sc2C)cc1 ZINC000010219810 555653037 /nfs/dbraw/zinc/65/30/37/555653037.db2.gz NVNLUCPPVRMSPY-UHFFFAOYSA-N 0 0 457.596 4.265 50 0 JIAARN COc1cc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)sc2cc1OC ZINC000010220652 555653873 /nfs/dbraw/zinc/65/38/73/555653873.db2.gz NZCUZDPYIBFISJ-UHFFFAOYSA-N 0 0 475.592 4.129 50 0 JIAARN CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000010220706 555654223 /nfs/dbraw/zinc/65/42/23/555654223.db2.gz BWPAIEXFJXFOHJ-UHFFFAOYSA-N 0 0 472.910 4.056 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 ZINC000013944886 555657287 /nfs/dbraw/zinc/65/72/87/555657287.db2.gz ZWANDZOKRLZKCV-HNNXBMFYSA-N 0 0 458.331 4.408 50 0 JIAARN CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1 ZINC000010236001 555659127 /nfs/dbraw/zinc/65/91/27/555659127.db2.gz AXICBLBUEPIPCE-UHFFFAOYSA-N 0 0 478.039 4.061 50 0 JIAARN CNS(=O)(=O)c1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc(C)c1C ZINC000010235784 555659171 /nfs/dbraw/zinc/65/91/71/555659171.db2.gz DTUPNZNSAFTIHB-UHFFFAOYSA-N 0 0 478.039 4.494 50 0 JIAARN Cc1cc2nc(N(Cc3ccccn3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2cc1C ZINC000010252958 555661370 /nfs/dbraw/zinc/66/13/70/555661370.db2.gz BSYDTXCJHPXYSI-UHFFFAOYSA-N 0 0 465.600 4.488 50 0 JIAARN Cc1nn(C)c2nc(C3CC3)cc(C3N=NC(=S)N3c3cnn(Cc4ccc(F)cc4)c3)c12 ZINC000013960934 555665221 /nfs/dbraw/zinc/66/52/21/555665221.db2.gz SXPZFEITCUCCQR-UHFFFAOYSA-N 0 0 460.542 4.074 50 0 JIAARN O=S(=O)(c1nnn2c3ccsc3c(NCCc3ccccc3)nc12)c1cccc(Cl)c1 ZINC000010272516 555666506 /nfs/dbraw/zinc/66/65/06/555666506.db2.gz BJGYULKADHPKAQ-UHFFFAOYSA-N 0 0 469.979 4.480 50 0 JIAARN Cc1ccc(C)c(NC(=O)CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(F)c(F)c3)C2=O)c1 ZINC000010272468 555666534 /nfs/dbraw/zinc/66/65/34/555666534.db2.gz LCYFUHAGYKGPQF-SANMLTNESA-N 0 0 493.535 4.500 50 0 JIAARN Cc1ccc(N2C(=O)CS(=O)(=O)[C@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1C ZINC000010273785 555668918 /nfs/dbraw/zinc/66/89/18/555668918.db2.gz HEQGQIDZPGGGET-VWLOTQADSA-N 0 0 480.973 4.118 50 0 JIAARN CC[C@H]1CCCCN1C(=O)CN1c2ccccc2S(=O)(=O)N(c2c(C)cccc2C)C1=O ZINC000010273808 555669107 /nfs/dbraw/zinc/66/91/07/555669107.db2.gz ROTGKQZAGMKWRE-IBGZPJMESA-N 0 0 455.580 4.230 50 0 JIAARN O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000010276667 555671203 /nfs/dbraw/zinc/67/12/03/555671203.db2.gz MXIRSHWRTMSIBG-UHFFFAOYSA-N 0 0 450.545 4.142 50 0 JIAARN COc1cc2c(cc1OC)n(CC(=O)c1ccc(Cl)cc1)c(=O)n(-c1ccc(C)cc1)c2=O ZINC000020153167 555671836 /nfs/dbraw/zinc/67/18/36/555671836.db2.gz HACIGKAVQUCUMQ-UHFFFAOYSA-N 0 0 464.905 4.014 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)COC(=O)Cc1cccc2cccnc21 ZINC000014019798 555672329 /nfs/dbraw/zinc/67/23/29/555672329.db2.gz XQFVDNNHZLGDCT-UHFFFAOYSA-N 0 0 493.869 4.090 50 0 JIAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cnn(-c3ccccc3)c2)c1 ZINC000014021957 555673339 /nfs/dbraw/zinc/67/33/39/555673339.db2.gz XWSJTOYWULRDNT-UHFFFAOYSA-N 0 0 498.967 4.420 50 0 JIAARN CCOC(=O)c1sc(NC(=S)Nc2ccc(Br)cn2)c(C(=O)OCC)c1C ZINC000020168138 555678584 /nfs/dbraw/zinc/67/85/84/555678584.db2.gz CKFWDPTYEFLZMY-UHFFFAOYSA-N 0 0 472.386 4.376 50 0 JIAARN CCOC(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 ZINC000020168997 555679704 /nfs/dbraw/zinc/67/97/04/555679704.db2.gz DOPZPWKHDVKLFH-UHFFFAOYSA-N 0 0 481.599 4.424 50 0 JIAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)c(C)c1C ZINC000014092996 555685641 /nfs/dbraw/zinc/68/56/41/555685641.db2.gz QHWRSSJUZVEJIR-UHFFFAOYSA-N 0 0 465.619 4.166 50 0 JIAARN CN1C(=O)/C(=C/c2ccccc2F)Sc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc21 ZINC000020179909 555685752 /nfs/dbraw/zinc/68/57/52/555685752.db2.gz RZHKPZPXRJXLMJ-QJOMJCCJSA-N 0 0 474.561 4.293 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2)cc1 ZINC000014094406 555686855 /nfs/dbraw/zinc/68/68/55/555686855.db2.gz HMUYQLVHQTWEQS-UHFFFAOYSA-N 0 0 450.560 4.348 50 0 JIAARN O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NC[C@H]1COc2ccccc2O1 ZINC000020180692 555687003 /nfs/dbraw/zinc/68/70/03/555687003.db2.gz XWQGHIHTDYACKT-BBMHEYIBSA-N 0 0 476.916 4.063 50 0 JIAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000014118106 555693319 /nfs/dbraw/zinc/69/33/19/555693319.db2.gz RJAQXPCRACIFTL-UHFFFAOYSA-N 0 0 450.520 4.130 50 0 JIAARN COc1ccc([C@H]2NC(=S)N(c3ccccc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1OC ZINC000010353066 555694813 /nfs/dbraw/zinc/69/48/13/555694813.db2.gz OQFVVMLJYOGSGM-JOCHJYFZSA-N 0 0 464.547 4.349 50 0 JIAARN COc1ccccc1[C@H]1NC(=S)N(c2ccccc2OC)C(C)=C1C(=O)Nc1cc(C)on1 ZINC000010355049 555694957 /nfs/dbraw/zinc/69/49/57/555694957.db2.gz YSOFIIGWUKQTFJ-JOCHJYFZSA-N 0 0 464.547 4.349 50 0 JIAARN CCOc1cc([C@@H]2NC(=S)N(c3ccccc3OC)C(C)=C2C(=O)Nc2cc(C)on2)ccc1O ZINC000010355132 555695257 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CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 ZINC000022068482 555869609 /nfs/dbraw/zinc/86/96/09/555869609.db2.gz OOLRQDMTTYTJOW-UHFFFAOYSA-N 0 0 470.566 4.163 50 0 JIAARN O=S1(=O)CC[C@H](NCc2cc3cc4c(cc3nc2OCc2ccccc2Cl)CCC4)C1 ZINC000015070217 555869767 /nfs/dbraw/zinc/86/97/67/555869767.db2.gz ZUGSPWYHCUQYPS-NRFANRHFSA-N 0 0 456.995 4.233 50 0 JIAARN CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)NCc3cccc(C)n3)c21 ZINC000011963107 555870043 /nfs/dbraw/zinc/87/00/43/555870043.db2.gz JMEKUFWYAPESED-UHFFFAOYSA-N 0 0 457.534 4.324 50 0 JIAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1 ZINC000011965893 555871990 /nfs/dbraw/zinc/87/19/90/555871990.db2.gz CKQZECOFKACYGI-UHFFFAOYSA-N 0 0 458.609 4.178 50 0 JIAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(CCc2ccc(OC(F)F)cc2)C1=O)c1cc2ccccc2o1 ZINC000022080655 555872167 /nfs/dbraw/zinc/87/21/67/555872167.db2.gz XDXZIMQIKDOXEA-BZQUYTCOSA-N 0 0 485.487 4.155 50 0 JIAARN COc1cccc(CN(C(=O)CSc2nc(C)cc(N)n2)C23CC4CC(CC(C4)C2)C3)c1 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/nfs/dbraw/zinc/87/87/26/555878726.db2.gz MFYWGZAGJWRBSY-QGZVFWFLSA-N 0 0 459.955 4.132 50 0 JIAARN COc1ccccc1CC(=O)N1CCC([C@H](Cc2ccccc2)N(C)C(=O)c2ccccn2)CC1 ZINC000011998234 555880634 /nfs/dbraw/zinc/88/06/34/555880634.db2.gz WMBYJHUBEKOVNV-SANMLTNESA-N 0 0 471.601 4.255 50 0 JIAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000015153490 555880750 /nfs/dbraw/zinc/88/07/50/555880750.db2.gz LHCIRGBMNSIHTM-CQSZACIVSA-N 0 0 485.389 4.352 50 0 JIAARN COc1ccc(C[C@@]2(CCC(=O)N(C)C[C@@H]3Cc4ccccc4O3)CCC(=O)N2)c2ccccc12 ZINC000011998042 555880787 /nfs/dbraw/zinc/88/07/87/555880787.db2.gz QMWNSCMNHYIVAN-ZTOMLWHTSA-N 0 0 472.585 4.282 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ccccc43)CC2)cc1 ZINC000015172796 555881848 /nfs/dbraw/zinc/88/18/48/555881848.db2.gz IYZINLHNJNVMDE-UHFFFAOYSA-N 0 0 478.599 4.072 50 0 JIAARN CCOC(=O)C[C@H]1CCCCN1C(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 ZINC000011999880 555882103 /nfs/dbraw/zinc/88/21/03/555882103.db2.gz MWOMXASUZDGXBP-KCWPFWIISA-N 0 0 450.579 4.146 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 ZINC000015179938 555882101 /nfs/dbraw/zinc/88/21/01/555882101.db2.gz QUPJGLYCUOQRNG-OAHLLOKOSA-N 0 0 461.609 4.019 50 0 JIAARN CCOC(=O)C[C@@H]1CCCCN1C(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 ZINC000011999877 555882189 /nfs/dbraw/zinc/88/21/89/555882189.db2.gz MWOMXASUZDGXBP-HOFKKMOUSA-N 0 0 450.579 4.146 50 0 JIAARN Cc1sc2nc(CSc3nc(CN4CCOCC4)nc4sc(C)c(C)c43)[nH]c(=O)c2c1C ZINC000022186788 555882858 /nfs/dbraw/zinc/88/28/58/555882858.db2.gz VHMJGAXVIZNYEY-UHFFFAOYSA-N 0 0 487.676 4.347 50 0 JIAARN Cc1sc2nc(CS[C@H](C)C(=O)N[C@H](c3nccn3C)c3ccc(F)cc3)[nH]c(=O)c2c1C ZINC000022195635 555883818 /nfs/dbraw/zinc/88/38/18/555883818.db2.gz NFBQEKXTDCSYNI-KUHUBIRLSA-N 0 0 485.610 4.002 50 0 JIAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3cccc(-c4nnnn4C4CC4)c3)nc2n1 ZINC000022226506 555885930 /nfs/dbraw/zinc/88/59/30/555885930.db2.gz KEAVHHRRTUOHED-UHFFFAOYSA-N 0 0 497.588 4.274 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)Cc4ccc(OC)c(OC)c4)ccc32)cc1 ZINC000012033866 555888001 /nfs/dbraw/zinc/88/80/01/555888001.db2.gz BEUCGPSVSXOJNA-UHFFFAOYSA-N 0 0 496.585 4.035 50 0 JIAARN COc1cc(CNC(=O)CC[C@@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)cc(OC)c1OC ZINC000012035435 555888811 /nfs/dbraw/zinc/88/88/11/555888811.db2.gz LYPOXLHAFZHVCN-NDEPHWFRSA-N 0 0 476.573 4.154 50 0 JIAARN O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[C@@H](O)COc1cccc2ccccc21 ZINC000015238316 555890045 /nfs/dbraw/zinc/89/00/45/555890045.db2.gz QYDXQXUKOSBYIL-FUFSCUOVSA-N 0 0 466.537 4.270 50 0 JIAARN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000015303843 555894010 /nfs/dbraw/zinc/89/40/10/555894010.db2.gz XKAFISDWCOPXDV-JLHYYAGUSA-N 0 0 453.391 4.322 50 0 JIAARN O=C(CN1CCN(C(=O)C2CC2)CC1)N(Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000015304511 555894347 /nfs/dbraw/zinc/89/43/47/555894347.db2.gz PJGHRNRSDCEDJN-UHFFFAOYSA-N 0 0 470.057 4.192 50 0 JIAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2CCc2cccs2)cc1 ZINC000015320179 555897628 /nfs/dbraw/zinc/89/76/28/555897628.db2.gz HMRCQWXPUAFCSU-OAQYLSRUSA-N 0 0 467.522 4.305 50 0 JIAARN COc1ccc(C[C@@]2(CCC(=O)N3CCCC[C@H]3c3nc4ccccc4[nH]3)CCC(=O)N2)cc1 ZINC000012054904 555897851 /nfs/dbraw/zinc/89/78/51/555897851.db2.gz SJKLFFBUIZVFNU-HOFKKMOUSA-N 0 0 460.578 4.297 50 0 JIAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)c3ccccc3)cc1)C[C@H](C)CC2 ZINC000012064281 555900863 /nfs/dbraw/zinc/90/08/63/555900863.db2.gz MOCREXGRODKQMD-MRXNPFEDSA-N 0 0 497.642 4.310 50 0 JIAARN Cc1cccc(NC(=O)COc2cccc3ccc(N4CCN(C(=O)c5ccco5)CC4)nc32)c1C ZINC000015390672 555902201 /nfs/dbraw/zinc/90/22/01/555902201.db2.gz LJXHNCKKLBJQNO-UHFFFAOYSA-N 0 0 484.556 4.425 50 0 JIAARN O=C(N[C@@H]1CCCc2ccccc21)C1CCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)CC1 ZINC000012097270 555904764 /nfs/dbraw/zinc/90/47/64/555904764.db2.gz SDIRVIQDVPHEBY-RUZDIDTESA-N 0 0 494.595 4.288 50 0 JIAARN O=C(CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N1CCN(c2ccccc2F)CC1 ZINC000012097595 555904795 /nfs/dbraw/zinc/90/47/95/555904795.db2.gz WTRQRACGNRHHMS-NDEPHWFRSA-N 0 0 459.565 4.299 50 0 JIAARN CCO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)c1ccccc1)CC2 ZINC000012099072 555906322 /nfs/dbraw/zinc/90/63/22/555906322.db2.gz AUDWKOMKCBOYBR-RPBOFIJWSA-N 0 0 455.558 4.145 50 0 JIAARN COc1cc(C(=O)NCCCN2CCCC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000015421338 555908153 /nfs/dbraw/zinc/90/81/53/555908153.db2.gz ASMMUAMPRJWCFI-UHFFFAOYSA-N 0 0 451.350 4.323 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)c1nn(-c3ccc(CC)cc3)ccc1=O)CCCC2 ZINC000012111627 555908383 /nfs/dbraw/zinc/90/83/83/555908383.db2.gz RCCURDGFDIPINA-UHFFFAOYSA-N 0 0 451.548 4.164 50 0 JIAARN COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1Cl ZINC000015433859 555908475 /nfs/dbraw/zinc/90/84/75/555908475.db2.gz OAOOBFBMYZYZEU-HZPDHXFCSA-N 0 0 481.014 4.300 50 0 JIAARN CCN(CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000015451350 555909872 /nfs/dbraw/zinc/90/98/72/555909872.db2.gz AOVWPNHJALEBBE-MRXNPFEDSA-N 0 0 452.986 4.155 50 0 JIAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000015544101 555914203 /nfs/dbraw/zinc/91/42/03/555914203.db2.gz OZMPAUIDOGJRLQ-UHFFFAOYSA-N 0 0 477.329 4.216 50 0 JIAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc3c(c2)OCCO3)c1 ZINC000015557406 555915452 /nfs/dbraw/zinc/91/54/52/555915452.db2.gz YHHKNQMYRWFAAX-UHFFFAOYSA-N 0 0 490.940 4.005 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(NC(=O)C(C)(C)C)s1)CCCC2 ZINC000012139836 555916158 /nfs/dbraw/zinc/91/61/58/555916158.db2.gz WEAWFGVLDUCICT-UHFFFAOYSA-N 0 0 482.653 4.371 50 0 JIAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccc5c(c4)OCO5)cs3)cc2)CC1 ZINC000012140080 555916682 /nfs/dbraw/zinc/91/66/82/555916682.db2.gz CCCQPBGHETYKRS-UHFFFAOYSA-N 0 0 485.587 4.212 50 0 JIAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000012140083 555916690 /nfs/dbraw/zinc/91/66/90/555916690.db2.gz BMWSESKNJMHCMJ-HNNXBMFYSA-N 0 0 485.587 4.354 50 0 JIAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 ZINC000015601935 555918049 /nfs/dbraw/zinc/91/80/49/555918049.db2.gz ASOCJAFUROYCSE-UHFFFAOYSA-N 0 0 494.613 4.377 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2cc(C)cc(C)c2)SCC3)cc1 ZINC000012140559 555918165 /nfs/dbraw/zinc/91/81/65/555918165.db2.gz COKGGTSJFLEZMG-UHFFFAOYSA-N 0 0 481.599 4.015 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)CSc2nc3c(c(=O)n2-c2cc(C)cc(C)c2)SCC3)c1 ZINC000012140561 555918181 /nfs/dbraw/zinc/91/81/81/555918181.db2.gz HBLBNDGFTOIMSI-UHFFFAOYSA-N 0 0 480.615 4.187 50 0 JIAARN C[C@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1nc2ccccc2n1C(F)F ZINC000015612611 555919231 /nfs/dbraw/zinc/91/92/31/555919231.db2.gz AROANSMLWWKLHZ-GJZGRUSLSA-N 0 0 481.496 4.276 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000015616372 555919351 /nfs/dbraw/zinc/91/93/51/555919351.db2.gz TYXLDRBSFIBFAE-UHFFFAOYSA-N 0 0 451.523 4.389 50 0 JIAARN C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@H](C)O)C(=O)Nc1cccc(Cl)c1 ZINC000022329285 555922279 /nfs/dbraw/zinc/92/22/79/555922279.db2.gz SHLYUKUWKSEJDK-NWDGAFQWSA-N 0 0 452.363 4.203 50 0 JIAARN O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000022358467 555925415 /nfs/dbraw/zinc/92/54/15/555925415.db2.gz DFVSLVNYKHYKQF-UHFFFAOYSA-N 0 0 462.550 4.465 50 0 JIAARN C[C@H]1CCN(C(=O)CSc2nc(CN3CCOCC3)nc3ccccc32)c2ccccc2S1 ZINC000022358687 555925535 /nfs/dbraw/zinc/92/55/35/555925535.db2.gz OROQZPMNNPZFRZ-SFHVURJKSA-N 0 0 480.659 4.472 50 0 JIAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)cc1OC ZINC000015670306 555925726 /nfs/dbraw/zinc/92/57/26/555925726.db2.gz IMKTYWKBZNTCIV-IBGZPJMESA-N 0 0 470.533 4.304 50 0 JIAARN CCOc1ccc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)cc1 ZINC000012152336 555926006 /nfs/dbraw/zinc/92/60/06/555926006.db2.gz RUGIWSAJGIRKSC-QFIPXVFZSA-N 0 0 453.612 4.175 50 0 JIAARN CC(=O)Cc1nsc(NC(=O)c2nnn(-c3ccc4noc(-c5ccc(Cl)cc5)c4c3)c2C)n1 ZINC000015671394 555928822 /nfs/dbraw/zinc/92/88/22/555928822.db2.gz SHXWZDSWMJRVIT-UHFFFAOYSA-N 0 0 493.936 4.273 50 0 JIAARN Cc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)C2 ZINC000012160337 555930571 /nfs/dbraw/zinc/93/05/71/555930571.db2.gz GVXREBBOUDOXJX-QGZVFWFLSA-N 0 0 484.021 4.316 50 0 JIAARN COc1ccc(OC)c(CC(=O)N2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000012161312 555930794 /nfs/dbraw/zinc/93/07/94/555930794.db2.gz GQMVFOVPVZRYEJ-GCJKJVERSA-N 0 0 490.522 4.305 50 0 JIAARN Cc1csc([C@H](C)N(C)C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C)C2=O)n1 ZINC000012166341 555933067 /nfs/dbraw/zinc/93/30/67/555933067.db2.gz PZNNIUGLAXEYHA-QYBDOPJKSA-N 0 0 461.587 4.355 50 0 JIAARN Cc1csc([C@H](C)N(C)C(=O)C[C@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C)C2=O)n1 ZINC000012166351 555933185 /nfs/dbraw/zinc/93/31/85/555933185.db2.gz PZNNIUGLAXEYHA-HFJWLAOPSA-N 0 0 461.587 4.355 50 0 JIAARN COc1ccc(-c2cc(C)cc3c2O[C@H](CNC(=O)[C@@H]2CCCc4c5ccccc5[nH]c42)C3)nn1 ZINC000012182524 555935450 /nfs/dbraw/zinc/93/54/50/555935450.db2.gz HBHQJMHSZDFYSB-GHTZIAJQSA-N 0 0 468.557 4.482 50 0 JIAARN COc1ccc(N2C(=O)c3cc(C4CC4)nn3C[C@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000015676637 555938785 /nfs/dbraw/zinc/93/87/85/555938785.db2.gz OVKILTITNSCEET-AREMUKBSSA-N 0 0 450.583 4.417 50 0 JIAARN CCCN1C(=O)c2cc(-c3ccc(OC)cc3)nn2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015676772 555939856 /nfs/dbraw/zinc/93/98/56/555939856.db2.gz YOTQCCUDTJLSQM-SANMLTNESA-N 0 0 452.599 4.412 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3cccc(NC(=O)C4=C(C)OCCS4)c3)C[C@@H]2C)c1 ZINC000015678156 555942780 /nfs/dbraw/zinc/94/27/80/555942780.db2.gz INGADFMRHWGRCC-SFHVURJKSA-N 0 0 451.592 4.279 50 0 JIAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1C[C@@H]1CCCO1 ZINC000015678210 555942983 /nfs/dbraw/zinc/94/29/83/555942983.db2.gz FCRWUMBEBBCEQA-FNZWTVRRSA-N 0 0 453.583 4.371 50 0 JIAARN CO[C@H](C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cc3ccccc3o1)C2)c1ccccc1 ZINC000012243125 555946386 /nfs/dbraw/zinc/94/63/86/555946386.db2.gz GVRBRVIPNZIYSQ-SANMLTNESA-N 0 0 469.541 4.339 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)CN2c3cc(Cl)ccc3Oc3ncccc3C2=O)c1 ZINC000015679982 555946811 /nfs/dbraw/zinc/94/68/11/555946811.db2.gz SDZLFSKRFNPKDH-UHFFFAOYSA-N 0 0 451.866 4.303 50 0 JIAARN O=C(N[C@H](c1cccs1)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012269614 555947548 /nfs/dbraw/zinc/94/75/48/555947548.db2.gz KLMPWEHDSIXGBA-QFIPXVFZSA-N 0 0 476.570 4.333 50 0 JIAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2F)c2ccccc21)N1CCc2ccccc2C1 ZINC000015680835 555949203 /nfs/dbraw/zinc/94/92/03/555949203.db2.gz VHYVRYRGLOTEJV-UHFFFAOYSA-N 0 0 462.546 4.339 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1-n1cccc1 ZINC000012342323 555954887 /nfs/dbraw/zinc/95/48/87/555954887.db2.gz GKDAPMDTGAUOQR-UHFFFAOYSA-N 0 0 461.547 4.274 50 0 JIAARN O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1ccc(Br)cc1 ZINC000012360176 555956832 /nfs/dbraw/zinc/95/68/32/555956832.db2.gz OKPNFQBZCFTNGM-UHFFFAOYSA-N 0 0 468.351 4.029 50 0 biogenic,in-vitro JIAARN CC1CCN(S(=O)(=O)c2ccc3c(ccn3CCC(=O)NCCC3=CCCCC3)c2)CC1 ZINC000015722440 555957414 /nfs/dbraw/zinc/95/74/14/555957414.db2.gz ZLRXDSVTCMIBOV-UHFFFAOYSA-N 0 0 457.640 4.459 50 0 JIAARN COc1ccc(OC)c([C@H]2c3cccn3CCN2S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000012361761 555958366 /nfs/dbraw/zinc/95/83/66/555958366.db2.gz GRDPRRAZRSNYFH-NRFANRHFSA-N 0 0 466.481 4.318 50 0 JIAARN COc1ccc(CNC(=O)CN2C(=O)c3c(c4ccccc4n3C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000015725581 555962732 /nfs/dbraw/zinc/96/27/32/555962732.db2.gz LTAXNRYDPMWIAE-SANMLTNESA-N 0 0 469.541 4.057 50 0 JIAARN CCc1ccccc1NC(=O)[C@H]1CCCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726155 555963373 /nfs/dbraw/zinc/96/33/73/555963373.db2.gz CNDNMKUGVDBSTM-IBGZPJMESA-N 0 0 450.539 4.167 50 0 JIAARN Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)N(c2ccc(C)c(Cl)c2)C(=O)CS3(=O)=O)c1 ZINC000015728289 555968295 /nfs/dbraw/zinc/96/82/95/555968295.db2.gz OBORRTLKQXLQKK-AREMUKBSSA-N 0 0 495.000 4.426 50 0 JIAARN CC(=O)c1cccc(NC(=O)C(=Cc2cccnc2)NC(=O)c2cccc(Br)c2)c1 ZINC000012380225 555968633 /nfs/dbraw/zinc/96/86/33/555968633.db2.gz XVSGLAFJILNTGZ-NHDPSOOVSA-N 0 0 464.319 4.456 50 0 JIAARN C[C@@H](C(=O)Nc1ccccc1C(=O)NC1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000012380910 555969327 /nfs/dbraw/zinc/96/93/27/555969327.db2.gz KUUUTAKSMKZRII-INIZCTEOSA-N 0 0 478.014 4.196 50 0 JIAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)N2CCCCCC2)C(C)C)cc1 ZINC000012381960 555970473 /nfs/dbraw/zinc/97/04/73/555970473.db2.gz ULQNLUPKKNRALY-QHCPKHFHSA-N 0 0 451.567 4.105 50 0 JIAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000012389612 555972580 /nfs/dbraw/zinc/97/25/80/555972580.db2.gz YKMMCVOTILFPJG-UHFFFAOYSA-N 0 0 455.961 4.409 50 0 JIAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2S1 ZINC000015730460 555972651 /nfs/dbraw/zinc/97/26/51/555972651.db2.gz FFUJPFIEFMSQRD-AWEZNQCLSA-N 0 0 485.553 4.039 50 0 JIAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2S1 ZINC000015730459 555972692 /nfs/dbraw/zinc/97/26/92/555972692.db2.gz FFUJPFIEFMSQRD-CQSZACIVSA-N 0 0 485.553 4.039 50 0 JIAARN CC1(C)Cc2c(sc3c2c(=O)n([C@H]2CCOC(C)(C)C2)c(=O)n3Cc2ccccc2)CO1 ZINC000012389948 555972985 /nfs/dbraw/zinc/97/29/85/555972985.db2.gz YWZGLHOLOIZPCW-KRWDZBQOSA-N 0 0 454.592 4.254 50 0 JIAARN COc1cc(Br)cc2cc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)c(=O)oc21 ZINC000012401881 555976020 /nfs/dbraw/zinc/97/60/20/555976020.db2.gz BEMDDOOHBKGAGS-ZDUSSCGKSA-N 0 0 468.307 4.241 50 0 JIAARN COc1cccc(N2CCN(S(=O)(=O)c3cc4[nH]c5c(c4cc3C)C(=O)CC(C)(C)C5)CC2)c1 ZINC000015733747 555978999 /nfs/dbraw/zinc/97/89/99/555978999.db2.gz APZZFDLVPTYVEO-UHFFFAOYSA-N 0 0 481.618 4.151 50 0 JIAARN Cc1cccc(N2CCN(C(=O)C3CCN(c4ccc(-c5cccs5)nn4)CC3)C[C@@H]2C)c1 ZINC000015734788 555980470 /nfs/dbraw/zinc/98/04/70/555980470.db2.gz OZVFHMUPSGRBCJ-FQEVSTJZSA-N 0 0 461.635 4.467 50 0 JIAARN Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(Br)c1 ZINC000015737970 555983687 /nfs/dbraw/zinc/98/36/87/555983687.db2.gz FGHUOERLFDOCHG-UHFFFAOYSA-N 0 0 451.386 4.493 50 0 JIAARN COc1cc(C)c(CN2CCN(Cn3nc(-c4ccc(C)cc4)n(C)c3=S)CC2)cc1OC ZINC000022933959 555986748 /nfs/dbraw/zinc/98/67/48/555986748.db2.gz OWBYLOKZHGIYJZ-UHFFFAOYSA-N 0 0 467.639 4.027 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000015768815 555987411 /nfs/dbraw/zinc/98/74/11/555987411.db2.gz WWQQVRCKANIJAT-UHFFFAOYSA-N 0 0 496.585 4.323 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 ZINC000015768850 555987446 /nfs/dbraw/zinc/98/74/46/555987446.db2.gz NJARWNUOHKVRBI-UHFFFAOYSA-N 0 0 466.559 4.314 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000015769180 555988081 /nfs/dbraw/zinc/98/80/81/555988081.db2.gz UBXNWZGVDGEZOD-UHFFFAOYSA-N 0 0 472.950 4.351 50 0 JIAARN CC(C)c1nn2c(nc(COC(=O)c3cccc(NC(=O)CSc4ccccc4)c3)cc2=O)s1 ZINC000015771544 555989942 /nfs/dbraw/zinc/98/99/42/555989942.db2.gz NBEIQSKQMGHNDG-UHFFFAOYSA-N 0 0 494.598 4.362 50 0 JIAARN CC(C)c1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3cccc(F)c3)cc2=O)s1 ZINC000015771592 555989954 /nfs/dbraw/zinc/98/99/54/555989954.db2.gz YASHBWOTPIUAMK-UHFFFAOYSA-N 0 0 466.494 4.023 50 0 JIAARN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(-c4nc5ccccc5n4C(F)F)cc3)cc2o1 ZINC000012506726 555991238 /nfs/dbraw/zinc/99/12/38/555991238.db2.gz DCRUYBUHRZGMCQ-UHFFFAOYSA-N 0 0 456.430 4.334 50 0 JIAARN Cc1csc2nc(COC(=O)c3cccc(NC(=O)c4cccc(Br)c4)c3)cc(=O)n12 ZINC000015772065 555991302 /nfs/dbraw/zinc/99/13/02/555991302.db2.gz SSEAOPWWEBIUPS-UHFFFAOYSA-N 0 0 498.358 4.436 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)c2)cc1 ZINC000012521131 555992402 /nfs/dbraw/zinc/99/24/02/555992402.db2.gz IEKFEWMZTYVFGC-HSZRJFAPSA-N 0 0 483.590 4.046 50 0 JIAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000022955153 555993509 /nfs/dbraw/zinc/99/35/09/555993509.db2.gz BWNMVTSGXJMFND-FQEVSTJZSA-N 0 0 480.392 4.152 50 0 JIAARN O=C(c1nc2ccccc2s1)N(CCCN1CCOCC1)c1nc2ccc(F)cc2s1 ZINC000022997707 555997349 /nfs/dbraw/zinc/99/73/49/555997349.db2.gz YPJOAJLDYZFMQE-UHFFFAOYSA-N 0 0 456.568 4.414 50 0 JIAARN CC(=O)c1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(ccc(C)c3C)s2)cc1 ZINC000022997928 555997659 /nfs/dbraw/zinc/99/76/59/555997659.db2.gz LRPIUMAAKCGODJ-UHFFFAOYSA-N 0 0 451.592 4.485 50 0 JIAARN CCn1c2c(nc(CCC(=O)NCc3cccc(Cl)c3)c1=O)c(C)nn2-c1ccc(C)cc1 ZINC000015780021 555998741 /nfs/dbraw/zinc/99/87/41/555998741.db2.gz AGGJFILOKSJQKD-UHFFFAOYSA-N 0 0 463.969 4.121 50 0 JIAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc(Br)cc2)c2cccs2)cc1 ZINC000015780889 555999516 /nfs/dbraw/zinc/99/95/16/555999516.db2.gz APZFDDDPJZJMMC-LJQANCHMSA-N 0 0 480.405 4.464 50 0 JIAARN CCOc1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(OC)cc2)cc1OCC ZINC000015780869 555999552 /nfs/dbraw/zinc/99/95/52/555999552.db2.gz DQZNKQWRIAYUSQ-HSZRJFAPSA-N 0 0 489.615 4.499 50 0 JIAARN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000015781355 556000462 /nfs/dbraw/zinc/00/04/62/556000462.db2.gz IYUGOZOCTVDXGH-UHFFFAOYSA-N 0 0 450.626 4.277 50 0 JIAARN COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc5c(c4)NC(=O)[C@H](C)S5)CC3)cs2)cc1 ZINC000023024863 556000494 /nfs/dbraw/zinc/00/04/94/556000494.db2.gz JRVYSAOYKDQFRW-INIZCTEOSA-N 0 0 494.642 4.209 50 0 JIAARN COc1ccccc1NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N21 ZINC000015783477 556001575 /nfs/dbraw/zinc/00/15/75/556001575.db2.gz ZVQKPFANJJFWDF-QFIPXVFZSA-N 0 0 456.527 4.398 50 0 JIAARN COCCn1c(-c2cccc(Oc3ccccc3)c2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000012531830 556001787 /nfs/dbraw/zinc/00/17/87/556001787.db2.gz YYDYZOXZTWRPCC-UHFFFAOYSA-N 0 0 468.513 4.040 50 0 JIAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cn1nc(Nc2cccc(OC)c2)sc1=S ZINC000012534753 556006947 /nfs/dbraw/zinc/00/69/47/556006947.db2.gz QQHFIOMLZULXQF-UHFFFAOYSA-N 0 0 487.607 4.116 50 0 JIAARN Cc1ccc(C(=O)N/C(=C\c2cccc(Oc3ccccc3)c2)C(=O)NCCN2CCOCC2)cc1 ZINC000015798842 556007092 /nfs/dbraw/zinc/00/70/92/556007092.db2.gz TULOTIJPEHETEA-MEFGMAGPSA-N 0 0 485.584 4.007 50 0 JIAARN Cc1nc(SCC(=O)Nc2ccc(I)cc2C)n(C[C@H]2CCCO2)c1C ZINC000012535281 556007876 /nfs/dbraw/zinc/00/78/76/556007876.db2.gz KUJQGJCWTSOTRM-MRXNPFEDSA-N 0 0 485.391 4.323 50 0 JIAARN O=C(CN1CCN(C(=O)c2cc(Cl)sc2Cl)CC1)Nc1ccccc1C(F)(F)F ZINC000015812291 556009373 /nfs/dbraw/zinc/00/93/73/556009373.db2.gz MJIZUTIPIBXTTG-UHFFFAOYSA-N 0 0 466.312 4.470 50 0 JIAARN Cc1cccc(-n2c(S[C@H](C)C(=O)NC(=O)NC(C)(C)C)nc3ccccc3c2=O)c1C ZINC000015817388 556009382 /nfs/dbraw/zinc/00/93/82/556009382.db2.gz BBKIKZUWQVPZAW-MRXNPFEDSA-N 0 0 452.580 4.107 50 0 JIAARN COc1ccccc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000015821272 556009614 /nfs/dbraw/zinc/00/96/14/556009614.db2.gz KCRYNRSLSLYDSX-UHFFFAOYSA-N 0 0 478.614 4.372 50 0 JIAARN O=C(Cn1nc(-c2cccs2)c2sc(N3CCCCC3)nc2c1=O)c1ccc2c(c1)OCCO2 ZINC000023108930 556010066 /nfs/dbraw/zinc/01/00/66/556010066.db2.gz MTOAUQTXLKKODX-UHFFFAOYSA-N 0 0 494.598 4.226 50 0 JIAARN Cc1nc2cc3c(cc2n1CC(=O)N(CCc1ccccc1)CCc1ccccc1)OCCO3 ZINC000012537579 556010649 /nfs/dbraw/zinc/01/06/49/556010649.db2.gz JFQCENVVZPMPMS-UHFFFAOYSA-N 0 0 455.558 4.430 50 0 JIAARN CCOC(=O)c1cc(NC(=O)CCc2nc(-c3ccc(OCC)cc3)no2)cc(C(=O)OCC)c1 ZINC000023113465 556011322 /nfs/dbraw/zinc/01/13/22/556011322.db2.gz UQGGWNQZSWDTPP-UHFFFAOYSA-N 0 0 481.505 4.060 50 0 JIAARN CNc1nn(CC(=O)Nc2c(C)cc(C)cc2C)c(N)c1-c1nc(-c2cccc(Cl)c2)no1 ZINC000023125393 556013404 /nfs/dbraw/zinc/01/34/04/556013404.db2.gz CSXAFFROUPGLCR-UHFFFAOYSA-N 0 0 465.945 4.441 50 0 JIAARN COc1ccc(CNC(=O)CN2c3ccccc3S(=O)(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000015827328 556014495 /nfs/dbraw/zinc/01/44/95/556014495.db2.gz QBTTUXSIDDPUJY-UHFFFAOYSA-N 0 0 493.585 4.270 50 0 JIAARN CN(CCCC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000012540848 556014604 /nfs/dbraw/zinc/01/46/04/556014604.db2.gz RWQRPHSJEWERET-VWLOTQADSA-N 0 0 480.565 4.009 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)OCC(=O)NCC(F)(F)F)c12 ZINC000012541507 556015627 /nfs/dbraw/zinc/01/56/27/556015627.db2.gz QZGZXRDXFIEPJL-UHFFFAOYSA-N 0 0 474.464 4.293 50 0 JIAARN O=c1c2ccccc2n(Cc2nc(-c3ccc(Cl)cc3)no2)c(=O)n1CCc1ccccc1 ZINC000023126921 556016715 /nfs/dbraw/zinc/01/67/15/556016715.db2.gz BQUDHXGVBOFYCG-UHFFFAOYSA-N 0 0 458.905 4.158 50 0 JIAARN C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000012541891 556016754 /nfs/dbraw/zinc/01/67/54/556016754.db2.gz QRSFUGGEFITHIC-MRXNPFEDSA-N 0 0 484.599 4.470 50 0 JIAARN COc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000023128235 556017295 /nfs/dbraw/zinc/01/72/95/556017295.db2.gz WCCFRRJURMJHKN-GOSISDBHSA-N 0 0 476.558 4.027 50 0 JIAARN CCOC(=O)c1cc(NC(=O)CSc2nc3cc(OCC)ccc3[nH]2)cc(C(=O)OCC)c1 ZINC000012542898 556018341 /nfs/dbraw/zinc/01/83/41/556018341.db2.gz KNDIATOQOQJLBA-UHFFFAOYSA-N 0 0 471.535 4.046 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000015835868 556020667 /nfs/dbraw/zinc/02/06/67/556020667.db2.gz JAIVSEFKRICMQX-UHFFFAOYSA-N 0 0 484.021 4.193 50 0 JIAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(Cl)cc1)N(CCCN1CCOCC1)C3=O ZINC000015838111 556021671 /nfs/dbraw/zinc/02/16/71/556021671.db2.gz YSZJKBSTRYXWQU-QHCPKHFHSA-N 0 0 466.965 4.331 50 0 JIAARN CCSc1nn(CC(=O)Nc2ccccc2C)c2nc3c(c(=O)n12)C(C)(C)Cc1ccccc1-3 ZINC000015839182 556022482 /nfs/dbraw/zinc/02/24/82/556022482.db2.gz UNQLMPJHWZPOQO-UHFFFAOYSA-N 0 0 473.602 4.451 50 0 JIAARN CSc1nn(CC(=O)Nc2cccc(C)c2)c2nc3c(c(=O)n12)C(C)(C)Cc1ccccc1-3 ZINC000015839193 556022563 /nfs/dbraw/zinc/02/25/63/556022563.db2.gz SCTIIPPKCIAKLH-UHFFFAOYSA-N 0 0 459.575 4.061 50 0 JIAARN CCOc1ccc(-c2noc(CNc3cc(S(=O)(=O)N4CCCCCC4)ccc3OC)n2)cc1 ZINC000023145732 556023265 /nfs/dbraw/zinc/02/32/65/556023265.db2.gz JOFLOCQDGMUJDQ-UHFFFAOYSA-N 0 0 486.594 4.321 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000015845480 556023642 /nfs/dbraw/zinc/02/36/42/556023642.db2.gz SVVFIVNKDXVOJN-UHFFFAOYSA-N 0 0 455.580 4.338 50 0 JIAARN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCc1ccccc1CN1CCOCC1 ZINC000012547665 556024480 /nfs/dbraw/zinc/02/44/80/556024480.db2.gz KMPHUWPPBLQGRU-UHFFFAOYSA-N 0 0 471.026 4.075 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)cc1Br ZINC000023155844 556025220 /nfs/dbraw/zinc/02/52/20/556025220.db2.gz VRKVYKOHYKOGQU-WBMJQRKESA-N 0 0 453.358 4.243 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)cc1 ZINC000012548469 556026522 /nfs/dbraw/zinc/02/65/22/556026522.db2.gz LYGSJWGAANRHEI-UHFFFAOYSA-N 0 0 456.951 4.316 50 0 JIAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000012548461 556026618 /nfs/dbraw/zinc/02/66/18/556026618.db2.gz YQRUEJYLCYJWRP-UHFFFAOYSA-N 0 0 488.512 4.199 50 0 JIAARN COc1ccc(CNC(=O)Cc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000012548510 556026962 /nfs/dbraw/zinc/02/69/62/556026962.db2.gz FOCYINQRMYJQBI-UHFFFAOYSA-N 0 0 478.492 4.374 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)N(C)[C@@H](C)c3ccccc3)n2C[C@@H]2CCCO2)cc1 ZINC000023175346 556027280 /nfs/dbraw/zinc/02/72/80/556027280.db2.gz ZQVXLFCCXJMDCH-AVRDEDQJSA-N 0 0 466.607 4.444 50 0 JIAARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000012551346 556033346 /nfs/dbraw/zinc/03/33/46/556033346.db2.gz ZHEFAPNQCNDFRY-UHFFFAOYSA-N 0 0 457.511 4.308 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccc4c(c3)OCCO4)c2)cc1C ZINC000012552136 556034589 /nfs/dbraw/zinc/03/45/89/556034589.db2.gz BUZAAYHQAGXCSH-UHFFFAOYSA-N 0 0 486.977 4.459 50 0 JIAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000012552375 556035193 /nfs/dbraw/zinc/03/51/93/556035193.db2.gz OSLPIIZJPZAPJU-UHFFFAOYSA-N 0 0 466.559 4.229 50 0 JIAARN CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc(-c3ccc(F)cc3)s2)ccc1Cl ZINC000023266612 556037363 /nfs/dbraw/zinc/03/73/63/556037363.db2.gz ARXOHRFVIRLORG-UHFFFAOYSA-N 0 0 496.969 4.253 50 0 JIAARN CC(=O)NCCc1ccc(C(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)cc1 ZINC000012554088 556038190 /nfs/dbraw/zinc/03/81/90/556038190.db2.gz FWQWXQKQMKMJMS-UHFFFAOYSA-N 0 0 460.559 4.489 50 0 JIAARN CC(=O)c1cccc(NC(=O)c2ccc(CN3C(=O)C(C)=C(c4ccc(F)cc4)S3(=O)=O)cc2)c1 ZINC000015864509 556039988 /nfs/dbraw/zinc/03/99/88/556039988.db2.gz RMBWTUGBVMCMFU-UHFFFAOYSA-N 0 0 492.528 4.384 50 0 JIAARN O=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000015865537 556041843 /nfs/dbraw/zinc/04/18/43/556041843.db2.gz OCNXEAHOVJWVCU-UHFFFAOYSA-N 0 0 464.865 4.300 50 0 JIAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)OC(=O)c1ccc(-n2ccnc2)nc1 ZINC000012556825 556043576 /nfs/dbraw/zinc/04/35/76/556043576.db2.gz LWFTUWBAEWMKTO-MRXNPFEDSA-N 0 0 490.541 4.357 50 0 JIAARN O=C(NCCCN1CCCC1=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023335500 556044837 /nfs/dbraw/zinc/04/48/37/556044837.db2.gz ZHEPDNWEAUPHFT-UHFFFAOYSA-N 0 0 471.605 4.476 50 0 JIAARN COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=S)N[C@H]1c1cc(OC)c(OC)cc1OC ZINC000012557652 556045789 /nfs/dbraw/zinc/04/57/89/556045789.db2.gz GQYXHHHRUNHDKV-NRFANRHFSA-N 0 0 460.527 4.043 50 0 JIAARN CC(=O)c1ccc(N2CCN(C(=O)c3nn(-c4ccc(F)cc4)c4c3CCCCC4)CC2)cc1 ZINC000012557701 556046135 /nfs/dbraw/zinc/04/61/35/556046135.db2.gz SEOCXHWFAMENPK-UHFFFAOYSA-N 0 0 460.553 4.445 50 0 JIAARN Cc1ccccc1-n1cnnc1SCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000012558001 556046829 /nfs/dbraw/zinc/04/68/29/556046829.db2.gz FZMGAQZFHQREJU-NRFANRHFSA-N 0 0 456.015 4.275 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)cc1F ZINC000015882142 556055171 /nfs/dbraw/zinc/05/51/71/556055171.db2.gz ZNQKZZXSLMBWJE-UHFFFAOYSA-N 0 0 456.543 4.473 50 0 JIAARN COc1ccc(-c2cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)c3ccccc3n2)cc1 ZINC000012562615 556056909 /nfs/dbraw/zinc/05/69/09/556056909.db2.gz PWEBRFKLDYDBNF-UHFFFAOYSA-N 0 0 461.543 4.413 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)COc1ccccc1OC ZINC000012564432 556060347 /nfs/dbraw/zinc/06/03/47/556060347.db2.gz WQJJZKWKHNGWOB-UHFFFAOYSA-N 0 0 476.938 4.176 50 0 JIAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)COC(=O)c1ccc(OC)cc1 ZINC000012564553 556060678 /nfs/dbraw/zinc/06/06/78/556060678.db2.gz WGYHKBDETUJBJN-UHFFFAOYSA-N 0 0 499.541 4.413 50 0 JIAARN O=S(=O)(c1ccc2c(c1)nc(SCc1ccccc1)n2C[C@H]1CCCO1)N1CCCC1 ZINC000023443948 556061424 /nfs/dbraw/zinc/06/14/24/556061424.db2.gz SIAOGBRNKXUEHD-LJQANCHMSA-N 0 0 457.621 4.292 50 0 JIAARN Cc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000015897896 556062087 /nfs/dbraw/zinc/06/20/87/556062087.db2.gz VLCCHEJKOIUYNH-UHFFFAOYSA-N 0 0 470.332 4.139 50 0 JIAARN C[C@@H](NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000012566504 556064409 /nfs/dbraw/zinc/06/44/09/556064409.db2.gz FZZCDZODWLJGCB-HWWKNPRSSA-N 0 0 474.601 4.348 50 0 JIAARN O=S(=O)(c1ccc2c(c1)nc(SCc1cccc(F)c1)n2C[C@@H]1CCCO1)N1CCCC1 ZINC000023451285 556065972 /nfs/dbraw/zinc/06/59/72/556065972.db2.gz DLMBTIPKQQUWOY-IBGZPJMESA-N 0 0 475.611 4.431 50 0 JIAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)Nc1sccc1C(N)=O ZINC000012567551 556066800 /nfs/dbraw/zinc/06/68/00/556066800.db2.gz MCAXOBYJZOZNTN-LLVKDONJSA-N 0 0 452.565 4.041 50 0 JIAARN CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nc(C)nc4sc(C)c(C)c43)ccc21 ZINC000012567550 556066810 /nfs/dbraw/zinc/06/68/10/556066810.db2.gz JRBCRVBTEUHIKD-UHFFFAOYSA-N 0 0 461.634 4.304 50 0 JIAARN CCOc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000015919419 556067229 /nfs/dbraw/zinc/06/72/29/556067229.db2.gz WNSXMJRGNSCRLR-UHFFFAOYSA-N 0 0 488.631 4.232 50 0 JIAARN C[C@]1(O)CC(=O)[C@H](C(=O)OCc2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)OCc1ccccc1 ZINC000015920496 556069156 /nfs/dbraw/zinc/06/91/56/556069156.db2.gz BJFJOFPCYFADAC-KGWIZABPSA-N 0 0 472.537 4.213 50 0 JIAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1)C2=O ZINC000012568503 556069103 /nfs/dbraw/zinc/06/91/03/556069103.db2.gz JCWRBBFDKPAFDH-BDNFLSAOSA-N 0 0 476.577 4.007 50 0 JIAARN CCn1c(CSc2nnc3[nH]c4ccccc4n32)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000023472301 556074126 /nfs/dbraw/zinc/07/41/26/556074126.db2.gz OTCWOPPHJTXVSS-UHFFFAOYSA-N 0 0 495.634 4.047 50 0 JIAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@H](c1nccn1C)c1ccccc1F ZINC000023491097 556075636 /nfs/dbraw/zinc/07/56/36/556075636.db2.gz UEMHHMMWSJZALD-IBGZPJMESA-N 0 0 473.430 4.292 50 0 JIAARN O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000023542134 556077493 /nfs/dbraw/zinc/07/74/93/556077493.db2.gz FUFWRRMTHFDADB-DEOSSOPVSA-N 0 0 485.565 4.088 50 0 JIAARN CN1CCc2nc(NC(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)sc2C1 ZINC000023607607 556080000 /nfs/dbraw/zinc/08/00/00/556080000.db2.gz JTACKKUGUHSCQD-UHFFFAOYSA-N 0 0 459.925 4.053 50 0 JIAARN CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1-c1cccs1 ZINC000012585755 556083381 /nfs/dbraw/zinc/08/33/81/556083381.db2.gz FUXVYVQGINYRPR-MRXNPFEDSA-N 0 0 456.593 4.254 50 0 JIAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2cc(-c3cccs3)on2)CC1 ZINC000023704485 556084657 /nfs/dbraw/zinc/08/46/57/556084657.db2.gz COCKMAVYHWZSEH-UHFFFAOYSA-N 0 0 458.392 4.216 50 0 JIAARN O=C(CSCc1nc(=O)c2c(-c3cccs3)csc2[nH]1)Nc1ccccc1N1CCOCC1 ZINC000012588093 556084667 /nfs/dbraw/zinc/08/46/67/556084667.db2.gz FMELZNBVAJHPCO-UHFFFAOYSA-N 0 0 498.655 4.422 50 0 JIAARN Cc1cccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)[C@@H]3CCS(=O)(=O)C3)c2=S)c1 ZINC000012588550 556084966 /nfs/dbraw/zinc/08/49/66/556084966.db2.gz VMQNOEOENITRLO-LJQANCHMSA-N 0 0 463.028 4.109 50 0 JIAARN CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(OC)c(Cl)c2)CC1 ZINC000012590883 556086972 /nfs/dbraw/zinc/08/69/72/556086972.db2.gz KXWIOBXACIUBDK-QGZVFWFLSA-N 0 0 486.041 4.241 50 0 JIAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCn1c(=O)oc2ccccc21 ZINC000023742784 556087125 /nfs/dbraw/zinc/08/71/25/556087125.db2.gz VBJGHGLJXKMPES-UHFFFAOYSA-N 0 0 452.514 4.496 50 0 JIAARN Nc1nc(COC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccccc2Cl)nc2ccccc12 ZINC000012592171 556087846 /nfs/dbraw/zinc/08/78/46/556087846.db2.gz BMDYFTCTUFKTSO-JOCHJYFZSA-N 0 0 472.932 4.176 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(N4CCCC4=O)cc3)cc2)cc1C ZINC000023787713 556088237 /nfs/dbraw/zinc/08/82/37/556088237.db2.gz FUUHNLMNBTVIFT-UHFFFAOYSA-N 0 0 477.586 4.412 50 0 JIAARN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)c1 ZINC000015956885 556088766 /nfs/dbraw/zinc/08/87/66/556088766.db2.gz KEKPWUFWEMJLKP-MBWLVOMUSA-N 0 0 465.546 4.341 50 0 biogenic JIAARN COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC ZINC000015958578 556090329 /nfs/dbraw/zinc/09/03/29/556090329.db2.gz VNKCHUMFJCPYPJ-IDNYDCHQSA-N 0 0 468.594 4.328 50 0 biogenic JIAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1csc(Nc3ccccc3)n1)C2=O ZINC000023845340 556091364 /nfs/dbraw/zinc/09/13/64/556091364.db2.gz MXCPYUWKXWQQKM-CMJOXMDJSA-N 0 0 456.568 4.067 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CN1C(=O)NC3(CCCCCC3)C1=O)CC2 ZINC000023881083 556097785 /nfs/dbraw/zinc/09/77/85/556097785.db2.gz PFHMVTZPHHHQKS-XMMPIXPASA-N 0 0 463.578 4.254 50 0 JIAARN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000023920901 556101388 /nfs/dbraw/zinc/10/13/88/556101388.db2.gz CTAIYKBROQLLPX-IBGZPJMESA-N 0 0 477.634 4.446 50 0 JIAARN C[C@@H](NC(=O)CN1CCC(c2nc3ccccc3s2)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000023934883 556101480 /nfs/dbraw/zinc/10/14/80/556101480.db2.gz DDEVCDRFHOKTFL-FQRUVTKNSA-N 0 0 478.662 4.054 50 0 JIAARN O=C(c1ccco1)N1CCC(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1 ZINC000023936207 556102447 /nfs/dbraw/zinc/10/24/47/556102447.db2.gz YXMWPIBAUDHLLX-UHFFFAOYSA-N 0 0 493.554 4.344 50 0 JIAARN CC(=O)Nc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1 ZINC000015991697 556102602 /nfs/dbraw/zinc/10/26/02/556102602.db2.gz CKEILUXZTCSTPB-UHFFFAOYSA-N 0 0 466.538 4.399 50 0 JIAARN COc1ccc(OC)c(C(=O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)c1 ZINC000015996360 556102865 /nfs/dbraw/zinc/10/28/65/556102865.db2.gz XNTOPXWHZWCKPS-QUMGSSFMSA-N 0 0 486.568 4.230 50 0 JIAARN COc1cc(/C=C2\SC(=O)N(CCNC(=O)c3ccc4ccccc4c3)C2=O)cc(OC)c1OC ZINC000015994973 556102894 /nfs/dbraw/zinc/10/28/94/556102894.db2.gz CQZLGIONIFDIDN-HMAPJEAMSA-N 0 0 492.553 4.332 50 0 JIAARN Cc1ccccc1CS(=O)(=O)c1nnc([C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 ZINC000015996630 556103215 /nfs/dbraw/zinc/10/32/15/556103215.db2.gz OPZXUEIGPNYNBQ-LJQANCHMSA-N 0 0 457.552 4.160 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)cc2)cc1 ZINC000023967627 556106937 /nfs/dbraw/zinc/10/69/37/556106937.db2.gz PURGCMGIPXDLON-VWLOTQADSA-N 0 0 479.602 4.015 50 0 JIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@H]2C)c1 ZINC000016006743 556107520 /nfs/dbraw/zinc/10/75/20/556107520.db2.gz ZTXJJSBSPMQEGQ-CQSZACIVSA-N 0 0 494.635 4.366 50 0 JIAARN Cc1ccccc1SCC(=O)N1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)[nH]2)CC1 ZINC000023968050 556107906 /nfs/dbraw/zinc/10/79/06/556107906.db2.gz ICIUCTLVMFEPFP-UHFFFAOYSA-N 0 0 496.683 4.458 50 0 JIAARN O=S(=O)(c1ccc(SCc2nc3ccccc3o2)nc1)N1CCN(Cc2ccccc2)CC1 ZINC000023982774 556110336 /nfs/dbraw/zinc/11/03/36/556110336.db2.gz YGFRFQSGNOFVJB-UHFFFAOYSA-N 0 0 480.615 4.022 50 0 JIAARN COc1ccc(CN(C)Cc2cc(=O)n3c(-c4ccccc4)csc3n2)c(OC)c1OC ZINC000012781196 556111493 /nfs/dbraw/zinc/11/14/93/556111493.db2.gz NZHJMLFTDKTKEA-UHFFFAOYSA-N 0 0 451.548 4.081 50 0 JIAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016012999 556112038 /nfs/dbraw/zinc/11/20/38/556112038.db2.gz HOXQVKPXIPYTRW-UAKAABGRSA-N 0 0 470.356 4.041 50 0 JIAARN C[C@H](c1nnc(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C ZINC000023989576 556113804 /nfs/dbraw/zinc/11/38/04/556113804.db2.gz JGBATJOPPFMZBQ-CQSZACIVSA-N 0 0 454.987 4.131 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000016023074 556114994 /nfs/dbraw/zinc/11/49/94/556114994.db2.gz XVGWWTSGSOBBBQ-UHFFFAOYSA-N 0 0 450.560 4.178 50 0 JIAARN CCOc1c(Cl)cc(/C=C/C(=O)N[C@H](c2nccn2C)c2cc(OC)cc(OC)c2)cc1OC ZINC000024022612 556116682 /nfs/dbraw/zinc/11/66/82/556116682.db2.gz KSGOHIJILMQTDP-MNQSQUENSA-N 0 0 485.968 4.417 50 0 JIAARN Cc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)n2)cc1 ZINC000024023246 556116992 /nfs/dbraw/zinc/11/69/92/556116992.db2.gz QMAJDDXAUHRKRK-UHFFFAOYSA-N 0 0 465.623 4.273 50 0 JIAARN O=C(CCNS(=O)(=O)c1cccs1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000024030475 556117287 /nfs/dbraw/zinc/11/72/87/556117287.db2.gz LANDKHFRTCGIAW-UHFFFAOYSA-N 0 0 497.520 4.326 50 0 JIAARN COc1ccc(C)cc1CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000024082675 556120696 /nfs/dbraw/zinc/12/06/96/556120696.db2.gz ODYHQIIYTKZGKN-UHFFFAOYSA-N 0 0 467.573 4.209 50 0 JIAARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCCC1 ZINC000012885419 556124261 /nfs/dbraw/zinc/12/42/61/556124261.db2.gz VAIKMUSEBVTDCK-OHSXHVKISA-N 0 0 498.627 4.228 50 0 biogenic JIAARN CCCCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000024148121 556124448 /nfs/dbraw/zinc/12/44/48/556124448.db2.gz IKDNSLPACDGDAB-VWLOTQADSA-N 0 0 494.563 4.379 50 0 JIAARN CCc1ccc(NC(=O)[C@H](C)N2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)cc1 ZINC000016044774 556125117 /nfs/dbraw/zinc/12/51/17/556125117.db2.gz JMUWJXPWYYFXCJ-FQEVSTJZSA-N 0 0 455.558 4.352 50 0 JIAARN COc1ccc2cc(CN(C)C(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)ccc2c1 ZINC000012912026 556130982 /nfs/dbraw/zinc/13/09/82/556130982.db2.gz GRTHTPJOOYTAIH-UHFFFAOYSA-N 0 0 466.603 4.216 50 0 JIAARN COc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1OC ZINC000012912843 556131848 /nfs/dbraw/zinc/13/18/48/556131848.db2.gz LHIXHHZNWKGDRH-UHFFFAOYSA-N 0 0 481.014 4.194 50 0 JIAARN O=C1C(=O)N(C23CC4CC(CC(C4)C2)C3)C(=O)N1CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000012913756 556132802 /nfs/dbraw/zinc/13/28/02/556132802.db2.gz YKECDWNKOPRNNG-JWDGYQHVSA-N 0 0 464.591 4.150 50 0 JIAARN Cc1cc(=O)c(C(=O)N(C)CCOc2ccccc2Cl)nn1-c1cccc(C(F)(F)F)c1 ZINC000012915550 556134608 /nfs/dbraw/zinc/13/46/08/556134608.db2.gz NIHMQQULFOFKSU-UHFFFAOYSA-N 0 0 465.859 4.364 50 0 JIAARN O=C(COC(=O)C1(c2cccc(Cl)c2)CCCCC1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000012918580 556137307 /nfs/dbraw/zinc/13/73/07/556137307.db2.gz CQJRQFBIPIBORZ-QFIPXVFZSA-N 0 0 490.021 4.305 50 0 JIAARN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024606494 556138897 /nfs/dbraw/zinc/13/88/97/556138897.db2.gz FUTXURKGNPYAKD-LJQANCHMSA-N 0 0 456.589 4.367 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2sc(-c3ccsc3)nc2C)c1 ZINC000012921231 556139870 /nfs/dbraw/zinc/13/98/70/556139870.db2.gz XJWQQXLBVZVETK-UHFFFAOYSA-N 0 0 451.595 4.168 50 0 JIAARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012921725 556140472 /nfs/dbraw/zinc/14/04/72/556140472.db2.gz IHDYXIXCUKXXJR-UHFFFAOYSA-N 0 0 494.400 4.114 50 0 JIAARN COc1ccc(-c2nc(CC(=O)NCC(=O)Nc3cccc(Cl)c3C)cs2)cc1OC ZINC000012922915 556141591 /nfs/dbraw/zinc/14/15/91/556141591.db2.gz NONMOHFMQLCLIS-UHFFFAOYSA-N 0 0 459.955 4.087 50 0 JIAARN CC[C@H](C)N(CC(=O)N(CCOC)Cc1cccn1Cc1ccccc1)C(=O)c1ccco1 ZINC000016509896 556141844 /nfs/dbraw/zinc/14/18/44/556141844.db2.gz YCBWBSPRJUXRLW-NRFANRHFSA-N 0 0 451.567 4.045 50 0 JIAARN CSc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)c1 ZINC000024613627 556142344 /nfs/dbraw/zinc/14/23/44/556142344.db2.gz OIGXTHRVUVZXTN-UHFFFAOYSA-N 0 0 456.992 4.382 50 0 JIAARN Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(C2CCCCC2)C1=O ZINC000016570979 556143263 /nfs/dbraw/zinc/14/32/63/556143263.db2.gz CGSAEPYNIRYIQO-UHFFFAOYSA-O 0 0 477.972 4.205 50 0 JIAARN O=C(O[C@@H](c1cc(F)cc(F)c1)C(F)(F)F)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000012925280 556143466 /nfs/dbraw/zinc/14/34/66/556143466.db2.gz VNUKCZYQPVXLMW-INIZCTEOSA-N 0 0 498.857 4.261 50 0 JIAARN CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1 ZINC000012925342 556143694 /nfs/dbraw/zinc/14/36/94/556143694.db2.gz PWWXLVAHPNLBLO-MYYSRTQBSA-N 0 0 452.532 4.169 50 0 JIAARN COc1ccc(-c2noc(CCC(=O)NCCc3ccc(-c4csc(C)n4)cc3)n2)cc1OC ZINC000024658169 556144229 /nfs/dbraw/zinc/14/42/29/556144229.db2.gz WYLRKQRWTGSHRF-UHFFFAOYSA-N 0 0 478.574 4.477 50 0 JIAARN COc1ccc(NC(=O)Nc2cccc([C@@H]3NC(=S)N(C)C(C)=C3C(=O)OC(C)C)c2)c(OC)c1 ZINC000016610973 556146958 /nfs/dbraw/zinc/14/69/58/556146958.db2.gz GLSJXVMPJLRYLC-QFIPXVFZSA-N 0 0 498.605 4.434 50 0 JIAARN CN(CC(=O)N(C)CC(=O)Nc1ccccc1Br)Cc1ccc(Cl)c(Cl)c1 ZINC000012929926 556147040 /nfs/dbraw/zinc/14/70/40/556147040.db2.gz GMDDOHHADNQKHY-UHFFFAOYSA-N 0 0 473.198 4.285 50 0 JIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1I ZINC000024734525 556147383 /nfs/dbraw/zinc/14/73/83/556147383.db2.gz WRZITEJBSJWFCP-UHFFFAOYSA-N 0 0 463.102 4.309 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N[C@@H]3CCSc4ccc(F)cc43)ccc2Cl)C[C@H](C)O1 ZINC000012931224 556147863 /nfs/dbraw/zinc/14/78/63/556147863.db2.gz TTXFLWRHVDCRPV-BIENJYKASA-N 0 0 499.029 4.244 50 0 JIAARN C[C@@H]1CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)c2ccccc2S1 ZINC000012937214 556151852 /nfs/dbraw/zinc/15/18/52/556151852.db2.gz BUQJRFZRHBEPHB-CYBMUJFWSA-N 0 0 469.426 4.231 50 0 JIAARN C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)Cc1ccccc1OC(F)(F)F ZINC000024774533 556154590 /nfs/dbraw/zinc/15/45/90/556154590.db2.gz NWMACDWUNVDVCK-GFCCVEGCSA-N 0 0 459.262 4.125 50 0 JIAARN CC(C)c1ccc(-c2nc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)cs2)cc1 ZINC000024777707 556155147 /nfs/dbraw/zinc/15/51/47/556155147.db2.gz SRYLFLYAWWVBLD-UHFFFAOYSA-N 0 0 455.605 4.387 50 0 JIAARN C[C@H](NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1)c1cc2ccccc2o1 ZINC000012942335 556155299 /nfs/dbraw/zinc/15/52/99/556155299.db2.gz QGJNKTDZFQIPOO-KSFYIVLOSA-N 0 0 490.585 4.346 50 0 JIAARN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012944563 556156750 /nfs/dbraw/zinc/15/67/50/556156750.db2.gz YAYLOJJOABSZOG-NRFANRHFSA-N 0 0 468.953 4.286 50 0 JIAARN C[C@H](Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C(=O)N(C)c1ccccc1 ZINC000024835905 556159057 /nfs/dbraw/zinc/15/90/57/556159057.db2.gz OLYCQQBXUAKGRR-SFHVURJKSA-N 0 0 481.574 4.112 50 0 JIAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC[C@H]1COc2ccccc2O1 ZINC000024858223 556161204 /nfs/dbraw/zinc/16/12/04/556161204.db2.gz ABZWOYPWXJYLNW-GHTZIAJQSA-N 0 0 450.922 4.157 50 0 JIAARN O=C(c1cnn(-c2ccccc2)c1)c1ccccc1OS(=O)(=O)c1cccc2cccnc21 ZINC000012960724 556162958 /nfs/dbraw/zinc/16/29/58/556162958.db2.gz XNEMUICNSDOGBT-UHFFFAOYSA-N 0 0 455.495 4.419 50 0 JIAARN O=C(Cc1coc(-c2ccccc2)n1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024921050 556163087 /nfs/dbraw/zinc/16/30/87/556163087.db2.gz ZAHHAPMLVBOFMO-UHFFFAOYSA-N 0 0 462.550 4.491 50 0 JIAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000024923871 556163424 /nfs/dbraw/zinc/16/34/24/556163424.db2.gz IRZUKSTWUICLED-IBGZPJMESA-N 0 0 469.588 4.307 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2nccn3nc(-c4ccccc4OC)cc23)c1 ZINC000016842091 556163639 /nfs/dbraw/zinc/16/36/39/556163639.db2.gz FRZZADDKIPKZFE-UHFFFAOYSA-N 0 0 450.520 4.153 50 0 JIAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(CC(=O)Nc4ccc5c(c4)OCO5)c3c2=O)cc1 ZINC000016842134 556163871 /nfs/dbraw/zinc/16/38/71/556163871.db2.gz MIYPVKIVDHNKMH-UHFFFAOYSA-N 0 0 496.523 4.084 50 0 JIAARN CCOc1ccccc1OCCCC(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 ZINC000024935168 556164464 /nfs/dbraw/zinc/16/44/64/556164464.db2.gz OPRYEQWRZUTDAS-UHFFFAOYSA-N 0 0 489.619 4.277 50 0 JIAARN COc1ccc(-n2c(S[C@@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)nnc2-c2ccncc2)cc1 ZINC000024969266 556165595 /nfs/dbraw/zinc/16/55/95/556165595.db2.gz OSWYBTRLURCHBB-KSZLIROESA-N 0 0 451.596 4.323 50 0 JIAARN CCOc1ccc(-c2nc(CSc3n[nH]c(=O)c4cc(-c5ccco5)nn43)c(C)o2)cc1OC ZINC000016844137 556165866 /nfs/dbraw/zinc/16/58/66/556165866.db2.gz WLVUNWVWUGQZJQ-UHFFFAOYSA-N 0 0 479.518 4.341 50 0 JIAARN CCc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000016844272 556166179 /nfs/dbraw/zinc/16/61/79/556166179.db2.gz IMAQRCQFFXEAHE-UHFFFAOYSA-N 0 0 473.595 4.213 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)c1 ZINC000016844957 556166684 /nfs/dbraw/zinc/16/66/84/556166684.db2.gz UCRYQEPGHIRWSO-UHFFFAOYSA-N 0 0 467.572 4.410 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CSc1nc2c(-c3ccccc3)csc2c(=O)n1C ZINC000016844992 556166702 /nfs/dbraw/zinc/16/67/02/556166702.db2.gz PGLLPRBICKSYSV-UHFFFAOYSA-N 0 0 465.556 4.179 50 0 JIAARN C[C@@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000024978881 556167449 /nfs/dbraw/zinc/16/74/49/556167449.db2.gz ZFDAOXHFWKUFHM-FQEVSTJZSA-N 0 0 466.029 4.039 50 0 JIAARN COc1ccccc1[C@H]1[C@@H](C(=O)Nc2ccc(-n3nccn3)nc2)CCC(=O)N1c1ccc(C)cc1 ZINC000024979302 556167735 /nfs/dbraw/zinc/16/77/35/556167735.db2.gz IKYZFBFMUCGUPC-NVQXNPDNSA-N 0 0 482.544 4.102 50 0 JIAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000016846533 556168793 /nfs/dbraw/zinc/16/87/93/556168793.db2.gz IORACRDNLFBOIG-UHFFFAOYSA-N 0 0 471.516 4.028 50 0 JIAARN Cc1sc2nc(CS[C@H](C)C(=O)NCc3ccc(OCC(F)(F)F)cc3)[nH]c(=O)c2c1C ZINC000024983667 556168947 /nfs/dbraw/zinc/16/89/47/556168947.db2.gz WCNNANGKXZICPT-CYBMUJFWSA-N 0 0 485.553 4.481 50 0 JIAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cn2nc(C3CC3)n(-c3ccccc3)c2=S)CC1 ZINC000016876781 556170854 /nfs/dbraw/zinc/17/08/54/556170854.db2.gz BNIYYIBPWFJCBF-UHFFFAOYSA-N 0 0 477.590 4.318 50 0 JIAARN Cc1ccc(C(=O)CCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1C ZINC000012979090 556171796 /nfs/dbraw/zinc/17/17/96/556171796.db2.gz TWOZUFPLEUDXCS-UHFFFAOYSA-N 0 0 475.511 4.068 50 0 JIAARN CN(C)Cc1nc2ccccc2c(SCC(=O)Nc2ccc(I)cc2)n1 ZINC000012979666 556172750 /nfs/dbraw/zinc/17/27/50/556172750.db2.gz PDQLIHIZVDXGJZ-UHFFFAOYSA-N 0 0 478.359 4.027 50 0 JIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)N(C)C)cc1OC ZINC000025045637 556173702 /nfs/dbraw/zinc/17/37/02/556173702.db2.gz YLEIAXUAEJLMAG-NRFANRHFSA-N 0 0 460.534 4.182 50 0 JIAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2C[C@H](O)COc2ccc(C)cc2)CC1=O ZINC000016902665 556173818 /nfs/dbraw/zinc/17/38/18/556173818.db2.gz HVXKQOFRFGUVEJ-RTWAWAEBSA-N 0 0 471.557 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/nfs/dbraw/zinc/61/03/37/569610337.db2.gz CXIQOSSJKXAUPO-MKMNVTDBSA-N 0 0 455.507 4.305 50 0 biogenic JIAARN CCc1noc(CCCC(=O)O[C@H](c2ccccc2)[C@@H](C)N(C)S(=O)(=O)c2cccs2)n1 ZINC000062564163 569611087 /nfs/dbraw/zinc/61/10/87/569611087.db2.gz QMDKWSTWZYUJNX-ZHRRBRCNSA-N 0 0 477.608 4.010 50 0 JIAARN O=C1C(=O)N(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c2cc(Br)ccc21 ZINC000062589998 569612328 /nfs/dbraw/zinc/61/23/28/569612328.db2.gz BVWKXMNXUGUCED-CQSZACIVSA-N 0 0 485.313 4.005 50 0 JIAARN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000062602523 569612817 /nfs/dbraw/zinc/61/28/17/569612817.db2.gz OCECCGSECCAEJI-UHFFFAOYSA-N 0 0 479.558 4.047 50 0 JIAARN COc1ccc(CNC(=O)c2ccc(-n3nc(Sc4ccc(F)cc4)ccc3=O)cc2)cc1 ZINC000032998814 569612951 /nfs/dbraw/zinc/61/29/51/569612951.db2.gz NKFBLAPVRGFHGC-UHFFFAOYSA-N 0 0 461.518 4.461 50 0 JIAARN Cc1sc2ncnc(N3CCC(C(=O)N[C@H](c4nc(-c5cccnc5)no4)C(C)C)CC3)c2c1C ZINC000062620508 569613217 /nfs/dbraw/zinc/61/32/17/569613217.db2.gz OUTLVRJLKFRSHV-FQEVSTJZSA-N 0 0 491.621 4.483 50 0 JIAARN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3cccc(OCc4cccs4)c3)C2)cc1 ZINC000062621022 569613342 /nfs/dbraw/zinc/61/33/42/569613342.db2.gz SURRVGGIRRNZKO-HXUWFJFHSA-N 0 0 484.643 4.466 50 0 JIAARN Cc1c(C)n(-c2cc(Cl)ccc2C)c2ncn(CCC(=O)NCCc3ccco3)c(=O)c12 ZINC000032999306 569613658 /nfs/dbraw/zinc/61/36/58/569613658.db2.gz IQCGEQKORTUAAH-UHFFFAOYSA-N 0 0 452.942 4.108 50 0 JIAARN O=C(COc1ccccc1Br)OCC(=O)c1ccc(-n2nncc2-c2ccco2)cc1 ZINC000062637649 569613902 /nfs/dbraw/zinc/61/39/02/569613902.db2.gz LXFLCODZFZJBRW-UHFFFAOYSA-N 0 0 482.290 4.095 50 0 JIAARN COc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000062734712 569614645 /nfs/dbraw/zinc/61/46/45/569614645.db2.gz PKJUXTNZIIDXFB-UHFFFAOYSA-N 0 0 493.629 4.188 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1 ZINC000033007633 569615623 /nfs/dbraw/zinc/61/56/23/569615623.db2.gz WEBBVYKBBUXMBW-UHFFFAOYSA-N 0 0 466.544 4.308 50 0 JIAARN O=C(COc1ccc(-c2ncccn2)cc1CN1CCN(c2ccccc2)CC1)NCc1cccs1 ZINC000064074645 569616107 /nfs/dbraw/zinc/61/61/07/569616107.db2.gz RTDBDDCSIIWVEC-UHFFFAOYSA-N 0 0 499.640 4.223 50 0 JIAARN Cc1c(-c2nc(-c3ccccc3C)no2)sc2ncn(CC(=O)N(C)Cc3ccccc3)c(=O)c12 ZINC000064439200 569616820 /nfs/dbraw/zinc/61/68/20/569616820.db2.gz KAFNXBYFQZBRKA-UHFFFAOYSA-N 0 0 485.569 4.450 50 0 JIAARN Cc1c(-c2nc(-c3ccncc3)no2)sc2ncn(CC(=O)Nc3cccc(Cl)c3C)c(=O)c12 ZINC000064439256 569616830 /nfs/dbraw/zinc/61/68/30/569616830.db2.gz OEVKNBLQJDICJW-UHFFFAOYSA-N 0 0 492.948 4.479 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3cccc(Cn4c(=O)c5cccn5c5cccnc54)c3)CC2)c1C ZINC000033012105 569617293 /nfs/dbraw/zinc/61/72/93/569617293.db2.gz ADRQASVNXUTEFO-UHFFFAOYSA-N 0 0 491.595 4.277 50 0 JIAARN CCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2ccc(OC)cc2)c1=O ZINC000033012264 569617476 /nfs/dbraw/zinc/61/74/76/569617476.db2.gz ADSJDXPGHKOHHW-UHFFFAOYSA-N 0 0 470.529 4.368 50 0 JIAARN Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3ccc(C)nc32)cc1 ZINC000064526349 569618154 /nfs/dbraw/zinc/61/81/54/569618154.db2.gz UIIUBPVNLOIMMV-UHFFFAOYSA-N 0 0 481.961 4.138 50 0 JIAARN O=C([C@H]1CCCN(c2nc3ncccc3n3cccc23)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000033018743 569618309 /nfs/dbraw/zinc/61/83/09/569618309.db2.gz GHGXTLWOHFZFBY-IBGZPJMESA-N 0 0 474.996 4.101 50 0 JIAARN COc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccccc2OC)cc1 ZINC000064558396 569618697 /nfs/dbraw/zinc/61/86/97/569618697.db2.gz CIWMBBCABPLUDY-HSZRJFAPSA-N 0 0 479.554 4.339 50 0 JIAARN CCC(=O)Nc1nc2cc(NC(=O)CN3c4cc(Cl)ccc4O[C@@H](CC)C3=O)ccc2s1 ZINC000033019989 569618751 /nfs/dbraw/zinc/61/87/51/569618751.db2.gz UWQGMJNJALSDCX-INIZCTEOSA-N 0 0 472.954 4.441 50 0 JIAARN Cn1nc(COCc2ccc(F)cc2Cl)c2c1CCN(C(=O)NCc1ccc(F)cc1)C2 ZINC000064565845 569619344 /nfs/dbraw/zinc/61/93/44/569619344.db2.gz IZAFHBHSNYZKJW-UHFFFAOYSA-N 0 0 460.912 4.336 50 0 JIAARN CC[C@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCCC4)CC3)ccc21 ZINC000033023116 569619423 /nfs/dbraw/zinc/61/94/23/569619423.db2.gz BXNYQIKUKBKUTC-SFHVURJKSA-N 0 0 475.659 4.032 50 0 JIAARN CCC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C(=O)[O-])CC1 ZINC000064580571 569620355 /nfs/dbraw/zinc/62/03/55/569620355.db2.gz NLGPZEBINWJZSJ-UHFFFAOYSA-N 0 0 459.612 4.015 50 0 JIAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)CC1)NC1CCCCC1 ZINC000033025070 569620597 /nfs/dbraw/zinc/62/05/97/569620597.db2.gz WNWZHAAFODJOIU-UHFFFAOYSA-N 0 0 490.029 4.135 50 0 JIAARN Cc1ccn2c(=O)cc(CSc3ccccc3NS(=O)(=O)c3ccccc3C)nc2c1 ZINC000033026243 569621127 /nfs/dbraw/zinc/62/11/27/569621127.db2.gz UUZZTZWJWMDCPF-UHFFFAOYSA-N 0 0 451.573 4.404 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccccc2SCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000033026309 569621171 /nfs/dbraw/zinc/62/11/71/569621171.db2.gz DLSPKSKCRRBRQT-UHFFFAOYSA-N 0 0 467.572 4.105 50 0 JIAARN CCc1ccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3Cc2ccco2)cc1 ZINC000064590631 569621599 /nfs/dbraw/zinc/62/15/99/569621599.db2.gz LPPBNLOOZGDALT-UHFFFAOYSA-N 0 0 465.560 4.040 50 0 JIAARN O=C(CSc1nnc2n1c1ccsc1c(=O)n2Cc1ccco1)Nc1ccc(F)cc1Cl ZINC000064590703 569621662 /nfs/dbraw/zinc/62/16/62/569621662.db2.gz GTBGYHSKJAALQS-UHFFFAOYSA-N 0 0 489.941 4.270 50 0 JIAARN Cc1cc(C)cc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3ccc(C)nc32)c1 ZINC000064591180 569621738 /nfs/dbraw/zinc/62/17/38/569621738.db2.gz CWSXNUFWHCJJCZ-UHFFFAOYSA-N 0 0 495.988 4.447 50 0 JIAARN Cc1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(-c4noc(C5CC5)n4)cc3)CC2)c1 ZINC000033276793 569622045 /nfs/dbraw/zinc/62/20/45/569622045.db2.gz XORQFZKFVXNYRR-UHFFFAOYSA-N 0 0 480.590 4.270 50 0 JIAARN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3F)nc2O)cc1 ZINC000064591970 569622058 /nfs/dbraw/zinc/62/20/58/569622058.db2.gz CUFRBSMJYAEXPK-UHFFFAOYSA-N 0 0 475.567 4.228 50 0 JIAARN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Cl)c3C)nc2O)cc1 ZINC000064592091 569622271 /nfs/dbraw/zinc/62/22/71/569622271.db2.gz UYSWOWRLONPXRM-UHFFFAOYSA-N 0 0 493.994 4.106 50 0 JIAARN Cc1ccc(-c2cc(NC(=O)c3ccccc3)c(=O)n(CC(=O)Nc3ccccc3C)n2)cc1 ZINC000064605166 569622609 /nfs/dbraw/zinc/62/26/09/569622609.db2.gz PIYDZNBBZUZVRV-UHFFFAOYSA-N 0 0 452.514 4.418 50 0 JIAARN CCOC(=O)C1CCN(C(=O)c2ccc(-c3nc4ccccc4n(CC(C)C)c3=O)cc2)CC1 ZINC000033298536 569622631 /nfs/dbraw/zinc/62/26/31/569622631.db2.gz QGRBSQHGKOTRPM-UHFFFAOYSA-N 0 0 461.562 4.135 50 0 JIAARN COc1ccccc1N1CCN(c2ccnc(SCC(=O)Nc3cccc(C)c3C)n2)CC1 ZINC000033309890 569622670 /nfs/dbraw/zinc/62/26/70/569622670.db2.gz IDJLUHWVDBZJEY-UHFFFAOYSA-N 0 0 463.607 4.159 50 0 JIAARN COc1ccc(NC(=O)CSc2nccc(N3CCN(c4ccccc4)CC3)n2)cc1Cl ZINC000033309883 569622714 /nfs/dbraw/zinc/62/27/14/569622714.db2.gz KWFSECOHRCGALD-UHFFFAOYSA-N 0 0 469.998 4.196 50 0 JIAARN O=C([C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1)N1CCc2ccccc2C1 ZINC000064611758 569623046 /nfs/dbraw/zinc/62/30/46/569623046.db2.gz SOXMWJLPHIKURE-NRFANRHFSA-N 0 0 470.598 4.453 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CSc1nnc2c3ccccc3nc(-c3ccc(OC)cc3)n12 ZINC000033328750 569624074 /nfs/dbraw/zinc/62/40/74/569624074.db2.gz KKWNMRDIOXADKT-UHFFFAOYSA-N 0 0 499.552 4.471 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccco4)n23)c1 ZINC000033328908 569624100 /nfs/dbraw/zinc/62/41/00/569624100.db2.gz CJFGNYAWRVCTCR-UHFFFAOYSA-N 0 0 461.503 4.286 50 0 JIAARN COc1cccc(CN2CCc3nc(SCC(=O)Nc4c(C)cc(C)cc4C)[nH]c(=O)c3C2)c1 ZINC000033331822 569624473 /nfs/dbraw/zinc/62/44/73/569624473.db2.gz ZGAIKVCGLLPHFF-UHFFFAOYSA-N 0 0 478.618 4.405 50 0 JIAARN Cc1cccc(-c2nc3sc(N(C)CC(=O)NCc4ccco4)nn3c2NC(C)(C)C)c1 ZINC000064703637 569624547 /nfs/dbraw/zinc/62/45/47/569624547.db2.gz GVLWXLGDFJJQNC-UHFFFAOYSA-N 0 0 452.584 4.322 50 0 JIAARN Cc1cccc(N2CCN(C(=O)CCCn3c(=O)c4cccn4c4ccc(F)cc43)C[C@H]2C)c1 ZINC000033332004 569624693 /nfs/dbraw/zinc/62/46/93/569624693.db2.gz FILUTDSFHZLGIK-HXUWFJFHSA-N 0 0 460.553 4.219 50 0 JIAARN CN(Cc1ccco1)C(=O)CN(C)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704292 569624835 /nfs/dbraw/zinc/62/48/35/569624835.db2.gz IMPFZQPWJURQRS-UHFFFAOYSA-N 0 0 470.574 4.495 50 0 JIAARN Cc1ccc(CNC(=O)CN(C)c2nn3c(nc(-c4ccccc4)c3NC(C)(C)C)s2)o1 ZINC000064704418 569624886 /nfs/dbraw/zinc/62/48/86/569624886.db2.gz XNZAAYQYTDTIEN-UHFFFAOYSA-N 0 0 452.584 4.322 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)cc1 ZINC000064712479 569625065 /nfs/dbraw/zinc/62/50/65/569625065.db2.gz PSULLBNOEJOQQU-UHFFFAOYSA-N 0 0 458.547 4.400 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCCC5)c4c3)CC2)c(C)c1 ZINC000064761677 569626265 /nfs/dbraw/zinc/62/62/65/569626265.db2.gz JQYCJXICEOJMTI-UHFFFAOYSA-N 0 0 480.634 4.146 50 0 JIAARN CC[C@H](C(=O)N1CCN(c2cc(Cl)ccc2C)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776103 569627888 /nfs/dbraw/zinc/62/78/88/569627888.db2.gz VYYAGKBXXOTMLJ-OAQYLSRUSA-N 0 0 477.996 4.150 50 0 JIAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2cccc(F)c2F)n(C)c(=O)n(C)c3=O)cc1 ZINC000064788185 569628284 /nfs/dbraw/zinc/62/82/84/569628284.db2.gz NKSCGCVBAUVNLU-QHCPKHFHSA-N 0 0 465.500 4.147 50 0 JIAARN O=C(c1ccccc1)N1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000064789613 569628357 /nfs/dbraw/zinc/62/83/57/569628357.db2.gz ZIVOYYJCQZILAI-UHFFFAOYSA-N 0 0 473.554 4.137 50 0 JIAARN COc1ccc(NC(=O)c2cccc(Nc3cc(C)nc4nc(-c5cccnc5)nn43)c2)cc1 ZINC000064791599 569629026 /nfs/dbraw/zinc/62/90/26/569629026.db2.gz WNBKUFZOYXGZNL-UHFFFAOYSA-N 0 0 451.490 4.499 50 0 JIAARN COc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000033625613 569629054 /nfs/dbraw/zinc/62/90/54/569629054.db2.gz TWLYCFDSYRQNHE-IZZNHLLZSA-N 0 0 456.590 4.145 50 0 JIAARN COc1ccc(NC(=O)CN2c3nnnn3[C@@H](c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 ZINC000064792910 569629377 /nfs/dbraw/zinc/62/93/77/569629377.db2.gz DOJGSJSPJBYGEZ-HSZRJFAPSA-N 0 0 472.936 4.424 50 0 JIAARN CCOc1ccccc1NC(=O)CN1c2nnnn2[C@H](c2ccc(C)cc2)C=C1c1ccccc1 ZINC000064793138 569629479 /nfs/dbraw/zinc/62/94/79/569629479.db2.gz AVXWCUFLMAZDKM-DEOSSOPVSA-N 0 0 466.545 4.469 50 0 JIAARN O=C(CN1c2nnnn2[C@@H](c2ccc(F)cc2)C=C1c1ccc(Cl)cc1)NCc1ccccc1 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490.582 4.162 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccccc4C)CC3)c(C)s2)no1 ZINC000035553848 569702638 /nfs/dbraw/zinc/70/26/38/569702638.db2.gz ONZMDPSHAAYXPA-UHFFFAOYSA-N 0 0 474.608 4.017 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccc(Cl)c4)C3)c(C)s2)no1 ZINC000035555229 569702769 /nfs/dbraw/zinc/70/27/69/569702769.db2.gz XJZBRVOIVPZALU-CQSZACIVSA-N 0 0 480.999 4.108 50 0 JIAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000035554478 569702773 /nfs/dbraw/zinc/70/27/73/569702773.db2.gz PFFXKOYFIYPUPS-UHFFFAOYSA-N 0 0 486.619 4.413 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cccc(CC)c4)C3)c(C)s2)no1 ZINC000035555690 569703025 /nfs/dbraw/zinc/70/30/25/569703025.db2.gz BQLHEYDABNOKRQ-KRWDZBQOSA-N 0 0 488.635 4.271 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccc(CC)c4)C3)c(C)s2)no1 ZINC000035555686 569703037 /nfs/dbraw/zinc/70/30/37/569703037.db2.gz BQLHEYDABNOKRQ-QGZVFWFLSA-N 0 0 488.635 4.271 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(C)cc4C)C3)c(C)s2)no1 ZINC000035555660 569703048 /nfs/dbraw/zinc/70/30/48/569703048.db2.gz NJXORTFQOIMXKK-KRWDZBQOSA-N 0 0 488.635 4.325 50 0 JIAARN COC(=O)c1cnn2c1NC(C)=C(C(=O)Nc1ccccc1OC)[C@@H]2c1ccc(Cl)cc1 ZINC000072332728 569703110 /nfs/dbraw/zinc/70/31/10/569703110.db2.gz QFIATLRXHMRPRD-FQEVSTJZSA-N 0 0 452.898 4.259 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4cc(C)ccc4C)CC3)c(C)s2)no1 ZINC000035556644 569703134 /nfs/dbraw/zinc/70/31/34/569703134.db2.gz KQNWJXCANPHTLY-UHFFFAOYSA-N 0 0 474.608 4.071 50 0 JIAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c2)no1 ZINC000035557945 569703390 /nfs/dbraw/zinc/70/33/90/569703390.db2.gz OCWDJQSNNDXEJP-UHFFFAOYSA-N 0 0 474.608 4.269 50 0 JIAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NCc2ccccc2)cc1 ZINC000035559513 569703854 /nfs/dbraw/zinc/70/38/54/569703854.db2.gz NVWTUYXEBQVQPL-VWLOTQADSA-N 0 0 491.613 4.030 50 0 JIAARN C[C@H](CCc1ccccc1)NC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1Cc1ccncc1 ZINC000035561552 569704432 /nfs/dbraw/zinc/70/44/32/569704432.db2.gz XPJAXUPVFWRSSP-HXUWFJFHSA-N 0 0 490.629 4.086 50 0 JIAARN Cc1ccccc1CNC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1Cc1ccccc1 ZINC000035561421 569704470 /nfs/dbraw/zinc/70/44/70/569704470.db2.gz BZAAEFQHWHIQRQ-UHFFFAOYSA-N 0 0 461.587 4.178 50 0 JIAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@@H](OC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000077100751 569704855 /nfs/dbraw/zinc/70/48/55/569704855.db2.gz SZRXIWXPEGTYNB-NHCUHLMSSA-N 0 0 476.570 4.226 50 0 JIAARN CCOC(=O)[C@@H]1CCc2sc(NC(=O)CN(C)c3nc4c(cccc4C(F)(F)F)s3)nc21 ZINC000077196831 569705022 /nfs/dbraw/zinc/70/50/22/569705022.db2.gz YJNALJQUCMCTAN-SNVBAGLBSA-N 0 0 484.525 4.439 50 0 JIAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 ZINC000035681488 569706642 /nfs/dbraw/zinc/70/66/42/569706642.db2.gz DRDJKERQFQRPAF-UHFFFAOYSA-N 0 0 461.301 4.358 50 0 JIAARN CC[C@H](C)[C@@H](NC(=O)Nc1ccc(OC)cc1)C(=O)N1CCN(C(=O)CCC2CCCC2)[C@H](C)C1 ZINC000035688285 569706870 /nfs/dbraw/zinc/70/68/70/569706870.db2.gz ZTHIYMQODDYRMO-WZOHSFFVSA-N 0 0 486.657 4.261 50 0 JIAARN COc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2cccs2)c1 ZINC000079106286 569706863 /nfs/dbraw/zinc/70/68/63/569706863.db2.gz HMRCOWWRMJAEKI-HXUWFJFHSA-N 0 0 455.561 4.120 50 0 JIAARN CCC(=O)NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000035686885 569706941 /nfs/dbraw/zinc/70/69/41/569706941.db2.gz INMLZSYSMPHSOY-AREMUKBSSA-N 0 0 493.648 4.459 50 0 JIAARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)Nc3ccccc3F)cc2)C(C(=O)OCCOC)=C1C ZINC000035711566 569708000 /nfs/dbraw/zinc/70/80/00/569708000.db2.gz ZEKNJJXWHQCFEE-JOCHJYFZSA-N 0 0 484.528 4.410 50 0 JIAARN O=C(Nc1nnc(-c2ccccc2)s1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000035725391 569708781 /nfs/dbraw/zinc/70/87/81/569708781.db2.gz NLEJQSBKUJEXEA-HXUWFJFHSA-N 0 0 464.572 4.150 50 0 JIAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1)NC1CCCCC1 ZINC000035729421 569708930 /nfs/dbraw/zinc/70/89/30/569708930.db2.gz BTGAJRXUJQWWPV-LJQANCHMSA-N 0 0 493.589 4.116 50 0 JIAARN CCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000035729374 569708972 /nfs/dbraw/zinc/70/89/72/569708972.db2.gz FNAXAFYDOPQMAD-SFHVURJKSA-N 0 0 466.563 4.180 50 0 JIAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(NC(=O)CCc3ccccc3)cc2)NC(=S)N1C ZINC000035729540 569709056 /nfs/dbraw/zinc/70/90/56/569709056.db2.gz MTRBBRLBLALGHY-QHCPKHFHSA-N 0 0 451.592 4.345 50 0 JIAARN O=C(NCc1cccc(CN2CCOCC2)c1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000084367305 569709141 /nfs/dbraw/zinc/70/91/41/569709141.db2.gz QAXIKXPTPBMDTE-RZFJZAQRSA-N 0 0 496.051 4.262 50 0 JIAARN CCOC(=O)C1=C(C)N(CC)C(=S)N[C@H]1c1cccc(NC(=O)c2c(OC)cccc2OC)c1 ZINC000035730453 569709273 /nfs/dbraw/zinc/70/92/73/569709273.db2.gz XKZZPFZFPOSIJN-QFIPXVFZSA-N 0 0 483.590 4.044 50 0 JIAARN COCCCN(CC(=O)N(Cc1ccco1)Cc1ccccc1)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000035766345 569709915 /nfs/dbraw/zinc/70/99/15/569709915.db2.gz JOWDDDCGVCNSDT-UHFFFAOYSA-N 0 0 495.576 4.396 50 0 JIAARN COc1cc2nc(C3CCCC3)nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2cc1OC ZINC000085425826 569710887 /nfs/dbraw/zinc/71/08/87/569710887.db2.gz YNUBZIXHSIXZPR-UHFFFAOYSA-N 0 0 476.577 4.356 50 0 JIAARN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)C2)c(C)c1C(=O)OC(C)C ZINC000085621499 569711329 /nfs/dbraw/zinc/71/13/29/569711329.db2.gz VQCGJVHDCFXCGM-PGRDOPGGSA-N 0 0 467.610 4.186 50 0 JIAARN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3Cl)C2)c(C)c1C(=O)OC(C)C ZINC000085621377 569711344 /nfs/dbraw/zinc/71/13/44/569711344.db2.gz SBSPJTKOFJAYMN-GOSISDBHSA-N 0 0 459.974 4.019 50 0 JIAARN CCOCCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000035806615 569711531 /nfs/dbraw/zinc/71/15/31/569711531.db2.gz VNPRFFOUEQRSMV-UHFFFAOYSA-N 0 0 452.511 4.063 50 0 JIAARN O=C(Nc1ccc(Cl)cc1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000085643682 569711918 /nfs/dbraw/zinc/71/19/18/569711918.db2.gz HEEMWVGSHZTONR-UHFFFAOYSA-N 0 0 479.986 4.304 50 0 JIAARN COc1ccccc1Cc1nc2c(c(N3CCOCC3)n1)CN(C(=O)c1cccc3ccccc31)CC2 ZINC000035828935 569712762 /nfs/dbraw/zinc/71/27/62/569712762.db2.gz AMOMJHLSJYSZHM-UHFFFAOYSA-N 0 0 494.595 4.264 50 0 JIAARN COc1ccc(OC)c(NC(=O)N2CCc3c(sc4nc(-c5ccc(F)cc5)nn43)C2)c1 ZINC000085651440 569713173 /nfs/dbraw/zinc/71/31/73/569713173.db2.gz QCGOBFDXTSPQDT-UHFFFAOYSA-N 0 0 453.499 4.204 50 0 JIAARN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(OC)c3)C(=O)COc3ccccc3)C2)cc1 ZINC000035835821 569713464 /nfs/dbraw/zinc/71/34/64/569713464.db2.gz YCHIUNUQAHWPCF-RUZDIDTESA-N 0 0 460.530 4.305 50 0 JIAARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)c(Br)c1 ZINC000085690702 569714952 /nfs/dbraw/zinc/71/49/52/569714952.db2.gz FLQFTEXLLSFFIO-HNNXBMFYSA-N 0 0 468.355 4.034 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)COc2ccc(OC)cc2)c1C ZINC000085711295 569714963 /nfs/dbraw/zinc/71/49/63/569714963.db2.gz YCXCAAKRFIVHBD-UHFFFAOYSA-N 0 0 480.561 4.433 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1C ZINC000085712409 569715160 /nfs/dbraw/zinc/71/51/60/569715160.db2.gz MIKZYGBTQJBGJN-UHFFFAOYSA-N 0 0 497.617 4.466 50 0 JIAARN CCCc1ccc(S(=O)(=O)N(Cc2c(C)[nH]c(C(=O)OCC)c2C)C[C@H]2CCCO2)cc1 ZINC000085712700 569715329 /nfs/dbraw/zinc/71/53/29/569715329.db2.gz DGFJIADMJAHKCU-HXUWFJFHSA-N 0 0 462.612 4.131 50 0 JIAARN COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(OC)cc5)coc-4c32)cc1 ZINC000085879790 569716507 /nfs/dbraw/zinc/71/65/07/569716507.db2.gz DRGAGIFQHMGHEJ-SFHVURJKSA-N 0 0 472.449 4.402 50 0 biogenic JIAARN Cc1c(-c2nc(-c3ccccc3Cl)no2)sc2ncn(CC(=O)N3CCC[C@@H](C)C3)c(=O)c12 ZINC000085942266 569716688 /nfs/dbraw/zinc/71/66/88/569716688.db2.gz KUJKGXVAXJKBBQ-CYBMUJFWSA-N 0 0 483.981 4.395 50 0 JIAARN CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)ccc1OC ZINC000086057691 569717523 /nfs/dbraw/zinc/71/75/23/569717523.db2.gz GGRZDMLYHXXXPR-OAHLLOKOSA-N 0 0 455.511 4.083 50 0 JIAARN CCCc1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccccc4)CC2)n1)CC[C@@H](C)C3 ZINC000035867921 569717806 /nfs/dbraw/zinc/71/78/06/569717806.db2.gz VAHMFIQSNWOTLF-QGZVFWFLSA-N 0 0 470.664 4.280 50 0 JIAARN CN(c1ccc(OC(=O)c2cccc(I)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000089365280 569718136 /nfs/dbraw/zinc/71/81/36/569718136.db2.gz UNZWWIHMHKJMFM-UHFFFAOYSA-N 0 0 493.322 4.336 50 0 JIAARN O=C(NCc1ccncc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000035871311 569718641 /nfs/dbraw/zinc/71/86/41/569718641.db2.gz MVYSHKFUKIOAFK-UPVQGACJSA-N 0 0 484.497 4.423 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)c1 ZINC000089614349 569719071 /nfs/dbraw/zinc/71/90/71/569719071.db2.gz QUORZTWVAWQKES-JOCHJYFZSA-N 0 0 477.630 4.304 50 0 JIAARN CC[C@@H]1Oc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2CN(Cc2ccc3c(c2)OCO3)C1=O ZINC000035883378 569720084 /nfs/dbraw/zinc/72/00/84/569720084.db2.gz PAYKDHLJDVPOAW-FQEVSTJZSA-N 0 0 488.496 4.096 50 0 JIAARN COc1ccccc1CCN1Cc2cc(NC(=O)c3ccccc3OC)ccc2O[C@H](C)C1=O ZINC000035884850 569720264 /nfs/dbraw/zinc/72/02/64/569720264.db2.gz NOGZEUWXSOSLNV-GOSISDBHSA-N 0 0 460.530 4.308 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 ZINC000089893427 569720319 /nfs/dbraw/zinc/72/03/19/569720319.db2.gz NPRGLXZPZZDMFK-INIZCTEOSA-N 0 0 484.449 4.450 50 0 JIAARN CCOC(=O)N1CCN(C(=O)C[C@H](c2c[nH]c3c2cccc3CC)c2cccc3c2OCO3)CC1 ZINC000035908207 569724024 /nfs/dbraw/zinc/72/40/24/569724024.db2.gz RACDUSWDXKYQRT-NRFANRHFSA-N 0 0 477.561 4.282 50 0 JIAARN COc1ccc(-c2nc(C)c(C(=O)N3CCC(c4nnc5ccccn54)CC3)s2)cc1OC ZINC000095474697 569724218 /nfs/dbraw/zinc/72/42/18/569724218.db2.gz GPGFDCJGNCEJLH-UHFFFAOYSA-N 0 0 463.563 4.198 50 0 JIAARN Cc1nc2c3ccc(Br)cc3nn2c(C)c1CCC(=O)NCCc1nccs1 ZINC000095479595 569724623 /nfs/dbraw/zinc/72/46/23/569724623.db2.gz YZVJXUAHDPADEB-UHFFFAOYSA-N 0 0 458.385 4.010 50 0 JIAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000095479437 569724625 /nfs/dbraw/zinc/72/46/25/569724625.db2.gz XQAJDNZPJDELPV-RQJHXWCTSA-N 0 0 495.623 4.463 50 0 JIAARN COc1ccccc1-c1noc(CCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1 ZINC000095481908 569724833 /nfs/dbraw/zinc/72/48/33/569724833.db2.gz PUBAHBOJBPLWMR-UHFFFAOYSA-N 0 0 498.605 4.271 50 0 JIAARN COc1cccc(CN2Cc3cc(NC(=O)c4cccnc4Cl)ccc3O[C@H](C)C2=O)c1OC ZINC000035909763 569724976 /nfs/dbraw/zinc/72/49/76/569724976.db2.gz VUKDOASCPFZUGL-OAHLLOKOSA-N 0 0 481.936 4.314 50 0 JIAARN COc1ccc(CN2Cc3cc(NC(=O)Cc4ccc(F)cc4)ccc3O[C@H](C)C2=O)c(OC)c1 ZINC000035909797 569725025 /nfs/dbraw/zinc/72/50/25/569725025.db2.gz XEXQUDVRBOPTCS-QGZVFWFLSA-N 0 0 478.520 4.334 50 0 JIAARN COc1ccc(CN2Cc3cc(NC(=O)c4ccccc4OC)ccc3O[C@@H](C)C2=O)c(OC)c1 ZINC000035909820 569725064 /nfs/dbraw/zinc/72/50/64/569725064.db2.gz QPUBNTBTDOBJFI-KRWDZBQOSA-N 0 0 476.529 4.274 50 0 JIAARN COc1ccc(CN2Cc3cc(NC(=O)c4ccc(F)cc4F)ccc3OCC2=O)c(OC)c1 ZINC000035909861 569725104 /nfs/dbraw/zinc/72/51/04/569725104.db2.gz YWWHSEOCXKWZGE-UHFFFAOYSA-N 0 0 468.456 4.156 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccc(F)cc4)n3c2=O)nn1-c1ccccc1 ZINC000035911567 569726724 /nfs/dbraw/zinc/72/67/24/569726724.db2.gz OEHQIWHZZMOLAS-UHFFFAOYSA-N 0 0 487.560 4.224 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccccc4)n3c2=O)nn1-c1cccc(C)c1 ZINC000035911859 569726922 /nfs/dbraw/zinc/72/69/22/569726922.db2.gz PNYFECPYPMAEJS-UHFFFAOYSA-N 0 0 483.597 4.393 50 0 JIAARN CC[C@H](C)NC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cccc(C)c4C)n3)c(=O)n12 ZINC000035912003 569727060 /nfs/dbraw/zinc/72/70/60/569727060.db2.gz KBDNYRCZYRUUSF-HNNXBMFYSA-N 0 0 463.607 4.300 50 0 JIAARN Cc1ccsc1CN1CCc2nc(N3CCN(C)CC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000095547272 569727355 /nfs/dbraw/zinc/72/73/55/569727355.db2.gz KISXVCXDIKOHOQ-UHFFFAOYSA-N 0 0 453.587 4.088 50 0 JIAARN CCc1nc(-c2ccccc2)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1ccc(OC)cc1 ZINC000095550779 569727572 /nfs/dbraw/zinc/72/75/72/569727572.db2.gz FBDOKYUYDIYIJT-UHFFFAOYSA-N 0 0 459.594 4.109 50 0 JIAARN CCOc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(CCc3ccccc3)c4=O)n2)cc1 ZINC000095613894 569728222 /nfs/dbraw/zinc/72/82/22/569728222.db2.gz QRTKDTKMBFJDBT-UHFFFAOYSA-N 0 0 454.486 4.048 50 0 JIAARN COc1ccccc1-c1cc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)[nH]n1 ZINC000095614176 569728235 /nfs/dbraw/zinc/72/82/35/569728235.db2.gz IBFKNQXYYNSPHM-UHFFFAOYSA-N 0 0 452.514 4.218 50 0 JIAARN Cc1ccc(CNC(=O)c2ccc(-n3ccnc3SCC(=O)NC3CCCCC3)cc2)o1 ZINC000095626468 569728347 /nfs/dbraw/zinc/72/83/47/569728347.db2.gz YPDMLGNRIJIITP-UHFFFAOYSA-N 0 0 452.580 4.245 50 0 JIAARN CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)CCC(=O)OCC)CC2)n1 ZINC000035925959 569729231 /nfs/dbraw/zinc/72/92/31/569729231.db2.gz MYWLAJKIOMWLNI-HXUWFJFHSA-N 0 0 492.624 4.101 50 0 JIAARN CN1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)N4CCCC4)cc3)n2)CC1 ZINC000095925582 569730206 /nfs/dbraw/zinc/73/02/06/569730206.db2.gz WGSSQXYOHXYGJH-UHFFFAOYSA-N 0 0 453.656 4.054 50 0 JIAARN COc1ccc(C(=O)/N=c2\sc(C)c(C)n2Cc2cccc(C(=O)N3CCCC3)c2)cc1OC ZINC000095927244 569730444 /nfs/dbraw/zinc/73/04/44/569730444.db2.gz VJLCRVZKVMSBDJ-RQZHXJHFSA-N 0 0 479.602 4.209 50 0 JIAARN CC(C)C[C@H](C)N(c1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000095946631 569731089 /nfs/dbraw/zinc/73/10/89/569731089.db2.gz DDHGRRVVMCXQBA-KRWDZBQOSA-N 0 0 475.636 4.239 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSC2=Nc3ccccc3CS2)CC1 ZINC000095950602 569731487 /nfs/dbraw/zinc/73/14/87/569731487.db2.gz BIWWXBGOSBPMCW-UHFFFAOYSA-N 0 0 468.648 4.054 50 0 JIAARN COc1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cc2c1OCO2 ZINC000096114699 569733714 /nfs/dbraw/zinc/73/37/14/569733714.db2.gz LSUIFTBMFOTOST-RDPSFJRHSA-N 0 0 457.438 4.062 50 0 biogenic JIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000096114959 569734021 /nfs/dbraw/zinc/73/40/21/569734021.db2.gz KCOOFAKNTJALDQ-RDGATRHJSA-N 0 0 473.481 4.350 50 0 biogenic JIAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)cc1OC ZINC000035947057 569734188 /nfs/dbraw/zinc/73/41/88/569734188.db2.gz GADHNSVWQJFLLP-NRFANRHFSA-N 0 0 469.557 4.415 50 0 JIAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(C)C(=O)c2cccs2)cc1OC ZINC000035947050 569734253 /nfs/dbraw/zinc/73/42/53/569734253.db2.gz SCPLXSDLCLWNJL-HXUWFJFHSA-N 0 0 481.549 4.354 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F)C(=O)NC(C)(C)C ZINC000035947235 569734399 /nfs/dbraw/zinc/73/43/99/569734399.db2.gz DSEYOTAFSOLAFV-QFIPXVFZSA-N 0 0 472.536 4.099 50 0 JIAARN Cn1c2ccccc2cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c1=O ZINC000096115511 569734461 /nfs/dbraw/zinc/73/44/61/569734461.db2.gz SHZHWTSBTGZIOS-KRWDZBQOSA-N 0 0 465.461 4.459 50 0 biogenic JIAARN Cc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1C ZINC000035947819 569734768 /nfs/dbraw/zinc/73/47/68/569734768.db2.gz MDGSNGXBSAJNIU-QHCPKHFHSA-N 0 0 461.562 4.358 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@H](c3ccccc3OC)C2)cc1 ZINC000035947725 569734774 /nfs/dbraw/zinc/73/47/74/569734774.db2.gz FDDJUOBDRKKTGL-DEOSSOPVSA-N 0 0 475.520 4.293 50 0 JIAARN COc1ccccc1[C@H]1CC(c2cccs2)=NN1C(=O)CN(C)C(=O)c1ccccc1F ZINC000035948458 569735383 /nfs/dbraw/zinc/73/53/83/569735383.db2.gz LPSAVXNNXNRAPC-HXUWFJFHSA-N 0 0 451.523 4.346 50 0 JIAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1 ZINC000035948894 569735703 /nfs/dbraw/zinc/73/57/03/569735703.db2.gz KTHZZLGQSNBYGD-IBGZPJMESA-N 0 0 463.003 4.147 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccco3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000035960486 569736387 /nfs/dbraw/zinc/73/63/87/569736387.db2.gz QEWQTDNQBUQSJG-OAQYLSRUSA-N 0 0 451.910 4.392 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccs3)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000035960526 569736516 /nfs/dbraw/zinc/73/65/16/569736516.db2.gz UAUIMNJHAUVPFQ-OAQYLSRUSA-N 0 0 481.549 4.354 50 0 JIAARN COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(C)C(=O)c2cccs2)cc1 ZINC000035960959 569736596 /nfs/dbraw/zinc/73/65/96/569736596.db2.gz YBIDRVAHXQQZEB-JOCHJYFZSA-N 0 0 493.585 4.224 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)NC(C)(C)C)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000035960678 569736613 /nfs/dbraw/zinc/73/66/13/569736613.db2.gz CNQIOROITZGZTJ-OAQYLSRUSA-N 0 0 456.974 4.466 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1OC)C(=O)c1cccs1 ZINC000035961041 569736727 /nfs/dbraw/zinc/73/67/27/569736727.db2.gz GPJHLQCYHGVFQT-JOCHJYFZSA-N 0 0 495.576 4.362 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccccc2)cc1 ZINC000035961123 569736827 /nfs/dbraw/zinc/73/68/27/569736827.db2.gz AVTUHSRJWIEMKS-RUZDIDTESA-N 0 0 487.556 4.162 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1)C(=O)CC(C)(C)C ZINC000035961621 569737091 /nfs/dbraw/zinc/73/70/91/569737091.db2.gz KEFDIDSGBABBGE-HSZRJFAPSA-N 0 0 453.558 4.415 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1)C(=O)C1CCCC1 ZINC000035961629 569737227 /nfs/dbraw/zinc/73/72/27/569737227.db2.gz OHIGFAZQTWCDGN-XMMPIXPASA-N 0 0 451.542 4.169 50 0 JIAARN O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000096203320 569737292 /nfs/dbraw/zinc/73/72/92/569737292.db2.gz XTYVQZWYFSOYDL-UHFFFAOYSA-N 0 0 487.984 4.171 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(C)cc1)C(=O)NC(C)(C)C ZINC000035963084 569737853 /nfs/dbraw/zinc/73/78/53/569737853.db2.gz QSVQRYSHLQYCCS-XMMPIXPASA-N 0 0 480.609 4.138 50 0 JIAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CN(C(=O)C2CCCC2)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000096211284 569738284 /nfs/dbraw/zinc/73/82/84/569738284.db2.gz BGYNBLHFMMVTHM-NHCUHLMSSA-N 0 0 488.506 4.483 50 0 JIAARN CCN(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1CC(C)C)C(=S)NC1CC1 ZINC000036032037 569752107 /nfs/dbraw/zinc/75/21/07/569752107.db2.gz SGMBOTPNRDZEPE-UHFFFAOYSA-N 0 0 469.076 4.025 50 0 JIAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)o1 ZINC000096845425 569743432 /nfs/dbraw/zinc/74/34/32/569743432.db2.gz GTPHMZBGRRCQBI-UHFFFAOYSA-N 0 0 470.455 4.436 50 0 JIAARN Nc1nc(N)nc(CSC2=N/C(=C/c3ccc(Cl)c(Cl)c3)C(=O)N2c2ccccc2F)n1 ZINC000096887757 569743523 /nfs/dbraw/zinc/74/35/23/569743523.db2.gz VAGJMEWABNWNBY-RIYZIHGNSA-N 0 0 490.351 4.159 50 0 JIAARN CCc1nc2c(c(C)nn2-c2ccccc2Cl)c(N2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000035990273 569744093 /nfs/dbraw/zinc/74/40/93/569744093.db2.gz RJPACRSPSREYHY-UHFFFAOYSA-N 0 0 478.959 4.441 50 0 JIAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)C3CC3)cc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000035992034 569744770 /nfs/dbraw/zinc/74/47/70/569744770.db2.gz HZTMTDLETREUDJ-XMMPIXPASA-N 0 0 488.632 4.114 50 0 JIAARN CCC(=O)Nc1ccc(N2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)c(C(=O)N2CCCC2)c1 ZINC000035992030 569744786 /nfs/dbraw/zinc/74/47/86/569744786.db2.gz JFNXGYVQCMTXMP-HSZRJFAPSA-N 0 0 476.621 4.114 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)CN(Cc2ccc(F)cc2)C(=O)c2cccc(OC)c2)c(C)n1C ZINC000035992615 569745078 /nfs/dbraw/zinc/74/50/78/569745078.db2.gz TVXFMGCGVVAJDF-UHFFFAOYSA-N 0 0 480.536 4.492 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)CN(Cc2ccncc2)C(=O)c2ccc(Cl)cc2)c(C)n1C ZINC000035993154 569745293 /nfs/dbraw/zinc/74/52/93/569745293.db2.gz AAWVFPLHWILZIZ-UHFFFAOYSA-N 0 0 467.953 4.392 50 0 JIAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)C3CC3)cc2C(=O)N(CC)CC)CC1)c1ccccc1 ZINC000036001147 569745871 /nfs/dbraw/zinc/74/58/71/569745871.db2.gz FJCMMFAUZUVWGR-XMMPIXPASA-N 0 0 490.648 4.360 50 0 JIAARN COCc1nc2c(c(C)nn2-c2ccccc2)c(NC2CCC(NC(=O)c3ccccc3)CC2)n1 ZINC000036001976 569746055 /nfs/dbraw/zinc/74/60/55/569746055.db2.gz DMBLDGALYJOBPB-UHFFFAOYSA-N 0 0 470.577 4.423 50 0 JIAARN Cc1nc2c(cnn2-c2cccc(Cl)c2)c(N2CCCN(C(=O)c3cccs3)CC2)n1 ZINC000036002120 569746150 /nfs/dbraw/zinc/74/61/50/569746150.db2.gz VWOFJLPTBYWAGF-UHFFFAOYSA-N 0 0 452.971 4.191 50 0 JIAARN CC(C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000036002985 569746400 /nfs/dbraw/zinc/74/64/00/569746400.db2.gz VDSLZZGKIFDLEM-UHFFFAOYSA-N 0 0 458.541 4.431 50 0 JIAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)Nc5ccc(Cl)cc5)CC4)c3CO2)cc1 ZINC000097943811 569746666 /nfs/dbraw/zinc/74/66/66/569746666.db2.gz AKQGOHOETFRDNQ-QFIPXVFZSA-N 0 0 479.968 4.002 50 0 JIAARN CC(C)C(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(C)C ZINC000036013514 569748618 /nfs/dbraw/zinc/74/86/18/569748618.db2.gz UBCLDZCMDBHPPK-UHFFFAOYSA-N 0 0 483.588 4.011 50 0 JIAARN COc1cc(/C=C\C(=O)Nc2ccc(-n3cncn3)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000098004639 569749442 /nfs/dbraw/zinc/74/94/42/569749442.db2.gz GIZMUMGTMMUPHF-NSIKDUERSA-N 0 0 490.541 4.004 50 0 JIAARN CCn1c(C)c(C(=O)CN(CCC(C)C)C(=O)c2ccc3c(c2)OCO3)c(C)c1C(=O)OC ZINC000036018784 569749666 /nfs/dbraw/zinc/74/96/66/569749666.db2.gz ZACBGIJVFFSAEZ-UHFFFAOYSA-N 0 0 456.539 4.011 50 0 JIAARN CC(C)CC(=O)Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(C(=O)N2CCCCC2)c1 ZINC000036019400 569749861 /nfs/dbraw/zinc/74/98/61/569749861.db2.gz GGLJXHUDNGUMKI-UHFFFAOYSA-N 0 0 468.642 4.136 50 0 JIAARN Cc1nn(-c2ccccc2C)c2nc(C)nc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c12 ZINC000036019688 569750054 /nfs/dbraw/zinc/75/00/54/569750054.db2.gz UICOFXWVMOBSHZ-UHFFFAOYSA-N 0 0 460.969 4.357 50 0 JIAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=O)Cc2ccccc2)cc1 ZINC000036021780 569750182 /nfs/dbraw/zinc/75/01/82/569750182.db2.gz GHQVQNCLLNGZAB-RUZDIDTESA-N 0 0 460.574 4.171 50 0 JIAARN COc1cccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=O)Cc2ccccc2)c1 ZINC000036021421 569750189 /nfs/dbraw/zinc/75/01/89/569750189.db2.gz GBDGRAUAKLAHJH-RUZDIDTESA-N 0 0 460.574 4.171 50 0 JIAARN CCc1nc2c(c(C)nn2-c2ccccc2C)c(N2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000036025974 569750789 /nfs/dbraw/zinc/75/07/89/569750789.db2.gz DXDKHDWUFQKUDK-UHFFFAOYSA-N 0 0 458.541 4.096 50 0 JIAARN COc1ccc(NC(=S)N2CCC3(CC2)N[C@@H](CC(C)C)C(=O)N3Cc2ccc(F)cc2)cc1 ZINC000036029853 569751317 /nfs/dbraw/zinc/75/13/17/569751317.db2.gz RIICLUWWWBPDNK-QHCPKHFHSA-N 0 0 484.641 4.370 50 0 JIAARN CC(=O)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1 ZINC000036040161 569752960 /nfs/dbraw/zinc/75/29/60/569752960.db2.gz RPRYPZKSPSTXFG-UHFFFAOYSA-N 0 0 463.559 4.047 50 0 JIAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)CC(C)C ZINC000036040548 569753103 /nfs/dbraw/zinc/75/31/03/569753103.db2.gz QACBTWWQJCGTLI-UHFFFAOYSA-N 0 0 486.613 4.232 50 0 JIAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C(=O)NC(C)(C)C)C3CC3)n2CC(C)C)c1 ZINC000036040481 569753114 /nfs/dbraw/zinc/75/31/14/569753114.db2.gz QJTLMMUNADTNAP-UHFFFAOYSA-N 0 0 460.644 4.294 50 0 JIAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(CC(C)C)C(=O)NC(C)C)n2CC(C)C)c1 ZINC000036040472 569753134 /nfs/dbraw/zinc/75/31/34/569753134.db2.gz OOEYUNVXQDWRMK-UHFFFAOYSA-N 0 0 462.660 4.397 50 0 JIAARN CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1CC(C)C)CC(C)C ZINC000036040615 569753242 /nfs/dbraw/zinc/75/32/42/569753242.db2.gz XTCMVLFHOMJLPQ-UHFFFAOYSA-N 0 0 464.701 4.174 50 0 JIAARN CC(C)NC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C1CC1 ZINC000036040720 569753365 /nfs/dbraw/zinc/75/33/65/569753365.db2.gz JNWMXOZTSZQOMI-UHFFFAOYSA-N 0 0 482.675 4.153 50 0 JIAARN COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)Cc2ccccc2)C2CC2)cc1 ZINC000036040852 569753461 /nfs/dbraw/zinc/75/34/61/569753461.db2.gz JUCSYTBLNGOZLZ-UHFFFAOYSA-N 0 0 480.568 4.720 50 0 JIAARN CCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)NC(C)(C)C)C2CC2)c1 ZINC000036042567 569753994 /nfs/dbraw/zinc/75/39/94/569753994.db2.gz DQKOFEGFWTWADA-UHFFFAOYSA-N 0 0 475.593 4.849 50 0 JIAARN CC(C)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C(C)C)C(=O)NC(C)(C)C ZINC000036042838 569754165 /nfs/dbraw/zinc/75/41/65/569754165.db2.gz SSNJPMXKMQLTGI-UHFFFAOYSA-N 0 0 452.596 4.296 50 0 JIAARN COc1cc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NCCC(C)C)cc(OC)c1OC ZINC000036044396 569754995 /nfs/dbraw/zinc/75/49/95/569754995.db2.gz SGNBWIQZBKECLK-SFTDATJTSA-N 0 0 489.012 4.384 50 0 JIAARN 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C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)c1cc2ccccc2o1 ZINC000009596718 194795398 /nfs/dbraw/zinc/79/53/98/194795398.db2.gz PQXGJRZBQQLINF-YOEHRIQHSA-N 0 0 462.955 4.035 50 0 JIAARN COc1cc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)cc(OC)c1OC ZINC000009598521 194798318 /nfs/dbraw/zinc/79/83/18/194798318.db2.gz QQEOEIDUIZAXKM-RPWUZVMVSA-N 0 0 458.514 4.188 50 0 JIAARN Cc1ccc(CNC(=O)CCCn2c(=O)c3sccc3n(Cc3ccccc3Cl)c2=O)cc1 ZINC000009598709 194798509 /nfs/dbraw/zinc/79/85/09/194798509.db2.gz JGJAFKCXGGRZNF-UHFFFAOYSA-N 0 0 482.005 4.331 50 0 JIAARN O=C(CCCCCn1c(=O)c2sccc2n(Cc2ccc(F)cc2)c1=O)NCc1ccccc1 ZINC000009598914 194799005 /nfs/dbraw/zinc/79/90/05/194799005.db2.gz RLTYWKNNVDLHMB-UHFFFAOYSA-N 0 0 479.577 4.289 50 0 JIAARN Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1cc(Cl)ccc1C ZINC000009599082 194799576 /nfs/dbraw/zinc/79/95/76/194799576.db2.gz CKBKESVRZJYUKN-UHFFFAOYSA-N 0 0 467.978 4.490 50 0 JIAARN O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21)N[C@H]1CCCc2ccccc21 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ATCAWBFYQVHFSZ-AWEZNQCLSA-N 0 0 491.386 4.369 50 0 JIAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3cccc(C(F)(F)F)c3)cc2)C1 ZINC000012648714 195075026 /nfs/dbraw/zinc/07/50/26/195075026.db2.gz WHAPVFKOWJPVDS-HZPDHXFCSA-N 0 0 483.508 4.412 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(-c3ccccc3)nc3ccccn32)c1 ZINC000012627279 195059926 /nfs/dbraw/zinc/05/99/26/195059926.db2.gz KUQQFTKTFAGCOC-UHFFFAOYSA-N 0 0 454.939 4.157 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)CCN4C(C)=O)cc2)cc1 ZINC000012631384 195063812 /nfs/dbraw/zinc/06/38/12/195063812.db2.gz ISWFARBTGRUYFG-UHFFFAOYSA-N 0 0 479.558 4.047 50 0 JIAARN Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)cc1 ZINC000012662063 195081311 /nfs/dbraw/zinc/08/13/11/195081311.db2.gz KIUNBPXKLIUGOK-UHFFFAOYSA-N 0 0 477.538 4.351 50 0 biogenic JIAARN COCCCn1c(C)cc(C(=O)COC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c1C ZINC000012670586 195081750 /nfs/dbraw/zinc/08/17/50/195081750.db2.gz UXQDBKUXFBHYDR-WOJBJXKFSA-N 0 0 498.620 4.349 50 0 JIAARN NC(=O)c1c2c(sc1NC(=O)CN1CCC(c3nc4ccccc4s3)CC1)CCCC2 ZINC000012676420 195082394 /nfs/dbraw/zinc/08/23/94/195082394.db2.gz NVJNZWOMNFPLCA-UHFFFAOYSA-N 0 0 454.621 4.154 50 0 JIAARN O=C(CN1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c32)CC1)N1CCCC1 ZINC000012679480 195083542 /nfs/dbraw/zinc/08/35/42/195083542.db2.gz HLLQDNZOCDQCGE-UHFFFAOYSA-N 0 0 484.629 4.165 50 0 JIAARN COc1ccc([C@H](CNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)N2CCOCC2)cc1 ZINC000012679921 195083893 /nfs/dbraw/zinc/08/38/93/195083893.db2.gz FZQMBQGIMDEDKK-QHCPKHFHSA-N 0 0 483.012 4.014 50 0 JIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000012680556 195084032 /nfs/dbraw/zinc/08/40/32/195084032.db2.gz HMPAQBNSOHWLCS-UHFFFAOYSA-N 0 0 486.572 4.237 50 0 JIAARN COc1ccc([C@H](CNC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)N2CCCCC2)cc1 ZINC000012687075 195086291 /nfs/dbraw/zinc/08/62/91/195086291.db2.gz JUDAUVJXJJZPCF-QHCPKHFHSA-N 0 0 466.578 4.163 50 0 JIAARN CCOc1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1S(=O)(=O)N(C)C ZINC000012690590 195088150 /nfs/dbraw/zinc/08/81/50/195088150.db2.gz PJQXPFLUVKUFPO-UHFFFAOYSA-N 0 0 465.984 4.365 50 0 JIAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012691455 195088708 /nfs/dbraw/zinc/08/87/08/195088708.db2.gz QPBWWZRLTRSDCH-MDWZMJQESA-N 0 0 497.486 4.043 50 0 JIAARN C[C@H](NC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1cccc(F)c1)c1ccccc1 ZINC000012695224 195089832 /nfs/dbraw/zinc/08/98/32/195089832.db2.gz ZSEMSTWIYACUAY-INIZCTEOSA-N 0 0 476.537 4.023 50 0 JIAARN O=C(c1oc2ccccc2c1COc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012695762 195090189 /nfs/dbraw/zinc/09/01/89/195090189.db2.gz RNDTYICDXYDBDM-UHFFFAOYSA-N 0 0 494.544 4.298 50 0 JIAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(-n4cccn4)nc3)[C@@H]2c2ccccc2OC)cc1 ZINC000012739121 195100272 /nfs/dbraw/zinc/10/02/72/195100272.db2.gz UZVWEDJAOFFFGC-KCWPFWIISA-N 0 0 497.555 4.408 50 0 JIAARN Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000012727997 195097908 /nfs/dbraw/zinc/09/79/08/195097908.db2.gz ZYEGXAHPWUOHEB-INIZCTEOSA-N 0 0 458.653 4.470 50 0 JIAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000012732207 195099123 /nfs/dbraw/zinc/09/91/23/195099123.db2.gz GPFOQKVKUBADNS-HNNXBMFYSA-N 0 0 499.445 4.339 50 0 JIAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2csc(-c3ccc(C)cc3)n2)CC1 ZINC000012746181 195102715 /nfs/dbraw/zinc/10/27/15/195102715.db2.gz FVLFFUHBNNDNJO-NRFANRHFSA-N 0 0 469.994 4.444 50 0 JIAARN O=C(NCc1nnc2n1CCCCC2)c1cccnc1Sc1ccc(Br)cc1 ZINC000012747953 195103775 /nfs/dbraw/zinc/10/37/75/195103775.db2.gz IXMRQYYFSIUGLX-UHFFFAOYSA-N 0 0 458.385 4.243 50 0 JIAARN Nc1c(N(CCC2=CCCCC2)C(=O)c2ccccc2Cl)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000012749950 195105021 /nfs/dbraw/zinc/10/50/21/195105021.db2.gz FUUSOGKNJLZNFS-UHFFFAOYSA-N 0 0 478.980 4.358 50 0 JIAARN COc1ccc(-c2nc(NC(=O)CSc3nncn3-c3ccc(OC)cc3)sc2C)cc1 ZINC000012755993 195108345 /nfs/dbraw/zinc/10/83/45/195108345.db2.gz LAHONYGQSXMTAQ-UHFFFAOYSA-N 0 0 467.576 4.447 50 0 JIAARN O=C(Cc1sc(N2CCCCC2)nc1O)Nc1cccc(C(=O)N2CCC[C@@H]2c2ccccc2)c1 ZINC000012756755 195108958 /nfs/dbraw/zinc/10/89/58/195108958.db2.gz PRZQNNSGQNZVJB-PKTZIBPZSA-N 0 0 490.629 4.476 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2nc3cc(Cl)ccc3s2)CC1 ZINC000012757917 195109342 /nfs/dbraw/zinc/10/93/42/195109342.db2.gz SVFQHMKAFAUYSQ-UHFFFAOYSA-N 0 0 489.066 4.442 50 0 JIAARN O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012763977 195112584 /nfs/dbraw/zinc/11/25/84/195112584.db2.gz NWSIRPRYNGGMQV-UHFFFAOYSA-N 0 0 482.455 4.251 50 0 JIAARN CCc1ccc(-c2csc(NC(=O)COC(=O)c3cccc(CN4C(=O)CSC4=O)c3)n2)cc1 ZINC000012765880 195113572 /nfs/dbraw/zinc/11/35/72/195113572.db2.gz PRJQCVSESCOAPT-UHFFFAOYSA-N 0 0 495.582 4.363 50 0 JIAARN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000012765897 195113639 /nfs/dbraw/zinc/11/36/39/195113639.db2.gz WKDNHYFKCXLDRI-OAHLLOKOSA-N 0 0 459.511 4.137 50 0 JIAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O ZINC000012768545 195115940 /nfs/dbraw/zinc/11/59/40/195115940.db2.gz YJQOYHWLMVBRSE-UHFFFAOYSA-N 0 0 473.360 4.257 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H]3CCCC3=O)n2Cc2ccccc2)c1 ZINC000012769058 195116241 /nfs/dbraw/zinc/11/62/41/195116241.db2.gz USQHQLIITPNYJF-QFIPXVFZSA-N 0 0 484.647 4.238 50 0 JIAARN CC(=O)c1cc2c(cc1NC(=O)Cn1cnc3cc(-c4ccc(Cl)cc4)sc3c1=O)OCO2 ZINC000012769562 195116503 /nfs/dbraw/zinc/11/65/03/195116503.db2.gz NFFBZGFBEUINAF-UHFFFAOYSA-N 0 0 481.917 4.348 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccccc2C)c1 ZINC000012770980 195117604 /nfs/dbraw/zinc/11/76/04/195117604.db2.gz ASZMOJZIZGPFOP-UHFFFAOYSA-N 0 0 454.548 4.236 50 0 JIAARN COc1ccc(Cl)cc1C(=O)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000012771123 195117767 /nfs/dbraw/zinc/11/77/67/195117767.db2.gz BNFLNZFCRCZLCY-UHFFFAOYSA-N 0 0 480.874 4.375 50 0 JIAARN C[C@H](Sc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012770378 195117310 /nfs/dbraw/zinc/11/73/10/195117310.db2.gz MBOADNROKPPYGF-KRWDZBQOSA-N 0 0 462.637 4.124 50 0 JIAARN CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000012772338 195118471 /nfs/dbraw/zinc/11/84/71/195118471.db2.gz FHSZGYFOCVWCFF-FQEVSTJZSA-N 0 0 490.965 4.098 50 0 JIAARN O=C(COc1cccc(-c2nnc3n2CCCCC3)c1)Nc1cccc(I)c1 ZINC000012773052 195118984 /nfs/dbraw/zinc/11/89/84/195118984.db2.gz SFHDTSWQFMUEDN-UHFFFAOYSA-N 0 0 488.329 4.294 50 0 JIAARN Cc1nc(-c2cccc(NC(=O)c3ccccc3SC[C@]3(C)NC(=O)NC3=O)c2)cs1 ZINC000012773295 195119305 /nfs/dbraw/zinc/11/93/05/195119305.db2.gz ZFEFIYARGYZKOP-QFIPXVFZSA-N 0 0 452.561 4.061 50 0 JIAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000012775645 195120671 /nfs/dbraw/zinc/12/06/71/195120671.db2.gz SOWDLSSKUWOFLG-UHFFFAOYSA-N 0 0 469.460 4.006 50 0 JIAARN O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000012776080 195120846 /nfs/dbraw/zinc/12/08/46/195120846.db2.gz LLCCJGPMHUNODM-UHFFFAOYSA-N 0 0 496.814 4.264 50 0 JIAARN CCC(=O)N(c1nnc(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)s1)C1CC1 ZINC000012776176 195120879 /nfs/dbraw/zinc/12/08/79/195120879.db2.gz GXZPTBHDUVHTJO-JTQLQIEISA-N 0 0 455.403 4.325 50 0 JIAARN COCCn1c(SCC(=O)N(CC(C)C)CC(C)C)nc2ccc(Br)cc2c1=O ZINC000012776095 195120891 /nfs/dbraw/zinc/12/08/91/195120891.db2.gz DROVGRAFTYCOIZ-UHFFFAOYSA-N 0 0 484.460 4.038 50 0 JIAARN Cc1ccc(OCc2nc(C(=O)Nc3cc(S(=O)(=O)N(C)C)cc(C)c3C)cs2)cc1 ZINC000012777146 195121672 /nfs/dbraw/zinc/12/16/72/195121672.db2.gz HZKIJEZZRODSBR-UHFFFAOYSA-N 0 0 459.593 4.150 50 0 JIAARN CCNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000012779197 195123329 /nfs/dbraw/zinc/12/33/29/195123329.db2.gz HWRVFLCVFXCXNR-UHFFFAOYSA-N 0 0 457.939 4.143 50 0 JIAARN Cc1c(NC(=O)CN[C@@H](c2cccs2)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000012780939 195124680 /nfs/dbraw/zinc/12/46/80/195124680.db2.gz NULXXWKOWCJYSD-HSZRJFAPSA-N 0 0 450.539 4.003 50 0 JIAARN O[C@H](COc1ccc(Oc2ccccc2)cc1)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012781590 195124799 /nfs/dbraw/zinc/12/47/99/195124799.db2.gz YAVRWLZVYQOMQG-FQEVSTJZSA-N 0 0 473.495 4.455 50 0 JIAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012782754 195125475 /nfs/dbraw/zinc/12/54/75/195125475.db2.gz IZWAEEYVCFBMKM-AWEZNQCLSA-N 0 0 463.365 4.018 50 0 JIAARN CCOC(=O)c1sc(SCC(=O)N(Cc2ccccc2)c2nc3c(cccc3C)s2)nc1O ZINC000012782890 195125433 /nfs/dbraw/zinc/12/54/33/195125433.db2.gz IHLXCYIDTUGMHN-LJQANCHMSA-N 0 0 499.639 4.432 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccccc2F)c1 ZINC000012783044 195125744 /nfs/dbraw/zinc/12/57/44/195125744.db2.gz CMUQYYBEFPTQOE-UHFFFAOYSA-N 0 0 458.511 4.067 50 0 JIAARN COCCCn1c(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)nc2cc(C(=O)OC)ccc2c1=O ZINC000012784747 195126997 /nfs/dbraw/zinc/12/69/97/195126997.db2.gz CTISDYLXQCEGFK-MRXNPFEDSA-N 0 0 493.585 4.373 50 0 JIAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2nnc(-c3cccnc3)n2C)cc1 ZINC000012785790 195127641 /nfs/dbraw/zinc/12/76/41/195127641.db2.gz LCSOPZXFXZMFRV-UHFFFAOYSA-N 0 0 451.577 4.273 50 0 JIAARN Cc1cc(C)cc(C(=O)N(CCC2=CCCCC2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 ZINC000012786864 195128801 /nfs/dbraw/zinc/12/88/01/195128801.db2.gz LRXPLLXDDLATBS-UHFFFAOYSA-N 0 0 472.589 4.321 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000012791619 195132437 /nfs/dbraw/zinc/13/24/37/195132437.db2.gz XERKAIDEVUTLDP-UHFFFAOYSA-N 0 0 492.022 4.009 50 0 JIAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)CCC(=O)c1ccc(I)cc1 ZINC000012794105 195134285 /nfs/dbraw/zinc/13/42/85/195134285.db2.gz ZIXVGWFWWPBSPT-UHFFFAOYSA-N 0 0 484.721 4.005 50 0 JIAARN CCOC(=O)c1sc(N(Cc2ccc(F)cc2)C(=O)[C@@H]2COc3ccccc3O2)nc1C ZINC000012795344 195135248 /nfs/dbraw/zinc/13/52/48/195135248.db2.gz URBOMJVLYOEGQW-IBGZPJMESA-N 0 0 456.495 4.141 50 0 JIAARN CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000012795367 195135490 /nfs/dbraw/zinc/13/54/90/195135490.db2.gz DGLGAACSYYMNIG-XHNRSFOGSA-N 0 0 451.611 4.127 50 0 JIAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000012795720 195135796 /nfs/dbraw/zinc/13/57/96/195135796.db2.gz DUQIXHMKDSDWFB-QGZVFWFLSA-N 0 0 451.367 4.069 50 0 JIAARN C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000012797671 195137266 /nfs/dbraw/zinc/13/72/66/195137266.db2.gz OXLDPHFMPOIGFT-SNVBAGLBSA-N 0 0 478.983 4.070 50 0 JIAARN CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012806420 195141754 /nfs/dbraw/zinc/14/17/54/195141754.db2.gz PCUHYECMRAHCQY-JKSBSHDWSA-N 0 0 496.658 4.156 50 0 JIAARN CCN(C(=O)CSc1nc2ccccc2c(Nc2ccccc2Cl)n1)[C@H]1CCS(=O)(=O)C1 ZINC000012807745 195142525 /nfs/dbraw/zinc/14/25/25/195142525.db2.gz HQCWLBUCGURZMT-HNNXBMFYSA-N 0 0 491.038 4.155 50 0 JIAARN COc1ccc(-c2noc(CN3CCN(C(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)CC3)n2)cc1 ZINC000012809565 195143559 /nfs/dbraw/zinc/14/35/59/195143559.db2.gz ABUJNLUVXFWPQN-HNNXBMFYSA-N 0 0 491.375 4.164 50 0 JIAARN C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1Br ZINC000012812133 195144867 /nfs/dbraw/zinc/14/48/67/195144867.db2.gz BZHIOFNJPRYJPD-MRXNPFEDSA-N 0 0 480.428 4.184 50 0 JIAARN COc1ccc(C(=O)C2CCN(Cn3nc(-c4ccccc4OC)n(C)c3=S)CC2)cc1 ZINC000012814010 195146083 /nfs/dbraw/zinc/14/60/83/195146083.db2.gz SHWDXASEGSWVQY-UHFFFAOYSA-N 0 0 452.580 4.188 50 0 JIAARN CCCn1c(S[C@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)nc2sc3c(c2c1=O)CCC3 ZINC000012815586 195146812 /nfs/dbraw/zinc/14/68/12/195146812.db2.gz HHVGGEZVWYHFKL-MRXNPFEDSA-N 0 0 498.674 4.243 50 0 JIAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000012816468 195146995 /nfs/dbraw/zinc/14/69/95/195146995.db2.gz HBVLXTFJXSZWKJ-UHFFFAOYSA-N 0 0 467.616 4.496 50 0 JIAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CN1c2ccccc2OCCC1=O ZINC000012816958 195147296 /nfs/dbraw/zinc/14/72/96/195147296.db2.gz SITSAMZGYSOZRQ-UHFFFAOYSA-N 0 0 466.541 4.313 50 0 JIAARN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)c1cccc(Cl)c1 ZINC000012820830 195149173 /nfs/dbraw/zinc/14/91/73/195149173.db2.gz AJZFAWXEVPXOEK-QLFBSQMISA-N 0 0 471.406 4.282 50 0 JIAARN Cc1ccc([C@H]2C[C@@H](C(F)F)n3ncc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)c3N2)cc1 ZINC000012845020 195151938 /nfs/dbraw/zinc/15/19/38/195151938.db2.gz RHGLGVYKKHGCGU-YADHBBJMSA-N 0 0 495.530 4.279 50 0 JIAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4ccc5c(c4)OCO5)c3N2)cc1 ZINC000012847974 195153222 /nfs/dbraw/zinc/15/32/22/195153222.db2.gz UWDHJSNUBHQZBW-FXAWDEMLSA-N 0 0 474.439 4.211 50 0 JIAARN Cc1ccc(N2C[C@H](C(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)cc1 ZINC000012848130 195153126 /nfs/dbraw/zinc/15/31/26/195153126.db2.gz LGBFTZJDHQGUOI-CQSZACIVSA-N 0 0 467.875 4.117 50 0 JIAARN CCOc1ccccc1C(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012850117 195154119 /nfs/dbraw/zinc/15/41/19/195154119.db2.gz KWLGYHNWWJULLM-UHFFFAOYSA-N 0 0 488.588 4.103 50 0 JIAARN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3ccsc3n2)c1 ZINC000012854211 195156310 /nfs/dbraw/zinc/15/63/10/195156310.db2.gz DNWGNJPDNVHTKR-UHFFFAOYSA-N 0 0 497.598 4.108 50 0 JIAARN C[C@H](C(=O)N1CCc2ccccc2C1)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012856493 195157772 /nfs/dbraw/zinc/15/77/72/195157772.db2.gz FOUWIYBVCHRONU-CQSZACIVSA-N 0 0 453.892 4.203 50 0 JIAARN C[C@H](NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000012867424 195161907 /nfs/dbraw/zinc/16/19/07/195161907.db2.gz FLDTZFHULLIJEZ-LBPRGKRZSA-N 0 0 471.863 4.471 50 0 JIAARN CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCCc1ccc(Br)s1 ZINC000012868637 195162738 /nfs/dbraw/zinc/16/27/38/195162738.db2.gz MFIWZJZFORYPCC-INIZCTEOSA-N 0 0 488.245 4.386 50 0 JIAARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)cc1 ZINC000012873469 195164621 /nfs/dbraw/zinc/16/46/21/195164621.db2.gz PINQMNLRQXYFPI-LJQANCHMSA-N 0 0 452.523 4.247 50 0 JIAARN COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2OC)c(OC)c1 ZINC000012873212 195164641 /nfs/dbraw/zinc/16/46/41/195164641.db2.gz LKCHWBLYNORGKO-LJGDZFJRSA-N 0 0 455.551 4.230 50 0 biogenic JIAARN CC(C)C[C@@H](C(=O)NCCc1ccccc1F)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012873085 195164735 /nfs/dbraw/zinc/16/47/35/195164735.db2.gz XFVYGPGMASJUSM-FIPFOOKPSA-N 0 0 490.579 4.116 50 0 biogenic JIAARN CC(C)[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012873806 195164912 /nfs/dbraw/zinc/16/49/12/195164912.db2.gz VDXCFDIKQJORJH-KADOZOMVSA-N 0 0 486.616 4.366 50 0 biogenic JIAARN COc1ccccc1[C@@H]1CN2C(=O)CN(Cc3ccco3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012875603 195165904 /nfs/dbraw/zinc/16/59/04/195165904.db2.gz BGLHHJJDUJJGTM-DCFHFQCYSA-N 0 0 455.514 4.001 50 0 biogenic JIAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)c1 ZINC000012899694 195176806 /nfs/dbraw/zinc/17/68/06/195176806.db2.gz YLOXPUWNDPGTBW-UHFFFAOYSA-N 0 0 480.011 4.381 50 0 JIAARN COc1ccc(CN(CC(F)(F)F)C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cc1 ZINC000012876480 195166401 /nfs/dbraw/zinc/16/64/01/195166401.db2.gz FSFDHRHRKGNNDI-UHFFFAOYSA-N 0 0 459.468 4.336 50 0 JIAARN CCCCc1ccc(NC(=O)[C@@H](NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)[C@@H](C)CC)cc1 ZINC000012878765 195167592 /nfs/dbraw/zinc/16/75/92/195167592.db2.gz DDUCALYSAOIHKI-IYCJUYGXSA-N 0 0 478.637 4.373 50 0 biogenic JIAARN CN(c1ccc(OCC(=O)Nc2ccc(F)cc2Cl)cc1)S(=O)(=O)c1cccs1 ZINC000012880650 195168200 /nfs/dbraw/zinc/16/82/00/195168200.db2.gz KSICWOUBWYERBI-UHFFFAOYSA-N 0 0 454.932 4.383 50 0 JIAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCCc1ccccc1 ZINC000012889086 195171786 /nfs/dbraw/zinc/17/17/86/195171786.db2.gz MQJIDHWFMDIVBJ-MAUNHCGISA-N 0 0 493.673 4.315 50 0 biogenic JIAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000012889889 195172320 /nfs/dbraw/zinc/17/23/20/195172320.db2.gz XBFHAFZJVZUMMJ-UHFFFAOYSA-N 0 0 496.814 4.264 50 0 JIAARN CSCC[C@@H](CO)NC(=O)COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2 ZINC000012892753 195173916 /nfs/dbraw/zinc/17/39/16/195173916.db2.gz JCISCULGQAOBHK-SFHVURJKSA-N 0 0 497.613 4.173 50 0 biogenic JIAARN COc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1Br ZINC000012898396 195176412 /nfs/dbraw/zinc/17/64/12/195176412.db2.gz RTDNEFQGGZLDMR-UHFFFAOYSA-N 0 0 469.401 4.106 50 0 JIAARN O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 ZINC000012863443 195160578 /nfs/dbraw/zinc/16/05/78/195160578.db2.gz HEJPSCFIQWHLHD-OAQYLSRUSA-N 0 0 498.558 4.267 50 0 JIAARN O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000012901932 195177772 /nfs/dbraw/zinc/17/77/72/195177772.db2.gz NLWXXSAGAGMRPS-UHFFFAOYSA-N 0 0 452.363 4.155 50 0 JIAARN C[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000012905254 195179439 /nfs/dbraw/zinc/17/94/39/195179439.db2.gz WTNOTFZSPJTEEX-HZPDHXFCSA-N 0 0 453.489 4.452 50 0 JIAARN Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-n4ccc(-c5cnn(C)c5C)n4)cc3)o2)n1 ZINC000020608079 195181675 /nfs/dbraw/zinc/18/16/75/195181675.db2.gz PWIMLBPRSHNUKZ-UHFFFAOYSA-N 0 0 455.522 4.288 50 0 JIAARN CC[C@@H](C(=O)Nc1nn(Cc2cnn(CC)c2C)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607736 195181777 /nfs/dbraw/zinc/18/17/77/195181777.db2.gz KWGLSWLMISFMMA-INIZCTEOSA-N 0 0 483.926 4.403 50 0 JIAARN CCn1ncc(Cl)c1CN(C)C(=O)Cn1nc(C)c2c1nc(C1CC1)cc2C(F)(F)F ZINC000020614274 195186226 /nfs/dbraw/zinc/18/62/26/195186226.db2.gz PHWDNKPWIPKFML-UHFFFAOYSA-N 0 0 454.884 4.164 50 0 JIAARN Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n1 ZINC000020617091 195188932 /nfs/dbraw/zinc/18/89/32/195188932.db2.gz UMTIUFPDADCHBR-MRVPVSSYSA-N 0 0 453.412 4.243 50 0 JIAARN CCOC(=O)c1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2OC)c1 ZINC000020617379 195189340 /nfs/dbraw/zinc/18/93/40/195189340.db2.gz CBONSMRRLJGWMQ-WCTVFOPTSA-N 0 0 487.512 4.299 50 0 JIAARN CCOc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000020617629 195189512 /nfs/dbraw/zinc/18/95/12/195189512.db2.gz XMGFKMADVALSNM-WCTVFOPTSA-N 0 0 473.485 4.241 50 0 JIAARN Cc1cccc(/C=C2/Oc3ccccc3N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000020735414 195212520 /nfs/dbraw/zinc/21/25/20/195212520.db2.gz WLTAQPDVAZOISW-LGUFXXKBSA-N 0 0 453.542 4.110 50 0 JIAARN COc1ccccc1CNC(=O)C[C@@H]1C(=O)N(Cc2ccccc2)[C@@H](C)c2nc3ccccc3n21 ZINC000020676951 195201959 /nfs/dbraw/zinc/20/19/59/195201959.db2.gz UWNGGEQRIHCXNH-YADARESESA-N 0 0 468.557 4.396 50 0 JIAARN COc1ccccc1CNC(=O)C[C@@H]1C(=O)N(Cc2ccccc2)[C@H](C)c2nc3ccccc3n21 ZINC000020676961 195201993 /nfs/dbraw/zinc/20/19/93/195201993.db2.gz UWNGGEQRIHCXNH-NTKDMRAZSA-N 0 0 468.557 4.396 50 0 JIAARN O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2 ZINC000020730031 195209547 /nfs/dbraw/zinc/20/95/47/195209547.db2.gz XZYAZKFQCIFSJF-UHFFFAOYSA-N 0 0 491.588 4.199 50 0 JIAARN Cc1cccc(/C=C2/Oc3ccccc3N(CC(=O)N3CCN(Cc4ccccc4)CC3)C2=O)c1 ZINC000020735433 195212432 /nfs/dbraw/zinc/21/24/32/195212432.db2.gz SPEPSRJBGXADPE-ZXVVBBHZSA-N 0 0 467.569 4.106 50 0 JIAARN Cc1ccc(N2C(=O)N(Cc3ccc(Br)cc3F)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000020848758 195230585 /nfs/dbraw/zinc/23/05/85/195230585.db2.gz NBYDLNQFDODJMA-QZTJIDSGSA-N 0 0 487.778 4.158 50 0 JIAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCCCn3ccnc3)nn1-c1ccccc1Cl)C2 ZINC000020745139 195214887 /nfs/dbraw/zinc/21/48/87/195214887.db2.gz BDKPETUCPQMSLX-UHFFFAOYSA-N 0 0 477.952 4.131 50 0 JIAARN Cc1nnc(-c2cccc(S(=O)(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2)o1 ZINC000020853553 195231452 /nfs/dbraw/zinc/23/14/52/195231452.db2.gz NVGPTZFTQKJWMY-UHFFFAOYSA-N 0 0 474.586 4.141 50 0 JIAARN CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000020761653 195217990 /nfs/dbraw/zinc/21/79/90/195217990.db2.gz PAMNJGUVIMOYKE-HXUWFJFHSA-N 0 0 454.368 4.270 50 0 biogenic JIAARN COc1ccc([C@H](CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020766001 195221385 /nfs/dbraw/zinc/22/13/85/195221385.db2.gz 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COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Cl)c1OCc1ccccc1F ZINC000020895518 195239694 /nfs/dbraw/zinc/23/96/94/195239694.db2.gz BPWWCNHQHGSBCH-IBGZPJMESA-N 0 0 451.907 4.068 50 0 JIAARN COc1ccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c(OC)c1 ZINC000020898534 195240359 /nfs/dbraw/zinc/24/03/59/195240359.db2.gz JDTQYLCYGRJHRW-DEOSSOPVSA-N 0 0 494.551 4.227 50 0 JIAARN COc1ccc(-c2c3c(c4n2-c2ccccc2N[C@@H]4c2ccc(F)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000020898617 195240684 /nfs/dbraw/zinc/24/06/84/195240684.db2.gz HPSVRAONXJEEDP-HSZRJFAPSA-N 0 0 482.515 4.358 50 0 JIAARN Cc1ccsc1C(=O)N(Cc1cc2cc3c(cc2nc1N(C)C)OCO3)C[C@H]1CCCO1 ZINC000020860709 195233277 /nfs/dbraw/zinc/23/32/77/195233277.db2.gz CSHPOQUREKBORG-GOSISDBHSA-N 0 0 453.564 4.221 50 0 JIAARN C=C1C(N2CCC(C(=O)NCc3cccc(C)c3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020864403 195234307 /nfs/dbraw/zinc/23/43/07/195234307.db2.gz MCHNFJRMKMIESF-UHFFFAOYSA-N 0 0 465.619 4.113 50 0 JIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCc1cccc(Br)c1 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JIAARN COC(=O)c1sccc1S(=O)(=O)Oc1ccccc1CN(Cc1ccco1)C(=O)NC(C)C ZINC000096290273 130039510 /nfs/dbraw/zinc/03/95/10/130039510.db2.gz XRXTZIYYBMFCRM-UHFFFAOYSA-N 0 0 492.575 4.016 50 0 JIAARN CCCCOC(=O)c1ccccc1S(=O)(=O)Oc1ccc(CN(C(=O)NC(C)C)C2CC2)cc1 ZINC000096294095 130048969 /nfs/dbraw/zinc/04/89/69/130048969.db2.gz HRJNYGQNMZBRJP-UHFFFAOYSA-N 0 0 488.606 4.494 50 0 JIAARN COc1ccc(OC)c([C@H](C)NC(=O)COC(=O)/C=C\c2c(C)nn(Cc3ccc(C)cc3)c2C)c1 ZINC000096305181 130054932 /nfs/dbraw/zinc/05/49/32/130054932.db2.gz WGGJVNOQHWDHRZ-IFMUVIIVSA-N 0 0 491.588 4.308 50 0 JIAARN COc1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@]23CC(=O)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000096318885 130063781 /nfs/dbraw/zinc/06/37/81/130063781.db2.gz IQKIODBYROXEDT-VGOFRKELSA-N 0 0 472.975 4.286 50 0 JIAARN COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000096319672 130064604 /nfs/dbraw/zinc/06/46/04/130064604.db2.gz QKRIWOPFVMXZHB-QZTJIDSGSA-N 0 0 487.339 4.193 50 0 JIAARN CCCc1cc(Nc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)n2nc(-c3cccnc3)nc2n1 ZINC000096319664 130064612 /nfs/dbraw/zinc/06/46/12/130064612.db2.gz RJXQPEPAMSONBF-UHFFFAOYSA-N 0 0 489.543 4.433 50 0 JIAARN COc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000096322646 130066464 /nfs/dbraw/zinc/06/64/64/130066464.db2.gz RGSUPNJJNURNHF-UHFFFAOYSA-N 0 0 492.022 4.173 50 0 JIAARN COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1oc(CSc2ccc(OC)cc2)cc(=O)c1O ZINC000096335902 130072195 /nfs/dbraw/zinc/07/21/95/130072195.db2.gz RPTCRJSPERIVIL-GOSISDBHSA-N 0 0 472.515 4.056 50 0 JIAARN COc1cc([C@@H]2c3c(cc(C)oc3=O)O[C@H]2C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC ZINC000096336022 130072899 /nfs/dbraw/zinc/07/28/99/130072899.db2.gz BXUNMOSEPPQQHC-DENIHFKCSA-N 0 0 471.893 4.159 50 0 JIAARN Nc1n[nH]c(SCC(=O)N2N=C3C(=Cc4cccs4)CCC[C@@H]3[C@H]2c2cccs2)n1 ZINC000096455175 130084181 /nfs/dbraw/zinc/08/41/81/130084181.db2.gz XDPAJJMCQFSMGI-PDHWYABUSA-N 0 0 456.622 4.425 50 0 JIAARN COc1ccccc1C(=O)COC(=O)c1ccc(NS(=O)(=O)C=Cc2ccccc2)cc1 ZINC000096506471 130112224 /nfs/dbraw/zinc/11/22/24/130112224.db2.gz DJJWNERGUULQBH-NXVVXOECSA-N 0 0 451.500 4.148 50 0 JIAARN CCOC(=O)c1ccc(NC=C2c3ccccc3C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000102925064 130395112 /nfs/dbraw/zinc/39/51/12/130395112.db2.gz OGCKWNUXPAWKLO-HYARGMPZSA-N 0 0 470.481 4.228 50 0 JIAARN CCCCN1C(=O)[C@H]2[C@H]3C=Cc4cc(Br)ccc4N3[C@@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000103460226 130636941 /nfs/dbraw/zinc/63/69/41/130636941.db2.gz CIOFOCGRLNTKHU-YDZRNGNQSA-N 0 0 459.384 4.050 50 0 JIAARN COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)N1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000103463748 130637953 /nfs/dbraw/zinc/63/79/53/130637953.db2.gz LAPPZNAMPWNIOU-OAHLLOKOSA-N 0 0 462.568 4.035 50 0 JIAARN COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000085876563 517992648 /nfs/dbraw/zinc/99/26/48/517992648.db2.gz SHMAMWZQRLAKMB-GOSISDBHSA-N 0 0 456.516 4.350 50 0 biogenic JIAARN Cc1ccc(F)cc1NC(=O)Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21 ZINC000067318164 518189065 /nfs/dbraw/zinc/18/90/65/518189065.db2.gz ZQKQIPOURRLLEM-UHFFFAOYSA-N 0 0 455.449 4.200 50 0 JIAARN CC(=O)c1ccc(N2CCN(C(=O)C(=Cc3cccs3)NC(=O)c3ccccc3)CC2)cc1 ZINC000033334482 518347441 /nfs/dbraw/zinc/34/74/41/518347441.db2.gz FRCYZKQRJRWCSC-HKOYGPOVSA-N 0 0 459.571 4.070 50 0 JIAARN CC(=O)c1ccc(NC(=O)CSc2nnc3ccc(C(=O)Nc4cccc(C)c4)cn32)cc1 ZINC000033140884 518364399 /nfs/dbraw/zinc/36/43/99/518364399.db2.gz JUANQGHCRCOAFT-UHFFFAOYSA-N 0 0 459.531 4.223 50 0 JIAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(CN3CCCC3)n2Cc2ccccc2)cc1 ZINC000022657535 518376125 /nfs/dbraw/zinc/37/61/25/518376125.db2.gz WYXVYIMVVQFTIU-LJQANCHMSA-N 0 0 463.607 4.244 50 0 JIAARN CC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)C2)cc1 ZINC000020416091 518377463 /nfs/dbraw/zinc/37/74/63/518377463.db2.gz HDPNOEZIFMXFNG-QFIPXVFZSA-N 0 0 481.556 4.357 50 0 JIAARN CC(=O)c1ccc(OCC(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000014689131 518395147 /nfs/dbraw/zinc/39/51/47/518395147.db2.gz ZSBNRWCSPYNKPI-UHFFFAOYSA-N 0 0 473.934 4.352 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)Cc2ccco2)cc1 ZINC000014357005 518402453 /nfs/dbraw/zinc/40/24/53/518402453.db2.gz KKWLYBJABBZDNG-UHFFFAOYSA-N 0 0 495.384 4.296 50 0 JIAARN CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O ZINC000016046429 518702011 /nfs/dbraw/zinc/70/20/11/518702011.db2.gz NPTHJKOAFPCGDD-HSZRJFAPSA-N 0 0 472.383 4.043 50 0 JIAARN CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@@H]1c1ccc(Br)cc1 ZINC000012384245 518844758 /nfs/dbraw/zinc/84/47/58/518844758.db2.gz XYXFTTCWUASWPB-NWFVXXGESA-N 0 0 483.399 4.172 50 0 JIAARN CC(C)(C)[C@@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)Nc5ccc(F)cc5F)nc4c23)C1 ZINC000064945979 518947250 /nfs/dbraw/zinc/94/72/50/518947250.db2.gz HXXFUNVDFNNONJ-GFCCVEGCSA-N 0 0 471.533 4.174 50 0 JIAARN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)cc1 ZINC000002889357 519045048 /nfs/dbraw/zinc/04/50/48/519045048.db2.gz KLIAOLHUSDGQOX-UHFFFAOYSA-N 0 0 466.559 4.444 50 0 JIAARN CC(C)(C)c1ccc2c(c1)N(CC(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)C(=O)CO2 ZINC000002912643 519050973 /nfs/dbraw/zinc/05/09/73/519050973.db2.gz GQHYWYDJPHPFTE-UHFFFAOYSA-N 0 0 475.511 4.077 50 0 JIAARN CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCc1ccccc1)O2 ZINC000064985455 519053527 /nfs/dbraw/zinc/05/35/27/519053527.db2.gz MAQMFQSGATUZJD-XMMPIXPASA-N 0 0 464.587 4.257 50 0 JIAARN CC(/C=C1/SC(=O)N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O)=C/c1ccccc1 ZINC000033294153 519348302 /nfs/dbraw/zinc/34/83/02/519348302.db2.gz KREPORMCQUTSGB-WANMUPLOSA-N 0 0 488.569 4.106 50 0 JIAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2nccs2)n1C ZINC000072191724 519392296 /nfs/dbraw/zinc/39/22/96/519392296.db2.gz RXAYRUBNLSFKAG-HNNXBMFYSA-N 0 0 479.031 4.173 50 0 JIAARN CC(C)C(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)[C@@H](C)c1ccccc1 ZINC000036069198 519452803 /nfs/dbraw/zinc/45/28/03/519452803.db2.gz FCPCJOWRQQIRFS-QFIPXVFZSA-N 0 0 471.605 4.038 50 0 JIAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H]1CCCO1 ZINC000036116971 519461892 /nfs/dbraw/zinc/46/18/92/519461892.db2.gz ANXWNTLYTWFPKA-VWNXMTODSA-N 0 0 470.635 4.404 50 0 JIAARN CC(C)Cc1nn2c(nc(COC(=O)c3cccc(NC(=O)c4cccs4)c3)cc2=O)s1 ZINC000008607776 519466471 /nfs/dbraw/zinc/46/64/71/519466471.db2.gz DLSVWVJJSFERAU-UHFFFAOYSA-N 0 0 468.560 4.020 50 0 JIAARN CC(C)C(=O)N1CCc2c3ccccc3[nH]c2[C@@]12c1cc(Br)ccc1N(C)C2=O ZINC000008877359 519475253 /nfs/dbraw/zinc/47/52/53/519475253.db2.gz LTRFGEZIQLMQOQ-HSZRJFAPSA-N 0 0 452.352 4.191 50 0 biogenic JIAARN CC(C)Cn1c2ccccc2nc(N2CCC(NC(=O)Nc3ccc(Cl)cc3)CC2)c1=O ZINC000033290663 519488611 /nfs/dbraw/zinc/48/86/11/519488611.db2.gz UPNCKHQLUOGIEG-UHFFFAOYSA-N 0 0 453.974 4.496 50 0 JIAARN CC(C)Cn1ccc2c1cccc2NC(=O)Cn1cc(OCc2ccccc2)c(=O)cc1CO ZINC000070666457 519515655 /nfs/dbraw/zinc/51/56/55/519515655.db2.gz KBUQNBMPBJLWHA-UHFFFAOYSA-N 0 0 459.546 4.169 50 0 biogenic JIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc(C)ccc2OCCOc2ccc(Br)cc2)S1 ZINC000020896284 519642978 /nfs/dbraw/zinc/64/29/78/519642978.db2.gz VJLYQFIKENTBFN-HXUWFJFHSA-N 0 0 492.395 4.216 50 0 JIAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)c3ccccc3I)n2)cc1 ZINC000021839431 519668244 /nfs/dbraw/zinc/66/82/44/519668244.db2.gz VSMNMBYJUCWZQY-UHFFFAOYSA-N 0 0 491.354 4.346 50 0 JIAARN CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1 ZINC000033069289 519702215 /nfs/dbraw/zinc/70/22/15/519702215.db2.gz OULGGISQWKAOHJ-UHFFFAOYSA-N 0 0 459.550 4.197 50 0 JIAARN CC(=O)Nc1c2cc(F)ccc2n2c1C(=O)N(CCC(C)C)[C@](C)(C(=O)NC1CCCCC1)C2 ZINC000021866552 519702242 /nfs/dbraw/zinc/70/22/42/519702242.db2.gz XPVPDHMCWLEUTD-SANMLTNESA-N 0 0 470.589 4.448 50 0 JIAARN CC(=O)Nc1c2cc(F)ccc2n2c1C(=O)N(C1CCCC1)[C@](C)(C(=O)NC1CCCCC1)C2 ZINC000021866634 519702245 /nfs/dbraw/zinc/70/22/45/519702245.db2.gz AOZKUQMBSGMXBW-SANMLTNESA-N 0 0 468.573 4.345 50 0 JIAARN CC(=O)Nc1c2cc(F)ccc2n2c1C(=O)N(Cc1cccs1)[C@](C)(C(=O)NC1CCCC1)C2 ZINC000021866379 519702522 /nfs/dbraw/zinc/70/25/22/519702522.db2.gz UIKHSCKKMAPZTN-VWLOTQADSA-N 0 0 482.581 4.274 50 0 JIAARN CC(=O)Nc1c2cc(F)ccc2n2c1C(=O)N(Cc1ccccc1F)[C@](C)(C(=O)NCCC(C)C)C2 ZINC000021866189 519702635 /nfs/dbraw/zinc/70/26/35/519702635.db2.gz OJORLYRNSQFXHQ-MHZLTWQESA-N 0 0 496.558 4.455 50 0 JIAARN CC(=O)Nc1c2ccccc2n2c1C(=O)N(C1CCCCC1)[C@](C)(C(=O)NC1CCCC1)C2 ZINC000021866938 519702649 /nfs/dbraw/zinc/70/26/49/519702649.db2.gz CZGUFQVNBFQOQW-SANMLTNESA-N 0 0 450.583 4.206 50 0 JIAARN CC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCCc2ccc(Cl)cc2)c1=O ZINC000014956435 519708462 /nfs/dbraw/zinc/70/84/62/519708462.db2.gz XNCZYEVIZQDBFQ-UHFFFAOYSA-N 0 0 458.002 4.317 50 0 JIAARN CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O ZINC000033087941 519713106 /nfs/dbraw/zinc/71/31/06/519713106.db2.gz XYLFNEQMDIGQOT-UHFFFAOYSA-N 0 0 462.456 4.247 50 0 JIAARN CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2c(F)cccc2F)c1=O ZINC000033087940 519713234 /nfs/dbraw/zinc/71/32/34/519713234.db2.gz 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COc1cc(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)cc(OC)c1OC ZINC000038487614 522670987 /nfs/dbraw/zinc/67/09/87/522670987.db2.gz HBDAUGBGMRZLNM-ZDUSSCGKSA-N 0 0 489.623 4.079 50 0 JIAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(C)(C)C ZINC000036115882 522731672 /nfs/dbraw/zinc/73/16/72/522731672.db2.gz NYIFZETWROVAHW-IBGZPJMESA-N 0 0 465.015 4.180 50 0 JIAARN COCC(=O)N(Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)CC(C)C ZINC000004143284 522733212 /nfs/dbraw/zinc/73/32/12/522733212.db2.gz JWBKUGJDNCFZKE-UHFFFAOYSA-N 0 0 459.486 4.104 50 0 JIAARN COc1cc(NC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c(OC)cc1Cl ZINC000033088424 522733366 /nfs/dbraw/zinc/73/33/66/522733366.db2.gz QOGVQVXFJMQDLU-UHFFFAOYSA-N 0 0 467.791 4.326 50 0 JIAARN COCC(=O)N(Cc1ccco1)Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000085421948 522737271 /nfs/dbraw/zinc/73/72/71/522737271.db2.gz FHIUTJBRWBHJOO-UHFFFAOYSA-N 0 0 483.464 4.241 50 0 JIAARN CCc1nnc(NC(=O)[C@H](C)Sc2nnc(COc3ccc4c(c3)CCCC4)n2CC)s1 ZINC000013956198 522771819 /nfs/dbraw/zinc/77/18/19/522771819.db2.gz RXRAYDNTQXIIMH-AWEZNQCLSA-N 0 0 472.640 4.289 50 0 JIAARN COCC(=O)Nc1cc(C(=O)N[C@H]2CCc3ccccc32)cc2ncn(CCc3ccccc3)c21 ZINC000012452241 522781051 /nfs/dbraw/zinc/78/10/51/522781051.db2.gz OYBMQJHGRYECOE-QHCPKHFHSA-N 0 0 468.557 4.281 50 0 JIAARN CCc1nnc(SCC(=O)Nc2ccc(OC)c(OC)c2OC)c2cc3sccc3n21 ZINC000020510730 522783598 /nfs/dbraw/zinc/78/35/98/522783598.db2.gz PFXTVKJOPVQUIA-UHFFFAOYSA-N 0 0 458.565 4.263 50 0 JIAARN COc1cc(OC)c(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(C)cc3C)c2=O)cc1Cl ZINC000067218570 522800752 /nfs/dbraw/zinc/80/07/52/522800752.db2.gz CZKRKLJYMHUMDN-UHFFFAOYSA-N 0 0 499.976 4.140 50 0 JIAARN CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(Br)cc1F ZINC000033124622 522869327 /nfs/dbraw/zinc/86/93/27/522869327.db2.gz MBHYNJSMMRQQLU-KRWDZBQOSA-N 0 0 464.266 4.069 50 0 JIAARN COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)NC2CCCCCC2)c1OC ZINC000022595957 522896631 /nfs/dbraw/zinc/89/66/31/522896631.db2.gz LZJICVKSJNGUOK-UHFFFAOYSA-N 0 0 450.532 4.096 50 0 JIAARN CCc1noc(Cn2cnc3c4ccccc4n(CC(=O)Nc4ccccc4C(F)(F)F)c3c2=O)n1 ZINC000033280940 522902924 /nfs/dbraw/zinc/90/29/24/522902924.db2.gz BNHCNPGBPVJXAD-UHFFFAOYSA-N 0 0 496.449 4.002 50 0 JIAARN COc1cc([C@@H](CC(=O)Nc2ncccc2C)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000008592387 522912922 /nfs/dbraw/zinc/91/29/22/522912922.db2.gz UCFHDCHPXHODKG-HXUWFJFHSA-N 0 0 461.518 4.142 50 0 JIAARN COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)Cc4csc(C)n4)c(C)o3)cc2)o1 ZINC000014986784 522965796 /nfs/dbraw/zinc/96/57/96/522965796.db2.gz PESZCUKLFXZFTN-UHFFFAOYSA-N 0 0 480.546 4.266 50 0 JIAARN CN(CCc1noc(-c2ccc(C(=O)NCc3cccs3)cc2)n1)C(=O)c1ccccc1F ZINC000033114380 523000290 /nfs/dbraw/zinc/00/02/90/523000290.db2.gz IUTQZCYBPBUFBK-UHFFFAOYSA-N 0 0 464.522 4.182 50 0 JIAARN COc1cc2c(cc1OC)CN(c1cc(C(=O)NCc3ccccn3)c3ccccc3n1)CC2 ZINC000025145513 523035192 /nfs/dbraw/zinc/03/51/92/523035192.db2.gz NELSOBBZGWGOTA-UHFFFAOYSA-N 0 0 454.530 4.140 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@@H](CC(C)C)C(=O)N1CCCC1)CC2 ZINC000013627126 523051707 /nfs/dbraw/zinc/05/17/07/523051707.db2.gz YTVLZJXWAAZICA-OZXSUGGESA-N 0 0 479.621 4.398 50 0 biogenic JIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CC2 ZINC000009460071 523051969 /nfs/dbraw/zinc/05/19/69/523051969.db2.gz JLRKUAHIWRSRGQ-FQRUVTKNSA-N 0 0 476.598 4.288 50 0 JIAARN CCn1c(=O)c2sc(N3CCC(C)CC3)nc2nc1SCC(=O)NCc1ccccc1Cl ZINC000065319619 523108774 /nfs/dbraw/zinc/10/87/74/523108774.db2.gz URPSMYXMKDIKQI-UHFFFAOYSA-N 0 0 492.070 4.171 50 0 JIAARN CCn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000065319894 523108945 /nfs/dbraw/zinc/10/89/45/523108945.db2.gz JDPKNYNVUMKNSM-UHFFFAOYSA-N 0 0 457.625 4.129 50 0 JIAARN CCn1c(=O)c2snc(-c3ccc(C)cc3)c2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000033300298 523109874 /nfs/dbraw/zinc/10/98/74/523109874.db2.gz FRPZXTALSOFGHC-UHFFFAOYSA-N 0 0 494.598 4.350 50 0 JIAARN COc1ccc(-c2cc3c(n(C)c2=O)CCN(C(=O)c2cccnc2SC)C3)c2ccc(C)nc12 ZINC000014536950 523119337 /nfs/dbraw/zinc/11/93/37/523119337.db2.gz RRDYOIGGEFRAIG-UHFFFAOYSA-N 0 0 486.597 4.233 50 0 JIAARN COc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccccc5Cl)n4ccn3n2)cc1 ZINC000038487019 523121410 /nfs/dbraw/zinc/12/14/10/523121410.db2.gz OQYOJADEWXHDHE-UHFFFAOYSA-N 0 0 464.938 4.437 50 0 JIAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2)N(c2cccc(OC)c2)C3=O)cc1 ZINC000021854836 523123317 /nfs/dbraw/zinc/12/33/17/523123317.db2.gz TWXGACBHWYCALU-GDLZYMKVSA-N 0 0 496.567 4.303 50 0 JIAARN COc1ccc(-c2cn(-c3ccc(OC)c(OC)c3)c(NC(=O)CN(C(=O)C(C)C)C(C)C)n2)cc1 ZINC000036061006 523143681 /nfs/dbraw/zinc/14/36/81/523143681.db2.gz XXPPBDVZGJEBHC-UHFFFAOYSA-N 0 0 494.592 4.397 50 0 JIAARN COc1ccc(-c2cn3nc(N4CCC(C(=O)NCc5ccc(F)cc5)CC4)sc3n2)cc1 ZINC000008591037 523144815 /nfs/dbraw/zinc/14/48/15/523144815.db2.gz OGXBIQGXAGZTSZ-UHFFFAOYSA-N 0 0 465.554 4.138 50 0 JIAARN COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCc5ccccc5OC)C4)sc3n2)cc1 ZINC000008591101 523145793 /nfs/dbraw/zinc/14/57/93/523145793.db2.gz DBPQMVRPJHULOI-IBGZPJMESA-N 0 0 477.590 4.008 50 0 JIAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)NCc2cccs2)cc1OC ZINC000033070525 523154721 /nfs/dbraw/zinc/15/47/21/523154721.db2.gz KHVJRKDRDQWTNR-UHFFFAOYSA-N 0 0 454.577 4.192 50 0 JIAARN COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000084712890 523168475 /nfs/dbraw/zinc/16/84/75/523168475.db2.gz OXQNLLVUVDAEHC-OAQYLSRUSA-N 0 0 471.604 4.309 50 0 in-vitro JIAARN CCn1c(CN(C)C(=O)Nc2ccc(Br)c(C)c2)nc2cc(C(=O)N(C)C)ccc21 ZINC000065008303 523185148 /nfs/dbraw/zinc/18/51/48/523185148.db2.gz VAZUWAQWCODXJX-UHFFFAOYSA-N 0 0 472.387 4.493 50 0 JIAARN COC(=O)COc1cc(-c2ccccc2)nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc21 ZINC000033292692 523218612 /nfs/dbraw/zinc/21/86/12/523218612.db2.gz BPPRXWOUEFMSSL-UHFFFAOYSA-N 0 0 466.490 4.394 50 0 JIAARN COc1ccc(-c2nc(N3CCC(C)CC3)nc3nn(-c4cccc(F)c4)c(N)c32)cc1OC ZINC000037358525 523219654 /nfs/dbraw/zinc/21/96/54/523219654.db2.gz MFNHUBCQDBDNHB-UHFFFAOYSA-N 0 0 462.529 4.457 50 0 JIAARN CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cn(C)nc1-c1ccccc1 ZINC000065099440 523227984 /nfs/dbraw/zinc/22/79/84/523227984.db2.gz ZABJVNNSMJJYCE-UHFFFAOYSA-N 0 0 454.506 4.375 50 0 JIAARN CCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nnc1-c1ccc(OC)cc1 ZINC000023554198 523232283 /nfs/dbraw/zinc/23/22/83/523232283.db2.gz BDSDCCHVXPVGGO-UHFFFAOYSA-N 0 0 455.565 4.323 50 0 JIAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)NC(C)C ZINC000036116453 523240336 /nfs/dbraw/zinc/24/03/36/523240336.db2.gz PYCLICMZSDMPDJ-OAQYLSRUSA-N 0 0 494.057 4.363 50 0 JIAARN CN(Cc1ccc(F)cc1)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O ZINC000012244931 523247258 /nfs/dbraw/zinc/24/72/58/523247258.db2.gz UYTYMNYMVGWFRU-RUZDIDTESA-N 0 0 456.945 4.467 50 0 JIAARN CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)NCCc2sccc2C)c1C ZINC000020437213 523254799 /nfs/dbraw/zinc/25/47/99/523254799.db2.gz RTGQIGCCJFXCJE-UHFFFAOYSA-N 0 0 478.618 4.161 50 0 JIAARN CCn1c2cc(NC(=O)Cc3ccccc3C)c(S(=O)(=O)C3CCCCC3)cc2n(CC)c1=O ZINC000046146351 523257076 /nfs/dbraw/zinc/25/70/76/523257076.db2.gz PKVATDFRNOIAOJ-UHFFFAOYSA-N 0 0 483.634 4.439 50 0 JIAARN CCn1c2cc(NC(=O)c3cccs3)c(S(=O)(=O)C3CCCCC3)cc2n(CC)c1=O ZINC000046146306 523259558 /nfs/dbraw/zinc/25/95/58/523259558.db2.gz ARKZGAYFBXKLBE-UHFFFAOYSA-N 0 0 461.609 4.263 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC(F)F)n2C[C@@H]2CCCO2)cc1 ZINC000014140715 523262674 /nfs/dbraw/zinc/26/26/74/523262674.db2.gz UQZYUQBASCDYIG-KRWDZBQOSA-N 0 0 490.532 4.465 50 0 JIAARN COCCCN(Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)C[C@H](O)COCC(C)C ZINC000036206424 523268249 /nfs/dbraw/zinc/26/82/49/523268249.db2.gz LOICGNNYDJONJF-IBGZPJMESA-N 0 0 494.057 4.177 50 0 JIAARN COc1ccc(-c2nnc3sc(NC(=O)COc4ccc(C(C)(C)C)cc4)nn32)cc1OC ZINC000064980441 523269717 /nfs/dbraw/zinc/26/97/17/523269717.db2.gz NJXUYTIXBHTZCL-UHFFFAOYSA-N 0 0 467.551 4.185 50 0 JIAARN COc1ccc(-c2noc(-c3ccc(NC(=O)[C@H]4CC(=O)N(Cc5ccccc5)C4)cc3)n2)cc1 ZINC000021792414 523274647 /nfs/dbraw/zinc/27/46/47/523274647.db2.gz ZJTBQJVLNPTAEH-NRFANRHFSA-N 0 0 468.513 4.399 50 0 JIAARN COc1ccc(-c2noc(-c3cccc(NC(=O)[C@H]4CC(=O)N(Cc5ccccc5)C4)c3)n2)cc1 ZINC000021792326 523275967 /nfs/dbraw/zinc/27/59/67/523275967.db2.gz BZGHKOSGQUYBDR-NRFANRHFSA-N 0 0 468.513 4.399 50 0 JIAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cc(OC)ccc3OC)n2)cc1 ZINC000046012267 523276287 /nfs/dbraw/zinc/27/62/87/523276287.db2.gz HKRKJRATMPENMW-UHFFFAOYSA-N 0 0 461.474 4.447 50 0 JIAARN CCn1c2ccccc2n(Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)c(=O)c1=O ZINC000033272583 523282569 /nfs/dbraw/zinc/28/25/69/523282569.db2.gz LLSAIRACDHVWGW-QHCPKHFHSA-N 0 0 453.542 4.039 50 0 JIAARN CCn1cc(/C=C(\NC(=O)c2ccco2)C(=O)NCCc2ccc(OC)c(OC)c2)c2ccccc21 ZINC000020439199 523302745 /nfs/dbraw/zinc/30/27/45/523302745.db2.gz PDWKZPJATZLWKZ-XLNRJJMWSA-N 0 0 487.556 4.401 50 0 JIAARN COc1ccc(-n2c(CNC(=O)[C@@H]3CCOC(C)(C)C3)nnc2SCc2ccccc2)cc1 ZINC000012454584 523316081 /nfs/dbraw/zinc/31/60/81/523316081.db2.gz TVODJAWZYBRBLZ-LJQANCHMSA-N 0 0 466.607 4.390 50 0 JIAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000006057015 523325047 /nfs/dbraw/zinc/32/50/47/523325047.db2.gz SIEJNSRHGVTIDQ-UHFFFAOYSA-N 0 0 496.614 4.015 50 0 JIAARN COCCCNC(=O)[C@@H](C)C1CCN(C(=O)c2ccc3oc(-c4ccc(C)cc4)nc3c2)CC1 ZINC000065006089 523344531 /nfs/dbraw/zinc/34/45/31/523344531.db2.gz OMWMKWQYCZFXDN-IBGZPJMESA-N 0 0 463.578 4.444 50 0 JIAARN COc1ccc(-n2nc(SCC(=O)Nc3ccc(C)cc3Br)ccc2=O)cc1 ZINC000033128387 523347647 /nfs/dbraw/zinc/34/76/47/523347647.db2.gz LCBRXQVZSXWDIK-UHFFFAOYSA-N 0 0 460.353 4.043 50 0 JIAARN COc1ccc(-n2nc3c(c2C)c(C)nnc3N2CCC[C@H](C(=O)NCc3cccc(F)c3)C2)cc1 ZINC000008594434 523348138 /nfs/dbraw/zinc/34/81/38/523348138.db2.gz YRLMCBICUUQLSO-FQEVSTJZSA-N 0 0 488.567 4.113 50 0 JIAARN COC(=O)Cc1c(C)c2c(OCC(=O)c3c(C)n(C)c4ccc(OC)cc43)cc(C)cc2oc1=O ZINC000002110721 523362918 /nfs/dbraw/zinc/36/29/18/523362918.db2.gz BIFXCULCLSWZDE-UHFFFAOYSA-N 0 0 477.513 4.196 50 0 biogenic JIAARN COCCCNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1cccc(Cl)c1C ZINC000021855365 523363831 /nfs/dbraw/zinc/36/38/31/523363831.db2.gz URFRPEDSZJLQJT-VWLOTQADSA-N 0 0 466.969 4.084 50 0 JIAARN COc1ccc(/C=C/C(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)cc1OC ZINC000021687616 523386303 /nfs/dbraw/zinc/38/63/03/523386303.db2.gz PNRMKOFIPORGMU-ONNFQVAWSA-N 0 0 467.566 4.324 50 0 JIAARN CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3cc(Br)ccc3OC)N2C1=O ZINC000002257543 523422414 /nfs/dbraw/zinc/42/24/14/523422414.db2.gz QCOUIMOHIQMTJC-NVXWUHKLSA-N 0 0 467.385 4.448 50 0 JIAARN COc1ccc(/C=C\C(=O)Nc2nc(C(C)(C)C)cs2)cc1S(=O)(=O)N1CCCCC1 ZINC000033527784 523432341 /nfs/dbraw/zinc/43/23/41/523432341.db2.gz DZZOWLFAMIUNLK-LUAWRHEFSA-N 0 0 463.625 4.276 50 0 JIAARN COc1ccc(Br)cc1/C=C(\NC(=O)c1ccccc1)C(=O)NCc1ccccc1N ZINC000013576652 523488813 /nfs/dbraw/zinc/48/88/13/523488813.db2.gz ULXJLMBOLBTJSX-STZFKDTASA-N 0 0 480.362 4.127 50 0 JIAARN CCn1cc2nc(SCC(=O)Nc3ccc(Cl)cc3)n(CCc3ccccc3)c(=O)c2n1 ZINC000009299990 523489344 /nfs/dbraw/zinc/48/93/44/523489344.db2.gz UXQFNHQCLQSGGC-UHFFFAOYSA-N 0 0 467.982 4.240 50 0 JIAARN COCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2c3ccccc3sc2c1=O ZINC000002687383 523502307 /nfs/dbraw/zinc/50/23/07/523502307.db2.gz VWIZPVQQJIIICL-UHFFFAOYSA-N 0 0 469.588 4.387 50 0 JIAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000040160330 523562019 /nfs/dbraw/zinc/56/20/19/523562019.db2.gz GBLGAPDRKJTXDL-UHFFFAOYSA-N 0 0 455.543 4.364 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)c1ccc(OC)cc1 ZINC000036119338 523648993 /nfs/dbraw/zinc/64/89/93/523648993.db2.gz IHCUNRFWRUPKDS-XMMPIXPASA-N 0 0 494.613 4.050 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(=O)c1ccccc1 ZINC000036117616 523650500 /nfs/dbraw/zinc/65/05/00/523650500.db2.gz XZESBYAYXUXJHH-JOCHJYFZSA-N 0 0 494.613 4.050 50 0 JIAARN COC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000016286550 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CCc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc(OC)cc4)no3)c2=O)cc1 ZINC000064971879 523976197 /nfs/dbraw/zinc/97/61/97/523976197.db2.gz IFAYLNWRFKFWJZ-UHFFFAOYSA-N 0 0 458.518 4.392 50 0 JIAARN CCc1ccc(NC(=O)Cn2c3ccc(C)cc3c3ncn(Cc4nc(C5CC5)no4)c(=O)c32)cc1 ZINC000033281205 523976279 /nfs/dbraw/zinc/97/62/79/523976279.db2.gz IBQJKAGWHPVUPJ-UHFFFAOYSA-N 0 0 482.544 4.169 50 0 JIAARN COc1ccc(CN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C2CC2)cc1 ZINC000014239310 523990857 /nfs/dbraw/zinc/99/08/57/523990857.db2.gz ORPRFGGJUQHQGM-UHFFFAOYSA-N 0 0 450.560 4.325 50 0 JIAARN CCc1ccc(NC(=O)c2cc3cccc(OC)c3o/c2=N\NS(=O)(=O)c2ccccc2)cc1 ZINC000012437587 523991522 /nfs/dbraw/zinc/99/15/22/523991522.db2.gz QZZRZGJTGBTZNP-RFBIWTDZSA-N 0 0 477.542 4.050 50 0 JIAARN CCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000064930946 524011547 /nfs/dbraw/zinc/01/15/47/524011547.db2.gz HTYIBIWPTGXRTP-GOSISDBHSA-N 0 0 460.556 4.018 50 0 JIAARN CCc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)cc1 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C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000040071954 525913095 /nfs/dbraw/zinc/91/30/95/525913095.db2.gz LPLSOMANBYZMPB-FNZWTVRRSA-N 0 0 474.586 4.349 50 0 JIAARN COc1cccc(CN(c2nc3nc(C)c(Cl)c(C)n3n2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000021660110 525927050 /nfs/dbraw/zinc/92/70/50/525927050.db2.gz JPFRZLBCPBQCJY-UHFFFAOYSA-N 0 0 492.388 4.452 50 0 JIAARN Cc1ccc(-n2nc(O[C@@H](C)C(=O)Nc3ccc(Br)c(C)c3)ccc2=O)cc1C ZINC000033125342 525929747 /nfs/dbraw/zinc/92/97/47/525929747.db2.gz BFEINKMZDNUFNO-INIZCTEOSA-N 0 0 456.340 4.326 50 0 JIAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)NCc3cccc(Br)c3)ccc2=O)cc1 ZINC000033128355 525930699 /nfs/dbraw/zinc/93/06/99/525930699.db2.gz JLUCJYMSEDZTDE-HNNXBMFYSA-N 0 0 458.381 4.100 50 0 JIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCC(C(=O)NCCc3ccccc3)CC1)nnc2C ZINC000008594105 525934967 /nfs/dbraw/zinc/93/49/67/525934967.db2.gz QWVIFYSLOLEPFN-UHFFFAOYSA-N 0 0 468.605 4.316 50 0 JIAARN COc1cccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2C)c1OC ZINC000067217253 525974337 /nfs/dbraw/zinc/97/43/37/525974337.db2.gz STLKHIQWCIEVKK-UHFFFAOYSA-N 0 0 495.626 4.490 50 0 JIAARN Cc1c2cnn(CC(=O)NCCc3ccc(Cl)cc3)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417269 525992821 /nfs/dbraw/zinc/99/28/21/525992821.db2.gz AXJJIHVDUNRPTI-UHFFFAOYSA-N 0 0 466.944 4.015 50 0 JIAARN CSc1ccc(CNC(=O)c2ccc(CN3c4ccccc4C(=O)N4CCC[C@@H]4C3=O)cc2)cc1 ZINC000035459272 525999658 /nfs/dbraw/zinc/99/96/58/525999658.db2.gz GRUDWLWYVBFDQE-RUZDIDTESA-N 0 0 485.609 4.490 50 0 JIAARN C[C@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000008719154 526004453 /nfs/dbraw/zinc/00/44/53/526004453.db2.gz ZGWAHAYHINGOEB-LBPRGKRZSA-N 0 0 460.353 4.365 50 0 JIAARN C[C@@H](Sc1ncnc2c1cnn2C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000036397068 526006911 /nfs/dbraw/zinc/00/69/11/526006911.db2.gz KAWBZFXRAFTDFI-ACJLOTCBSA-N 0 0 466.954 4.468 50 0 JIAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C)C(=O)NC(=O)NC1CC1 ZINC000012469060 526008892 /nfs/dbraw/zinc/00/88/92/526008892.db2.gz QTJZMMHIEPPEOS-GXTWGEPZSA-N 0 0 461.657 4.163 50 0 JIAARN C[C@@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000012738003 526012658 /nfs/dbraw/zinc/01/26/58/526012658.db2.gz PNVPTTDPSJDICK-MRXNPFEDSA-N 0 0 487.423 4.289 50 0 JIAARN COc1cccc(CNS(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCCC4)s3)cs2)c1 ZINC000065117130 526029625 /nfs/dbraw/zinc/02/96/25/526029625.db2.gz GGLFSHSHGRSDCL-UHFFFAOYSA-N 0 0 491.660 4.293 50 0 JIAARN Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)CSC3=NNC(C)(C)C(=O)N3)c3ccccc32)cc1 ZINC000012285305 526049157 /nfs/dbraw/zinc/04/91/57/526049157.db2.gz ORMIXCCIKMPHAN-SANMLTNESA-N 0 0 464.635 4.319 50 0 JIAARN COc1cccc(C[C@@H](C2CCN(C(=O)C3C(C)(C)C3(C)C)CC2)N(C)C(=O)c2ccn(C)n2)c1 ZINC000014880174 526069478 /nfs/dbraw/zinc/06/94/78/526069478.db2.gz VLAJOXSXRKCVFA-QHCPKHFHSA-N 0 0 480.653 4.033 50 0 JIAARN Cc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)Cc2ccco2)cc1 ZINC000036061737 526070247 /nfs/dbraw/zinc/07/02/47/526070247.db2.gz VBALEINCQDHZJG-UHFFFAOYSA-N 0 0 495.583 4.036 50 0 JIAARN COc1cccc(Cc2nc3cccnc3n2C2CCN(C(=O)Cc3c(C)noc3C)CC2)c1 ZINC000012218998 526084733 /nfs/dbraw/zinc/08/47/33/526084733.db2.gz VJDOOULHKMHGRW-UHFFFAOYSA-N 0 0 459.550 4.042 50 0 JIAARN COc1cccc(Cc2cnc(NC(=O)[C@@H](CC(C)C)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)s2)c1 ZINC000022417042 526085207 /nfs/dbraw/zinc/08/52/07/526085207.db2.gz YLHDJVSJKMONOE-QHAWAJNXSA-N 0 0 467.591 4.047 50 0 JIAARN Cc1ccc(C(=O)N2CCC([C@H](NC(=O)c3ccccc3Cl)C(=O)N3CCCCC3)CC2)cc1 ZINC000036209783 526087855 /nfs/dbraw/zinc/08/78/55/526087855.db2.gz WFFIMMDNZLQLRX-DEOSSOPVSA-N 0 0 482.024 4.312 50 0 JIAARN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccccc3)cc2)CC1=O ZINC000008924074 526096509 /nfs/dbraw/zinc/09/65/09/526096509.db2.gz TVTJTZFMMNJAMN-CVDCTZTESA-N 0 0 471.509 4.241 50 0 JIAARN CSc1cccc(NC(=O)CN2c3cc(C(=O)N4CCCCC4)ccc3N3CCCC[C@H]3C2=O)c1 ZINC000035446111 526111668 /nfs/dbraw/zinc/11/16/68/526111668.db2.gz DEPCUZIQTFVADU-QHCPKHFHSA-N 0 0 492.645 4.379 50 0 JIAARN CSc1cccc(NC(=O)CN2C(=O)CSc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000045960673 526112926 /nfs/dbraw/zinc/11/29/26/526112926.db2.gz DJBNUPGYBMZSJS-UHFFFAOYSA-N 0 0 455.605 4.112 50 0 JIAARN Cc1ccc2c(=O)c(-c3nc(-c4ccc(F)cc4)no3)cn(CC(=O)N(C)c3ccccc3)c2n1 ZINC000033284201 526113697 /nfs/dbraw/zinc/11/36/97/526113697.db2.gz VWRLNZOGHVJQPU-UHFFFAOYSA-N 0 0 469.476 4.224 50 0 JIAARN Cc1ccc2c(=O)c(-c3nc(-c4ccccc4C)no3)cn(CC(=O)NCCCc3ccccc3)c2n1 ZINC000021655032 526115839 /nfs/dbraw/zinc/11/58/39/526115839.db2.gz BEHHFNHIWDJPEY-UHFFFAOYSA-N 0 0 493.567 4.479 50 0 JIAARN Cc1ccc2c(=O)c(-c3nc(-c4cccc(F)c4)no3)cn(CC(=O)Nc3cccc(F)c3)c2n1 ZINC000033284127 526116991 /nfs/dbraw/zinc/11/69/91/526116991.db2.gz UKMUAXLKZFIAJD-UHFFFAOYSA-N 0 0 473.439 4.339 50 0 JIAARN Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)coc2c1C ZINC000014627354 526123757 /nfs/dbraw/zinc/12/37/57/526123757.db2.gz MZAMZLLMWIEMSU-CALCHBBNSA-N 0 0 456.564 4.029 50 0 JIAARN Cc1cc(=O)c(C(=O)N[C@H]2CCOC(C)(C)C2)c(CCc2ccccc2)n1Cc1ccccn1 ZINC000014993804 526130038 /nfs/dbraw/zinc/13/00/38/526130038.db2.gz XHLXWWGBZJPVIV-QFIPXVFZSA-N 0 0 459.590 4.073 50 0 JIAARN Cc1ccc(C(=O)NCC2CCCCC2)c(C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000037554375 526157622 /nfs/dbraw/zinc/15/76/22/526157622.db2.gz KBEIZXLDJXWCBS-UHFFFAOYSA-N 0 0 455.624 4.268 50 0 JIAARN Cc1ccc2c(c1)CN(CC(=O)N1CCC(C(=O)N3CCCCC3)CC1)C[C@H](c1ccsc1)O2 ZINC000012199217 526163238 /nfs/dbraw/zinc/16/32/38/526163238.db2.gz KDSMUBOKEIXCSH-RUZDIDTESA-N 0 0 481.662 4.243 50 0 JIAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3C[C@H](O)COc3cccc(C)c3)CC2=O)c1 ZINC000016903114 526164656 /nfs/dbraw/zinc/16/46/56/526164656.db2.gz BWUBOTLCAFNDSL-IRLDBZIGSA-N 0 0 471.557 4.314 50 0 JIAARN COc1cccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CN(Cc2ccc(Cl)cc2)CC3)c1 ZINC000020467766 526179029 /nfs/dbraw/zinc/17/90/29/526179029.db2.gz AVCDLUZDYCKJRV-UHFFFAOYSA-N 0 0 470.982 4.133 50 0 JIAARN COc1cccc(NC(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c1OC ZINC000022505080 526195938 /nfs/dbraw/zinc/19/59/38/526195938.db2.gz GRABWYBMWHVENG-UHFFFAOYSA-N 0 0 467.547 4.489 50 0 JIAARN COc1cccc(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccs2)c1 ZINC000004759930 526201516 /nfs/dbraw/zinc/20/15/16/526201516.db2.gz AJVAXOPULMBULK-VXKWHMMOSA-N 0 0 452.532 4.323 50 0 JIAARN Cc1ccc(C(=O)N[C@H](C(=O)NCc2ccco2)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000036213037 526207779 /nfs/dbraw/zinc/20/77/79/526207779.db2.gz SALVKDACCDLURZ-DEOSSOPVSA-N 0 0 493.991 4.209 50 0 JIAARN Cc1ccc2c(c1)n(Cc1ccccc1Cl)c(=O)c1nc(C(=O)Nc3cccc(F)c3)nn12 ZINC000033274319 526219176 /nfs/dbraw/zinc/21/91/76/526219176.db2.gz YWNHKGMHYHCFEV-UHFFFAOYSA-N 0 0 461.884 4.446 50 0 JIAARN CSc1nn(CC(=O)NCc2ccc(Cl)cc2)c(N)c1-c1nc(-c2ccc(C)cc2)no1 ZINC000046914529 526223685 /nfs/dbraw/zinc/22/36/85/526223685.db2.gz XTINNHYCAGPKCV-UHFFFAOYSA-N 0 0 468.970 4.182 50 0 JIAARN CSc1nn(CC(=O)Nc2ccc(F)cc2F)c(N)c1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000046914925 526224914 /nfs/dbraw/zinc/22/49/14/526224914.db2.gz QLUJZLBOPQEKPE-UHFFFAOYSA-N 0 0 476.896 4.475 50 0 JIAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)NC(C)(C)C)C2CC2)c1 ZINC000036122350 526235284 /nfs/dbraw/zinc/23/52/84/526235284.db2.gz GTSPZCCUMAGIDH-NRFANRHFSA-N 0 0 471.623 4.234 50 0 JIAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)NC(C)(C)C)C(C)C)c1 ZINC000036122318 526235534 /nfs/dbraw/zinc/23/55/34/526235534.db2.gz BEEBWLBKTZTQQS-NRFANRHFSA-N 0 0 473.639 4.480 50 0 JIAARN Cc1ccc(C(=O)[C@@H]2c3c4ccccc4[nH]c3Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1 ZINC000039145495 526240967 /nfs/dbraw/zinc/24/09/67/526240967.db2.gz PMMJUNLIEQSKIB-JOCHJYFZSA-N 0 0 462.509 4.446 50 0 JIAARN Cc1ccc2nc(NC(=O)[C@H](C)NS(=O)(=O)c3cc(-c4noc(C5CC5)n4)ccc3C)sc2c1 ZINC000033276248 526253769 /nfs/dbraw/zinc/25/37/69/526253769.db2.gz LUILCLKIRHINAN-AWEZNQCLSA-N 0 0 497.602 4.146 50 0 JIAARN Cc1ccc(C)c(-n2c(S[C@H](C)C(=O)N3CCNC3=O)nnc2-c2ccccc2Cl)c1 ZINC000021602891 526256999 /nfs/dbraw/zinc/25/69/99/526256999.db2.gz WDTNMNURDWJYDO-OAHLLOKOSA-N 0 0 455.971 4.237 50 0 JIAARN Cc1ccc2ncc(C(=O)N3CCSCC3)c(S(=O)(=O)c3ccc(Br)cc3)c2c1 ZINC000033249379 526257051 /nfs/dbraw/zinc/25/70/51/526257051.db2.gz HXWLDIRQBMMNPI-UHFFFAOYSA-N 0 0 491.432 4.328 50 0 JIAARN Cc1ccc(C)c(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000005981471 526257467 /nfs/dbraw/zinc/25/74/67/526257467.db2.gz NWFXJIFBLUWQCS-LJQANCHMSA-N 0 0 490.050 4.205 50 0 JIAARN C[C@H]1CCCN(C(=O)CSc2nc3c4cccnc4sc3c(=O)n2Cc2ccccc2)C1 ZINC000045922900 526264868 /nfs/dbraw/zinc/26/48/68/526264868.db2.gz KVUSVEXNIGHGGP-INIZCTEOSA-N 0 0 464.616 4.405 50 0 JIAARN Cc1nn(CC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 ZINC000014183611 526268963 /nfs/dbraw/zinc/26/89/63/526268963.db2.gz CVLNCTVTMXAEBA-UHFFFAOYSA-N 0 0 463.559 4.464 50 0 JIAARN O[C@H](COCc1ccco1)CN(Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146625 526287743 /nfs/dbraw/zinc/28/77/43/526287743.db2.gz YFQMTLMAFDFKPY-RBBKRZOGSA-N 0 0 498.963 4.235 50 0 JIAARN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000033504093 526291344 /nfs/dbraw/zinc/29/13/44/526291344.db2.gz IJBTXMCELZWMFA-KHPPLWFESA-N 0 0 499.354 4.088 50 0 JIAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OCC(=O)Nc3ccc(C(N)=O)cc3)cc12 ZINC000013150133 526297723 /nfs/dbraw/zinc/29/77/23/526297723.db2.gz OQZXDTZCDUSWFK-UHFFFAOYSA-N 0 0 482.949 4.002 50 0 JIAARN O=C(C1CCCCC1)N1CCC(Oc2cccc(CN3CCN(c4ccccn4)CC3)c2)CC1 ZINC000014982812 526298888 /nfs/dbraw/zinc/29/88/88/526298888.db2.gz QCJOSQVVKRQNCK-UHFFFAOYSA-N 0 0 462.638 4.354 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000044441143 526303265 /nfs/dbraw/zinc/30/32/65/526303265.db2.gz KLBNPQZWRZYGSE-LJQANCHMSA-N 0 0 480.615 4.317 50 0 JIAARN Fc1ccc(Br)cc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2nnnn21 ZINC000002914762 526324986 /nfs/dbraw/zinc/32/49/86/526324986.db2.gz JMDLWECQICIRLD-CABCVRRESA-N 0 0 453.113 4.484 50 0 JIAARN O=C(NCCc1csc(-c2ccccc2)n1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000033140271 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0 JIAARN CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Br)c1 ZINC000000676562 553750179 /nfs/dbraw/zinc/75/01/79/553750179.db2.gz ASLHROVGNMUAAR-UHFFFAOYSA-N 0 0 481.412 4.204 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 ZINC000000676958 553750493 /nfs/dbraw/zinc/75/04/93/553750493.db2.gz XIGGNKZDXCDINT-UHFFFAOYSA-N 0 0 453.589 4.337 50 0 JIAARN Cc1c(NC(=O)c2ccc(Br)cc2Br)c(=O)n(-c2ccccc2)n1C ZINC000000682350 553754459 /nfs/dbraw/zinc/75/44/59/553754459.db2.gz VQXXLQOQUNLBFP-UHFFFAOYSA-N 0 0 465.145 4.262 50 0 JIAARN COc1ccccc1-c1nc(S[C@H]2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)n[nH]1 ZINC000000684948 553756236 /nfs/dbraw/zinc/75/62/36/553756236.db2.gz VLAQVSPIZXDGQO-FQEVSTJZSA-N 0 0 480.590 4.262 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3)n2C)cc1 ZINC000000687497 553757516 /nfs/dbraw/zinc/75/75/16/553757516.db2.gz ORDAOUVROSGFRL-CQSZACIVSA-N 0 0 473.986 4.089 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000000707231 553764143 /nfs/dbraw/zinc/76/41/43/553764143.db2.gz WQUHMQWAWKHDAH-CBIIRDDDSA-N 0 0 490.606 4.022 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1Br ZINC000000710979 553766691 /nfs/dbraw/zinc/76/66/91/553766691.db2.gz MOBZPBPGPJFLTH-UHFFFAOYSA-N 0 0 490.217 4.494 50 0 JIAARN CC(=O)Oc1c(Br)cc(/C=C2/N=C(c3ccccc3)OC2=O)cc1Br ZINC000000711826 553766997 /nfs/dbraw/zinc/76/69/97/553766997.db2.gz MQVHIVAVBVKDSA-OQLLNIDSSA-N 0 0 465.097 4.481 50 0 JIAARN CCOC(=O)c1ccc(NC(=S)NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000000724313 553773562 /nfs/dbraw/zinc/77/35/62/553773562.db2.gz YIROYCYXMNXFFY-UHFFFAOYSA-N 0 0 488.734 4.248 50 0 JIAARN COc1ccc(CC(=O)N(CC(=O)N(Cc2ccco2)Cc2ccc(F)cc2)C2CC2)cc1 ZINC000000741721 553776569 /nfs/dbraw/zinc/77/65/69/553776569.db2.gz UNIGLDUVSAVUEH-UHFFFAOYSA-N 0 0 450.510 4.190 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc2c(c1)OCO2)Nc1ccccc1Cl ZINC000000755482 553777767 /nfs/dbraw/zinc/77/77/67/553777767.db2.gz UCUXZODVRYSALP-UHFFFAOYSA-N 0 0 465.918 4.499 50 0 JIAARN CCC(=O)Oc1c(OC)cc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1OC ZINC000000822873 553786919 /nfs/dbraw/zinc/78/69/19/553786919.db2.gz VVKATNDPLLLGAK-DHDCSXOGSA-N 0 0 460.280 4.126 50 0 JIAARN CCC(=O)Oc1c(OC)cc(/C=C2/N=C(c3ccccc3Br)OC2=O)cc1OC ZINC000000822872 553786990 /nfs/dbraw/zinc/78/69/90/553786990.db2.gz VVKATNDPLLLGAK-OQLLNIDSSA-N 0 0 460.280 4.126 50 0 JIAARN CCOc1ccc(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000827628 553789227 /nfs/dbraw/zinc/78/92/27/553789227.db2.gz HVURRTITSLPZMV-UHFFFAOYSA-N 0 0 454.548 4.236 50 0 JIAARN COc1ccc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000000827604 553789278 /nfs/dbraw/zinc/78/92/78/553789278.db2.gz APFKSOAIGBCKME-UHFFFAOYSA-N 0 0 484.574 4.163 50 0 JIAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Br)ccc1I ZINC000000828030 553789436 /nfs/dbraw/zinc/78/94/36/553789436.db2.gz KRSKSBXRWHJCJO-UHFFFAOYSA-N 0 0 487.135 4.143 50 0 JIAARN CN(c1ccc(C(=O)Nc2ccc(I)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000000835466 553791461 /nfs/dbraw/zinc/79/14/61/553791461.db2.gz WPLBNPWTICQSEA-UHFFFAOYSA-N 0 0 492.338 4.369 50 0 JIAARN O=C(NC[C@H]1CCCO1)c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000000845244 553795933 /nfs/dbraw/zinc/79/59/33/553795933.db2.gz KTRFZHLMRNNVLV-CYBMUJFWSA-N 0 0 469.261 4.086 50 0 JIAARN O=C(COC(=O)c1cc(C(=O)OCC(=O)c2ccccc2)c2ccccc2n1)c1ccccc1 ZINC000000866194 553805581 /nfs/dbraw/zinc/80/55/81/553805581.db2.gz LBGAYSMFOJSNCP-UHFFFAOYSA-N 0 0 453.450 4.314 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2OC)c2ccc(C)cc2)cc1 ZINC000000870041 553808489 /nfs/dbraw/zinc/80/84/89/553808489.db2.gz LNOTVFXZQWRICI-UHFFFAOYSA-N 0 0 454.548 4.236 50 0 JIAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1ccc(Br)cc1 ZINC000000873110 553810815 /nfs/dbraw/zinc/81/08/15/553810815.db2.gz OZXFBXAFGIGWHR-UHFFFAOYSA-N 0 0 470.352 4.475 50 0 JIAARN COc1cc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc(OC)c1OC ZINC000000919593 553850990 /nfs/dbraw/zinc/85/09/90/553850990.db2.gz KHPKBYYILFXKNF-PXAZEXFGSA-N 0 0 466.416 4.415 50 0 JIAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 ZINC000000921631 553854669 /nfs/dbraw/zinc/85/46/69/553854669.db2.gz ZMBZJLVTLFDBLZ-UHFFFAOYSA-N 0 0 464.971 4.073 50 0 JIAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000000933620 553872213 /nfs/dbraw/zinc/87/22/13/553872213.db2.gz SBFUFDGBQDDATH-UHFFFAOYSA-N 0 0 480.627 4.132 50 0 JIAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3F)C3CCCC3)cc2)C1 ZINC000000933709 553872278 /nfs/dbraw/zinc/87/22/78/553872278.db2.gz HOYVLRMYIUWDMQ-IBGZPJMESA-N 0 0 494.654 4.380 50 0 JIAARN O=C1N[C@H](c2ccccc2)C2[C@@H](c3ccccc3)NC(=O)NC2(c2ccc(Br)cc2)N1 ZINC000000939778 553876021 /nfs/dbraw/zinc/87/60/21/553876021.db2.gz JCNGEUSSAQRQEZ-YQORSWRPSA-N 0 0 477.362 4.326 50 0 JIAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000945131 553879028 /nfs/dbraw/zinc/87/90/28/553879028.db2.gz FXINDHYVWGHQQU-UHFFFAOYSA-N 0 0 479.583 4.237 50 0 JIAARN COc1cc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2C(C)=O)c(Br)c(OC)c1OC ZINC000000946486 553879353 /nfs/dbraw/zinc/87/93/53/553879353.db2.gz IHGNSMWYEUIVBP-UHFFFAOYSA-N 0 0 491.290 4.312 50 0 JIAARN COc1cc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1 ZINC000000949756 553880397 /nfs/dbraw/zinc/88/03/97/553880397.db2.gz FGKDQYBQEIOMLJ-DEOSSOPVSA-N 0 0 468.517 4.188 50 0 JIAARN O=C(CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1)N1CCOCC1 ZINC000000952917 553882138 /nfs/dbraw/zinc/88/21/38/553882138.db2.gz FNYGZTSRZVHCGL-UHFFFAOYSA-N 0 0 463.584 4.065 50 0 JIAARN O=C(CSc1ncnc2scc(-c3ccc(Br)cc3)c21)N1CCOCC1 ZINC000000955565 553883435 /nfs/dbraw/zinc/88/34/35/553883435.db2.gz KOKXHIROCDSGEF-UHFFFAOYSA-N 0 0 450.383 4.072 50 0 JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OCc2ccc(C)cc2)cc1 ZINC000000958977 553885107 /nfs/dbraw/zinc/88/51/07/553885107.db2.gz KUZCTWPLUAGHOY-VWLOTQADSA-N 0 0 482.544 4.497 50 0 JIAARN COc1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)cc1 ZINC000000959933 553886063 /nfs/dbraw/zinc/88/60/63/553886063.db2.gz GCPWFTJZIOGZPJ-UHFFFAOYSA-N 0 0 461.905 4.379 50 0 JIAARN COc1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)c1 ZINC000000960027 553886371 /nfs/dbraw/zinc/88/63/71/553886371.db2.gz HWHVJBQXKHQXPH-UHFFFAOYSA-N 0 0 461.905 4.379 50 0 JIAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O ZINC000000986085 553893387 /nfs/dbraw/zinc/89/33/87/553893387.db2.gz RIRQHHDSWGOQFR-PMERELPUSA-N 0 0 496.563 4.347 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Oc1cccc(NC(=O)c2ccco2)c1 ZINC000000991075 553895443 /nfs/dbraw/zinc/89/54/43/553895443.db2.gz OIAKFXVMCGMRES-UHFFFAOYSA-N 0 0 468.531 4.234 50 0 JIAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(Br)ccc2Br)c1 ZINC000001017169 553900202 /nfs/dbraw/zinc/90/02/02/553900202.db2.gz YLYLYQUDBGXRMC-UHFFFAOYSA-N 0 0 471.101 4.037 50 0 JIAARN CCOC(=O)C1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 ZINC000001032043 553901167 /nfs/dbraw/zinc/90/11/67/553901167.db2.gz GFLLCGAKARMBJW-LJQANCHMSA-N 0 0 497.393 4.220 50 0 JIAARN NC(=O)C1CCN(c2nc(Nc3ccc(Cl)cc3)nc(Nc3ccc(Cl)cc3)n2)CC1 ZINC000001176321 553926684 /nfs/dbraw/zinc/92/66/84/553926684.db2.gz VCYQEYMLRMEBID-UHFFFAOYSA-N 0 0 458.353 4.367 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1ccccc1Cl ZINC000002056606 554014251 /nfs/dbraw/zinc/01/42/51/554014251.db2.gz UWJNTYRQNRNQGV-SQWSFHKJSA-N 0 0 473.381 4.105 50 0 JIAARN CCOC(=O)CN(C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1ccccc1 ZINC000002074149 554023974 /nfs/dbraw/zinc/02/39/74/554023974.db2.gz NYBGSAPZDOAMFE-UHFFFAOYSA-N 0 0 487.585 4.326 50 0 JIAARN CCc1cc(=O)oc2c(C)c(OC(=O)CCCCCNS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002092199 554035623 /nfs/dbraw/zinc/03/56/23/554035623.db2.gz SCYLDCCWUYRWNO-UHFFFAOYSA-N 0 0 471.575 4.417 50 0 biogenic JIAARN CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 ZINC000002092153 554035637 /nfs/dbraw/zinc/03/56/37/554035637.db2.gz KTULRHGHHNYNRG-HXUWFJFHSA-N 0 0 471.575 4.469 50 0 biogenic JIAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(C)cc4)CC(=O)N32)cc1 ZINC000002092422 554035925 /nfs/dbraw/zinc/03/59/25/554035925.db2.gz HDRHSPSWXIOFCS-LSYYVWMOSA-N 0 0 465.553 4.370 50 0 biogenic JIAARN CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002092944 554036512 /nfs/dbraw/zinc/03/65/12/554036512.db2.gz YAFZCMWIBLGFSP-HSZRJFAPSA-N 0 0 477.538 4.431 50 0 JIAARN COc1ccc(CN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000002093434 554037017 /nfs/dbraw/zinc/03/70/17/554037017.db2.gz ZETONVCQJKAJOK-LSYYVWMOSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN CC[C@H](C)N1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(Br)cc2)C1=O ZINC000002100356 554042357 /nfs/dbraw/zinc/04/23/57/554042357.db2.gz CDXWRRZCXWBXLB-WRPOGVCQSA-N 0 0 466.379 4.414 50 0 biogenic JIAARN COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCC(C)CC4)CC(=O)N32)c1 ZINC000002102067 554043015 /nfs/dbraw/zinc/04/30/15/554043015.db2.gz UIJRIVDBSAZYHG-GMZPCIEUSA-N 0 0 487.600 4.449 50 0 biogenic JIAARN COC(=O)c1cc(NC(=O)CSc2ncnc3sc4c(c32)CC[C@H](C)C4)cc(C(=O)OC)c1 ZINC000002106705 554046672 /nfs/dbraw/zinc/04/66/72/554046672.db2.gz ZKTCBFJYZVIJMF-LBPRGKRZSA-N 0 0 485.587 4.120 50 0 JIAARN COc1cc([C@@H](O)[P@@](=O)(OCCC(C)C)c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000002106866 554046991 /nfs/dbraw/zinc/04/69/91/554046991.db2.gz LOMUWQZWYSXTKI-FWUCURJTSA-N 0 0 451.500 4.436 50 0 JIAARN COc1cc(-c2nc(C(=O)NC[C@H]3CCCO3)cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000002120740 554055688 /nfs/dbraw/zinc/05/56/88/554055688.db2.gz UNOZKAJTQWGIOS-MRXNPFEDSA-N 0 0 461.518 4.318 50 0 biogenic JIAARN COC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(OC)c3)N2C1=O ZINC000002122624 554056900 /nfs/dbraw/zinc/05/69/00/554056900.db2.gz GMLROMJNDMVNMR-UKILVPOCSA-N 0 0 481.508 4.446 50 0 biogenic JIAARN Cc1ccc(C(=O)NC[C@H](C)NC(=O)c2ccc(C)c(Br)c2)cc1Br ZINC000002134868 554061709 /nfs/dbraw/zinc/06/17/09/554061709.db2.gz ZUIZHFNKPDVMHY-ZDUSSCGKSA-N 0 0 468.189 4.377 50 0 JIAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000002153203 554071037 /nfs/dbraw/zinc/07/10/37/554071037.db2.gz OQQLMLVQQWKLGJ-DEOSSOPVSA-N 0 0 457.482 4.304 50 0 biogenic JIAARN COc1ccc(CN2CC(=O)N3[C@H](c4ccc(C)cc4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1OC ZINC000002153744 554071393 /nfs/dbraw/zinc/07/13/93/554071393.db2.gz PXHPZGSWLMINKB-PWUYWRBVSA-N 0 0 495.579 4.379 50 0 biogenic JIAARN CC[C@H](C)NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002178368 554078613 /nfs/dbraw/zinc/07/86/13/554078613.db2.gz SLSCAFMQERNKEQ-AWEZNQCLSA-N 0 0 473.820 4.208 50 0 JIAARN CCCCCCNC(=O)CSC1=N/C(=C/c2cc(Br)ccc2O)C(=O)N1CC ZINC000002184450 554082013 /nfs/dbraw/zinc/08/20/13/554082013.db2.gz CWCFNLVIOLDQEB-FOWTUZBSSA-N 0 0 468.417 4.143 50 0 JIAARN COC(=O)[C@@](NC(=O)c1cccc(C)c1)(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000002190728 554085874 /nfs/dbraw/zinc/08/58/74/554085874.db2.gz CXTTZTWBZVKEQC-KRWDZBQOSA-N 0 0 450.335 4.167 50 0 JIAARN Cc1c2cc(Cl)c(OCC(=O)Nc3ccc(Br)cc3)cc2oc(=O)c1C[C@@H](C)O ZINC000002194948 554088638 /nfs/dbraw/zinc/08/86/38/554088638.db2.gz HYVSQYGLIHVJAP-LLVKDONJSA-N 0 0 480.742 4.458 50 0 JIAARN O=C(CSc1nc2ccccc2s1)NCCNC(=O)CSc1nc2ccccc2s1 ZINC000002257315 554119628 /nfs/dbraw/zinc/11/96/28/554119628.db2.gz SRECOONZMCJRJA-UHFFFAOYSA-N 0 0 474.658 4.023 50 0 JIAARN COc1ccc(CCNC(=O)c2c(N)n(Cc3ccc(F)cc3)c3nc4ccccc4nc32)cc1OC ZINC000002286072 554132855 /nfs/dbraw/zinc/13/28/55/554132855.db2.gz CFDIUICEHQGVCL-UHFFFAOYSA-N 0 0 499.546 4.344 50 0 JIAARN COc1ccc(CCNC(=O)c2c(N)n(-c3cccc(F)c3)c3nc4ccccc4nc32)cc1 ZINC000002290439 554134591 /nfs/dbraw/zinc/13/45/91/554134591.db2.gz YAUUEHZEVYKDMR-UHFFFAOYSA-N 0 0 455.493 4.276 50 0 JIAARN COc1ccc(CNC(=O)c2c(N)n(CCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002291640 554135908 /nfs/dbraw/zinc/13/59/08/554135908.db2.gz VTFNPOGAOVHMDK-UHFFFAOYSA-N 0 0 451.530 4.348 50 0 JIAARN CCOc1cc(/C=C2\N=C(c3ccco3)OC2=O)cc(I)c1OCC ZINC000002303055 554140475 /nfs/dbraw/zinc/14/04/75/554140475.db2.gz NPRNLPRIOYENKJ-LCYFTJDESA-N 0 0 453.232 4.026 50 0 JIAARN COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000002304165 554141158 /nfs/dbraw/zinc/14/11/58/554141158.db2.gz NRIIBVMDBJLAMR-ZDQFFALBSA-N 0 0 499.567 4.022 50 0 JIAARN CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)C[C@@H](C(C)C)OC3 ZINC000002315452 554145420 /nfs/dbraw/zinc/14/54/20/554145420.db2.gz SDJXLEGTYOSPQQ-KRWDZBQOSA-N 0 0 498.630 4.156 50 0 JIAARN COc1ccc(NC(=O)[C@H](CCSC)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000002328910 554150379 /nfs/dbraw/zinc/15/03/79/554150379.db2.gz VRRPGQJMPPUFOZ-KRWDZBQOSA-N 0 0 453.347 4.358 50 0 JIAARN Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000002358123 554164562 /nfs/dbraw/zinc/16/45/62/554164562.db2.gz HOXQVKPXIPYTRW-LYXWCMDISA-N 0 0 470.356 4.041 50 0 JIAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)c(Br)c1 ZINC000002369370 554169734 /nfs/dbraw/zinc/16/97/34/554169734.db2.gz 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COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1 ZINC000006348623 554531974 /nfs/dbraw/zinc/53/19/74/554531974.db2.gz VQJHAUTZLYRLOM-JOCHJYFZSA-N 0 0 451.548 4.258 50 0 JIAARN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1cccnc1 ZINC000006429429 554535949 /nfs/dbraw/zinc/53/59/49/554535949.db2.gz RIPPADHQXOFGFP-JAIQZWGSSA-N 0 0 450.495 4.303 50 0 JIAARN CCCC(=O)N1CCN(c2ccc(C(=O)c3ccc(OC)c(Br)c3)cc2F)CC1 ZINC000006549299 554550474 /nfs/dbraw/zinc/55/04/74/554550474.db2.gz DSHVSUXOWYXVRH-UHFFFAOYSA-N 0 0 463.347 4.277 50 0 JIAARN Cc1nn2c(nc(C)c(CCC(=O)N3CCN(c4ccccn4)CC3)c2C)c1-c1ccc(F)cc1 ZINC000006577759 554553393 /nfs/dbraw/zinc/55/33/93/554553393.db2.gz SJUYDHBGNBAOKJ-UHFFFAOYSA-N 0 0 472.568 4.137 50 0 JIAARN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(I)o4)cc3n2)cc1 ZINC000008384518 554567645 /nfs/dbraw/zinc/56/76/45/554567645.db2.gz MSWCRNZPCGKWDL-UHFFFAOYSA-N 0 0 474.258 4.269 50 0 JIAARN CCOc1cc(Br)c(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC ZINC000008396041 554570718 /nfs/dbraw/zinc/57/07/18/554570718.db2.gz KPAKWUJJFHDLLE-RQZCQDPDSA-N 0 0 463.303 4.479 50 0 JIAARN C[C@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000008400004 554575011 /nfs/dbraw/zinc/57/50/11/554575011.db2.gz OESRWGGDCKETCF-LJQANCHMSA-N 0 0 454.611 4.360 50 0 JIAARN CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OCC ZINC000008400588 554575763 /nfs/dbraw/zinc/57/57/63/554575763.db2.gz AWOOFIDIHRGLIB-BKUYFWCQSA-N 0 0 498.557 4.011 50 0 JIAARN CC(C)Cn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccc(F)cc1 ZINC000008443431 554593019 /nfs/dbraw/zinc/59/30/19/554593019.db2.gz LRAZMODPVIWFNK-BZZOAKBMSA-N 0 0 475.611 4.265 50 0 JIAARN Cc1ccc(NC(=O)[C@H](c2ccncc2)N(Cc2ccco2)C(=O)CNC(=O)c2ccccc2)cc1 ZINC000008445605 554595036 /nfs/dbraw/zinc/59/50/36/554595036.db2.gz VIZVRAYQHQCWTB-SANMLTNESA-N 0 0 482.540 4.122 50 0 JIAARN CCOC(=O)c1sc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(O)cc2)nc1C ZINC000008590356 554602571 /nfs/dbraw/zinc/60/25/71/554602571.db2.gz HSEASQMPZVNOTR-SFHVURJKSA-N 0 0 480.473 4.329 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)CCc3nc(-c4cccs4)no3)c2)cc1 ZINC000008745423 554648523 /nfs/dbraw/zinc/64/85/23/554648523.db2.gz IFPPQZPHCDDJII-UHFFFAOYSA-N 0 0 484.559 4.179 50 0 JIAARN CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)cc1 ZINC000008752909 554654532 /nfs/dbraw/zinc/65/45/32/554654532.db2.gz XEXVBYPQQIIXCC-MHZLTWQESA-N 0 0 457.530 4.474 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(Br)cc1F ZINC000008754328 554656141 /nfs/dbraw/zinc/65/61/41/554656141.db2.gz SSCBHVCBUNYJID-UHFFFAOYSA-N 0 0 455.349 4.324 50 0 JIAARN O=C(NC1CC1)[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000008754676 554656378 /nfs/dbraw/zinc/65/63/78/554656378.db2.gz ZHKZPOSTNWYCHI-RXVVDRJESA-N 0 0 469.994 4.341 50 0 JIAARN CN1C(=O)N(C)C(=O)C2(Cc3cc(C(F)(F)F)ccc3N3CC[C@@H](Cc4ccccc4)C[C@H]32)C1=O ZINC000008773754 554673245 /nfs/dbraw/zinc/67/32/45/554673245.db2.gz OATGMABRWHPTOA-UWJYYQICSA-N 0 0 485.506 4.126 50 0 JIAARN Cc1ccccc1-n1c(SCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)nnc1-c1cccnc1 ZINC000008775901 554674258 /nfs/dbraw/zinc/67/42/58/554674258.db2.gz WJTPIGFQTJWZSU-QGZVFWFLSA-N 0 0 473.558 4.336 50 0 JIAARN CCn1c(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)nnc1-c1ccoc1C ZINC000008778025 554675004 /nfs/dbraw/zinc/67/50/04/554675004.db2.gz XDYLZBLLXHVXAQ-UHFFFAOYSA-N 0 0 453.568 4.270 50 0 JIAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccc(-n2ccnc2)cc1 ZINC000008778812 554675677 /nfs/dbraw/zinc/67/56/77/554675677.db2.gz NDIBVHPMSQVEJF-HXUWFJFHSA-N 0 0 492.645 4.029 50 0 JIAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)N(C)c3cccc(OC)n3)[C@@H]2c2ccccc2OC)cc1 ZINC000008780535 554677563 /nfs/dbraw/zinc/67/75/63/554677563.db2.gz CNMACWVMEDCZRP-RLWLMLJZSA-N 0 0 475.545 4.255 50 0 JIAARN C[C@@]12c3[nH]c4ccccc4c3[C@H](c3ccc(Br)cc3)CN1C(=O)CN(C1CC1)C2=O ZINC000008789190 554681421 /nfs/dbraw/zinc/68/14/21/554681421.db2.gz FMXJAWHDQWSVPY-UUOWRZLLSA-N 0 0 464.363 4.124 50 0 biogenic JIAARN CCN(CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCCCC1)S2)c1ccccc1 ZINC000008812868 554694811 /nfs/dbraw/zinc/69/48/11/554694811.db2.gz YRVSTTNSPZXHHV-VWLOTQADSA-N 0 0 452.624 4.189 50 0 JIAARN O=C(CSc1nc2ccccc2[nH]1)NCCCCCCNC(=O)CSc1nc2ccccc2[nH]1 ZINC000008813843 554696163 /nfs/dbraw/zinc/69/61/63/554696163.db2.gz GWERMWVWICGWAY-UHFFFAOYSA-N 0 0 496.662 4.116 50 0 JIAARN CC[C@@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000008815747 554697160 /nfs/dbraw/zinc/69/71/60/554697160.db2.gz AYIUXFNMJWPNCM-SKCQWOFPSA-N 0 0 471.941 4.366 50 0 JIAARN C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2)c1)C(=O)N1CCc2ccccc21 ZINC000008824928 554712505 /nfs/dbraw/zinc/71/25/05/554712505.db2.gz YQCAKLYUUFRXMR-KRWDZBQOSA-N 0 0 498.988 4.300 50 0 JIAARN CC[C@H](C)N(C(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000008825127 554713035 /nfs/dbraw/zinc/71/30/35/554713035.db2.gz MLIYPFIKCNHLIR-RXVVDRJESA-N 0 0 494.613 4.181 50 0 JIAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c(C)c1 ZINC000008840967 554740029 /nfs/dbraw/zinc/74/00/29/554740029.db2.gz ZCWUHKVBZFEIQV-UHFFFAOYSA-N 0 0 457.596 4.470 50 0 JIAARN COc1cc([C@@H]2Nc3sc(C)c(C)c3C(=O)N2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000008842980 554740257 /nfs/dbraw/zinc/74/02/57/554740257.db2.gz FUJLBISNXZSERY-QFIPXVFZSA-N 0 0 498.557 4.473 50 0 JIAARN CC(C)CNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1 ZINC000008843372 554740673 /nfs/dbraw/zinc/74/06/73/554740673.db2.gz PBFWMUYOUODCRJ-UHFFFAOYSA-N 0 0 460.559 4.483 50 0 JIAARN COc1cc(Br)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc1OC ZINC000008843642 554740971 /nfs/dbraw/zinc/74/09/71/554740971.db2.gz XAZWZFBYOBICFG-FQEVSTJZSA-N 0 0 474.355 4.350 50 0 JIAARN COc1cccc(-c2c(=O)c3ccccc3oc2NC(=O)CN2CCN(c3ccccc3F)CC2)c1 ZINC000008844400 554741323 /nfs/dbraw/zinc/74/13/23/554741323.db2.gz DZWHVNMBXKCLBE-UHFFFAOYSA-N 0 0 487.531 4.368 50 0 JIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)n[nH]2)c(O)c1C ZINC000008845664 554743359 /nfs/dbraw/zinc/74/33/59/554743359.db2.gz LKLYMTWETSBQJS-UHFFFAOYSA-N 0 0 468.579 4.216 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(C)c3)cs2)cc1 ZINC000008850545 554747678 /nfs/dbraw/zinc/74/76/78/554747678.db2.gz PYLOLBJWBHGWOA-UHFFFAOYSA-N 0 0 454.577 4.322 50 0 JIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)NCc3ccccc3Cl)cs2)c1 ZINC000008850926 554747928 /nfs/dbraw/zinc/74/79/28/554747928.db2.gz SNLNFFVQMWWJQJ-UHFFFAOYSA-N 0 0 461.996 4.395 50 0 JIAARN Cc1ccc(S(=O)(=O)NCCC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1C ZINC000008851875 554748489 /nfs/dbraw/zinc/74/84/89/554748489.db2.gz UKTZMIZEMUDSHM-OAQYLSRUSA-N 0 0 493.629 4.444 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CSc3nnc(-c4cccnc4)n3C)[C@@H](c3ccco3)C2)cc1 ZINC000008861295 554758281 /nfs/dbraw/zinc/75/82/81/554758281.db2.gz JEFPVGUNVDXCSP-HXUWFJFHSA-N 0 0 458.547 4.249 50 0 JIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CSc2nncn2-c2ccccc2)cc1 ZINC000008862022 554759503 /nfs/dbraw/zinc/75/95/03/554759503.db2.gz UVVADVGVSSKRDQ-UHFFFAOYSA-N 0 0 459.531 4.259 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCCc1ccccc1 ZINC000008876309 554771504 /nfs/dbraw/zinc/77/15/04/554771504.db2.gz MQJIDHWFMDIVBJ-DDZQDEOBSA-N 0 0 493.673 4.315 50 0 biogenic JIAARN O=C(OCc1ncc(-c2ccccc2)o1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F ZINC000008877821 554773303 /nfs/dbraw/zinc/77/33/03/554773303.db2.gz ACUKYIBACSVZOA-NRFANRHFSA-N 0 0 480.517 4.114 50 0 JIAARN COc1ccc2[nH]cc(CCNC(=O)CCc3c(C)c4ccc(OC(C)=O)c(C)c4oc3=O)c2c1 ZINC000008877984 554773510 /nfs/dbraw/zinc/77/35/10/554773510.db2.gz MBAMUFVCARSFKA-UHFFFAOYSA-N 0 0 476.529 4.117 50 0 biogenic JIAARN COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000008878057 554773596 /nfs/dbraw/zinc/77/35/96/554773596.db2.gz BEHWEBWCWWMJIQ-UHFFFAOYSA-N 0 0 451.544 4.046 50 0 JIAARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000008879111 554774800 /nfs/dbraw/zinc/77/48/00/554774800.db2.gz WLHOTIYKURHJQH-UHFFFAOYSA-N 0 0 498.333 4.097 50 0 JIAARN CCc1ccc(-c2csc(NC(=O)C3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)cc1 ZINC000008881426 554776458 /nfs/dbraw/zinc/77/64/58/554776458.db2.gz JHMVKCMZSJJHOS-UHFFFAOYSA-N 0 0 480.615 4.172 50 0 JIAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)C1=O ZINC000008882940 554777810 /nfs/dbraw/zinc/77/78/10/554777810.db2.gz GVYQQSYTWJUMRC-CLOONOSVSA-N 0 0 492.626 4.431 50 0 JIAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N[C@@H]2CCCC[C@H]2C)s1 ZINC000008912491 554802918 /nfs/dbraw/zinc/80/29/18/554802918.db2.gz CEBXOPJWGPNOOW-NVXWUHKLSA-N 0 0 456.655 4.459 50 0 JIAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)cc1 ZINC000008915252 554808724 /nfs/dbraw/zinc/80/87/24/554808724.db2.gz MOBWCFHRJLZEBR-GOSISDBHSA-N 0 0 454.548 4.307 50 0 JIAARN COc1cccc(CN(C(=O)c2oc3cc(Br)ccc3c2C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000008915748 554809872 /nfs/dbraw/zinc/80/98/72/554809872.db2.gz CTRPXOMWFIKKRH-QGZVFWFLSA-N 0 0 492.391 4.342 50 0 JIAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)c(O)c(OCC)c2)N3)C1 ZINC000008920758 554817415 /nfs/dbraw/zinc/81/74/15/554817415.db2.gz BMCHJEOJMRXKON-KRWDZBQOSA-N 0 0 451.932 4.449 50 0 JIAARN CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(O)cc3s2)cc1Br ZINC000008921254 554818150 /nfs/dbraw/zinc/81/81/50/554818150.db2.gz DMJCQPIOWCQLOM-UHFFFAOYSA-N 0 0 452.355 4.290 50 0 JIAARN Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)NCc3ccc(F)cc3)c(=O)c21 ZINC000008933138 554826818 /nfs/dbraw/zinc/82/68/18/554826818.db2.gz QVZNBDNBOBIATM-UHFFFAOYSA-N 0 0 454.505 4.163 50 0 JIAARN C[C@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008933732 554828119 /nfs/dbraw/zinc/82/81/19/554828119.db2.gz DZLBKCVRIHOOOU-GBXCKJPGSA-N 0 0 459.594 4.210 50 0 JIAARN C[C@@H](CNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1)c1ccccc1 ZINC000008933726 554828152 /nfs/dbraw/zinc/82/81/52/554828152.db2.gz XSGOPYNZWIOMAB-QFIPXVFZSA-N 0 0 481.600 4.435 50 0 JIAARN CCc1nn(CCCC(=O)Nc2ccc(Br)c(C)c2)c(=O)c2cc3occc3n21 ZINC000008965032 554839307 /nfs/dbraw/zinc/83/93/07/554839307.db2.gz QHHJCNAOOTWGAN-UHFFFAOYSA-N 0 0 457.328 4.294 50 0 JIAARN C[C@H](c1nnc(SCC(=O)N[C@H]2CCCc3ccccc32)n1-c1ccc(F)cc1)N(C)C ZINC000008965838 554841053 /nfs/dbraw/zinc/84/10/53/554841053.db2.gz ATBIXGGDLHKVJT-IERDGZPVSA-N 0 0 453.587 4.315 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Br)n1N ZINC000008966386 554842559 /nfs/dbraw/zinc/84/25/59/554842559.db2.gz VHXJFJHEKDJTSX-JTQLQIEISA-N 0 0 482.791 4.203 50 0 JIAARN COC[C@@H](C)n1c(SCc2nc(N)nc(Nc3ccc(Cl)cc3)n2)nc2ccccc2c1=O ZINC000008987730 554850500 /nfs/dbraw/zinc/85/05/00/554850500.db2.gz XGAOFSIWNYPAGJ-CYBMUJFWSA-N 0 0 483.985 4.060 50 0 JIAARN Cc1nc2cc(N[C@H](C)C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)ccc2o1 ZINC000009056175 554874323 /nfs/dbraw/zinc/87/43/23/554874323.db2.gz AWHUPRKVMZLLCS-CQSZACIVSA-N 0 0 476.986 4.403 50 0 JIAARN O=C(CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000009076655 554888174 /nfs/dbraw/zinc/88/81/74/554888174.db2.gz 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AMRQJZQMBQYEGV-UHFFFAOYSA-N 0 0 469.651 4.495 50 0 JIAARN C=C1C(N2CCC(C(=O)Nc3ccccc3CC)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000015733007 555977987 /nfs/dbraw/zinc/97/79/87/555977987.db2.gz LQULRISVEVGQRJ-UHFFFAOYSA-N 0 0 467.591 4.081 50 0 JIAARN COc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000012420959 555978216 /nfs/dbraw/zinc/97/82/16/555978216.db2.gz VZZQGYIEVFTSFW-NKPLSRDGSA-N 0 0 484.593 4.028 50 0 biogenic,in-vitro JIAARN C[C@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000022928483 555979389 /nfs/dbraw/zinc/97/93/89/555979389.db2.gz MMLZOHRQCQHDQG-KNQAVFIVSA-N 0 0 464.635 4.011 50 0 JIAARN O=C(Nc1nccs1)C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000015734930 555980838 /nfs/dbraw/zinc/98/08/38/555980838.db2.gz AAHLGUWGYAMGTA-UHFFFAOYSA-N 0 0 450.387 4.279 50 0 JIAARN O=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N1CCCN(Cc2ccc(F)cc2)C1 ZINC000015734902 555980858 /nfs/dbraw/zinc/98/08/58/555980858.db2.gz SMHBZUSRANWIRI-UHFFFAOYSA-N 0 0 465.598 4.253 50 0 JIAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccc(F)cc1F ZINC000015743014 555983638 /nfs/dbraw/zinc/98/36/38/555983638.db2.gz FRGYSXMEYCQXOR-UHFFFAOYSA-N 0 0 460.458 4.179 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3CC=CCC3)ccc2N2CCCC2)cc1 ZINC000015766032 555985655 /nfs/dbraw/zinc/98/56/55/555985655.db2.gz NTGPDCXGEGDIOW-GOSISDBHSA-N 0 0 455.580 4.391 50 0 JIAARN COc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000015768823 555987428 /nfs/dbraw/zinc/98/74/28/555987428.db2.gz IAYUEXHCQNUMHY-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN Cc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1Cl ZINC000015768875 555987673 /nfs/dbraw/zinc/98/76/73/555987673.db2.gz FSDGRKUBWJDQKP-HNNXBMFYSA-N 0 0 460.983 4.139 50 0 JIAARN CN(C)C(=O)COc1ccccc1C(=O)Nc1ncc(Cc2ccccc2Br)s1 ZINC000022975899 555994743 /nfs/dbraw/zinc/99/47/43/555994743.db2.gz JDNZWYHIGQFVSX-UHFFFAOYSA-N 0 0 474.380 4.216 50 0 JIAARN CC(=O)c1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(cc(F)cc3F)s2)cc1 ZINC000022997761 555997630 /nfs/dbraw/zinc/99/76/30/555997630.db2.gz FJZFWSYJPMLNHU-UHFFFAOYSA-N 0 0 459.518 4.146 50 0 JIAARN CCSc1ccc(C(=O)N(CCN2CCOCC2)c2nc3ccc(OC)cc3s2)cc1 ZINC000022998460 555998557 /nfs/dbraw/zinc/99/85/57/555998557.db2.gz OIGSMWLLVJNJQI-UHFFFAOYSA-N 0 0 457.621 4.396 50 0 JIAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2c(F)cccc2Cl)c2cccs2)cc1 ZINC000015780818 555999522 /nfs/dbraw/zinc/99/95/22/555999522.db2.gz SNMRVDAGFOBACI-GOSISDBHSA-N 0 0 453.944 4.494 50 0 JIAARN O=C(Nc1ccnn1Cc1cc(Br)cs1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000023025071 556000456 /nfs/dbraw/zinc/00/04/56/556000456.db2.gz IUPKIGCBFFDGIB-CYBMUJFWSA-N 0 0 479.425 4.308 50 0 JIAARN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc21 ZINC000015781376 556000490 /nfs/dbraw/zinc/00/04/90/556000490.db2.gz MBSHTVMVTUGYFX-UHFFFAOYSA-N 0 0 450.626 4.213 50 0 JIAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Nc1ccc(Br)cc1 ZINC000015781785 556000828 /nfs/dbraw/zinc/00/08/28/556000828.db2.gz VGIVJWQQXWZBIT-KRWDZBQOSA-N 0 0 463.328 4.161 50 0 JIAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](c3ccccc3)C(=O)N21)NCCc1ccccc1 ZINC000015783467 556001653 /nfs/dbraw/zinc/00/16/53/556001653.db2.gz AYIRGPXIIQKMGO-HSZRJFAPSA-N 0 0 454.555 4.110 50 0 JIAARN S=c1n(CN2CCN(Cc3ccsc3)CC2)nc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000023042809 556001715 /nfs/dbraw/zinc/00/17/15/556001715.db2.gz KEZJLLYQAZWTCL-SFHVURJKSA-N 0 0 461.682 4.158 50 0 JIAARN C[C@@H](SC1=Nc2ccccc2C2=N[C@H](Cc3ccccc3)C(=O)N21)C(=O)NCc1cccs1 ZINC000015783702 556002209 /nfs/dbraw/zinc/00/22/09/556002209.db2.gz NCLBVMDMXYHIBD-IIBYNOLFSA-N 0 0 474.611 4.387 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000023055293 556003625 /nfs/dbraw/zinc/00/36/25/556003625.db2.gz HTXAHRGQPIZQBT-UHFFFAOYSA-N 0 0 464.547 4.014 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1c1cccc(C)c1 ZINC000012532973 556004297 /nfs/dbraw/zinc/00/42/97/556004297.db2.gz FTRSHOMZGGURHG-JTSKRJEESA-N 0 0 470.982 4.284 50 0 JIAARN Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c(C)n1Cc1ccc(F)cc1 ZINC000012533098 556004600 /nfs/dbraw/zinc/00/46/00/556004600.db2.gz TYNOOEWQWSXKAH-UHFFFAOYSA-N 0 0 487.622 4.447 50 0 JIAARN CC(C)N(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000012533726 556005787 /nfs/dbraw/zinc/00/57/87/556005787.db2.gz CJFDARZVQWNYCB-UHFFFAOYSA-N 0 0 480.590 4.018 50 0 JIAARN CCOc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000015821544 556009905 /nfs/dbraw/zinc/00/99/05/556009905.db2.gz SKIUFEOTXGUILQ-UHFFFAOYSA-N 0 0 464.587 4.174 50 0 JIAARN COc1ccc(CCN=C2NN=C(c3cc(C)n(CC(F)(F)F)c3C)CS2)cc1OC ZINC000012537963 556011206 /nfs/dbraw/zinc/01/12/06/556011206.db2.gz SCQRGPWPOVBANG-UHFFFAOYSA-N 0 0 454.518 4.324 50 0 JIAARN Cc1cccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(Br)cc4)no3)c2=O)c1 ZINC000023126311 556015174 /nfs/dbraw/zinc/01/51/74/556015174.db2.gz OJJXBUXBUWTNPV-UHFFFAOYSA-N 0 0 465.307 4.275 50 0 JIAARN O=C(Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000023126771 556016193 /nfs/dbraw/zinc/01/61/93/556016193.db2.gz GCRVJTDTFLYRDW-UHFFFAOYSA-N 0 0 482.968 4.266 50 0 JIAARN CCOc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc4c(c3)OCO4)n2)cc1 ZINC000023126845 556016402 /nfs/dbraw/zinc/01/64/02/556016402.db2.gz MRSOGZULBWENFA-UHFFFAOYSA-N 0 0 485.543 4.418 50 0 JIAARN COc1cc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)cc(OC)c1 ZINC000023127031 556016924 /nfs/dbraw/zinc/01/69/24/556016924.db2.gz YWPDXFANOVOBRL-UHFFFAOYSA-N 0 0 467.572 4.410 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(C)cc3)cc(C(=O)Nc3ccccc3F)c12 ZINC000023128245 556017242 /nfs/dbraw/zinc/01/72/42/556017242.db2.gz MLKXGIBIUKCONN-GOSISDBHSA-N 0 0 478.549 4.466 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)Nc3ccccc3F)c12 ZINC000023128264 556017280 /nfs/dbraw/zinc/01/72/80/556017280.db2.gz GPUZDHUMMUECAQ-AWEZNQCLSA-N 0 0 470.551 4.219 50 0 JIAARN COc1ccc(Cl)cc1-c1nc(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000012542348 556017431 /nfs/dbraw/zinc/01/74/31/556017431.db2.gz USWDHAUFQCVRCY-AWEZNQCLSA-N 0 0 473.986 4.090 50 0 JIAARN Cc1ccc2c(=O)cc(C(=O)N(Cc3ccc(C(C)C)cc3)[C@H]3CCS(=O)(=O)C3)oc2c1C ZINC000015831292 556017609 /nfs/dbraw/zinc/01/76/09/556017609.db2.gz URKDOLOIXVGOHV-NRFANRHFSA-N 0 0 467.587 4.363 50 0 JIAARN CCCOc1ccc(CN(C(=O)c2cc(=O)c3ccc(C)c(C)c3o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000015831314 556017679 /nfs/dbraw/zinc/01/76/79/556017679.db2.gz QKYUIHMWSMZBQA-HXUWFJFHSA-N 0 0 483.586 4.028 50 0 JIAARN COC(C)(C)CNC(=O)COc1ccc(-c2csc3ccccc32)cc1CN1CCOCC1 ZINC000023129767 556018902 /nfs/dbraw/zinc/01/89/02/556018902.db2.gz SKCGYNRXGZSYAB-UHFFFAOYSA-N 0 0 468.619 4.321 50 0 JIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c2c(nn1CC(=O)NCc1ccccc1)CSC2 ZINC000023139442 556021310 /nfs/dbraw/zinc/02/13/10/556021310.db2.gz HRSASSNBDSUMJB-UHFFFAOYSA-N 0 0 485.009 4.396 50 0 JIAARN CC[C@]1(C)Cc2ccccc2-c2nc3n(CC(=O)Nc4cccc(C)c4)nc(SC)n3c(=O)c21 ZINC000015839199 556022548 /nfs/dbraw/zinc/02/25/48/556022548.db2.gz PDZLQVHKUZXFOV-AREMUKBSSA-N 0 0 473.602 4.451 50 0 JIAARN CCn1nc(SCC(=O)Nc2cccc(C)c2)n2c1nc1c(c2=O)C(C)(C)Cc2ccccc2-1 ZINC000015839321 556022772 /nfs/dbraw/zinc/02/27/72/556022772.db2.gz UDDJPBYEVSUMQY-UHFFFAOYSA-N 0 0 473.602 4.451 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)cc1Br ZINC000023155842 556025288 /nfs/dbraw/zinc/02/52/88/556025288.db2.gz VRKVYKOHYKOGQU-LRDDRELGSA-N 0 0 453.358 4.243 50 0 JIAARN O=C(CSc1nccn1-c1cccc(Cl)c1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012547991 556025391 /nfs/dbraw/zinc/02/53/91/556025391.db2.gz PPITZJJYWYMTHZ-UHFFFAOYSA-N 0 0 498.992 4.224 50 0 JIAARN COc1cccc([C@@H]2Oc3ccccc3-n3c(-c4ccccc4C)c4c(c32)n(C)c(=O)n(C)c4=O)c1 ZINC000015858814 556026305 /nfs/dbraw/zinc/02/63/05/556026305.db2.gz NNEMTWJMQBVPSE-MHZLTWQESA-N 0 0 479.536 4.494 50 0 JIAARN COc1ccc([C@@H]2Oc3ccccc3-n3c(-c4ccccc4C)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000015858816 556026307 /nfs/dbraw/zinc/02/63/07/556026307.db2.gz JOXFCZARNFUUSF-MHZLTWQESA-N 0 0 479.536 4.494 50 0 JIAARN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000023174927 556026880 /nfs/dbraw/zinc/02/68/80/556026880.db2.gz LHOJULYSORPUEO-CPJSRVTESA-N 0 0 492.576 4.009 50 0 JIAARN COc1ccc2c(C)cc3nn(CN4CCC[C@H](c5nnc6n5CCCCC6)C4)c(=S)n3c2c1 ZINC000012548997 556027890 /nfs/dbraw/zinc/02/78/90/556027890.db2.gz LMSOWQJGOBVRBV-SFHVURJKSA-N 0 0 477.638 4.491 50 0 JIAARN C[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)c1ccc(-n2ccnc2)cc1 ZINC000012551117 556032707 /nfs/dbraw/zinc/03/27/07/556032707.db2.gz UIYAVHVBOVDQSW-LBPRGKRZSA-N 0 0 485.201 4.437 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000012552148 556034654 /nfs/dbraw/zinc/03/46/54/556034654.db2.gz NVZYJMKVTPTICG-QGZVFWFLSA-N 0 0 452.532 4.058 50 0 JIAARN O=c1oc2ccc(Br)cc2cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 ZINC000015862247 556035170 /nfs/dbraw/zinc/03/51/70/556035170.db2.gz KIOSGLYSHLJCGF-UHFFFAOYSA-N 0 0 462.365 4.199 50 0 JIAARN COc1ccccc1-c1nn(CN2CCN(CCOc3ccccc3Cl)CC2)c(=S)o1 ZINC000023256921 556035652 /nfs/dbraw/zinc/03/56/52/556035652.db2.gz OAVVJUOOKMNWPI-UHFFFAOYSA-N 0 0 460.987 4.189 50 0 JIAARN O=C([C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1)N1CCOCC1 ZINC000012553485 556037214 /nfs/dbraw/zinc/03/72/14/556037214.db2.gz SOZZEXUIRNLZTI-DEOSSOPVSA-N 0 0 495.624 4.085 50 0 JIAARN O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1)[C@@H]1COc2ccccc2C1 ZINC000012554481 556038851 /nfs/dbraw/zinc/03/88/51/556038851.db2.gz DCWOYBBLLZUFLW-NRFANRHFSA-N 0 0 483.634 4.041 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)S(=O)(=O)c2ccc(C)c3nsnc32)c1C ZINC000015865681 556042195 /nfs/dbraw/zinc/04/21/95/556042195.db2.gz LKIMILNFJJXMRE-UHFFFAOYSA-N 0 0 488.591 4.105 50 0 JIAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCOCC1)c2NC(=O)c1ccccc1OC(F)F ZINC000012556428 556042570 /nfs/dbraw/zinc/04/25/70/556042570.db2.gz CMFIXILTOLWRRT-UHFFFAOYSA-N 0 0 461.490 4.239 50 0 JIAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc(-n2ccnc2)cc1 ZINC000012556818 556043530 /nfs/dbraw/zinc/04/35/30/556043530.db2.gz 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Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000024611374 556141251 /nfs/dbraw/zinc/14/12/51/556141251.db2.gz NVGWTKOZFXCISP-UHFFFAOYSA-N 0 0 469.376 4.077 50 0 JIAARN COc1ccccc1OCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000012923532 556141906 /nfs/dbraw/zinc/14/19/06/556141906.db2.gz HXZRWNDYGRCLOM-UHFFFAOYSA-N 0 0 495.988 4.335 50 0 JIAARN COc1cccc(CN(C(=O)CSc2nnnn2C2CC2)C23CC4CC(CC(C4)C2)C3)c1 ZINC000012923814 556142137 /nfs/dbraw/zinc/14/21/37/556142137.db2.gz DQBXOESZPMFKPZ-UHFFFAOYSA-N 0 0 453.612 4.106 50 0 JIAARN CCc1c(C)sc2nc(SCC(=O)NC[C@@H]3CCCO3)n(-c3cccc(C)c3)c(=O)c12 ZINC000012923757 556142166 /nfs/dbraw/zinc/14/21/66/556142166.db2.gz NCIQQVFTZXAWAD-KRWDZBQOSA-N 0 0 457.621 4.014 50 0 JIAARN C[C@@H](Oc1ccccc1F)c1nn(CN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(=S)o1 ZINC000012924002 556142494 /nfs/dbraw/zinc/14/24/94/556142494.db2.gz YNTLNWJWGCPENS-SJLPKXTDSA-N 0 0 477.583 4.131 50 0 JIAARN CCCc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(CC(C)C)C1=O 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/nfs/dbraw/zinc/14/66/79/556146679.db2.gz ODGZSJZZCSDNRO-GFCCVEGCSA-N 0 0 461.893 4.277 50 0 JIAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(-n4ccnc4)nc3)[C@@H]2c2ccccc2OC)cc1 ZINC000024749869 556148777 /nfs/dbraw/zinc/14/87/77/556148777.db2.gz LGXXHVAHQPYIKO-HOFKKMOUSA-N 0 0 497.555 4.408 50 0 JIAARN CCN(CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1)CC(=O)Nc1ccccc1OC ZINC000012932990 556149086 /nfs/dbraw/zinc/14/90/86/556149086.db2.gz SFQTUVTZUMXLAY-UHFFFAOYSA-N 0 0 463.563 4.199 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)Cc1csc(Nc2ccc(C)cc2)n1 ZINC000024757361 556150655 /nfs/dbraw/zinc/15/06/55/556150655.db2.gz JPRUGWAQJAPYDX-FQEVSTJZSA-N 0 0 459.641 4.000 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C)cc3Cl)c12 ZINC000012940437 556154302 /nfs/dbraw/zinc/15/43/02/556154302.db2.gz IJRLMCINQCQHTP-OAHLLOKOSA-N 0 0 458.971 4.191 50 0 JIAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000024809879 556156248 /nfs/dbraw/zinc/15/62/48/556156248.db2.gz 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CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc(-c3cc[nH]n3)c1)n2CC ZINC000024888605 556162511 /nfs/dbraw/zinc/16/25/11/556162511.db2.gz QTXKZRUFPKNQCV-UHFFFAOYSA-N 0 0 494.621 4.048 50 0 JIAARN CC(C)c1nnc(SCC(=O)Nc2cc3c(cc2Br)OCCO3)n1C1CC1 ZINC000012971479 556163099 /nfs/dbraw/zinc/16/30/99/556163099.db2.gz MGVQANODGQZFQU-UHFFFAOYSA-N 0 0 453.362 4.001 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nnc(SCc3ccccc3)s2)c1 ZINC000012973150 556164915 /nfs/dbraw/zinc/16/49/15/556164915.db2.gz AHQNLMYWGAPAQL-UHFFFAOYSA-N 0 0 462.622 4.113 50 0 JIAARN COc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3CC(C)C)n2)cc1OC ZINC000016843542 556165656 /nfs/dbraw/zinc/16/56/56/556165656.db2.gz SCTBPPRXXWRXGH-UHFFFAOYSA-N 0 0 458.565 4.474 50 0 JIAARN COC[C@H](C)n1c(=O)c2ccccc2nc1SCC(=O)Nc1nc2ccc(F)cc2s1 ZINC000012973932 556165723 /nfs/dbraw/zinc/16/57/23/556165723.db2.gz NNPZHFMWIFFYRG-LBPRGKRZSA-N 0 0 458.540 4.084 50 0 JIAARN Cc1ncc2c(n1)CC[C@H](NC(=O)c1nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n1)C2 ZINC000024976898 556166739 /nfs/dbraw/zinc/16/67/39/556166739.db2.gz QOXMBZCMTAGJEO-INIZCTEOSA-N 0 0 484.507 4.400 50 0 JIAARN CC(C)(C)NC(=O)CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000024977893 556167108 /nfs/dbraw/zinc/16/71/08/556167108.db2.gz HEGYNDUVAUYULT-UHFFFAOYSA-N 0 0 464.997 4.228 50 0 JIAARN CC(C)CC(=O)Nc1ccccc1C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000024978915 556167358 /nfs/dbraw/zinc/16/73/58/556167358.db2.gz WXWBKZOSZKMKDP-UHFFFAOYSA-N 0 0 498.432 4.125 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)s1 ZINC000024986546 556170064 /nfs/dbraw/zinc/17/00/64/556170064.db2.gz DJVZSZDNNYXYFT-INIZCTEOSA-N 0 0 460.621 4.360 50 0 JIAARN CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012977824 556170572 /nfs/dbraw/zinc/17/05/72/556170572.db2.gz APELFCOYTVVHAV-ZCUVORPTSA-N 0 0 451.611 4.315 50 0 JIAARN CCn1c(C)cc(C(=O)Cn2c(CN3CCOCC3)nc3scc(-c4cccs4)c3c2=O)c1C ZINC000012978124 556170880 /nfs/dbraw/zinc/17/08/80/556170880.db2.gz YHGSYHNJSOUJNS-UHFFFAOYSA-N 0 0 496.658 4.340 50 0 JIAARN COC(=O)[C@H](C)Sc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(OC(F)(F)F)cc1 ZINC000016890885 556171856 /nfs/dbraw/zinc/17/18/56/556171856.db2.gz CWQDBSGSXHJKBD-NSHDSACASA-N 0 0 463.437 4.419 50 0 JIAARN COc1cc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000016891223 556172482 /nfs/dbraw/zinc/17/24/82/556172482.db2.gz YFNWSCBRLHJMDS-KBMIEXCESA-N 0 0 495.645 4.456 50 0 JIAARN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025036541 556172921 /nfs/dbraw/zinc/17/29/21/556172921.db2.gz KHDURPIDZNJOFO-LBPRGKRZSA-N 0 0 455.971 4.326 50 0 JIAARN C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012980822 556173892 /nfs/dbraw/zinc/17/38/92/556173892.db2.gz VZVQLDIVEYCWBP-GJZGRUSLSA-N 0 0 466.607 4.227 50 0 JIAARN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N(C)Cc2cnn(C)c2)cc1 ZINC000025049017 556174299 /nfs/dbraw/zinc/17/42/99/556174299.db2.gz ZWAFLYPYKPBZSA-UHFFFAOYSA-N 0 0 454.596 4.099 50 0 JIAARN Cc1sc2nc(-c3ccc(C(=O)N[C@@H](CN4CCOCC4)c4ccccc4)cc3)nc(N)c2c1C ZINC000025050116 556174513 /nfs/dbraw/zinc/17/45/13/556174513.db2.gz NAAAUMOLUIXWNH-QFIPXVFZSA-N 0 0 487.629 4.361 50 0 JIAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000025050583 556174608 /nfs/dbraw/zinc/17/46/08/556174608.db2.gz PCWNUGBXYGKAOQ-HNNXBMFYSA-N 0 0 455.561 4.201 50 0 JIAARN COc1ccccc1OC[C@@H](O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000016902936 556174729 /nfs/dbraw/zinc/17/47/29/556174729.db2.gz WHQDIJZHVJHDHK-FPOVZHCZSA-N 0 0 457.530 4.005 50 0 JIAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3C[C@H](O)COc3ccccc3C)CC2=O)cc1 ZINC000016902915 556174748 /nfs/dbraw/zinc/17/47/48/556174748.db2.gz JDMOMCPIFIUWIK-IRLDBZIGSA-N 0 0 471.557 4.314 50 0 JIAARN COc1cc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)N2CC(=O)Nc3ccccc32)cc(OC)c1 ZINC000025107688 556179701 /nfs/dbraw/zinc/17/97/01/556179701.db2.gz ZDCICGDWMMRLNV-JOCHJYFZSA-N 0 0 474.517 4.071 50 0 JIAARN Cc1ccc(NC(=O)CSc2nc3ccc(Br)cc3c(=O)n2C[C@@H](C)O)cc1Cl ZINC000012987086 556181217 /nfs/dbraw/zinc/18/12/17/556181217.db2.gz MARPIVMHVNJEDW-GFCCVEGCSA-N 0 0 496.814 4.232 50 0 JIAARN COCCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2nc1SCC(=O)c1ccc(F)cc1 ZINC000016942921 556181358 /nfs/dbraw/zinc/18/13/58/556181358.db2.gz IINAJBNZRZMVPM-UHFFFAOYSA-N 0 0 497.592 4.220 50 0 JIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CN(C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000012993662 556185966 /nfs/dbraw/zinc/18/59/66/556185966.db2.gz NGFGTCSHKWAKEO-UHFFFAOYSA-N 0 0 469.545 4.204 50 0 JIAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c1C ZINC000012993887 556186399 /nfs/dbraw/zinc/18/63/99/556186399.db2.gz XBQVSLONXXHKOL-HSZRJFAPSA-N 0 0 489.688 4.263 50 0 JIAARN COc1c(Cl)cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl ZINC000012995210 556187403 /nfs/dbraw/zinc/18/74/03/556187403.db2.gz JCPDLFHEJRZMNI-UHFFFAOYSA-N 0 0 457.379 4.107 50 0 JIAARN COc1ccc(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)cc1OC ZINC000016960013 556190154 /nfs/dbraw/zinc/19/01/54/556190154.db2.gz SZTBAGLCJHLDRG-UHFFFAOYSA-N 0 0 480.524 4.457 50 0 JIAARN COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)nc21 ZINC000016960784 556191606 /nfs/dbraw/zinc/19/16/06/556191606.db2.gz FWIHSPJJQNCYDS-UHFFFAOYSA-N 0 0 465.556 4.309 50 0 JIAARN COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1cccc(C(F)(F)F)c1)[nH]c2=O ZINC000016974295 556193285 /nfs/dbraw/zinc/19/32/85/556193285.db2.gz CXRACLANVCDLPY-UHFFFAOYSA-N 0 0 475.452 4.279 50 0 JIAARN COc1cc(-c2nc(CSc3nc4ccccc4c(=O)n3C)c(C)o2)cc(OC)c1OC ZINC000016991548 556195502 /nfs/dbraw/zinc/19/55/02/556195502.db2.gz OJXPEXDNEZGLAQ-UHFFFAOYSA-N 0 0 453.520 4.215 50 0 JIAARN COc1ccc(Cn2c(C)cc(O)c([C@@H](c3ccccn3)N3CCN(c4ccccc4)CC3)c2=O)cc1 ZINC000016993474 556197525 /nfs/dbraw/zinc/19/75/25/556197525.db2.gz YPUNOZRBYFKHQM-GDLZYMKVSA-N 0 0 496.611 4.226 50 0 JIAARN CCOC(=O)c1sc2nc(C)n(C[C@H](O)COc3ccc(-c4ccccc4)cc3)c(=O)c2c1C ZINC000013006014 556197793 /nfs/dbraw/zinc/19/77/93/556197793.db2.gz 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SRSPFZYWVFPJMH-OQLLNIDSSA-N 0 0 493.297 4.125 50 0 JIAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000064835800 569636627 /nfs/dbraw/zinc/63/66/27/569636627.db2.gz XBJSQMOLNABAEU-UHFFFAOYSA-N 0 0 459.999 4.427 50 0 JIAARN Cc1cc(C)cc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)s3)c2=O)c1 ZINC000064838765 569637344 /nfs/dbraw/zinc/63/73/44/569637344.db2.gz ZQEADVBLJXKADM-UHFFFAOYSA-N 0 0 464.996 4.268 50 0 JIAARN COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)c1 ZINC000064848162 569638959 /nfs/dbraw/zinc/63/89/59/569638959.db2.gz CUABICLSPWMQGH-UHFFFAOYSA-N 0 0 467.591 4.217 50 0 biogenic JIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1cccc(Br)c1 ZINC000064866690 569639736 /nfs/dbraw/zinc/63/97/36/569639736.db2.gz NQGZSGDDXTVPJR-UHFFFAOYSA-N 0 0 479.352 4.224 50 0 JIAARN COc1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc1Cl ZINC000064866959 569639804 /nfs/dbraw/zinc/63/98/04/569639804.db2.gz ALXFVVIGULSSBX-UHFFFAOYSA-N 0 0 478.954 4.432 50 0 JIAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cc(Cl)ccc2OC)CC3)cc1 ZINC000064868182 569639953 /nfs/dbraw/zinc/63/99/53/569639953.db2.gz BHJAUKYGPQWLOJ-UHFFFAOYSA-N 0 0 450.969 4.228 50 0 JIAARN CCOC(=O)CC1=CC(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2cc(C)c(C)cc2N1 ZINC000064869375 569640143 /nfs/dbraw/zinc/64/01/43/569640143.db2.gz QOPRIXRFBGLTOM-FQEVSTJZSA-N 0 0 463.578 4.037 50 0 JIAARN O=C(Cc1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000034667706 569640451 /nfs/dbraw/zinc/64/04/51/569640451.db2.gz ZWNQSLZMBZXKBJ-UHFFFAOYSA-N 0 0 468.479 4.244 50 0 JIAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)nc1)c1ccccc1C(F)(F)F ZINC000034667562 569640458 /nfs/dbraw/zinc/64/04/58/569640458.db2.gz MEFWTSCXZFNSTG-UHFFFAOYSA-N 0 0 472.442 4.454 50 0 JIAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccsc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000064872092 569640481 /nfs/dbraw/zinc/64/04/81/569640481.db2.gz CCMGGHYZZCLRAN-UHFFFAOYSA-N 0 0 450.925 4.208 50 0 JIAARN COC(=O)c1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1 ZINC000064872097 569640640 /nfs/dbraw/zinc/64/06/40/569640640.db2.gz YWZPWIUJGLBQFK-UHFFFAOYSA-N 0 0 464.952 4.266 50 0 JIAARN COc1ccc(COc2ccc(=O)n(-c3ccc(C(=O)NCc4ccccc4C)cc3)n2)cc1 ZINC000064873346 569641025 /nfs/dbraw/zinc/64/10/25/569641025.db2.gz OPCAHPIUPSDOKW-UHFFFAOYSA-N 0 0 455.514 4.059 50 0 JIAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC(C(=O)N[C@H](C)Cc4ccco4)CC3)c2=O)cc1 ZINC000064873918 569641254 /nfs/dbraw/zinc/64/12/54/569641254.db2.gz QCUDRSOKCKISQI-OAQYLSRUSA-N 0 0 484.600 4.310 50 0 JIAARN CCN(C)c1nc(N2CCN(c3ccccc3)CC2)nc2c1CN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000034676778 569641534 /nfs/dbraw/zinc/64/15/34/569641534.db2.gz RGSGVJJIJYKICR-UHFFFAOYSA-N 0 0 491.039 4.111 50 0 JIAARN O=C(c1cccc(C(F)(F)F)c1)N1CCc2nc(N3CCCC3)nc(N3CCCCC3)c2C1 ZINC000034679168 569642712 /nfs/dbraw/zinc/64/27/12/569642712.db2.gz HJAMSNNNPYOFDR-UHFFFAOYSA-N 0 0 459.516 4.284 50 0 JIAARN CC[C@H](C(=O)Nc1ccc(N2CCCN(C(=O)Cc3ccccc3)CC2)nc1)c1ccccc1 ZINC000034681034 569643105 /nfs/dbraw/zinc/64/31/05/569643105.db2.gz GNHYLXSRQHRJPX-VWLOTQADSA-N 0 0 456.590 4.495 50 0 JIAARN COc1ccc(NC(=O)Nc2ccc(N3CCCN(C(=O)c4cccc(F)c4)CC3)nc2)cc1 ZINC000034681371 569643365 /nfs/dbraw/zinc/64/33/65/569643365.db2.gz MNCZMECEFXNGKF-UHFFFAOYSA-N 0 0 463.513 4.226 50 0 JIAARN Cc1ccc2nc(NC(=O)CCn3nc(C(=O)Nc4ccc(C)c(C)c4)ccc3=O)sc2c1 ZINC000064891970 569644050 /nfs/dbraw/zinc/64/40/50/569644050.db2.gz NBGZPCZKODFNHS-UHFFFAOYSA-N 0 0 461.547 4.059 50 0 JIAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1OC ZINC000064892604 569644234 /nfs/dbraw/zinc/64/42/34/569644234.db2.gz QLJYKEJPRDSBHD-MHZLTWQESA-N 0 0 489.597 4.451 50 0 JIAARN O=S(=O)(c1ccc(F)cc1)N(c1ccc2c(c1)OCO2)C1CCN(Cc2ccoc2)CC1 ZINC000034683984 569644818 /nfs/dbraw/zinc/64/48/18/569644818.db2.gz VZEGTTACDZEIHD-UHFFFAOYSA-N 0 0 458.511 4.007 50 0 JIAARN COc1ccc(N(C2CCN(Cc3ccoc3)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000034683940 569644842 /nfs/dbraw/zinc/64/48/42/569644842.db2.gz KPVYCOMBYXJYHQ-UHFFFAOYSA-N 0 0 456.564 4.157 50 0 JIAARN CN1CCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)/C=C/c3ccccc3)c2)CC1 ZINC000034685504 569644920 /nfs/dbraw/zinc/64/49/20/569644920.db2.gz CLTJNEKVBOQGFU-FOCLMDBBSA-N 0 0 453.586 4.250 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CCc1c(C)nn(-c2cc(N3CCCC3)ncn2)c1C ZINC000064924557 569646229 /nfs/dbraw/zinc/64/62/29/569646229.db2.gz UUDGJOIVBLEIKL-UHFFFAOYSA-N 0 0 454.962 4.113 50 0 JIAARN Cc1ccc(Cn2c3ccccc3nc(N3CCN(C(=O)Nc4ccc(F)cc4)CC3)c2=O)cc1 ZINC000064926331 569646761 /nfs/dbraw/zinc/64/67/61/569646761.db2.gz YYQFHTJQKWVVJG-UHFFFAOYSA-N 0 0 471.536 4.246 50 0 JIAARN O=c1c2c(ncn2Cc2ccc(Cl)c(Cl)c2)n(-c2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000034694919 569647433 /nfs/dbraw/zinc/64/74/33/569647433.db2.gz ZZTOIEVHXTWYCI-KRWDZBQOSA-N 0 0 489.334 4.022 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000064928465 569647472 /nfs/dbraw/zinc/64/74/72/569647472.db2.gz WUXQJAREKGPYRZ-MRXNPFEDSA-N 0 0 470.932 4.197 50 0 JIAARN CCc1ccc(-n2nc(N3CCC[C@@H](C(=O)N[C@@H](C)CCc4ccccc4)C3)ccc2=O)cc1 ZINC000064928342 569647528 /nfs/dbraw/zinc/64/75/28/569647528.db2.gz DCNDTXKWJNUHNI-XUZZJYLKSA-N 0 0 458.606 4.149 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4ccc(C)c(Cl)c4)n3)C2)c1 ZINC000064928663 569647617 /nfs/dbraw/zinc/64/76/17/569647617.db2.gz SZUWJAQBKCYAJT-LJQANCHMSA-N 0 0 494.979 4.226 50 0 JIAARN CCCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)Nc3cccc(F)c3)c1)NC(=O)CCC2=O ZINC000065011097 569648085 /nfs/dbraw/zinc/64/80/85/569648085.db2.gz IRAQIIZQSKPOOU-UHFFFAOYSA-N 0 0 470.526 4.123 50 0 JIAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)CN4C(=O)C(C)C)CC2)c1C ZINC000065021020 569648463 /nfs/dbraw/zinc/64/84/63/569648463.db2.gz RHTBVQNIRHJFIS-UHFFFAOYSA-N 0 0 469.651 4.095 50 0 JIAARN C[C@@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CCN1C(=O)C1CC1 ZINC000034700211 569648829 /nfs/dbraw/zinc/64/88/29/569648829.db2.gz FATSXHONQHTBTO-CYBMUJFWSA-N 0 0 452.971 4.107 50 0 JIAARN C[C@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CCN1C(=O)C1CCC1 ZINC000034700208 569648851 /nfs/dbraw/zinc/64/88/51/569648851.db2.gz RLCYXORXIHISKK-AWEZNQCLSA-N 0 0 466.998 4.497 50 0 JIAARN C[C@@H]1CN(c2nc3ccccc3c3nnc(-c4ccco4)n32)CCN1C(=O)OCc1ccccc1 ZINC000034706526 569649600 /nfs/dbraw/zinc/64/96/00/569649600.db2.gz PRWVTBJRHMQHPU-GOSISDBHSA-N 0 0 468.517 4.385 50 0 JIAARN C[C@@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CCN1C(=O)NCc1ccccc1 ZINC000034707704 569649962 /nfs/dbraw/zinc/64/99/62/569649962.db2.gz KUYGYTQQNRGDES-GOSISDBHSA-N 0 0 483.601 4.426 50 0 JIAARN Cc1cc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)ccc1Br ZINC000065077649 569658561 /nfs/dbraw/zinc/65/85/61/569658561.db2.gz FPELWBDWEURPOG-CYBMUJFWSA-N 0 0 497.436 4.240 50 0 JIAARN COCCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)c1ccccc1)CC2 ZINC000034708201 569650266 /nfs/dbraw/zinc/65/02/66/569650266.db2.gz KUWIHCRRFNGOBB-ZBLYBZFDSA-N 0 0 472.585 4.313 50 0 JIAARN CCCCNC(=O)N1C[C@H](C(=O)NCc2cccc(F)c2)C[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC000034711066 569650767 /nfs/dbraw/zinc/65/07/67/569650767.db2.gz DMVBUJJGHVJWPA-NHCUHLMSSA-N 0 0 471.573 4.075 50 0 JIAARN Cc1cccc(NC(=O)CSc2ccc(N3CCN(c4cccc(Cl)c4)CC3)nn2)c1 ZINC000065025995 569651078 /nfs/dbraw/zinc/65/10/78/569651078.db2.gz XGFMPCZWTTWTRT-UHFFFAOYSA-N 0 0 453.999 4.496 50 0 JIAARN Cc1ccc(C)c(N2CCN(c3ccc(SCC(=O)NCc4ccccc4Cl)nn3)CC2)c1 ZINC000065026039 569651120 /nfs/dbraw/zinc/65/11/20/569651120.db2.gz WUAODTZPFQWJFQ-UHFFFAOYSA-N 0 0 482.053 4.482 50 0 JIAARN CCOc1ccc(-c2ccnc3c(C(=O)NCc4ccc(Br)cc4)cnn32)cc1 ZINC000065026714 569651640 /nfs/dbraw/zinc/65/16/40/569651640.db2.gz DSGARENPDIIZLM-UHFFFAOYSA-N 0 0 451.324 4.488 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCc4ccccc43)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065035933 569652864 /nfs/dbraw/zinc/65/28/64/569652864.db2.gz OCNCJQIGDBWZNT-UHFFFAOYSA-N 0 0 484.647 4.143 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccccc3)c(C)n2C)sc1C(=O)N1CCC(C)CC1 ZINC000065036248 569653160 /nfs/dbraw/zinc/65/31/60/569653160.db2.gz YISISZFCHKUBPB-UHFFFAOYSA-N 0 0 472.636 4.438 50 0 JIAARN COc1ccccc1CCNC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1 ZINC000034731691 569653382 /nfs/dbraw/zinc/65/33/82/569653382.db2.gz YJBIVGHQYALRLZ-XZOQPEGZSA-N 0 0 460.549 4.439 50 0 JIAARN CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)Nc3ccc(F)cc3C)c(C)n2C)nc1C ZINC000065036575 569653646 /nfs/dbraw/zinc/65/36/46/569653646.db2.gz ZJSWFAJNXCTGPA-UHFFFAOYSA-N 0 0 478.615 4.496 50 0 JIAARN CCNC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000065059803 569654928 /nfs/dbraw/zinc/65/49/28/569654928.db2.gz XPUJCBGDMYXLLU-UHFFFAOYSA-N 0 0 476.352 4.187 50 0 JIAARN CCOc1ccc(NC(=O)[C@@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000065062133 569655769 /nfs/dbraw/zinc/65/57/69/569655769.db2.gz QXBLPBABOPXJER-AWEZNQCLSA-N 0 0 457.017 4.476 50 0 JIAARN C[C@H](NC(=O)CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)c1ccccc1 ZINC000065062368 569655937 /nfs/dbraw/zinc/65/59/37/569655937.db2.gz MUOHPQINEGGYMQ-AWEZNQCLSA-N 0 0 471.442 4.179 50 0 JIAARN COc1ccc(-c2nc(-c3ccc(C(=O)N4CCN(c5cccc(OC)c5)CC4)s3)no2)cc1 ZINC000065062865 569656229 /nfs/dbraw/zinc/65/62/29/569656229.db2.gz GEHWUAIGZIMTNU-UHFFFAOYSA-N 0 0 476.558 4.445 50 0 JIAARN CC[C@H](C)NC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2)nc1 ZINC000065063457 569656569 /nfs/dbraw/zinc/65/65/69/569656569.db2.gz POXXDIJKCIJAIA-INIZCTEOSA-N 0 0 485.562 4.220 50 0 JIAARN CC[C@H](C)NC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000065063625 569657026 /nfs/dbraw/zinc/65/70/26/569657026.db2.gz AQQHAVGYRXYAPJ-INIZCTEOSA-N 0 0 455.536 4.212 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Oc3ncccc3C(=O)NC[C@@H]3CCCO3)cc2)c1 ZINC000065074548 569657180 /nfs/dbraw/zinc/65/71/80/569657180.db2.gz ACBBPZRDVBAIDI-NRFANRHFSA-N 0 0 481.574 4.200 50 0 JIAARN COc1ccc(CC(=O)N2CCc3nc(N4CCCC4)nc(Oc4ccc(C)cc4)c3C2)cc1 ZINC000034759245 569657511 /nfs/dbraw/zinc/65/75/11/569657511.db2.gz CHVAVPNDQJUIAP-UHFFFAOYSA-N 0 0 458.562 4.314 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)N1CCN(Cc2nc3cccnc3n2-c2cccc(C)c2)CC1 ZINC000065075414 569657761 /nfs/dbraw/zinc/65/77/61/569657761.db2.gz CJUYTFDCMDYLFJ-UHFFFAOYSA-N 0 0 498.587 4.255 50 0 JIAARN Cc1cc(Cl)ccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)S2 ZINC000065077769 569658505 /nfs/dbraw/zinc/65/85/05/569658505.db2.gz ZTCQITHTBVLFMV-CYBMUJFWSA-N 0 0 452.985 4.274 50 0 JIAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)c(Cl)c1 ZINC000065078272 569658826 /nfs/dbraw/zinc/65/88/26/569658826.db2.gz SCCYBYDCUXIDHF-CYBMUJFWSA-N 0 0 452.985 4.131 50 0 JIAARN O=C(NCc1ccccc1)c1ncoc1-c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000065080470 569659407 /nfs/dbraw/zinc/65/94/07/569659407.db2.gz NCPUSHVPBLPXQP-UHFFFAOYSA-N 0 0 484.531 4.373 50 0 JIAARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034787211 569659496 /nfs/dbraw/zinc/65/94/96/569659496.db2.gz ZVTAQSQUYSHWSG-SANMLTNESA-N 0 0 465.663 4.337 50 0 JIAARN O=C(CN1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCN(C(=O)c2cccs2)CC1 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/nfs/dbraw/zinc/73/31/23/569733123.db2.gz GUWDSXWCQTUUBL-SQJMNOBHSA-N 0 0 487.464 4.071 50 0 biogenic JIAARN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@H](c1cccc3nccnc31)CC(=O)O2 ZINC000096114566 569733672 /nfs/dbraw/zinc/73/36/72/569733672.db2.gz UEQNLYGITNTIGI-INIZCTEOSA-N 0 0 452.422 4.255 50 0 biogenic JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000035946681 569733942 /nfs/dbraw/zinc/73/39/42/569733942.db2.gz DVLNPPLAFWYSFW-JOCHJYFZSA-N 0 0 463.559 4.215 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccco1)C(=O)Nc1ccccc1OC ZINC000035947272 569734372 /nfs/dbraw/zinc/73/43/72/569734372.db2.gz HQRYPOHUSZJPOK-QFIPXVFZSA-N 0 0 494.523 4.286 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1OC)C(=O)C(C)C ZINC000035947515 569734476 /nfs/dbraw/zinc/73/44/76/569734476.db2.gz WJBYXYRVZKOGFB-JOCHJYFZSA-N 0 0 471.985 4.157 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000035947672 569734613 /nfs/dbraw/zinc/73/46/13/569734613.db2.gz IMLDDIFTRJSLTM-JOCHJYFZSA-N 0 0 481.593 4.285 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1OC)C(=O)CC(C)(C)C ZINC000035947698 569734678 /nfs/dbraw/zinc/73/46/78/569734678.db2.gz XEABGPPJWNUUHV-XMMPIXPASA-N 0 0 495.620 4.293 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1OC)C(=O)C1CCCC1 ZINC000035947703 569734809 /nfs/dbraw/zinc/73/48/09/569734809.db2.gz BMYXQYLDKPPHBJ-VWLOTQADSA-N 0 0 493.604 4.047 50 0 JIAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc(F)cc1 ZINC000035949489 569736197 /nfs/dbraw/zinc/73/61/97/569736197.db2.gz SBYFERSEOCPWSN-XMMPIXPASA-N 0 0 468.573 4.188 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@H](c3ccccc3F)C2)c(OC)c1 ZINC000035961010 569736734 /nfs/dbraw/zinc/73/67/34/569736734.db2.gz IMSKDFVOIKBLKJ-QFIPXVFZSA-N 0 0 469.557 4.415 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccco1)C(=O)c1ccc(OC)cc1 ZINC000035961249 569736945 /nfs/dbraw/zinc/73/69/45/569736945.db2.gz IQRAIDZCQASOCI-RUZDIDTESA-N 0 0 489.572 4.372 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1)C(=O)CC(C)(C)C ZINC000035961578 569737090 /nfs/dbraw/zinc/73/70/90/569737090.db2.gz FZGHJTLFZYLTQC-FQEVSTJZSA-N 0 0 459.587 4.476 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)NC(C)(C)C)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000035963269 569737971 /nfs/dbraw/zinc/73/79/71/569737971.db2.gz YAOQEXPFKKDXNY-NRFANRHFSA-N 0 0 456.974 4.466 50 0 JIAARN COc1cccc(CS(=O)(=O)c2ncc(CN(CC3CC3)C(=O)C3CCCC3)n2CC(C)C)c1 ZINC000096211091 569738201 /nfs/dbraw/zinc/73/82/01/569738201.db2.gz IHMMVFHVFFIPQL-UHFFFAOYSA-N 0 0 487.666 4.450 50 0 JIAARN COc1cc2c(cc1OC)[C@@H]([C@H](C)NS(=O)(=O)c1ccccc1)N(Cc1ccccc1)CC2 ZINC000096211363 569738402 /nfs/dbraw/zinc/73/84/02/569738402.db2.gz HBVYBPRSYCHQRJ-AFMDSPMNSA-N 0 0 466.603 4.170 50 0 JIAARN O=C(Cc1ccc2c(c1)OCCO2)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O ZINC000096600579 569742348 /nfs/dbraw/zinc/74/23/48/569742348.db2.gz NDFGINSNYAJUKR-LDADJPATSA-N 0 0 493.368 4.160 50 0 JIAARN O=C(NNc1nc2c3c(sc2c(=O)n1Cc1ccccc1)CCC3)c1cc2ccccc2o1 ZINC000096602048 569742468 /nfs/dbraw/zinc/74/24/68/569742468.db2.gz TYWCHRTXKUVPGP-UHFFFAOYSA-N 0 0 456.527 4.498 50 0 JIAARN CC1CCC2(CC1)OC[C@H](C(=O)NC[C@@H]1CCCO1)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000035981569 569742780 /nfs/dbraw/zinc/74/27/80/569742780.db2.gz GKNWEBBQIVPVCG-BGYAFSEPSA-N 0 0 455.382 4.036 50 0 JIAARN CCc1nn(-c2ccc(OC)cc2)c2sc(C(=O)NCCNC(=O)c3ccc(Cl)cc3)cc12 ZINC000035989100 569743804 /nfs/dbraw/zinc/74/38/04/569743804.db2.gz NZHVOAQNJGJDQJ-UHFFFAOYSA-N 0 0 482.993 4.471 50 0 JIAARN COc1cc(-c2noc(-c3ncn4c3CO[C@@H](c3ccc(F)cc3)C4)n2)cc(OC)c1OC ZINC000097077350 569744167 /nfs/dbraw/zinc/74/41/67/569744167.db2.gz SSFPLISZEHMIMD-LJQANCHMSA-N 0 0 452.442 4.037 50 0 JIAARN CCc1nc2c(cnn2-c2ccccc2Cl)c(N2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000035990666 569744181 /nfs/dbraw/zinc/74/41/81/569744181.db2.gz CTRRRMPDUAZSCE-UHFFFAOYSA-N 0 0 464.932 4.133 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccncc2)C(=O)c2ccccc2Cl)c1C ZINC000035992678 569745019 /nfs/dbraw/zinc/74/50/19/569745019.db2.gz GOQPLKBOWVBKIM-UHFFFAOYSA-N 0 0 453.926 4.382 50 0 JIAARN COc1ccc(-c2cc(C(=O)N(CCC(=O)NCc3ccc(F)cc3)CC(C)C)no2)cc1 ZINC000035992966 569745145 /nfs/dbraw/zinc/74/51/45/569745145.db2.gz RXHKPERRUVJPSN-UHFFFAOYSA-N 0 0 453.514 4.294 50 0 JIAARN Cc1cc(C)cc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(C/C=C\c2ccccc2)c4=O)c1 ZINC000097568054 569745501 /nfs/dbraw/zinc/74/55/01/569745501.db2.gz ARLXGZLQWSHXOQ-WUQYLLKWSA-N 0 0 455.562 4.015 50 0 JIAARN CCNC(=O)N1CCN(c2nc(C3CCCCC3)nc3c2cnn3-c2ccccc2Cl)CC1 ZINC000036000485 569745684 /nfs/dbraw/zinc/74/56/84/569745684.db2.gz RDAUTKKQWDRXKH-UHFFFAOYSA-N 0 0 468.005 4.368 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCN(C(=O)C2CC2)CC1 ZINC000036001104 569745878 /nfs/dbraw/zinc/74/58/78/569745878.db2.gz LQECEYBMEAUFSC-UHFFFAOYSA-N 0 0 483.012 4.133 50 0 JIAARN Cc1cccc(-n2c(CN3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)nc3cccnc32)c1 ZINC000097937953 569746024 /nfs/dbraw/zinc/74/60/24/569746024.db2.gz MYVAHOZYTYCGBK-UHFFFAOYSA-N 0 0 489.645 4.161 50 0 JIAARN CC1CCN(C(=O)CCN(C[C@@H]2CCCO2)C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1 ZINC000036002559 569746332 /nfs/dbraw/zinc/74/63/32/569746332.db2.gz CYQKTBQXWXIJQE-FQEVSTJZSA-N 0 0 459.974 4.265 50 0 JIAARN COCc1nc2c(cnn2-c2ccccc2Cl)c(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000036002825 569746334 /nfs/dbraw/zinc/74/63/34/569746334.db2.gz NIIHTFUPZWAOLI-UHFFFAOYSA-N 0 0 497.386 4.231 50 0 JIAARN CCC(=O)Nc1ccc(N2CCCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N(CC)CC)c1 ZINC000036005847 569747308 /nfs/dbraw/zinc/74/73/08/569747308.db2.gz AWLHMWIOKAMMFB-UHFFFAOYSA-N 0 0 468.573 4.009 50 0 JIAARN COc1cccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3ccccc3)no2)c1 ZINC000036012929 569748399 /nfs/dbraw/zinc/74/83/99/569748399.db2.gz RAXYXAHZIKOGAN-UHFFFAOYSA-N 0 0 478.526 4.470 50 0 JIAARN CC(=O)Nc1cccc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)c1 ZINC000097986200 569748574 /nfs/dbraw/zinc/74/85/74/569748574.db2.gz RWBJBIPIMZDYRN-KGENOOAVSA-N 0 0 465.575 4.409 50 0 JIAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)C1CCC1 ZINC000036013523 569748630 /nfs/dbraw/zinc/74/86/30/569748630.db2.gz YEPWGNGGQIRBOZ-UHFFFAOYSA-N 0 0 495.599 4.157 50 0 JIAARN O=C(c1cccs1)N1CCC2(CC1)N[C@H](Cc1ccccc1)C(=O)N2Cc1ccc(F)cc1 ZINC000036014063 569748924 /nfs/dbraw/zinc/74/89/24/569748924.db2.gz JSGZILSFILWMMY-JOCHJYFZSA-N 0 0 463.578 4.063 50 0 JIAARN CC(C)CC(=O)N1CCCN(c2ccc(NC(=O)C3CC3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000036019249 569749788 /nfs/dbraw/zinc/74/97/88/569749788.db2.gz ZKVPYEIHONZOPD-UHFFFAOYSA-N 0 0 494.611 4.189 50 0 JIAARN CC(C)(C)NC(=O)N1CCCN(c2ccc(NC(=O)C3CCCC3)cc2C(=O)N2CCCCC2)CC1 ZINC000036019617 569749925 /nfs/dbraw/zinc/74/99/25/569749925.db2.gz UOOWLPVIVOPYRX-UHFFFAOYSA-N 0 0 497.684 4.462 50 0 JIAARN COc1ccc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](C(=O)NCc3cccnc3)C2)cc1 ZINC000036021573 569750187 /nfs/dbraw/zinc/75/01/87/569750187.db2.gz UCQSIIOBEMJTQX-XZOQPEGZSA-N 0 0 483.490 4.281 50 0 JIAARN COc1ccc(C(=O)N2CCCN(c3nc(C)nc4c3c(C)nn4-c3ccc(C)cc3)CC2)cc1 ZINC000036024877 569750458 /nfs/dbraw/zinc/75/04/58/569750458.db2.gz RSGPAGLEXMPDTN-UHFFFAOYSA-N 0 0 470.577 4.102 50 0 JIAARN COc1cc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc(OC)c1OC ZINC000098211371 569750885 /nfs/dbraw/zinc/75/08/85/569750885.db2.gz FJLQVFBXIYWOGW-UHFFFAOYSA-N 0 0 452.442 4.009 50 0 JIAARN CC[C@H](C)[C@H]1NC2(CCN(C(=S)NC(C)C)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000036027959 569751185 /nfs/dbraw/zinc/75/11/85/569751185.db2.gz BYKOEOQZZGCOQN-QFBILLFUSA-N 0 0 470.605 4.127 50 0 JIAARN CC(C)Cn1c(CN(C(=O)c2cccc(F)c2)C2CC2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030129 569751504 /nfs/dbraw/zinc/75/15/04/569751504.db2.gz JPTLHJDEVIZFKQ-UHFFFAOYSA-N 0 0 469.582 4.457 50 0 JIAARN Cc1ccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccccc3)n2C2CC2)C[C@@H]2CCCO2)cc1 ZINC000036030534 569751710 /nfs/dbraw/zinc/75/17/10/569751710.db2.gz PZHRRICTAPMNHA-VWLOTQADSA-N 0 0 493.629 4.322 50 0 JIAARN Cc1ccccc1C(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CC1)C[C@H]1CCCO1 ZINC000036030545 569751714 /nfs/dbraw/zinc/75/17/14/569751714.db2.gz KISYYPWAHJWMST-XMMPIXPASA-N 0 0 493.629 4.322 50 0 JIAARN CC(C)(C)CC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C1CC1 ZINC000036030732 569751780 /nfs/dbraw/zinc/75/17/80/569751780.db2.gz DBBAJJBTROHYOX-NRFANRHFSA-N 0 0 491.629 4.102 50 0 JIAARN CC(C)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)c1ccccc1 ZINC000036030832 569751811 /nfs/dbraw/zinc/75/18/11/569751811.db2.gz OYWMVIXINOLARF-DEOSSOPVSA-N 0 0 499.608 4.226 50 0 JIAARN O=C(c1ccc(CSc2nc(-c3ccccc3)cc(N3CCCC3)n2)o1)N1CCOCC1 ZINC000036038841 569752449 /nfs/dbraw/zinc/75/24/49/569752449.db2.gz OMQPGHQVRUFPKH-UHFFFAOYSA-N 0 0 450.564 4.102 50 0 JIAARN COCCn1c(CN(C(=O)C2CCCC2)C(C)C)cnc1S(=O)(=O)Cc1ccccc1Cl ZINC000036039929 569752809 /nfs/dbraw/zinc/75/28/09/569752809.db2.gz LPPDEYBAJRDFAJ-UHFFFAOYSA-N 0 0 482.046 4.084 50 0 JIAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1C(C)C)C(=O)c1cccs1 ZINC000036040392 569753020 /nfs/dbraw/zinc/75/30/20/569753020.db2.gz DGSSDWIHFRXXMN-UHFFFAOYSA-N 0 0 475.636 4.097 50 0 JIAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1C(C)C)C(=O)CC(C)(C)C ZINC000036040397 569753046 /nfs/dbraw/zinc/75/30/46/569753046.db2.gz AJXDOENYBNACHE-UHFFFAOYSA-N 0 0 463.644 4.158 50 0 JIAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(C(=S)NC2CC2)C(C)C)n1CC(C)C ZINC000036040643 569753244 /nfs/dbraw/zinc/75/32/44/569753244.db2.gz XTPCYKCDDZSUJD-UHFFFAOYSA-N 0 0 462.685 4.069 50 0 JIAARN CC(C)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=S)NC1CC1 ZINC000036040714 569753345 /nfs/dbraw/zinc/75/33/45/569753345.db2.gz MERQMFAWJVNSPS-UHFFFAOYSA-N 0 0 482.675 4.153 50 0 JIAARN COc1cc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCCC(C)C)cc(OC)c1OC ZINC000036044393 569754997 /nfs/dbraw/zinc/75/49/97/569754997.db2.gz SGNBWIQZBKECLK-NHCUHLMSSA-N 0 0 489.012 4.384 50 0 JIAARN CCCCNC(=O)[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044438 569755112 /nfs/dbraw/zinc/75/51/12/569755112.db2.gz XOAXUBBQINYAHW-UXHICEINSA-N 0 0 474.985 4.138 50 0 JIAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)C(=O)c1cccs1 ZINC000036044815 569755240 /nfs/dbraw/zinc/75/52/40/569755240.db2.gz VINQNILKXOGMQF-UHFFFAOYSA-N 0 0 478.549 4.467 50 0 JIAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)Cc1ccccc1 ZINC000036046006 569755414 /nfs/dbraw/zinc/75/54/14/569755414.db2.gz PQFRGVQAODARAU-UHFFFAOYSA-N 0 0 468.557 4.196 50 0 JIAARN CCOc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=O)c2ccco2)cc1 ZINC000036048416 569755995 /nfs/dbraw/zinc/75/59/95/569755995.db2.gz RTYMEJPHFTVPPP-OAQYLSRUSA-N 0 0 479.533 4.257 50 0 JIAARN COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1)N(C(=O)Nc1ccccc1F)CC2 ZINC000036048385 569756058 /nfs/dbraw/zinc/75/60/58/569756058.db2.gz URXGXXSVZUJYAD-QFIPXVFZSA-N 0 0 463.509 4.404 50 0 JIAARN CCOc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=O)CC(C)C)cc1 ZINC000036048424 569756066 /nfs/dbraw/zinc/75/60/66/569756066.db2.gz VZBSBBQBXDQGAR-JOCHJYFZSA-N 0 0 469.582 4.396 50 0 JIAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(OC)c(OC)c1)C(=O)CC(C)C ZINC000036049316 569756249 /nfs/dbraw/zinc/75/62/49/569756249.db2.gz WKGBYEKEXBIJND-UHFFFAOYSA-N 0 0 464.566 4.390 50 0 JIAARN COc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CC(C)C)C(=O)C(C)C)n2)cc1 ZINC000036051109 569756339 /nfs/dbraw/zinc/75/63/39/569756339.db2.gz TZSALWDYOUTQBE-UHFFFAOYSA-N 0 0 462.594 4.935 50 0 JIAARN CCC(=O)N(CCOC)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C)cc1 ZINC000036051390 569756594 /nfs/dbraw/zinc/75/65/94/569756594.db2.gz CQCKVAKVQIPFKD-UHFFFAOYSA-N 0 0 454.958 4.325 50 0 JIAARN O=C(CS[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000100275899 569756612 /nfs/dbraw/zinc/75/66/12/569756612.db2.gz JYJJEOHBJGMBKM-OAHLLOKOSA-N 0 0 458.845 4.242 50 0 biogenic JIAARN O=C(CS[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000100288985 569756813 /nfs/dbraw/zinc/75/68/13/569756813.db2.gz LFPYUZZNQUMRID-HNNXBMFYSA-N 0 0 453.745 4.106 50 0 JIAARN COc1ccc(CCNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000036255560 569758832 /nfs/dbraw/zinc/75/88/32/569758832.db2.gz MHMKZDUUEKEXDV-VWLOTQADSA-N 0 0 484.040 4.024 50 0 JIAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(C[C@@H]2CCCO2)C(=O)c2cccs2)c1 ZINC000036314336 569761919 /nfs/dbraw/zinc/76/19/19/569761919.db2.gz VINHBUWTXZDBTE-FQEVSTJZSA-N 0 0 467.591 4.370 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000036341233 569764350 /nfs/dbraw/zinc/76/43/50/569764350.db2.gz FFPKLDYMJVKSEI-LJAQVGFWSA-N 0 0 498.627 4.199 50 0 JIAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc(OC)cc1OC ZINC000036342478 569765826 /nfs/dbraw/zinc/76/58/26/569765826.db2.gz MGQGMFYFQXOLFL-DQEYMECFSA-N 0 0 493.604 4.108 50 0 JIAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2cccc(F)c2)CC1 ZINC000036344748 569767253 /nfs/dbraw/zinc/76/72/53/569767253.db2.gz AEKOWJJMPACFSM-DEOSSOPVSA-N 0 0 451.542 4.087 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2cccc(F)c2)C1 ZINC000036344794 569767261 /nfs/dbraw/zinc/76/72/61/569767261.db2.gz DTCGMNNVVIKUBA-BWKNWUBXSA-N 0 0 465.569 4.395 50 0 JIAARN COc1ccccc1[C@H]1CC(c2ccccc2)=NN1C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000036345262 569767811 /nfs/dbraw/zinc/76/78/11/569767811.db2.gz DCPYOPOFZSYLIV-HHHXNRCGSA-N 0 0 468.601 4.191 50 0 JIAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccccc2F)CC1 ZINC000036345510 569768076 /nfs/dbraw/zinc/76/80/76/569768076.db2.gz ZWBMJXJODCDWCN-RUZDIDTESA-N 0 0 465.569 4.395 50 0 JIAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036345985 569768629 /nfs/dbraw/zinc/76/86/29/569768629.db2.gz CABBBUASQFYROY-QFIPXVFZSA-N 0 0 471.573 4.346 50 0 JIAARN CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000100820315 569770928 /nfs/dbraw/zinc/77/09/28/569770928.db2.gz CJEHHUOXRRGKLZ-OQTLSSFXSA-N 0 0 473.620 4.036 50 0 JIAARN Cc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)n(C)c21 ZINC000100821278 569771288 /nfs/dbraw/zinc/77/12/88/569771288.db2.gz VSZJLEIMNXNLOT-IZHYLOQSSA-N 0 0 465.600 4.110 50 0 JIAARN Cc1ccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)n(C)c2c1C ZINC000100821332 569771340 /nfs/dbraw/zinc/77/13/40/569771340.db2.gz VDNBAYDNAACUFT-FTOHGRHOSA-N 0 0 457.621 4.161 50 0 JIAARN CCOCCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(OC)cc1OC ZINC000100873381 569773293 /nfs/dbraw/zinc/77/32/93/569773293.db2.gz GUPXVJKEUKSZNJ-XDOYNYLZSA-N 0 0 465.369 4.260 50 0 JIAARN CCOCCn1c2ccc(C)cc2s/c1=N\C(=O)c1ccccc1I ZINC000100873289 569773296 /nfs/dbraw/zinc/77/32/96/569773296.db2.gz CFMVJXMEIYBLHG-VZCXRCSSSA-N 0 0 466.344 4.393 50 0 JIAARN Cn1c2ccc(Br)cc2c(Cl)c1C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000036395199 569774870 /nfs/dbraw/zinc/77/48/70/569774870.db2.gz QQXWOWUXXNXVKA-UHFFFAOYSA-N 0 0 460.759 4.192 50 0 JIAARN C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1)C(=O)c1ccc(F)c(F)c1 ZINC000036413166 569775604 /nfs/dbraw/zinc/77/56/04/569775604.db2.gz OWNNESSXCAEDIE-UONOGXRCSA-N 0 0 485.936 4.467 50 0 JIAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)N2C(CC(=O)NCCOc3ccccc3)=CSC2=N1 ZINC000100934904 569776594 /nfs/dbraw/zinc/77/65/94/569776594.db2.gz KBRZKORFGMOUQU-XMMPIXPASA-N 0 0 477.586 4.410 50 0 JIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3cccc(F)c3)N2[C@@H]1c1ccccc1OC ZINC000100945376 569777310 /nfs/dbraw/zinc/77/73/10/569777310.db2.gz UMSAUNHTEGYSDF-HSZRJFAPSA-N 0 0 481.549 4.289 50 0 JIAARN CCOC(=O)c1sc(N(CC)C(=O)Cn2nc(C(F)F)c3c2CCC3)nc1C(F)(F)F ZINC000036614176 569778212 /nfs/dbraw/zinc/77/82/12/569778212.db2.gz SQGXTMKXANXNDN-UHFFFAOYSA-N 0 0 466.432 4.015 50 0 JIAARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1nn2c([n-]1)nc(-c1ccccc1)cc2=O ZINC000101003029 569778880 /nfs/dbraw/zinc/77/88/80/569778880.db2.gz DFIQDZHDBOABNF-UHFFFAOYSA-N 0 0 495.109 4.499 50 0 JIAARN O=C1[C@@H]2C(c3ccc(Br)cc3)=NO[C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101036268 569780291 /nfs/dbraw/zinc/78/02/91/569780291.db2.gz JGCVGDOKMDRKIM-HIFRSBDPSA-N 0 0 473.632 4.414 50 0 JIAARN Cn1ncc2c1ncnc2SCC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000037136554 569781394 /nfs/dbraw/zinc/78/13/94/569781394.db2.gz FHYMUBDTPNECFV-QGZVFWFLSA-N 0 0 458.503 4.173 50 0 JIAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000037143093 569781473 /nfs/dbraw/zinc/78/14/73/569781473.db2.gz NGJQAJQXGIYIJZ-HSZRJFAPSA-N 0 0 478.574 4.046 50 0 JIAARN COc1ccc(OC)c([C@H]2CCCN2CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)c1 ZINC000037203362 569781575 /nfs/dbraw/zinc/78/15/75/569781575.db2.gz ORCRCVHTOMUVRA-VAVYLYDRSA-N 0 0 485.584 4.488 50 0 JIAARN CC[C@@H](C)NC(=O)c1coc(CN2C(=O)COc3ccc(C(=O)COc4c(C)cccc4C)cc32)n1 ZINC000037275213 569782013 /nfs/dbraw/zinc/78/20/13/569782013.db2.gz KKDLAPHFMOINPV-GOSISDBHSA-N 0 0 491.544 4.007 50 0 JIAARN C[C@H](C(=O)NCc1ccc(F)cc1)N1C(=O)COc2ccc(C(=O)COc3cccc(Cl)c3)cc21 ZINC000037275100 569782084 /nfs/dbraw/zinc/78/20/84/569782084.db2.gz CYSVQMJHWYQIGJ-MRXNPFEDSA-N 0 0 496.922 4.171 50 0 JIAARN Cc1cccc([C@H]2c3cc(O[C@@H](C)C(=O)N4CCOCC4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000037282002 569783046 /nfs/dbraw/zinc/78/30/46/569783046.db2.gz PUNZOYXOILQQSB-IDISGSTGSA-N 0 0 476.617 4.285 50 0 JIAARN COc1cc(C)ccc1Oc1cc(N2CCN(C(=O)Cc3ccc(F)cc3)[C@@H](C)C2)ncn1 ZINC000037356162 569783372 /nfs/dbraw/zinc/78/33/72/569783372.db2.gz IYSLPZFJEORPBO-SFHVURJKSA-N 0 0 450.514 4.005 50 0 JIAARN COc1cccc(C(=O)N2CCN(c3cc(Oc4ccc(F)cc4Cl)ncn3)C[C@H]2C)c1 ZINC000037356346 569783384 /nfs/dbraw/zinc/78/33/84/569783384.db2.gz CESYLXNRHMKAQN-OAHLLOKOSA-N 0 0 456.905 4.421 50 0 JIAARN COc1ccccc1-c1nc(NC[C@@H]2CCCO2)nc2nn(-c3ccc(Cl)cc3)c(N)c21 ZINC000037358672 569783741 /nfs/dbraw/zinc/78/37/41/569783741.db2.gz MDVJHBLIHPZPHC-INIZCTEOSA-N 0 0 450.930 4.318 50 0 JIAARN CC(C)n1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)Nc1ccccc1F ZINC000101160901 569785100 /nfs/dbraw/zinc/78/51/00/569785100.db2.gz AVZBZYPAWUUHOW-UHFFFAOYSA-N 0 0 456.543 4.481 50 0 JIAARN CCCN(CCC(=O)NCCOC)c1nc(-c2cccc(Br)c2)nc2ccccc21 ZINC000037382453 569785279 /nfs/dbraw/zinc/78/52/79/569785279.db2.gz DNBIIBRQXFSCAY-UHFFFAOYSA-N 0 0 471.399 4.428 50 0 JIAARN O=C(CCN(CCCN1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21)NC1CC1 ZINC000037384467 569785615 /nfs/dbraw/zinc/78/56/15/569785615.db2.gz QRQNLRLZCTWALY-UHFFFAOYSA-N 0 0 494.039 4.148 50 0 JIAARN COc1nc(-c2cccc(OC)c2)n(-c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)n1 ZINC000037385142 569786122 /nfs/dbraw/zinc/78/61/22/569786122.db2.gz XHPUHVUHLSQLGT-UHFFFAOYSA-N 0 0 450.520 4.061 50 0 JIAARN COCCOc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000037385288 569786161 /nfs/dbraw/zinc/78/61/61/569786161.db2.gz OYOSSJORMSLQBN-UHFFFAOYSA-N 0 0 450.445 4.490 50 0 JIAARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)ccc1O ZINC000101210015 569787138 /nfs/dbraw/zinc/78/71/38/569787138.db2.gz GDFNDKPKSZGTAM-VSKRKVRLSA-N 0 0 468.868 4.244 50 0 JIAARN COCCNC(=O)c1ccc(CSc2nnc(-c3ccncc3)n2-c2cccc(C)c2)cc1 ZINC000037398519 569787226 /nfs/dbraw/zinc/78/72/26/569787226.db2.gz WICOUWUCEDFUKR-UHFFFAOYSA-N 0 0 459.575 4.306 50 0 JIAARN COCC(=O)N1CCN(Cc2c(-c3ccc(F)cc3)nc3sc4cc(Cl)ccc4n23)CC1 ZINC000037399512 569787683 /nfs/dbraw/zinc/78/76/83/569787683.db2.gz LPRJCKWXNLWJDB-UHFFFAOYSA-N 0 0 472.973 4.299 50 0 JIAARN COc1ccc(NC(=O)Cn2c3cc(Cl)ccc3c(=O)n(-c3ccc(C)c(C)c3)c2=O)cc1OC ZINC000037399238 569787701 /nfs/dbraw/zinc/78/77/01/569787701.db2.gz CDALODTXGAWFSO-UHFFFAOYSA-N 0 0 493.947 4.079 50 0 JIAARN COc1cc(OC)c([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101236476 569787732 /nfs/dbraw/zinc/78/77/32/569787732.db2.gz CKVGSLAKNHETNL-VXNXHJTFSA-N 0 0 494.931 4.417 50 0 JIAARN CC[C@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(=O)c1ccco1 ZINC000037400471 569788128 /nfs/dbraw/zinc/78/81/28/569788128.db2.gz LQCKBOYLSSBTOJ-KRWDZBQOSA-N 0 0 470.547 4.447 50 0 JIAARN CC[C@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(=O)C1CCC1 ZINC000037400476 569788144 /nfs/dbraw/zinc/78/81/44/569788144.db2.gz GDDYIGYZVIHCTI-KRWDZBQOSA-N 0 0 458.580 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COc1ccc(CNC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)cc1OC ZINC000101282279 569789079 /nfs/dbraw/zinc/78/90/79/569789079.db2.gz CBYFWPGSRRMIDQ-UHFFFAOYSA-N 0 0 488.931 4.419 50 0 JIAARN CCN1CCN(C(=O)CCN(C(=O)c2csc(Nc3cc(Cl)ccc3Cl)n2)C2CC2)CC1 ZINC000037427391 569789453 /nfs/dbraw/zinc/78/94/53/569789453.db2.gz FZAFOPATRDCYDY-UHFFFAOYSA-N 0 0 496.464 4.352 50 0 JIAARN CCCNC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4ccc(C)c(C)c4)cc32)o1 ZINC000037511223 569791447 /nfs/dbraw/zinc/79/14/47/569791447.db2.gz BTSUFGJZOAWJPW-UHFFFAOYSA-N 0 0 476.529 4.224 50 0 JIAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(=O)c3cc(F)cc(F)c3)CC2)cc1 ZINC000037524292 569793007 /nfs/dbraw/zinc/79/30/07/569793007.db2.gz BYUZGPLSSZLFTK-UHFFFAOYSA-N 0 0 493.554 4.345 50 0 JIAARN O=C(NC[C@@H]1CCCO1)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000037524538 569793113 /nfs/dbraw/zinc/79/31/13/569793113.db2.gz VLOIMQMJHXQVAS-SFHVURJKSA-N 0 0 476.404 4.301 50 0 JIAARN O=C(Cc1cccs1)NC1CCN(c2ccccc2C(=O)NCc2ccc(F)cc2)CC1 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Cc1cccc(C)c1OCC(=O)NCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1C ZINC000001008532 194002415 /nfs/dbraw/zinc/00/24/15/194002415.db2.gz GQWWNHYULKGLMI-UHFFFAOYSA-N 0 0 489.601 4.011 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000001014980 194003348 /nfs/dbraw/zinc/00/33/48/194003348.db2.gz DSCIQUXWWSKYDV-UHFFFAOYSA-N 0 0 462.930 4.317 50 0 JIAARN O=C(Nc1ccc(I)cc1C(=O)NC[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000001017537 194003934 /nfs/dbraw/zinc/00/39/34/194003934.db2.gz OKGIUQCTGFOHOO-OAHLLOKOSA-N 0 0 484.721 4.106 50 0 JIAARN COc1ccc(N(C(=O)COc2ccccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001019205 194004046 /nfs/dbraw/zinc/00/40/46/194004046.db2.gz OLMWYXUZRAPQKA-UHFFFAOYSA-N 0 0 461.923 4.158 50 0 JIAARN O=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1c2ccccc2Sc2ccccc21 ZINC000001024176 194004665 /nfs/dbraw/zinc/00/46/65/194004665.db2.gz MICMVTHNGGNINV-UHFFFAOYSA-N 0 0 470.547 4.290 50 0 biogenic JIAARN O=C1C[C@H](c2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)CN1 ZINC000001058414 194011497 /nfs/dbraw/zinc/01/14/97/194011497.db2.gz CWMNFCVBAYRMNT-NSHDSACASA-N 0 0 452.376 4.129 50 0 JIAARN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000001059611 194012018 /nfs/dbraw/zinc/01/20/18/194012018.db2.gz BFMHJDVSRWNYDT-QGZVFWFLSA-N 0 0 467.595 4.145 50 0 JIAARN O=C(Oc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1)c1ccc(Br)cc1 ZINC000001059680 194012079 /nfs/dbraw/zinc/01/20/79/194012079.db2.gz AJODCRJHUMCQPK-UHFFFAOYSA-N 0 0 457.305 4.229 50 0 JIAARN COC(=O)c1ccc(C)c(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000001063488 194012914 /nfs/dbraw/zinc/01/29/14/194012914.db2.gz QXKSYAQLHHLELC-UHFFFAOYSA-N 0 0 479.769 4.147 50 0 JIAARN CCOC(=O)COc1ccc2ccccc2c1[C@H]1NC(=S)N=C(c2ccccc2)C1C(=O)OCC ZINC000001063494 194013118 /nfs/dbraw/zinc/01/31/18/194013118.db2.gz VQDGNKLDKBPZKC-RUZDIDTESA-N 0 0 490.581 4.275 50 0 JIAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1cc(C)cc(C)c1 ZINC000001066465 194014483 /nfs/dbraw/zinc/01/44/83/194014483.db2.gz KDFGFMJLNCBXQZ-UHFFFAOYSA-N 0 0 496.585 4.226 50 0 JIAARN Cc1ccsc1/C=c1\sc2n(c1=O)[C@H](c1cccs1)C(C(=O)OCc1ccccc1)=C(C)N=2 ZINC000001095706 194022950 /nfs/dbraw/zinc/02/29/50/194022950.db2.gz RMMUXUAAOAGOSA-VLOXRPPESA-N 0 0 492.647 4.410 50 0 JIAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000001105462 194025381 /nfs/dbraw/zinc/02/53/81/194025381.db2.gz WHUVIQVWTVJPDL-UHFFFAOYSA-N 0 0 459.527 4.196 50 0 JIAARN COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C(F)(F)F)ccc3OC)C2=O)c(OC)c1 ZINC000001106521 194025637 /nfs/dbraw/zinc/02/56/37/194025637.db2.gz GTXHTZPVEBVXPC-LSCVHKIXSA-N 0 0 496.463 4.406 50 0 JIAARN CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1Cl ZINC000001108339 194026202 /nfs/dbraw/zinc/02/62/02/194026202.db2.gz IDLHAQZQSKBOAG-UHFFFAOYSA-N 0 0 464.378 4.266 50 0 JIAARN CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(F)c(Cl)c1 ZINC000001110695 194027177 /nfs/dbraw/zinc/02/71/77/194027177.db2.gz BCZSIYANBRNQQP-UHFFFAOYSA-N 0 0 460.958 4.474 50 0 JIAARN CCOc1ccccc1N(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000001110765 194027219 /nfs/dbraw/zinc/02/72/19/194027219.db2.gz QRMUOKJBHLGUHU-UHFFFAOYSA-N 0 0 470.616 4.319 50 0 JIAARN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1)c1ccccc1 ZINC000001076637 194018569 /nfs/dbraw/zinc/01/85/69/194018569.db2.gz BZYSVWDJDSZCQU-HNNXBMFYSA-N 0 0 488.949 4.126 50 0 JIAARN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000001082913 194020731 /nfs/dbraw/zinc/02/07/31/194020731.db2.gz PVKNQQJSKSMMHM-UHFFFAOYSA-N 0 0 492.186 4.429 50 0 JIAARN CCOc1ccc(NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000001116658 194030613 /nfs/dbraw/zinc/03/06/13/194030613.db2.gz MFWAGVUVYRGIEM-UHFFFAOYSA-N 0 0 454.548 4.069 50 0 JIAARN COC(=O)C1=CN(c2ccc(C)cc2)C=C(C(=O)OC)C1c1cc(Br)ccc1OC ZINC000001118614 194031462 /nfs/dbraw/zinc/03/14/62/194031462.db2.gz GKWBQJNTPJCWIK-UHFFFAOYSA-N 0 0 472.335 4.484 50 0 JIAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC000001118847 194031955 /nfs/dbraw/zinc/03/19/55/194031955.db2.gz XSJCMRADAFKPPT-UHFFFAOYSA-N 0 0 452.157 4.161 50 0 JIAARN COC(=O)c1ccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000001118926 194032336 /nfs/dbraw/zinc/03/23/36/194032336.db2.gz UHGZSVNLIIUKKB-UHFFFAOYSA-N 0 0 472.950 4.345 50 0 JIAARN Cn1c(SCC(=O)Nc2ccc(I)cc2)nnc1-c1ccccc1Cl ZINC000001129686 194038264 /nfs/dbraw/zinc/03/82/64/194038264.db2.gz KQXSLIIQOQIWQQ-UHFFFAOYSA-N 0 0 484.750 4.471 50 0 JIAARN Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000001122984 194034794 /nfs/dbraw/zinc/03/47/94/194034794.db2.gz WMHXMZZCNITBBZ-UHFFFAOYSA-N 0 0 469.401 4.160 50 0 JIAARN COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000001127923 194037269 /nfs/dbraw/zinc/03/72/69/194037269.db2.gz SPDNDTKANNOCMK-UHFFFAOYSA-N 0 0 460.596 4.047 50 0 JIAARN COC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)C1=O ZINC000001128022 194037465 /nfs/dbraw/zinc/03/74/65/194037465.db2.gz DCDJNOCLOALGIR-LICLKQGHSA-N 0 0 492.347 4.246 50 0 JIAARN O=C1NC(=O)[C@@](CCc2ccncc2)(Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000001128338 194037518 /nfs/dbraw/zinc/03/75/18/194037518.db2.gz YGMHDYRIZIFWFB-XMMPIXPASA-N 0 0 496.336 4.428 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc(C)c3)C(C)C)n2C)cc1 ZINC000001132451 194040251 /nfs/dbraw/zinc/04/02/51/194040251.db2.gz BLUZKYMBFVQDCH-QFIPXVFZSA-N 0 0 481.622 4.380 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)Cc2ccc(Br)cc2)cc1 ZINC000001137900 194043097 /nfs/dbraw/zinc/04/30/97/194043097.db2.gz FTCZXWRZLDZWSM-UHFFFAOYSA-N 0 0 465.413 4.007 50 0 JIAARN COc1ccc(CNC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001147704 194048943 /nfs/dbraw/zinc/04/89/43/194048943.db2.gz OZLSCYXXZHHOIR-UHFFFAOYSA-N 0 0 472.994 4.164 50 0 JIAARN O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc(Br)cc1 ZINC000001139953 194044140 /nfs/dbraw/zinc/04/41/40/194044140.db2.gz BYGNTLJOGAUHBW-UHFFFAOYSA-N 0 0 467.385 4.078 50 0 JIAARN COC(=O)C1=CN(Cc2ccccc2Cl)C=C(C(=O)OC)C1c1cccc(OC)c1OC ZINC000001141179 194044920 /nfs/dbraw/zinc/04/49/20/194044920.db2.gz YJZGCGYXXZQOID-UHFFFAOYSA-N 0 0 457.910 4.070 50 0 JIAARN CCOC(=O)c1oc2cc(OCC(=O)OC(C)(C)C)ccc2c(=O)c1-c1ccc(OC)cc1 ZINC000001141684 194045127 /nfs/dbraw/zinc/04/51/27/194045127.db2.gz HUXLFTHCGRHNKJ-UHFFFAOYSA-N 0 0 454.475 4.366 50 0 biogenic JIAARN COc1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001143525 194046096 /nfs/dbraw/zinc/04/60/96/194046096.db2.gz RCJWGKUSCAESIE-UHFFFAOYSA-N 0 0 489.391 4.287 50 0 JIAARN COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccccc1OC(C)C ZINC000001143667 194046105 /nfs/dbraw/zinc/04/61/05/194046105.db2.gz NTIRWGDLNAPTQY-UHFFFAOYSA-N 0 0 451.519 4.196 50 0 JIAARN Cc1ccc(OCC(=O)NC(=S)Nc2ccc(I)cc2C)cc1C ZINC000001164829 194056841 /nfs/dbraw/zinc/05/68/41/194056841.db2.gz IOIVROJQDAEOER-UHFFFAOYSA-N 0 0 454.333 4.108 50 0 JIAARN Cc1cc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)ccc1Br ZINC000001151211 194050648 /nfs/dbraw/zinc/05/06/48/194050648.db2.gz CESPNEKNOBWQSX-UHFFFAOYSA-N 0 0 466.184 4.469 50 0 JIAARN O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(F)cc1 ZINC000001154889 194052491 /nfs/dbraw/zinc/05/24/91/194052491.db2.gz UFMCZVGAYZEIDW-UHFFFAOYSA-N 0 0 485.356 4.190 50 0 JIAARN COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)cc1C ZINC000001196453 194067374 /nfs/dbraw/zinc/06/73/74/194067374.db2.gz FRNFMSPRGOSAOL-UHFFFAOYSA-N 0 0 457.577 4.164 50 0 JIAARN COc1ccccc1CNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000001171185 194060181 /nfs/dbraw/zinc/06/01/81/194060181.db2.gz RBBQUPNAJDPKRG-UHFFFAOYSA-N 0 0 452.576 4.132 50 0 JIAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1 ZINC000001172548 194060938 /nfs/dbraw/zinc/06/09/38/194060938.db2.gz YNZOAHGNAUYQOL-UHFFFAOYSA-N 0 0 477.355 4.418 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2cc(C)cc(C)c2)cc1OC ZINC000001191449 194065886 /nfs/dbraw/zinc/06/58/86/194065886.db2.gz XUKUXHHGIDIQPS-UHFFFAOYSA-N 0 0 482.602 4.141 50 0 JIAARN COc1cc(/C=C2\N=C(c3cc(I)ccc3Cl)OC2=O)cc(OC)c1 ZINC000001193404 194066139 /nfs/dbraw/zinc/06/61/39/194066139.db2.gz KMDLBSLBLICLHQ-APSNUPSMSA-N 0 0 469.662 4.306 50 0 JIAARN COc1ccc(C(=O)N[C@H](NC(=S)Nc2cccc(NC(C)=O)c2)C(Cl)(Cl)Cl)cc1 ZINC000001232185 194077127 /nfs/dbraw/zinc/07/71/27/194077127.db2.gz LTWBRJXGZAWIMX-QGZVFWFLSA-N 0 0 489.812 4.066 50 0 JIAARN COc1ccc(CC(=O)N[C@@H](NC(=S)Nc2ccccc2C)C(Cl)(Cl)Cl)cc1OC ZINC000001232994 194077535 /nfs/dbraw/zinc/07/75/35/194077535.db2.gz SXJUNHQOMZNRNQ-SFHVURJKSA-N 0 0 490.840 4.354 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCC4)c(Cl)c3n2)cc1OC ZINC000001212313 194071422 /nfs/dbraw/zinc/07/14/22/194071422.db2.gz DIDLIXOQHCWASJ-UHFFFAOYSA-N 0 0 454.836 4.322 50 0 JIAARN CCOC(=O)c1c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)C2=O)sc2c1CCCC2 ZINC000001211317 194071424 /nfs/dbraw/zinc/07/14/24/194071424.db2.gz LGWLLMGVEBFTOY-ATVHPVEESA-N 0 0 470.572 4.479 50 0 JIAARN COc1ccc(CNC(=O)c2cc3nc(-c4ccc(OC)c(OC)c4)cc(C(F)(F)F)n3n2)cc1 ZINC000001216326 194072736 /nfs/dbraw/zinc/07/27/36/194072736.db2.gz ZVKDMIDDQFWGBN-UHFFFAOYSA-N 0 0 486.450 4.371 50 0 JIAARN COC(=O)[C@H](C)Sc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(C)c1)C[C@@H](C(C)C)OC3 ZINC000001282654 194081560 /nfs/dbraw/zinc/08/15/60/194081560.db2.gz HDKTYOCJSWKBSP-YOEHRIQHSA-N 0 0 498.630 4.154 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 ZINC000001302311 194082902 /nfs/dbraw/zinc/08/29/02/194082902.db2.gz USYFDNZRFRAEBY-UHFFFAOYSA-N 0 0 458.547 4.327 50 0 JIAARN Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(Br)cc4)C3)n2)cc1 ZINC000001363336 194102655 /nfs/dbraw/zinc/10/26/55/194102655.db2.gz XJLYMSMWOWFVTD-MRXNPFEDSA-N 0 0 462.369 4.376 50 0 JIAARN COc1ccc(C(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CN(C(C)=O)CC4)cc1OC ZINC000001431302 194119743 /nfs/dbraw/zinc/11/97/43/194119743.db2.gz IDSYVTWNRWABAN-UHFFFAOYSA-N 0 0 479.480 4.050 50 0 JIAARN Cn1c(Sc2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)nnc1C(C)(C)n1cncn1 ZINC000001396555 194114760 /nfs/dbraw/zinc/11/47/60/194114760.db2.gz GITRHAFSFZFAQO-UHFFFAOYSA-N 0 0 488.421 4.322 50 0 JIAARN CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)CSc1nc(C)cc(C)n1 ZINC000001407233 194116053 /nfs/dbraw/zinc/11/60/53/194116053.db2.gz BKIYZFJCNDHZJL-NRFANRHFSA-N 0 0 492.601 4.360 50 0 JIAARN Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)CSC2=[NH+]CCN2)CCCCC1 ZINC000001409264 194116428 /nfs/dbraw/zinc/11/64/28/194116428.db2.gz ONHGVMXMPNYGQN-UHFFFAOYSA-N 0 0 468.623 4.259 50 0 JIAARN COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c1 ZINC000001416204 194117260 /nfs/dbraw/zinc/11/72/60/194117260.db2.gz LHHJPOLKZPKNCV-DLBLZJNESA-N 0 0 456.592 4.389 50 0 JIAARN CC[C@@](C)(C(=O)Nc1ccc2c(c1)OCO2)N(Cc1ccccc1C)C(=O)Cn1nnc2ccccc21 ZINC000001419159 194117589 /nfs/dbraw/zinc/11/75/89/194117589.db2.gz GVZZNNBJPOCANO-NDEPHWFRSA-N 0 0 499.571 4.305 50 0 JIAARN COc1ccc([C@@H]2OC(=O)N(Cc3ccc(OC)c(OC)c3)[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000001423025 194118330 /nfs/dbraw/zinc/11/83/30/194118330.db2.gz MJZDTEFNQVJEPP-AHWVRZQESA-N 0 0 465.502 4.260 50 0 JIAARN 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ZINC000001476215 194125589 /nfs/dbraw/zinc/12/55/89/194125589.db2.gz JENIHKATEFDRFX-UHFFFAOYSA-N 0 0 471.604 4.171 50 0 JIAARN COc1ccc(Cl)cc1C1=NC(=CNc2ccccc2I)C(=O)O1 ZINC000001507563 194126277 /nfs/dbraw/zinc/12/62/77/194126277.db2.gz NJMHMPDRSJJQNM-ZROIWOOFSA-N 0 0 454.651 4.210 50 0 JIAARN CCN(CC)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001439649 194120948 /nfs/dbraw/zinc/12/09/48/194120948.db2.gz IJYBRKCVGGQZIJ-VWLOTQADSA-N 0 0 481.593 4.426 50 0 JIAARN COC(=O)c1ccc([C@H]2[C@@H](Oc3ccc(OC)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000001444325 194122211 /nfs/dbraw/zinc/12/22/11/194122211.db2.gz NJTVDSRJSONYRA-IZZNHLLZSA-N 0 0 491.540 4.073 50 0 JIAARN CCOCCOC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(OC)c(OC)c1)c2=O ZINC000001770228 194136506 /nfs/dbraw/zinc/13/65/06/194136506.db2.gz GSRDQQOHBJTBAU-UHFFFAOYSA-N 0 0 496.434 4.455 50 0 JIAARN Cc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(F)cc1)c2C(=O)Nc1ccc(C)c(C)c1 ZINC000001785926 194139889 /nfs/dbraw/zinc/13/98/89/194139889.db2.gz 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195139611 /nfs/dbraw/zinc/13/96/11/195139611.db2.gz GQMXNQGAEXGUTQ-IBGZPJMESA-N 0 0 468.575 4.150 50 0 JIAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O ZINC000012803780 195140820 /nfs/dbraw/zinc/14/08/20/195140820.db2.gz TUZUAZXWZHLZHK-UHFFFAOYSA-N 0 0 492.885 4.314 50 0 JIAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000012805839 195141544 /nfs/dbraw/zinc/14/15/44/195141544.db2.gz NPKDVBZYSIPZOS-UHFFFAOYSA-N 0 0 498.296 4.493 50 0 JIAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000012807582 195142651 /nfs/dbraw/zinc/14/26/51/195142651.db2.gz XMNPONNJIUUIBZ-OAQYLSRUSA-N 0 0 490.654 4.468 50 0 JIAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012814899 195146384 /nfs/dbraw/zinc/14/63/84/195146384.db2.gz WWXKVILYGZXDJH-UHFFFAOYSA-N 0 0 493.629 4.044 50 0 JIAARN O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccc(Cl)cc1)c1cnccn1 ZINC000012816397 195146967 /nfs/dbraw/zinc/14/69/67/195146967.db2.gz 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Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)nn1CC(=O)NCc1ccco1 ZINC000012846628 195152720 /nfs/dbraw/zinc/15/27/20/195152720.db2.gz CBSLIVBRVLEKAQ-UHFFFAOYSA-N 0 0 474.304 4.315 50 0 JIAARN CNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c32)cc1 ZINC000012851348 195155050 /nfs/dbraw/zinc/15/50/50/195155050.db2.gz PRCBUNCINNILSJ-UHFFFAOYSA-N 0 0 456.549 4.037 50 0 JIAARN Cc1ccc(-c2nc(NC(=O)c3ccc4c(=O)[nH]c(=O)n(C)c4n3)sc2-c2ccc(C)cc2)cc1 ZINC000012855766 195157248 /nfs/dbraw/zinc/15/72/48/195157248.db2.gz LHXKDQHOMWXVQV-UHFFFAOYSA-N 0 0 483.553 4.281 50 0 JIAARN C[C@@H](C(=O)N1CCc2ccccc2C1)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012856497 195157784 /nfs/dbraw/zinc/15/77/84/195157784.db2.gz FOUWIYBVCHRONU-AWEZNQCLSA-N 0 0 453.892 4.203 50 0 JIAARN CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000012868231 195162427 /nfs/dbraw/zinc/16/24/27/195162427.db2.gz SJIBIURJYUXVIB-NDEPHWFRSA-N 0 0 455.558 4.114 50 0 JIAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc(CN3C[C@H](C)C[C@H](C)C3)cs2)C(C)C)c1 ZINC000012871748 195163790 /nfs/dbraw/zinc/16/37/90/195163790.db2.gz UNLOMFTYUAHFBD-JKSBSHDWSA-N 0 0 488.654 4.031 50 0 JIAARN C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012873346 195164652 /nfs/dbraw/zinc/16/46/52/195164652.db2.gz VLVOSHAJUUBBDT-YUNKPMOVSA-N 0 0 450.438 4.205 50 0 JIAARN COc1cccc([C@@H]2CN3C(=O)CN(Cc4ccccc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC ZINC000012873893 195164948 /nfs/dbraw/zinc/16/49/48/195164948.db2.gz SKMQWLXFINUXBD-CHJDUVSTSA-N 0 0 495.579 4.417 50 0 biogenic JIAARN COc1ccc(CN2CCN(C(=O)c3cc(-c4ccco4)nn3-c3ccccc3)CC2)cc1F ZINC000012875501 195165832 /nfs/dbraw/zinc/16/58/32/195165832.db2.gz YRWRBMHBYWIBBD-UHFFFAOYSA-N 0 0 460.509 4.238 50 0 JIAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@@H](C)c1ccccc1 ZINC000012888399 195171629 /nfs/dbraw/zinc/17/16/29/195171629.db2.gz NGOOMVFRDKJENK-FBTAAKMYSA-N 0 0 479.646 4.443 50 0 biogenic JIAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccc(C)cc1 ZINC000012889191 195171834 /nfs/dbraw/zinc/17/18/34/195171834.db2.gz NCPMCRIFFOPTDA-OHBSULSQSA-N 0 0 479.646 4.191 50 0 biogenic JIAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccc(Br)cc2C)n(-c2ccccc2C)n1 ZINC000012888850 195171895 /nfs/dbraw/zinc/17/18/95/195171895.db2.gz RJCMYLITGQFOSD-UHFFFAOYSA-N 0 0 484.398 4.069 50 0 JIAARN CCOc1cc2c(cc1CSCCC(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)O[C@H](C)C2 ZINC000012892751 195174002 /nfs/dbraw/zinc/17/40/02/195174002.db2.gz UWAJQTIUTYQSAY-QGZVFWFLSA-N 0 0 481.618 4.469 50 0 JIAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)NCCc1c[nH]c2ccccc12 ZINC000012893718 195174362 /nfs/dbraw/zinc/17/43/62/195174362.db2.gz GPSVDZLFXDBGSC-UHFFFAOYSA-N 0 0 454.482 4.385 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2C)Cc2ccco2)cc1 ZINC000012894588 195174634 /nfs/dbraw/zinc/17/46/34/195174634.db2.gz TVPXYJQEMFKFDW-UHFFFAOYSA-N 0 0 477.380 4.489 50 0 JIAARN O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000012897409 195175864 /nfs/dbraw/zinc/17/58/64/195175864.db2.gz LSPVGVAZUAGNBW-UHFFFAOYSA-N 0 0 483.949 4.359 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCn1c(=O)oc2cc(Cl)ccc21 ZINC000012863011 195160027 /nfs/dbraw/zinc/16/00/27/195160027.db2.gz SBQQSEFQEUKHRL-UHFFFAOYSA-N 0 0 490.265 4.407 50 0 JIAARN Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4nnc(C5CCCCC5)s4)CC3=O)c2c1 ZINC000012863093 195160219 /nfs/dbraw/zinc/16/02/19/195160219.db2.gz WHHAGZADGHZWHZ-GOSISDBHSA-N 0 0 451.596 4.405 50 0 JIAARN O=C(NCCc1c[nH]c2ccccc12)c1cccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)c1 ZINC000012902247 195178010 /nfs/dbraw/zinc/17/80/10/195178010.db2.gz RSJKGHIJMNZIEZ-VWLOTQADSA-N 0 0 464.525 4.034 50 0 biogenic JIAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1Br ZINC000012906756 195180140 /nfs/dbraw/zinc/18/01/40/195180140.db2.gz OWQCLRPMXWGUBM-MRXNPFEDSA-N 0 0 491.451 4.216 50 0 JIAARN CC[C@@H](C(=O)Nc1c(C)nn(Cc2cnn(CC)c2C)c1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607569 195181527 /nfs/dbraw/zinc/18/15/27/195181527.db2.gz QYEIZMHJTLEGPP-SFHVURJKSA-N 0 0 477.535 4.367 50 0 JIAARN CC[C@H](C(=O)Nc1c(C)nn(Cc2c(C)nn(C)c2C)c1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607568 195181541 /nfs/dbraw/zinc/18/15/41/195181541.db2.gz HDUVSMGAHKLXLU-GOSISDBHSA-N 0 0 477.535 4.192 50 0 JIAARN CC[C@@H](C(=O)Nc1nn(Cc2cn(CC)nc2C)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607642 195181708 /nfs/dbraw/zinc/18/17/08/195181708.db2.gz RNUBLBBLCNKEKP-INIZCTEOSA-N 0 0 483.926 4.403 50 0 JIAARN Cc1nn(C)cc1CN1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)CC1 ZINC000020615766 195187616 /nfs/dbraw/zinc/18/76/16/195187616.db2.gz SNNWOJMQIVRRDQ-UHFFFAOYSA-N 0 0 455.606 4.306 50 0 JIAARN COc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1ccc(C(C)=O)cc1 ZINC000020617381 195189221 /nfs/dbraw/zinc/18/92/21/195189221.db2.gz ZFXFKJPFYCGWKT-SGEDCAFJSA-N 0 0 457.486 4.324 50 0 JIAARN O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)Nc1cc2c(cc1Br)OCCO2 ZINC000020819780 195229445 /nfs/dbraw/zinc/22/94/45/195229445.db2.gz NOPUYSGQIIRZIO-OWOJBTEDSA-N 0 0 452.688 4.297 50 0 JIAARN CN(C(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000020819841 195229448 /nfs/dbraw/zinc/22/94/48/195229448.db2.gz ONAOREZUHXTBOT-UHFFFAOYSA-N 0 0 497.345 4.286 50 0 JIAARN O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1 ZINC000020850669 195230842 /nfs/dbraw/zinc/23/08/42/195230842.db2.gz NWRTTZHNEGVSFY-QHCPKHFHSA-N 0 0 454.979 4.335 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCc2ccc(F)cc2)cc1 ZINC000020850779 195231071 /nfs/dbraw/zinc/23/10/71/195231071.db2.gz GAKAUXBSIMMWTO-XMMPIXPASA-N 0 0 452.551 4.129 50 0 JIAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000020895529 195239619 /nfs/dbraw/zinc/23/96/19/195239619.db2.gz YLYLDCUORSKVGI-IBGZPJMESA-N 0 0 496.358 4.177 50 0 JIAARN CCOCCCN1C(=O)c2cc3ccc(OC)cc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000020903188 195242814 /nfs/dbraw/zinc/24/28/14/195242814.db2.gz QCPFDSNIGZYKFJ-AREMUKBSSA-N 0 0 455.599 4.130 50 0 JIAARN Cc1c(C(=O)N2CCC(N3CCOCC3)CC2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000020919360 195247070 /nfs/dbraw/zinc/24/70/70/195247070.db2.gz CJODMNRQEFACCS-UHFFFAOYSA-N 0 0 469.655 4.239 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2cn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc23)c1 ZINC000020922858 195248372 /nfs/dbraw/zinc/24/83/72/195248372.db2.gz BCBMZEVLYCGSTQ-QZTJIDSGSA-N 0 0 497.617 4.025 50 0 JIAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(S(=O)(=O)c1c(C)cc(C)cc1C)CC2 ZINC000020920737 195247727 /nfs/dbraw/zinc/24/77/27/195247727.db2.gz UTPWFFHFILVVEW-OAQYLSRUSA-N 0 0 475.607 4.260 50 0 JIAARN CCOc1ccc(CCNC(=O)CN2C(=O)c3c(c4ccccc4n3C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000020939040 195254266 /nfs/dbraw/zinc/25/42/66/195254266.db2.gz FOQUQNHRDGSEDY-NDEPHWFRSA-N 0 0 497.595 4.490 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2cc(OC)ccc2cc(CNc2ccccc2)c1=O ZINC000020940247 195254834 /nfs/dbraw/zinc/25/48/34/195254834.db2.gz CXQZYHIIVSXIQY-UHFFFAOYSA-N 0 0 485.540 4.438 50 0 JIAARN Cc1cccc(N2CCN(C(=O)CN3c4cc(Cl)ccc4Oc4ncccc4C3=O)CC2)c1C ZINC000020927811 195249690 /nfs/dbraw/zinc/24/96/90/195249690.db2.gz MHXBERQZSLWTGZ-UHFFFAOYSA-N 0 0 476.964 4.453 50 0 JIAARN CCOC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc2oc(C(=O)OCC)c(C)c2c1 ZINC000020932756 195251870 /nfs/dbraw/zinc/25/18/70/195251870.db2.gz BCRAXYDSWRQUGS-NRFANRHFSA-N 0 0 485.558 4.159 50 0 JIAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)cc1 ZINC000020984128 195259841 /nfs/dbraw/zinc/25/98/41/195259841.db2.gz SPICENICMKQXEN-UHFFFAOYSA-N 0 0 457.606 4.450 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N[C@H](c3cccs3)C(C)C)c2)on1 ZINC000020985209 195260242 /nfs/dbraw/zinc/26/02/42/195260242.db2.gz RMMNFOCAYVCEGF-FQEVSTJZSA-N 0 0 464.565 4.264 50 0 JIAARN CCOc1ccc(NC(=O)N2CCN(c3nnc(C)c4c(C)n(-c5ccc(C)cc5)nc43)CC2)cc1 ZINC000020987681 195261219 /nfs/dbraw/zinc/26/12/19/195261219.db2.gz UBFIZZSWJWUSGC-UHFFFAOYSA-N 0 0 485.592 4.494 50 0 JIAARN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc32)cc1F ZINC000020995097 195263651 /nfs/dbraw/zinc/26/36/51/195263651.db2.gz REBWOLIUDYLAFW-JOCHJYFZSA-N 0 0 463.534 4.211 50 0 JIAARN Cc1cc(NC(=O)[C@@H](NS(=O)(=O)c2cccc3cccnc32)C(C)C)ccc1Br ZINC000020995246 195263999 /nfs/dbraw/zinc/26/39/99/195263999.db2.gz QYPVQPBLWNOPLB-IBGZPJMESA-N 0 0 476.396 4.247 50 0 JIAARN CC1CCN(c2ccc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)cc2)CC1 ZINC000020995549 195264230 /nfs/dbraw/zinc/26/42/30/195264230.db2.gz PDJDUGNXLGCQIV-UHFFFAOYSA-N 0 0 495.645 4.025 50 0 JIAARN O=C(NCCC12CC3CC(CC(C3)C1)C2)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000020996587 195264525 /nfs/dbraw/zinc/26/45/25/195264525.db2.gz FGKJMDKSGHPEIX-UHFFFAOYSA-N 0 0 469.651 4.280 50 0 JIAARN CCCCNC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3cccc(F)c3)c2=O)CC1 ZINC000020996600 195264637 /nfs/dbraw/zinc/26/46/37/195264637.db2.gz SFRYZOBLGAYLRO-UHFFFAOYSA-N 0 0 471.598 4.135 50 0 JIAARN COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)c(F)c3)n3c4ccccc4nc32)cc1 ZINC000021005854 195266423 /nfs/dbraw/zinc/26/64/23/195266423.db2.gz CUPHMDYJFBRAAJ-QFIPXVFZSA-N 0 0 462.456 4.440 50 0 JIAARN CCCCc1nn2c(nc(COC(=O)c3ccc(NC(=O)c4ccccc4OC)cc3)cc2=O)s1 ZINC000021016882 195266957 /nfs/dbraw/zinc/26/69/57/195266957.db2.gz PJBIGFGEIHPOIC-UHFFFAOYSA-N 0 0 492.557 4.112 50 0 JIAARN O=C(CN1c2sc3c(c2C(c2ccc(F)cc2)=NCC1=O)CCC3)Nc1ccc(F)cc1 ZINC000021021666 195267606 /nfs/dbraw/zinc/26/76/06/195267606.db2.gz JLXZNQRXIAKPCZ-UHFFFAOYSA-N 0 0 451.498 4.338 50 0 JIAARN COc1cccc(N2CCN(S(=O)(=O)c3cc(-c4cnc(C5CC5)o4)ccc3C)CC2)c1 ZINC000021034002 195270053 /nfs/dbraw/zinc/27/00/53/195270053.db2.gz LPMRDRNISBJEIW-UHFFFAOYSA-N 0 0 453.564 4.047 50 0 JIAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1cc(C)ccc1OC)CC2 ZINC000021044188 195271349 /nfs/dbraw/zinc/27/13/49/195271349.db2.gz GRWRPDOPFNNYAR-HXUWFJFHSA-N 0 0 456.539 4.495 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)N2CCc3cc(OCC)c(OCC)cc3[C@@H]2CC(=O)OC)cc1 ZINC000021044068 195271365 /nfs/dbraw/zinc/27/13/65/195271365.db2.gz KYSNYSWGJLIINQ-NRFANRHFSA-N 0 0 484.549 4.355 50 0 JIAARN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)N[C@H](C)CCc4ccccc4)CC3)ccc21 ZINC000021053867 195273551 /nfs/dbraw/zinc/27/35/51/195273551.db2.gz BLPCLZKLVBGRSK-HXUWFJFHSA-N 0 0 467.635 4.199 50 0 JIAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)c1 ZINC000021101290 195276548 /nfs/dbraw/zinc/27/65/48/195276548.db2.gz PYVXWPYOEKELSC-UHFFFAOYSA-N 0 0 492.507 4.138 50 0 biogenic JIAARN CCOc1ccccc1NC(=O)Cn1cc(C(=O)c2ccc(F)cc2)c(=O)c2ccc(C)nc21 ZINC000021151467 195282933 /nfs/dbraw/zinc/28/29/33/195282933.db2.gz QFUBFMPIHWVPHV-UHFFFAOYSA-N 0 0 459.477 4.112 50 0 JIAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Br)cc3)cn(CC(=O)Nc3ccccc3)c2n1 ZINC000021151486 195282966 /nfs/dbraw/zinc/28/29/66/195282966.db2.gz KIFQHGWRFIPDKJ-UHFFFAOYSA-N 0 0 476.330 4.337 50 0 JIAARN CCc1ccccc1NC(=O)Cn1cc(C(=O)c2ccccc2OC)c(=O)c2ccc(C)nc21 ZINC000021151532 195282999 /nfs/dbraw/zinc/28/29/99/195282999.db2.gz YTCAUKYFQGVKIY-UHFFFAOYSA-N 0 0 455.514 4.146 50 0 JIAARN COc1cccc(-c2cc(C3=NN(C(C)=O)[C@@H](/C(Br)=C/c4ccccc4)O3)n[nH]2)c1 ZINC000021151747 195283297 /nfs/dbraw/zinc/28/32/97/195283297.db2.gz PTMWMTFTUDYQDN-IFNMQTAJSA-N 0 0 467.323 4.388 50 0 JIAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC4(CC3)Nc3cc(F)ccc3-n3cccc34)cc2C[C@@H]1C ZINC000021152563 195283468 /nfs/dbraw/zinc/28/34/68/195283468.db2.gz YSQHUVPSWJAQSE-KRWDZBQOSA-N 0 0 494.592 4.019 50 0 biogenic JIAARN O=C(CSc1ncnc2c1sc1cccc(F)c12)N1CCN(Cc2ccccc2)CC1 ZINC000021153352 195283919 /nfs/dbraw/zinc/28/39/19/195283919.db2.gz ZTQJHSRZVRVDRY-UHFFFAOYSA-N 0 0 452.580 4.420 50 0 JIAARN COC(=O)c1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000021156801 195284926 /nfs/dbraw/zinc/28/49/26/195284926.db2.gz OFJSHZOQBRHWOX-UHFFFAOYSA-N 0 0 458.474 4.013 50 0 JIAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1CC(=O)Nc1ccc(OC)c(OC)c1)CCCC3 ZINC000021161222 195287548 /nfs/dbraw/zinc/28/75/48/195287548.db2.gz AFWJOJAARZDUGY-UHFFFAOYSA-N 0 0 499.589 4.373 50 0 JIAARN COc1ccccc1[C@H]1OCC(C)(C)n2c(-c3ccc(Cl)cc3)c3c(c21)n(C)c(=O)n(C)c3=O ZINC000021176363 195290020 /nfs/dbraw/zinc/29/00/20/195290020.db2.gz XOQKGVXPGVEMKA-HSZRJFAPSA-N 0 0 479.964 4.222 50 0 JIAARN COc1cc(C(=O)COC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)ccc1OC(F)F ZINC000021228355 195291831 /nfs/dbraw/zinc/29/18/31/195291831.db2.gz SEWBQEKKIOEIMI-RTBURBONSA-N 0 0 487.499 4.418 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ncnn2[C@@H]1c1ccccc1 ZINC000021349871 195296024 /nfs/dbraw/zinc/29/60/24/195296024.db2.gz LLVKXEWEVMLKRG-OAQYLSRUSA-N 0 0 485.466 4.182 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccccc2CC)c2ncnn2[C@H]1c1ccc(C)cc1 ZINC000021350741 195296358 /nfs/dbraw/zinc/29/63/58/195296358.db2.gz AXDFFBTUIPNPMP-DEOSSOPVSA-N 0 0 459.550 4.034 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2cc(Cl)ccc2C)c2ncnn2[C@H]1c1ccc(C)cc1 ZINC000021350630 195296367 /nfs/dbraw/zinc/29/63/67/195296367.db2.gz MSPBBUAPJRAHOW-QHCPKHFHSA-N 0 0 479.968 4.434 50 0 JIAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc3c(c2)OCCO3)cc1C ZINC000021353701 195297025 /nfs/dbraw/zinc/29/70/25/195297025.db2.gz BNTUJPIYDJRASE-UHFFFAOYSA-N 0 0 458.561 4.214 50 0 JIAARN O=C(CCc1nc(CSc2nnc(-c3ccco3)o2)no1)Nc1cccc(Br)c1 ZINC000021355608 195297543 /nfs/dbraw/zinc/29/75/43/195297543.db2.gz SLBGXRKDZQSPQL-UHFFFAOYSA-N 0 0 476.312 4.339 50 0 JIAARN Cc1ccc2[nH]c(C(=O)N3CCN(c4ccccn4)CC3)c(NC(=O)c3ccc(F)cc3)c2c1 ZINC000021362037 195299122 /nfs/dbraw/zinc/29/91/22/195299122.db2.gz PZZOCVPYBWNFHO-UHFFFAOYSA-N 0 0 457.509 4.225 50 0 JIAARN Cc1ccc(-c2noc(Cn3cnc4c(cnn4-c4ccc(Br)cc4)c3=O)n2)cc1C ZINC000021364007 195299618 /nfs/dbraw/zinc/29/96/18/195299618.db2.gz KOBMDMMGKXRBNE-UHFFFAOYSA-N 0 0 477.322 4.060 50 0 JIAARN O=C(CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCc2ccccc21 ZINC000021392961 195300626 /nfs/dbraw/zinc/30/06/26/195300626.db2.gz KSBIKNVJWPLVLE-UHFFFAOYSA-N 0 0 452.908 4.245 50 0 JIAARN Cc1ccc2c(COC(=O)c3ccc4c(c3)S(=O)(=O)N=C3CCCCCN43)cc(=O)oc2c1C ZINC000021457572 195301801 /nfs/dbraw/zinc/30/18/01/195301801.db2.gz JRCRAZMSYCYRBO-UHFFFAOYSA-N 0 0 480.542 4.248 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)CSc2nc(C)cc(C)n2)cc1 ZINC000021465103 195301937 /nfs/dbraw/zinc/30/19/37/195301937.db2.gz UPYGUTYYKOLUOK-HSZRJFAPSA-N 0 0 490.585 4.115 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000021479360 195302747 /nfs/dbraw/zinc/30/27/47/195302747.db2.gz RKCKTRSSQIZQRC-UHFFFAOYSA-N 0 0 489.544 4.172 50 0 JIAARN CCCn1cnc2nc(CSc3ccccc3NC(=O)Nc3cccc(F)c3)cc(=O)n21 ZINC000021800946 195323140 /nfs/dbraw/zinc/32/31/40/195323140.db2.gz YHWYCRLGQNUMHO-UHFFFAOYSA-N 0 0 452.515 4.376 50 0 JIAARN CCOCCCNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1ccccc1CC ZINC000021911499 195329858 /nfs/dbraw/zinc/32/98/58/195329858.db2.gz YTGLPGDNIFLMFP-DEOSSOPVSA-N 0 0 465.619 4.464 50 0 JIAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)NCCC4=CCCCC4)cc3)S2(=O)=O)cc1 ZINC000021913376 195331087 /nfs/dbraw/zinc/33/10/87/195331087.db2.gz NYSJYCOBNUQIEM-UHFFFAOYSA-N 0 0 494.613 4.419 50 0 JIAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)Nc1ccc(OC)cc1 ZINC000021935851 195336307 /nfs/dbraw/zinc/33/63/07/195336307.db2.gz IBQLAOBSHXKTRZ-PMACEKPBSA-N 0 0 450.564 4.460 50 0 JIAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3cc(OC)cc(OC)c3)N2C1=O ZINC000021936304 195336507 /nfs/dbraw/zinc/33/65/07/195336507.db2.gz AHOVLKSRKYVJJL-VBKZILBWSA-N 0 0 466.563 4.223 50 0 JIAARN COc1ccc(NC(=O)[C@H](C)SC2=Nc3ccccc3C3=N[C@@H](CC(C)C)C(=O)N32)cc1 ZINC000021936933 195336856 /nfs/dbraw/zinc/33/68/56/195336856.db2.gz UEMXMFDUSVAJEA-YWZLYKJASA-N 0 0 450.564 4.460 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccccc4Br)no3)C2)cc1 ZINC000021939826 195338451 /nfs/dbraw/zinc/33/84/51/195338451.db2.gz RNMIFRFKFMNLOX-HNNXBMFYSA-N 0 0 462.369 4.376 50 0 JIAARN COc1cc(OC)cc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(C(C)C)cc4)C3)n2)c1 ZINC000021940139 195338799 /nfs/dbraw/zinc/33/87/99/195338799.db2.gz NRXKCDPNJIRSNT-SFHVURJKSA-N 0 0 471.579 4.446 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O ZINC000021942518 195339547 /nfs/dbraw/zinc/33/95/47/195339547.db2.gz KJDYTFMOBCYHLA-UHFFFAOYSA-N 0 0 453.951 4.352 50 0 JIAARN CCCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000057426446 195340703 /nfs/dbraw/zinc/34/07/03/195340703.db2.gz ZMXNEOYWTYTTKQ-UHFFFAOYSA-N 0 0 465.984 4.429 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(Cl)cc3)c2=O)c(Cl)c1 ZINC000057473101 195342767 /nfs/dbraw/zinc/34/27/67/195342767.db2.gz MICVNPBVUKCGDE-UHFFFAOYSA-N 0 0 468.340 4.465 50 0 JIAARN O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)NCc1ccccc1Br ZINC000057486665 195344559 /nfs/dbraw/zinc/34/45/59/195344559.db2.gz KODSJHCLQAQLCS-UHFFFAOYSA-N 0 0 455.287 4.423 50 0 JIAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)NCc2ccc(F)cc2F)c1 ZINC000057487484 195345000 /nfs/dbraw/zinc/34/50/00/195345000.db2.gz LTKKRYMSCWPOKL-UHFFFAOYSA-N 0 0 457.527 4.442 50 0 JIAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1F)Nc1ccc2c(c1)OCO2 ZINC000057487560 195345175 /nfs/dbraw/zinc/34/51/75/195345175.db2.gz MZDYOZVGSMXECT-UHFFFAOYSA-N 0 0 455.492 4.046 50 0 JIAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1F)NCCCc1ccccc1 ZINC000057487556 195345258 /nfs/dbraw/zinc/34/52/58/195345258.db2.gz GTERXOUPNBEJDK-UHFFFAOYSA-N 0 0 453.564 4.427 50 0 JIAARN Cc1cc(C)c(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(Cl)cc3)c2=O)c(C)c1 ZINC000057491826 195347290 /nfs/dbraw/zinc/34/72/90/195347290.db2.gz WXXDJAGSRCMRDQ-UHFFFAOYSA-N 0 0 453.951 4.431 50 0 JIAARN Cc1cccc(Cl)c1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(F)cc2C)c1=O ZINC000057493614 195348010 /nfs/dbraw/zinc/34/80/10/195348010.db2.gz WORBIXKMRHFFIV-UHFFFAOYSA-N 0 0 457.914 4.262 50 0 JIAARN CCc1cccc(C)c1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(F)c(C)c2)c1=O ZINC000057494486 195348403 /nfs/dbraw/zinc/34/84/03/195348403.db2.gz LPOWDTMIYWXWOI-UHFFFAOYSA-N 0 0 451.523 4.171 50 0 JIAARN Cc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2F)c(-c2cccc(Cl)c2)n1 ZINC000057526802 195350531 /nfs/dbraw/zinc/35/05/31/195350531.db2.gz YIPYAWNLIAUTBU-UHFFFAOYSA-N 0 0 450.695 4.412 50 0 JIAARN O=C(CNc1cccc(OC[C@H]2CCCO2)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000057769941 195359463 /nfs/dbraw/zinc/35/94/63/195359463.db2.gz ZOISNRCPJOTUNV-DHIUTWEWSA-N 0 0 452.551 4.181 50 0 JIAARN Nc1ncnc2c1ncn2CCCSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000058439461 195379569 /nfs/dbraw/zinc/37/95/69/195379569.db2.gz DPSDOXWUGCIQLP-UHFFFAOYSA-N 0 0 454.629 4.340 50 0 JIAARN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000058052558 195363673 /nfs/dbraw/zinc/36/36/73/195363673.db2.gz LQTUVULTOQGACT-UHFFFAOYSA-N 0 0 471.623 4.196 50 0 JIAARN O=C(COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000058064426 195363776 /nfs/dbraw/zinc/36/37/76/195363776.db2.gz LADNSMACTKRPCP-AREMUKBSSA-N 0 0 456.030 4.076 50 0 JIAARN O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC000058085839 195364510 /nfs/dbraw/zinc/36/45/10/195364510.db2.gz HTDOEWUNEUJYTI-YADHBBJMSA-N 0 0 468.450 4.405 50 0 JIAARN CN(c1ccccc1Oc1ccccc1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000058135647 195365687 /nfs/dbraw/zinc/36/56/87/195365687.db2.gz ZXBDBEBCNYFMGF-UHFFFAOYSA-N 0 0 451.953 4.361 50 0 JIAARN CC(=O)Nc1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c(F)cc1F ZINC000058154280 195367235 /nfs/dbraw/zinc/36/72/35/195367235.db2.gz YIGZYIPOOOASBU-UHFFFAOYSA-N 0 0 465.522 4.129 50 0 JIAARN CCOc1cc2c(c3[nH]c(C(=O)Nc4cccc(S(=O)(=O)NC(C)(C)C)c4)cc31)O[C@H](C)C2 ZINC000058161601 195369109 /nfs/dbraw/zinc/36/91/09/195369109.db2.gz JBDXRBVNJXSOCZ-CQSZACIVSA-N 0 0 471.579 4.219 50 0 JIAARN CCCCCc1nnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)s1 ZINC000058245665 195374885 /nfs/dbraw/zinc/37/48/85/195374885.db2.gz CKDSRNXPLXZAEE-UHFFFAOYSA-N 0 0 460.419 4.224 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(Cl)ccc3F)c12 ZINC000021542170 195314095 /nfs/dbraw/zinc/31/40/95/195314095.db2.gz YEAOZRZIKOLUJM-CQSZACIVSA-N 0 0 462.934 4.022 50 0 JIAARN Brc1ccc2c(c1)OCCOCCOc1cc(Br)ccc1OCCO2 ZINC000021548779 195314374 /nfs/dbraw/zinc/31/43/74/195314374.db2.gz ZOGGPWHWLDXMKP-UHFFFAOYSA-N 0 0 474.145 4.457 50 0 JIAARN Cc1nnc([C@H](Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c2ccccc2)[nH]1 ZINC000058324479 195377549 /nfs/dbraw/zinc/37/75/49/195377549.db2.gz LGAQQFAERHYQEU-JOCHJYFZSA-N 0 0 475.622 4.030 50 0 JIAARN C[C@@H](SC1=Nc2ccccc2C2=N[C@@H](Cc3ccccc3)C(=O)N21)C(=O)NCc1ccccc1 ZINC000021644421 195319353 /nfs/dbraw/zinc/31/93/53/195319353.db2.gz PWWRIFCXOLTECK-JPYJTQIMSA-N 0 0 468.582 4.326 50 0 JIAARN COc1ccc(CNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](c4ccccc4)C(=O)N32)cc1 ZINC000021644035 195319380 /nfs/dbraw/zinc/31/93/80/195319380.db2.gz OANGQFRRNDPHTM-QHCPKHFHSA-N 0 0 470.554 4.076 50 0 JIAARN C[C@H](SC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N21)C(=O)NCCc1ccccc1 ZINC000021644650 195319662 /nfs/dbraw/zinc/31/96/62/195319662.db2.gz XXGFKJWYNKKQLW-MBSDFSHPSA-N 0 0 468.582 4.498 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4OC)nc3n2)cc1 ZINC000021727660 195320724 /nfs/dbraw/zinc/32/07/24/195320724.db2.gz ONRMZRCEGUJERF-UHFFFAOYSA-N 0 0 457.412 4.388 50 0 JIAARN CC(C)(C)c1ccc(C(=O)N2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)cc1 ZINC000064578964 195443742 /nfs/dbraw/zinc/44/37/42/195443742.db2.gz DJCALMSGRLAODA-UHFFFAOYSA-N 0 0 481.600 4.100 50 0 JIAARN O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000059411502 195399432 /nfs/dbraw/zinc/39/94/32/195399432.db2.gz YHTBWXNGQXILIZ-UHFFFAOYSA-N 0 0 462.859 4.347 50 0 JIAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1nnc(C3CCC3)s1)C(=O)OC2 ZINC000062001455 195419517 /nfs/dbraw/zinc/41/95/17/195419517.db2.gz GLTWPPIZWMOLKV-KPKJPENVSA-N 0 0 457.552 4.406 50 0 biogenic JIAARN CCOC(=O)c1oc2ccc(Br)cc2c1Cn1c2ccccc2nc1S(C)(=O)=O ZINC000062564037 195421529 /nfs/dbraw/zinc/42/15/29/195421529.db2.gz FFMKWHWXCBYQAA-UHFFFAOYSA-N 0 0 477.336 4.174 50 0 JIAARN C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000062575469 195422756 /nfs/dbraw/zinc/42/27/56/195422756.db2.gz KJVFMRINPFJAGF-VMPBIOMWSA-N 0 0 488.584 4.363 50 0 JIAARN 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ZINC000014985279 523672498 /nfs/dbraw/zinc/67/24/98/523672498.db2.gz JLVYLYPJAZJGRU-SFHVURJKSA-N 0 0 497.596 4.092 50 0 JIAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000036210133 523716651 /nfs/dbraw/zinc/71/66/51/523716651.db2.gz IVQBYBISIPBFBT-XMMPIXPASA-N 0 0 498.023 4.012 50 0 JIAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000036304327 523738750 /nfs/dbraw/zinc/73/87/50/523738750.db2.gz QJBPNGKYDQFSLM-HSZRJFAPSA-N 0 0 483.609 4.216 50 0 JIAARN COc1ccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2cccc(Cl)c2)c(OC)c1 ZINC000017011911 523743632 /nfs/dbraw/zinc/74/36/32/523743632.db2.gz GBZLGAKOIZDZDG-UHFFFAOYSA-N 0 0 489.923 4.233 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1OC ZINC000033785691 523778448 /nfs/dbraw/zinc/77/84/48/523778448.db2.gz OVMJXVKKJLYODX-XUJYPJAKSA-N 0 0 494.547 4.411 50 0 JIAARN CC[C@H](C(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(C)cc1)CC2)c1ccccc1 ZINC000021654623 523805581 /nfs/dbraw/zinc/80/55/81/523805581.db2.gz XIJWKSQOZIHCBK-IBGZPJMESA-N 0 0 455.605 4.331 50 0 JIAARN COC(=O)[C@@](NC(=O)c1ccc(Cl)cc1)(Nc1ncc(Cl)cc1Cl)C(F)(F)F ZINC000019944299 523826484 /nfs/dbraw/zinc/82/64/84/523826484.db2.gz SCNOMIQGBPXJLC-HNNXBMFYSA-N 0 0 456.635 4.315 50 0 JIAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCCCN3CCCc4ccccc43)C2)s1 ZINC000033078472 523849419 /nfs/dbraw/zinc/84/94/19/523849419.db2.gz LKQKKDVECONDDK-FQEVSTJZSA-N 0 0 463.651 4.429 50 0 JIAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)N3CCN(c4ccc(Cl)cc4)CC3)C2)s1 ZINC000033078358 523850071 /nfs/dbraw/zinc/85/00/71/523850071.db2.gz DIEAHOMTJSTAEJ-KRWDZBQOSA-N 0 0 470.042 4.472 50 0 JIAARN CCc1ccc(-c2noc(CSc3nc4cc5c(cc4c(=O)n3Cc3ccncc3)OCO5)n2)cc1 ZINC000033279847 523865027 /nfs/dbraw/zinc/86/50/27/523865027.db2.gz UEIQYRCXPMOTHA-UHFFFAOYSA-N 0 0 499.552 4.473 50 0 JIAARN CC[C@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)c1ccc(F)cc1 ZINC000036069290 523871006 /nfs/dbraw/zinc/87/10/06/523871006.db2.gz FVFGKZUUVDYINT-NRFANRHFSA-N 0 0 489.595 4.120 50 0 JIAARN COc1ccc(CC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)cc1 ZINC000046122992 523893835 /nfs/dbraw/zinc/89/38/35/523893835.db2.gz SDGWGBSSSXYHIH-SFHVURJKSA-N 0 0 450.564 4.056 50 0 JIAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc(SCc2ccc(C)cc2)ncc1Cl ZINC000041156357 523911840 /nfs/dbraw/zinc/91/18/40/523911840.db2.gz ABBVYYBJUBLWIP-IBGZPJMESA-N 0 0 455.967 4.245 50 0 JIAARN COCCNC(=O)[C@@]1(C)C(=O)n2c(cc3cc(Cl)ccc32)C(=O)N1c1ccc(C(C)C)cc1 ZINC000021883599 523914190 /nfs/dbraw/zinc/91/41/90/523914190.db2.gz PSHHWFUZYKDBRM-VWLOTQADSA-N 0 0 467.953 4.240 50 0 JIAARN CC[C@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(=O)C1CCC1 ZINC000033627581 523924786 /nfs/dbraw/zinc/92/47/86/523924786.db2.gz XROJXNPYDLTINE-IBGZPJMESA-N 0 0 456.583 4.295 50 0 JIAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1cccc(F)c1)n(Cc1ccccc1)c2=O ZINC000033074116 523927079 /nfs/dbraw/zinc/92/70/79/523927079.db2.gz ZPSSOLGCHGHTFK-UHFFFAOYSA-N 0 0 477.561 4.252 50 0 JIAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1ccccc1)n(CCc1ccccc1)c2=O ZINC000033074227 523927854 /nfs/dbraw/zinc/92/78/54/523927854.db2.gz UWTULEDEWBZXAU-UHFFFAOYSA-N 0 0 473.598 4.308 50 0 JIAARN CN1CCN(c2nc3ccccc3nc2C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000033086092 523929022 /nfs/dbraw/zinc/92/90/22/523929022.db2.gz FLNNWOVNJXPUGU-UHFFFAOYSA-N 0 0 453.546 4.213 50 0 JIAARN CCc1ccc(CNC(=O)C2CCN(c3c(NC(C)=O)c(C)nn3-c3ccccc3)CC2)cc1 ZINC000021650525 523931927 /nfs/dbraw/zinc/93/19/27/523931927.db2.gz UUIGNGIWDYIONQ-UHFFFAOYSA-N 0 0 459.594 4.234 50 0 JIAARN COc1ccc(CCN(C)C(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC ZINC000002642830 523939089 /nfs/dbraw/zinc/93/90/89/523939089.db2.gz NDWKESNOUYUMAV-CQSZACIVSA-N 0 0 470.349 4.022 50 0 JIAARN COc1ccc(CCN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1OC ZINC000021858117 523946633 /nfs/dbraw/zinc/94/66/33/523946633.db2.gz CTEXLLDXDXENNJ-PMERELPUSA-N 0 0 497.595 4.432 50 0 JIAARN COc1ccc(CCN2C(=O)c3cc4oc(C)cc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1OC ZINC000021810742 523947578 /nfs/dbraw/zinc/94/75/78/523947578.db2.gz IJIMDTGPZJTTJI-NDEPHWFRSA-N 0 0 493.604 4.466 50 0 JIAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(O)c2)cc1OC ZINC000002154017 523949735 /nfs/dbraw/zinc/94/97/35/523949735.db2.gz FRHXTZLPBVCQPS-XMMPIXPASA-N 0 0 457.482 4.304 50 0 biogenic JIAARN COc1ccc(CCNC(=O)CC[C@]2(Cc3cccc4ccccc43)CCC(=O)N2)cc1OC ZINC000014884340 523956580 /nfs/dbraw/zinc/95/65/80/523956580.db2.gz DMCBLDMNLCSVST-MUUNZHRXSA-N 0 0 460.574 4.187 50 0 JIAARN COc1ccc(CCNC(=O)CSCc2nc(-c3ccc(OC)c(OC)c3)oc2C)cc1OC ZINC000008597258 523959730 /nfs/dbraw/zinc/95/97/30/523959730.db2.gz GRYKUPHFWAJYDX-UHFFFAOYSA-N 0 0 486.590 4.277 50 0 biogenic JIAARN COc1ccc(CCNC(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(C)c2)cc1OC ZINC000027753198 523959945 /nfs/dbraw/zinc/95/99/45/523959945.db2.gz YEEUYISLCSXGTQ-UHFFFAOYSA-N 0 0 489.601 4.106 50 0 JIAARN CCc1ccc(N(CC(=O)Nc2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000016161625 523961239 /nfs/dbraw/zinc/96/12/39/523961239.db2.gz ZEEFERJHAWGOTO-UHFFFAOYSA-N 0 0 454.548 4.100 50 0 JIAARN CC[C@H](C)NC(=O)CN(Cc1ccccc1)C(=O)c1csc(Nc2ccccc2OC)n1 ZINC000037437116 523970898 /nfs/dbraw/zinc/97/08/98/523970898.db2.gz GOWBOWVMIOONOR-KRWDZBQOSA-N 0 0 452.580 4.452 50 0 JIAARN COc1ccc(CCS(=O)(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)cc1 ZINC000022767584 523980090 /nfs/dbraw/zinc/98/00/90/523980090.db2.gz HVWLQGGHVIWWGG-XMMPIXPASA-N 0 0 456.633 4.018 50 0 JIAARN COc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000037279351 523990420 /nfs/dbraw/zinc/99/04/20/523990420.db2.gz SMNNDALDBSEGFU-AREMUKBSSA-N 0 0 458.558 4.380 50 0 JIAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1F)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036208462 523995686 /nfs/dbraw/zinc/99/56/86/523995686.db2.gz SVGVZPDLCUKOCZ-KSFYIVLOSA-N 0 0 473.976 4.045 50 0 JIAARN CCc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)NCc4ccc(C)cc4)c(O)c3c2)cc1 ZINC000008595125 523996070 /nfs/dbraw/zinc/99/60/70/523996070.db2.gz GKCYFXLQWQRMBS-UHFFFAOYSA-N 0 0 475.570 4.130 50 0 aggregator JIAARN CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2c(C)cc(C)cc2C)C1 ZINC000033250914 523996136 /nfs/dbraw/zinc/99/61/36/523996136.db2.gz BAZCJIYVRCBKEB-PSVQYUNKSA-N 0 0 473.639 4.394 50 0 JIAARN CC[C@H](C)Nc1cnc2c(c1)c(NC(=O)COC)c(C(=O)OC)n2CCCc1ccccc1 ZINC000014747905 524007400 /nfs/dbraw/zinc/00/74/00/524007400.db2.gz YRTCQQPLYWPGSG-KRWDZBQOSA-N 0 0 452.555 4.251 50 0 JIAARN CCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)cc1 ZINC000046124265 524011905 /nfs/dbraw/zinc/01/19/05/524011905.db2.gz FFMOAAKEMDKDFM-GOSISDBHSA-N 0 0 470.620 4.230 50 0 JIAARN COc1ccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021851170 524021493 /nfs/dbraw/zinc/02/14/93/524021493.db2.gz LIPUPKWUVVAXAP-SANMLTNESA-N 0 0 478.618 4.484 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3ccc(Sc4cccc(F)c4)nn3)CC2)cc1 ZINC000045922803 524046356 /nfs/dbraw/zinc/04/63/56/524046356.db2.gz RZBWMMVEJBRFSW-UHFFFAOYSA-N 0 0 452.555 4.308 50 0 JIAARN COc1ccc(CNC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1OC ZINC000008609200 524055325 /nfs/dbraw/zinc/05/53/25/524055325.db2.gz RDZROTVYXFWHAY-UHFFFAOYSA-N 0 0 481.911 4.190 50 0 JIAARN COc1ccc(CNC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)c(=O)c3ccc(C)nc32)cc1 ZINC000021655244 524056026 /nfs/dbraw/zinc/05/60/26/524056026.db2.gz PWMYBFJZKVWITG-UHFFFAOYSA-N 0 0 495.539 4.055 50 0 JIAARN CCc1ccc2nc(N3CCC(C(=O)NCCc4ccc(OC)c(OC)c4)CC3)sc2c1 ZINC000004757373 524059954 /nfs/dbraw/zinc/05/99/54/524059954.db2.gz RATKHZSQVGYOQQ-UHFFFAOYSA-N 0 0 453.608 4.451 50 0 JIAARN CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC4(CC3)OCCO4)c2c1 ZINC000020381197 524060754 /nfs/dbraw/zinc/06/07/54/524060754.db2.gz HBTOGPGZPGSHGE-UHFFFAOYSA-N 0 0 452.576 4.282 50 0 JIAARN CCc1cccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000064951388 524061973 /nfs/dbraw/zinc/06/19/73/524061973.db2.gz CJKAWRRNACSGLD-UHFFFAOYSA-N 0 0 450.926 4.359 50 0 JIAARN COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(-c5cccs5)n4)c3)C2)cc1 ZINC000021885175 524064360 /nfs/dbraw/zinc/06/43/60/524064360.db2.gz OGCXMMHTDBBTAJ-SFHVURJKSA-N 0 0 474.542 4.143 50 0 JIAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nccnc3Sc3cccc(C)c3)C2)c(OC)c1 ZINC000033288805 524064497 /nfs/dbraw/zinc/06/44/97/524064497.db2.gz XSVAIKGHHSZBEK-FQEVSTJZSA-N 0 0 478.618 4.486 50 0 JIAARN COc1ccc(CNC(=O)c2ccc(-c3nc(CCN(C)C(=O)c4cccc(C)c4)no3)cc2)cc1 ZINC000033273503 524066058 /nfs/dbraw/zinc/06/60/58/524066058.db2.gz HAORWIIGWDXMMB-UHFFFAOYSA-N 0 0 484.556 4.298 50 0 JIAARN COc1ccc(CNC(=O)c2ccc([C@H]3Nc4cc(C(F)(F)F)ccc4S(=O)(=O)N3)cc2)cc1 ZINC000033063366 524066569 /nfs/dbraw/zinc/06/65/69/524066569.db2.gz OZOGZHSHZMEPMI-NRFANRHFSA-N 0 0 491.491 4.047 50 0 JIAARN COc1ccc(CNC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2ccc(C)cc2)c3=O)c(OC)c1 ZINC000033251258 524066907 /nfs/dbraw/zinc/06/69/07/524066907.db2.gz OFLMONPCZWTAMC-UHFFFAOYSA-N 0 0 498.583 4.242 50 0 JIAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Br)c1)N(CCCN1CCOCC1)C3=O ZINC000016742083 524099769 /nfs/dbraw/zinc/09/97/69/524099769.db2.gz KTWJYUXOTQESJC-QFIPXVFZSA-N 0 0 497.389 4.131 50 0 JIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000008857574 524118268 /nfs/dbraw/zinc/11/82/68/524118268.db2.gz JJIAAVAHYVARKC-BGYRXZFFSA-N 0 0 476.664 4.480 50 0 JIAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)NCc2ccccc2)c1OC ZINC000036054295 524120532 /nfs/dbraw/zinc/12/05/32/524120532.db2.gz CRWFCGVYKMELFH-BJKOFHAPSA-N 0 0 458.558 4.184 50 0 JIAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)on4)o3)CC2)c1 ZINC000033263896 524126955 /nfs/dbraw/zinc/12/69/55/524126955.db2.gz DAFLSHAEGDJEIE-UHFFFAOYSA-N 0 0 455.458 4.081 50 0 JIAARN COc1ccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)NCCc3c[nH]cn3)cc2)cc1 ZINC000033252302 524127657 /nfs/dbraw/zinc/12/76/57/524127657.db2.gz CPVGXMLOTMDRLS-UHFFFAOYSA-N 0 0 498.612 4.476 50 0 JIAARN Cc1cccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4ccc(Cl)cc4)c3=O)n2)c1 ZINC000048986298 524134426 /nfs/dbraw/zinc/13/44/26/524134426.db2.gz OROGFGAXAJNZFJ-UHFFFAOYSA-N 0 0 450.907 4.274 50 0 JIAARN 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0 biogenic JIAARN Cc1ccc(Cn2c(=O)c(N3CCC(C(=O)Nc4ccc(C)c(F)c4)CC3)nc3cccnc32)cc1 ZINC000033259153 524764062 /nfs/dbraw/zinc/76/40/62/524764062.db2.gz BQYJRVBWQWXBFB-UHFFFAOYSA-N 0 0 485.563 4.451 50 0 JIAARN Cc1ccc(Cn2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000033302669 524764637 /nfs/dbraw/zinc/76/46/37/524764637.db2.gz WAGOVFDGFDCDFT-NRFANRHFSA-N 0 0 490.604 4.487 50 0 JIAARN Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)c3ccc(Br)cc3)c2=O)cc1 ZINC000067206508 524765466 /nfs/dbraw/zinc/76/54/66/524765466.db2.gz CCPZFCZATBEGFQ-UHFFFAOYSA-N 0 0 469.360 4.227 50 0 JIAARN Cc1cccc(OCc2nn(CN3CCC(NC(=O)c4ccc(F)cc4)CC3)c(=S)o2)c1 ZINC000040071358 524767340 /nfs/dbraw/zinc/76/73/40/524767340.db2.gz PMSGOXWSYZMLMV-UHFFFAOYSA-N 0 0 456.543 4.084 50 0 JIAARN Cc1ccc(Cn2c3cc(C(=O)NCc4ccco4)ccc3c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000008596494 524769427 /nfs/dbraw/zinc/76/94/27/524769427.db2.gz VMBOVJOJTMXSFQ-UHFFFAOYSA-N 0 0 465.509 4.032 50 0 JIAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC[C@H](C(=O)NCc4cccs4)C3)c2=O)cc1 ZINC000022599792 524771136 /nfs/dbraw/zinc/77/11/36/524771136.db2.gz ZKZDOMNZZAPIEP-NRFANRHFSA-N 0 0 472.614 4.348 50 0 JIAARN Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cnc(C)cn2)c1 ZINC000014820644 524785361 /nfs/dbraw/zinc/78/53/61/524785361.db2.gz DCTBGTVTWCHQKE-UHFFFAOYSA-N 0 0 466.563 4.313 50 0 JIAARN Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1 ZINC000064931026 524794298 /nfs/dbraw/zinc/79/42/98/524794298.db2.gz WJFRQRKYGDXDKR-QGZVFWFLSA-N 0 0 462.984 4.278 50 0 JIAARN COc1ccc(OC)c(CCNC(=O)c2ccc(C[S@@](=O)Cc3ccccc3Cl)o2)c1 ZINC000020515220 524820921 /nfs/dbraw/zinc/82/09/21/524820921.db2.gz HUSVFTOEZVTFRY-WJOKGBTCSA-N 0 0 461.967 4.372 50 0 JIAARN COc1ccc(OC)c(CN2CCN([C@H](C)C(=O)Nc3cccc(Cl)c3Cl)CC2)c1 ZINC000022933979 524827577 /nfs/dbraw/zinc/82/75/77/524827577.db2.gz ZCEHDRGIXAHFAL-OAHLLOKOSA-N 0 0 452.382 4.155 50 0 JIAARN COc1ccc(OC)c(CNC(=O)CCc2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)c1 ZINC000033283503 524831167 /nfs/dbraw/zinc/83/11/67/524831167.db2.gz RFJOTBMGJCDOSF-UHFFFAOYSA-N 0 0 464.566 4.239 50 0 JIAARN COc1ccc(OC)c(CNS(=O)(=O)c2c3oc(C(=O)N4CCCC4)c(C)c3cc(C)c2C)c1 ZINC000065010562 524836328 /nfs/dbraw/zinc/83/63/28/524836328.db2.gz CFJSYNRBUYMDOE-UHFFFAOYSA-N 0 0 486.590 4.090 50 0 JIAARN COc1ccc(OC)c(COC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000021830008 524838572 /nfs/dbraw/zinc/83/85/72/524838572.db2.gz JHWUDIUIVMPZJK-UHFFFAOYSA-N 0 0 451.441 4.318 50 0 JIAARN Cc1ccc(F)cc1CNC(=O)c1cn(C[C@@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O ZINC000014878893 524852890 /nfs/dbraw/zinc/85/28/90/524852890.db2.gz FCVHTEFEEHYEJT-QHCPKHFHSA-N 0 0 497.611 4.248 50 0 JIAARN COc1ccc(OC)c(NC(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1 ZINC000035399813 524856140 /nfs/dbraw/zinc/85/61/40/524856140.db2.gz HRXMLPGRWGZDFV-UHFFFAOYSA-N 0 0 486.503 4.195 50 0 JIAARN COc1ccc(OC)c(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c1 ZINC000033106842 524858050 /nfs/dbraw/zinc/85/80/50/524858050.db2.gz JNMXFMTWZZHKNF-AWEZNQCLSA-N 0 0 485.541 4.358 50 0 JIAARN COc1ccc(OC)c(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)c1 ZINC000008661478 524864444 /nfs/dbraw/zinc/86/44/44/524864444.db2.gz DKNQOCNVGGDLIF-CLJLJLNGSA-N 0 0 488.540 4.197 50 0 JIAARN Cc1ccc(F)cc1S(=O)(=O)N1CCC(c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000033273214 524869780 /nfs/dbraw/zinc/86/97/80/524869780.db2.gz BBSIXLQHHXYFRZ-UHFFFAOYSA-N 0 0 495.001 4.460 50 0 JIAARN COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)c1 ZINC000040454412 524877726 /nfs/dbraw/zinc/87/77/26/524877726.db2.gz GFULQGGIMWQYKJ-HXUWFJFHSA-N 0 0 454.523 4.435 50 0 JIAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3F)C[C@@H]2C(=O)NCc2ccc(F)cc2)c1 ZINC000036045532 524897108 /nfs/dbraw/zinc/89/71/08/524897108.db2.gz DRVHPOQVZDYERS-GOTSBHOMSA-N 0 0 480.511 4.154 50 0 JIAARN C[C@H](NC(=O)C1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000033588686 524911948 /nfs/dbraw/zinc/91/19/48/524911948.db2.gz SZNVOZSCUARRRU-NBGIEHNGSA-N 0 0 491.632 4.464 50 0 JIAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)NCc2ccccc2)c1 ZINC000036045308 524914685 /nfs/dbraw/zinc/91/46/85/524914685.db2.gz DPIRSNMNEMSNLB-JWQCQUIFSA-N 0 0 458.558 4.184 50 0 JIAARN Cc1ccc(N2C(=O)C[C@H](C(=O)N3CCN(C(=O)c4cccs4)CC3)[C@H]2c2cccs2)cc1 ZINC000016694913 524923263 /nfs/dbraw/zinc/92/32/63/524923263.db2.gz GSFIMRKJOXCIOX-CVDCTZTESA-N 0 0 479.627 4.197 50 0 JIAARN COc1ccc(OC)c2c1cc1n2C[C@](C)(C(=O)N[C@@H]2CCCC[C@@H]2C)N(Cc2ccccn2)C1=O ZINC000021856684 524924843 /nfs/dbraw/zinc/92/48/43/524924843.db2.gz RLDKBVANVFVNPV-ZRUQVRLOSA-N 0 0 490.604 4.163 50 0 JIAARN C[C@@H](Cc1ccco1)NC(=O)CCCn1c(=O)c2cccn2c2ccc(Br)cc21 ZINC000033032055 524926628 /nfs/dbraw/zinc/92/66/28/524926628.db2.gz CXRYUMZHYVVAJX-HNNXBMFYSA-N 0 0 456.340 4.137 50 0 JIAARN Cc1cccc2c(NCc3ccccc3F)nc(CNS(=O)(=O)c3ccc(F)cc3)nc12 ZINC000014966428 524938704 /nfs/dbraw/zinc/93/87/04/524938704.db2.gz OOWXPMXEIHHRBQ-UHFFFAOYSA-N 0 0 454.502 4.307 50 0 JIAARN C[C@@H](Cc1nnc2n1-c1ccccc1C(c1ccccc1Cl)=NC2)N1C(=O)c2ccccc2C1=O ZINC000071769686 524945314 /nfs/dbraw/zinc/94/53/14/524945314.db2.gz JOZRIRABQQWDPO-INIZCTEOSA-N 0 0 481.943 4.499 50 0 JIAARN COc1ccc(OCCN2CCN([C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 ZINC000022786108 524955783 /nfs/dbraw/zinc/95/57/83/524955783.db2.gz DQDJACXFMWZMEX-QFIPXVFZSA-N 0 0 459.590 4.386 50 0 JIAARN Cc1ccc(N2CCN(C(=O)c3cn(C4CC4)cc(C(=O)NC4CCCCCC4)c3=O)CC2)c(C)c1 ZINC000012247290 524960516 /nfs/dbraw/zinc/96/05/16/524960516.db2.gz JHOFHJJWVGPEMG-UHFFFAOYSA-N 0 0 490.648 4.215 50 0 JIAARN Cc1ccc(N2C[C@@H](C(=O)N[C@H](C(=O)N3CCCc4ccccc43)c3ccccc3)CC2=O)cc1 ZINC000065096693 524979482 /nfs/dbraw/zinc/97/94/82/524979482.db2.gz CAXXKVIMJUAJFL-HOFKKMOUSA-N 0 0 467.569 4.185 50 0 JIAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(Cc4nc(-c5ccc(F)cc5)no4)CC3)CC2=O)cc1C ZINC000033299181 524983857 /nfs/dbraw/zinc/98/38/57/524983857.db2.gz FBPQRBVJQBZJJN-OAQYLSRUSA-N 0 0 476.552 4.327 50 0 JIAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4nnc(C5CCCCC5)s4)CC3)CC2=O)cc1 ZINC000009426620 524983958 /nfs/dbraw/zinc/98/39/58/524983958.db2.gz HIDCALDSKUNIFT-HXUWFJFHSA-N 0 0 495.649 4.124 50 0 JIAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4cccc(NC(=O)C(C)C)c4)s3)CC2=O)cc1 ZINC000020367586 524988271 /nfs/dbraw/zinc/98/82/71/524988271.db2.gz YQGGLNSKTVCFOT-QGZVFWFLSA-N 0 0 463.563 4.214 50 0 JIAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000046006642 524989817 /nfs/dbraw/zinc/98/98/17/524989817.db2.gz VLLIGKKOKREFSY-UHFFFAOYSA-N 0 0 487.579 4.466 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(OC(C)C)cc4)no3)CC2)cc1 ZINC000017113581 525020904 /nfs/dbraw/zinc/02/09/04/525020904.db2.gz SOPVFYIBWNMSGW-UHFFFAOYSA-N 0 0 457.552 4.101 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(F)cc4C)ccc32)cc1 ZINC000017011431 525033805 /nfs/dbraw/zinc/03/38/05/525033805.db2.gz CYVLZEAZXMBEAU-UHFFFAOYSA-N 0 0 490.578 4.085 50 0 JIAARN Cc1ccc(NC(=O)CCc2nc(CSc3n[nH]c(-c4ccc(F)cc4)n3)no2)cc1C ZINC000033270968 525040563 /nfs/dbraw/zinc/04/05/63/525040563.db2.gz JQRWNIWZEMVQKU-UHFFFAOYSA-N 0 0 452.515 4.474 50 0 JIAARN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(Cl)cc3)Oc3cc(C)ccc32)cc1 ZINC000064986369 525048230 /nfs/dbraw/zinc/04/82/30/525048230.db2.gz KOEGFKKNAWENME-JOCHJYFZSA-N 0 0 472.950 4.252 50 0 JIAARN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000004122831 525048561 /nfs/dbraw/zinc/04/85/61/525048561.db2.gz HEUVXCQEGVHWQG-UHFFFAOYSA-N 0 0 476.577 4.223 50 0 JIAARN Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036208562 525057136 /nfs/dbraw/zinc/05/71/36/525057136.db2.gz YGDUDUVJPKQAIE-XMMPIXPASA-N 0 0 482.024 4.312 50 0 JIAARN COc1ccc(S(=O)(=O)NCCn2c(-c3ccc(C)cc3)nc3cccnc32)cc1Cl ZINC000033252079 525059771 /nfs/dbraw/zinc/05/97/71/525059771.db2.gz DHVMCOKZKHRART-UHFFFAOYSA-N 0 0 456.955 4.047 50 0 JIAARN Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n2nc(Cc3ccccc3)nc2n1 ZINC000020463732 525082275 /nfs/dbraw/zinc/08/22/75/525082275.db2.gz NSFRXXCCEYZPQL-UHFFFAOYSA-N 0 0 452.484 4.369 50 0 JIAARN Cc1ccc(NC(=O)CSc2nnc([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)o2)cc1 ZINC000021729740 525086231 /nfs/dbraw/zinc/08/62/31/525086231.db2.gz ZDOMMFFENPHUOY-ZDUSSCGKSA-N 0 0 460.918 4.422 50 0 JIAARN COc1ccc(S(=O)(=O)c2cn(Cc3ccc(C)cc3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000002693473 525094077 /nfs/dbraw/zinc/09/40/77/525094077.db2.gz FOOWLEYURWDGEU-UHFFFAOYSA-N 0 0 479.554 4.217 50 0 JIAARN COc1ccc(S(=O)(=O)n2c3ccccc3nc2SCC(=O)Nc2ccccc2OC)cc1 ZINC000009490060 525094893 /nfs/dbraw/zinc/09/48/93/525094893.db2.gz GOZYPDCRIDFRKW-UHFFFAOYSA-N 0 0 483.571 4.021 50 0 JIAARN Cc1ccc(NC(=O)Cn2c(=O)sc3cc(S(=O)(=O)N4CCCCCC4)ccc32)cc1Cl ZINC000085651949 525100767 /nfs/dbraw/zinc/10/07/67/525100767.db2.gz ZRXHQICMBUAVIH-UHFFFAOYSA-N 0 0 494.038 4.228 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3ccccc3c3ncn(Cc4nc(-c5ccccc5)no4)c(=O)c32)cc1 ZINC000033280888 525101291 /nfs/dbraw/zinc/10/12/91/525101291.db2.gz PJNKESYUAYURCS-UHFFFAOYSA-N 0 0 490.523 4.397 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc(CCC(=O)NCc3ccccc3)c2=O)cc1Cl ZINC000033287085 525102479 /nfs/dbraw/zinc/10/24/79/525102479.db2.gz LGIBAWMDNASVLB-UHFFFAOYSA-N 0 0 488.975 4.246 50 0 JIAARN Cc1ccc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)C[C@H](C(C)(C)C)CC5)cc1F ZINC000064946011 525108085 /nfs/dbraw/zinc/10/80/85/525108085.db2.gz FOTRODHMUULMJP-CQSZACIVSA-N 0 0 467.570 4.343 50 0 JIAARN Cc1ccc(NC(=O)N2CCC([C@H](NC(=O)c3ccccc3)C(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC000036213606 525122317 /nfs/dbraw/zinc/12/23/17/525122317.db2.gz LTTXYDPGMMOTCY-BWKNWUBXSA-N 0 0 476.621 4.439 50 0 JIAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1F ZINC000064930776 525127679 /nfs/dbraw/zinc/12/76/79/525127679.db2.gz BWYLTTBZNBNXBF-MRXNPFEDSA-N 0 0 469.498 4.336 50 0 JIAARN Cc1ccc(NC(=O)N2CCN(Cc3nc4cc(C(=O)N5CCCC5)ccc4n3C)CC2)c(Cl)c1 ZINC000033275636 525135177 /nfs/dbraw/zinc/13/51/77/525135177.db2.gz YUSKCFGVJOERKW-UHFFFAOYSA-N 0 0 495.027 4.121 50 0 JIAARN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000008707027 525138258 /nfs/dbraw/zinc/13/82/58/525138258.db2.gz YORHLOYEEJKDBJ-GOEBONIOSA-N 0 0 458.477 4.123 50 0 JIAARN C[C@@H](NC(=O)Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)c1ccc(F)cc1 ZINC000067318690 525141310 /nfs/dbraw/zinc/14/13/10/525141310.db2.gz AZNLPHCZUCZQSG-MRXNPFEDSA-N 0 0 469.476 4.130 50 0 JIAARN Cc1ccccc1CN1CCN(c2cnn(CCOc3ccc(Cl)cc3)c(=O)c2Cl)CC1 ZINC000016737878 525143110 /nfs/dbraw/zinc/14/31/10/525143110.db2.gz WAARXYXQUQQCRS-UHFFFAOYSA-N 0 0 473.404 4.260 50 0 JIAARN Cc1cc(NC(=O)N(C)Cc2nc3cc(C(=O)NC(C)C)ccc3n2C)ccc1Br ZINC000065008582 525170389 /nfs/dbraw/zinc/17/03/89/525170389.db2.gz ARXCZUVGDVCFSK-UHFFFAOYSA-N 0 0 472.387 4.446 50 0 JIAARN COc1ccc([C@@H](CNC(=O)c2nn(-c3ccccc3)nc2C)Cc2ccccc2)cc1OC ZINC000012372682 525186730 /nfs/dbraw/zinc/18/67/30/525186730.db2.gz RJRBUIHNKXFDCS-JOCHJYFZSA-N 0 0 456.546 4.349 50 0 JIAARN Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)N(C)Cc3ccccc3)c(=O)c21 ZINC000008933118 525208770 /nfs/dbraw/zinc/20/87/70/525208770.db2.gz HKHWPRMOAGZNQX-UHFFFAOYSA-N 0 0 450.542 4.367 50 0 JIAARN Cc1ccccc1Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)N3CCCCCC3)cc2)c1=O ZINC000045900168 525209780 /nfs/dbraw/zinc/20/97/80/525209780.db2.gz QDWRUWTYAMSPNL-UHFFFAOYSA-N 0 0 481.596 4.454 50 0 JIAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)c2)C1 ZINC000018255315 525214362 /nfs/dbraw/zinc/21/43/62/525214362.db2.gz JHIMBLMIOZTAPS-PMAPCBKXSA-N 0 0 466.607 4.207 50 0 JIAARN Cc1ccccc1N1CCN(C(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)CC1 ZINC000033048982 525223562 /nfs/dbraw/zinc/22/35/62/525223562.db2.gz CRDQFESEWQXUKE-UHFFFAOYSA-N 0 0 472.976 4.374 50 0 JIAARN Cc1cc(NC(=O)[C@H](OC(=O)Cn2c3ccccc3nc2C(F)(F)F)c2ccccc2)no1 ZINC000016815443 525230216 /nfs/dbraw/zinc/23/02/16/525230216.db2.gz NYKWZSFIDFJLQD-LJQANCHMSA-N 0 0 458.396 4.275 50 0 JIAARN CS(=O)(=O)Oc1ccc(Cl)cc1CN(C[C@@H]1CCCO1)C(=O)c1ccccc1Cl ZINC000044854769 525231244 /nfs/dbraw/zinc/23/12/44/525231244.db2.gz SJOPNKDVZPNIFM-INIZCTEOSA-N 0 0 458.363 4.153 50 0 JIAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(C3CC3)n2C)cc1OC ZINC000009478573 525241281 /nfs/dbraw/zinc/24/12/81/525241281.db2.gz IDTORICRPSHQGP-KRWDZBQOSA-N 0 0 483.619 4.241 50 0 JIAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3C)s2)cc1 ZINC000064940928 525262578 /nfs/dbraw/zinc/26/25/78/525262578.db2.gz AKQTXHYFVQTSPI-SFHVURJKSA-N 0 0 456.593 4.241 50 0 JIAARN Cc1ccccc1NC(=O)c1nnc([C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3C)C2)s1 ZINC000046124110 525266133 /nfs/dbraw/zinc/26/61/33/525266133.db2.gz HMVWKUZURXLYGI-INIZCTEOSA-N 0 0 474.583 4.115 50 0 JIAARN Cc1ccccc1NC(=O)c1nnc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)s1 ZINC000046124053 525267195 /nfs/dbraw/zinc/26/71/95/525267195.db2.gz JFIZUSVRPVGXHM-CQSZACIVSA-N 0 0 495.001 4.460 50 0 JIAARN Cc1ccccc1NS(=O)(=O)c1ccc2ncc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(O)c2c1 ZINC000006181464 525270857 /nfs/dbraw/zinc/27/08/57/525270857.db2.gz XWMSIJUDDRVRAM-ULYRPOKDSA-N 0 0 467.591 4.192 50 0 JIAARN COc1ccc([C@H](C)NC(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)cc1OC ZINC000033311961 525304223 /nfs/dbraw/zinc/30/42/23/525304223.db2.gz ZQAZQNYXICVJGC-SFHVURJKSA-N 0 0 462.550 4.380 50 0 JIAARN C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn21)c1cccc(C(F)(F)F)c1 ZINC000012507305 525307111 /nfs/dbraw/zinc/30/71/11/525307111.db2.gz GAVKLRVDZQNJEA-CYBMUJFWSA-N 0 0 453.424 4.005 50 0 JIAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2ccc(SC(F)F)cc2)C1=O ZINC000002648805 525321980 /nfs/dbraw/zinc/32/19/80/525321980.db2.gz ZPUUGFACBPUIIZ-LJQANCHMSA-N 0 0 484.322 4.170 50 0 JIAARN COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000021709587 525346355 /nfs/dbraw/zinc/34/63/55/525346355.db2.gz YSRZBELPLRZJSN-OFNKIYASSA-N 0 0 467.566 4.138 50 0 JIAARN C[C@@H](NC(=O)c1nn(CCO)c2c1CN(Cc1cnc(-c3ccccc3)s1)CC2)c1ccccc1 ZINC000014748978 525383835 /nfs/dbraw/zinc/38/38/35/525383835.db2.gz RMHXWUBADHWAGX-LJQANCHMSA-N 0 0 487.629 4.048 50 0 JIAARN Cc1ccc(OCC(=O)NC[C@@H]2CCC[C@H](CNC(=O)COc3ccc(C)c(C)c3)C2)cc1C ZINC000020394861 525387607 /nfs/dbraw/zinc/38/76/07/525387607.db2.gz QEAGUPZNRKDYBT-PSWAGMNNSA-N 0 0 466.622 4.417 50 0 JIAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1C ZINC000016145504 525391363 /nfs/dbraw/zinc/39/13/63/525391363.db2.gz PKTOYZYWVNPNGZ-DEOSSOPVSA-N 0 0 478.570 4.260 50 0 JIAARN COc1ccc([C@H]2CC(=O)Oc3c4ccccc4n(-c4ccccc4)c(=O)c32)c(OC)c1OC ZINC000013567776 525405192 /nfs/dbraw/zinc/40/51/92/525405192.db2.gz VUNUJVGQIBCFAU-LJQANCHMSA-N 0 0 457.482 4.458 50 0 JIAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccco2)C2CC2)cc1 ZINC000036119941 525431884 /nfs/dbraw/zinc/43/18/84/525431884.db2.gz QQKHCNJTZARJTH-OAQYLSRUSA-N 0 0 450.560 4.459 50 0 JIAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)NC(C)C)cc1 ZINC000036122871 525433762 /nfs/dbraw/zinc/43/37/62/525433762.db2.gz RSKOUKFTUHNFPN-JTHBVZDNSA-N 0 0 485.650 4.160 50 0 JIAARN Cc1cc(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccc(S(=O)(=O)N3CCCCC3)cc12 ZINC000033087650 525433921 /nfs/dbraw/zinc/43/39/21/525433921.db2.gz CTSQLRAKCVLFJJ-UHFFFAOYSA-N 0 0 499.614 4.177 50 0 JIAARN Cc1[nH]c2ccccc2c1CCNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000012372357 525444500 /nfs/dbraw/zinc/44/45/00/525444500.db2.gz JLPRWPPIUSTCCN-UHFFFAOYSA-N 0 0 466.390 4.196 50 0 biogenic,in-vitro JIAARN Cc1ccc(Oc2ccc(NC(=O)[C@H](CCC(N)=O)NC(=O)OCc3ccccc3)cc2)cc1 ZINC000022617404 525475931 /nfs/dbraw/zinc/47/59/31/525475931.db2.gz DKXXRUCKUMYLOV-QHCPKHFHSA-N 0 0 461.518 4.286 50 0 JIAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000033289100 525480708 /nfs/dbraw/zinc/48/07/08/525480708.db2.gz VVAKAEIWKXIBBH-NRFANRHFSA-N 0 0 473.577 4.269 50 0 JIAARN COc1ccc2c(C)nc(N3CCC[C@@H](C(=O)N4CCC([C@H](O)c5ccccc5)CC4)C3)nc2c1 ZINC000039447336 525496256 /nfs/dbraw/zinc/49/62/56/525496256.db2.gz IKMMSTZPLYZALD-ATIYNZHBSA-N 0 0 474.605 4.135 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)CC(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000014626351 525497933 /nfs/dbraw/zinc/49/79/33/525497933.db2.gz MRAKBQOVSOKLJV-UHFFFAOYSA-N 0 0 479.602 4.148 50 0 JIAARN COc1ccc2c(c1)C(N1CCN(S(=O)(=O)c3ccc(F)cc3)[C@@H](C)C1)=Nc1ccccc1O2 ZINC000034814662 525508535 /nfs/dbraw/zinc/50/85/35/525508535.db2.gz KFVRXJACJHOBLN-KRWDZBQOSA-N 0 0 481.549 4.413 50 0 JIAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)Nc3ccc(N4CCCC4=O)cc3)c(=O)c12 ZINC000009647234 525509050 /nfs/dbraw/zinc/50/90/50/525509050.db2.gz ROIIVHAIAUSNSC-UHFFFAOYSA-N 0 0 458.543 4.199 50 0 JIAARN Cc1c(-c2nc(-c3ccccc3Cl)no2)sc2ncn(CC(=O)NCc3ccco3)c(=O)c12 ZINC000045971879 525510829 /nfs/dbraw/zinc/51/08/29/525510829.db2.gz IUCVVQOPSFYYNG-UHFFFAOYSA-N 0 0 481.921 4.046 50 0 JIAARN C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(S(=O)(=O)N5CCCCCC5)cc4)no3)ccc2O1 ZINC000027792867 525515997 /nfs/dbraw/zinc/51/59/97/525515997.db2.gz SDLVHIGPKYWFTI-QGZVFWFLSA-N 0 0 481.574 4.482 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)cc1 ZINC000046124507 525530859 /nfs/dbraw/zinc/53/08/59/525530859.db2.gz QSXMUNGTUOKZGE-OAHLLOKOSA-N 0 0 477.011 4.321 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)c(C)c1 ZINC000046124063 525534101 /nfs/dbraw/zinc/53/41/01/525534101.db2.gz DMIPHKZUVAWXTG-GOSISDBHSA-N 0 0 470.620 4.284 50 0 JIAARN COc1ccc2c(c1)NC1(CCN(C(=O)CCc3cc(OC)c(OC)c(OC)c3)CC1)c1cccn1-2 ZINC000035399536 525550759 /nfs/dbraw/zinc/55/07/59/525550759.db2.gz MCEAEVUHVJGODW-UHFFFAOYSA-N 0 0 491.588 4.388 50 0 biogenic JIAARN COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)N1CCOc2c(cc(-c3cccs3)cc2OC)C1 ZINC000012279336 525551274 /nfs/dbraw/zinc/55/12/74/525551274.db2.gz LLSYWYVZWBIRTQ-IBGZPJMESA-N 0 0 464.543 4.279 50 0 JIAARN C[C@@H](NCc1nc2c(Br)cc(Br)cc2c(=O)[nH]1)c1ccc2c(c1)OCCO2 ZINC000016047181 525559513 /nfs/dbraw/zinc/55/95/13/525559513.db2.gz YRGLPIUHZBGJAG-SNVBAGLBSA-N 0 0 495.171 4.482 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022785082 525587222 /nfs/dbraw/zinc/58/72/22/525587222.db2.gz WWOWRMWJSXVSIV-PXDATVDWSA-N 0 0 469.676 4.282 50 0 JIAARN COc1ccc2c(c1)c(NC(C)=O)c1n2C[C@@](C)(C(=O)NCCC(C)C)N(C2CCCCC2)C1=O ZINC000021866114 525601757 /nfs/dbraw/zinc/60/17/57/525601757.db2.gz WUIUQHBJIIGWRP-MHZLTWQESA-N 0 0 482.625 4.318 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000012525990 525605941 /nfs/dbraw/zinc/60/59/41/525605941.db2.gz CDOQYGGRCCLQKO-UHFFFAOYSA-N 0 0 454.932 4.389 50 0 JIAARN COc1ccc2cc(CNc3ccc(OC)c(OC)c3)c(=O)n(CC(=O)Nc3ccccc3F)c2c1 ZINC000008594552 525631019 /nfs/dbraw/zinc/63/10/19/525631019.db2.gz HWIINWPSLDCUNP-UHFFFAOYSA-N 0 0 491.519 4.417 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000044974588 525633054 /nfs/dbraw/zinc/63/30/54/525633054.db2.gz UULXDIJJAVIDIZ-UHFFFAOYSA-N 0 0 491.569 4.347 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC[C@H]1CCCO1)N(Cc1cccc(Cl)c1)C3=O ZINC000021859767 525644576 /nfs/dbraw/zinc/64/45/76/525644576.db2.gz YEMMJQPLZSLRDS-RLWLMLJZSA-N 0 0 481.980 4.013 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC[C@H]1CCCO1)N(Cc1ccc(Cl)cc1)C3=O ZINC000021859830 525645798 /nfs/dbraw/zinc/64/57/98/525645798.db2.gz RTWIINJDIFJAGV-QFQXNSOFSA-N 0 0 481.980 4.013 50 0 JIAARN Cc1cc2nc(COC(=O)c3ccc(Cl)c(NC(=O)COc4cc(C)ccc4C)c3)cc(=O)n2o1 ZINC000041077258 525670236 /nfs/dbraw/zinc/67/02/36/525670236.db2.gz FJXPUGNTPCIMQV-UHFFFAOYSA-N 0 0 495.919 4.241 50 0 JIAARN Cc1ccc(Sc2ccc3nn(CC(=O)Nc4ccc(Br)c(C)c4)c(=O)n3n2)cc1 ZINC000049001649 525672845 /nfs/dbraw/zinc/67/28/45/525672845.db2.gz QRIGOMWILAQZFA-UHFFFAOYSA-N 0 0 484.379 4.060 50 0 JIAARN COc1ccc2nc(NC(=O)C3CCN(C(=O)c4ccc(-c5noc(C)n5)cc4)CC3)sc2c1 ZINC000033254400 525673064 /nfs/dbraw/zinc/67/30/64/525673064.db2.gz HDKXPQHMFNPLTA-UHFFFAOYSA-N 0 0 477.546 4.154 50 0 JIAARN COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3ccc(Br)s3)nc2c1 ZINC000022997526 525695723 /nfs/dbraw/zinc/69/57/23/525695723.db2.gz PPSJIXGNBUEIEK-UHFFFAOYSA-N 0 0 496.452 4.498 50 0 JIAARN COc1cccc(-c2cc3c(N4CCC(C(=O)N[C@@H](C)c5ccccc5)CC4)nccn3n2)c1 ZINC000033266713 525708714 /nfs/dbraw/zinc/70/87/14/525708714.db2.gz ZRFYHNKXIHTNLF-IBGZPJMESA-N 0 0 455.562 4.499 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000033302350 525743595 /nfs/dbraw/zinc/74/35/95/525743595.db2.gz PTKIYKMAPGHUAW-UHFFFAOYSA-N 0 0 460.559 4.311 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3n(Cc3nc(-c4ccc(OC(C)C)cc4)no3)c2=O)c1 ZINC000048986350 525744269 /nfs/dbraw/zinc/74/42/69/525744269.db2.gz UJXMWJAKNVQXJM-UHFFFAOYSA-N 0 0 490.541 4.108 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)NCc3ccccc3C)C2)c1 ZINC000033302618 525744607 /nfs/dbraw/zinc/74/46/07/525744607.db2.gz NYMPDZIBQZHEDF-HXUWFJFHSA-N 0 0 488.613 4.297 50 0 JIAARN COc1cccc(-n2c(C)c(C)c3c4nc([C@@H](C)N5C(=O)c6ccccc6C5=O)nn4cnc32)c1 ZINC000021801304 525746241 /nfs/dbraw/zinc/74/62/41/525746241.db2.gz DFNQSEPVRHBBEE-MRXNPFEDSA-N 0 0 466.501 4.051 50 0 JIAARN Cc1ccc(-c2ccc(N3CCN(c4ccc(Cl)cc4)CC3)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000065009133 525754678 /nfs/dbraw/zinc/75/46/78/525754678.db2.gz RPEAPOIYOADPMX-UHFFFAOYSA-N 0 0 498.052 4.217 50 0 JIAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CCc4ccccc4)C(=O)CC(C)C)CC3)nn2)cc1 ZINC000036069717 525754776 /nfs/dbraw/zinc/75/47/76/525754776.db2.gz YDGYEJXJMLXNSA-UHFFFAOYSA-N 0 0 499.659 4.218 50 0 JIAARN COc1cccc(C(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CCOCC2)CC2CC2)c1 ZINC000036249312 525792637 /nfs/dbraw/zinc/79/26/37/525792637.db2.gz UNGGSOQXGDEQEY-UHFFFAOYSA-N 0 0 465.525 4.378 50 0 JIAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000021865481 525803818 /nfs/dbraw/zinc/80/38/18/525803818.db2.gz XLRIREFRRFOESR-NDEPHWFRSA-N 0 0 483.524 4.208 50 0 JIAARN Cc1ccc(-c2nc(C3CCN(C(=O)[C@@H]4CC(=O)N(c5cccc(Cl)c5)C4)CC3)no2)cc1 ZINC000033281812 525805449 /nfs/dbraw/zinc/80/54/49/525805449.db2.gz 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RGRZFDXDGZRCBO-IBGZPJMESA-N 0 0 475.954 4.025 50 0 JIAARN COc1ccc(OC)c(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000647761 553728768 /nfs/dbraw/zinc/72/87/68/553728768.db2.gz KEXAICGGCKUBEB-UHFFFAOYSA-N 0 0 468.575 4.463 50 0 JIAARN CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC ZINC000000650922 553732132 /nfs/dbraw/zinc/73/21/32/553732132.db2.gz WYEKVDFUIGEDOM-UHFFFAOYSA-N 0 0 461.975 4.312 50 0 JIAARN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N1CCCCCC1 ZINC000000656039 553736098 /nfs/dbraw/zinc/73/60/98/553736098.db2.gz URCLIGUFCYDRDS-UHFFFAOYSA-N 0 0 451.386 4.047 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1OC ZINC000000660131 553738830 /nfs/dbraw/zinc/73/88/30/553738830.db2.gz ZEQQTXJYCZYCHF-NDEPHWFRSA-N 0 0 490.625 4.493 50 0 biogenic JIAARN CCOc1cc(C=O)c(Br)c(Br)c1OCC(=O)Nc1ccccc1 ZINC000000668882 553744188 /nfs/dbraw/zinc/74/41/88/553744188.db2.gz JPDKQWAJOUFFEW-UHFFFAOYSA-N 0 0 457.118 4.440 50 0 JIAARN Cn1c2nc(Oc3ccc(C(C)(C)C)cc3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000000669626 553744460 /nfs/dbraw/zinc/74/44/60/553744460.db2.gz NMUWTZHPQKZTGA-UHFFFAOYSA-N 0 0 452.942 4.225 50 0 JIAARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000673628 553746737 /nfs/dbraw/zinc/74/67/37/553746737.db2.gz GAZVRLGDUDCMCO-JOCHJYFZSA-N 0 0 458.474 4.264 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)cc1 ZINC000000674306 553747799 /nfs/dbraw/zinc/74/77/99/553747799.db2.gz UYMVUQNEZXHRLU-UHFFFAOYSA-N 0 0 460.939 4.475 50 0 JIAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000000675511 553749289 /nfs/dbraw/zinc/74/92/89/553749289.db2.gz WILNUVKFFOINFS-UHFFFAOYSA-N 0 0 459.637 4.286 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(F)cc3)cc2)c(C)c1 ZINC000000675595 553749586 /nfs/dbraw/zinc/74/95/86/553749586.db2.gz KGEMFWCXMGPHFZ-UHFFFAOYSA-N 0 0 457.552 4.370 50 0 JIAARN Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)ccc1Cl ZINC000000676880 553750385 /nfs/dbraw/zinc/75/03/85/553750385.db2.gz XBBRFSVQMJSQTP-UHFFFAOYSA-N 0 0 456.951 4.417 50 0 JIAARN COc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000677223 553750944 /nfs/dbraw/zinc/75/09/44/553750944.db2.gz SNRUJESTWXIWBR-UHFFFAOYSA-N 0 0 490.965 4.200 50 0 JIAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000000684334 553755503 /nfs/dbraw/zinc/75/55/03/553755503.db2.gz REJPWGLBEMWESM-QFIPXVFZSA-N 0 0 468.535 4.121 50 0 JIAARN CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000000687670 553757790 /nfs/dbraw/zinc/75/77/90/553757790.db2.gz XVEYCUATFYFBBV-UHFFFAOYSA-N 0 0 456.593 4.249 50 0 JIAARN Cc1cc(=O)c(C(=O)Nc2ccc(Br)cc2)nn1-c1ccc(Br)cc1 ZINC000000701885 553760736 /nfs/dbraw/zinc/76/07/36/553760736.db2.gz HEWUOHKGFVYKME-UHFFFAOYSA-N 0 0 463.129 4.318 50 0 JIAARN COC(=O)c1ccc(/C=C2/N=C(c3cc(I)ccc3Cl)OC2=O)cc1 ZINC000000713425 553767514 /nfs/dbraw/zinc/76/75/14/553767514.db2.gz CGNWFIWNVKFYJJ-OVCLIPMQSA-N 0 0 467.646 4.076 50 0 JIAARN Nn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(Br)cc1 ZINC000000717781 553769538 /nfs/dbraw/zinc/76/95/38/553769538.db2.gz JHXXLYDNTAPXCZ-UHFFFAOYSA-N 0 0 472.290 4.171 50 0 JIAARN CCOc1ccc(CCNC(=O)c2cc3cc(Br)ccc3oc2=O)cc1OCC ZINC000000719193 553770966 /nfs/dbraw/zinc/77/09/66/553770966.db2.gz ABQMJFCTHMQGFZ-UHFFFAOYSA-N 0 0 460.324 4.325 50 0 JIAARN O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1cccc(I)c1 ZINC000000724569 553773514 /nfs/dbraw/zinc/77/35/14/553773514.db2.gz PVUKBAUMSXIJSU-UHFFFAOYSA-N 0 0 450.223 4.437 50 0 JIAARN NC(=O)c1c(N[C@@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000000731989 553775829 /nfs/dbraw/zinc/77/58/29/553775829.db2.gz KDLVJNQKJJJXOY-QGZVFWFLSA-N 0 0 464.777 4.403 50 0 JIAARN O=C(COc1ccc(Br)cc1)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 ZINC000000732041 553775840 /nfs/dbraw/zinc/77/58/40/553775840.db2.gz OVUOARLXRQRGAB-MRXNPFEDSA-N 0 0 493.423 4.316 50 0 JIAARN O=C(Nc1ccccc1Br)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000000789416 553781551 /nfs/dbraw/zinc/78/15/51/553781551.db2.gz BCSASYBPQNJXQP-UHFFFAOYSA-N 0 0 457.777 4.142 50 0 JIAARN CC(=O)c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Br)cc3)c2)c1 ZINC000000797256 553782666 /nfs/dbraw/zinc/78/26/66/553782666.db2.gz LVLRTONXPJCRNE-UHFFFAOYSA-N 0 0 494.388 4.285 50 0 JIAARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000000823572 553787319 /nfs/dbraw/zinc/78/73/19/553787319.db2.gz NANGDBFGRACSQX-SFHVURJKSA-N 0 0 451.317 4.072 50 0 JIAARN Cc1c(N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000000832943 553790970 /nfs/dbraw/zinc/79/09/70/553790970.db2.gz HNKCRSOXDGVYPZ-LJQANCHMSA-N 0 0 453.757 4.023 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)OC)c2ccc(C)cc2)cc1 ZINC000000833363 553791293 /nfs/dbraw/zinc/79/12/93/553791293.db2.gz MWBKCAILPNXWRI-UHFFFAOYSA-N 0 0 482.558 4.014 50 0 JIAARN CC(=O)Nc1ccc(NC(=S)N[C@@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1 ZINC000000836751 553792064 /nfs/dbraw/zinc/79/20/64/553792064.db2.gz GRLPTCUOQVXKKD-QGZVFWFLSA-N 0 0 473.813 4.366 50 0 JIAARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccc(F)cc2)C(Cl)(Cl)Cl)cc1OC ZINC000000836993 553792281 /nfs/dbraw/zinc/79/22/81/553792281.db2.gz BSQOHXFECLDBIU-INIZCTEOSA-N 0 0 480.776 4.256 50 0 JIAARN CCOC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CCN(C(=O)OCC)C2 ZINC000000837684 553792645 /nfs/dbraw/zinc/79/26/45/553792645.db2.gz COBGSJOMQWFDRC-UHFFFAOYSA-N 0 0 481.368 4.454 50 0 JIAARN CCOc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000840671 553793458 /nfs/dbraw/zinc/79/34/58/553793458.db2.gz LOBNQNHKAXZYMX-UHFFFAOYSA-N 0 0 481.412 4.056 50 0 JIAARN COC(=O)c1c2c(sc1NC(=O)Cn1nc(C(F)(F)F)c(Br)c1C)CCCC2 ZINC000000845148 553795428 /nfs/dbraw/zinc/79/54/28/553795428.db2.gz ZTHQERKOHFCJRC-UHFFFAOYSA-N 0 0 480.306 4.338 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4cccnc4)c(Cl)c3n2)cc1 ZINC000000848551 553797227 /nfs/dbraw/zinc/79/72/27/553797227.db2.gz YCEAOFPNIVBOHO-UHFFFAOYSA-N 0 0 461.831 4.402 50 0 JIAARN CN(C[C@@H](COc1ccccc1)OC(=O)c1ccccc1Cl)C1=NS(=O)(=O)c2ccccc21 ZINC000000850025 553798058 /nfs/dbraw/zinc/79/80/58/553798058.db2.gz WKNRGDRIHRKEBD-SFHVURJKSA-N 0 0 484.961 4.025 50 0 JIAARN COc1ccccc1CNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000000853224 553799120 /nfs/dbraw/zinc/79/91/20/553799120.db2.gz JTJGCZMSKSQOPU-UHFFFAOYSA-N 0 0 458.967 4.245 50 0 JIAARN COc1ccc(Cn2c(SCC(N)=O)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000000857338 553800880 /nfs/dbraw/zinc/80/08/80/553800880.db2.gz CGEKFCKCCIKCFD-UHFFFAOYSA-N 0 0 475.614 4.303 50 0 JIAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCCC4)c(Cl)c3N2)cc1OC ZINC000000867125 553807172 /nfs/dbraw/zinc/80/71/72/553807172.db2.gz HBWUGFIMWDRMMN-DOMZBBRYSA-N 0 0 458.868 4.450 50 0 JIAARN CCC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2cccc3ccccc32)CCCCC1 ZINC000000869177 553807987 /nfs/dbraw/zinc/80/79/87/553807987.db2.gz QPKRYNJYPFWAGG-UHFFFAOYSA-N 0 0 450.543 4.103 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)c2ccccc2Cl)cc1 ZINC000000878937 553815027 /nfs/dbraw/zinc/81/50/27/553815027.db2.gz NZOZEDVFTAUYIW-UHFFFAOYSA-N 0 0 454.979 4.429 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCc1ccc2c(c1)OCO2 ZINC000000912349 553841868 /nfs/dbraw/zinc/84/18/68/553841868.db2.gz UYPXPWGMMJOKSZ-UHFFFAOYSA-N 0 0 456.527 4.343 50 0 JIAARN NC(=O)c1c2c(sc1NC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N3)CCCC2 ZINC000000919728 553851285 /nfs/dbraw/zinc/85/12/85/553851285.db2.gz USYUAOFZCZJSKC-XHDPSFHLSA-N 0 0 479.484 4.428 50 0 JIAARN Cc1c(C(=O)OCc2ccccc2)sc2ncn(CC(=O)N3CCCc4ccccc43)c(=O)c12 ZINC000000936970 553874207 /nfs/dbraw/zinc/87/42/07/553874207.db2.gz XRTQQUFAHOTXQW-UHFFFAOYSA-N 0 0 473.554 4.103 50 0 JIAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Oc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000000941341 553876985 /nfs/dbraw/zinc/87/69/85/553876985.db2.gz SMNNXDVKUWPFIR-KRWDZBQOSA-N 0 0 451.475 4.471 50 0 JIAARN COc1ccc2nc(NC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)sc2c1 ZINC000000951196 553881589 /nfs/dbraw/zinc/88/15/89/553881589.db2.gz KLTIDVNQAUGWLT-FQEVSTJZSA-N 0 0 457.511 4.151 50 0 JIAARN C[C@@H]1CCc2c(sc3ncn(CCn4cnc5sc6c(c5c4=O)CC[C@@H](C)C6)c(=O)c23)C1 ZINC000000952598 553882142 /nfs/dbraw/zinc/88/21/42/553882142.db2.gz SUSMDNMMGSRBPP-ZIAGYGMSSA-N 0 0 466.632 4.179 50 0 JIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000000955159 553883215 /nfs/dbraw/zinc/88/32/15/553883215.db2.gz DRKSBBHBAZIIBI-LLVKDONJSA-N 0 0 459.593 4.077 50 0 JIAARN COc1cc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Br)c(OC)c1OC ZINC000000955511 553883249 /nfs/dbraw/zinc/88/32/49/553883249.db2.gz SYZNJHMDRQZRRH-UHFFFAOYSA-N 0 0 492.244 4.289 50 0 JIAARN COC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cc(Br)ccc1OCc1ccccc1 ZINC000000959035 553885084 /nfs/dbraw/zinc/88/50/84/553885084.db2.gz DIEDCLGSAULADL-IBGZPJMESA-N 0 0 455.312 4.082 50 0 JIAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)Nc2cccc(OC)c2)C(C)C)cc1 ZINC000000970835 553887194 /nfs/dbraw/zinc/88/71/94/553887194.db2.gz ASQHVDISUHLTGW-DEOSSOPVSA-N 0 0 475.545 4.349 50 0 JIAARN COc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC ZINC000000972112 553887845 /nfs/dbraw/zinc/88/78/45/553887845.db2.gz QVBYTEWXDCUASL-UHFFFAOYSA-N 0 0 460.939 4.191 50 0 JIAARN O=C(N[C@@H](n1cnc2c1ncnc2N1CCCCC1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000000973819 553888040 /nfs/dbraw/zinc/88/80/40/553888040.db2.gz DPQJNYCYDRRRRA-SFHVURJKSA-N 0 0 453.761 4.115 50 0 biogenic JIAARN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)o2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000000981346 553891255 /nfs/dbraw/zinc/89/12/55/553891255.db2.gz OIXVJPOMRHSKKD-HAVVHWLPSA-N 0 0 473.554 4.332 50 0 JIAARN CCOC(=O)c1oc2cc(OC(=O)c3ccco3)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000001099114 553907334 /nfs/dbraw/zinc/90/73/34/553907334.db2.gz NYGYUGCGMDJUAK-UHFFFAOYSA-N 0 0 462.410 4.220 50 0 biogenic JIAARN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)N(C)C1=S ZINC000001112919 553910124 /nfs/dbraw/zinc/91/01/24/553910124.db2.gz HLPSXBMLXATKLN-BOPFTXTBSA-N 0 0 461.381 4.456 50 0 JIAARN O=C(Nc1cccc(NC(=S)NC(=O)c2cccc(I)c2)c1)c1ccco1 ZINC000001169748 553921846 /nfs/dbraw/zinc/92/18/46/553921846.db2.gz YHIRJRWMNKUQPA-UHFFFAOYSA-N 0 0 491.310 4.263 50 0 JIAARN COC(=O)c1ccccc1NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000001181870 553929428 /nfs/dbraw/zinc/92/94/28/553929428.db2.gz QVCKQYDQWAQOAS-UHFFFAOYSA-N 0 0 466.559 4.309 50 0 JIAARN CCCCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1OC ZINC000001914730 554003231 /nfs/dbraw/zinc/00/32/31/554003231.db2.gz LMUQFOUOKXKNKW-QHCPKHFHSA-N 0 0 478.553 4.187 50 0 JIAARN CCc1c(C)sc(N[C@](NC(=O)c2ccc(Cl)cc2)(C(=O)OC)C(F)(F)F)c1C(=O)OC ZINC000002050165 554010430 /nfs/dbraw/zinc/01/04/30/554010430.db2.gz SKPUIXQXNLKBLH-LJQANCHMSA-N 0 0 492.903 4.332 50 0 JIAARN Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2)cc1 ZINC000002092069 554035216 /nfs/dbraw/zinc/03/52/16/554035216.db2.gz CAZHHFAQOMZSKE-UHFFFAOYSA-N 0 0 457.548 4.163 50 0 biogenic JIAARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1C ZINC000002094266 554038237 /nfs/dbraw/zinc/03/82/37/554038237.db2.gz SYLFMCPPXNXABU-NYHFZMIOSA-N 0 0 457.548 4.017 50 0 JIAARN COc1ccc(CN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3ccccc3)C2=O)cc1 ZINC000002094632 554038782 /nfs/dbraw/zinc/03/87/82/554038782.db2.gz ZMWIDXDOAPKXDY-IGKIAQTJSA-N 0 0 451.526 4.062 50 0 biogenic JIAARN CCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)c(OC)c2)C1=O ZINC000002099261 554042002 /nfs/dbraw/zinc/04/20/02/554042002.db2.gz OKQNFQFFQWGQMG-LVXARBLLSA-N 0 0 461.562 4.060 50 0 biogenic JIAARN CCCCOCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(OC)c2)C1=O ZINC000002103452 554043801 /nfs/dbraw/zinc/04/38/01/554043801.db2.gz VGPIVLDQXQIIHC-IGKIAQTJSA-N 0 0 475.589 4.068 50 0 biogenic JIAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3ccccc3)CC(=O)N21 ZINC000002111434 554050344 /nfs/dbraw/zinc/05/03/44/554050344.db2.gz DNCAGAMIBRLDMV-CUBQBAPOSA-N 0 0 465.553 4.104 50 0 biogenic JIAARN CCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)ccc12 ZINC000002124859 554058003 /nfs/dbraw/zinc/05/80/03/554058003.db2.gz VRSHCJKGPJWCRC-NRFANRHFSA-N 0 0 477.966 4.226 50 0 biogenic JIAARN Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 ZINC000002136750 554062070 /nfs/dbraw/zinc/06/20/70/554062070.db2.gz IKGHSLKPWOYBCG-SFQUDFHCSA-N 0 0 465.600 4.347 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Oc2ccc3c(C)cc(=O)oc3c2C)cc1 ZINC000002152143 554070434 /nfs/dbraw/zinc/07/04/34/554070434.db2.gz WYIKKVDJBCPRDK-HSZRJFAPSA-N 0 0 491.565 4.213 50 0 JIAARN CC[C@@H](C)NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002178369 554078562 /nfs/dbraw/zinc/07/85/62/554078562.db2.gz SLSCAFMQERNKEQ-CQSZACIVSA-N 0 0 473.820 4.208 50 0 JIAARN CC(=O)Nc1ccc(-c2nnc(SCC(=O)n3c4c(c5c3CCCC5)CCCC4)n2C)cc1 ZINC000002202028 554091316 /nfs/dbraw/zinc/09/13/16/554091316.db2.gz WIEJPDCLPVPEJP-UHFFFAOYSA-N 0 0 463.607 4.432 50 0 JIAARN Cc1cc2oc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)cc(=O)c2cc1Cl ZINC000002223365 554102209 /nfs/dbraw/zinc/10/22/09/554102209.db2.gz YWXQHDXWCYYSII-CYBMUJFWSA-N 0 0 486.977 4.466 50 0 JIAARN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1ccc2c(c1)OCCO2 ZINC000002227395 554103774 /nfs/dbraw/zinc/10/37/74/554103774.db2.gz AQNIEKFTZKCKJE-WZQKQDCOSA-N 0 0 480.586 4.422 50 0 JIAARN Nc1c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2 ZINC000002250074 554114401 /nfs/dbraw/zinc/11/44/01/554114401.db2.gz HBTJEPPBFHFMEX-UHFFFAOYSA-N 0 0 471.904 4.468 50 0 JIAARN COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1OC ZINC000002254371 554117757 /nfs/dbraw/zinc/11/77/57/554117757.db2.gz MSZDILIAOWAXSH-YCRPNKLZSA-N 0 0 452.532 4.096 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000002259066 554120726 /nfs/dbraw/zinc/12/07/26/554120726.db2.gz CSGIXBBQAPHAOV-JKALPCAWSA-N 0 0 473.381 4.105 50 0 JIAARN CN1Cc2c(c3c(N)c(C(=O)c4ccc(Cl)cc4)sc3nc2N2CCOCC2)CC1(C)C ZINC000002259900 554121288 /nfs/dbraw/zinc/12/12/88/554121288.db2.gz OLHXTMKWKKGYNU-UHFFFAOYSA-N 0 0 471.026 4.366 50 0 JIAARN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(OC)c(Br)c4)cc3n2)cc1 ZINC000002271489 554127218 /nfs/dbraw/zinc/12/72/18/554127218.db2.gz FLHZPJPFKHFFBM-UHFFFAOYSA-N 0 0 453.296 4.453 50 0 JIAARN CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000002272102 554127612 /nfs/dbraw/zinc/12/76/12/554127612.db2.gz MBDUISGPCXSUOV-QGZVFWFLSA-N 0 0 450.335 4.249 50 0 JIAARN CCOC(=O)[C@@](O)(c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1)C(F)(F)F ZINC000002282758 554131760 /nfs/dbraw/zinc/13/17/60/554131760.db2.gz UIEPLLCXKLWRMO-SFHVURJKSA-N 0 0 495.306 4.433 50 0 JIAARN COc1ccc(CCn2c(N)c(C(=O)NCc3ccc4c(c3)OCO4)c3nc4ccccc4nc32)cc1 ZINC000002299037 554138673 /nfs/dbraw/zinc/13/86/73/554138673.db2.gz RMPGFROZKNTJBX-UHFFFAOYSA-N 0 0 495.539 4.077 50 0 JIAARN CCCCc1cc(=O)oc2cc(OC(=O)CCNS(=O)(=O)c3ccc(C)cc3)c(Cl)cc12 ZINC000002334930 554153469 /nfs/dbraw/zinc/15/34/69/554153469.db2.gz RGUBQTQLGNIODX-UHFFFAOYSA-N 0 0 477.966 4.371 50 0 JIAARN CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2sc3c(c2c1=O)CCCC3 ZINC000002352027 554161867 /nfs/dbraw/zinc/16/18/67/554161867.db2.gz JVEKRSJYNYYFAI-UHFFFAOYSA-N 0 0 459.593 4.105 50 0 JIAARN CCCOc1ccc(/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1OCC ZINC000002371341 554170689 /nfs/dbraw/zinc/17/06/89/554170689.db2.gz MKSJVOLJENDBFZ-UYRXBGFRSA-N 0 0 486.391 4.316 50 0 JIAARN CC[C@]1(C)Cc2c(sc3nc(SCC(=O)Nc4ccc(OC)cc4OC)nc(N)c23)CO1 ZINC000002391419 554179599 /nfs/dbraw/zinc/17/95/99/554179599.db2.gz KUQWDPPIOOOEPC-JOCHJYFZSA-N 0 0 474.608 4.263 50 0 JIAARN O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000002396907 554183297 /nfs/dbraw/zinc/18/32/97/554183297.db2.gz IRQILFRINSDWHS-HMAPJEAMSA-N 0 0 483.503 4.497 50 0 JIAARN CCCSc1nc2sc3c(c2c2nnc(SCC(=O)OC)n21)C[C@@](C)(CC)OC3 ZINC000002399329 554184689 /nfs/dbraw/zinc/18/46/89/554184689.db2.gz ZYIAKQPQXRVCDD-LJQANCHMSA-N 0 0 452.627 4.348 50 0 JIAARN COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C(C)c5cc(C)ccc5N4[C@H](C(=O)C(C)(C)C)[C@H]3C2=O)cc1 ZINC000002406233 554188759 /nfs/dbraw/zinc/18/87/59/554188759.db2.gz CJMQYTKMFGVVKA-ZJZGAYNASA-N 0 0 458.558 4.399 50 0 JIAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000002409346 554190680 /nfs/dbraw/zinc/19/06/80/554190680.db2.gz ZUMFDECYSXWJGV-WEVVVXLNSA-N 0 0 459.296 4.386 50 0 JIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000002415679 554194737 /nfs/dbraw/zinc/19/47/37/554194737.db2.gz UUJUQQKZUIOFRD-KRWDZBQOSA-N 0 0 467.890 4.143 50 0 JIAARN COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc(OC)c1OC ZINC000002426718 554202011 /nfs/dbraw/zinc/20/20/11/554202011.db2.gz XTNAPEZHWYXKMD-QVKFZJNVSA-N 0 0 485.920 4.196 50 0 JIAARN COc1ccc(-n2c(N)c(C(=O)OC[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1Cl ZINC000002434870 554207105 /nfs/dbraw/zinc/20/71/05/554207105.db2.gz BIUHAERWMUWPIN-AWEZNQCLSA-N 0 0 452.898 4.154 50 0 JIAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2Cc2ccco2)c1 ZINC000002454159 554221497 /nfs/dbraw/zinc/22/14/97/554221497.db2.gz PHDRDETVMXHJEH-UHFFFAOYSA-N 0 0 477.546 4.284 50 0 JIAARN O=C(c1ccc2c(c1)OCO2)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000002456528 554222207 /nfs/dbraw/zinc/22/22/07/554222207.db2.gz LTPWKIUJFVDKCN-JOCHJYFZSA-N 0 0 465.303 4.362 50 0 JIAARN COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SCCC(=O)N32)cc(OC)c1OC ZINC000002486118 554226426 /nfs/dbraw/zinc/22/64/26/554226426.db2.gz OJQKVWVYCUDAKN-QFIPXVFZSA-N 0 0 482.558 4.106 50 0 JIAARN COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SCCC(=O)N32)ccc1OC(C)=O ZINC000002508867 554231545 /nfs/dbraw/zinc/23/15/45/554231545.db2.gz UUXNBZNLYVYDOS-QHCPKHFHSA-N 0 0 480.542 4.014 50 0 JIAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc2c(c1)OCCO2)Nc1ccccc1 ZINC000002544609 554234616 /nfs/dbraw/zinc/23/46/16/554234616.db2.gz ASPHQYGXFLIJFX-UHFFFAOYSA-N 0 0 458.543 4.360 50 0 JIAARN Cc1ccc(Cn2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3ccccc3c2=O)cc1 ZINC000002618627 554242982 /nfs/dbraw/zinc/24/29/82/554242982.db2.gz LDUCAJPYIYBXFS-UHFFFAOYSA-N 0 0 459.527 4.213 50 0 JIAARN O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000002618679 554242986 /nfs/dbraw/zinc/24/29/86/554242986.db2.gz HNKFKYFVIAQNKJ-UHFFFAOYSA-N 0 0 475.954 4.312 50 0 JIAARN CCOc1ccc(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)cc1 ZINC000002619489 554244273 /nfs/dbraw/zinc/24/42/73/554244273.db2.gz JPWXUZHCHFYZPH-UHFFFAOYSA-N 0 0 487.603 4.285 50 0 JIAARN Cc1ccc(OCc2nc(SCc3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)n[nH]2)cc1 ZINC000002620669 554245431 /nfs/dbraw/zinc/24/54/31/554245431.db2.gz YVSHAESGJPNSKL-CYBMUJFWSA-N 0 0 453.593 4.407 50 0 JIAARN COc1cc2c(cc1NC(=O)CN1C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C1=O)oc1ccccc12 ZINC000002622816 554246892 /nfs/dbraw/zinc/24/68/92/554246892.db2.gz UVDJCMKKFZWLPW-NRFANRHFSA-N 0 0 482.496 4.178 50 0 JIAARN COc1ccc(C)cc1-n1c(=O)c2c(C)c(C)sc2nc1SCC(=O)NCc1ccco1 ZINC000002623269 554247397 /nfs/dbraw/zinc/24/73/97/554247397.db2.gz CIIXPXWZJDZTEQ-UHFFFAOYSA-N 0 0 469.588 4.383 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCC1 ZINC000002624594 554248445 /nfs/dbraw/zinc/24/84/45/554248445.db2.gz SODVWFNFICZCKP-UHFFFAOYSA-N 0 0 462.877 4.404 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)N1CC(=O)Nc2ccccc21 ZINC000002627632 554250974 /nfs/dbraw/zinc/25/09/74/554250974.db2.gz NWNDHVOGURDQHF-UHFFFAOYSA-N 0 0 459.506 4.151 50 0 JIAARN COCCn1c(C)cc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)c1C ZINC000002633928 554255059 /nfs/dbraw/zinc/25/50/59/554255059.db2.gz UKWWYVDXFGQRBF-UHFFFAOYSA-N 0 0 488.540 4.208 50 0 JIAARN COc1ccc(CCNC(=O)COc2ncnc3scc(-c4ccc(F)cc4)c32)cc1OC ZINC000002637553 554257857 /nfs/dbraw/zinc/25/78/57/554257857.db2.gz QRRHCJWHFWAYEZ-UHFFFAOYSA-N 0 0 467.522 4.252 50 0 JIAARN COc1ccccc1CNC(=O)COC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 ZINC000002642499 554261204 /nfs/dbraw/zinc/26/12/04/554261204.db2.gz HGLDOCPEKIUTSJ-UHFFFAOYSA-N 0 0 453.495 4.016 50 0 JIAARN Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1Cc1ccco1 ZINC000002645759 554263257 /nfs/dbraw/zinc/26/32/57/554263257.db2.gz ABZLIEMBEPQISP-UHFFFAOYSA-N 0 0 463.317 4.209 50 0 aggregator JIAARN Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)n2C)c1 ZINC000002651253 554267237 /nfs/dbraw/zinc/26/72/37/554267237.db2.gz YBMVDSCWSMDYGS-UHFFFAOYSA-N 0 0 491.539 4.377 50 0 JIAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nc4c(s3)CCCC4)c2)cc1 ZINC000002653192 554269215 /nfs/dbraw/zinc/26/92/15/554269215.db2.gz SDUXWFPRXRHNQZ-UHFFFAOYSA-N 0 0 457.577 4.108 50 0 JIAARN COc1ccccc1CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000002655301 554271132 /nfs/dbraw/zinc/27/11/32/554271132.db2.gz LCZDHWAGWMPCKK-HSZRJFAPSA-N 0 0 498.004 4.036 50 0 JIAARN CC(C)Cn1c(N)c(-c2nc(-c3ccccc3Cl)c(C(=O)C(C)(C)C)s2)c(=O)n(C)c1=O ZINC000002659386 554273510 /nfs/dbraw/zinc/27/35/10/554273510.db2.gz IYYMLWAAVHGKRV-UHFFFAOYSA-N 0 0 475.014 4.458 50 0 JIAARN Cc1ccc(NC(=O)C[C@H]2Nc3ccccc3N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1 ZINC000002686955 554283145 /nfs/dbraw/zinc/28/31/45/554283145.db2.gz KESYTGOQYDFOIU-JOCHJYFZSA-N 0 0 456.546 4.406 50 0 JIAARN COc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(OC)c(OC)cc32)c1 ZINC000002690741 554286010 /nfs/dbraw/zinc/28/60/10/554286010.db2.gz DQIHQQQYKSPMCI-UHFFFAOYSA-N 0 0 486.524 4.205 50 0 JIAARN COc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc(Cl)ccc32)cc1 ZINC000002690978 554286201 /nfs/dbraw/zinc/28/62/01/554286201.db2.gz WVJAVVVHYZNTEK-UHFFFAOYSA-N 0 0 482.945 4.135 50 0 JIAARN COc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3cc(C)ccc32)c1 ZINC000002691007 554286459 /nfs/dbraw/zinc/28/64/59/554286459.db2.gz MURQDHCTGPQIBR-UHFFFAOYSA-N 0 0 496.972 4.443 50 0 JIAARN Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)C)cc3)c(O)n2)cc1 ZINC000002692120 554288287 /nfs/dbraw/zinc/28/82/87/554288287.db2.gz CDVIZKVVKHNJEP-UHFFFAOYSA-N 0 0 457.577 4.178 50 0 JIAARN Cc1cc(C)cc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)C)cc3)c(O)n2)c1 ZINC000002693099 554289434 /nfs/dbraw/zinc/28/94/34/554289434.db2.gz CDLDZCRAPKOKFV-UHFFFAOYSA-N 0 0 471.604 4.486 50 0 JIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000002700553 554294055 /nfs/dbraw/zinc/29/40/55/554294055.db2.gz RNVPMKLXHYYUEE-UHFFFAOYSA-N 0 0 464.609 4.277 50 0 JIAARN COc1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2F)C3=O)c(OC)c1 ZINC000002716514 554302247 /nfs/dbraw/zinc/30/22/47/554302247.db2.gz SAIJHQFRWULGDD-UHFFFAOYSA-N 0 0 464.493 4.059 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2F)C3=O)cc1 ZINC000002716505 554302336 /nfs/dbraw/zinc/30/23/36/554302336.db2.gz XZFQHIUVILFCMO-UHFFFAOYSA-N 0 0 476.504 4.218 50 0 JIAARN Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)[nH]c3=O)cc1C ZINC000002718018 554303127 /nfs/dbraw/zinc/30/31/27/554303127.db2.gz VHWBLXYTNUQPFY-UHFFFAOYSA-N 0 0 489.479 4.355 50 0 JIAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000002723449 554309132 /nfs/dbraw/zinc/30/91/32/554309132.db2.gz CCMCCVBGKOGEKC-UHFFFAOYSA-N 0 0 480.521 4.339 50 0 JIAARN COc1cc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000002724831 554311459 /nfs/dbraw/zinc/31/14/59/554311459.db2.gz JVYNNTYOYOWHFB-HSZRJFAPSA-N 0 0 468.456 4.175 50 0 JIAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2)c1cc(Br)ccc1Cl ZINC000002725049 554311484 /nfs/dbraw/zinc/31/14/84/554311484.db2.gz AEKMFNVQUGEFLF-MHZLTWQESA-N 0 0 468.735 4.442 50 0 JIAARN CCc1c(C)sc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)c1C(=O)OC(C)C ZINC000002746969 554324631 /nfs/dbraw/zinc/32/46/31/554324631.db2.gz GQNWOSCIPCXCDC-UHFFFAOYSA-N 0 0 479.407 4.391 50 0 JIAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000002758631 554330252 /nfs/dbraw/zinc/33/02/52/554330252.db2.gz XXZPDMDINKUTPT-CVGPFBNFSA-N 0 0 490.968 4.322 50 0 JIAARN CCOC(=O)C1=CN(C(C)C)C=C(C(=O)OCC)C1c1cc(Br)c(OC)c(OC)c1 ZINC000002797065 554351039 /nfs/dbraw/zinc/35/10/39/554351039.db2.gz NARHLLOSHADEBS-UHFFFAOYSA-N 0 0 482.371 4.168 50 0 JIAARN Cc1cc(OCn2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)n2)cc(C)c1Cl ZINC000002798111 554351585 /nfs/dbraw/zinc/35/15/85/554351585.db2.gz QKHFOLQBKPQUPG-UHFFFAOYSA-N 0 0 458.971 4.481 50 0 JIAARN COc1ccc(-c2nc3c4cnn(C)c4ncn3n2)cc1COc1ccc(Br)cc1 ZINC000002800603 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MIMYCQKNHUUJII-HSZRJFAPSA-N 0 0 451.567 4.152 50 0 JIAARN Cc1c(C)c2c(OCC(=O)Nc3ccc(CCO)cc3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000008791408 554684493 /nfs/dbraw/zinc/68/44/93/554684493.db2.gz YFHLACAPZOTDLD-UHFFFAOYSA-N 0 0 451.519 4.066 50 0 biogenic JIAARN O=C(COC(=O)c1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1)NCCc1ccccc1 ZINC000008805990 554687555 /nfs/dbraw/zinc/68/75/55/554687555.db2.gz YTDBKNMGSAGAAQ-UHFFFAOYSA-N 0 0 478.504 4.156 50 0 JIAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCSC1CCCCC1 ZINC000008829934 554719910 /nfs/dbraw/zinc/71/99/10/554719910.db2.gz DTKYAZNJYRKLRF-UHFFFAOYSA-N 0 0 450.601 4.203 50 0 JIAARN O=C(/C=C/c1ccccc1)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000008833995 554731757 /nfs/dbraw/zinc/73/17/57/554731757.db2.gz LYTBZGAJDUHEJQ-QQDPUAARSA-N 0 0 457.526 4.452 50 0 biogenic JIAARN COc1cccc(-c2c(=O)c3ccccc3oc2NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000008844399 554741363 /nfs/dbraw/zinc/74/13/63/554741363.db2.gz WNTXJLHNBIPEGQ-UHFFFAOYSA-N 0 0 487.531 4.368 50 0 JIAARN COCCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1ccc(O)c(OC)c1 ZINC000008845402 554742628 /nfs/dbraw/zinc/74/26/28/554742628.db2.gz VXWQEDLKARNINE-QFIPXVFZSA-N 0 0 457.914 4.040 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(F)cc3)cs2)c1 ZINC000008850110 554747358 /nfs/dbraw/zinc/74/73/58/554747358.db2.gz RKJDVLQBQCJQOP-UHFFFAOYSA-N 0 0 458.540 4.153 50 0 JIAARN Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000008868673 554762360 /nfs/dbraw/zinc/76/23/60/554762360.db2.gz YWHQYSQWZGKJOE-SFHVURJKSA-N 0 0 486.815 4.006 50 0 JIAARN CC(C)c1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008869630 554763250 /nfs/dbraw/zinc/76/32/50/554763250.db2.gz UECBCNAJIFPUER-IBGZPJMESA-N 0 0 473.978 4.399 50 0 JIAARN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)N2CCCC2)cc1 ZINC000008869534 554763271 /nfs/dbraw/zinc/76/32/71/554763271.db2.gz PGHQHCGCYQAWKR-RTBURBONSA-N 0 0 469.607 4.127 50 0 JIAARN COc1cc(CN(C[C@@H]2CCCO2)C(=O)COc2ccc(Cl)cc2C)cc(OC)c1OC ZINC000008869906 554764150 /nfs/dbraw/zinc/76/41/50/554764150.db2.gz WRKKGRQAGANTNW-IBGZPJMESA-N 0 0 463.958 4.261 50 0 JIAARN COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1O ZINC000008872639 554769245 /nfs/dbraw/zinc/76/92/45/554769245.db2.gz QKKPHHPWCDCMJN-UHFFFAOYSA-N 0 0 472.465 4.427 50 0 JIAARN CC(C)[C@H](NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000008881148 554776288 /nfs/dbraw/zinc/77/62/88/554776288.db2.gz GLYDACRMUKQJMM-SANMLTNESA-N 0 0 465.594 4.012 50 0 JIAARN O=C(CSc1nnc(-c2cccnc2)n1C1CC1)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000008893151 554781664 /nfs/dbraw/zinc/78/16/64/554781664.db2.gz XJLRWDCDPFWDHG-UHFFFAOYSA-N 0 0 462.482 4.433 50 0 JIAARN COc1ccccc1-c1nnc(SCC(=O)Nc2sccc2C(N)=O)n1CCc1ccccc1 ZINC000008896361 554785830 /nfs/dbraw/zinc/78/58/30/554785830.db2.gz AXYLAVKCQOSXAQ-UHFFFAOYSA-N 0 0 493.614 4.088 50 0 JIAARN CCSc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)s1 ZINC000008902909 554796799 /nfs/dbraw/zinc/79/67/99/554796799.db2.gz RDIYLZNMNATNEI-UHFFFAOYSA-N 0 0 464.001 4.163 50 0 JIAARN CCc1ccc2oc(C(=O)N(Cc3ccc(C(C)(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000008917657 554813071 /nfs/dbraw/zinc/81/30/71/554813071.db2.gz OHWSWVASYSSUAZ-OAQYLSRUSA-N 0 0 481.614 4.482 50 0 JIAARN COc1ccc(COc2ccc3c(C)c(CC(=O)N4CC[C@@]5(O)CCCC[C@H]5C4)c(=O)oc3c2)cc1 ZINC000008918049 554813999 /nfs/dbraw/zinc/81/39/99/554813999.db2.gz AKZQULGYZCMNOE-LGGPFLRQSA-N 0 0 491.584 4.385 50 0 biogenic JIAARN CCCCCNC(=O)c1ccccc1N1C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@]2(C)C1=O ZINC000008918131 554814146 /nfs/dbraw/zinc/81/41/46/554814146.db2.gz WYNVYIRBNOAMKT-MHZLTWQESA-N 0 0 474.561 4.337 50 0 biogenic JIAARN CCOC(=O)N1CCc2c(sc(NC(=O)CN3CCC(C)CC3)c2C(=O)Nc2ccccc2C)C1 ZINC000008918707 554815522 /nfs/dbraw/zinc/81/55/22/554815522.db2.gz JUYGULWKQOHIHI-UHFFFAOYSA-N 0 0 498.649 4.494 50 0 JIAARN O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000008918729 554815535 /nfs/dbraw/zinc/81/55/35/554815535.db2.gz WPGVHSIUMUMPKC-UHFFFAOYSA-N 0 0 491.997 4.342 50 0 JIAARN CCCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(OC)cc2OC)C1=O ZINC000008920292 554817264 /nfs/dbraw/zinc/81/72/64/554817264.db2.gz AAGMCJGBFIGVNF-QFIPXVFZSA-N 0 0 462.340 4.074 50 0 JIAARN C[C@H](CNC(=O)Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)c1ccccc1 ZINC000008933372 554827370 /nfs/dbraw/zinc/82/73/70/554827370.db2.gz VJDMYTDSGFEYRS-LJQANCHMSA-N 0 0 468.532 4.459 50 0 JIAARN CN(Cc1nc2ccccc2s1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000008940190 554831803 /nfs/dbraw/zinc/83/18/03/554831803.db2.gz VZMQNTZRGYEWDI-UHFFFAOYSA-N 0 0 494.436 4.116 50 0 JIAARN C[C@@]1(c2ccccc2Br)NC(=O)N(CC(=O)N[C@@H](c2cccs2)c2ccccc2)C1=O ZINC000008941793 554832003 /nfs/dbraw/zinc/83/20/03/554832003.db2.gz VIDCJRDUQOLFDC-OFNKIYASSA-N 0 0 498.402 4.183 50 0 JIAARN COC[C@@H](C)n1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)c1C ZINC000008942005 554832132 /nfs/dbraw/zinc/83/21/32/554832132.db2.gz KYPRSWGUPAAKKM-IEBWSBKVSA-N 0 0 469.607 4.176 50 0 JIAARN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965304 554839700 /nfs/dbraw/zinc/83/97/00/554839700.db2.gz UHCQWRJSTHFTAV-GAJHUEQPSA-N 0 0 486.572 4.404 50 0 JIAARN COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1 ZINC000008968241 554843018 /nfs/dbraw/zinc/84/30/18/554843018.db2.gz WWAWEKYPZIGLGE-HXUWFJFHSA-N 0 0 483.608 4.006 50 0 JIAARN O=C(NCCCn1ccnc1)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000008971000 554843769 /nfs/dbraw/zinc/84/37/69/554843769.db2.gz RSCGIHZHPVMMAF-GJZGRUSLSA-N 0 0 452.868 4.213 50 0 JIAARN O=C(Nc1nc2c(s1)COc1ccccc1-2)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008977521 554846273 /nfs/dbraw/zinc/84/62/73/554846273.db2.gz UXXHGCRCKXCHER-INIZCTEOSA-N 0 0 475.979 4.148 50 0 JIAARN COc1ccc(CCN(C)C(=O)CSc2nnc(-c3ccccc3Br)o2)cc1OC ZINC000008981152 554847081 /nfs/dbraw/zinc/84/70/81/554847081.db2.gz XPKQZRMNUZHJEO-UHFFFAOYSA-N 0 0 492.395 4.310 50 0 JIAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)C[C@H](C)O1 ZINC000008988482 554850927 /nfs/dbraw/zinc/85/09/27/554850927.db2.gz YBVQLLXOECECHF-PMACEKPBSA-N 0 0 464.587 4.004 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)Cc2ccc(Cl)cc2)c2cccnc2)cc1 ZINC000009007377 554860483 /nfs/dbraw/zinc/86/04/83/554860483.db2.gz SXLSHHBRCBPLGG-QHCPKHFHSA-N 0 0 493.050 4.493 50 0 JIAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)NCc3ccco3)n2-c2ccccc2F)cc1 ZINC000009023800 554867228 /nfs/dbraw/zinc/86/72/28/554867228.db2.gz AMJAJLLLEJKTBE-HNNXBMFYSA-N 0 0 452.511 4.472 50 0 JIAARN COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3nnc(-c4ccc(Br)s4)o3)C2=O)cc1 ZINC000009051381 554872150 /nfs/dbraw/zinc/87/21/50/554872150.db2.gz ABBDSXQBFIWBKE-HXUWFJFHSA-N 0 0 491.367 4.013 50 0 JIAARN COc1ccc([C@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)cc1F ZINC000009052841 554872965 /nfs/dbraw/zinc/87/29/65/554872965.db2.gz NPXXWZDMDGKERI-KRWDZBQOSA-N 0 0 486.565 4.155 50 0 JIAARN O=C(COc1cc2ccccc2cc1C(=O)NCc1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000009056397 554874709 /nfs/dbraw/zinc/87/47/09/554874709.db2.gz XJPISYNHLDKCTR-UHFFFAOYSA-N 0 0 468.509 4.194 50 0 JIAARN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)C2=O)c1 ZINC000009056435 554874772 /nfs/dbraw/zinc/87/47/72/554874772.db2.gz GSYFORFVPKOZRA-PXDATVDWSA-N 0 0 461.543 4.027 50 0 JIAARN COc1ccccc1C(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000009058666 554877416 /nfs/dbraw/zinc/87/74/16/554877416.db2.gz DBUXXLWNDUYMCQ-FPDDQMOCSA-N 0 0 455.551 4.230 50 0 biogenic JIAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(Cc2ccco2)c2nc3ccccc3s2)cc1 ZINC000009068668 554886024 /nfs/dbraw/zinc/88/60/24/554886024.db2.gz MNCHWDLYJUGSRF-NRFANRHFSA-N 0 0 497.598 4.284 50 0 JIAARN COc1ccc(CN2C(=S)N(C3CCCCC3)C(=O)[C@H]2CC(=O)Nc2ccccc2)cc1 ZINC000009076083 554887371 /nfs/dbraw/zinc/88/73/71/554887371.db2.gz PFWOBEXWGAVQOD-JOCHJYFZSA-N 0 0 451.592 4.354 50 0 JIAARN CC[C@@H](Sc1nnc(CNC(=O)c2ccccc2F)n1C)C(=O)Nc1cc(C)cc(C)c1 ZINC000009095863 554893942 /nfs/dbraw/zinc/89/39/42/554893942.db2.gz RPYVDPPRJDEQMY-LJQANCHMSA-N 0 0 455.559 4.010 50 0 JIAARN CC[C@@H](Sc1nnc(CCNC(=O)c2ccccc2F)n1C)C(=O)Nc1ccc(C)cc1C ZINC000009095873 554893971 /nfs/dbraw/zinc/89/39/71/554893971.db2.gz NLSJFJBCYZCSBF-HXUWFJFHSA-N 0 0 469.586 4.053 50 0 JIAARN Cc1cc(C)cc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2cccc3ccccc32)c4=O)c1 ZINC000009109855 554898050 /nfs/dbraw/zinc/89/80/50/554898050.db2.gz ULPFWWWUFCFKDH-UHFFFAOYSA-N 0 0 465.557 4.257 50 0 JIAARN CC1=C(C(=O)Nc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)SCCO1 ZINC000009115229 554901886 /nfs/dbraw/zinc/90/18/86/554901886.db2.gz FSBCOMYRDATFPC-UHFFFAOYSA-N 0 0 457.983 4.236 50 0 JIAARN COc1ccc(Cn2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3cc(C)ccc3C)c2=O)cc1 ZINC000009116585 554904646 /nfs/dbraw/zinc/90/46/46/554904646.db2.gz NJCKWBHQDNOKQI-UHFFFAOYSA-N 0 0 483.524 4.222 50 0 JIAARN COc1ccc(-c2cn3nc(N4CCC(C(=O)NCc5cccc(OC)c5)CC4)sc3n2)cc1 ZINC000009117370 554906532 /nfs/dbraw/zinc/90/65/32/554906532.db2.gz UVMYGUGKSSXYPW-UHFFFAOYSA-N 0 0 477.590 4.008 50 0 JIAARN Cc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCc5ccc6c(c5)OCO6)C4)sc3n2)cc1 ZINC000009117506 554907052 /nfs/dbraw/zinc/90/70/52/554907052.db2.gz IHRYMQZQALJLJG-LJQANCHMSA-N 0 0 475.574 4.028 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3ccc(-n4c(C)nc5ccccc5c4=O)cc3)CC2)c1C ZINC000009117902 554907552 /nfs/dbraw/zinc/90/75/52/554907552.db2.gz PTGSTPVWTJCRJJ-UHFFFAOYSA-N 0 0 452.558 4.273 50 0 JIAARN Cn1c2ccccc2c(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)c1-c1ccccc1 ZINC000009117948 554907745 /nfs/dbraw/zinc/90/77/45/554907745.db2.gz QDPQZRFHQYDPQS-GDLZYMKVSA-N 0 0 495.535 4.266 50 0 JIAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000009119781 554911280 /nfs/dbraw/zinc/91/12/80/554911280.db2.gz QYFNKWFOZYHUJX-UHFFFAOYSA-N 0 0 453.998 4.286 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2Br)o1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000009120365 554913093 /nfs/dbraw/zinc/91/30/93/554913093.db2.gz DBOVSYXSFKWASW-UHFFFAOYSA-N 0 0 491.411 4.386 50 0 JIAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2cccnc2Cl)cc1OC ZINC000009120580 554913719 /nfs/dbraw/zinc/91/37/19/554913719.db2.gz FAWWVWMUDRZRGI-UHFFFAOYSA-N 0 0 482.949 4.182 50 0 JIAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnc3[nH]c4ccccc4n31)CCCCC2 ZINC000009124887 554916535 /nfs/dbraw/zinc/91/65/35/554916535.db2.gz MAIFMHMZRGLKAL-UHFFFAOYSA-N 0 0 455.565 4.058 50 0 JIAARN Cc1cc(NC(=O)CN(c2nccs2)S(=O)(=O)c2ccccc2)ccc1Br ZINC000009124945 554916799 /nfs/dbraw/zinc/91/67/99/554916799.db2.gz CIWGEGYTSBXJBD-UHFFFAOYSA-N 0 0 466.382 4.048 50 0 JIAARN CC(C)CN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)c1nc2ccccc2s1 ZINC000009127123 554921860 /nfs/dbraw/zinc/92/18/60/554921860.db2.gz AQUHULKCRURZNU-UHFFFAOYSA-N 0 0 486.663 4.450 50 0 JIAARN COc1cccc([C@H](CNc2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)N2CCCC2)c1 ZINC000009130688 554930692 /nfs/dbraw/zinc/93/06/92/554930692.db2.gz HQHMHPCIJQYBTQ-NRFANRHFSA-N 0 0 464.957 4.020 50 0 JIAARN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)CC(C)(C)C1 ZINC000009132443 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CCN(CC)c1nc(O)c(CC(=O)Nc2cccc(C(=O)N[C@@H](c3cccs3)C3CC3)c2)s1 ZINC000009364643 555124910 /nfs/dbraw/zinc/12/49/10/555124910.db2.gz GKEXWLPIHYRXSE-PZJWPPBQSA-N 0 0 484.647 4.298 50 0 JIAARN CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc1)n2C ZINC000009367564 555129983 /nfs/dbraw/zinc/12/99/83/555129983.db2.gz GBKBSUADNQYPCX-NGKHFMBDSA-N 0 0 487.647 4.046 50 0 JIAARN COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2c1 ZINC000009368433 555131441 /nfs/dbraw/zinc/13/14/41/555131441.db2.gz NEENKUHNFFCWIC-UHFFFAOYSA-N 0 0 479.583 4.304 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(OCC)cc2)SCC3)cc1 ZINC000009369184 555132912 /nfs/dbraw/zinc/13/29/12/555132912.db2.gz CXVYVHFLNHUJEZ-UHFFFAOYSA-N 0 0 483.615 4.409 50 0 JIAARN CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)n1Cc1ccccc1)N(C)C ZINC000009375397 555136185 /nfs/dbraw/zinc/13/61/85/555136185.db2.gz ONTALKDFBTUNQL-HTAPYJJXSA-N 0 0 480.638 4.417 50 0 JIAARN 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ZINC000009380825 555142720 /nfs/dbraw/zinc/14/27/20/555142720.db2.gz KCIYFBNSWNWXRV-FQEVSTJZSA-N 0 0 493.994 4.235 50 0 JIAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cccs3)C2)cc1 ZINC000009380866 555142897 /nfs/dbraw/zinc/14/28/97/555142897.db2.gz CYBIBNRMUBGKGJ-HXUWFJFHSA-N 0 0 475.617 4.050 50 0 JIAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1csc2NC(=O)c1ccc(F)cc1 ZINC000009381408 555144150 /nfs/dbraw/zinc/14/41/50/555144150.db2.gz UHLIMVRJLBSJCW-UHFFFAOYSA-N 0 0 451.479 4.324 50 0 JIAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2NC(=O)c1ccccc1OCC ZINC000009381484 555144598 /nfs/dbraw/zinc/14/45/98/555144598.db2.gz NBHHNGDFTFJTGI-UHFFFAOYSA-N 0 0 481.505 4.414 50 0 JIAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2NC(=O)Cc1ccc(OC)cc1 ZINC000009381596 555144943 /nfs/dbraw/zinc/14/49/43/555144943.db2.gz ZQCFOBYDCHIUTD-UHFFFAOYSA-N 0 0 497.960 4.467 50 0 JIAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2NC(=O)c1ccc2c(c1)OCO2 ZINC000009381577 555145032 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CC(C)N(Cc1ccccc1)C(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000009439319 555209099 /nfs/dbraw/zinc/20/90/99/555209099.db2.gz LXWYYGFPLZAERK-UHFFFAOYSA-N 0 0 460.530 4.189 50 0 JIAARN COc1ccc(NC(=O)CN(c2ccc(C(C)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000009439672 555209782 /nfs/dbraw/zinc/20/97/82/555209782.db2.gz LLJZAOCYYNUYDO-UHFFFAOYSA-N 0 0 482.558 4.049 50 0 JIAARN O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CS2)N(CCc1ccccc1)Cc1ccccc1 ZINC000009440579 555210896 /nfs/dbraw/zinc/21/08/96/555210896.db2.gz PVPADRUROPNPNV-UHFFFAOYSA-N 0 0 494.638 4.166 50 0 JIAARN Cn1c(S[C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)nnc1-c1ccccc1 ZINC000009442010 555213337 /nfs/dbraw/zinc/21/33/37/555213337.db2.gz PPJYMFDGDVDOIH-OAQYLSRUSA-N 0 0 450.589 4.294 50 0 JIAARN O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000009442631 555215097 /nfs/dbraw/zinc/21/50/97/555215097.db2.gz DQSVWDMUWLVKNL-UHFFFAOYSA-N 0 0 470.039 4.192 50 0 JIAARN CC[C@@H](C)c1ccc(-n2c(S[C@@H](C)C(=O)NC(N)=O)nc3ccc(Cl)cc3c2=O)cc1 ZINC000009442714 555215168 /nfs/dbraw/zinc/21/51/68/555215168.db2.gz BYPHLEZZNYETAM-OLZOCXBDSA-N 0 0 458.971 4.228 50 0 JIAARN CC[C@H](C)c1ccc(-n2c(S[C@@H](C)C(=O)NC(N)=O)nc3ccc(Cl)cc3c2=O)cc1 ZINC000009442715 555215181 /nfs/dbraw/zinc/21/51/81/555215181.db2.gz BYPHLEZZNYETAM-STQMWFEESA-N 0 0 458.971 4.228 50 0 JIAARN COC(=O)CSCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000009443952 555216634 /nfs/dbraw/zinc/21/66/34/555216634.db2.gz NHFKEYCCGYAXMJ-LJQANCHMSA-N 0 0 461.381 4.341 50 0 JIAARN CCOC(=O)CCSCC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cccc(OC)c1OC ZINC000009443989 555216691 /nfs/dbraw/zinc/21/66/91/555216691.db2.gz MCXQTHSSSCOSGE-OAQYLSRUSA-N 0 0 486.590 4.077 50 0 JIAARN Cc1cccc(C)c1NC(=O)CNC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O ZINC000009444950 555217868 /nfs/dbraw/zinc/21/78/68/555217868.db2.gz GJQATWBWMRJKGE-UHFFFAOYSA-N 0 0 480.977 4.150 50 0 JIAARN COc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc1S(=O)(=O)NC1CCCC1 ZINC000009446425 555219496 /nfs/dbraw/zinc/21/94/96/555219496.db2.gz DTLSUVWIMGTTMQ-UHFFFAOYSA-N 0 0 491.660 4.340 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)n1N ZINC000009446653 555219920 /nfs/dbraw/zinc/21/99/20/555219920.db2.gz IDDJGZMDWSLKKX-UHFFFAOYSA-N 0 0 474.377 4.395 50 0 JIAARN COc1ccc(Cl)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc21 ZINC000009447176 555220096 /nfs/dbraw/zinc/22/00/96/555220096.db2.gz WUUQAHCDDJEKLO-UHFFFAOYSA-N 0 0 465.984 4.385 50 0 JIAARN COCCCn1c(C(=O)NC(c2ccccc2)c2ccccc2)cc2c1nc1ccccn1c2=O ZINC000009447011 555220115 /nfs/dbraw/zinc/22/01/15/555220115.db2.gz KZTYRZBCNCAJCV-UHFFFAOYSA-N 0 0 466.541 4.205 50 0 JIAARN CCCn1nc(C(=O)OCC(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)c2ccccc2c1=O ZINC000009452091 555224427 /nfs/dbraw/zinc/22/44/27/555224427.db2.gz SUOKHLJXGJZARX-UHFFFAOYSA-N 0 0 475.520 4.452 50 0 JIAARN COc1cccc(OCCCOc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)c1 ZINC000009461449 555229047 /nfs/dbraw/zinc/22/90/47/555229047.db2.gz HZCNNNRCFYLXSP-JLPGSUDCSA-N 0 0 458.539 4.313 50 0 JIAARN CCCn1c(SCC(=O)NCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(Cl)cc1 ZINC000009463830 555234511 /nfs/dbraw/zinc/23/45/11/555234511.db2.gz GZVRGOUYZFCXMP-UHFFFAOYSA-N 0 0 472.014 4.472 50 0 JIAARN COc1ccc(C(=O)COC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)c(OC)c1 ZINC000009464133 555235682 /nfs/dbraw/zinc/23/56/82/555235682.db2.gz OIAYCLKOABPKRY-JOCHJYFZSA-N 0 0 478.501 4.022 50 0 JIAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)NCCc1cccs1 ZINC000009464873 555237895 /nfs/dbraw/zinc/23/78/95/555237895.db2.gz JCRRVPPVSJUYNS-UHFFFAOYSA-N 0 0 464.572 4.176 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(OC(F)F)cc2)c1 ZINC000009465960 555241368 /nfs/dbraw/zinc/24/13/68/555241368.db2.gz NFORYMLPVVHEKO-UHFFFAOYSA-N 0 0 456.511 4.358 50 0 JIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000009466458 555242425 /nfs/dbraw/zinc/24/24/25/555242425.db2.gz SWFSJEPKNIWZDW-CQSZACIVSA-N 0 0 457.581 4.387 50 0 JIAARN COc1cc2c(cc1NC(=O)COC(=O)/C(=C/c1ccccc1)n1nnnc1C)oc1ccccc12 ZINC000009466882 555243330 /nfs/dbraw/zinc/24/33/30/555243330.db2.gz PTANCRNRZYAPKT-MTJSOVHGSA-N 0 0 483.484 4.070 50 0 JIAARN O=C(CNC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NC1CCCCCC1 ZINC000009468139 555247008 /nfs/dbraw/zinc/24/70/08/555247008.db2.gz OPGSQNJIPBQNOJ-UHFFFAOYSA-N 0 0 479.602 4.209 50 0 JIAARN Cc1ccc(-n2c(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)nnc2N2CCCCC2)cc1 ZINC000009468615 555248655 /nfs/dbraw/zinc/24/86/55/555248655.db2.gz ULGZIXHRMJBHLE-IBGZPJMESA-N 0 0 490.633 4.422 50 0 JIAARN CCOc1cc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)ccc1OCC(=O)N1CCCCC1 ZINC000009468601 555248686 /nfs/dbraw/zinc/24/86/86/555248686.db2.gz UCNQGQCPIHRGFG-HXUWFJFHSA-N 0 0 476.577 4.153 50 0 JIAARN Cc1ccc(-n2ccnc2SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c(C)c1 ZINC000009468684 555248964 /nfs/dbraw/zinc/24/89/64/555248964.db2.gz GVJQHBQXBWSRKU-UHFFFAOYSA-N 0 0 470.620 4.004 50 0 JIAARN Cc1ccc(-n2c(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)nnc2N2CCCC2)cc1 ZINC000009468647 555248985 /nfs/dbraw/zinc/24/89/85/555248985.db2.gz QDBSKVCDQJVDLH-SFHVURJKSA-N 0 0 476.606 4.032 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCN(c2ccc(O)cc2)CC1 ZINC000009468941 555249953 /nfs/dbraw/zinc/24/99/53/555249953.db2.gz HVCFDRHUVVHIAO-UHFFFAOYSA-N 0 0 483.597 4.352 50 0 JIAARN Cc1cccn2c(=O)cc(CSc3nnc([C@H](C)N(C)C)n3-c3ccc(Cl)cc3)nc12 ZINC000009469382 555251659 /nfs/dbraw/zinc/25/16/59/555251659.db2.gz NNYDVFXUNAXVPZ-HNNXBMFYSA-N 0 0 454.987 4.152 50 0 JIAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000009477570 555258650 /nfs/dbraw/zinc/25/86/50/555258650.db2.gz DWTMKXZYTGWPSI-UHFFFAOYSA-N 0 0 457.530 4.354 50 0 JIAARN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccc(N2CCCC2=O)cc1 ZINC000009480951 555260909 /nfs/dbraw/zinc/26/09/09/555260909.db2.gz ACCQWWQCUDRTBY-UHFFFAOYSA-N 0 0 458.927 4.160 50 0 JIAARN CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000009480941 555260907 /nfs/dbraw/zinc/26/09/07/555260907.db2.gz GVPVUGVFPLGMIK-FQEVSTJZSA-N 0 0 465.579 4.013 50 0 JIAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3o2)[C@@H]1C ZINC000009482948 555261763 /nfs/dbraw/zinc/26/17/63/555261763.db2.gz QTDMETSYTYSLJN-JFIYKMOQSA-N 0 0 465.641 4.035 50 0 JIAARN COc1c(F)c(F)cc2c(=O)c(C(=O)NCCc3c[nH]c4ccc(F)cc34)cn(C3CC3)c21 ZINC000009485455 555262164 /nfs/dbraw/zinc/26/21/64/555262164.db2.gz LFUSFDQSJOMQET-UHFFFAOYSA-N 0 0 455.436 4.216 50 0 JIAARN CSCc1nnc2c3ccccc3c(-c3ccc(C)c(S(=O)(=O)NCc4ccco4)c3)nn12 ZINC000009488250 555263327 /nfs/dbraw/zinc/26/33/27/555263327.db2.gz NKLUAUBPMQFSBS-UHFFFAOYSA-N 0 0 479.587 4.187 50 0 JIAARN CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009488493 555263632 /nfs/dbraw/zinc/26/36/32/555263632.db2.gz YEVRMYRPHFUQOE-NRFANRHFSA-N 0 0 450.422 4.386 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000009489303 555264072 /nfs/dbraw/zinc/26/40/72/555264072.db2.gz XOLRCMRFMHDHRC-KDSDTBODSA-N 0 0 498.604 4.350 50 0 JIAARN CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000009489523 555264304 /nfs/dbraw/zinc/26/43/04/555264304.db2.gz DBTPJKONQGQZKR-NRFANRHFSA-N 0 0 490.585 4.282 50 0 JIAARN Cc1ccccc1-n1c(=O)c2c[nH]nc2nc1SCC(=O)c1ccc(Br)cc1 ZINC000009490224 555265344 /nfs/dbraw/zinc/26/53/44/555265344.db2.gz KVDSGRQADJFVJU-UHFFFAOYSA-N 0 0 455.337 4.155 50 0 JIAARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1F ZINC000009490798 555266856 /nfs/dbraw/zinc/26/68/56/555266856.db2.gz CXMHLWQVLIGGRV-UHFFFAOYSA-N 0 0 497.592 4.214 50 0 JIAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O ZINC000009491078 555267778 /nfs/dbraw/zinc/26/77/78/555267778.db2.gz VDOXBBFPGKZQQQ-XMMPIXPASA-N 0 0 474.388 4.242 50 0 JIAARN C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)n1C[C@@H]1CCCO1)C(=O)NC(N)=O ZINC000009491766 555270168 /nfs/dbraw/zinc/27/01/68/555270168.db2.gz DYLKOQCQWRCBRZ-LPHOPBHVSA-N 0 0 450.564 4.072 50 0 JIAARN NS(=O)(=O)c1cccc(NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)c1 ZINC000009491940 555270880 /nfs/dbraw/zinc/27/08/80/555270880.db2.gz NYYDNIDSBGSJFP-UHFFFAOYSA-N 0 0 487.006 4.116 50 0 JIAARN Cc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)n1-c1ccccc1 ZINC000009492086 555271283 /nfs/dbraw/zinc/27/12/83/555271283.db2.gz REBOGPMUSHAHQX-UHFFFAOYSA-N 0 0 493.614 4.132 50 0 JIAARN CCOc1ccc(-c2nc(COC(=O)CS[C@H](C)C(=O)Nc3cc(C)on3)cs2)cc1OC ZINC000009492982 555273957 /nfs/dbraw/zinc/27/39/57/555273957.db2.gz IIDXNVYOQZSDLT-CQSZACIVSA-N 0 0 491.591 4.317 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3ccccc3)n2[C@@H](C)COC)c1 ZINC000009494106 555277710 /nfs/dbraw/zinc/27/77/10/555277710.db2.gz UGAJUOAOLWTEIY-SFHVURJKSA-N 0 0 474.652 4.475 50 0 JIAARN Cc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2ccccc2Cl)cc1Cl ZINC000009495579 555280285 /nfs/dbraw/zinc/28/02/85/555280285.db2.gz NAXOQPVCLGPKMX-UHFFFAOYSA-N 0 0 460.346 4.455 50 0 JIAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000009496144 555280682 /nfs/dbraw/zinc/28/06/82/555280682.db2.gz BLQVIYDREWKWIR-UHFFFAOYSA-N 0 0 465.579 4.016 50 0 JIAARN COc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCCC[C@H]4C)c(=O)c3c2C)cc1Cl ZINC000009498806 555283413 /nfs/dbraw/zinc/28/34/13/555283413.db2.gz KRBBKKQKOAUMTK-CYBMUJFWSA-N 0 0 488.997 4.082 50 0 JIAARN COc1ccccc1CNC(=O)c1ccc2c(c1)nc(C)n2-c1cc(OC)c(OC)c(OC)c1 ZINC000009500740 555285295 /nfs/dbraw/zinc/28/52/95/555285295.db2.gz AZVPVGLLPMRBML-UHFFFAOYSA-N 0 0 461.518 4.298 50 0 JIAARN CCc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000009501748 555286150 /nfs/dbraw/zinc/28/61/50/555286150.db2.gz DSTIHSQUMZOGPN-UHFFFAOYSA-N 0 0 492.395 4.450 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2cc(OC)c(OC)cc2OC)ccc1C ZINC000009501567 555286194 /nfs/dbraw/zinc/28/61/94/555286194.db2.gz ZMNMGBGKLPRSPJ-UHFFFAOYSA-N 0 0 498.601 4.166 50 0 JIAARN Cc1c(NC(=O)[C@@H](C)Sc2nc(C)nc3sc4c(c32)CCC4)c(=O)n(-c2ccccc2)n1C ZINC000009507496 555291997 /nfs/dbraw/zinc/29/19/97/555291997.db2.gz UWRBWFHKEYLBLV-CQSZACIVSA-N 0 0 479.631 4.406 50 0 JIAARN COc1ccc(-n2c(SCC(=O)Nc3ccccc3C(C)=O)nc3ccccc3c2=O)cc1OC ZINC000009507517 555292241 /nfs/dbraw/zinc/29/22/41/555292241.db2.gz SAWMIYYXULZGAN-UHFFFAOYSA-N 0 0 489.553 4.336 50 0 JIAARN O=C(CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000009508679 555295265 /nfs/dbraw/zinc/29/52/65/555295265.db2.gz GLQCLTIXEBRULF-OAQYLSRUSA-N 0 0 470.356 4.089 50 0 JIAARN COc1ccc(CCn2c(=O)c3ccccc3nc2SCC(=O)Nc2cccnc2Cl)cc1 ZINC000009509613 555297693 /nfs/dbraw/zinc/29/76/93/555297693.db2.gz XHERANAUWIIKPQ-UHFFFAOYSA-N 0 0 480.977 4.427 50 0 JIAARN Cc1c(Cl)cnc(NC(=O)COC(=O)Cn2c3ccccc3nc2C(F)(F)F)c1Cl ZINC000009509650 555297726 /nfs/dbraw/zinc/29/77/26/555297726.db2.gz ZUYZFLZMNJGUTQ-UHFFFAOYSA-N 0 0 461.227 4.247 50 0 JIAARN O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000009511968 555301299 /nfs/dbraw/zinc/30/12/99/555301299.db2.gz ULVMJVUBBXBCMH-UHFFFAOYSA-N 0 0 457.555 4.469 50 0 JIAARN O=c1[nH]c(CSc2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)nc2ccsc21 ZINC000009512587 555302713 /nfs/dbraw/zinc/30/27/13/555302713.db2.gz QZNAYPQUJBMGDB-CQSZACIVSA-N 0 0 459.984 4.368 50 0 JIAARN Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)n2c1 ZINC000009513451 555303728 /nfs/dbraw/zinc/30/37/28/555303728.db2.gz NGYRLGUXAFJJSB-UHFFFAOYSA-N 0 0 460.559 4.347 50 0 JIAARN Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1NC(=O)c1ccco1 ZINC000009514108 555304459 /nfs/dbraw/zinc/30/44/59/555304459.db2.gz GPYGHINTHZWLTM-UHFFFAOYSA-N 0 0 475.501 4.060 50 0 JIAARN CCn1c(CN2CCCCCC2=O)nnc1S[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000009514028 555304467 /nfs/dbraw/zinc/30/44/67/555304467.db2.gz UROQWZPRPGEYCB-HNNXBMFYSA-N 0 0 480.034 4.290 50 0 JIAARN O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000009514316 555304857 /nfs/dbraw/zinc/30/48/57/555304857.db2.gz PXEGDZAHEGDVKD-UKILVPOCSA-N 0 0 486.959 4.190 50 0 JIAARN COc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000009514375 555304956 /nfs/dbraw/zinc/30/49/56/555304956.db2.gz PVAPPNSHCNXYOB-GOSISDBHSA-N 0 0 450.560 4.107 50 0 JIAARN O=C(CSc1nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2o1)NCc1ccco1 ZINC000009516768 555308751 /nfs/dbraw/zinc/30/87/51/555308751.db2.gz XQOIISDUOQQCAM-UHFFFAOYSA-N 0 0 477.951 4.284 50 0 JIAARN C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)Nc1sccc1C(N)=O ZINC000009516966 555309152 /nfs/dbraw/zinc/30/91/52/555309152.db2.gz TYXNCQKIYOKTHT-NSHDSACASA-N 0 0 477.999 4.125 50 0 JIAARN COc1cccc(-c2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)n2Cc2ccco2)c1 ZINC000009516990 555309177 /nfs/dbraw/zinc/30/91/77/555309177.db2.gz SNAJATBIWUYUCA-QHCPKHFHSA-N 0 0 490.585 4.287 50 0 JIAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(N2CCCC2=O)cc1 ZINC000009516961 555309211 /nfs/dbraw/zinc/30/92/11/555309211.db2.gz YTMWBMRGDAZKSU-UHFFFAOYSA-N 0 0 459.531 4.083 50 0 JIAARN CCOc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)c1ccccc1 ZINC000009517130 555309616 /nfs/dbraw/zinc/30/96/16/555309616.db2.gz FAHRZHRIQNFFKR-HSZRJFAPSA-N 0 0 463.559 4.448 50 0 JIAARN Cc1cc(C)cc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2cccc(Cl)c2)c4=O)c1 ZINC000009518984 555315382 /nfs/dbraw/zinc/31/53/82/555315382.db2.gz UEXFFTVQNCFCND-QGZVFWFLSA-N 0 0 463.969 4.003 50 0 JIAARN Cc1c(Cl)cccc1N1C[C@H](C)Cn2c3c(nc21)n(C)c(=O)n(C/C=C/c1ccccc1)c3=O ZINC000009519275 555315821 /nfs/dbraw/zinc/31/58/21/555315821.db2.gz MGRAQPWANVTPOS-YRYLYKBFSA-N 0 0 475.980 4.360 50 0 JIAARN O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000009530600 555325467 /nfs/dbraw/zinc/32/54/67/555325467.db2.gz NIOGHCDWTLCOQD-UHFFFAOYSA-N 0 0 451.408 4.494 50 0 JIAARN O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000009536603 555330138 /nfs/dbraw/zinc/33/01/38/555330138.db2.gz FFHDOLCIILEKKF-DHLKQENFSA-N 0 0 479.989 4.391 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)Cn1cnc3scc(-c4ccc(C)s4)c3c1=O)CC2 ZINC000009537277 555330582 /nfs/dbraw/zinc/33/05/82/555330582.db2.gz IJINPCRNSDLDNB-UHFFFAOYSA-N 0 0 481.599 4.097 50 0 JIAARN Nn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000009540977 555334149 /nfs/dbraw/zinc/33/41/49/555334149.db2.gz UNOJMEYDIKVASG-UHFFFAOYSA-N 0 0 478.340 4.226 50 0 JIAARN CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000009541099 555334151 /nfs/dbraw/zinc/33/41/51/555334151.db2.gz PBTPPNBXMJWHLG-UHFFFAOYSA-N 0 0 459.522 4.105 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)c1 ZINC000013138079 555334658 /nfs/dbraw/zinc/33/46/58/555334658.db2.gz AHYDRPKVUFVFHH-UHFFFAOYSA-N 0 0 472.438 4.403 50 0 JIAARN CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nc2ccccc2c(=O)n1CC(C)C ZINC000013138160 555334985 /nfs/dbraw/zinc/33/49/85/555334985.db2.gz RFFZMGXLYGFTDM-UHFFFAOYSA-N 0 0 489.619 4.342 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F ZINC000009633022 555335416 /nfs/dbraw/zinc/33/54/16/555335416.db2.gz QXROHWRSSBGSQB-IBGZPJMESA-N 0 0 462.930 4.016 50 0 JIAARN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CS[C@]4(c5cccs5)CCC(=O)N34)n2)cc1 ZINC000009544399 555335534 /nfs/dbraw/zinc/33/55/34/555335534.db2.gz XBANMJUDFVYCHJ-VGSWGCGISA-N 0 0 484.628 4.359 50 0 JIAARN O=C(OCc1c(F)cccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000013141483 555338883 /nfs/dbraw/zinc/33/88/83/555338883.db2.gz RSUNPUBQXOJBAE-UHFFFAOYSA-N 0 0 482.744 4.164 50 0 JIAARN C[C@H](NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009634381 555339423 /nfs/dbraw/zinc/33/94/23/555339423.db2.gz MJIXYXFJPDDQKQ-KRWDZBQOSA-N 0 0 473.558 4.070 50 0 JIAARN CC[C@@H](C)N(C(=O)CSc1nc2ccccc2n1-c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009546048 555339904 /nfs/dbraw/zinc/33/99/04/555339904.db2.gz WOBMFOVHZJWCNY-UYAOXDASSA-N 0 0 471.648 4.240 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1C ZINC000013141919 555340155 /nfs/dbraw/zinc/34/01/55/555340155.db2.gz GPJXOKVEPLPPCX-UHFFFAOYSA-N 0 0 482.920 4.488 50 0 JIAARN COc1cccc([C@@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2CCc2ccccc2)c1OC ZINC000009546240 555340687 /nfs/dbraw/zinc/34/06/87/555340687.db2.gz 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C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1nc(-c3ccc4c(c3)CCCC4)cs1)C2=O ZINC000009647777 555361592 /nfs/dbraw/zinc/36/15/92/555361592.db2.gz KHOIBSJDIWCMCT-OYLFLEFRSA-N 0 0 452.580 4.128 50 0 JIAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1 ZINC000013164009 555363349 /nfs/dbraw/zinc/36/33/49/555363349.db2.gz TUTRRIIXXQYBDY-GFCCVEGCSA-N 0 0 494.524 4.482 50 0 JIAARN COc1ccc(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 ZINC000009661660 555365731 /nfs/dbraw/zinc/36/57/31/555365731.db2.gz NDPIVOZDQCUKCH-UHFFFAOYSA-N 0 0 450.498 4.448 50 0 JIAARN O=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000009569064 555365933 /nfs/dbraw/zinc/36/59/33/555365933.db2.gz CCWPTYWKEBGGDY-UHFFFAOYSA-N 0 0 478.336 4.201 50 0 JIAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ccccc1CN1CCOCC1 ZINC000013164698 555366096 /nfs/dbraw/zinc/36/60/96/555366096.db2.gz OUHMPSVLESAPQZ-UHFFFAOYSA-N 0 0 482.584 4.310 50 0 JIAARN Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)c1 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CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000019882103 555527365 /nfs/dbraw/zinc/52/73/65/555527365.db2.gz STRJLJDYADKPNI-QHCPKHFHSA-N 0 0 482.964 4.113 50 0 JIAARN CCc1ccc(NC(=O)[C@@H](CC)Sc2nc3ncccc3c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000009830429 555529972 /nfs/dbraw/zinc/52/99/72/555529972.db2.gz XYKBOBLVWFNDQA-AZUAARDMSA-N 0 0 452.580 4.042 50 0 JIAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2C)c(=O)n3CCC(C)C)C1 ZINC000009830576 555530483 /nfs/dbraw/zinc/53/04/83/555530483.db2.gz LCVGNIIAKVKHGY-UHFFFAOYSA-N 0 0 459.999 4.126 50 0 JIAARN Cc1ccc(N2C(=O)N(CC(=O)N3CCC(c4nc5ccccc5s4)CC3)C(=O)[C@H]2C)cc1 ZINC000009832019 555535017 /nfs/dbraw/zinc/53/50/17/555535017.db2.gz VPBXWGJUKMNZNJ-QGZVFWFLSA-N 0 0 462.575 4.168 50 0 JIAARN O=C(c1ccc(Br)cc1)N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000009834025 555537022 /nfs/dbraw/zinc/53/70/22/555537022.db2.gz HJJNPSVGZKQGEY-MRXNPFEDSA-N 0 0 471.170 4.169 50 0 JIAARN CN1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(Br)cc12 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CCOc1ccc(S(=O)(=O)c2cn(Cc3cccc(OC)c3)c3ccc(F)cc3c2=O)cc1 ZINC000009970978 555568363 /nfs/dbraw/zinc/56/83/63/555568363.db2.gz FKTLFHINXKTSNR-UHFFFAOYSA-N 0 0 467.518 4.429 50 0 JIAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)sc2c1 ZINC000009971456 555569381 /nfs/dbraw/zinc/56/93/81/555569381.db2.gz GYEJQHPBNLFEIB-IBGZPJMESA-N 0 0 450.608 4.260 50 0 JIAARN COC(=O)[C@@H](CC(=O)c1ccc(Br)cc1)c1cc(=O)oc2c1ccc(OC)c2OC ZINC000013685579 555578845 /nfs/dbraw/zinc/57/88/45/555578845.db2.gz YIVZFZJMRVNFOO-INIZCTEOSA-N 0 0 475.291 4.102 50 0 JIAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccccc1Br ZINC000013687549 555580811 /nfs/dbraw/zinc/58/08/11/555580811.db2.gz LCLSABAEKAAFLP-NJDAHSKKSA-N 0 0 465.303 4.206 50 0 JIAARN CCNC(=O)NC(=O)CSc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1 ZINC000009982598 555582173 /nfs/dbraw/zinc/58/21/73/555582173.db2.gz IPQHWFJCQPIWFO-UHFFFAOYSA-N 0 0 451.596 4.465 50 0 JIAARN CCCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 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IVEZGFMSCYNHRF-UHFFFAOYSA-N 0 0 452.551 4.111 50 0 JIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000020355054 555782419 /nfs/dbraw/zinc/78/24/19/555782419.db2.gz SBJCSZNFZCIPMM-INIZCTEOSA-N 0 0 463.481 4.293 50 0 JIAARN COc1ccc(C(=O)COC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)cc1 ZINC000011497954 555784436 /nfs/dbraw/zinc/78/44/36/555784436.db2.gz GUEIPEOVBUFPST-UHFFFAOYSA-N 0 0 473.934 4.213 50 0 JIAARN CC[C@H](Sc1ncc(S(=O)(=O)c2ccc(C)c(C)c2)c(O)n1)C(=O)Nc1ccc(OC)cc1 ZINC000020355881 555784980 /nfs/dbraw/zinc/78/49/80/555784980.db2.gz AWUQWUNDARPYGO-IBGZPJMESA-N 0 0 487.603 4.150 50 0 JIAARN CCOc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1S(=O)(=O)N(CC)CC ZINC000011547431 555786752 /nfs/dbraw/zinc/78/67/52/555786752.db2.gz GQEOGIDUDSUIGX-UHFFFAOYSA-N 0 0 491.013 4.266 50 0 JIAARN COc1ccc([C@@H]2CCCN2C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(OC)c1 ZINC000011548911 555786871 /nfs/dbraw/zinc/78/68/71/555786871.db2.gz OEVRPYJBAJNCBX-SFHVURJKSA-N 0 0 467.591 4.177 50 0 JIAARN COc1ccc([C@H]2CCCN2C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(OC)c1 ZINC000011548913 555786906 /nfs/dbraw/zinc/78/69/06/555786906.db2.gz OEVRPYJBAJNCBX-GOSISDBHSA-N 0 0 467.591 4.177 50 0 JIAARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=S)N[C@H]1c1cccc(NC(=O)C(F)(F)F)c1 ZINC000011552775 555786950 /nfs/dbraw/zinc/78/69/50/555786950.db2.gz RPBZBQSRMGKCDA-SFHVURJKSA-N 0 0 463.481 4.379 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000011612780 555790141 /nfs/dbraw/zinc/79/01/41/555790141.db2.gz QSPFADRHFDYNBR-OAHLLOKOSA-N 0 0 485.375 4.169 50 0 JIAARN O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1F ZINC000011612885 555790188 /nfs/dbraw/zinc/79/01/88/555790188.db2.gz DROKNYZQBVFKTE-HNNXBMFYSA-N 0 0 473.339 4.299 50 0 JIAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000014279439 555791253 /nfs/dbraw/zinc/79/12/53/555791253.db2.gz IDKDCRAIFGWHLS-UHFFFAOYSA-N 0 0 483.977 4.387 50 0 JIAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(C(C)C)cc4)C3)cc2C[C@@H]1C ZINC000020529272 555794596 /nfs/dbraw/zinc/79/45/96/555794596.db2.gz WZFXFMGZLHMDQA-GHTZIAJQSA-N 0 0 483.634 4.147 50 0 JIAARN COCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000020529901 555795492 /nfs/dbraw/zinc/79/54/92/555795492.db2.gz GGYWFOZRVHYOPE-UHFFFAOYSA-N 0 0 495.601 4.041 50 0 JIAARN CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cc2C1=O ZINC000014357490 555797013 /nfs/dbraw/zinc/79/70/13/555797013.db2.gz UVQFOFAZGJGSBN-LREROPASSA-N 0 0 480.605 4.207 50 0 JIAARN COc1ccc(NC(=O)CCCc2nnc3n2c2ccsc2c(=O)n3CCC(C)C)cc1 ZINC000020530629 555798141 /nfs/dbraw/zinc/79/81/41/555798141.db2.gz UQYHJYASDHMIHL-UHFFFAOYSA-N 0 0 453.568 4.122 50 0 JIAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2C[C@H]1C ZINC000020532621 555803235 /nfs/dbraw/zinc/80/32/35/555803235.db2.gz VLSVIPVWNODKNI-OAQYLSRUSA-N 0 0 489.641 4.080 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)NCCC3=CCCCC3)c12 ZINC000011696207 555803882 /nfs/dbraw/zinc/80/38/82/555803882.db2.gz SJXVSFFNCHRKLC-GOSISDBHSA-N 0 0 484.647 4.448 50 0 JIAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)N[C@H](c3nccn3C)c3ccc(F)cc3)cc2C1=O ZINC000014399738 555805222 /nfs/dbraw/zinc/80/52/22/555805222.db2.gz GJXWONNOTBBXRO-QHCPKHFHSA-N 0 0 468.488 4.188 50 0 JIAARN O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(N2CCCC2)cc1 ZINC000011753147 555808786 /nfs/dbraw/zinc/80/87/86/555808786.db2.gz TUCUVPRWOQWMBJ-UHFFFAOYSA-N 0 0 455.502 4.003 50 0 JIAARN CCc1ccccc1NC(=O)Cn1c2c3cc(C)ccc3n(C)c2c(=O)n(-c2ccccc2)c1=O ZINC000020558153 555809885 /nfs/dbraw/zinc/80/98/85/555809885.db2.gz KPKTUUMQSHRBLS-UHFFFAOYSA-N 0 0 466.541 4.154 50 0 JIAARN COc1ccc2c(c1)c1c(c(=O)n(-c3cccc(Cl)c3)c(=O)n1Cc1ccccc1F)n2C ZINC000020558182 555810115 /nfs/dbraw/zinc/81/01/15/555810115.db2.gz DPUSHZNRYYFAAH-UHFFFAOYSA-N 0 0 463.896 4.494 50 0 JIAARN COc1cccc(CN2C(=O)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2cc(OC)cc(OC)c2)c1 ZINC000020559238 555810379 /nfs/dbraw/zinc/81/03/79/555810379.db2.gz DCZFTXAAALGTFW-DEOSSOPVSA-N 0 0 489.528 4.079 50 0 JIAARN COc1ccc(OC)c(NC(=O)C[C@H](c2ccc(OC)c(OC)c2)N2Cc3ccccc3C2=O)c1 ZINC000020561183 555811921 /nfs/dbraw/zinc/81/19/21/555811921.db2.gz FEJRAKKREOYOSJ-JOCHJYFZSA-N 0 0 476.529 4.447 50 0 JIAARN COc1ccc(NC(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)N2Cc3ccccc3C2=O)cc1 ZINC000020561422 555812121 /nfs/dbraw/zinc/81/21/21/555812121.db2.gz NOBJMRBXVVMASR-QFIPXVFZSA-N 0 0 476.529 4.447 50 0 JIAARN CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CCN(C(=O)CSc2ncccn2)CC1 ZINC000011783017 555813963 /nfs/dbraw/zinc/81/39/63/555813963.db2.gz KDXIBRNEMWYJAK-NRFANRHFSA-N 0 0 480.659 4.252 50 0 JIAARN O=C(C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000011784227 555815858 /nfs/dbraw/zinc/81/58/58/555815858.db2.gz YNHCANSVAQVKTO-WJOKGBTCSA-N 0 0 495.623 4.192 50 0 JIAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC(C(=O)NCCc3cccs3)CC1)nnc2C ZINC000020564197 555817036 /nfs/dbraw/zinc/81/70/36/555817036.db2.gz XNNDSQGQPBBZCM-UHFFFAOYSA-N 0 0 460.607 4.069 50 0 JIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCC(C(=O)NCc3ccc4c(c3)OCO4)CC1)nnc2C ZINC000020564277 555817483 /nfs/dbraw/zinc/81/74/83/555817483.db2.gz LYVYSQKVUBNEQT-UHFFFAOYSA-N 0 0 498.587 4.002 50 0 JIAARN Cc1ccc(-c2ccnc(-n3ncc(C(=O)N4CCN(c5ccccc5)CC4)c3C3CC3)n2)o1 ZINC000011785464 555817663 /nfs/dbraw/zinc/81/76/63/555817663.db2.gz LOYZJLLZRVWMEK-UHFFFAOYSA-N 0 0 454.534 4.071 50 0 JIAARN CC(=O)Nc1cc(C(=O)N[C@H](c2ccco2)C(F)(F)F)cc2ncn(CCc3ccccn3)c21 ZINC000011786355 555819688 /nfs/dbraw/zinc/81/96/88/555819688.db2.gz QFABEALGHCADGA-OAQYLSRUSA-N 0 0 471.439 4.259 50 0 JIAARN CSc1ccc(-c2ccc(C(=O)NCc3cn4ccccc4n3)c(N3CCC(O)CC3)n2)cc1 ZINC000020568536 555821942 /nfs/dbraw/zinc/82/19/42/555821942.db2.gz NUIMBYFQMCNXMV-UHFFFAOYSA-N 0 0 473.602 4.009 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)Cn1c(=O)cc(C(=O)N2CCC(C)CC2)c2ccccc21 ZINC000020570025 555823177 /nfs/dbraw/zinc/82/31/77/555823177.db2.gz LCSXNMLBWPALRZ-UHFFFAOYSA-N 0 0 467.953 4.174 50 0 JIAARN O=C(C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O)N1CCC(c2ccncc2)CC1 ZINC000011788672 555823226 /nfs/dbraw/zinc/82/32/26/555823226.db2.gz QSAPJIZXDCOUCV-HHHXNRCGSA-N 0 0 480.008 4.471 50 0 JIAARN Cc1ccc(NC(=O)CN2c3ccccc3[C@]3(SCC(=O)N3c3cccc(C)c3)C2=O)cc1 ZINC000020573884 555825918 /nfs/dbraw/zinc/82/59/18/555825918.db2.gz JBZNUERCPRFLPI-SANMLTNESA-N 0 0 457.555 4.222 50 0 JIAARN CCc1ccc(NC(=O)CN2c3ccccc3[C@@]3(SCC(=O)N3c3cccc(C)c3)C2=O)cc1 ZINC000020573883 555825980 /nfs/dbraw/zinc/82/59/80/555825980.db2.gz DJYMDFDXYQQZIW-HHHXNRCGSA-N 0 0 471.582 4.476 50 0 JIAARN CCOC(=O)c1nn(CCc2scnc2C)c2c1CN(C[C@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000014536902 555826142 /nfs/dbraw/zinc/82/61/42/555826142.db2.gz GFINVRNUFRXISA-QGZVFWFLSA-N 0 0 496.633 4.033 50 0 JIAARN CCc1ccc(NC(=O)CN2c3ccccc3[C@]3(SCC(=O)N3c3cccc(F)c3)C2=O)cc1 ZINC000020573962 555826855 /nfs/dbraw/zinc/82/68/55/555826855.db2.gz LPKBNQPEJRJSLF-SANMLTNESA-N 0 0 475.545 4.306 50 0 JIAARN Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccc(F)cc3)C2=O)cc1 ZINC000020574039 555827104 /nfs/dbraw/zinc/82/71/04/555827104.db2.gz CAPVSWLEMLLTFA-RUZDIDTESA-N 0 0 461.518 4.052 50 0 JIAARN COc1ccccc1NC(=O)CN1c2ccccc2[C@]2(SCC(=O)N2c2ccc(Cl)cc2)C1=O ZINC000020574087 555827380 /nfs/dbraw/zinc/82/73/80/555827380.db2.gz FHZNVSLFEDYAER-VWLOTQADSA-N 0 0 493.972 4.267 50 0 JIAARN O=C(CN1c2ccccc2[C@@]2(SCC(=O)N2c2cccc(Cl)c2)C1=O)Nc1ccccc1 ZINC000020574139 555827725 /nfs/dbraw/zinc/82/77/25/555827725.db2.gz QLLPOYRTJVQWIQ-XMMPIXPASA-N 0 0 463.946 4.258 50 0 JIAARN CCc1ccc(NC(=O)CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccc(OC)cc3)C2=O)cc1 ZINC000020574185 555828214 /nfs/dbraw/zinc/82/82/14/555828214.db2.gz CXOCQDBYDDFIEG-HHHXNRCGSA-N 0 0 487.581 4.176 50 0 JIAARN COc1cccc(N2C(=O)CS[C@]23c2ccccc2N(CC(=O)Nc2ccc(Cl)cc2)C3=O)c1 ZINC000020574214 555828390 /nfs/dbraw/zinc/82/83/90/555828390.db2.gz AURWPFPASNVHSM-VWLOTQADSA-N 0 0 493.972 4.267 50 0 JIAARN COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@@H](CNC(=O)Cc2csc(C)n2)C3)cc1 ZINC000011813651 555829252 /nfs/dbraw/zinc/82/92/52/555829252.db2.gz QOOYURLLRVTKAZ-LJQANCHMSA-N 0 0 456.951 4.221 50 0 JIAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c43)C2)c(OC)c1 ZINC000020575232 555830132 /nfs/dbraw/zinc/83/01/32/555830132.db2.gz ATMDOTWIIUUSNP-INIZCTEOSA-N 0 0 477.496 4.296 50 0 JIAARN CO[C@H]1[C@H](NC(=O)c2ccncc2)c2ccccc2C12CCN(C(=O)C1(c3ccccc3)CC1)CC2 ZINC000011814958 555830226 /nfs/dbraw/zinc/83/02/26/555830226.db2.gz IMZKDQWVQYZLHJ-FTJBHMTQSA-N 0 0 481.596 4.173 50 0 JIAARN O=C(CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)N1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000011840535 555833233 /nfs/dbraw/zinc/83/32/33/555833233.db2.gz FSDJDRVWVYIAOH-SQHAQQRYSA-N 0 0 469.025 4.154 50 0 JIAARN COc1cccc(C[C@]2(CCC(=O)N3CCC[C@@H](COc4cccc(C)c4)C3)CCC(=O)N2)c1 ZINC000011841933 555834563 /nfs/dbraw/zinc/83/45/63/555834563.db2.gz JLFVCNOBGFDYTA-QDPGVEIFSA-N 0 0 464.606 4.293 50 0 JIAARN CCc1nn2c(nc(CSc3nc4ccc(NC(=O)c5ccco5)cc4s3)cc2=O)s1 ZINC000020583348 555836805 /nfs/dbraw/zinc/83/68/05/555836805.db2.gz IMVWPQWSWPXYJC-UHFFFAOYSA-N 0 0 469.573 4.461 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1nc(Cl)ccc1Cl ZINC000014706843 555838549 /nfs/dbraw/zinc/83/85/49/555838549.db2.gz OFLXNPQKJBZAKE-UHFFFAOYSA-N 0 0 458.367 4.214 50 0 JIAARN Cc1cccc(OCC(=O)Nc2ccc(N3CCN(Cc4nc5ccccc5n4C)CC3)cc2)c1 ZINC000020592103 555838687 /nfs/dbraw/zinc/83/86/87/555838687.db2.gz KETOXNKBLSKDEZ-UHFFFAOYSA-N 0 0 469.589 4.221 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cc4ccccc4s3)nc2N2CCOCC2)C1 ZINC000020599561 555840951 /nfs/dbraw/zinc/84/09/51/555840951.db2.gz SDEJDKFVHGDPRP-LJQANCHMSA-N 0 0 479.602 4.215 50 0 JIAARN O=C(Cc1ccccc1)N1CCC[C@H](COc2ccc(CN3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020601189 555842271 /nfs/dbraw/zinc/84/22/71/555842271.db2.gz OVRPKOBAUUQYAV-LJAQVGFWSA-N 0 0 498.671 4.260 50 0 JIAARN COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)N[C@H](C)c3nc(C)cs3)c21 ZINC000014998798 555843303 /nfs/dbraw/zinc/84/33/03/555843303.db2.gz PLVZZLOLCIMWEN-MRXNPFEDSA-N 0 0 469.611 4.457 50 0 JIAARN Cc1c2ccc(OCc3ccccc3)cc2oc(=O)c1CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000011867107 555843964 /nfs/dbraw/zinc/84/39/64/555843964.db2.gz RSBLEVQCACWQDW-KMRXNPHXSA-N 0 0 461.558 4.377 50 0 biogenic JIAARN O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000020644062 555846153 /nfs/dbraw/zinc/84/61/53/555846153.db2.gz UZZPIJHVKRFWSO-UHFFFAOYSA-N 0 0 485.053 4.383 50 0 JIAARN COc1cc(C(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc(OC)c1OC ZINC000020854320 555848123 /nfs/dbraw/zinc/84/81/23/555848123.db2.gz LPLWKUOQNOVRBP-NRFANRHFSA-N 0 0 463.465 4.421 50 0 JIAARN COCC(=O)Nc1cc2ncn(CCc3ccccc3)c2c(C(=O)NCc2cccc(F)c2F)c1 ZINC000011880430 555848649 /nfs/dbraw/zinc/84/86/49/555848649.db2.gz MEFKPSAPGYCYAB-UHFFFAOYSA-N 0 0 478.499 4.072 50 0 JIAARN COc1cc(OC)cc(C(=O)N2CCC3(C[C@H]3C(=O)Nc3ccc(OC)c(Cl)c3)CC2)c1 ZINC000011880450 555848656 /nfs/dbraw/zinc/84/86/56/555848656.db2.gz AGUVOUVWJMHIPL-IBGZPJMESA-N 0 0 458.942 4.247 50 0 JIAARN Cn1c(C(=O)N2CCC3(C[C@@H]3C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)cc2ccccc21 ZINC000015005958 555850585 /nfs/dbraw/zinc/85/05/85/555850585.db2.gz YTFWOQFKTZIDIE-GYAHLDOBSA-N 0 0 496.655 4.278 50 0 JIAARN Cc1ccccc1C[C@@H](C1CCN(C(=O)c2ccc3ccccc3n2)CC1)N(C)C(=O)Cn1cccn1 ZINC000011909995 555857337 /nfs/dbraw/zinc/85/73/37/555857337.db2.gz RPTJGLFVFRBPEI-NDEPHWFRSA-N 0 0 495.627 4.362 50 0 JIAARN Cn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc(-n2cc(NC(=O)Cc3cccc(F)c3)cn2)cc1 ZINC000011910190 555857351 /nfs/dbraw/zinc/85/73/51/555857351.db2.gz DTDYXFUYTMPVNC-DEOSSOPVSA-N 0 0 486.551 4.294 50 0 JIAARN COc1ccccc1[C@@H]([C@H](O)C(=O)c1c[nH]c2ccccc12)N1CCN(c2ccccc2)CC1 ZINC000015017546 555858587 /nfs/dbraw/zinc/85/85/87/555858587.db2.gz ZBJYRCMMFYEABF-XCZPVHLTSA-N 0 0 455.558 4.284 50 0 JIAARN COc1cccc(-c2cnc(C(F)(F)F)nc2C2CCN(C(=O)C=Cc3c[nH]cn3)CC2)c1 ZINC000011911926 555859978 /nfs/dbraw/zinc/85/99/78/555859978.db2.gz GMSLWTHXKPGVAD-AATRIKPKSA-N 0 0 457.456 4.314 50 0 JIAARN CCCc1cc(CN(C)C(=O)C[C@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C3CC3)C2=O)[nH]n1 ZINC000011912240 555860672 /nfs/dbraw/zinc/86/06/72/555860672.db2.gz AGSIUWVMJOHWSU-GDLZYMKVSA-N 0 0 484.600 4.237 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C(C)C)CC1 ZINC000011912718 555861663 /nfs/dbraw/zinc/86/16/63/555861663.db2.gz ZOFNAOMTTFHWPC-UHFFFAOYSA-N 0 0 472.549 4.017 50 0 JIAARN Cc1cc(I)ccc1NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 ZINC000022022905 555862780 /nfs/dbraw/zinc/86/27/80/555862780.db2.gz DHRRZVNBZHXEAQ-UHFFFAOYSA-N 0 0 484.337 4.486 50 0 JIAARN CCn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000015019811 555862940 /nfs/dbraw/zinc/86/29/40/555862940.db2.gz VMJFQBFQCUPEIG-UHFFFAOYSA-N 0 0 495.630 4.148 50 0 JIAARN Cc1ccc(C(C)C)c(OCC(=O)N(Cc2ccc(Br)o2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000011914056 555864291 /nfs/dbraw/zinc/86/42/91/555864291.db2.gz OHVKVGCPXZDVFE-INIZCTEOSA-N 0 0 484.412 4.069 50 0 JIAARN COc1cc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)ccc1OCCC(C)C ZINC000011914088 555864643 /nfs/dbraw/zinc/86/46/43/555864643.db2.gz WASPAXYZUXHWQZ-RUZDIDTESA-N 0 0 465.550 4.062 50 0 JIAARN COCCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc4c(c3)C[C@H](C)O4)on1)CCCC2 ZINC000011914763 555865494 /nfs/dbraw/zinc/86/54/94/555865494.db2.gz DOTLLPYHQMCKNQ-AWEZNQCLSA-N 0 0 481.574 4.234 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N2CCC(C)CC2)ccc1C ZINC000022052414 555866293 /nfs/dbraw/zinc/86/62/93/555866293.db2.gz WJYDMAPJBIDHFS-FQEVSTJZSA-N 0 0 472.607 4.014 50 0 JIAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccccc2)c(C(=O)Nc2ccc(F)cc2)n1 ZINC000011916651 555867664 /nfs/dbraw/zinc/86/76/64/555867664.db2.gz IYULJQYQWYTRQZ-UHFFFAOYSA-N 0 0 494.548 4.461 50 0 JIAARN CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2cnn(-c3nccc(-c4cc(C)sc4C)n3)c2C)C1 ZINC000015070868 555870559 /nfs/dbraw/zinc/87/05/59/555870559.db2.gz HBFYMZOVTZJXQU-IBGZPJMESA-N 0 0 480.638 4.037 50 0 JIAARN COc1cccc(C[C@]2(CCC(=O)NCc3cc(C(F)(F)F)ccc3F)CCC(=O)N2)c1 ZINC000011968638 555873051 /nfs/dbraw/zinc/87/30/51/555873051.db2.gz MQVGADIGRWEUCN-QFIPXVFZSA-N 0 0 452.448 4.141 50 0 JIAARN Cc1nc(SCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)n(C[C@@H]2CCCO2)c1C ZINC000022092496 555873232 /nfs/dbraw/zinc/87/32/32/555873232.db2.gz XACSTCPEKNQWIR-GBXCKJPGSA-N 0 0 473.639 4.446 50 0 JIAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)CS[C@H]4c3ccc4c(c3)OCO4)sc2c1 ZINC000015084872 555874891 /nfs/dbraw/zinc/87/48/91/555874891.db2.gz LUELBQYNMNYNEP-FQEVSTJZSA-N 0 0 466.544 4.302 50 0 JIAARN O=S(=O)(c1ccccc1Cl)N1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000015129178 555879180 /nfs/dbraw/zinc/87/91/80/555879180.db2.gz GQDKTDCFSNXXCF-UHFFFAOYSA-N 0 0 464.978 4.461 50 0 JIAARN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)O[C@@H](C)C(=O)c1c(C)[nH]c2ccccc21 ZINC000022125075 555879477 /nfs/dbraw/zinc/87/94/77/555879477.db2.gz WCCFRGPJGKTRNE-LAUBAEHRSA-N 0 0 452.576 4.451 50 0 JIAARN C[C@@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000022135406 555880710 /nfs/dbraw/zinc/88/07/10/555880710.db2.gz KHXIMJRRGZQRNR-LJQANCHMSA-N 0 0 456.995 4.451 50 0 JIAARN CCc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 ZINC000015180659 555882404 /nfs/dbraw/zinc/88/24/04/555882404.db2.gz JEEOHBJFEDLZEV-MRXNPFEDSA-N 0 0 478.998 4.261 50 0 JIAARN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1 ZINC000012003704 555883200 /nfs/dbraw/zinc/88/32/00/555883200.db2.gz KUCMHMQQOLKRGN-UHFFFAOYSA-N 0 0 456.907 4.451 50 0 JIAARN COc1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000015199483 555884165 /nfs/dbraw/zinc/88/41/65/555884165.db2.gz LSGYIPUSZCKTJO-YRNRMSPPSA-N 0 0 492.638 4.468 50 0 JIAARN O=C(Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCCC2)C12CC3CC(CC(C3)C1)C2 ZINC000012010174 555884620 /nfs/dbraw/zinc/88/46/20/555884620.db2.gz ISJXNBCTGQQSSK-UHFFFAOYSA-N 0 0 459.550 4.249 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)N2CN(c3cccc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000022216140 555885175 /nfs/dbraw/zinc/88/51/75/555885175.db2.gz ZPZBPUBKNNOSRH-UHFFFAOYSA-N 0 0 459.531 4.201 50 0 JIAARN C[C@@H](OC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000022219691 555885662 /nfs/dbraw/zinc/88/56/62/555885662.db2.gz RBXDLUYUBHUERR-QGZVFWFLSA-N 0 0 479.558 4.021 50 0 JIAARN O=C(NCCc1ccc(Br)s1)c1occc1CS(=O)(=O)c1ccccc1 ZINC000022226214 555885917 /nfs/dbraw/zinc/88/59/17/555885917.db2.gz KEUAIMKYNMWWOG-UHFFFAOYSA-N 0 0 454.367 4.050 50 0 JIAARN CCOC(=O)CCNC(=O)c1cnn(-c2ncc(C)c(-c3ccc(F)cc3)n2)c1-c1cccs1 ZINC000012036869 555889760 /nfs/dbraw/zinc/88/97/60/555889760.db2.gz BUMUMXNRTAKWOA-UHFFFAOYSA-N 0 0 479.537 4.188 50 0 JIAARN O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCC[C@@H](C(=O)c2cccnc2)C1 ZINC000012038746 555891524 /nfs/dbraw/zinc/89/15/24/555891524.db2.gz IKCMRIOCRYOUBQ-GIGWZHCTSA-N 0 0 469.585 4.328 50 0 JIAARN COc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)c(OC)c2)cc1OC ZINC000015275149 555891634 /nfs/dbraw/zinc/89/16/34/555891634.db2.gz JQCPSHUQGIGAIP-UHFFFAOYSA-N 0 0 492.553 4.395 50 0 JIAARN O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccccc1S(=O)(=O)C(F)F ZINC000012039376 555892347 /nfs/dbraw/zinc/89/23/47/555892347.db2.gz XDIQHYPWORFCSA-UHFFFAOYSA-N 0 0 456.521 4.009 50 0 JIAARN COCc1ccc(CN(C)Cc2nnc(SCc3ccccc3C)n2C[C@@H]2CCCO2)o1 ZINC000012041052 555893747 /nfs/dbraw/zinc/89/37/47/555893747.db2.gz MGMHQOSJKWAMTK-FQEVSTJZSA-N 0 0 456.612 4.429 50 0 JIAARN CC(C)Cn1c(=O)[nH]c(=O)c2c1NC(c1cccc(Cl)c1)=NC2(C(F)(F)F)C(F)(F)F ZINC000015304765 555894751 /nfs/dbraw/zinc/89/47/51/555894751.db2.gz HCRZJRGBHIRRLW-UHFFFAOYSA-N 0 0 468.785 4.038 50 0 JIAARN NC(=O)c1c2c(sc1NC(=O)CSc1nc(C(F)(F)F)nc3ccccc31)CCCC2 ZINC000022248178 555898653 /nfs/dbraw/zinc/89/86/53/555898653.db2.gz NIJLECHYTWFCBM-UHFFFAOYSA-N 0 0 466.510 4.419 50 0 JIAARN CCOC(=O)c1sc(NC(=O)c2cc(=O)c3cc(CC)ccc3o2)c(C(=O)OCC)c1C ZINC000012062516 555900043 /nfs/dbraw/zinc/90/00/43/555900043.db2.gz UMBAEUABQUFQCE-UHFFFAOYSA-N 0 0 457.504 4.331 50 0 JIAARN O=C(NCCn1ncc2c1ncn(Cc1ccc(F)cc1)c2=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000012071767 555901609 /nfs/dbraw/zinc/90/16/09/555901609.db2.gz XXCBKYYJTOKBAY-UHFFFAOYSA-N 0 0 493.970 4.062 50 0 JIAARN CCc1nc2cc(C(=O)N[C@@H]3CCOC(C)(C)C3)cc(NC(=O)c3ccccc3OC)c2n1C ZINC000012079359 555902794 /nfs/dbraw/zinc/90/27/94/555902794.db2.gz BVOUFDISMTYSSC-QGZVFWFLSA-N 0 0 464.566 4.084 50 0 JIAARN COc1ccc([C@H]2C(=O)N(c3ccc(OC)cc3OC)CC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000015412650 555904721 /nfs/dbraw/zinc/90/47/21/555904721.db2.gz IJWCJJVOUPEUJI-DEOSSOPVSA-N 0 0 466.921 4.487 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2)cc1 ZINC000015477179 555910513 /nfs/dbraw/zinc/91/05/13/555910513.db2.gz UPRACXDDZBIFLL-XMMPIXPASA-N 0 0 497.617 4.436 50 0 JIAARN C[C@H](Sc1nnc(CN2CCCC2)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012133536 555912272 /nfs/dbraw/zinc/91/22/72/555912272.db2.gz QEYVNBUWNMLPAE-ABVOBTCJSA-N 0 0 465.667 4.429 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000015544628 555914515 /nfs/dbraw/zinc/91/45/15/555914515.db2.gz NZALEXSCOLUMCL-UHFFFAOYSA-N 0 0 463.486 4.003 50 0 JIAARN CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1Br ZINC000012137983 555915601 /nfs/dbraw/zinc/91/56/01/555915601.db2.gz VENIZGURDFTLLT-INIZCTEOSA-N 0 0 461.356 4.397 50 0 JIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000012140082 555916741 /nfs/dbraw/zinc/91/67/41/555916741.db2.gz BMWSESKNJMHCMJ-OAHLLOKOSA-N 0 0 485.587 4.354 50 0 JIAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2c3ccccc3oc2C(=O)OCC)cc1 ZINC000012140111 555917005 /nfs/dbraw/zinc/91/70/05/555917005.db2.gz VLZZMQMDFVCINJ-UHFFFAOYSA-N 0 0 458.536 4.282 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000015587436 555917159 /nfs/dbraw/zinc/91/71/59/555917159.db2.gz ZRJYDZVQRBXWHH-UHFFFAOYSA-N 0 0 452.557 4.466 50 0 JIAARN Cc1ccc(CN(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000022298693 555918540 /nfs/dbraw/zinc/91/85/40/555918540.db2.gz DBUYFWCAGWFADY-UHFFFAOYSA-N 0 0 498.048 4.188 50 0 JIAARN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000022298870 555918576 /nfs/dbraw/zinc/91/85/76/555918576.db2.gz CRKDQAFCZHYHBJ-CQSZACIVSA-N 0 0 450.486 4.151 50 0 JIAARN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000015618400 555919725 /nfs/dbraw/zinc/91/97/25/555919725.db2.gz UQAZZYGUSKBRCA-ROUUACIJSA-N 0 0 486.590 4.011 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3cccc(Cl)c3Cl)c2)C[C@@H](C)O1 ZINC000015649286 555921944 /nfs/dbraw/zinc/92/19/44/555921944.db2.gz WCKIGQWCKYWCLQ-HUUCEWRRSA-N 0 0 471.406 4.064 50 0 JIAARN Cc1c(CCNC(=O)Cn2cc(NC(=O)c3ccco3)cn2)c2ccccc2n1-c1ccccc1 ZINC000012149933 555922215 /nfs/dbraw/zinc/92/22/15/555922215.db2.gz BQQAFIGRUJDFIT-UHFFFAOYSA-N 0 0 467.529 4.340 50 0 JIAARN COc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2[C@H](C)N2CCCCC2)cc1 ZINC000022333847 555922620 /nfs/dbraw/zinc/92/26/20/555922620.db2.gz BTSPRDHVRKNWBF-FQEVSTJZSA-N 0 0 479.650 4.274 50 0 JIAARN CCN(Cc1ccncc1)C(=O)c1cnn(-c2ncc3c(n2)-c2cc(OC)ccc2CC3)c1C1CC1 ZINC000012151836 555925143 /nfs/dbraw/zinc/92/51/43/555925143.db2.gz WAQCLYKEAUHFTB-UHFFFAOYSA-N 0 0 480.572 4.371 50 0 JIAARN Cc1nn(-c2nncc(-c3ccccc3)n2)c2c1[C@@H](c1ccccc1Br)CC(=O)N2 ZINC000015670343 555925611 /nfs/dbraw/zinc/92/56/11/555925611.db2.gz SEPOKODAZLCRAG-MRXNPFEDSA-N 0 0 461.323 4.269 50 0 JIAARN Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@H](c1cc(F)cc(F)c1)CC(=O)N2 ZINC000015670436 555926210 /nfs/dbraw/zinc/92/62/10/555926210.db2.gz HLEFBJOJCRPYKZ-KRWDZBQOSA-N 0 0 452.852 4.438 50 0 JIAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1=O ZINC000015670788 555927111 /nfs/dbraw/zinc/92/71/11/555927111.db2.gz FEEPFCJUQCYPQV-INIZCTEOSA-N 0 0 468.513 4.424 50 0 JIAARN CCOc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)ccc1OC ZINC000015670652 555927139 /nfs/dbraw/zinc/92/71/39/555927139.db2.gz LVQXMHADCCALCB-SFHVURJKSA-N 0 0 474.496 4.053 50 0 JIAARN C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000022376858 555927488 /nfs/dbraw/zinc/92/74/88/555927488.db2.gz MWEKKYWNANISQO-ACJLOTCBSA-N 0 0 471.804 4.133 50 0 JIAARN Cc1ccccc1[C@@]1(CC(=O)N2CCC(Cc3ccccc3)CC2)CC(=O)N(Cc2cccnc2)C1=O ZINC000012159915 555930327 /nfs/dbraw/zinc/93/03/27/555930327.db2.gz LCRIHYXDHBXPHE-WJOKGBTCSA-N 0 0 495.623 4.458 50 0 JIAARN Cc1ccc(-c2nc(COC(=O)C3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)cs2)cc1 ZINC000012179409 555934327 /nfs/dbraw/zinc/93/43/27/555934327.db2.gz FNSKNVBONFZMIW-UHFFFAOYSA-N 0 0 481.599 4.023 50 0 JIAARN CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(OCC(C)C)cc3)ccc21 ZINC000012180463 555934909 /nfs/dbraw/zinc/93/49/09/555934909.db2.gz RCSUUFXGCVPHJW-UHFFFAOYSA-N 0 0 466.625 4.015 50 0 JIAARN COc1ccc(OC2CCN(C(=O)CC[C@]3(Cc4ccc(Cl)cc4)CCC(=O)N3)CC2)cc1 ZINC000012184577 555936337 /nfs/dbraw/zinc/93/63/37/555936337.db2.gz IRKLKGPWDTWNBN-SANMLTNESA-N 0 0 470.997 4.390 50 0 JIAARN Cc1ccccc1[C@@]1(CC(=O)N2CCC[C@H]2c2ccc(F)cc2)CC(=O)N(Cc2cccnc2)C1=O ZINC000012191302 555938863 /nfs/dbraw/zinc/93/88/63/555938863.db2.gz MSCDTFJYSKQQGS-ABYGYWHVSA-N 0 0 485.559 4.480 50 0 JIAARN CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)ccc3C)C2)cc1 ZINC000015677857 555942110 /nfs/dbraw/zinc/94/21/10/555942110.db2.gz ANRWYVNTCAKMPH-HXUWFJFHSA-N 0 0 459.612 4.124 50 0 JIAARN COCC(=O)Nc1cc2nc(C3CCC3)n(C)c2c(C(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)c1 ZINC000012241136 555945300 /nfs/dbraw/zinc/94/53/00/555945300.db2.gz ARKRUXZIDKJFGV-HXUWFJFHSA-N 0 0 488.588 4.161 50 0 JIAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1CC(=O)Nc1ccc(OC)cc1)CCCC3 ZINC000015680389 555948393 /nfs/dbraw/zinc/94/83/93/555948393.db2.gz LNVYSSGHAHLWJZ-UHFFFAOYSA-N 0 0 469.563 4.364 50 0 JIAARN COc1cc(OC)c(OC)cc1CN1CCOc2ccc([C@@](C)(O)COc3ccccc3)cc2C1 ZINC000012283437 555948720 /nfs/dbraw/zinc/94/87/20/555948720.db2.gz JYXLVTDUTZOKDN-NDEPHWFRSA-N 0 0 479.573 4.394 50 0 JIAARN 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COc1ccc(CN2CCN(Cc3nc4sc(-c5ccccc5)cc4c(=O)[nH]3)CC2)cc1F ZINC000022919177 555972863 /nfs/dbraw/zinc/97/28/63/555972863.db2.gz OKMRJQZDPJALHU-UHFFFAOYSA-N 0 0 464.566 4.117 50 0 JIAARN CCOC(=O)c1c(NC(=O)[C@@H](C)N2CCN(Cc3ccccc3)CC2)sc2c1CC[C@@H](C)C2 ZINC000022920709 555974621 /nfs/dbraw/zinc/97/46/21/555974621.db2.gz MIKSVMKRCAABTA-RTBURBONSA-N 0 0 469.651 4.194 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000022920845 555974821 /nfs/dbraw/zinc/97/48/21/555974821.db2.gz FBLYJVKTJDEHJQ-MUUNZHRXSA-N 0 0 468.601 4.191 50 0 JIAARN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022921639 555975491 /nfs/dbraw/zinc/97/54/91/555975491.db2.gz HHKUZABLKZZXPL-OAQYLSRUSA-N 0 0 491.035 4.190 50 0 JIAARN CC(C)Cc1nn(-c2ccccc2)cc1/C=C1\SC(=N)N(c2nonc2-n2cccc2)C1=O ZINC000012401489 555975615 /nfs/dbraw/zinc/97/56/15/555975615.db2.gz JFXAINSPCLMART-NNEFMJQDSA-N 0 0 459.535 4.300 50 0 JIAARN Cc1nc2ccc(S(=O)(=O)N(CC(=O)N3CCC(C)CC3)Cc3ccccc3)cc2s1 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JIAARN COc1ccccc1Nc1nc(N)nc(CSCc2nc(-c3cccc(Cl)c3)no2)n1 ZINC000012528658 555997181 /nfs/dbraw/zinc/99/71/81/555997181.db2.gz LDHPIPMWKZISFC-UHFFFAOYSA-N 0 0 455.931 4.343 50 0 JIAARN C[C@@H](NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000012528782 555997552 /nfs/dbraw/zinc/99/75/52/555997552.db2.gz PEXXFLJFCMEMAV-KNEUKCCGSA-N 0 0 474.598 4.331 50 0 JIAARN Cc1c2nc(N(CCCN3CCOCC3)C(=O)[C@@H]3COc4ccccc4O3)sc2ccc1Cl ZINC000022997949 555998020 /nfs/dbraw/zinc/99/80/20/555998020.db2.gz UXWGHMUVPVVRDY-FQEVSTJZSA-N 0 0 488.009 4.153 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C(=O)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1-c1ccccc1 ZINC000022998037 555998035 /nfs/dbraw/zinc/99/80/35/555998035.db2.gz QXUZMLFYZOGLFR-UHFFFAOYSA-N 0 0 479.964 4.352 50 0 JIAARN O=C(c1nc2ccccc2s1)N(CCN1CCOCC1)c1nc2c(cc(F)cc2F)s1 ZINC000022998587 555998576 /nfs/dbraw/zinc/99/85/76/555998576.db2.gz CITOZVSPHBCDJS-UHFFFAOYSA-N 0 0 460.531 4.163 50 0 JIAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccc(N4CCCC4=O)cc3)nc2n1 ZINC000023004127 555999585 /nfs/dbraw/zinc/99/95/85/555999585.db2.gz QGCGBBYMYQWLGZ-UHFFFAOYSA-N 0 0 472.574 4.413 50 0 JIAARN COc1ccc(CCC(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000015780983 555999833 /nfs/dbraw/zinc/99/98/33/555999833.db2.gz ZSSGYQBQYHSSPQ-QFIPXVFZSA-N 0 0 461.580 4.468 50 0 JIAARN COc1cc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc(Cl)c1OCCC(C)C ZINC000023011768 555999859 /nfs/dbraw/zinc/99/98/59/555999859.db2.gz NJSSSADFXROUEY-UHFFFAOYSA-N 0 0 490.000 4.297 50 0 JIAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000023011576 555999892 /nfs/dbraw/zinc/99/98/92/555999892.db2.gz WLKMLWRBBQWJET-UHFFFAOYSA-N 0 0 473.451 4.488 50 0 JIAARN CCOc1ccc(C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(F)c(C)c2)cc1OCC ZINC000015781282 556000199 /nfs/dbraw/zinc/00/01/99/556000199.db2.gz NQDMAKFITJXSJV-HSZRJFAPSA-N 0 0 475.538 4.470 50 0 JIAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N32)cc1Cl ZINC000015783320 556001363 /nfs/dbraw/zinc/00/13/63/556001363.db2.gz 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O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023935943 556102423 /nfs/dbraw/zinc/10/24/23/556102423.db2.gz OITJQWIZMHVRSF-JOCHJYFZSA-N 0 0 482.506 4.310 50 0 JIAARN CCOc1ccc([C@]2(C)NC(=O)N(CN3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000023936325 556102618 /nfs/dbraw/zinc/10/26/18/556102618.db2.gz FDKSYBLQXRVMSI-VWLOTQADSA-N 0 0 464.591 4.299 50 0 JIAARN CC[C@@H](c1nnc(SCC(=O)c2ccc3[nH]c(=O)oc3c2)n1Cc1ccccc1)N(C)C ZINC000023936728 556103074 /nfs/dbraw/zinc/10/30/74/556103074.db2.gz ILIBTZLUSWEMSY-SFHVURJKSA-N 0 0 451.552 4.161 50 0 JIAARN COc1ccc(Cl)cc1CN(C)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000023955655 556104013 /nfs/dbraw/zinc/10/40/13/556104013.db2.gz KYSXHFOLUSJJPS-AREMUKBSSA-N 0 0 463.965 4.428 50 0 JIAARN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016000270 556105033 /nfs/dbraw/zinc/10/50/33/556105033.db2.gz ZLTDJHBOQGFQHN-DDOIHHOZSA-N 0 0 490.774 4.386 50 0 JIAARN CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2cc3c(cc2Br)OCCO3)cc1 ZINC000016008728 556107805 /nfs/dbraw/zinc/10/78/05/556107805.db2.gz FYRLVWUMOIRTRP-UHFFFAOYSA-N 0 0 461.356 4.276 50 0 JIAARN O=S(=O)(c1ccc(SCc2cc(-c3ccco3)on2)nc1)N1CCN(Cc2ccccc2)CC1 ZINC000023983158 556110682 /nfs/dbraw/zinc/11/06/82/556110682.db2.gz CNGAWMGMZDQXJY-UHFFFAOYSA-N 0 0 496.614 4.128 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(SCc1ccc(Cl)cc1Cl)n(C[C@@H](C)O)c2=O ZINC000012773921 556110812 /nfs/dbraw/zinc/11/08/12/556110812.db2.gz JDQYEMYFEIYGMQ-LLVKDONJSA-N 0 0 453.347 4.163 50 0 JIAARN O=C(NCc1ccccc1CN1CCOCC1)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000023983703 556111788 /nfs/dbraw/zinc/11/17/88/556111788.db2.gz UMGDCLBDYREAGG-UHFFFAOYSA-N 0 0 472.614 4.422 50 0 JIAARN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012799049 556113924 /nfs/dbraw/zinc/11/39/24/556113924.db2.gz XOTPLDGQGUTUEG-UHFFFAOYSA-N 0 0 472.636 4.043 50 0 JIAARN CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cc3ccccc3cc2OC)CC1 ZINC000012843063 556116461 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556135867 /nfs/dbraw/zinc/13/58/67/556135867.db2.gz PJVCFAYXHXLPHI-IBGZPJMESA-N 0 0 488.635 4.056 50 0 JIAARN C[C@@H](c1nc2ccccc2s1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000024572749 556136130 /nfs/dbraw/zinc/13/61/30/556136130.db2.gz AQTSZWCQPLKERD-INIZCTEOSA-N 0 0 451.983 4.379 50 0 JIAARN COc1ccc(NC(=O)[C@@H](C)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1Cl ZINC000012920328 556139007 /nfs/dbraw/zinc/13/90/07/556139007.db2.gz CJLLWMPZCCBWNC-CQSZACIVSA-N 0 0 456.896 4.302 50 0 JIAARN CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608778 556139893 /nfs/dbraw/zinc/13/98/93/556139893.db2.gz AKWOKASPVUTQCX-UHFFFAOYSA-N 0 0 492.041 4.049 50 0 JIAARN O=c1c2c(-c3ccccc3)csc2ncn1C[C@H](O)COc1ccc(Br)cc1 ZINC000012921523 556140218 /nfs/dbraw/zinc/14/02/18/556140218.db2.gz OWWMUAXGGFRYJY-INIZCTEOSA-N 0 0 457.349 4.327 50 0 JIAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000024609331 556140229 /nfs/dbraw/zinc/14/02/29/556140229.db2.gz WHAXTDPVDQOMIP-UHFFFAOYSA-N 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COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 ZINC000012926195 556144564 /nfs/dbraw/zinc/14/45/64/556144564.db2.gz GLOXIJQCWVRQAJ-DEOSSOPVSA-N 0 0 486.634 4.085 50 0 JIAARN CN(C[C@H]1COc2ccccc2O1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000024660730 556144700 /nfs/dbraw/zinc/14/47/00/556144700.db2.gz MQXRGLFBOJOUPV-HNNXBMFYSA-N 0 0 451.832 4.457 50 0 JIAARN O=C(NCc1cn[nH]c1)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 ZINC000012926997 556145220 /nfs/dbraw/zinc/14/52/20/556145220.db2.gz ICZVEYGLZPZJQA-UHFFFAOYSA-N 0 0 480.977 4.389 50 0 JIAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1ccc2ccccc2c1 ZINC000012931824 556148195 /nfs/dbraw/zinc/14/81/95/556148195.db2.gz UQBLYZRJSJHQBT-INIZCTEOSA-N 0 0 458.530 4.396 50 0 JIAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000012933343 556149268 /nfs/dbraw/zinc/14/92/68/556149268.db2.gz QTXHUKIEAPWYKJ-GFCCVEGCSA-N 0 0 451.470 4.239 50 0 JIAARN CN(CC(=O)Nc1ccccc1Br)C(=O)CCc1ncc(-c2ccccc2F)o1 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PARUGQOTZYISRU-UHFFFAOYSA-N 0 0 495.329 4.388 50 0 JIAARN O=C(CSc1n[nH]c(=O)c2cc(-c3ccco3)nn21)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000016844479 556166457 /nfs/dbraw/zinc/16/64/57/556166457.db2.gz WOPXZBWEDVEDIK-UHFFFAOYSA-N 0 0 469.832 4.081 50 0 JIAARN Cc1ccc2c(c1)N(C(=O)CSc1nc3c(-c4ccccc4)csc3c(=O)n1C)CCO2 ZINC000016845004 556166680 /nfs/dbraw/zinc/16/66/80/556166680.db2.gz GIMNVPBFAYVBTH-UHFFFAOYSA-N 0 0 463.584 4.488 50 0 JIAARN Cc1cc(C)n(CCCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000012975086 556166958 /nfs/dbraw/zinc/16/69/58/556166958.db2.gz YJJNPYHTAIDJED-UHFFFAOYSA-N 0 0 482.650 4.096 50 0 JIAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(-n4cncn4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000024979390 556167751 /nfs/dbraw/zinc/16/77/51/556167751.db2.gz VEZMLOCVKLILPK-RPLLCQBOSA-N 0 0 497.555 4.408 50 0 JIAARN CCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000024982265 556168600 /nfs/dbraw/zinc/16/86/00/556168600.db2.gz GICRQXBPBVEZBW-NDEPHWFRSA-N 0 0 469.541 4.298 50 0 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/nfs/dbraw/zinc/17/61/11/556176111.db2.gz XEDHYXOJJKIVIZ-SFTDATJTSA-N 0 0 495.670 4.496 50 0 JIAARN O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012984693 556178262 /nfs/dbraw/zinc/17/82/62/556178262.db2.gz DZJHTVYSQXJCQJ-OAHLLOKOSA-N 0 0 458.761 4.400 50 0 JIAARN Cc1ccc(-c2nnc(SCC(=O)N(C)c3ccccc3C(=O)NCc3ccco3)o2)cc1 ZINC000012984863 556178494 /nfs/dbraw/zinc/17/84/94/556178494.db2.gz KPFXIMANFSFIMU-UHFFFAOYSA-N 0 0 462.531 4.323 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2cccc(Br)c2)C2CC2)c1 ZINC000025093948 556179127 /nfs/dbraw/zinc/17/91/27/556179127.db2.gz BWZZZFXUPXSPHH-UHFFFAOYSA-N 0 0 471.804 4.158 50 0 JIAARN CC(C)n1ncc2cc(NC(=O)[C@@]34CCC(=O)N3c3ccccc3C(=O)N4Cc3ccccc3)cnc21 ZINC000012986009 556179935 /nfs/dbraw/zinc/17/99/35/556179935.db2.gz RRFWTHIPMLKCQX-MUUNZHRXSA-N 0 0 494.555 4.130 50 0 JIAARN CN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)CC(=O)Nc1ccccc1Cl ZINC000012986356 556180210 /nfs/dbraw/zinc/18/02/10/556180210.db2.gz ZOIHIVMOXLIPHZ-UHFFFAOYSA-N 0 0 450.898 4.251 50 0 JIAARN Cc1cc(CN(C)C(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)no1 ZINC000025136304 556180309 /nfs/dbraw/zinc/18/03/09/556180309.db2.gz LKDORGZCEVTMIS-UHFFFAOYSA-N 0 0 468.362 4.292 50 0 JIAARN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000012991949 556184399 /nfs/dbraw/zinc/18/43/99/556184399.db2.gz FTNDGKYKPTTWEG-MRXNPFEDSA-N 0 0 486.977 4.427 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCn1c(=O)oc2cc(Cl)ccc21 ZINC000012993340 556185705 /nfs/dbraw/zinc/18/57/05/556185705.db2.gz NJOWNHQHRLVVAY-UHFFFAOYSA-N 0 0 456.713 4.042 50 0 JIAARN CN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)CC(=O)Nc1ccc(Cl)cc1 ZINC000012994635 556187143 /nfs/dbraw/zinc/18/71/43/556187143.db2.gz AKBFDYLEKQDDQS-UHFFFAOYSA-N 0 0 450.898 4.251 50 0 JIAARN O=C(c1c(F)cccc1F)N1CCN(c2nc3nccc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 ZINC000025151540 556192416 /nfs/dbraw/zinc/19/24/16/556192416.db2.gz JYXLFZXFDNKJIE-UHFFFAOYSA-N 0 0 488.420 4.051 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(F)c(Cl)c1 ZINC000013002018 556195005 /nfs/dbraw/zinc/19/50/05/556195005.db2.gz ZVSXOKTUBDVUQT-UHFFFAOYSA-N 0 0 470.950 4.070 50 0 JIAARN COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(Br)cc3)s2)cc1OC ZINC000016991975 556195862 /nfs/dbraw/zinc/19/58/62/556195862.db2.gz HUVPKKULABECEM-UHFFFAOYSA-N 0 0 497.436 4.419 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(F)cc2)cc1C ZINC000017011363 556201082 /nfs/dbraw/zinc/20/10/82/556201082.db2.gz VUCFARPGSRFPGZ-UHFFFAOYSA-N 0 0 490.578 4.085 50 0 JIAARN COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4ccc(Br)cc4)CC3)n2)cc1 ZINC000017012274 556202484 /nfs/dbraw/zinc/20/24/84/556202484.db2.gz GKFKIQKLCLMZNO-UHFFFAOYSA-N 0 0 482.382 4.262 50 0 JIAARN Cc1nc2ccc(S(=O)(=O)Nc3ccc(Nc4nc(C)cc(N(C)C)n4)cc3)cc2s1 ZINC000017013826 556203857 /nfs/dbraw/zinc/20/38/57/556203857.db2.gz YYJXSFTXQUSTJJ-UHFFFAOYSA-N 0 0 454.581 4.314 50 0 JIAARN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CCN(c3ccccn3)C[C@@H]12 ZINC000025184453 556204074 /nfs/dbraw/zinc/20/40/74/556204074.db2.gz FDKNVVGJYKWZAB-BVAGGSTKSA-N 0 0 457.965 4.395 50 0 JIAARN COc1cn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(CSc2nc(C)cc(C)n2)cc1=O ZINC000017014043 556204320 /nfs/dbraw/zinc/20/43/20/556204320.db2.gz MFBRNMIXXXEJIP-UHFFFAOYSA-N 0 0 494.495 4.093 50 0 JIAARN O=C(Nc1nnc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000013014090 556205235 /nfs/dbraw/zinc/20/52/35/556205235.db2.gz JFRDRJUQMOGVEX-UHFFFAOYSA-N 0 0 481.361 4.083 50 0 JIAARN COc1ccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(C)cc2C)c(OC)c1 ZINC000017026124 556205795 /nfs/dbraw/zinc/20/57/95/556205795.db2.gz XEJBNCNVRBBZKP-UHFFFAOYSA-N 0 0 483.532 4.196 50 0 JIAARN CS(=O)(=O)Nc1cccc(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)c1 ZINC000025240083 556205821 /nfs/dbraw/zinc/20/58/21/556205821.db2.gz CTWHLLDRIKJABJ-UHFFFAOYSA-N 0 0 465.506 4.449 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(F)cc2)c1 ZINC000017026576 556206554 /nfs/dbraw/zinc/20/65/54/556206554.db2.gz MQRVONLPFJFJLF-UHFFFAOYSA-N 0 0 474.579 4.385 50 0 JIAARN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cc(Cl)cc(Cl)c1OC(F)F ZINC000025323579 556208394 /nfs/dbraw/zinc/20/83/94/556208394.db2.gz GCBKSKATZSVPQQ-UHFFFAOYSA-N 0 0 481.304 4.337 50 0 JIAARN Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1 ZINC000025325499 556208651 /nfs/dbraw/zinc/20/86/51/556208651.db2.gz KAENXXZAGKLXOC-UHFFFAOYSA-N 0 0 476.602 4.373 50 0 JIAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000013017029 556209379 /nfs/dbraw/zinc/20/93/79/556209379.db2.gz DEMJWSXSLQXESX-UHFFFAOYSA-N 0 0 496.611 4.444 50 0 JIAARN COc1ccc(-c2cc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)ccc2OC)cc1 ZINC000025346787 556210197 /nfs/dbraw/zinc/21/01/97/556210197.db2.gz NCKUPAANAQOWLB-SFHVURJKSA-N 0 0 486.615 4.472 50 0 JIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)NC(=O)NC1CCCCC1 ZINC000025387648 556211224 /nfs/dbraw/zinc/21/12/24/556211224.db2.gz YPEWKFVTCQMXHG-QGZVFWFLSA-N 0 0 464.591 4.084 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(C)cc3)cc(C(=O)NCCc3ccccc3)c12 ZINC000017051392 556212657 /nfs/dbraw/zinc/21/26/57/556212657.db2.gz YXZZAFOQGPNJDL-QFIPXVFZSA-N 0 0 488.613 4.047 50 0 JIAARN Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000017052558 556213440 /nfs/dbraw/zinc/21/34/40/556213440.db2.gz XNADPSBPCZMCNQ-VWLOTQADSA-N 0 0 475.564 4.465 50 0 JIAARN O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000017054081 556214011 /nfs/dbraw/zinc/21/40/11/556214011.db2.gz CJZAKLRFLQSGFQ-UHFFFAOYSA-N 0 0 482.414 4.264 50 0 JIAARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000025467140 556217237 /nfs/dbraw/zinc/21/72/37/556217237.db2.gz KMZJZDVJIKULTN-CQSZACIVSA-N 0 0 453.593 4.262 50 0 JIAARN CC(C)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Cl)s3)c(N)n2)cc1 ZINC000017113650 556218609 /nfs/dbraw/zinc/21/86/09/556218609.db2.gz XPBVUDLFHBVTGL-UHFFFAOYSA-N 0 0 483.040 4.461 50 0 JIAARN COc1cccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(C)c(F)c4)c3C)c(C)o2)c1OC ZINC000017121132 556219163 /nfs/dbraw/zinc/21/91/63/556219163.db2.gz IJUQPORQKQVXGT-UHFFFAOYSA-N 0 0 465.485 4.315 50 0 JIAARN Cc1cc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)n1C1CC1 ZINC000017131170 556221343 /nfs/dbraw/zinc/22/13/43/556221343.db2.gz MBWYFLYENPKQEB-UHFFFAOYSA-N 0 0 465.472 4.091 50 0 JIAARN COc1ccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2cccc(C)c2C)cc1OC ZINC000017135751 556222883 /nfs/dbraw/zinc/22/28/83/556222883.db2.gz JMESPHPZZDMDBC-UHFFFAOYSA-N 0 0 483.532 4.196 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000013030283 556225376 /nfs/dbraw/zinc/22/53/76/556225376.db2.gz LDUDRZGPSVLYLF-CQSZACIVSA-N 0 0 452.780 4.159 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000013030275 556225385 /nfs/dbraw/zinc/22/53/85/556225385.db2.gz GCBWQMSKTUYBAZ-CQSZACIVSA-N 0 0 452.780 4.159 50 0 JIAARN Cc1ccc(-c2nc(CC(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)cs2)cc1 ZINC000025609130 556227454 /nfs/dbraw/zinc/22/74/54/556227454.db2.gz CCMQRQJPWZZSJE-UHFFFAOYSA-N 0 0 465.604 4.117 50 0 JIAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 ZINC000013031966 556229952 /nfs/dbraw/zinc/22/99/52/556229952.db2.gz RIDJQHGXBCDOIC-CRAIPNDOSA-N 0 0 469.994 4.299 50 0 JIAARN COc1cccc(C(=O)NN2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000017167482 556230346 /nfs/dbraw/zinc/23/03/46/556230346.db2.gz AVWAARJGOXGXKN-OJJQZRKESA-N 0 0 452.510 4.079 50 0 JIAARN O=C(Cn1nc(-c2ccccc2)c2sc(N3CCOCC3)nc2c1=O)c1ccc2c(c1)CCCC2 ZINC000013037138 556232600 /nfs/dbraw/zinc/23/26/00/556232600.db2.gz HJAXFMDGECXILN-UHFFFAOYSA-N 0 0 486.597 4.118 50 0 JIAARN O=C(CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[nH]1)N1CCC(Cc2ccccc2)CC1 ZINC000017178698 556233096 /nfs/dbraw/zinc/23/30/96/556233096.db2.gz GDQYNVMXUSBYCO-UHFFFAOYSA-N 0 0 477.565 4.234 50 0 JIAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)c1ccc(C(=O)c2ccccc2)cc1 ZINC000017178313 556233238 /nfs/dbraw/zinc/23/32/38/556233238.db2.gz JJGUSDIGJDTJCR-UHFFFAOYSA-N 0 0 491.956 4.437 50 0 JIAARN O=C(NCCc1ccccc1)c1cn(Cc2ccc(F)cc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000017178945 556233808 /nfs/dbraw/zinc/23/38/08/556233808.db2.gz CCAWRFCKCWVQJQ-UHFFFAOYSA-N 0 0 466.516 4.299 50 0 JIAARN Cc1nn(C)c(C)c1CCC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 ZINC000025803897 556236864 /nfs/dbraw/zinc/23/68/64/556236864.db2.gz JSVMCVWGTZTDQR-UHFFFAOYSA-N 0 0 466.607 4.118 50 0 JIAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000017191204 556236995 /nfs/dbraw/zinc/23/69/95/556236995.db2.gz SXWINYBJLQUQMT-UHFFFAOYSA-N 0 0 456.951 4.499 50 0 JIAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000013039003 556238836 /nfs/dbraw/zinc/23/88/36/556238836.db2.gz MVJBFMLCULQNJU-UHFFFAOYSA-N 0 0 457.880 4.364 50 0 JIAARN CCc1ccccc1-n1cnnc1SCC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000025947743 556239223 /nfs/dbraw/zinc/23/92/23/556239223.db2.gz OJCGCYMDZSYGLN-UHFFFAOYSA-N 0 0 489.567 4.285 50 0 JIAARN O=C([C@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000025965209 556239585 /nfs/dbraw/zinc/23/95/85/556239585.db2.gz MFBVGLYLAKKZDZ-KRWDZBQOSA-N 0 0 465.903 4.056 50 0 JIAARN CC(C)OCCCn1c(=O)c2ccccc2nc1SCc1cc(=O)oc2cc(O)ccc12 ZINC000013039422 556240428 /nfs/dbraw/zinc/24/04/28/556240428.db2.gz ATYKFSBIOOTEDN-UHFFFAOYSA-N 0 0 452.532 4.316 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)cc2)cc1 ZINC000013039765 556241270 /nfs/dbraw/zinc/24/12/70/556241270.db2.gz ZWBJCEAFBWZDSE-UHFFFAOYSA-N 0 0 498.048 4.432 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4scc(-c5ccccc5)c43)CC2)cc1 ZINC000013040713 556244466 /nfs/dbraw/zinc/24/44/66/556244466.db2.gz YTKBFKNYJLOFDA-UHFFFAOYSA-N 0 0 464.616 4.486 50 0 JIAARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccccc4OC)nn32)c1 ZINC000017243665 556244758 /nfs/dbraw/zinc/24/47/58/556244758.db2.gz BJYJNDRZITWXMG-XMMPIXPASA-N 0 0 498.543 4.294 50 0 JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccncc3)nn2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000017243891 556245365 /nfs/dbraw/zinc/24/53/65/556245365.db2.gz BZAIXORXPYROCB-XMMPIXPASA-N 0 0 498.543 4.294 50 0 JIAARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)sc2c1 ZINC000017244900 556245639 /nfs/dbraw/zinc/24/56/39/556245639.db2.gz IXEYZMYPWVJJRT-GASCZTMLSA-N 0 0 486.619 4.174 50 0 JIAARN CN(CC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000026228957 556251138 /nfs/dbraw/zinc/25/11/38/556251138.db2.gz WKIIORFIGJYSNH-QFIPXVFZSA-N 0 0 456.571 4.235 50 0 JIAARN CC[C@@H](C)c1ccc(N2C(=S)N[C@H](c3ccc(OC)c(O)c3)C(C(=O)N3CCOCC3)=C2C)cc1 ZINC000013056582 556251222 /nfs/dbraw/zinc/25/12/22/556251222.db2.gz RAZMFLPTFKPVFC-CRICUBBOSA-N 0 0 495.645 4.483 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc(C(F)(F)F)c1)n2C ZINC000013057996 556253241 /nfs/dbraw/zinc/25/32/41/556253241.db2.gz FGGXTMMPWCGXFV-UHFFFAOYSA-N 0 0 482.528 4.194 50 0 JIAARN CC(C)CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000013058963 556254557 /nfs/dbraw/zinc/25/45/57/556254557.db2.gz LPWRUMFFIKGXET-UHFFFAOYSA-N 0 0 484.540 4.277 50 0 JIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000026530659 556255399 /nfs/dbraw/zinc/25/53/99/556255399.db2.gz IUQGYDAHXLBJLR-UHFFFAOYSA-N 0 0 455.002 4.306 50 0 JIAARN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCN(c2ccccc2O)CC1 ZINC000026526172 556255467 /nfs/dbraw/zinc/25/54/67/556255467.db2.gz QLMYALLOZQTNGE-QFIPXVFZSA-N 0 0 463.965 4.256 50 0 JIAARN CCOc1ccc(NC(=O)CSc2cn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc23)cc1 ZINC000017307870 556255664 /nfs/dbraw/zinc/25/56/64/556255664.db2.gz VSVGWCDTJWLZOB-RTBURBONSA-N 0 0 481.618 4.407 50 0 JIAARN CCCCn1c(CCC(=O)Nc2cccc(C)c2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000013059834 556255692 /nfs/dbraw/zinc/25/56/92/556255692.db2.gz CXMMFWFFLNLXNP-UHFFFAOYSA-N 0 0 456.612 4.275 50 0 JIAARN CC(C)Cn1c(SCC(=O)NCCC(c2ccccc2)c2ccccc2)nnc1N1CCOCC1 ZINC000026663482 556258826 /nfs/dbraw/zinc/25/88/26/556258826.db2.gz DXFRJLBLTSVPEH-UHFFFAOYSA-N 0 0 493.677 4.201 50 0 JIAARN COc1ccc2c(C)cc3nnc(SCC(=O)N4CCC[C@H]4c4ccc5c(c4)OCCO5)n3c2c1 ZINC000013063273 556259607 /nfs/dbraw/zinc/25/96/07/556259607.db2.gz IUAQAFLNZUZPRW-FQEVSTJZSA-N 0 0 490.585 4.427 50 0 JIAARN Cc1ccc(OCc2nc3ccccc3n2CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000013063559 556260518 /nfs/dbraw/zinc/26/05/18/556260518.db2.gz CIJZNCVECMYMDN-UHFFFAOYSA-N 0 0 490.629 4.196 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000017748051 556265846 /nfs/dbraw/zinc/26/58/46/556265846.db2.gz NVVYWBRQNCSEBT-UHFFFAOYSA-N 0 0 471.934 4.028 50 0 JIAARN NC(=O)N[C@H](CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(Oc2ccccc2)c1 ZINC000026908187 556265873 /nfs/dbraw/zinc/26/58/73/556265873.db2.gz VSLAAYWMDFIHSA-HSZRJFAPSA-N 0 0 458.518 4.344 50 0 JIAARN O=C(CN1CCN(C(=S)Nc2ccccc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013069643 556266449 /nfs/dbraw/zinc/26/64/49/556266449.db2.gz CTTTWEWCNNURPQ-UHFFFAOYSA-N 0 0 456.921 4.312 50 0 JIAARN COc1ccc(C(=O)N(C)c2nc3ccccc3s2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000026958179 556266510 /nfs/dbraw/zinc/26/65/10/556266510.db2.gz KZIQZLWTYFLBSP-IYBDPMFKSA-N 0 0 473.620 4.248 50 0 JIAARN Cc1cc(Cl)cc2sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)nc21 ZINC000017859022 556269107 /nfs/dbraw/zinc/26/91/07/556269107.db2.gz JKWSHLSPBIADBM-OKILXGFUSA-N 0 0 480.011 4.308 50 0 JIAARN COc1cc(Br)c(CC(=O)OCC(=O)c2cc(C)n(-c3nccs3)c2C)cc1OC ZINC000017894602 556270396 /nfs/dbraw/zinc/27/03/96/556270396.db2.gz PQEGSKOIQGBSIX-UHFFFAOYSA-N 0 0 493.379 4.299 50 0 JIAARN Cc1ccc(-c2nn(CN3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)c(=S)[nH]2)cc1 ZINC000013072834 556271823 /nfs/dbraw/zinc/27/18/23/556271823.db2.gz XFMIJKMOPUXWKC-UHFFFAOYSA-N 0 0 471.652 4.004 50 0 JIAARN CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000013073080 556272085 /nfs/dbraw/zinc/27/20/85/556272085.db2.gz VOAATXQGIKKVPP-IAGOWNOFSA-N 0 0 472.538 4.235 50 0 JIAARN CN(C)[C@@H](CNc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)c1ccccc1Cl ZINC000013072918 556272134 /nfs/dbraw/zinc/27/21/34/556272134.db2.gz MFBMNTNNAGQKQJ-IBGZPJMESA-N 0 0 472.058 4.380 50 0 JIAARN O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cc2ccccc2oc1=O)Nc1ccc(Cl)cc1 ZINC000027025867 556272597 /nfs/dbraw/zinc/27/25/97/556272597.db2.gz HPBHPTSDFFFPTB-OAQYLSRUSA-N 0 0 487.899 4.443 50 0 JIAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(CCNC(=O)c2ccccc2Cl)s1 ZINC000017971199 556273851 /nfs/dbraw/zinc/27/38/51/556273851.db2.gz PUNZTPRGCFQYAC-UHFFFAOYSA-N 0 0 467.938 4.380 50 0 JIAARN Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)c1 ZINC000013074339 556275283 /nfs/dbraw/zinc/27/52/83/556275283.db2.gz QFPUIFJSQBLVSE-QGZVFWFLSA-N 0 0 470.522 4.427 50 0 JIAARN C[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018009248 556275889 /nfs/dbraw/zinc/27/58/89/556275889.db2.gz KLAUTQVJORACER-NZJUZQPCSA-N 0 0 499.950 4.347 50 0 JIAARN Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)no1 ZINC000027372273 556277299 /nfs/dbraw/zinc/27/72/99/556277299.db2.gz YPJUTUUHLHGOJY-OAQYLSRUSA-N 0 0 459.472 4.289 50 0 JIAARN O=c1oc2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2s1 ZINC000027470424 556279339 /nfs/dbraw/zinc/27/93/39/556279339.db2.gz UHBKPFWYAHAMBZ-UHFFFAOYSA-N 0 0 466.128 4.147 50 0 biogenic JIAARN CC(=O)c1cccc(NC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000027469822 556279354 /nfs/dbraw/zinc/27/93/54/556279354.db2.gz LSRWGTQUTVRKBA-UHFFFAOYSA-N 0 0 469.607 4.306 50 0 JIAARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000018057181 556281179 /nfs/dbraw/zinc/28/11/79/556281179.db2.gz JMFMTIDPAFEIIF-VSKRKVRLSA-N 0 0 495.329 4.214 50 0 JIAARN COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc(OC)c1OC ZINC000018080990 556284710 /nfs/dbraw/zinc/28/47/10/556284710.db2.gz RCRXMLUHTZJIIZ-OYRHQHFDSA-N 0 0 474.513 4.072 50 0 JIAARN O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000018117103 556289928 /nfs/dbraw/zinc/28/99/28/556289928.db2.gz FDYSCGUNWJGPCR-ODAXIHTASA-N 0 0 473.891 4.241 50 0 JIAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000018119078 556289936 /nfs/dbraw/zinc/28/99/36/556289936.db2.gz BDSFHGRANSJLTQ-OKILXGFUSA-N 0 0 462.955 4.445 50 0 JIAARN CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000018156826 556295950 /nfs/dbraw/zinc/29/59/50/556295950.db2.gz MTDIEHBCKYMPKM-UHFFFAOYSA-N 0 0 476.913 4.281 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)NC(=O)NC3CCCC3)n2C2CCCCC2)cc1 ZINC000013098796 556298326 /nfs/dbraw/zinc/29/83/26/556298326.db2.gz YSOHAOWVXNNZQS-UHFFFAOYSA-N 0 0 457.600 4.319 50 0 JIAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)no2)cc1 ZINC000027580020 556299976 /nfs/dbraw/zinc/29/99/76/556299976.db2.gz DJVRDEMTUGXWJV-QGZVFWFLSA-N 0 0 469.563 4.413 50 0 JIAARN NC(=O)COc1ccc([C@@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000027664565 556303593 /nfs/dbraw/zinc/30/35/93/556303593.db2.gz PBOLCUZNKSXOHB-RUZDIDTESA-N 0 0 488.931 4.045 50 0 JIAARN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccccc1 ZINC000013108502 556305797 /nfs/dbraw/zinc/30/57/97/556305797.db2.gz NPYYLVQEKPIILW-MRXNPFEDSA-N 0 0 485.993 4.334 50 0 JIAARN COc1ccc(C2=NN(C(=O)CSc3nnc4n3CCCCC4)[C@@H](c3ccco3)C2)cc1 ZINC000013109757 556309680 /nfs/dbraw/zinc/30/96/80/556309680.db2.gz CYQAUXSJIQZHBD-LJQANCHMSA-N 0 0 451.552 4.076 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)CC1 ZINC000018209635 556310537 /nfs/dbraw/zinc/31/05/37/556310537.db2.gz HIBQPYNGDLRURH-FOIQADDNSA-N 0 0 475.471 4.107 50 0 JIAARN COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)c3ccc(-n4nccc4C)cc3)n2)c1 ZINC000027953231 556310615 /nfs/dbraw/zinc/31/06/15/556310615.db2.gz DWBAJGGWRZYHHB-UHFFFAOYSA-N 0 0 478.530 4.117 50 0 JIAARN O=C1C[C@H](N2CCC(Nc3ccc(OC(F)(F)F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018217997 556312436 /nfs/dbraw/zinc/31/24/36/556312436.db2.gz ZZVCWIMICOFQNJ-IBGZPJMESA-N 0 0 467.875 4.447 50 0 JIAARN CCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028045850 556312734 /nfs/dbraw/zinc/31/27/34/556312734.db2.gz HGMHJPJELDNZSS-UHFFFAOYSA-N 0 0 484.418 4.382 50 0 JIAARN COc1ccccc1NCc1nnc(SCC(=O)Nc2nccs2)n1-c1ccccc1 ZINC000028047405 556313180 /nfs/dbraw/zinc/31/31/80/556313180.db2.gz QECUQJITMLSXDM-UHFFFAOYSA-N 0 0 452.565 4.075 50 0 JIAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)c1ccc(F)c(F)c1 ZINC000013112847 556315635 /nfs/dbraw/zinc/31/56/35/556315635.db2.gz NKTSJWQXQPKVNZ-UHFFFAOYSA-N 0 0 479.888 4.136 50 0 JIAARN CCCCCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(OC)c4)CC3)C2=O)cc1 ZINC000018250540 556316182 /nfs/dbraw/zinc/31/61/82/556316182.db2.gz BDNQSUKFEIDULG-VWLOTQADSA-N 0 0 465.594 4.108 50 0 JIAARN C[C@@H]1CCc2c(sc(NC(=O)CSc3nc(C4CC4)n(-c4ccccc4)n3)c2C(N)=O)C1 ZINC000013113042 556316542 /nfs/dbraw/zinc/31/65/42/556316542.db2.gz UUGPTNINBSBOMY-CYBMUJFWSA-N 0 0 467.620 4.161 50 0 JIAARN COc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)o2)cc1 ZINC000018253650 556316626 /nfs/dbraw/zinc/31/66/26/556316626.db2.gz SHSCLFGFRUMCCE-KURKYZTESA-N 0 0 499.589 4.330 50 0 JIAARN CCc1ccc([C@@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000013113356 556317905 /nfs/dbraw/zinc/31/79/05/556317905.db2.gz GTEAPVXVLIKOJG-HXUWFJFHSA-N 0 0 493.629 4.276 50 0 JIAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N(CCc1ccccc1)Cc1cccs1 ZINC000018275422 556318353 /nfs/dbraw/zinc/31/83/53/556318353.db2.gz KRUOVFWZRHMZDE-MHZLTWQESA-N 0 0 473.598 4.103 50 0 JIAARN CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)N4CC(=O)Nc5ccccc54)n3C)cc2C1 ZINC000013114699 556320381 /nfs/dbraw/zinc/32/03/81/556320381.db2.gz ZWUYSCVYXKKKCI-CQSZACIVSA-N 0 0 467.620 4.136 50 0 JIAARN C[C@@H]1CCc2sc(-c3nnc(SCc4cccc(S(=O)(=O)N5CCOCC5)c4)o3)cc2C1 ZINC000013116231 556324273 /nfs/dbraw/zinc/32/42/73/556324273.db2.gz DIBXOZWHADMWKY-OAHLLOKOSA-N 0 0 491.660 4.236 50 0 JIAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000018948776 556325671 /nfs/dbraw/zinc/32/56/71/556325671.db2.gz LQXXIQDWFGGGEB-UHFFFAOYSA-N 0 0 487.025 4.363 50 0 JIAARN C[C@@H](Sc1nnc(-c2ccncc2)n1Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013117335 556326571 /nfs/dbraw/zinc/32/65/71/556326571.db2.gz QBDBXBGVUJMMFV-QGZVFWFLSA-N 0 0 473.558 4.279 50 0 JIAARN O=C(CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)Nc1cccc2nsnc21 ZINC000019077506 556328926 /nfs/dbraw/zinc/32/89/26/556328926.db2.gz BGBNSKHAOCEPBG-UHFFFAOYSA-N 0 0 483.962 4.427 50 0 JIAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000013117772 556329184 /nfs/dbraw/zinc/32/91/84/556329184.db2.gz AHWARRWETZTWNT-UHFFFAOYSA-N 0 0 461.008 4.252 50 0 JIAARN COc1ccc(C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)cc1S(=O)(=O)NC1CC1 ZINC000013117973 556330248 /nfs/dbraw/zinc/33/02/48/556330248.db2.gz PZLDTLKRPMMVBE-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/59/56/56/569595656.db2.gz WMMVNCHYGFGWQN-DEOSSOPVSA-N 0 0 488.009 4.425 50 0 JIAARN CCN1c2ccc(S(=O)(=O)Nc3ccc(I)cc3)c3cccc(c23)C1=O ZINC000008715826 569596504 /nfs/dbraw/zinc/59/65/04/569596504.db2.gz CCJSJTWTQYBJRK-UHFFFAOYSA-N 0 0 478.311 4.225 50 0 JIAARN CCCOC(=O)c1cccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)c1 ZINC000008717889 569596923 /nfs/dbraw/zinc/59/69/23/569596923.db2.gz BWXHMBOHKZQRSN-INIZCTEOSA-N 0 0 482.606 4.210 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000008719023 569597357 /nfs/dbraw/zinc/59/73/57/569597357.db2.gz NOTRDJNACCHQOS-LJAQVGFWSA-N 0 0 499.567 4.238 50 0 JIAARN O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000008719005 569597366 /nfs/dbraw/zinc/59/73/66/569597366.db2.gz VMDJWYZLBIJUFE-UHFFFAOYSA-N 0 0 497.926 4.296 50 0 JIAARN C[C@@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000008719155 569597377 /nfs/dbraw/zinc/59/73/77/569597377.db2.gz 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O=C(CSc1nc(-c2ccc(Br)cc2)c[nH]1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000008725573 569600244 /nfs/dbraw/zinc/60/02/44/569600244.db2.gz QDLGXBUYHNVDGA-UHFFFAOYSA-N 0 0 471.380 4.462 50 0 JIAARN COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057415038 569600469 /nfs/dbraw/zinc/60/04/69/569600469.db2.gz PKKQBXZUQNMBDD-HSZRJFAPSA-N 0 0 453.970 4.076 50 0 JIAARN COc1cccc(Cn2c(=O)c3sccc3nc2SCC(=O)Nc2ccc(F)cc2)c1 ZINC000057426163 569601893 /nfs/dbraw/zinc/60/18/93/569601893.db2.gz CESCXYWMDCYHBH-UHFFFAOYSA-N 0 0 455.536 4.385 50 0 JIAARN CN(CCCCCc1cc(-c2ccc(F)cc2)n(C)n1)C(=O)c1ccc(Cn2cncn2)cc1 ZINC000058146843 569602195 /nfs/dbraw/zinc/60/21/95/569602195.db2.gz WXHYBCUIEURWLI-UHFFFAOYSA-N 0 0 460.557 4.351 50 0 JIAARN O=C(NCc1cccs1)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000032975491 569606173 /nfs/dbraw/zinc/60/61/73/569606173.db2.gz IXDRIPCBJUCHJD-HXUWFJFHSA-N 0 0 498.674 4.004 50 0 JIAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 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JIAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccc(O)cc1 ZINC000062569620 569611314 /nfs/dbraw/zinc/61/13/14/569611314.db2.gz WOCSPDMGDMNGTK-INIZCTEOSA-N 0 0 481.574 4.195 50 0 JIAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCSc3ccccc32)cc1 ZINC000032997927 569611898 /nfs/dbraw/zinc/61/18/98/569611898.db2.gz UDDVVKDMNOEXEE-UHFFFAOYSA-N 0 0 454.573 4.273 50 0 JIAARN O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000062588350 569612209 /nfs/dbraw/zinc/61/22/09/569612209.db2.gz BNJDMGHICRTCJM-CYBMUJFWSA-N 0 0 471.876 4.272 50 0 JIAARN CCOc1c(Br)cc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)cc1OC ZINC000062590073 569612373 /nfs/dbraw/zinc/61/23/73/569612373.db2.gz FVSPGHGRZQGSFS-UHFFFAOYSA-N 0 0 486.322 4.395 50 0 JIAARN COc1ccc(CCC(=O)N2CCCN(C(=O)c3ccc(NC(=O)c4cccs4)cc3)CC2)cc1 ZINC000062591937 569612503 /nfs/dbraw/zinc/61/25/03/569612503.db2.gz RWODSTGLGBVBDW-UHFFFAOYSA-N 0 0 491.613 4.316 50 0 JIAARN O=C(Nc1cc(C(F)(F)F)ccc1I)C1CCN(C(=O)c2ccoc2)CC1 ZINC000062602596 569612869 /nfs/dbraw/zinc/61/28/69/569612869.db2.gz OGLKEQAAWYXPOD-UHFFFAOYSA-N 0 0 492.235 4.394 50 0 JIAARN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1ccc(C)cc1 ZINC000062613403 569612907 /nfs/dbraw/zinc/61/29/07/569612907.db2.gz SUBTZDAVDMAYSI-QHCPKHFHSA-N 0 0 487.556 4.150 50 0 JIAARN O=C(Nc1n[nH]c(-c2ccccc2OC(F)F)n1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000062625960 569613654 /nfs/dbraw/zinc/61/36/54/569613654.db2.gz CCEDPYDADOIQKZ-UHFFFAOYSA-N 0 0 489.438 4.122 50 0 JIAARN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000062637682 569613954 /nfs/dbraw/zinc/61/39/54/569613954.db2.gz ACFGWCGLMRGODI-IBGZPJMESA-N 0 0 478.376 4.458 50 0 JIAARN CCOc1cc(CNC(=O)c2ccc(Cn3c4ccccc4nc(C)c3=O)cc2)ccc1OC ZINC000033005913 569614618 /nfs/dbraw/zinc/61/46/18/569614618.db2.gz BKEPUXUMPACMQR-UHFFFAOYSA-N 0 0 457.530 4.091 50 0 JIAARN COc1ccccc1-c1nc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cs1 ZINC000062734751 569614824 /nfs/dbraw/zinc/61/48/24/569614824.db2.gz XQKCUGJLIKUVGI-UHFFFAOYSA-N 0 0 494.020 4.340 50 0 JIAARN CCc1ccc(S(=O)(=O)Nc2ccc(N3CCC([NH+]4CCCCC4)CC3)cc2C(=O)[O-])cc1 ZINC000033007340 569615405 /nfs/dbraw/zinc/61/54/05/569615405.db2.gz OGMKWRGTYMYZHQ-UHFFFAOYSA-N 0 0 471.623 4.203 50 0 JIAARN Cc1c(-c2nc(-c3ccncc3)no2)sc2ncn(CC(=O)Nc3ccccc3Cl)c(=O)c12 ZINC000064439243 569616869 /nfs/dbraw/zinc/61/68/69/569616869.db2.gz NDGBDTITNXTFLT-UHFFFAOYSA-N 0 0 478.921 4.171 50 0 JIAARN Cc1cccc(-c2nc3sc(N4CCN(C(=O)c5ccncc5)CC4)nn3c2NC(C)(C)C)c1 ZINC000064450885 569617401 /nfs/dbraw/zinc/61/74/01/569617401.db2.gz MJTKFYZMTCQTRS-UHFFFAOYSA-N 0 0 475.622 4.334 50 0 JIAARN CCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O ZINC000033012256 569617427 /nfs/dbraw/zinc/61/74/27/569617427.db2.gz FVOCHFKOCYKOJT-UHFFFAOYSA-N 0 0 458.493 4.498 50 0 JIAARN CC(C)(C)Nc1c(-c2ccccc2)nc2sc(N3CCN(CC(=O)Nc4ccccc4)CC3)nn21 ZINC000064452011 569617613 /nfs/dbraw/zinc/61/76/13/569617613.db2.gz CVIQXACYLDIGGB-UHFFFAOYSA-N 0 0 489.649 4.429 50 0 JIAARN COc1cc(NC(=O)COC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc(OC)c1 ZINC000033013884 569617695 /nfs/dbraw/zinc/61/76/95/569617695.db2.gz MJQYENXKEZCEFE-UHFFFAOYSA-N 0 0 491.569 4.376 50 0 JIAARN Cc1ccc(Cn2c(=O)c(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)nc3cccnc32)cc1 ZINC000064567547 569619821 /nfs/dbraw/zinc/61/98/21/569619821.db2.gz KBZPCGVAUVEJGI-UHFFFAOYSA-N 0 0 488.979 4.156 50 0 JIAARN O=C(Nc1ccc(Cl)cc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)s1 ZINC000033024747 569620216 /nfs/dbraw/zinc/62/02/16/569620216.db2.gz TZLZHZBPJHWLLJ-OAHLLOKOSA-N 0 0 490.029 4.135 50 0 JIAARN Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(CC(=O)N[C@H](C)c4ccccc4)CC3)s2)cc1 ZINC000033024831 569620308 /nfs/dbraw/zinc/62/03/08/569620308.db2.gz OAFGRKCFCPGAOG-GOSISDBHSA-N 0 0 491.617 4.219 50 0 JIAARN CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2C(=O)[O-])CC1 ZINC000064580580 569620388 /nfs/dbraw/zinc/62/03/88/569620388.db2.gz RANQJYBBRMZBEX-UHFFFAOYSA-N 0 0 471.623 4.375 50 0 JIAARN 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DWNKZJYHZZRLKA-VWLOTQADSA-N 0 0 482.577 4.219 50 0 JIAARN Cc1ccccc1CNC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1 ZINC000035559248 569703726 /nfs/dbraw/zinc/70/37/26/569703726.db2.gz GFAVFKKQCKWRPA-XMMPIXPASA-N 0 0 452.551 4.129 50 0 JIAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(OCc4ccccc4)cc3)n2)c(F)c1 ZINC000072406465 569703869 /nfs/dbraw/zinc/70/38/69/569703869.db2.gz RAIFGNWKQZMWSE-UHFFFAOYSA-N 0 0 459.477 4.276 50 0 JIAARN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@H](c1ccc(C(=O)N(C)c3ccccc3)cc1)CC(=O)N2 ZINC000072405791 569703906 /nfs/dbraw/zinc/70/39/06/569703906.db2.gz FUWCXUCFUJOIHV-LJQANCHMSA-N 0 0 478.516 4.247 50 0 JIAARN CCCSCCCNC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1Cc1ccccc1 ZINC000035561417 569704428 /nfs/dbraw/zinc/70/44/28/569704428.db2.gz XITORRXQUJQSIW-UHFFFAOYSA-N 0 0 473.664 4.203 50 0 JIAARN CCOc1cccc(CC(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1OCC ZINC000035562232 569704783 /nfs/dbraw/zinc/70/47/83/569704783.db2.gz WHEULYCACRNLPX-UHFFFAOYSA-N 0 0 469.969 4.146 50 0 JIAARN O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccco1)Cc1ccccc1Cl ZINC000035673201 569706481 /nfs/dbraw/zinc/70/64/81/569706481.db2.gz NUDOAVIYJZLZOZ-UHFFFAOYSA-N 0 0 457.935 4.276 50 0 JIAARN Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3nnnn3-c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000078733157 569706624 /nfs/dbraw/zinc/70/66/24/569706624.db2.gz HWLXXNNPQDEQBF-QGZVFWFLSA-N 0 0 473.503 4.023 50 0 JIAARN COc1ccc(/C=C\C(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 ZINC000035681249 569706632 /nfs/dbraw/zinc/70/66/32/569706632.db2.gz ISCHDLFYKVZBQX-YVLHZVERSA-N 0 0 481.599 4.047 50 0 JIAARN COc1ccccc1/C=C\C(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000035681247 569706669 /nfs/dbraw/zinc/70/66/69/569706669.db2.gz XOMQERYBMDFBAG-ATVHPVEESA-N 0 0 481.599 4.047 50 0 JIAARN Cc1ccc(S(=O)(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)C[C@H]2c2cccc(C)c2)cc1 ZINC000079112491 569707001 /nfs/dbraw/zinc/70/70/01/569707001.db2.gz OFORQGWMJJUZRO-DEOSSOPVSA-N 0 0 483.615 4.215 50 0 JIAARN C[C@H](CCC(=O)NCc1ccccn1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000079196554 569707325 /nfs/dbraw/zinc/70/73/25/569707325.db2.gz XKTNGPORTGIVCX-ANGOZFNYSA-N 0 0 498.708 4.076 50 0 biogenic JIAARN Cc1ccc(N2C(=O)C(c3c(=O)n(-c4ccc(F)cc4)[n-]c3C(C)C)=C([n+]3ccccc3)C2=O)cc1 ZINC000035712701 569708035 /nfs/dbraw/zinc/70/80/35/569708035.db2.gz ZFGSAFZVVSRZDA-UHFFFAOYSA-O 0 0 483.523 4.378 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(OC)cc4)no3)C2)cc1 ZINC000035726468 569708754 /nfs/dbraw/zinc/70/87/54/569708754.db2.gz WXYSLTPZDUMVEF-SFHVURJKSA-N 0 0 450.495 4.333 50 0 JIAARN Cc1cccc(Cn2cccc(C(=O)N3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)c2=O)c1 ZINC000084210735 569708964 /nfs/dbraw/zinc/70/89/64/569708964.db2.gz YLSNBHHSRCPRTM-NRFANRHFSA-N 0 0 472.520 4.414 50 0 JIAARN CC[C@H](C)[C@@H](NC(=O)Nc1ccc(F)cc1F)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000035729439 569709037 /nfs/dbraw/zinc/70/90/37/569709037.db2.gz UKUYJROWNAZCHJ-BBATYDOGSA-N 0 0 489.504 4.387 50 0 JIAARN COCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1OC)C(=O)C1CCC1 ZINC000035761194 569709756 /nfs/dbraw/zinc/70/97/56/569709756.db2.gz GQMRAVQVVCNHJO-UHFFFAOYSA-N 0 0 477.605 4.023 50 0 JIAARN CC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1ccccc1 ZINC000035766508 569709942 /nfs/dbraw/zinc/70/99/42/569709942.db2.gz UAKWLCHJJNVZEO-UHFFFAOYSA-N 0 0 454.592 4.198 50 0 JIAARN CCOc1ccc(NC(=O)N(Cc2ccco2)Cc2ccc(OC)c(OS(C)(=O)=O)c2)cc1 ZINC000035776889 569710954 /nfs/dbraw/zinc/71/09/54/569710954.db2.gz SCINEVHPCBFVNI-UHFFFAOYSA-N 0 0 474.535 4.260 50 0 JIAARN CCOCCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)c3ccccc3F)cc2)n1 ZINC000035806598 569711392 /nfs/dbraw/zinc/71/13/92/569711392.db2.gz WLICZABRPMVKDL-UHFFFAOYSA-N 0 0 490.491 4.470 50 0 JIAARN COCCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)COc3ccccc3)cc2)n1 ZINC000035806720 569711524 /nfs/dbraw/zinc/71/15/24/569711524.db2.gz RFOLWYDJIDPNLY-UHFFFAOYSA-N 0 0 458.518 4.285 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000085642753 569711805 /nfs/dbraw/zinc/71/18/05/569711805.db2.gz FSFNMDSGNTULSV-UHFFFAOYSA-N 0 0 490.988 4.321 50 0 JIAARN COC(=O)c1cccc(NC(=O)N2CCc3c(sc4nc(-c5ccc(Cl)cc5)nn43)C2)c1 ZINC000085651433 569713214 /nfs/dbraw/zinc/71/32/14/569713214.db2.gz HFLSBFATSPHDBP-UHFFFAOYSA-N 0 0 467.938 4.488 50 0 JIAARN Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)ccc1=O ZINC000085651971 569713739 /nfs/dbraw/zinc/71/37/39/569713739.db2.gz BAPFQNHAZSHHKF-UHFFFAOYSA-N 0 0 470.938 4.267 50 0 JIAARN Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035855637 569716962 /nfs/dbraw/zinc/71/69/62/569716962.db2.gz VNNMDLXHBZMVQV-YHZQYDDPSA-N 0 0 471.944 4.233 50 0 JIAARN COc1ccc(C(=O)N(Cc2nc3nc(C)c(Cl)c(C)n3n2)c2ccc(OC)cc2)cc1 ZINC000086066628 569717638 /nfs/dbraw/zinc/71/76/38/569717638.db2.gz YLIJZNWMCFSTTH-UHFFFAOYSA-N 0 0 451.914 4.259 50 0 JIAARN COc1ccc(-c2nnc(SCc3cc(=O)n4ccsc4n3)n2-c2ccccc2F)cc1 ZINC000089455399 569718469 /nfs/dbraw/zinc/71/84/69/569718469.db2.gz CGJFFBFZJVTHHF-UHFFFAOYSA-N 0 0 465.535 4.444 50 0 JIAARN O=C(Nc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cnccn3)C[C@H]12 ZINC000035871611 569718938 /nfs/dbraw/zinc/71/89/38/569718938.db2.gz PJQGCYRFCKMGTC-PZJWPPBQSA-N 0 0 453.468 4.002 50 0 JIAARN O=C([C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(Cl)c3)C[C@@H]12)N1CCOCC1 ZINC000035871928 569719050 /nfs/dbraw/zinc/71/90/50/569719050.db2.gz WTRWRNXOKSTNMF-UNMCSNQZSA-N 0 0 479.930 4.085 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1C ZINC000089643267 569719371 /nfs/dbraw/zinc/71/93/71/569719371.db2.gz DIBXKFOZCQSZLT-JOCHJYFZSA-N 0 0 477.630 4.304 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000089646973 569719435 /nfs/dbraw/zinc/71/94/35/569719435.db2.gz JPKVTBKSBVQZBI-UHFFFAOYSA-N 0 0 450.626 4.268 50 0 JIAARN COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)C1=O ZINC000089677827 569719521 /nfs/dbraw/zinc/71/95/21/569719521.db2.gz WGBLPWIHLQAWPV-MHZLTWQESA-N 0 0 473.529 4.288 50 0 JIAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3cc4ccccc4o3)cc2)C1 ZINC000089920267 569720436 /nfs/dbraw/zinc/72/04/36/569720436.db2.gz AGJPICVRJZUGCY-IAGOWNOFSA-N 0 0 455.532 4.139 50 0 JIAARN Cc1ccc(S(=O)(=O)N(c2cncc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000091352073 569721360 /nfs/dbraw/zinc/72/13/60/569721360.db2.gz BGMBOTNRLWKEHC-UHFFFAOYSA-N 0 0 481.393 4.045 50 0 JIAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000035891151 569722003 /nfs/dbraw/zinc/72/20/03/569722003.db2.gz JPCVQEUNUMDOOR-UHFFFAOYSA-N 0 0 450.608 4.142 50 0 JIAARN COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CCN(c4ccccc4F)C[C@H]23)cc1 ZINC000035893654 569722881 /nfs/dbraw/zinc/72/28/81/569722881.db2.gz MPMXIJAZMOWCPS-WNCULLNHSA-N 0 0 459.565 4.061 50 0 JIAARN COc1cc(CN(C)C(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OC(F)F ZINC000035903419 569723495 /nfs/dbraw/zinc/72/34/95/569723495.db2.gz DVZMFVHJSOZGRH-ZDUSSCGKSA-N 0 0 497.589 4.492 50 0 JIAARN CC(C)(C)NC(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908315 569723980 /nfs/dbraw/zinc/72/39/80/569723980.db2.gz WEIMIBAOWASHSW-UHFFFAOYSA-N 0 0 469.593 4.036 50 0 JIAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1nc3ccc(OC(F)(F)F)cc3s1)C=C2 ZINC000095477568 569724347 /nfs/dbraw/zinc/72/43/47/569724347.db2.gz OTMFMGOTTUDYBR-UHFFFAOYSA-N 0 0 493.463 4.206 50 0 JIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(Cc2cccc(OC)c2OC)C(=O)[C@H](C)O3)cc1 ZINC000035909720 569724840 /nfs/dbraw/zinc/72/48/40/569724840.db2.gz YTPPSVXKIVZOMF-KRWDZBQOSA-N 0 0 476.529 4.274 50 0 JIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(Cc2cccc(OC)c2OC)C(=O)[C@@H](C)O3)cc1 ZINC000035909719 569724876 /nfs/dbraw/zinc/72/48/76/569724876.db2.gz YTPPSVXKIVZOMF-QGZVFWFLSA-N 0 0 476.529 4.274 50 0 JIAARN COc1ccc(CN2Cc3cc(NC(=O)c4ccccc4F)ccc3O[C@@H](C)C2=O)c(OC)c1 ZINC000035909810 569724965 /nfs/dbraw/zinc/72/49/65/569724965.db2.gz QFLJNRGUYPXPKX-INIZCTEOSA-N 0 0 464.493 4.405 50 0 JIAARN COc1ccc(CN2Cc3cc(NC(=O)c4ccccc4F)ccc3O[C@H](C)C2=O)c(OC)c1 ZINC000035909809 569724998 /nfs/dbraw/zinc/72/49/98/569724998.db2.gz QFLJNRGUYPXPKX-MRXNPFEDSA-N 0 0 464.493 4.405 50 0 JIAARN O=C1C[C@H](N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1CC(c1ccccc1)c1ccccc1 ZINC000095483181 569725134 /nfs/dbraw/zinc/72/51/34/569725134.db2.gz OUVWDLZHNVNUNW-MYLCPLCOSA-N 0 0 479.624 4.277 50 0 JIAARN Cc1ccc(NC(=O)Cn2nc3c4cc(-c5cc(C)ccc5C)nn4ccn3c2=O)c(Cl)c1 ZINC000095536040 569725657 /nfs/dbraw/zinc/72/56/57/569725657.db2.gz BIYSFCBGEQZZRS-UHFFFAOYSA-N 0 0 460.925 4.028 50 0 JIAARN COc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(Cc3cccc(Cl)c3)c4=O)n2)c(OC)c1 ZINC000095536465 569725754 /nfs/dbraw/zinc/72/57/54/569725754.db2.gz NLMVXLNXAWESMF-UHFFFAOYSA-N 0 0 490.903 4.126 50 0 JIAARN Cc1cc(C)c(NC(=O)Cn2nc3c4cc(-c5ccc(Cl)cc5)nn4ccn3c2=O)c(C)c1 ZINC000095537246 569725870 /nfs/dbraw/zinc/72/58/70/569725870.db2.gz HIEGQHTVCGCLPV-UHFFFAOYSA-N 0 0 460.925 4.028 50 0 JIAARN CCOC(=O)N1CCN(C(=O)C[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2OC)CC1 ZINC000035910763 569725955 /nfs/dbraw/zinc/72/59/55/569725955.db2.gz JXPWJWINIFZHHG-NRFANRHFSA-N 0 0 465.550 4.008 50 0 JIAARN CC(=O)N1CCN(C(=O)CCn2c3cc(Cl)c(Cl)cc3nc2Cc2ccc(C)cc2)CC1 ZINC000095537592 569726020 /nfs/dbraw/zinc/72/60/20/569726020.db2.gz USQKARAFHZBWCU-UHFFFAOYSA-N 0 0 473.404 4.323 50 0 JIAARN CC[C@@H](C)NC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cccc(Cl)c4)n3)c(=O)n12 ZINC000035911693 569726852 /nfs/dbraw/zinc/72/68/52/569726852.db2.gz JNGCJSVTRFESQF-CYBMUJFWSA-N 0 0 469.998 4.336 50 0 JIAARN COc1ccc(-c2noc(CCN(Cc3ccco3)C(=O)c3cccc(F)c3)n2)cc1OC ZINC000095545147 569726968 /nfs/dbraw/zinc/72/69/68/569726968.db2.gz NILZRWJQCIQFBI-UHFFFAOYSA-N 0 0 451.454 4.371 50 0 JIAARN O=C(c1cccc(CSc2nnc(-c3ccco3)n2-c2ccc(F)cc2)c1)N1CCOCC1 ZINC000095546842 569727342 /nfs/dbraw/zinc/72/73/42/569727342.db2.gz LAKUCPLGDQASEL-UHFFFAOYSA-N 0 0 464.522 4.431 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCN(C(=O)COCc4ccccc4)CC3)c12 ZINC000035912670 569727644 /nfs/dbraw/zinc/72/76/44/569727644.db2.gz ZNQAIGHHSMFWAS-UHFFFAOYSA-N 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COc1cccc(C(=O)N2CCCN(c3nc(C)nc4c3c(C)nn4-c3ccccc3C)CC2)c1 ZINC000036019702 569750028 /nfs/dbraw/zinc/75/00/28/569750028.db2.gz UEMGJWWHPZAIHP-UHFFFAOYSA-N 0 0 470.577 4.102 50 0 JIAARN COC(=O)c1c(C)c(C(=O)[C@@H](C)N(C(=O)c2cccc(OC)c2)C2CCCCC2)c(C)n1C ZINC000036025166 569750549 /nfs/dbraw/zinc/75/05/49/569750549.db2.gz WLWJZTZFBDUTAT-GOSISDBHSA-N 0 0 454.567 4.483 50 0 JIAARN CCOc1cc(C(=O)N2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc(OCC)c1OCC ZINC000098211787 569750869 /nfs/dbraw/zinc/75/08/69/569750869.db2.gz DOLXUCKJGOBMIZ-UHFFFAOYSA-N 0 0 482.556 4.374 50 0 JIAARN O=C(Nc1cccc(F)c1)N1CCC2(CC1)N[C@H](Cc1ccccc1)C(=O)N2Cc1ccccc1 ZINC000036026753 569750956 /nfs/dbraw/zinc/75/09/56/569750956.db2.gz AUGGCVPCYBYDCE-RUZDIDTESA-N 0 0 472.564 4.393 50 0 JIAARN CCCN(C)c1cc(C)nc(SCc2cccc(C(=O)N3CCC(C(=O)OCC)CC3)c2)n1 ZINC000036027637 569751102 /nfs/dbraw/zinc/75/11/02/569751102.db2.gz GHILOWUIOPKFGB-UHFFFAOYSA-N 0 0 470.639 4.339 50 0 JIAARN CC(C)Cn1c(CN(Cc2ccco2)C(=S)NC2CC2)cnc1S(=O)(=O)Cc1ccccc1 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CCOC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OCC)C1c1ccc(OC)cc1 ZINC000001459646 194124146 /nfs/dbraw/zinc/12/41/46/194124146.db2.gz JUQPRBCYCPXXLB-UHFFFAOYSA-N 0 0 481.545 4.206 50 0 JIAARN COC(=O)c1ccc([C@H]2[C@H](Oc3ccccc3C)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000001441265 194121364 /nfs/dbraw/zinc/12/13/64/194121364.db2.gz XIBZXEOFIUMDCJ-UIOOFZCWSA-N 0 0 475.541 4.372 50 0 JIAARN C[C@H]1CCc2c(sc3ncn(CC(=O)Nc4sc(-c5ccccc5)cc4C(N)=O)c(=O)c32)C1 ZINC000001787507 194140483 /nfs/dbraw/zinc/14/04/83/194140483.db2.gz WQZXVZFJIPJSLV-ZDUSSCGKSA-N 0 0 478.599 4.049 50 0 JIAARN CCCCOc1ccc(-c2nc3s/c(=C4/c5ccccc5N(CCCC)C4=O)c(=O)n3n2)cc1 ZINC000001806377 194143809 /nfs/dbraw/zinc/14/38/09/194143809.db2.gz OPSDAXCPKWVIPW-DQRAZIAOSA-N 0 0 474.586 4.062 50 0 JIAARN FC(F)(F)C1(C(F)(F)F)N=C(c2ccc(Cl)cc2Cl)OC(N2CCOCC2)=N1 ZINC000001808128 194144110 /nfs/dbraw/zinc/14/41/10/194144110.db2.gz IHCOVCQIAPTBSP-UHFFFAOYSA-N 0 0 450.166 4.279 50 0 JIAARN COC(=O)c1c2c(sc1NC(=O)CSc1ncnc3c1cnn3-c1ccccc1)CCCC2 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O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000012691408 195088669 /nfs/dbraw/zinc/08/86/69/195088669.db2.gz UNEVBUIYQNXFNR-PZJWPPBQSA-N 0 0 454.954 4.327 50 0 JIAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012692478 195089042 /nfs/dbraw/zinc/08/90/42/195089042.db2.gz RTNVPVFDUORXIJ-UHFFFAOYSA-N 0 0 451.552 4.105 50 0 JIAARN COc1ccc(C(=O)OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000012693759 195089334 /nfs/dbraw/zinc/08/93/34/195089334.db2.gz CSSCGDJJASSWAN-HXUWFJFHSA-N 0 0 480.542 4.309 50 0 JIAARN C[C@H](NC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O)c1ccc2c(c1)OCO2 ZINC000012697223 195090525 /nfs/dbraw/zinc/09/05/25/195090525.db2.gz IFFSDVZJEBPMNF-ZDUSSCGKSA-N 0 0 467.934 4.385 50 0 JIAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000012697893 195090708 /nfs/dbraw/zinc/09/07/08/195090708.db2.gz PHDIQAXCZDJQOP-UHFFFAOYSA-N 0 0 483.977 4.310 50 0 JIAARN CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)n2N)cc1 ZINC000012700451 195091343 /nfs/dbraw/zinc/09/13/43/195091343.db2.gz CRIROXKKAYBWSW-LLVKDONJSA-N 0 0 452.367 4.484 50 0 JIAARN COc1ccc(-c2cc(C(=O)NC[C@@H](C(C)C)N3CCOCC3)c3ccccc3n2)cc1OC ZINC000012727999 195097893 /nfs/dbraw/zinc/09/78/93/195097893.db2.gz WKSLMJVWMUWWAM-DEOSSOPVSA-N 0 0 463.578 4.006 50 0 JIAARN CCOc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2Cl)N2CCOCC2)cc1OC ZINC000012728958 195098061 /nfs/dbraw/zinc/09/80/61/195098061.db2.gz UZZTVAZFELJDBX-HXUWFJFHSA-N 0 0 467.393 4.133 50 0 JIAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000012729571 195098074 /nfs/dbraw/zinc/09/80/74/195098074.db2.gz IBVHBAQXPBJLGR-CQSZACIVSA-N 0 0 451.445 4.208 50 0 JIAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3nnc(-n4nc(C)cc4C)n3N)ccc21 ZINC000012732667 195099062 /nfs/dbraw/zinc/09/90/62/195099062.db2.gz DMXSYRWAXYNIES-MRXNPFEDSA-N 0 0 474.594 4.042 50 0 JIAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1cc(Cl)c(OC)c(OC)c1 ZINC000012733667 195099642 /nfs/dbraw/zinc/09/96/42/195099642.db2.gz VMODHDCLNDJNGL-HXUWFJFHSA-N 0 0 490.965 4.011 50 0 JIAARN COc1ccc(CCNC(=O)Cn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1OC ZINC000012739428 195100645 /nfs/dbraw/zinc/10/06/45/195100645.db2.gz WMWMFQXRAUQVDY-UHFFFAOYSA-N 0 0 483.977 4.155 50 0 JIAARN COc1ccc(C(=O)C2CCN(C(=O)[C@H](NC(=O)c3ccc(Cl)cc3)C(C)C)CC2)cc1 ZINC000012740931 195100809 /nfs/dbraw/zinc/10/08/09/195100809.db2.gz PJLJWUCFQHQAKX-JOCHJYFZSA-N 0 0 456.970 4.225 50 0 JIAARN COc1ccc(C(=O)C2CCN(C(=O)[C@H](C)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000012739376 195100526 /nfs/dbraw/zinc/10/05/26/195100526.db2.gz DKUCUJMEPIQONW-SFHVURJKSA-N 0 0 450.579 4.233 50 0 JIAARN COc1ccc(N2C(=O)CC[C@H](C(=O)N3CCC(C)CC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000012743298 195101698 /nfs/dbraw/zinc/10/16/98/195101698.db2.gz XVRLSOVTIBFCIB-NVQXNPDNSA-N 0 0 466.578 4.455 50 0 JIAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)c3cc(C)sc3C)C2=O)cc1 ZINC000012752206 195106569 /nfs/dbraw/zinc/10/65/69/195106569.db2.gz NJSWHHWYTBOHKR-UHFFFAOYSA-N 0 0 464.543 4.060 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc4ccccc4c3)CC2)cc1 ZINC000012754309 195107888 /nfs/dbraw/zinc/10/78/88/195107888.db2.gz XQGUROKFWRKCIT-GOSISDBHSA-N 0 0 464.587 4.321 50 0 JIAARN O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000012756764 195108900 /nfs/dbraw/zinc/10/89/00/195108900.db2.gz IDKJIDONRQOIPD-UHFFFAOYSA-N 0 0 487.796 4.203 50 0 JIAARN CN(CCOc1ccccc1F)c1cnn(CCOc2ccc(Cl)cc2)c(=O)c1Cl ZINC000012759650 195110028 /nfs/dbraw/zinc/11/00/28/195110028.db2.gz PTQSTAOAGARTCL-UHFFFAOYSA-N 0 0 452.313 4.283 50 0 JIAARN O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)Nc1ccccc1Cc1ccccc1 ZINC000012761681 195111163 /nfs/dbraw/zinc/11/11/63/195111163.db2.gz QUERIGJJBVVPNR-UHFFFAOYSA-N 0 0 499.640 4.485 50 0 JIAARN COC(=O)[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000012763025 195112041 /nfs/dbraw/zinc/11/20/41/195112041.db2.gz KXAXNPVUZQNMJB-QFIPXVFZSA-N 0 0 456.901 4.411 50 0 JIAARN COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000012760251 195110459 /nfs/dbraw/zinc/11/04/59/195110459.db2.gz UITJFEDRUQWKIO-QFIPXVFZSA-N 0 0 462.999 4.113 50 0 JIAARN CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1nc(C)c(C)s1 ZINC000012763955 195112430 /nfs/dbraw/zinc/11/24/30/195112430.db2.gz AHCJLAGBNQHMKJ-AWEZNQCLSA-N 0 0 468.453 4.105 50 0 JIAARN O=c1c2c(-c3ccc(F)cc3)csc2ncn1C[C@H](O)COc1cccc(Br)c1 ZINC000012764224 195112718 /nfs/dbraw/zinc/11/27/18/195112718.db2.gz MINNJMRFCXITSZ-INIZCTEOSA-N 0 0 475.339 4.467 50 0 JIAARN CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)ccc1Cl ZINC000012764697 195112751 /nfs/dbraw/zinc/11/27/51/195112751.db2.gz ULPFDBBTKZPTCX-UHFFFAOYSA-N 0 0 475.979 4.390 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCC[C@@H]3CCCC[C@H]31)n(Cc1ccco1)c2=O ZINC000012765763 195113442 /nfs/dbraw/zinc/11/34/42/195113442.db2.gz DBJYDSCMIXNEQV-HTAPYJJXSA-N 0 0 495.601 4.098 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCC[C@H]3CCCC[C@H]31)n(Cc1ccco1)c2=O ZINC000012765770 195113608 /nfs/dbraw/zinc/11/36/08/195113608.db2.gz DBJYDSCMIXNEQV-VGOFRKELSA-N 0 0 495.601 4.098 50 0 JIAARN CSCC[C@@H](C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)N1C(=O)c2ccccc2C1=O ZINC000012767023 195114463 /nfs/dbraw/zinc/11/44/63/195114463.db2.gz TWMNCMAZOHVWSA-IBGZPJMESA-N 0 0 487.553 4.369 50 0 JIAARN O=C(CN1CCC(C(=O)NCc2ccccc2)CC1)Nc1ccc(Br)cc1Cl ZINC000012767478 195114817 /nfs/dbraw/zinc/11/48/17/195114817.db2.gz XUFUUZGNRCIGGH-UHFFFAOYSA-N 0 0 464.791 4.069 50 0 JIAARN Cc1sc2nc(C)nc(S[C@H](C)C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c2c1C ZINC000012770972 195117484 /nfs/dbraw/zinc/11/74/84/195117484.db2.gz AXPVTPYDQABKCM-CQSZACIVSA-N 0 0 478.665 4.295 50 0 JIAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000012770485 195117318 /nfs/dbraw/zinc/11/73/18/195117318.db2.gz SANZPZMFEARFRB-UHFFFAOYSA-N 0 0 460.431 4.230 50 0 JIAARN CN(CC(=O)Nc1ccc2c(c1)OCCCO2)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012774821 195119878 /nfs/dbraw/zinc/11/98/78/195119878.db2.gz HGMMMMOZZYWQLG-UHFFFAOYSA-N 0 0 471.863 4.029 50 0 JIAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccccc1OCCOc1ccccc1 ZINC000012775324 195120361 /nfs/dbraw/zinc/12/03/61/195120361.db2.gz VZZJXDOZDFUXOT-JOCHJYFZSA-N 0 0 452.576 4.009 50 0 JIAARN CCOc1ccc(CN(C)C(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)cc1 ZINC000012776605 195121340 /nfs/dbraw/zinc/12/13/40/195121340.db2.gz PEYVCHAWUYLZHX-UHFFFAOYSA-N 0 0 470.616 4.166 50 0 JIAARN O=C(COc1ccc(Br)cc1Br)NCCc1cccc2cccnc21 ZINC000012778706 195122757 /nfs/dbraw/zinc/12/27/57/195122757.db2.gz SBPJYONOXROBIK-UHFFFAOYSA-N 0 0 464.157 4.498 50 0 JIAARN CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1-c1ccccc1OC ZINC000012780530 195124194 /nfs/dbraw/zinc/12/41/94/195124194.db2.gz RMUINOWZTHSNRB-LJQANCHMSA-N 0 0 480.590 4.201 50 0 JIAARN Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000012783062 195125683 /nfs/dbraw/zinc/12/56/83/195125683.db2.gz ONIQITQHUFXJLB-NYYWCZLTSA-N 0 0 454.479 4.316 50 0 JIAARN O=C(CSc1n[nH]c(-c2ccccc2Br)n1)NCCc1cccc(Cl)c1 ZINC000012790756 195131619 /nfs/dbraw/zinc/13/16/19/195131619.db2.gz DUUCMONQSKONRQ-UHFFFAOYSA-N 0 0 451.777 4.339 50 0 JIAARN CCCn1c(S[C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)nc2ccccc2c1=O ZINC000012791069 195131959 /nfs/dbraw/zinc/13/19/59/195131959.db2.gz ARIGTPJHJPBPJA-SIGOSDGXSA-N 0 0 468.623 4.082 50 0 JIAARN Cc1ccc(NC(=O)c2cncc(Br)c2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000012791979 195132742 /nfs/dbraw/zinc/13/27/42/195132742.db2.gz MKDSTHXFMKUXGE-UHFFFAOYSA-N 0 0 464.316 4.345 50 0 JIAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 ZINC000012791844 195132767 /nfs/dbraw/zinc/13/27/67/195132767.db2.gz SLSKQVBXANPQKM-HXUWFJFHSA-N 0 0 469.994 4.444 50 0 JIAARN COc1ccc(CN(C)C(=O)CSc2nnc(NC3CCCCC3)s2)c(OC)c1OC ZINC000012793665 195134047 /nfs/dbraw/zinc/13/40/47/195134047.db2.gz LNCASNKYPFJYPX-UHFFFAOYSA-N 0 0 466.629 4.059 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012797196 195136779 /nfs/dbraw/zinc/13/67/79/195136779.db2.gz UXYUKRSEDBSFAP-UHFFFAOYSA-N 0 0 491.617 4.473 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N(Cc3ccc(F)cc3)C3CC3)CC2)c(C)c1 ZINC000012797098 195136824 /nfs/dbraw/zinc/13/68/24/195136824.db2.gz VULIFJXZKICWER-UHFFFAOYSA-N 0 0 458.599 4.343 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1C ZINC000012801201 195139270 /nfs/dbraw/zinc/13/92/70/195139270.db2.gz HSCRFQGGNBIWAM-PMACEKPBSA-N 0 0 472.607 4.157 50 0 JIAARN CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1S(=O)(=O)N(CC)CC ZINC000012807307 195142243 /nfs/dbraw/zinc/14/22/43/195142243.db2.gz JXUBFMANHRPGFM-OAHLLOKOSA-N 0 0 454.976 4.175 50 0 JIAARN O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000012808669 195143064 /nfs/dbraw/zinc/14/30/64/195143064.db2.gz CHMFISQYSKSQKN-UHFFFAOYSA-N 0 0 458.392 4.496 50 0 JIAARN CCOc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1S(=O)(=O)N(CC)CC ZINC000012809104 195143220 /nfs/dbraw/zinc/14/32/20/195143220.db2.gz JAXHZGLRTGCZSQ-UHFFFAOYSA-N 0 0 459.593 4.492 50 0 JIAARN CC[C@@H](c1nnc(SCC(=O)NCc2ccc(C)c(F)c2)n1Cc1ccccc1)N(C)C ZINC000012809486 195143530 /nfs/dbraw/zinc/14/35/30/195143530.db2.gz NXSNGCITMHXATN-NRFANRHFSA-N 0 0 455.603 4.195 50 0 JIAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000012814423 195146155 /nfs/dbraw/zinc/14/61/55/195146155.db2.gz WGVWCMGUWVOSQC-LJQANCHMSA-N 0 0 467.620 4.045 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)Nc1cccc2ncccc21 ZINC000012816598 195147119 /nfs/dbraw/zinc/14/71/19/195147119.db2.gz KQJZNDCFZZYDIN-UHFFFAOYSA-N 0 0 450.848 4.416 50 0 JIAARN CC1=C(C(=O)N(C)C)[C@H](c2ccccc2Br)NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000012822786 195150021 /nfs/dbraw/zinc/15/00/21/195150021.db2.gz ZRHIPOZFHPLNQW-FQEVSTJZSA-N 0 0 488.407 4.018 50 0 JIAARN Cc1cnc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)cn1 ZINC000012822447 195150128 /nfs/dbraw/zinc/15/01/28/195150128.db2.gz CELZCJYHIWYEOJ-INIZCTEOSA-N 0 0 459.369 4.497 50 0 JIAARN Cc1nc(COc2ccccc2/C=C/C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cs1 ZINC000012824390 195150495 /nfs/dbraw/zinc/15/04/95/195150495.db2.gz ATWVYMHRXUKEPT-UWHSVAFCSA-N 0 0 463.603 4.233 50 0 JIAARN O=C(NCc1ccccc1OC(F)F)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000012827543 195151108 /nfs/dbraw/zinc/15/11/08/195151108.db2.gz CYDYYWKUKOXNNH-UHFFFAOYSA-N 0 0 450.438 4.158 50 0 JIAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000012848884 195153738 /nfs/dbraw/zinc/15/37/38/195153738.db2.gz LLKPSWIKGBBMFT-LJQANCHMSA-N 0 0 455.942 4.187 50 0 JIAARN O=C(CN[C@H](c1cccs1)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000012850282 195154510 /nfs/dbraw/zinc/15/45/10/195154510.db2.gz HOGVTEBWKRHADE-DEOSSOPVSA-N 0 0 469.632 4.240 50 0 JIAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC000012851636 195154940 /nfs/dbraw/zinc/15/49/40/195154940.db2.gz SEZUWZJVQURDQY-UHFFFAOYSA-N 0 0 486.977 4.209 50 0 JIAARN COc1ccccc1OCCNC(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)c1ccccc1 ZINC000012852488 195155254 /nfs/dbraw/zinc/15/52/54/195155254.db2.gz FPUJFIMBWNBJCV-LJQANCHMSA-N 0 0 489.597 4.302 50 0 JIAARN O=C(/C=C/c1cc(Cl)cc(Cl)c1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000012866968 195161685 /nfs/dbraw/zinc/16/16/85/195161685.db2.gz FGPZYLXVNVTVLP-AATRIKPKSA-N 0 0 452.769 4.443 50 0 JIAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NCc2ccccc2)C(=O)[C@]31C ZINC000012866440 195161693 /nfs/dbraw/zinc/16/16/93/195161693.db2.gz GGAIGTIPCJENLO-LJAQVGFWSA-N 0 0 494.551 4.347 50 0 biogenic JIAARN COc1cc2c(c3oc(=O)c(CC(=O)N[C@@H](C)CCc4ccco4)c(C)c13)CCC(C)(C)O2 ZINC000012899050 195176647 /nfs/dbraw/zinc/17/66/47/195176647.db2.gz WDQFKSZCFUYQOB-HNNXBMFYSA-N 0 0 453.535 4.487 50 0 biogenic JIAARN COc1ccc(-n2c(SCC(=O)NC(C)C)nc3sc4c(c3c2=O)CCCS4)cc1 ZINC000012867244 195161949 /nfs/dbraw/zinc/16/19/49/195161949.db2.gz RYJFZVVXMSPYGR-UHFFFAOYSA-N 0 0 461.634 4.111 50 0 JIAARN CC(C)CCOc1ccc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)cc1 ZINC000012900584 195177371 /nfs/dbraw/zinc/17/73/71/195177371.db2.gz JVGHFEXUZVLLOO-UHFFFAOYSA-N 0 0 494.661 4.246 50 0 JIAARN CC(C)C[C@@H](C(=O)NCCc1ccc(F)cc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012875829 195166163 /nfs/dbraw/zinc/16/61/63/195166163.db2.gz PZNDZYGWGFCSEA-FIPFOOKPSA-N 0 0 490.579 4.116 50 0 biogenic JIAARN O=C(Nc1ncc(Cc2ccccc2)s1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000012880877 195168377 /nfs/dbraw/zinc/16/83/77/195168377.db2.gz KBUMPKYISUVIGX-UHFFFAOYSA-N 0 0 461.996 4.424 50 0 JIAARN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 ZINC000012880912 195168380 /nfs/dbraw/zinc/16/83/80/195168380.db2.gz IEAGEOACUCKACN-UHFFFAOYSA-N 0 0 455.580 4.019 50 0 JIAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCC1 ZINC000012887741 195171218 /nfs/dbraw/zinc/17/12/18/195171218.db2.gz KAZXLFVXZATPTP-KTIISADKSA-N 0 0 498.627 4.228 50 0 biogenic JIAARN CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)C(=O)NC1CC1 ZINC000012894903 195174868 /nfs/dbraw/zinc/17/48/68/195174868.db2.gz YFCLQDZVHFOVQY-HDBFHEOPSA-N 0 0 465.594 4.054 50 0 biogenic JIAARN Cc1ccc(N(Cc2ccccc2)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000012896731 195175627 /nfs/dbraw/zinc/17/56/27/195175627.db2.gz KJYKWEOODAHGSJ-UHFFFAOYSA-N 0 0 464.587 4.171 50 0 JIAARN COc1cc(NC(=O)Cc2c(C)c3c(OC)cc4c(c3oc2=O)CCC(C)(C)O4)cc(OC)c1OC ZINC000012900676 195177342 /nfs/dbraw/zinc/17/73/42/195177342.db2.gz ZPGCKWGFYVUVOK-UHFFFAOYSA-N 0 0 497.544 4.421 50 0 biogenic JIAARN CCOC(CCn1c(SCC(=O)Nc2ccccc2CC)nc2ccccc2c1=O)OCC ZINC000020644274 195194446 /nfs/dbraw/zinc/19/44/46/195194446.db2.gz NSXCCGMMVXCKHW-UHFFFAOYSA-N 0 0 469.607 4.479 50 0 JIAARN O=C(COc1ccc(C2SCCCS2)cc1)NCc1ccccc1CN1CCOCC1 ZINC000012902132 195177821 /nfs/dbraw/zinc/17/78/21/195177821.db2.gz PWCPYEWXXQXQPA-UHFFFAOYSA-N 0 0 458.649 4.083 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)c1 ZINC000012903817 195178644 /nfs/dbraw/zinc/17/86/44/195178644.db2.gz ADAYBZJQBYIKQA-UHFFFAOYSA-N 0 0 488.013 4.218 50 0 JIAARN C[C@@H]1Oc2ccc(NC(=O)Cc3csc(-c4cccc(Br)c4)n3)cc2NC1=O ZINC000012904435 195178887 /nfs/dbraw/zinc/17/88/87/195178887.db2.gz NAOHFTILYGMZFT-NSHDSACASA-N 0 0 458.337 4.473 50 0 JIAARN CN1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c2nc3ccccc3nc21 ZINC000012904730 195178957 /nfs/dbraw/zinc/17/89/57/195178957.db2.gz WGYCVJYVBCJWDJ-GOSISDBHSA-N 0 0 463.969 4.009 50 0 JIAARN Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 ZINC000012905153 195179258 /nfs/dbraw/zinc/17/92/58/195179258.db2.gz WEUCCDPBBSUWEP-UHFFFAOYSA-N 0 0 468.550 4.002 50 0 JIAARN COc1ccc(NC(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1OC(F)F ZINC000012905889 195179671 /nfs/dbraw/zinc/17/96/71/195179671.db2.gz NJPVFQBHALOPRW-NSHDSACASA-N 0 0 469.535 4.472 50 0 JIAARN C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000012906485 195179994 /nfs/dbraw/zinc/17/99/94/195179994.db2.gz QWRWXGRICOLAOK-SCLBCKFNSA-N 0 0 471.804 4.133 50 0 JIAARN O=C(c1cc(C2CC2)nn1-c1ccccc1)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000012907171 195180296 /nfs/dbraw/zinc/18/02/96/195180296.db2.gz FURRAZBAEWNLDZ-RUZDIDTESA-N 0 0 456.546 4.170 50 0 JIAARN COc1cc(C2=N/C(=C\c3coc4c(Cl)cc(Cl)cc4c3=O)C(=O)O2)cc(OC)c1OC ZINC000020615656 195187633 /nfs/dbraw/zinc/18/76/33/195187633.db2.gz CBMFEYCHFXDTMV-TVPGTPATSA-N 0 0 476.268 4.470 50 0 biogenic JIAARN CCn1cc(Cn2nc(C)c(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)c2C)c(C)n1 ZINC000020616968 195188727 /nfs/dbraw/zinc/18/87/27/195188727.db2.gz YGCLRGBAYPRMJV-UHFFFAOYSA-N 0 0 465.505 4.292 50 0 JIAARN COc1ccc(OC)c(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(F)cc2F)c1 ZINC000020617096 195188994 /nfs/dbraw/zinc/18/89/94/195188994.db2.gz XETXISUQOZUWQN-JVCXMKTPSA-N 0 0 481.455 4.409 50 0 JIAARN O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000020735916 195212666 /nfs/dbraw/zinc/21/26/66/195212666.db2.gz XOMMEEQIOINHIF-AREMUKBSSA-N 0 0 456.546 4.085 50 0 JIAARN O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000020722919 195206685 /nfs/dbraw/zinc/20/66/85/195206685.db2.gz XUPOHJHOIKYWFL-GOSISDBHSA-N 0 0 483.288 4.292 50 0 JIAARN O=S(=O)(c1ccc(F)cc1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2nccnc2c1 ZINC000020724761 195206916 /nfs/dbraw/zinc/20/69/16/195206916.db2.gz CQZJPYYRTHEHLC-QHCPKHFHSA-N 0 0 450.470 4.448 50 0 JIAARN Cc1ccc(C(=O)N/C(=C/C=C/c2ccccc2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1C ZINC000020663036 195196802 /nfs/dbraw/zinc/19/68/02/195196802.db2.gz HSDXBMWGWFFHTL-FEVQWAJJSA-N 0 0 493.607 4.438 50 0 biogenic JIAARN CC1=CC2=N[C@](Cc3ccc(Br)cc3)(NC(=O)c3cccc(Cl)c3)C(=O)N2C=C1 ZINC000020849665 195230850 /nfs/dbraw/zinc/23/08/50/195230850.db2.gz YUXVATCTGFVSEI-JOCHJYFZSA-N 0 0 470.754 4.486 50 0 JIAARN COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1OC(F)(F)F ZINC000020745241 195215015 /nfs/dbraw/zinc/21/50/15/195215015.db2.gz ORCPLJLFNJLBJP-LJQANCHMSA-N 0 0 460.412 4.275 50 0 JIAARN COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1OC(F)(F)F ZINC000020745240 195215100 /nfs/dbraw/zinc/21/51/00/195215100.db2.gz ORCPLJLFNJLBJP-IBGZPJMESA-N 0 0 460.412 4.275 50 0 JIAARN COc1ccc(-c2c3c(c4n2-c2ccccc2N[C@@H]4c2ccccc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000020898586 195240580 /nfs/dbraw/zinc/24/05/80/195240580.db2.gz MUGWLPBADUYXCQ-HSZRJFAPSA-N 0 0 464.525 4.218 50 0 JIAARN O=S(=O)(c1nnn2c3ccsc3c(NCc3cccs3)nc12)c1cccc(Cl)c1 ZINC000020922296 195248070 /nfs/dbraw/zinc/24/80/70/195248070.db2.gz RNXSHTHFCLDSHA-UHFFFAOYSA-N 0 0 461.981 4.499 50 0 JIAARN CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2ccc(C(C)=O)cc2)c1=O ZINC000020899531 195240903 /nfs/dbraw/zinc/24/09/03/195240903.db2.gz AFFMPDLRYAELPE-UHFFFAOYSA-N 0 0 468.513 4.253 50 0 JIAARN CC(=O)Nc1ccc(CN2CCc3c(cnc(C)c3CNC(=O)CSc3ccccc3)C2)s1 ZINC000020920945 195248123 /nfs/dbraw/zinc/24/81/23/195248123.db2.gz LGXVPLYJLMWSMV-UHFFFAOYSA-N 0 0 480.659 4.377 50 0 JIAARN COc1ccc(OC)c(CCNC(=O)[C@@H]2CCCN(c3nc4ccccc4n4cccc34)C2)c1 ZINC000020902683 195242042 /nfs/dbraw/zinc/24/20/42/195242042.db2.gz RBHATRDIUYADSD-HXUWFJFHSA-N 0 0 458.562 4.080 50 0 JIAARN CCCCc1nn2c(nc(COc3cccc(NC(=O)c4ccc(OC)c(OC)c4)c3)cc2=O)s1 ZINC000020859340 195232967 /nfs/dbraw/zinc/23/29/67/195232967.db2.gz IFACVTPWLWHPDX-UHFFFAOYSA-N 0 0 494.573 4.342 50 0 JIAARN CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)Nc1sccc1C(N)=O ZINC000020864840 195234234 /nfs/dbraw/zinc/23/42/34/195234234.db2.gz BKNNNBCRHJZSFK-UHFFFAOYSA-N 0 0 490.661 4.091 50 0 JIAARN COc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc(OC)c1O ZINC000020891395 195237595 /nfs/dbraw/zinc/23/75/95/195237595.db2.gz CPMUBEPZDPYQMM-FQEVSTJZSA-N 0 0 468.560 4.288 50 0 JIAARN Cc1cc(NS(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)ccc1Br ZINC000020893851 195238554 /nfs/dbraw/zinc/23/85/54/195238554.db2.gz WKIYJZPWYDYKGS-UHFFFAOYSA-N 0 0 488.407 4.496 50 0 JIAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)c2c1 ZINC000020940123 195254869 /nfs/dbraw/zinc/25/48/69/195254869.db2.gz FVYAROSEROOOAW-UHFFFAOYSA-N 0 0 471.513 4.032 50 0 JIAARN COc1ccc([C@@H](CNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)N2CCOCC2)cc1 ZINC000020926828 195249260 /nfs/dbraw/zinc/24/92/60/195249260.db2.gz FZQMBQGIMDEDKK-HSZRJFAPSA-N 0 0 483.012 4.014 50 0 JIAARN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1cccc2ccccc21 ZINC000020932412 195251820 /nfs/dbraw/zinc/25/18/20/195251820.db2.gz VAYHBKNQPUINDH-HSZRJFAPSA-N 0 0 462.546 4.348 50 0 JIAARN CCc1nn2c(nc(CSc3ccccc3NC(=O)c3cccc(OC)c3)cc2=O)s1 ZINC000020983007 195259430 /nfs/dbraw/zinc/25/94/30/195259430.db2.gz QDIMTQQNTIOAFP-UHFFFAOYSA-N 0 0 452.561 4.267 50 0 JIAARN COc1ccc([C@@H](CC(=O)N2CCN(c3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1OC ZINC000020936084 195252889 /nfs/dbraw/zinc/25/28/89/195252889.db2.gz OTOMRQMQULHASW-RUZDIDTESA-N 0 0 485.584 4.140 50 0 JIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCN(C(=O)Nc3ccccc3F)CC1)nnc2C ZINC000020987701 195261179 /nfs/dbraw/zinc/26/11/79/195261179.db2.gz URNRJCLOQXRCSY-UHFFFAOYSA-N 0 0 459.529 4.234 50 0 JIAARN COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)n2)cc1OC ZINC000020988954 195261359 /nfs/dbraw/zinc/26/13/59/195261359.db2.gz FJPHLZMKRFARET-LJQANCHMSA-N 0 0 487.603 4.009 50 0 JIAARN CCOc1ccc(CN2CCc3nc(Nc4cc(OC)cc(OC)c4)ncc3C2)cc1OC ZINC000021038704 195270381 /nfs/dbraw/zinc/27/03/81/195270381.db2.gz JTHMCKLOJOVWMP-UHFFFAOYSA-N 0 0 450.539 4.203 50 0 JIAARN Cc1ccc(NC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)c(Br)c1 ZINC000021049358 195272301 /nfs/dbraw/zinc/27/23/01/195272301.db2.gz ZSJXQQJYLWMPNO-UHFFFAOYSA-N 0 0 453.340 4.252 50 0 JIAARN O=C(NCc1ccccc1Br)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021049765 195272625 /nfs/dbraw/zinc/27/26/25/195272625.db2.gz MHDMHZYZBZTTSN-UHFFFAOYSA-N 0 0 487.785 4.275 50 0 JIAARN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)ccc21 ZINC000021053827 195273473 /nfs/dbraw/zinc/27/34/73/195273473.db2.gz GXYPRYPNSDTFHV-XMMPIXPASA-N 0 0 465.619 4.256 50 0 JIAARN O=C(CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1)N1CCCc2ccccc21 ZINC000021117846 195279305 /nfs/dbraw/zinc/27/93/05/195279305.db2.gz VQYHZUFUANJJIY-UHFFFAOYSA-N 0 0 477.611 4.464 50 0 JIAARN COc1cc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc(OC)c1OC ZINC000021148640 195281858 /nfs/dbraw/zinc/28/18/58/195281858.db2.gz IXQJBPJTDIEBKL-VWLOTQADSA-N 0 0 495.576 4.477 50 0 JIAARN COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)c(C)c3)c3nc(C)ccc3c2=O)cc1 ZINC000021151420 195283075 /nfs/dbraw/zinc/28/30/75/195283075.db2.gz FLGJWUSJZVBCKN-UHFFFAOYSA-N 0 0 455.514 4.200 50 0 JIAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)NCCCn1c2ncccc2nc1-c1ccc(C)cc1 ZINC000021155547 195284596 /nfs/dbraw/zinc/28/45/96/195284596.db2.gz REJNGZWCKYORPD-UHFFFAOYSA-N 0 0 477.590 4.042 50 0 JIAARN COC(=O)c1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000021156977 195285271 /nfs/dbraw/zinc/28/52/71/195285271.db2.gz FPBDINSVLBGAKA-UHFFFAOYSA-N 0 0 458.474 4.013 50 0 JIAARN COc1ccc(OC)c(CNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)c1 ZINC000021166790 195288900 /nfs/dbraw/zinc/28/89/00/195288900.db2.gz BQGNMIWIFLYUJE-UHFFFAOYSA-N 0 0 463.964 4.303 50 0 JIAARN CCOc1cc(C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCC4)cc(OCC)c1OCC ZINC000021164423 195288949 /nfs/dbraw/zinc/28/89/49/195288949.db2.gz YHELWGCMXRHYAP-UHFFFAOYSA-N 0 0 451.523 4.181 50 0 JIAARN CCOc1ccc(-n2c(C)nnc2SCc2nc(-c3cc(OC)ccc3OC)no2)cc1 ZINC000021168916 195289158 /nfs/dbraw/zinc/28/91/58/195289158.db2.gz OITMEZGABJVFEB-UHFFFAOYSA-N 0 0 453.524 4.334 50 0 JIAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2nn(-c3ccccc3)c(=S)s2)cc1 ZINC000021231138 195291829 /nfs/dbraw/zinc/29/18/29/195291829.db2.gz MCKJQSKNUFCBBP-AWEZNQCLSA-N 0 0 494.689 4.469 50 0 JIAARN CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1 ZINC000021282589 195292926 /nfs/dbraw/zinc/29/29/26/195292926.db2.gz FICMMRNTWNZVSE-UHFFFAOYSA-N 0 0 455.514 4.052 50 0 JIAARN O=C(COC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21)N1CCSc2ccccc21 ZINC000021328580 195294522 /nfs/dbraw/zinc/29/45/22/195294522.db2.gz FOKQEAYTPAPGQP-WOJBJXKFSA-N 0 0 464.587 4.064 50 0 JIAARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000021345233 195295787 /nfs/dbraw/zinc/29/57/87/195295787.db2.gz OWIQWQCHZMIWID-UHFFFAOYSA-N 0 0 474.542 4.270 50 0 JIAARN COc1ccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)cc1OC ZINC000021352567 195296861 /nfs/dbraw/zinc/29/68/61/195296861.db2.gz GFXWRNISXRHRGM-MRXNPFEDSA-N 0 0 483.634 4.402 50 0 JIAARN CCCCc1ccc(NC(=O)Cn2c3nc(N4CCC(C)CC4)sc3c(=O)n(CCC)c2=O)cc1 ZINC000021359654 195298694 /nfs/dbraw/zinc/29/86/94/195298694.db2.gz ZOFNXLYKQRTUIG-UHFFFAOYSA-N 0 0 497.665 4.247 50 0 JIAARN CCCCc1ccc(NC(=O)Cn2c3nc(N4CCCCC4)sc3c(=O)n(CCC)c2=O)cc1 ZINC000021359767 195298865 /nfs/dbraw/zinc/29/88/65/195298865.db2.gz WFACRHARUQMHKW-UHFFFAOYSA-N 0 0 483.638 4.001 50 0 JIAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 ZINC000021447002 195301505 /nfs/dbraw/zinc/30/15/05/195301505.db2.gz JBFDNMLKCJRKFW-HNNXBMFYSA-N 0 0 490.965 4.471 50 0 JIAARN 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/nfs/dbraw/zinc/23/71/81/518237181.db2.gz CQAHAVGEEKTJQY-UHFFFAOYSA-N 0 0 493.727 4.482 50 0 JIAARN CC(=O)c1ccc(N2CCN(C(=O)Cc3csc(COc4ccc(C)cc4)n3)CC2)c(F)c1 ZINC000016263493 518346838 /nfs/dbraw/zinc/34/68/38/518346838.db2.gz IHNRWSZEQKUAKS-UHFFFAOYSA-N 0 0 467.566 4.264 50 0 JIAARN CC(=O)c1ccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N4CCCC4)ccc3n2)cc1 ZINC000033087587 518362512 /nfs/dbraw/zinc/36/25/12/518362512.db2.gz QIHNIEVRYKQDLS-UHFFFAOYSA-N 0 0 483.615 4.261 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N2CCOc3ccc(COCc4cccc(F)c4)cc3C2)cc1 ZINC000033170893 518404461 /nfs/dbraw/zinc/40/44/61/518404461.db2.gz AWXNUFMKTFLCSM-UHFFFAOYSA-N 0 0 469.534 4.328 50 0 JIAARN C/C=C(\C)CNc1cnc2c(c1)c(NC(=O)[C@@H]1CCOC1)c(C(=O)OC)n2CCc1ccccc1 ZINC000014744145 518485381 /nfs/dbraw/zinc/48/53/81/518485381.db2.gz WHKIPNVHKBXWLL-KZVITGMHSA-N 0 0 476.577 4.419 50 0 JIAARN CC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)nc1Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000020463377 518495756 /nfs/dbraw/zinc/49/57/56/518495756.db2.gz 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/nfs/dbraw/zinc/71/67/22/519716722.db2.gz WRVLEQQAEWERST-UHFFFAOYSA-N 0 0 466.538 4.318 50 0 JIAARN CC(C)CN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000036249348 519717561 /nfs/dbraw/zinc/71/75/61/519717561.db2.gz ANTRUTAZBNSAGG-UHFFFAOYSA-N 0 0 494.567 4.260 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2CN(C(=O)C(C)C)C2CC2)cc1 ZINC000037423080 519732414 /nfs/dbraw/zinc/73/24/14/519732414.db2.gz MSZTYCABABIKFX-UHFFFAOYSA-N 0 0 464.971 4.213 50 0 JIAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000009031769 519733098 /nfs/dbraw/zinc/73/30/98/519733098.db2.gz QHTJNHMZXOZOLU-IBGZPJMESA-N 0 0 496.585 4.136 50 0 JIAARN CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)C1 ZINC000021710744 519741022 /nfs/dbraw/zinc/74/10/22/519741022.db2.gz AGMHBVZQHZKYKX-NRFANRHFSA-N 0 0 499.677 4.409 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(C)c3)cs2)c1 ZINC000008850081 519742426 /nfs/dbraw/zinc/74/24/26/519742426.db2.gz 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CCOCCCNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1ccccc1F ZINC000033265414 519891935 /nfs/dbraw/zinc/89/19/35/519891935.db2.gz NZAYXNORESKLQT-QFIPXVFZSA-N 0 0 455.555 4.040 50 0 JIAARN CCNC(=S)N(Cc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000002746780 519902676 /nfs/dbraw/zinc/90/26/76/519902676.db2.gz FOHUZUPXFUMXIZ-QGZVFWFLSA-N 0 0 480.815 4.131 50 0 JIAARN CC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)N2CCC[C@H](c3ccccc3)C2)c1 ZINC000012330724 519943587 /nfs/dbraw/zinc/94/35/87/519943587.db2.gz MIOOIFHVFNBBCH-QHCPKHFHSA-N 0 0 457.574 4.379 50 0 JIAARN CCCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(C(=O)OC)cc2)C1=O ZINC000002147213 520077992 /nfs/dbraw/zinc/07/79/92/520077992.db2.gz KSEZDMIBYPOAGV-OZXSUGGESA-N 0 0 473.573 4.220 50 0 biogenic JIAARN CCN(C(C)=O)c1nc2ccccc2n(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1=O ZINC000064987644 520135146 /nfs/dbraw/zinc/13/51/46/520135146.db2.gz JITYHVWENJSVQX-UHFFFAOYSA-N 0 0 466.847 4.080 50 0 JIAARN CCOP(=O)(OCC)[C@@H](OC(N)=O)c1ccc([C@@H](OC(N)=O)P(=O)(OCC)OCC)cc1 ZINC000016134226 520241918 /nfs/dbraw/zinc/24/19/18/520241918.db2.gz YPUITVXDUCNSDS-IYBDPMFKSA-N 0 0 496.390 4.407 50 0 JIAARN CCCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000016700117 520250370 /nfs/dbraw/zinc/25/03/70/520250370.db2.gz SKJZNEHRUOXTDP-BTZCDPCDSA-N 0 0 496.654 4.429 50 0 JIAARN CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)N3CCN(Cc4ccccc4)CC3)c2C1 ZINC000065000098 520275706 /nfs/dbraw/zinc/27/57/06/520275706.db2.gz SJGHKBRBBCRRHY-UHFFFAOYSA-N 0 0 487.575 4.090 50 0 JIAARN CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)N3CCN(c4ccccc4F)CC3)c2C1 ZINC000065000070 520277460 /nfs/dbraw/zinc/27/74/60/520277460.db2.gz ZZYSJZKJDSXFEA-UHFFFAOYSA-N 0 0 491.538 4.233 50 0 JIAARN CCCOc1c(OC)cc(Cl)cc1[C@H]1NC(=S)NC(C)=C1C(=O)NCc1ccccc1 ZINC000016382592 520297664 /nfs/dbraw/zinc/29/76/64/520297664.db2.gz KGVZADOFRNSFSH-HXUWFJFHSA-N 0 0 459.999 4.247 50 0 JIAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1C ZINC000008589918 520318863 /nfs/dbraw/zinc/31/88/63/520318863.db2.gz NEELYOVHABVRTG-XMMPIXPASA-N 0 0 460.534 4.437 50 0 JIAARN CCCCCc1ccc(S(=O)(=O)Nc2cc(C(=O)OCC)ccc2N2CCOCC2)cc1 ZINC000008626525 520326891 /nfs/dbraw/zinc/32/68/91/520326891.db2.gz WCUXRRPFFRUDAR-UHFFFAOYSA-N 0 0 460.596 4.233 50 0 JIAARN CCCCN(C(=O)c1cccc(Oc2ccccc2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000014135901 520360807 /nfs/dbraw/zinc/36/08/07/520360807.db2.gz AHXJYVMDNHKOLP-UHFFFAOYSA-N 0 0 450.539 4.014 50 0 JIAARN CCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000048310502 520365409 /nfs/dbraw/zinc/36/54/09/520365409.db2.gz MWURGQNBIKGIEH-UHFFFAOYSA-N 0 0 496.210 4.414 50 0 JIAARN CCCOc1ccc(Cn2c3nn(Cc4cccc(C)c4)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946627 520381558 /nfs/dbraw/zinc/38/15/58/520381558.db2.gz VUJKJSLXSLEDRW-UHFFFAOYSA-N 0 0 460.559 4.066 50 0 JIAARN CCCCN(C)C(=O)c1cn(CCc2ccccn2)cc(C(=O)NC2CCCCCCC2)c1=O ZINC000012457080 520394871 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495.620 4.437 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCc3c(c(COCc4ccc(Cl)cc4)nn3C)C2)c(C)c1 ZINC000033140428 524320730 /nfs/dbraw/zinc/32/07/30/524320730.db2.gz XYWOBZHYRWIXFL-UHFFFAOYSA-N 0 0 474.026 4.463 50 0 JIAARN Cc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)NCc4cc(C(C)C)no4)c3)c2)c1 ZINC000014987218 524344856 /nfs/dbraw/zinc/34/48/56/524344856.db2.gz WJMYEBFNADQDRO-UHFFFAOYSA-N 0 0 457.534 4.403 50 0 JIAARN COc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(=O)(=O)c2ccccc2)cc1OC ZINC000002812928 524364075 /nfs/dbraw/zinc/36/40/75/524364075.db2.gz CLOFAZVTFFCFFU-UHFFFAOYSA-N 0 0 472.588 4.260 50 0 JIAARN COc1ccccc1CCC(=O)NCc1nnc(SCc2ccncc2)n1Cc1ccccc1 ZINC000012218188 524395410 /nfs/dbraw/zinc/39/54/10/524395410.db2.gz MXFQWTXDWNJFRT-UHFFFAOYSA-N 0 0 473.602 4.271 50 0 JIAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCc3cccs3)C2=S)cc1 ZINC000012420771 524396784 /nfs/dbraw/zinc/39/67/84/524396784.db2.gz VWNUVVCNZSOZCE-NRFANRHFSA-N 0 0 483.590 4.469 50 0 JIAARN COc1ccccc1CCC(=O)Nc1cnn(CC(=O)N[C@H](C)c2cccc3ccccc32)c1 ZINC000014964093 524397822 /nfs/dbraw/zinc/39/78/22/524397822.db2.gz SNLICVARNCZJTP-LJQANCHMSA-N 0 0 456.546 4.494 50 0 JIAARN COc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)cc1OC ZINC000021863613 524399246 /nfs/dbraw/zinc/39/92/46/524399246.db2.gz UBXXULJKTBIMCG-AREMUKBSSA-N 0 0 463.534 4.243 50 0 JIAARN COc1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCC2)c(OC)c1 ZINC000035482075 524399259 /nfs/dbraw/zinc/39/92/59/524399259.db2.gz ZKEHONHLPCQPDS-XMMPIXPASA-N 0 0 453.564 4.198 50 0 JIAARN C[C@@H]1CCC[C@H](NC(=O)c2cnc3ccc(S(=O)(=O)Nc4ccccc4F)cc3c2O)[C@@H]1C ZINC000009833847 524405350 /nfs/dbraw/zinc/40/53/50/524405350.db2.gz NULDWJDISQXNFP-SXGZJXTBSA-N 0 0 471.554 4.023 50 0 JIAARN Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)N3CCN(c4ccccc4)CC3)CC2=O)c1 ZINC000011445618 524414042 /nfs/dbraw/zinc/41/40/42/524414042.db2.gz HEPLHLXEYKYOQQ-QHCPKHFHSA-N 0 0 496.611 4.257 50 0 JIAARN Cc1cccc(CNC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4ccc(C)c(Cl)c4)n3)C2)c1 ZINC000064928699 524423760 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ZINC000008710488 527552567 /nfs/dbraw/zinc/55/25/67/527552567.db2.gz ZOJOZOKNDVWILK-UHFFFAOYSA-N 0 0 459.583 4.061 50 0 JIAARN Cn1nc(CN(C(=O)c2ccccc2F)c2ccccc2)c2c1CCN(C(=O)NC(C)(C)C)C2 ZINC000033287155 527554299 /nfs/dbraw/zinc/55/42/99/527554299.db2.gz ZBMWNLJDAJGONE-UHFFFAOYSA-N 0 0 463.557 4.272 50 0 JIAARN Cn1ncc(I)c1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000013958253 527573803 /nfs/dbraw/zinc/57/38/03/527573803.db2.gz PGLAWZQAGMTHJT-UHFFFAOYSA-N 0 0 468.364 4.201 50 0 JIAARN O=C(/C=C/c1cccs1)NCc1nnc(SCc2ccncc2)n1-c1ccc(F)cc1 ZINC000014983577 527641598 /nfs/dbraw/zinc/64/15/98/527641598.db2.gz GHEGHFBUQMPOKN-BQYQJAHWSA-N 0 0 451.552 4.485 50 0 JIAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1cc(C)cc(C)c1 ZINC000021882021 527655322 /nfs/dbraw/zinc/65/53/22/527655322.db2.gz GMFLLPLBYBQUIZ-UHFFFAOYSA-N 0 0 460.987 4.141 50 0 JIAARN O[C@@H](COc1ccccc1)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146600 527660843 /nfs/dbraw/zinc/66/08/43/527660843.db2.gz KNSXJQQFPXPRDE-NOZRDPDXSA-N 0 0 452.501 4.400 50 0 JIAARN FC(F)Oc1ccccc1[C@H]1C[C@@H](c2ccc(I)cc2)Nc2nnnn21 ZINC000002918610 527697066 /nfs/dbraw/zinc/69/70/66/527697066.db2.gz XUXMUOIPIQHAGL-UONOGXRCSA-N 0 0 469.233 4.025 50 0 JIAARN CC1(C)Cc2cccc(OCC(=O)N3CCc4nc(NC(=O)c5ccsc5)sc4C3)c2O1 ZINC000096333698 534958162 /nfs/dbraw/zinc/95/81/62/534958162.db2.gz HCBJHVBIMZTSFT-UHFFFAOYSA-N 0 0 469.588 4.134 50 0 JIAARN CC[C@@H](C)N(CCc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COCc1ccccc1 ZINC000096292855 535558165 /nfs/dbraw/zinc/55/81/65/535558165.db2.gz GZTKITZBWNFMDR-GOSISDBHSA-N 0 0 453.539 4.140 50 0 JIAARN COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000102842240 536728826 /nfs/dbraw/zinc/72/88/26/536728826.db2.gz MKVKUCLVLAUIQG-BHIFYINESA-N 0 0 480.879 4.317 50 0 JIAARN COCCNC(=O)c1ccccc1CSc1nnc(-c2ccncc2)n1-c1ccc(OC)cc1 ZINC000096287992 536891578 /nfs/dbraw/zinc/89/15/78/536891578.db2.gz VTJJHQQKAXIQEY-UHFFFAOYSA-N 0 0 475.574 4.006 50 0 JIAARN COc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)NC3CCCCCCC3)CC2)c1 ZINC000096322664 537124701 /nfs/dbraw/zinc/12/47/01/537124701.db2.gz UVFBLFOZHJANJZ-UHFFFAOYSA-N 0 0 491.679 4.110 50 0 JIAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)Nc1ccc2c(c1)OCCO2 ZINC000000628737 553716409 /nfs/dbraw/zinc/71/64/09/553716409.db2.gz XLXVLUGXBWTNDU-UHFFFAOYSA-N 0 0 491.594 4.438 50 0 JIAARN CCOC(=O)c1cc(C(=O)c2ccc(OC)c(OC)c2)n2cnc(-c3ccc(OC)c(OC)c3)cc12 ZINC000000633255 553719360 /nfs/dbraw/zinc/71/93/60/553719360.db2.gz WCGCPISXLHHTDM-UHFFFAOYSA-N 0 0 490.512 4.443 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1OC ZINC000000633445 553719408 /nfs/dbraw/zinc/71/94/08/553719408.db2.gz YMWYRLRABBKNAT-UHFFFAOYSA-N 0 0 461.543 4.442 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)N2CN(c3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000000636378 553721281 /nfs/dbraw/zinc/72/12/81/553721281.db2.gz QAHLTRMQEBOXQH-UHFFFAOYSA-N 0 0 459.531 4.201 50 0 JIAARN Cn1c2nc(SCc3ccc(Cl)cc3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O ZINC000000638320 553722346 /nfs/dbraw/zinc/72/23/46/553722346.db2.gz OQTAOKVPAIOSOO-UHFFFAOYSA-N 0 0 454.983 4.012 50 0 JIAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3 ZINC000000643340 553724665 /nfs/dbraw/zinc/72/46/65/553724665.db2.gz FBPSPDWXYZYPNK-UHFFFAOYSA-N 0 0 479.631 4.076 50 0 JIAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)c1 ZINC000000648885 553730068 /nfs/dbraw/zinc/73/00/68/553730068.db2.gz NLCSECNRMSIKMY-UHFFFAOYSA-N 0 0 480.427 4.159 50 0 JIAARN O=C(c1cccc(COc2cccc(Br)c2)c1)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000000654261 553734822 /nfs/dbraw/zinc/73/48/22/553734822.db2.gz POERTGWZFFDIJZ-LJQANCHMSA-N 0 0 475.236 4.449 50 0 JIAARN Cc1nn(C)c(C(=O)Nc2cccc(Cn3nc(C)c(Br)c3C)c2)c1Br ZINC000000654317 553735086 /nfs/dbraw/zinc/73/50/86/553735086.db2.gz RCBWHRFGIHFMGP-UHFFFAOYSA-N 0 0 481.192 4.367 50 0 JIAARN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000000656532 553736688 /nfs/dbraw/zinc/73/66/88/553736688.db2.gz SSHLPKRBKYFKBJ-UHFFFAOYSA-N 0 0 458.923 4.211 50 0 JIAARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1 ZINC000000665498 553741754 /nfs/dbraw/zinc/74/17/54/553741754.db2.gz UMFCDOMQCMTXDN-UHFFFAOYSA-N 0 0 466.559 4.309 50 0 JIAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cnn(C)c4C)c(Cl)c3N2)cc1 ZINC000000672185 553745872 /nfs/dbraw/zinc/74/58/72/553745872.db2.gz NKJMKCQEROWKSJ-HOTGVXAUSA-N 0 0 482.894 4.177 50 0 JIAARN Cn1c2nc(SCc3ccccc3)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O ZINC000000674594 553748114 /nfs/dbraw/zinc/74/81/14/553748114.db2.gz TXSIMDMWVFSBDT-UHFFFAOYSA-N 0 0 468.582 4.286 50 0 JIAARN COc1cc(NC(=S)NC(=O)COc2ccc(Br)cc2)c(OC)cc1Cl ZINC000000678478 553751813 /nfs/dbraw/zinc/75/18/13/553751813.db2.gz RANRXYQVTCFYKL-UHFFFAOYSA-N 0 0 459.749 4.012 50 0 JIAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(OC(C)=O)c(OC)c1)N(C(C)=O)c1ccccc1-2 ZINC000000683400 553754976 /nfs/dbraw/zinc/75/49/76/553754976.db2.gz JRIROVRPNSIQFE-QFIPXVFZSA-N 0 0 466.519 4.029 50 0 JIAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3cccs3)sc2=N1 ZINC000000683780 553755181 /nfs/dbraw/zinc/75/51/81/553755181.db2.gz ILOCTIOJPWVUHC-FBHQFGEZSA-N 0 0 475.570 4.075 50 0 JIAARN CCc1ccccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccc(Cl)cc2)n1C ZINC000000687496 553757599 /nfs/dbraw/zinc/75/75/99/553757599.db2.gz LNDDTAKNOUFBBX-AWEZNQCLSA-N 0 0 457.987 4.253 50 0 JIAARN CCc1nc(C)nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1Cc1ccc(Cl)cc1 ZINC000000697343 553760399 /nfs/dbraw/zinc/76/03/99/553760399.db2.gz XLTULDKKNNDCOO-UHFFFAOYSA-N 0 0 478.980 4.283 50 0 JIAARN CCCc1cc2c(cc1OC(=O)N1CCOCC1)occ(-c1ccc3c(c1)OCCCO3)c2=O ZINC000000703825 553762794 /nfs/dbraw/zinc/76/27/94/553762794.db2.gz SNSQZDUIHIQUFT-UHFFFAOYSA-N 0 0 465.502 4.405 50 0 biogenic JIAARN COc1cc(C(=O)NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc32)cc(OC)c1OC ZINC000000718655 553770675 /nfs/dbraw/zinc/77/06/75/553770675.db2.gz YDRZYQMRGLCYBG-UHFFFAOYSA-N 0 0 452.429 4.373 50 0 biogenic JIAARN CC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)cc1 ZINC000000730258 553775591 /nfs/dbraw/zinc/77/55/91/553775591.db2.gz QWHBMSUTMAKGAQ-MRXNPFEDSA-N 0 0 462.761 4.441 50 0 JIAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000000797240 553782619 /nfs/dbraw/zinc/78/26/19/553782619.db2.gz BYGPSYVWAUPMKX-UHFFFAOYSA-N 0 0 472.950 4.406 50 0 JIAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc(Br)c1O ZINC000000844300 553794883 /nfs/dbraw/zinc/79/48/83/553794883.db2.gz FRDJFSHCSWEULN-QGZVFWFLSA-N 0 0 453.333 4.057 50 0 JIAARN O=C(N/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)N1CCOCC1)c1ccccc1 ZINC000000851323 553798486 /nfs/dbraw/zinc/79/84/86/553798486.db2.gz ZGGVMGVHQWOVDD-LHLOQNFPSA-N 0 0 478.552 4.169 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000000857950 553801030 /nfs/dbraw/zinc/80/10/30/553801030.db2.gz VBTVTOXIRLJWTI-UHFFFAOYSA-N 0 0 470.522 4.145 50 0 JIAARN COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)cc1OC ZINC000000881493 553818155 /nfs/dbraw/zinc/81/81/55/553818155.db2.gz JNPWHXBXAZENPL-UHFFFAOYSA-N 0 0 461.547 4.181 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)Nc1ccccc1C(F)(F)F ZINC000000894272 553830587 /nfs/dbraw/zinc/83/05/87/553830587.db2.gz BDKWOIQRTHBFJS-AWEZNQCLSA-N 0 0 463.481 4.325 50 0 JIAARN O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)n1-c1ccccc1)NCc1ccccc1 ZINC000000924634 553859949 /nfs/dbraw/zinc/85/99/49/553859949.db2.gz RQHHTCACXFQHKH-UHFFFAOYSA-N 0 0 468.586 4.337 50 0 JIAARN COc1ccc(NC(=O)[C@@H](C)n2cnc3scc(-c4ccc(OC)c(OC)c4)c3c2=O)cc1 ZINC000000937729 553874876 /nfs/dbraw/zinc/87/48/76/553874876.db2.gz KQVYVUMKUHOHFL-CQSZACIVSA-N 0 0 465.531 4.351 50 0 JIAARN CC1=C(C(N)=O)[C@H](c2cccc(OCc3ccccc3)c2)N2NC(c3ccccc3Cl)=NC2=N1 ZINC000000940716 553876391 /nfs/dbraw/zinc/87/63/91/553876391.db2.gz ABLVWEYQALTINB-QHCPKHFHSA-N 0 0 471.948 4.356 50 0 JIAARN Cc1cc(Cl)ccc1NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000941710 553877302 /nfs/dbraw/zinc/87/73/02/553877302.db2.gz LPQOYBQHMVPGAM-JOCHJYFZSA-N 0 0 476.916 4.038 50 0 JIAARN COc1ccc2nc(NC(=O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)sc2c1 ZINC000000951195 553881549 /nfs/dbraw/zinc/88/15/49/553881549.db2.gz KLTIDVNQAUGWLT-HXUWFJFHSA-N 0 0 457.511 4.151 50 0 JIAARN COC(=O)c1ccccc1NC(=O)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000000959983 553886445 /nfs/dbraw/zinc/88/64/45/553886445.db2.gz KNKRWUVXHCWGLK-UHFFFAOYSA-N 0 0 489.915 4.157 50 0 JIAARN CCOC(=O)N1CCC(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)C[C@@H](C)CC4)CC1 ZINC000000971487 553887491 /nfs/dbraw/zinc/88/74/91/553887491.db2.gz HBNWJZUINRLIQS-NSHDSACASA-N 0 0 484.544 4.373 50 0 JIAARN CCc1nnc(NC(=O)CSc2nnc(COc3cccc(C)c3)n2-c2ccccc2)s1 ZINC000000977029 553889387 /nfs/dbraw/zinc/88/93/87/553889387.db2.gz CGJKVRQGAADJGR-UHFFFAOYSA-N 0 0 466.592 4.299 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000000992829 553896388 /nfs/dbraw/zinc/89/63/88/553896388.db2.gz BYCBWEFIHPSSAQ-RUZDIDTESA-N 0 0 450.560 4.499 50 0 JIAARN COc1ccc(/C=C2\N=C(c3cc(I)ccc3Cl)OC2=O)c(OC)c1OC ZINC000000994300 553896580 /nfs/dbraw/zinc/89/65/80/553896580.db2.gz QJCMNKGKORPLJH-ZSOIEALJSA-N 0 0 499.688 4.315 50 0 JIAARN COc1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc(Cl)c1OC(C)=O ZINC000000994307 553896962 /nfs/dbraw/zinc/89/69/62/553896962.db2.gz RPGZKYRAJJVNRI-NVNXTCNLSA-N 0 0 450.672 4.381 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)Cc2cccc(Cl)c2)cc1 ZINC000001112614 553909746 /nfs/dbraw/zinc/90/97/46/553909746.db2.gz KHRMDKLTOSFULJ-UHFFFAOYSA-N 0 0 472.950 4.207 50 0 JIAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2CC)cc1 ZINC000001112932 553910122 /nfs/dbraw/zinc/91/01/22/553910122.db2.gz WZFGBXQMPMUZNA-UHFFFAOYSA-N 0 0 454.333 4.379 50 0 JIAARN CC(=O)c1ccc(NC(=S)NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000001183322 553929703 /nfs/dbraw/zinc/92/97/03/553929703.db2.gz UQBCVBOWCRYHEX-UHFFFAOYSA-N 0 0 458.708 4.274 50 0 JIAARN CC(C)C[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000001917083 554004115 /nfs/dbraw/zinc/00/41/15/554004115.db2.gz WKKNVMPSDRPUGD-GOSISDBHSA-N 0 0 463.317 4.186 50 0 JIAARN O=C(Nc1cccc(O)c1)c1ccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000001953608 554006959 /nfs/dbraw/zinc/00/69/59/554006959.db2.gz RXHMTILEMJOROE-UHFFFAOYSA-N 0 0 461.905 4.118 50 0 JIAARN COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21 ZINC000002060784 554017118 /nfs/dbraw/zinc/01/71/18/554017118.db2.gz IHFRKPSUZWYUCM-OLJONYEBSA-N 0 0 488.337 4.376 50 0 JIAARN CSCC[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000002071997 554022492 /nfs/dbraw/zinc/02/24/92/554022492.db2.gz UYFYJIGZMCWNRU-QGZVFWFLSA-N 0 0 466.342 4.137 50 0 JIAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000002079179 554025541 /nfs/dbraw/zinc/02/55/41/554025541.db2.gz CMLHDSUYHGQOPQ-SFHVURJKSA-N 0 0 452.732 4.283 50 0 JIAARN COc1cc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc(Cl)c1OC(C)=O ZINC000002081016 554026723 /nfs/dbraw/zinc/02/67/23/554026723.db2.gz RPGZKYRAJJVNRI-OVCLIPMQSA-N 0 0 450.672 4.381 50 0 JIAARN COc1ccc(CCN2CC(=O)N3[C@H](c4ccccc4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002093592 554037212 /nfs/dbraw/zinc/03/72/12/554037212.db2.gz JNICWLUKFOTQGL-LBNVMWSVSA-N 0 0 465.553 4.104 50 0 biogenic JIAARN CCCc1cc(=O)oc2cc(OC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)[C@H](C)CC)ccc12 ZINC000002093843 554037511 /nfs/dbraw/zinc/03/75/11/554037511.db2.gz WPAANRZIOHWEDO-OSPHWJPCSA-N 0 0 471.575 4.353 50 0 biogenic JIAARN CCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)cc2OC)C1=O ZINC000002104947 554045646 /nfs/dbraw/zinc/04/56/46/554045646.db2.gz ACSMIUVCSCVFCN-NVQXNPDNSA-N 0 0 461.562 4.060 50 0 biogenic JIAARN CCCOc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)NCc2ccccc2)cc1 ZINC000002105997 554046392 /nfs/dbraw/zinc/04/63/92/554046392.db2.gz JRJHEBGJEKZVSF-HZHRSRAPSA-N 0 0 458.514 4.291 50 0 biogenic JIAARN COC(=O)c1cc(NC(=O)CSc2ncnc3sc4c(c32)CC[C@@H](C)C4)cc(C(=O)OC)c1 ZINC000002106707 554046675 /nfs/dbraw/zinc/04/66/75/554046675.db2.gz ZKTCBFJYZVIJMF-GFCCVEGCSA-N 0 0 485.587 4.120 50 0 JIAARN CCOCCCN1CC(=O)N2[C@H](c3ccc(Br)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002111956 554050502 /nfs/dbraw/zinc/05/05/02/554050502.db2.gz HYYIFOIESJJIJW-XUZZJYLKSA-N 0 0 496.405 4.042 50 0 biogenic JIAARN Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)N5CCC(C(N)=O)CC5)c(C)c4cc32)cc1 ZINC000002128081 554058898 /nfs/dbraw/zinc/05/88/98/554058898.db2.gz SILGYUFTZZVSSI-UHFFFAOYSA-N 0 0 458.514 4.089 50 0 biogenic JIAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N23)cc1OC ZINC000002158728 554073784 /nfs/dbraw/zinc/07/37/84/554073784.db2.gz VUQROGFOHXNTSX-PWUYWRBVSA-N 0 0 495.579 4.460 50 0 biogenic JIAARN Cc1cc(Cl)ccc1N(CC(=O)NCCSCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000002176065 554077484 /nfs/dbraw/zinc/07/74/84/554077484.db2.gz NIKTUMKYZRDISF-UHFFFAOYSA-N 0 0 461.436 4.117 50 0 JIAARN Cc1cc(Cl)ccc1N(CC(=O)NCCSCc1ccccc1Cl)S(C)(=O)=O ZINC000002176056 554077566 /nfs/dbraw/zinc/07/75/66/554077566.db2.gz QVXCAECUQMNRIY-UHFFFAOYSA-N 0 0 461.436 4.117 50 0 JIAARN Cc1cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)ccc1I ZINC000002184751 554081949 /nfs/dbraw/zinc/08/19/49/554081949.db2.gz ZSHKSPBLNQKBPZ-UHFFFAOYSA-N 0 0 464.284 4.119 50 0 JIAARN CCOC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(C(=O)OC)=NN2c2ccc(OC)cc2)S1 ZINC000002202229 554091612 /nfs/dbraw/zinc/09/16/12/554091612.db2.gz ZGFDDUJTABRLIM-HSZRJFAPSA-N 0 0 485.587 4.394 50 0 JIAARN C[C@H](C(=O)N[C@@H](c1ccccc1)c1ccccc1Br)N1C(=O)c2ccccc2C1=O ZINC000002206265 554092828 /nfs/dbraw/zinc/09/28/28/554092828.db2.gz WHXIHKIRSHMIJD-VFNWGFHPSA-N 0 0 463.331 4.339 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(OC)cc2)cc1 ZINC000002211802 554095646 /nfs/dbraw/zinc/09/56/46/554095646.db2.gz FZBQFMZHECXMCB-UHFFFAOYSA-N 0 0 489.557 4.245 50 0 JIAARN CCOC(CSc1nnc2c3c4c(sc3nc(SC)n12)COC(C)(C)C4)OCC ZINC000002233102 554106445 /nfs/dbraw/zinc/10/64/45/554106445.db2.gz PMLAMCVWBQJEDA-UHFFFAOYSA-N 0 0 454.643 4.403 50 0 JIAARN COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nnc(C)s2)c1OC ZINC000002235193 554107224 /nfs/dbraw/zinc/10/72/24/554107224.db2.gz YUNGQRVXCNLOBY-QGZVFWFLSA-N 0 0 469.906 4.373 50 0 JIAARN CSc1nc2sc3c(c2c2nnc(SCCN4C(=O)c5ccccc5C4=O)n21)CCCC3 ZINC000002238753 554108762 /nfs/dbraw/zinc/10/87/62/554108762.db2.gz PRLLWWRKLTWGHF-UHFFFAOYSA-N 0 0 481.628 4.328 50 0 JIAARN COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3S[C@H](C)C(=O)N32)cc1OC ZINC000002254370 554117690 /nfs/dbraw/zinc/11/76/90/554117690.db2.gz MSZDILIAOWAXSH-VFNWGFHPSA-N 0 0 452.532 4.096 50 0 JIAARN Cc1ccc(-n2c(N)c(C(=O)NCc3ccc4c(c3)OCO4)c3nc4ccccc4nc32)cc1C ZINC000002291156 554135178 /nfs/dbraw/zinc/13/51/78/554135178.db2.gz WGOAHYJXQZSMTC-UHFFFAOYSA-N 0 0 465.513 4.431 50 0 JIAARN CCOC(=O)c1c(N)n(CCCOC(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002314134 554144752 /nfs/dbraw/zinc/14/47/52/554144752.db2.gz YRXFCEMXLJZBDL-UHFFFAOYSA-N 0 0 452.898 4.244 50 0 JIAARN CC(C)OCCCNC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002333455 554152373 /nfs/dbraw/zinc/15/23/73/554152373.db2.gz UFQQOYOKAFCDLA-UHFFFAOYSA-N 0 0 455.921 4.493 50 0 JIAARN CCN(CC)c1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000002360743 554165592 /nfs/dbraw/zinc/16/55/92/554165592.db2.gz GDMXHLPZGJWNNT-XAYSYOTPSA-N 0 0 475.626 4.256 50 0 JIAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(Br)cc2)CCO1 ZINC000002369136 554169406 /nfs/dbraw/zinc/16/94/06/554169406.db2.gz LAEZQJWZUHSRKV-CJNGLKHVSA-N 0 0 452.374 4.256 50 0 JIAARN CCN(CC)C(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)cc1 ZINC000002370099 554169966 /nfs/dbraw/zinc/16/99/66/554169966.db2.gz JGAWDGFDURGXDL-UHFFFAOYSA-N 0 0 468.557 4.493 50 0 JIAARN CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2N)c1 ZINC000002371795 554170951 /nfs/dbraw/zinc/17/09/51/554170951.db2.gz RQBFTNCTSMLJAH-UHFFFAOYSA-N 0 0 452.367 4.484 50 0 JIAARN COc1ccc(CNC(=O)c2c(N)n(-c3cc(OC)ccc3OC)c3nc4ccccc4nc32)cc1 ZINC000002373619 554171897 /nfs/dbraw/zinc/17/18/97/554171897.db2.gz AKRUGRKRDVGLSP-UHFFFAOYSA-N 0 0 483.528 4.112 50 0 JIAARN COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5cccs5)c(=O)n42)c2ccccc2CC3)c1 ZINC000002373791 554172124 /nfs/dbraw/zinc/17/21/24/554172124.db2.gz ZTGNLOVLYZJQPL-DLBLZJNESA-N 0 0 456.592 4.389 50 0 JIAARN COc1ccc(Cn2c(N)c(S(=O)(=O)c3cccc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002413160 554193344 /nfs/dbraw/zinc/19/33/44/554193344.db2.gz BIZLMIQIOGJVFB-UHFFFAOYSA-N 0 0 458.543 4.365 50 0 JIAARN CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(C(=O)OC)cc2)s1 ZINC000002415564 554194741 /nfs/dbraw/zinc/19/47/41/554194741.db2.gz NQICCPBEZQZKHG-GOSISDBHSA-N 0 0 481.917 4.397 50 0 JIAARN COc1ccc(Cn2c(N)c(S(=O)(=O)c3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002422161 554199145 /nfs/dbraw/zinc/19/91/45/554199145.db2.gz XZEQTRLVLMLDOY-UHFFFAOYSA-N 0 0 458.543 4.365 50 0 JIAARN Nc1c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc2n1-c1ccc(Br)cc1 ZINC000002430494 554204494 /nfs/dbraw/zinc/20/44/94/554204494.db2.gz XMIVCYOEMDLYSP-HNNXBMFYSA-N 0 0 467.323 4.254 50 0 JIAARN COc1ccccc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccco1 ZINC000002438851 554208685 /nfs/dbraw/zinc/20/86/85/554208685.db2.gz CYXXXVAVTNXFJM-UHFFFAOYSA-N 0 0 455.561 4.456 50 0 aggregator JIAARN CCOc1cc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCOC)ccc1O ZINC000002443911 554211440 /nfs/dbraw/zinc/21/14/40/554211440.db2.gz MBTAVBHVKLLWAZ-NRFANRHFSA-N 0 0 457.910 4.441 50 0 JIAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2-c2ccc(C)cc2)cc1 ZINC000002454318 554221474 /nfs/dbraw/zinc/22/14/74/554221474.db2.gz YBTOORIMQIEFDZ-UHFFFAOYSA-N 0 0 457.559 4.381 50 0 JIAARN COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000002454505 554221834 /nfs/dbraw/zinc/22/18/34/554221834.db2.gz NFKKQRXPRCWNGP-MRXNPFEDSA-N 0 0 454.958 4.066 50 0 JIAARN Cc1c(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn32)c(=O)n(-c2ccccc2)n1C ZINC000002479056 554225830 /nfs/dbraw/zinc/22/58/30/554225830.db2.gz FEINOALQEVXBDT-UHFFFAOYSA-N 0 0 450.498 4.226 50 0 JIAARN O=C(CSc1cn(CCNC(=O)c2c(F)cccc2F)c2ccccc12)N1CCCCC1 ZINC000002493855 554227673 /nfs/dbraw/zinc/22/76/73/554227673.db2.gz OKKOOZHKUCBDKV-UHFFFAOYSA-N 0 0 457.546 4.454 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NC(=O)NCc1ccccc1 ZINC000002618380 554242778 /nfs/dbraw/zinc/24/27/78/554242778.db2.gz RMAYKYTXRCQNGP-UHFFFAOYSA-N 0 0 455.543 4.324 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCc5ccccc54)c3)CC2)c1C ZINC000002628326 554251212 /nfs/dbraw/zinc/25/12/12/554251212.db2.gz LCNOZZIFNAUAGT-UHFFFAOYSA-N 0 0 489.641 4.407 50 0 JIAARN Cc1sc2nc(-c3cccnc3)nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1C ZINC000002633791 554254704 /nfs/dbraw/zinc/25/47/04/554254704.db2.gz GSZASDKEZZRAJO-UHFFFAOYSA-N 0 0 459.575 4.421 50 0 JIAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000002643485 554261853 /nfs/dbraw/zinc/26/18/53/554261853.db2.gz QDHHAOLTMSUHHM-KRWDZBQOSA-N 0 0 499.614 4.169 50 0 JIAARN COc1ccccc1CNC(=O)COc1ncnc2scc(-c3ccc(OC)c(OC)c3)c21 ZINC000002643345 554261874 /nfs/dbraw/zinc/26/18/74/554261874.db2.gz KMZOQGHYRCCDLT-UHFFFAOYSA-N 0 0 465.531 4.079 50 0 JIAARN Cc1cccc(C)c1-n1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2ccccc2c1=O ZINC000002644713 554262466 /nfs/dbraw/zinc/26/24/66/554262466.db2.gz OCRTZAQYBCUMBG-UHFFFAOYSA-N 0 0 470.554 4.080 50 0 JIAARN C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000002646061 554263572 /nfs/dbraw/zinc/26/35/72/554263572.db2.gz PMGOERULIQHDBI-FZKQIMNGSA-N 0 0 466.953 4.454 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000002647062 554264502 /nfs/dbraw/zinc/26/45/02/554264502.db2.gz WUOZWXAJTQUHBP-UHFFFAOYSA-N 0 0 483.615 4.193 50 0 JIAARN CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)cc1 ZINC000002653135 554269140 /nfs/dbraw/zinc/26/91/40/554269140.db2.gz DPTGPHOOXCNWLZ-UHFFFAOYSA-N 0 0 452.532 4.098 50 0 JIAARN O=C(CCCOC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc(F)cc1 ZINC000002654954 554270706 /nfs/dbraw/zinc/27/07/06/554270706.db2.gz VMXBOTMPAWJLKK-UHFFFAOYSA-N 0 0 453.919 4.084 50 0 JIAARN CC[C@H](c1nnc(SCC(=O)Nc2ccc(F)c(F)c2F)n1Cc1ccccc1)N(C)C ZINC000002657573 554272542 /nfs/dbraw/zinc/27/25/42/554272542.db2.gz LARHGQZBOYADQN-QGZVFWFLSA-N 0 0 463.529 4.487 50 0 JIAARN O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccc2c(c1)NC(=O)CO2 ZINC000002661725 554275034 /nfs/dbraw/zinc/27/50/34/554275034.db2.gz SNHSUXGPQBKGQA-UHFFFAOYSA-N 0 0 462.556 4.361 50 0 aggregator JIAARN O=C(COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21)NC[C@H]1CCCO1 ZINC000002665108 554278013 /nfs/dbraw/zinc/27/80/13/554278013.db2.gz JKTCGXBEYDILQW-QGZVFWFLSA-N 0 0 469.335 4.116 50 0 JIAARN COc1ccc(CNC(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)cc1OC ZINC000002664873 554278050 /nfs/dbraw/zinc/27/80/50/554278050.db2.gz LMAKZWWQFLTARE-UHFFFAOYSA-N 0 0 464.547 4.261 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(Cl)cccc3Cl)c(=O)n2[C@@H]1c1cccs1 ZINC000002665766 554278313 /nfs/dbraw/zinc/27/83/13/554278313.db2.gz NQWPTMQTRXCKPQ-CFINBHSISA-N 0 0 479.410 4.167 50 0 JIAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(OC)ccc32)c(OC)c1 ZINC000002688538 554284463 /nfs/dbraw/zinc/28/44/63/554284463.db2.gz GRKWOHQEPJPLFS-UHFFFAOYSA-N 0 0 490.487 4.036 50 0 JIAARN COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(OC)c(OC)c3)c3ccc(F)cc3c2=O)cc1 ZINC000002690699 554285956 /nfs/dbraw/zinc/28/59/56/554285956.db2.gz HVLDNTMMEDLDHZ-UHFFFAOYSA-N 0 0 490.487 4.036 50 0 JIAARN COc1ccc(C(=O)c2cn(Cc3cccc(OC)c3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000002691264 554287001 /nfs/dbraw/zinc/28/70/01/554287001.db2.gz IVCDZYJUMPHONB-UHFFFAOYSA-N 0 0 459.498 4.315 50 0 JIAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000002699078 554293426 /nfs/dbraw/zinc/29/34/26/554293426.db2.gz NNURGZKPRRDMNE-UHFFFAOYSA-N 0 0 490.487 4.036 50 0 JIAARN Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Br)cc2)s1 ZINC000002704443 554294905 /nfs/dbraw/zinc/29/49/05/554294905.db2.gz FMRVVDMEYIMIHF-MRXNPFEDSA-N 0 0 454.305 4.465 50 0 JIAARN CCOC(=O)c1ccc(Cc2cnc(NC(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)s2)cc1 ZINC000002709891 554296966 /nfs/dbraw/zinc/29/69/66/554296966.db2.gz HXLLMRWGHRGCSJ-XMMPIXPASA-N 0 0 450.516 4.021 50 0 JIAARN CCOC(=O)[C@H](C)Oc1cccc2c1ccn(CC(=O)Nc1ccc(Cl)c(Cl)c1)c2=O ZINC000002712305 554297404 /nfs/dbraw/zinc/29/74/04/554297404.db2.gz JUCCONCBJWVVDV-ZDUSSCGKSA-N 0 0 463.317 4.277 50 0 JIAARN Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(F)cc3c2=O)cc1C ZINC000002715901 554301129 /nfs/dbraw/zinc/30/11/29/554301129.db2.gz ZVWUWGWVURPNNV-UHFFFAOYSA-N 0 0 482.508 4.368 50 0 JIAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000002717731 554302820 /nfs/dbraw/zinc/30/28/20/554302820.db2.gz WETGOPJRKVWTMK-UHFFFAOYSA-N 0 0 461.425 4.151 50 0 JIAARN COc1ccccc1-n1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2c(c1=O)SCC2 ZINC000002719820 554304631 /nfs/dbraw/zinc/30/46/31/554304631.db2.gz VHKDHRGMJOVLBO-UHFFFAOYSA-N 0 0 453.589 4.237 50 0 JIAARN Cc1cnn(CCC2N=NC(=S)N2c2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)c1 ZINC000002731405 554315545 /nfs/dbraw/zinc/31/55/45/554315545.db2.gz UTDIIOSJYGSEOM-UHFFFAOYSA-N 0 0 462.410 4.472 50 0 JIAARN CCCCn1c2ccccc2c2nnc(SCC(=O)Nc3nc(C)c(C(=O)OCC)s3)nc21 ZINC000002751135 554326475 /nfs/dbraw/zinc/32/64/75/554326475.db2.gz NRYWGWLONRWKGG-UHFFFAOYSA-N 0 0 484.607 4.452 50 0 JIAARN COCCNC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000002755342 554327969 /nfs/dbraw/zinc/32/79/69/554327969.db2.gz BVCBDDCXBSAZHB-VXGBXAGGSA-N 0 0 481.700 4.336 50 0 JIAARN O=C1OC(c2ccccc2Br)=N/C1=C/c1ccc(I)cc1 ZINC000002771614 554336459 /nfs/dbraw/zinc/33/64/59/554336459.db2.gz IKNIFRGXXOICBB-NTEUORMPSA-N 0 0 454.061 4.398 50 0 JIAARN O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(C(=S)NC[C@@H]2CCCO2)CC1 ZINC000002778756 554341078 /nfs/dbraw/zinc/34/10/78/554341078.db2.gz XJGNDNFOGCBVCX-ZDUSSCGKSA-N 0 0 458.436 4.019 50 0 JIAARN O=C(Nc1ncn(Cc2ccccc2)n1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000002786733 554344841 /nfs/dbraw/zinc/34/48/41/554344841.db2.gz BXWHFFAOZOGEFR-UHFFFAOYSA-N 0 0 481.413 4.446 50 0 JIAARN COC(=O)c1sc2ncn3nc(-c4ccc(COc5ccc(OC)cc5)o4)nc3c2c1C ZINC000002799946 554352685 /nfs/dbraw/zinc/35/26/85/554352685.db2.gz YFBUMXMOJCHTRL-UHFFFAOYSA-N 0 0 450.476 4.282 50 0 JIAARN CCOC(=O)c1sc(NC(=O)CSc2nccc(-c3ccco3)n2)c(C(=O)OCC)c1C ZINC000002807960 554357787 /nfs/dbraw/zinc/35/77/87/554357787.db2.gz BIJIBIWCKKZIMR-UHFFFAOYSA-N 0 0 475.548 4.191 50 0 JIAARN CCCSc1nnc2c(n1)O[C@H](c1cccc(OC)c1OC(C)=O)N(C(C)=O)c1ccccc1-2 ZINC000002822758 554364830 /nfs/dbraw/zinc/36/48/30/554364830.db2.gz GIXBDZLLTCDMPN-HSZRJFAPSA-N 0 0 480.546 4.419 50 0 JIAARN COc1ccc(-n2ncc3c2ncnc3N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000002836576 554369978 /nfs/dbraw/zinc/36/99/78/554369978.db2.gz OVHDSPINJCDRLK-UHFFFAOYSA-N 0 0 455.349 4.458 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc([C@@H](NC(=O)c2ccccc2)C(C)C)n1C ZINC000002836753 554370375 /nfs/dbraw/zinc/37/03/75/554370375.db2.gz BSHVXABXDKCVMN-FQEVSTJZSA-N 0 0 488.013 4.335 50 0 JIAARN Cc1cc(Br)c(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)cc1C ZINC000002840959 554372714 /nfs/dbraw/zinc/37/27/14/554372714.db2.gz IQWKPIFYMBKTDY-UHFFFAOYSA-N 0 0 466.792 4.422 50 0 JIAARN COc1ccc(OC)c(NC(=O)c2cc(I)ccc2NC(=O)c2ccco2)c1 ZINC000002841698 554373319 /nfs/dbraw/zinc/37/33/19/554373319.db2.gz ZWFJKQUEBFCUNB-UHFFFAOYSA-N 0 0 492.269 4.406 50 0 JIAARN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc(Br)c1O ZINC000002843562 554374490 /nfs/dbraw/zinc/37/44/90/554374490.db2.gz MKGMDGNYLLLTEC-INIZCTEOSA-N 0 0 485.315 4.476 50 0 JIAARN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc(Br)c1O ZINC000002843566 554374563 /nfs/dbraw/zinc/37/45/63/554374563.db2.gz MKGMDGNYLLLTEC-MRXNPFEDSA-N 0 0 485.315 4.476 50 0 JIAARN CCC[C@H](C)NC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000002850872 554378662 /nfs/dbraw/zinc/37/86/62/554378662.db2.gz OSMSZFCVURMSIR-KRWDZBQOSA-N 0 0 450.626 4.307 50 0 JIAARN COc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(Cl)s3)c3ccccc32)cc1OC ZINC000002853405 554381101 /nfs/dbraw/zinc/38/11/01/554381101.db2.gz DREUZNJLPZVVAM-HSZRJFAPSA-N 0 0 457.935 4.426 50 0 JIAARN COC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000002857289 554383939 /nfs/dbraw/zinc/38/39/39/554383939.db2.gz UGJHTTFMDFHULH-KRWDZBQOSA-N 0 0 468.531 4.059 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(Br)c3)C2)cc1Cl ZINC000002869143 554394496 /nfs/dbraw/zinc/39/44/96/554394496.db2.gz UCSORIQELMFKIH-CYBMUJFWSA-N 0 0 487.803 4.151 50 0 JIAARN Cc1ccc(N2C(=O)N[C@](NC(=O)c3ccc(Cl)cc3Cl)(C(F)(F)F)C2=O)cc1C ZINC000002870385 554395284 /nfs/dbraw/zinc/39/52/84/554395284.db2.gz VEICDQHSNZVUQN-SFHVURJKSA-N 0 0 460.239 4.355 50 0 JIAARN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000002879198 554400662 /nfs/dbraw/zinc/40/06/62/554400662.db2.gz MPQMBKDWMUUEJQ-OAHLLOKOSA-N 0 0 456.486 4.062 50 0 JIAARN COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)ccc1OCc1ccccc1F ZINC000002879443 554400753 /nfs/dbraw/zinc/40/07/53/554400753.db2.gz DRBIOCAFQNVJJZ-DEOSSOPVSA-N 0 0 486.507 4.327 50 0 JIAARN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000002890029 554408504 /nfs/dbraw/zinc/40/85/04/554408504.db2.gz XLYBJIRVTWRXIS-INIZCTEOSA-N 0 0 471.406 4.028 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(Cc3ccccc3)c2=O)CCCC4)cc1 ZINC000002890488 554409031 /nfs/dbraw/zinc/40/90/31/554409031.db2.gz FQOWMKLVQDXBJF-UHFFFAOYSA-N 0 0 459.571 4.099 50 0 JIAARN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2I)cc1 ZINC000002979042 554416580 /nfs/dbraw/zinc/41/65/80/554416580.db2.gz LTSDMGPCVATQBA-UHFFFAOYSA-N 0 0 482.343 4.375 50 0 JIAARN COc1ccc(N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1Cl ZINC000002980974 554417806 /nfs/dbraw/zinc/41/78/06/554417806.db2.gz WUVWRHRQELVLKJ-UHFFFAOYSA-N 0 0 471.284 4.426 50 0 JIAARN COc1ccc(CCNC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000002982058 554417820 /nfs/dbraw/zinc/41/78/20/554417820.db2.gz COYGAZCTQZVQOU-UHFFFAOYSA-N 0 0 472.994 4.211 50 0 JIAARN CCOc1ccc(N(CC(=O)NCCSc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000002983640 554418702 /nfs/dbraw/zinc/41/87/02/554418702.db2.gz FJIYHZXZZVVYPI-UHFFFAOYSA-N 0 0 470.616 4.189 50 0 JIAARN COc1cc(NC(=O)c2ccc(-n3c(=O)c4ccccc4[nH]c3=S)cc2)cc(OC)c1OC ZINC000003051914 554424442 /nfs/dbraw/zinc/42/44/42/554424442.db2.gz DZYKSROFZXAGHQ-UHFFFAOYSA-N 0 0 463.515 4.326 50 0 JIAARN CCN(CC)[P@]1(=O)OC(c2cc(OC)c(OC)c(OC)c2)=Nc2c1c(C)nn2-c1ccccc1 ZINC000003182810 554428623 /nfs/dbraw/zinc/42/86/23/554428623.db2.gz AFNNKTVMDLGOSP-UUWRZZSWSA-N 0 0 484.493 4.475 50 0 JIAARN Cc1ccc2c(COC(=O)CCNS(=O)(=O)c3c(Cl)cccc3Cl)cc(=O)oc2c1C ZINC000003377877 554460695 /nfs/dbraw/zinc/46/06/95/554460695.db2.gz IESQNDGFVRYTSV-UHFFFAOYSA-N 0 0 484.357 4.128 50 0 JIAARN Cc1ccc(NC(=O)NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)c(C)c1 ZINC000003468387 554465525 /nfs/dbraw/zinc/46/55/25/554465525.db2.gz ALSNUFVXIIUVLR-UHFFFAOYSA-N 0 0 465.366 4.023 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2)c3=O)cc1OC ZINC000003630405 554467708 /nfs/dbraw/zinc/46/77/08/554467708.db2.gz UQQDNBCJLOYZFO-UHFFFAOYSA-N 0 0 461.543 4.038 50 0 biogenic JIAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(=O)n(-c3ccc(F)c(Cl)c3)c(=S)[nH]c2c1 ZINC000003631828 554468375 /nfs/dbraw/zinc/46/83/75/554468375.db2.gz ZIGWNAGANMSRPD-UHFFFAOYSA-N 0 0 483.908 4.126 50 0 JIAARN COc1cc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccs3)cc2)cc(OC)c1OC ZINC000004089073 554472606 /nfs/dbraw/zinc/47/26/06/554472606.db2.gz UHTQVVPLFWUTKV-UHFFFAOYSA-N 0 0 471.560 4.153 50 0 JIAARN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cc2ccccc2o1 ZINC000004109647 554473502 /nfs/dbraw/zinc/47/35/02/554473502.db2.gz KASULFXZUPVWLQ-UHFFFAOYSA-N 0 0 474.542 4.115 50 0 JIAARN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1cccc(Cl)c1 ZINC000004109760 554473836 /nfs/dbraw/zinc/47/38/36/554473836.db2.gz RBHVHKLVQOXEJO-UHFFFAOYSA-N 0 0 485.034 4.491 50 0 JIAARN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccccc1Cl ZINC000004109759 554473859 /nfs/dbraw/zinc/47/38/59/554473859.db2.gz MEELDVOOQZHZNS-UHFFFAOYSA-N 0 0 485.034 4.491 50 0 JIAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 ZINC000004109685 554473863 /nfs/dbraw/zinc/47/38/63/554473863.db2.gz UHTVBYSUFFYEBI-UHFFFAOYSA-N 0 0 492.601 4.158 50 0 JIAARN CCc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000004123095 554475352 /nfs/dbraw/zinc/47/53/52/554475352.db2.gz JKHDOLDQKIDRDF-UHFFFAOYSA-N 0 0 472.614 4.338 50 0 JIAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1SCC(=O)N(C)Cc1cccs1 ZINC000006153377 554512468 /nfs/dbraw/zinc/51/24/68/554512468.db2.gz XEDDCLSXYLSEPB-UHFFFAOYSA-N 0 0 492.692 4.043 50 0 JIAARN O=S(=O)(c1cccc(Br)c1)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000006161523 554513631 /nfs/dbraw/zinc/51/36/31/554513631.db2.gz PLXIPEBXLVKFAJ-UHFFFAOYSA-N 0 0 466.788 4.162 50 0 JIAARN C[C@@H]1Cc2ccccc2N1C(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 ZINC000006299004 554529174 /nfs/dbraw/zinc/52/91/74/554529174.db2.gz SOQDHNHDWXRMHM-OAQYLSRUSA-N 0 0 496.677 4.241 50 0 JIAARN COc1ccc(-n2nc3c(c2NC(=O)c2cc(Br)ccc2Cl)C[S@@](=O)C3)cc1 ZINC000006559388 554551692 /nfs/dbraw/zinc/55/16/92/554551692.db2.gz LLYGPPQHRHVZFA-NDEPHWFRSA-N 0 0 480.771 4.311 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000006577366 554552757 /nfs/dbraw/zinc/55/27/57/554552757.db2.gz BENIXRADJDAYSX-VWLOTQADSA-N 0 0 493.585 4.213 50 0 aggregator JIAARN CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)CC1 ZINC000006577714 554553418 /nfs/dbraw/zinc/55/34/18/554553418.db2.gz WDEXARVRNORVQJ-UHFFFAOYSA-N 0 0 463.582 4.015 50 0 aggregator JIAARN Cc1cccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4cccs4)cc3)CC2=O)c1C ZINC000008383549 554566543 /nfs/dbraw/zinc/56/65/43/554566543.db2.gz ZSHXWHBEYBEQKU-LJQANCHMSA-N 0 0 477.538 4.363 50 0 JIAARN COc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4ccccc4OC)cc3)C2)cc1 ZINC000008384045 554567391 /nfs/dbraw/zinc/56/73/91/554567391.db2.gz OOHDWXXQWRVIFS-IBGZPJMESA-N 0 0 475.497 4.275 50 0 JIAARN COc1ccccc1Oc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1 ZINC000008384026 554567411 /nfs/dbraw/zinc/56/74/11/554567411.db2.gz ORHFIKUFKBKPOG-GOSISDBHSA-N 0 0 463.461 4.406 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000008398742 554573693 /nfs/dbraw/zinc/57/36/93/554573693.db2.gz PFKFGWQZMFKZPT-JKNVTQNWSA-N 0 0 456.567 4.129 50 0 JIAARN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1 ZINC000008399843 554574999 /nfs/dbraw/zinc/57/49/99/554574999.db2.gz LDQOJQYREVXTNR-UHFFFAOYSA-N 0 0 479.449 4.365 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc43)c(=O)n2[C@H]1c1cccs1 ZINC000008424443 554579387 /nfs/dbraw/zinc/57/93/87/554579387.db2.gz OPWAPIDSDWJMST-CVGPFBNFSA-N 0 0 490.606 4.022 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000008425275 554580282 /nfs/dbraw/zinc/58/02/82/554580282.db2.gz OWOMUGNOLFTDBP-ZNQKWNQWSA-N 0 0 487.408 4.414 50 0 JIAARN CC(C)COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000008438595 554589733 /nfs/dbraw/zinc/58/97/33/554589733.db2.gz ICIVDNVOXDDQQT-TZKYFUQOSA-N 0 0 460.611 4.422 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1 ZINC000008442688 554592314 /nfs/dbraw/zinc/59/23/14/554592314.db2.gz MBVAVUVAAKGFPW-UHFFFAOYSA-N 0 0 459.980 4.292 50 0 JIAARN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)ccc1OC(=O)c1cccs1 ZINC000008448854 554596005 /nfs/dbraw/zinc/59/60/05/554596005.db2.gz KYTMIRFKTASEAC-FQEVSTJZSA-N 0 0 469.588 4.270 50 0 JIAARN COc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Br)cc4)cc3n2)cc1 ZINC000008448878 554596042 /nfs/dbraw/zinc/59/60/42/554596042.db2.gz NVXZSSBMKMSXMU-UHFFFAOYSA-N 0 0 453.296 4.209 50 0 JIAARN COc1ccccc1[C@@H]1Nc2ccccc2-n2c(-c3ccccc3)c3c(c21)n(C)c(=O)n(C)c3=O ZINC000008587475 554601641 /nfs/dbraw/zinc/60/16/41/554601641.db2.gz ITSUYDAMIKCGTI-QHCPKHFHSA-N 0 0 464.525 4.218 50 0 JIAARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2sccc2C(N)=O)cc1 ZINC000008746357 554649548 /nfs/dbraw/zinc/64/95/48/554649548.db2.gz ZYBRCDFRJHBQNC-UHFFFAOYSA-N 0 0 452.561 4.315 50 0 JIAARN COc1ccc(-c2nnc(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)n2C(C)C)cc1 ZINC000008748942 554651357 /nfs/dbraw/zinc/65/13/57/554651357.db2.gz VOSVPFGTHFRFTO-OAQYLSRUSA-N 0 0 452.580 4.227 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCCC2=O)c1 ZINC000008749677 554652038 /nfs/dbraw/zinc/65/20/38/554652038.db2.gz JFFJRMABJJSMFC-UHFFFAOYSA-N 0 0 463.559 4.281 50 0 JIAARN COc1ccc(-c2csc(NC(=O)c3ccc(Cn4cncn4)cc3)n2)cc1Br ZINC000008752114 554653935 /nfs/dbraw/zinc/65/39/35/554653935.db2.gz ICPWSSFQYNMHOQ-UHFFFAOYSA-N 0 0 470.352 4.473 50 0 JIAARN O=C(NC1CC1)[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1 ZINC000008754685 554656375 /nfs/dbraw/zinc/65/63/75/554656375.db2.gz ZHKZPOSTNWYCHI-NQIIRXRSSA-N 0 0 469.994 4.341 50 0 JIAARN COc1ccc2[nH]cc(CCN3C(=O)N[C@@H](CCC(=O)Nc4ccc(C(C)C)cc4)C3=O)c2c1 ZINC000008765153 554665832 /nfs/dbraw/zinc/66/58/32/554665832.db2.gz KASSQRQWLKABTE-QHCPKHFHSA-N 0 0 462.550 4.182 50 0 biogenic JIAARN COc1cc2c(cc1OC)CN(C(=O)COc1ccc3c(c1)oc(=O)cc3-c1ccccc1)CC2 ZINC000008765135 554665862 /nfs/dbraw/zinc/66/58/62/554665862.db2.gz BRSDBGYTVWPGLM-UHFFFAOYSA-N 0 0 471.509 4.441 50 0 biogenic JIAARN O=C(CSc1nnc(-c2cccnc2)n1C1CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000008777394 554674619 /nfs/dbraw/zinc/67/46/19/554674619.db2.gz QTWOFUPKJPYHRQ-UHFFFAOYSA-N 0 0 462.579 4.078 50 0 JIAARN O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008777420 554674657 /nfs/dbraw/zinc/67/46/57/554674657.db2.gz GRGOMPDACMSBQW-UHFFFAOYSA-N 0 0 482.584 4.047 50 0 JIAARN O=C(c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000008813417 554695986 /nfs/dbraw/zinc/69/59/86/554695986.db2.gz IZGPFBXQUUSCNF-UHFFFAOYSA-N 0 0 466.578 4.399 50 0 JIAARN Cc1occc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)n2n1 ZINC000008834030 554731772 /nfs/dbraw/zinc/73/17/72/554731772.db2.gz WIUYQHXEDKVTMI-STZFKDTASA-N 0 0 451.511 4.120 50 0 JIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)n[nH]2)c(O)c1C ZINC000008845662 554743467 /nfs/dbraw/zinc/74/34/67/554743467.db2.gz SWEKNNODMMGPGB-INIZCTEOSA-N 0 0 468.579 4.215 50 0 JIAARN Cc1c(NC(=O)c2cccc(NC(=O)COc3ccc(C)cc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000008855771 554751709 /nfs/dbraw/zinc/75/17/09/554751709.db2.gz RWHBBNAELSBUMY-UHFFFAOYSA-N 0 0 470.529 4.063 50 0 JIAARN NC(=O)NC(=O)[C@@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccccc1 ZINC000008861256 554758155 /nfs/dbraw/zinc/75/81/55/554758155.db2.gz JJOBQNSNAFFAGE-IBGZPJMESA-N 0 0 455.609 4.464 50 0 JIAARN O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccco1 ZINC000008861607 554758871 /nfs/dbraw/zinc/75/88/71/554758871.db2.gz QTVHNDYRGXGPDG-UHFFFAOYSA-N 0 0 472.872 4.464 50 0 JIAARN Cn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)nnc1-c1cccnc1 ZINC000008862502 554760667 /nfs/dbraw/zinc/76/06/67/554760667.db2.gz XCQWXRNFJUPDNG-MRXNPFEDSA-N 0 0 466.617 4.470 50 0 JIAARN Cc1ccc2oc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCCC4)cc(=O)c2c1 ZINC000008869323 554763076 /nfs/dbraw/zinc/76/30/76/554763076.db2.gz BKWXYEZZVMMMTP-HNNXBMFYSA-N 0 0 466.559 4.203 50 0 JIAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000008870922 554765889 /nfs/dbraw/zinc/76/58/89/554765889.db2.gz XWMPJXUIAJOUFH-UHFFFAOYSA-N 0 0 467.469 4.424 50 0 JIAARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O ZINC000008875147 554770879 /nfs/dbraw/zinc/77/08/79/554770879.db2.gz GNZYFYSPZHPHAM-REIAIGDLSA-N 0 0 477.542 4.268 50 0 JIAARN Cn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)N1CCC(c2ccccc2)=N1 ZINC000008877256 554772523 /nfs/dbraw/zinc/77/25/23/554772523.db2.gz OQKXWJZQXSNNDP-UHFFFAOYSA-N 0 0 480.644 4.446 50 0 JIAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000008879023 554774473 /nfs/dbraw/zinc/77/44/73/554774473.db2.gz IFWALWNFRCZRFU-OZXSUGGESA-N 0 0 474.557 4.145 50 0 biogenic JIAARN CCOc1cc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cc(OCC)c1OCC ZINC000008880454 554775779 /nfs/dbraw/zinc/77/57/79/554775779.db2.gz MAPISXASOJLMEE-UHFFFAOYSA-N 0 0 455.580 4.455 50 0 JIAARN CCOc1c(Cl)cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OC ZINC000008880671 554776110 /nfs/dbraw/zinc/77/61/10/554776110.db2.gz CMKWIBZPGHOWDN-UHFFFAOYSA-N 0 0 452.960 4.174 50 0 JIAARN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1c(Cl)cccc1Cl ZINC000008881767 554776858 /nfs/dbraw/zinc/77/68/58/554776858.db2.gz MJFMTFPTDSCETF-KRWDZBQOSA-N 0 0 493.796 4.132 50 0 JIAARN COc1ccc(CN(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)[C@H](C)Cc2cccs2)cc1 ZINC000008882116 554776867 /nfs/dbraw/zinc/77/68/67/554776867.db2.gz BEXXPTLQUGZJDB-LJQANCHMSA-N 0 0 483.634 4.361 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)CCC4)n2C[C@@H]2CCCO2)cc1 ZINC000008893650 554782615 /nfs/dbraw/zinc/78/26/15/554782615.db2.gz PJSSOTAPKZEHHF-QFIPXVFZSA-N 0 0 464.591 4.352 50 0 JIAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H](c3ccco3)N3CCCC3)c2)C1 ZINC000008896170 554785588 /nfs/dbraw/zinc/78/55/88/554785588.db2.gz UYCKRJNXEHALTB-HMFYCAOWSA-N 0 0 494.057 4.167 50 0 JIAARN COCCN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1nnc(-c2cccs2)o1 ZINC000008897727 554788002 /nfs/dbraw/zinc/78/80/02/554788002.db2.gz KASPZHWOLOATFF-UHFFFAOYSA-N 0 0 476.558 4.116 50 0 JIAARN CC[C@@H](C)N(C(=O)CSc1nc(-c2cccs2)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000008898334 554788649 /nfs/dbraw/zinc/78/86/49/554788649.db2.gz XUXZPCGHVWQIGS-HZPDHXFCSA-N 0 0 475.661 4.265 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1CCC1=CCCCC1 ZINC000008899033 554789810 /nfs/dbraw/zinc/78/98/10/554789810.db2.gz ROPSOZSFFMMRTP-HHHXNRCGSA-N 0 0 461.562 4.408 50 0 JIAARN C[C@@H](Sc1nc(C2CCCCC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000008900426 554792944 /nfs/dbraw/zinc/79/29/44/554792944.db2.gz WNNDZECKNITCLP-MRXNPFEDSA-N 0 0 485.635 4.082 50 0 JIAARN C[C@H]1Oc2ccc(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc(F)cc3)cc2NC1=O ZINC000008901962 554795697 /nfs/dbraw/zinc/79/56/97/554795697.db2.gz YEHVGRACDZVVII-CMJOXMDJSA-N 0 0 486.503 4.006 50 0 JIAARN C[C@@H]1Oc2ccc(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc(F)cc3)cc2NC1=O ZINC000008901968 554795703 /nfs/dbraw/zinc/79/57/03/554795703.db2.gz YEHVGRACDZVVII-WNSKOXEYSA-N 0 0 486.503 4.006 50 0 JIAARN Cc1nc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccccc4)CC3)ccc2n1C1CCCC1 ZINC000008912167 554801912 /nfs/dbraw/zinc/80/19/12/554801912.db2.gz VIDQBSLTRASZDS-UHFFFAOYSA-N 0 0 494.661 4.219 50 0 JIAARN COCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(OC)c2)cc1 ZINC000008913404 554805355 /nfs/dbraw/zinc/80/53/55/554805355.db2.gz HVFXTAKBVTYSTM-UHFFFAOYSA-N 0 0 462.575 4.157 50 0 JIAARN Cc1cc2oc(C(=O)N(Cc3ccc(C(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2cc1C ZINC000008915626 554809560 /nfs/dbraw/zinc/80/95/60/554809560.db2.gz GLTPMHRGUXPZAQ-OAQYLSRUSA-N 0 0 467.587 4.363 50 0 JIAARN COc1ccc2nc(NC(=O)c3nc(S(=O)(=O)Cc4ccc(F)cc4)ncc3Cl)sc2c1 ZINC000008916998 554811714 /nfs/dbraw/zinc/81/17/14/554811714.db2.gz QAVQOQBHCLXZMQ-UHFFFAOYSA-N 0 0 492.941 4.114 50 0 JIAARN COc1ccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008917703 554813274 /nfs/dbraw/zinc/81/32/74/554813274.db2.gz VZZQGYIEVFTSFW-NOOLENRPSA-N 0 0 484.593 4.028 50 0 biogenic JIAARN CC(=O)[C@@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]2(c3ccccc3NC2=O)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000008917978 554813729 /nfs/dbraw/zinc/81/37/29/554813729.db2.gz HHIVHNAPXWJKBO-UUROJUAVSA-N 0 0 492.531 4.286 50 0 biogenic JIAARN COc1ccccc1CNC(=O)c1ccccc1N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008918133 554814161 /nfs/dbraw/zinc/81/41/61/554814161.db2.gz XWFVDUHNKKOMRP-LJAQVGFWSA-N 0 0 494.551 4.347 50 0 biogenic JIAARN COc1ccc(OC)c(C(=O)C[C@]2(O)c3cc(Br)ccc3N(Cc3ccccc3)C2=O)c1 ZINC000008921137 554817840 /nfs/dbraw/zinc/81/78/40/554817840.db2.gz BYAYVDOLJWXPCX-VWLOTQADSA-N 0 0 496.357 4.474 50 0 JIAARN C[C@H](CNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)c1ccccc1 ZINC000008933047 554826621 /nfs/dbraw/zinc/82/66/21/554826621.db2.gz LENPCCVMCVPUFO-HXUWFJFHSA-N 0 0 450.542 4.319 50 0 JIAARN COc1ccccc1CNC(=O)Cn1ncc2c3ccccc3n(Cc3cc(C)ccc3C)c2c1=O ZINC000008933194 554826834 /nfs/dbraw/zinc/82/68/34/554826834.db2.gz XCVUQBHVFRURDU-UHFFFAOYSA-N 0 0 480.568 4.341 50 0 JIAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000008933622 554827783 /nfs/dbraw/zinc/82/77/83/554827783.db2.gz UZDMJMHBQPFLFD-UHFFFAOYSA-N 0 0 479.584 4.413 50 0 JIAARN C[C@@H]1C[C@H](C)CN(C(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)C1 ZINC000008933689 554827975 /nfs/dbraw/zinc/82/79/75/554827975.db2.gz KIHSQJOUPFUJGQ-OYRHEFFESA-N 0 0 459.594 4.020 50 0 JIAARN Cc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(Cl)cccc2Cl)cc1C ZINC000008934200 554828592 /nfs/dbraw/zinc/82/85/92/554828592.db2.gz DXJKHWBDMFPWBJ-UHFFFAOYSA-N 0 0 459.333 4.198 50 0 JIAARN COC(=O)CN1[C@H](c2ccccc2)c2cc(Br)ccc2N[C@]1(O)c1ccccc1 ZINC000008934235 554828675 /nfs/dbraw/zinc/82/86/75/554828675.db2.gz HXSJLWRKXXNZLF-DHIUTWEWSA-N 0 0 453.336 4.242 50 0 JIAARN Cc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)cc1C ZINC000008934416 554829093 /nfs/dbraw/zinc/82/90/93/554829093.db2.gz DPFZXTSPELWCTJ-UHFFFAOYSA-N 0 0 459.333 4.198 50 0 JIAARN COC[C@H](C)n1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)c1C ZINC000008942001 554832187 /nfs/dbraw/zinc/83/21/87/554832187.db2.gz KYPRSWGUPAAKKM-PKOBYXMFSA-N 0 0 469.607 4.176 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1OC ZINC000008961453 554837848 /nfs/dbraw/zinc/83/78/48/554837848.db2.gz NCEGYLOUFIVLHE-UHFFFAOYSA-N 0 0 454.504 4.195 50 0 JIAARN O=C(CSc1nnnn1-c1ccc(Cl)cc1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000008965867 554841243 /nfs/dbraw/zinc/84/12/43/554841243.db2.gz QTSCJZPKMJIHLW-INIZCTEOSA-N 0 0 470.967 4.440 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccccc2)cc1 ZINC000008984556 554848350 /nfs/dbraw/zinc/84/83/50/554848350.db2.gz QYIUMMOFJLBPAC-SFQUDFHCSA-N 0 0 465.600 4.034 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)c(C)c1 ZINC000008985041 554848645 /nfs/dbraw/zinc/84/86/45/554848645.db2.gz BPWSDSIJHZPREA-XYOKQWHBSA-N 0 0 455.561 4.224 50 0 JIAARN CCCCCn1nc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c2ccccc2c1=O ZINC000008987691 554850122 /nfs/dbraw/zinc/85/01/22/554850122.db2.gz AKFRTCGRCHBYNH-UHFFFAOYSA-N 0 0 485.382 4.026 50 0 JIAARN CCN(CC)C(=O)[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1 ZINC000008988603 554851129 /nfs/dbraw/zinc/85/11/29/554851129.db2.gz ACTKYDAMLMERMN-KNQAVFIVSA-N 0 0 451.592 4.277 50 0 JIAARN CCN(CC)C(=O)[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000008988594 554851187 /nfs/dbraw/zinc/85/11/87/554851187.db2.gz ACTKYDAMLMERMN-SIKLNZKXSA-N 0 0 451.592 4.277 50 0 JIAARN Cc1c(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c(=O)oc2cc(O)cc(O)c12 ZINC000008990280 554852039 /nfs/dbraw/zinc/85/20/39/554852039.db2.gz NXGZXLUCFHNSJU-UHFFFAOYSA-N 0 0 450.516 4.071 50 0 JIAARN COc1ccc(-c2coc3cc(OCC(=O)Nc4ccc5c(c4)OCCO5)ccc3c2=O)cc1 ZINC000008990667 554852232 /nfs/dbraw/zinc/85/22/32/554852232.db2.gz RPFJNSWZUPRYBL-UHFFFAOYSA-N 0 0 459.454 4.257 50 0 biogenic JIAARN COCCCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1C ZINC000009011038 554863954 /nfs/dbraw/zinc/86/39/54/554863954.db2.gz KSXXLMIYMGQHQH-UHFFFAOYSA-N 0 0 465.575 4.468 50 0 JIAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccccc1Br ZINC000009013324 554864996 /nfs/dbraw/zinc/86/49/96/554864996.db2.gz LCLSABAEKAAFLP-QHAWAJNXSA-N 0 0 465.303 4.206 50 0 JIAARN CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1nnc2ccccn21 ZINC000009043631 554869696 /nfs/dbraw/zinc/86/96/96/554869696.db2.gz KYGUPRWHXMPHOY-CYBMUJFWSA-N 0 0 464.922 4.174 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCc2sccc2[C@H]1C1CC1 ZINC000009052014 554872433 /nfs/dbraw/zinc/87/24/33/554872433.db2.gz AAWOKYNMAQRGEP-XMMPIXPASA-N 0 0 473.664 4.179 50 0 JIAARN C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009056392 554874740 /nfs/dbraw/zinc/87/47/40/554874740.db2.gz KQIYHQORGHFCHT-OAHLLOKOSA-N 0 0 489.648 4.186 50 0 JIAARN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000009056486 554874954 /nfs/dbraw/zinc/87/49/54/554874954.db2.gz QZWHQIRBKKYFQR-JOCHJYFZSA-N 0 0 495.626 4.125 50 0 JIAARN COc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000009057553 554876696 /nfs/dbraw/zinc/87/66/96/554876696.db2.gz FCADUZZDRRVSDH-QGZVFWFLSA-N 0 0 458.967 4.421 50 0 JIAARN COc1cc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)c(OC)cc1NC(=O)c1ccccc1 ZINC000009095371 554893255 /nfs/dbraw/zinc/89/32/55/554893255.db2.gz BPMMFUKKVHFBLU-GOSISDBHSA-N 0 0 465.550 4.076 50 0 JIAARN CCOC(=O)C1CCN(C(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)CC1 ZINC000009096776 554895395 /nfs/dbraw/zinc/89/53/95/554895395.db2.gz CBIWBHYEFXMTSH-UHFFFAOYSA-N 0 0 478.545 4.343 50 0 JIAARN CC(=O)[C@@H]1[C@H](C(=O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009111104 554898521 /nfs/dbraw/zinc/89/85/21/554898521.db2.gz BBELLZXOZFNQMS-PAHOUZJPSA-N 0 0 452.485 4.388 50 0 JIAARN COC(=O)C1=NN(c2ccc(C)cc2)[C@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 ZINC000009111582 554899009 /nfs/dbraw/zinc/89/90/09/554899009.db2.gz VKLRHCNIBLUVJK-QFIPXVFZSA-N 0 0 455.561 4.304 50 0 JIAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000009111847 554899478 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O=C(Nc1cccc(Cl)c1)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009607857 555434281 /nfs/dbraw/zinc/43/42/81/555434281.db2.gz WHDSKKNNYIBAJX-UHFFFAOYSA-N 0 0 465.000 4.068 50 0 JIAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N4CCS[C@H]4c4ccccc4F)C3=O)ccc2c1 ZINC000009609986 555439418 /nfs/dbraw/zinc/43/94/18/555439418.db2.gz JYTHZMLMUREJEE-JYFHCDHNSA-N 0 0 493.560 4.029 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000009713735 555440946 /nfs/dbraw/zinc/44/09/46/555440946.db2.gz PXFPXAGVHFEFFY-UHFFFAOYSA-N 0 0 483.977 4.310 50 0 JIAARN COc1cccc(NC(=O)c2ccc3oc(=O)c(S(=O)(=O)c4ccc(F)cc4)cc3c2)c1 ZINC000009610681 555441629 /nfs/dbraw/zinc/44/16/29/555441629.db2.gz ANGLRUDTTZOQMO-UHFFFAOYSA-N 0 0 453.447 4.026 50 0 JIAARN CCCCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)N1CCCc2ccccc21 ZINC000009611022 555442331 /nfs/dbraw/zinc/44/23/31/555442331.db2.gz NUIABUJOPTUROK-UHFFFAOYSA-N 0 0 493.633 4.088 50 0 JIAARN CCn1c2ccccc2c2sc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)cc2c1=O ZINC000009611119 555442731 /nfs/dbraw/zinc/44/27/31/555442731.db2.gz MUDKPXUCXZUIBL-UHFFFAOYSA-N 0 0 459.571 4.401 50 0 JIAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000009715101 555446459 /nfs/dbraw/zinc/44/64/59/555446459.db2.gz CYVNPBGUIGSVQX-UHFFFAOYSA-N 0 0 470.348 4.257 50 0 JIAARN Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000009612849 555446906 /nfs/dbraw/zinc/44/69/06/555446906.db2.gz KGEPEDGYMOURNB-QHCPKHFHSA-N 0 0 483.565 4.328 50 0 JIAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)OCC(=O)c1ccc(Br)s1 ZINC000009716245 555449131 /nfs/dbraw/zinc/44/91/31/555449131.db2.gz YARQNEPGUMWLLH-UHFFFAOYSA-N 0 0 486.343 4.466 50 0 JIAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@@H](C)NC(=O)c1ccccc1OC ZINC000009615046 555452072 /nfs/dbraw/zinc/45/20/72/555452072.db2.gz XUUNSDVJCGQJFK-OAHLLOKOSA-N 0 0 488.013 4.490 50 0 JIAARN CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000009616605 555453781 /nfs/dbraw/zinc/45/37/81/555453781.db2.gz 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Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 ZINC000009619113 555455945 /nfs/dbraw/zinc/45/59/45/555455945.db2.gz KVWPHPAFRMCEMQ-GOSISDBHSA-N 0 0 471.513 4.010 50 0 JIAARN C[C@@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009723837 555455946 /nfs/dbraw/zinc/45/59/46/555455946.db2.gz LZUUFPOCGKXGHG-MRXNPFEDSA-N 0 0 475.599 4.386 50 0 JIAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1C ZINC000009724796 555457553 /nfs/dbraw/zinc/45/75/53/555457553.db2.gz XQMBLPLAEGNVIF-GJZGRUSLSA-N 0 0 474.608 4.281 50 0 JIAARN CC(C)NC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3ccc(F)cc3Cl)c2=O)CC1 ZINC000009725975 555459355 /nfs/dbraw/zinc/45/93/55/555459355.db2.gz QYVDUEAGMMJCKI-UHFFFAOYSA-N 0 0 492.016 4.397 50 0 JIAARN O=C(c1c[nH]c2ccccc21)[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1ccccc1 ZINC000009726417 555459888 /nfs/dbraw/zinc/45/98/88/555459888.db2.gz UUCJGRMRLYLDQT-OYHNWAKOSA-N 0 0 467.572 4.244 50 0 JIAARN CCn1cc(C(=O)NCCC2=CCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000009726170 555459909 /nfs/dbraw/zinc/45/99/09/555459909.db2.gz DULMMJLNYLOTEB-UHFFFAOYSA-N 0 0 485.650 4.206 50 0 JIAARN CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000009726315 555459958 /nfs/dbraw/zinc/45/99/58/555459958.db2.gz GKQPUFUHRLOZPQ-UHFFFAOYSA-N 0 0 487.666 4.283 50 0 JIAARN CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2Cl)c1 ZINC000009631676 555460991 /nfs/dbraw/zinc/46/09/91/555460991.db2.gz FPAXTHDBDPDKFE-UHFFFAOYSA-N 0 0 498.004 4.306 50 0 JIAARN CCOc1c(Br)cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1OC ZINC000009632011 555462192 /nfs/dbraw/zinc/46/21/92/555462192.db2.gz YDFGATHCZWSMBW-UHFFFAOYSA-N 0 0 485.381 4.122 50 0 JIAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009727975 555462179 /nfs/dbraw/zinc/46/21/79/555462179.db2.gz WUNPSNADJRQZEZ-CHWSQXEVSA-N 0 0 454.577 4.389 50 0 JIAARN COc1ccc(-n2c(SCC(=O)NCc3cccs3)nnc2-c2ccccc2)cc1OC 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O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000009742439 555474276 /nfs/dbraw/zinc/47/42/76/555474276.db2.gz PLJIZDXCPFTZIJ-QFIPXVFZSA-N 0 0 479.620 4.260 50 0 JIAARN COc1ccc(C2=NN(C(=O)COc3cccc4c3CCNC4=O)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000009743316 555474903 /nfs/dbraw/zinc/47/49/03/555474903.db2.gz GSICCUZQIRQXAN-RUZDIDTESA-N 0 0 469.541 4.046 50 0 JIAARN COc1cc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2C[C@H]2CCCO2)cc(OC)c1 ZINC000009750820 555482463 /nfs/dbraw/zinc/48/24/63/555482463.db2.gz KNJHVHISARWQAL-MRXNPFEDSA-N 0 0 495.557 4.070 50 0 JIAARN COc1ccc(NC(=O)CN2c3ccc(C)cc3[C@@]3(SCC(=O)N3c3ccc(F)cc3)C2=O)cc1 ZINC000009752981 555484145 /nfs/dbraw/zinc/48/41/45/555484145.db2.gz KHPJCPSZVRMCDU-AREMUKBSSA-N 0 0 491.544 4.061 50 0 JIAARN Cc1cccc2c1N(CC(=O)Nc1ccccc1F)C(=O)[C@]21SCC(=O)N1c1ccc(F)cc1 ZINC000009753146 555484401 /nfs/dbraw/zinc/48/44/01/555484401.db2.gz FUIYSIVBVYKORX-RUZDIDTESA-N 0 0 479.508 4.191 50 0 JIAARN COc1ccc(-c2noc(CN(C(=O)COc3ccccc3OC)C3CCCCC3)n2)cc1 ZINC000013517779 555485613 /nfs/dbraw/zinc/48/56/13/555485613.db2.gz RUSYVGLPBIFOFF-UHFFFAOYSA-N 0 0 451.523 4.494 50 0 JIAARN CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1O ZINC000013521257 555485937 /nfs/dbraw/zinc/48/59/37/555485937.db2.gz BUWMXTLQTIMSNK-AREMUKBSSA-N 0 0 490.556 4.047 50 0 JIAARN CCOC(=O)c1nn(-c2ccccc2Cl)c(=O)cc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000009761769 555486450 /nfs/dbraw/zinc/48/64/50/555486450.db2.gz KTOHCWOOFRHUJF-UHFFFAOYSA-N 0 0 469.925 4.005 50 0 JIAARN O=C(Cc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1)NCc1ccccc1 ZINC000009777609 555496164 /nfs/dbraw/zinc/49/61/64/555496164.db2.gz BKGURQKCEBNLRX-UHFFFAOYSA-N 0 0 469.632 4.234 50 0 JIAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)n1C ZINC000009781251 555501434 /nfs/dbraw/zinc/50/14/34/555501434.db2.gz FNTXBNMDWZEIIX-UHFFFAOYSA-N 0 0 471.586 4.451 50 0 JIAARN C[C@@H]1CCN(C(=O)CSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)c2ccccc2S1 ZINC000009781208 555501444 /nfs/dbraw/zinc/50/14/44/555501444.db2.gz MRSCDBCAQHSJCK-QGZVFWFLSA-N 0 0 499.637 4.253 50 0 JIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C2=NN(S(C)(=O)=O)[C@@H](c3ccco3)C2)cc1 ZINC000009781641 555501892 /nfs/dbraw/zinc/50/18/92/555501892.db2.gz BXZRJXYPDVCGJS-JOCHJYFZSA-N 0 0 462.531 4.252 50 0 JIAARN C[C@H](Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000009782732 555503548 /nfs/dbraw/zinc/50/35/48/555503548.db2.gz SZOUWEUGHWVPLO-FUHWJXTLSA-N 0 0 472.998 4.276 50 0 JIAARN O=C(Nc1ccccc1N1CCCC1=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009782580 555503555 /nfs/dbraw/zinc/50/35/55/555503555.db2.gz LOISSOQVJNSWNA-UHFFFAOYSA-N 0 0 495.988 4.471 50 0 JIAARN CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)ccc21 ZINC000009789973 555509084 /nfs/dbraw/zinc/50/90/84/555509084.db2.gz BTYZMFUDLOVWIR-UHFFFAOYSA-N 0 0 486.594 4.106 50 0 JIAARN O=C(c1ccc(Cl)cc1Cl)N1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000019848473 555510220 /nfs/dbraw/zinc/51/02/20/555510220.db2.gz PGPJGQVJBUZVDG-UHFFFAOYSA-N 0 0 482.367 4.201 50 0 JIAARN Cc1ccccc1Nc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)s1 ZINC000009793008 555511302 /nfs/dbraw/zinc/51/13/02/555511302.db2.gz VQZIWMAVOYQVAD-UHFFFAOYSA-N 0 0 489.648 4.105 50 0 JIAARN COc1ccc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1Br ZINC000019853728 555512150 /nfs/dbraw/zinc/51/21/50/555512150.db2.gz KGSCAZSTXAOXKZ-UHFFFAOYSA-N 0 0 475.408 4.117 50 0 JIAARN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009795972 555513389 /nfs/dbraw/zinc/51/33/89/555513389.db2.gz NIQZWGPAOSXINU-QFIPXVFZSA-N 0 0 483.973 4.170 50 0 JIAARN O=C(OCc1nc(-c2cccs2)no1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000009797898 555514622 /nfs/dbraw/zinc/51/46/22/555514622.db2.gz VBUPOMSYSSYXJI-UHFFFAOYSA-N 0 0 489.962 4.287 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000009804818 555516616 /nfs/dbraw/zinc/51/66/16/555516616.db2.gz QVHAMGABMGZEHK-UHFFFAOYSA-N 0 0 480.586 4.314 50 0 JIAARN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1Cl ZINC000009805616 555517871 /nfs/dbraw/zinc/51/78/71/555517871.db2.gz DQXBAOAEWJZPMJ-INIZCTEOSA-N 0 0 474.966 4.406 50 0 JIAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cc2c(cc1Br)OCO2 ZINC000009815737 555521662 /nfs/dbraw/zinc/52/16/62/555521662.db2.gz QBXGOCQAEVDJSR-UHFFFAOYSA-N 0 0 465.303 4.173 50 0 JIAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009818710 555522614 /nfs/dbraw/zinc/52/26/14/555522614.db2.gz UOWNEQYQHLUUKQ-UHFFFAOYSA-N 0 0 488.013 4.057 50 0 JIAARN CC(C)C[C@H](C(=O)N1CCc2cc3c(cc2[C@H]1C)OCCCO3)N1C(=O)c2ccccc2C1=O ZINC000013592394 555527225 /nfs/dbraw/zinc/52/72/25/555527225.db2.gz GCFLLHCAKJAADK-VGOFRKELSA-N 0 0 462.546 4.005 50 0 JIAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)Nc1ccc2c(c1)OCCO2 ZINC000009829877 555528469 /nfs/dbraw/zinc/52/84/69/555528469.db2.gz RGUMZZQEUKRZTK-UHFFFAOYSA-N 0 0 462.527 4.025 50 0 JIAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCc4ccccc42)c2ccccc23)cc1 ZINC000009829962 555529047 /nfs/dbraw/zinc/52/90/47/555529047.db2.gz PMMFEPWUBVJWEP-UHFFFAOYSA-N 0 0 455.543 4.367 50 0 JIAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N2CCN(c3ccccc3F)CC2)c1C ZINC000009830256 555529480 /nfs/dbraw/zinc/52/94/80/555529480.db2.gz FEJPBCSGWTWCSW-UHFFFAOYSA-N 0 0 463.553 4.437 50 0 JIAARN COc1ccc(Nc2nc(-c3ccccc3)nc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000013598144 555529702 /nfs/dbraw/zinc/52/97/02/555529702.db2.gz KOIIZIUYVPNNSK-UHFFFAOYSA-N 0 0 476.558 4.070 50 0 JIAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCC(Cc4ccc(OCC)cc4)CC3)C2=O)cc1 ZINC000019890318 555529839 /nfs/dbraw/zinc/52/98/39/555529839.db2.gz YMPCNYNZHCRYMM-VWLOTQADSA-N 0 0 450.579 4.461 50 0 JIAARN C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000019891959 555530432 /nfs/dbraw/zinc/53/04/32/555530432.db2.gz MYFCGVKVRGQRNB-IBVKSMDESA-N 0 0 499.567 4.254 50 0 JIAARN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C ZINC000019892120 555530738 /nfs/dbraw/zinc/53/07/38/555530738.db2.gz RCODOHJXYRWRMC-AJSBUHFISA-N 0 0 454.567 4.212 50 0 JIAARN COc1ccc(-c2c(C)oc3cc(OCCN4C[C@@H](C)O[C@@H](C)C4)ccc3c2=O)cc1OC ZINC000013608417 555532145 /nfs/dbraw/zinc/53/21/45/555532145.db2.gz XGQKZHBKASZTJW-CALCHBBNSA-N 0 0 453.535 4.274 50 0 biogenic JIAARN COc1cccc(C2=NO[C@@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)c1OC ZINC000019894442 555532671 /nfs/dbraw/zinc/53/26/71/555532671.db2.gz HLUXBYMANNRPRS-AREMUKBSSA-N 0 0 485.584 4.131 50 0 JIAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1 ZINC000013610023 555533980 /nfs/dbraw/zinc/53/39/80/555533980.db2.gz CFSBIWWBEZVVQO-REWPJTCUSA-N 0 0 458.530 4.088 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000009831975 555535026 /nfs/dbraw/zinc/53/50/26/555535026.db2.gz HELWUVRVNTVPSP-UHFFFAOYSA-N 0 0 464.591 4.485 50 0 JIAARN O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000009832406 555535221 /nfs/dbraw/zinc/53/52/21/555535221.db2.gz DBTGCAKTASJKEB-UHFFFAOYSA-N 0 0 493.566 4.419 50 0 JIAARN O=C(c1ccccc1Br)N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000009834014 555536987 /nfs/dbraw/zinc/53/69/87/555536987.db2.gz YCBDPTGHBXLPML-CQSZACIVSA-N 0 0 471.170 4.169 50 0 JIAARN COc1ccc(CCNC(=O)/C(=C\c2ccc(C)cc2)NC(=O)c2ccc(C)cc2)cc1OC ZINC000019913014 555539190 /nfs/dbraw/zinc/53/91/90/555539190.db2.gz LCXMVNFJUPRXER-JJIBRWJFSA-N 0 0 458.558 4.450 50 0 JIAARN C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1=O ZINC000009834919 555539178 /nfs/dbraw/zinc/53/91/78/555539178.db2.gz OHTDLRCJCDJPLW-DEOSSOPVSA-N 0 0 454.958 4.126 50 0 JIAARN O=C(Nc1ccccc1N1CCOCC1)c1ccnc(N2CCC(O)(c3ccc(Cl)cc3)CC2)c1 ZINC000019924948 555540853 /nfs/dbraw/zinc/54/08/53/555540853.db2.gz KJADXSDMZFPBMS-UHFFFAOYSA-N 0 0 493.007 4.312 50 0 JIAARN COc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)cc3)cnc3cc4c(cc32)OCO4)cc1 ZINC000009847555 555549140 /nfs/dbraw/zinc/54/91/40/555549140.db2.gz GFZNRSALAJPZLG-UHFFFAOYSA-N 0 0 461.495 4.344 50 0 JIAARN COc1ccc(CCN2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000009850197 555552573 /nfs/dbraw/zinc/55/25/73/555552573.db2.gz YNIUTHLKFLHUJS-HSZRJFAPSA-N 0 0 479.483 4.382 50 0 JIAARN COc1cc(Br)c(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1OC ZINC000009851565 555554590 /nfs/dbraw/zinc/55/45/90/555554590.db2.gz PIMUEBKEKTWABB-UHFFFAOYSA-N 0 0 472.401 4.121 50 0 JIAARN CCOc1ccc(C(C)C)cc1S(=O)(=O)NCCOc1ccc(-c2ccc(F)cc2)nn1 ZINC000009852950 555555018 /nfs/dbraw/zinc/55/50/18/555555018.db2.gz BQDIWJFMHBUENN-UHFFFAOYSA-N 0 0 459.543 4.162 50 0 JIAARN CCc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc2c(c1)OCO2 ZINC000009855813 555555808 /nfs/dbraw/zinc/55/58/08/555555808.db2.gz LUXUYBWYXRJOLN-UHFFFAOYSA-N 0 0 454.482 4.162 50 0 JIAARN Cc1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000019939382 555557604 /nfs/dbraw/zinc/55/76/04/555557604.db2.gz PZYLDOPQYSARIS-DEOSSOPVSA-N 0 0 451.448 4.473 50 0 JIAARN O=C(Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(Cl)ccc21)Nc1ccc(F)cc1 ZINC000009856886 555557772 /nfs/dbraw/zinc/55/77/72/555557772.db2.gz PLJDAQMPNNLFQO-UHFFFAOYSA-N 0 0 470.909 4.266 50 0 JIAARN CC(C)Cc1nc2sc3c(ncnc3NCCN3CCOCC3)c2c2c1COC(C)(C)C2 ZINC000019940177 555558270 /nfs/dbraw/zinc/55/82/70/555558270.db2.gz UMLCHMSXDVJNPZ-UHFFFAOYSA-N 0 0 455.628 4.033 50 0 JIAARN COc1ccccc1NC(=O)Cn1cc(S(=O)(=O)c2ccc(C)c(C)c2)c(=O)c2ccccc21 ZINC000009857203 555558316 /nfs/dbraw/zinc/55/83/16/555558316.db2.gz UQIFQJKNZBLGKS-UHFFFAOYSA-N 0 0 476.554 4.098 50 0 JIAARN Cc1nn2c(nnc3c2ccn(-c2ccc(OC(F)(F)F)cc2)c3=O)c1-c1ccc(F)cc1 ZINC000019962682 555573674 /nfs/dbraw/zinc/57/36/74/555573674.db2.gz ZLHXEMOOMOJZBX-UHFFFAOYSA-N 0 0 455.371 4.442 50 0 JIAARN CCNC(=O)c1cccc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000009983281 555582733 /nfs/dbraw/zinc/58/27/33/555582733.db2.gz AJZZBXRWHDTOKR-UHFFFAOYSA-N 0 0 481.936 4.368 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000009984640 555583910 /nfs/dbraw/zinc/58/39/10/555583910.db2.gz OTUDYBYOYJIEFN-HSZRJFAPSA-N 0 0 457.534 4.485 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cccc(Br)c1 ZINC000009986330 555585024 /nfs/dbraw/zinc/58/50/24/555585024.db2.gz FJORRDBHFWHLIQ-UHFFFAOYSA-N 0 0 487.375 4.461 50 0 JIAARN COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1 ZINC000009988023 555586897 /nfs/dbraw/zinc/58/68/97/555586897.db2.gz SJABMMYTPYSBNS-XSFVSMFZSA-N 0 0 499.972 4.475 50 0 JIAARN Cc1c(C(=O)N(C)c2cc(Cl)ccc2C)sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 ZINC000010013313 555594476 /nfs/dbraw/zinc/59/44/76/555594476.db2.gz DSQMOURGPJUZLA-OAHLLOKOSA-N 0 0 487.025 4.406 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc([C@@H](CC)N(C)C)n2Cc2ccccc2)c1C ZINC000010021805 555597381 /nfs/dbraw/zinc/59/73/81/555597381.db2.gz JLAWTHPUICRERI-LJQANCHMSA-N 0 0 483.638 4.436 50 0 JIAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 ZINC000010027219 555599989 /nfs/dbraw/zinc/59/99/89/555599989.db2.gz NXBULPQALAQTLE-NRFANRHFSA-N 0 0 473.620 4.081 50 0 JIAARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(Br)s2)C1=O ZINC000010030380 555600822 /nfs/dbraw/zinc/60/08/22/555600822.db2.gz REUNHQIYTWDJHQ-LJQANCHMSA-N 0 0 453.333 4.470 50 0 JIAARN COc1ccc(-c2nc3sc(C(=O)N4CCCCC4)c(OCCN4CCOCC4)c3c(C)n2)cc1 ZINC000013730065 555602799 /nfs/dbraw/zinc/60/27/99/555602799.db2.gz OWPOWXGSQXCTCT-UHFFFAOYSA-N 0 0 496.633 4.012 50 0 JIAARN Cc1ccccc1N1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)CC1 ZINC000010036573 555602997 /nfs/dbraw/zinc/60/29/97/555602997.db2.gz CVGNFUXUPFWRFG-QHCPKHFHSA-N 0 0 472.614 4.228 50 0 JIAARN Cc1ccc(CN2CCN(C(=O)c3ccn(COc4cc(C)c(Cl)c(C)c4)n3)CC2)cc1 ZINC000020028678 555604556 /nfs/dbraw/zinc/60/45/56/555604556.db2.gz NVENATLUBPZWQK-UHFFFAOYSA-N 0 0 452.986 4.456 50 0 JIAARN COc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3)C2=O)cc1OC ZINC000010059182 555609355 /nfs/dbraw/zinc/60/93/55/555609355.db2.gz LVDLUNBQTUTUSZ-VWLOTQADSA-N 0 0 451.906 4.365 50 0 JIAARN CCc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000013751808 555609937 /nfs/dbraw/zinc/60/99/37/555609937.db2.gz FSGPFYSEOIABHK-YLJYHZDGSA-N 0 0 450.000 4.194 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1NC(=O)c1ccccc1C ZINC000010060023 555611774 /nfs/dbraw/zinc/61/17/74/555611774.db2.gz PCSOEBABROMTLC-UHFFFAOYSA-N 0 0 453.520 4.015 50 0 JIAARN COCCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000010062910 555613739 /nfs/dbraw/zinc/61/37/39/555613739.db2.gz AVDUCFOZZGYVAT-UHFFFAOYSA-N 0 0 470.451 4.446 50 0 JIAARN CCN(CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2cc(C)cc(C)c2s1 ZINC000010067207 555614412 /nfs/dbraw/zinc/61/44/12/555614412.db2.gz NPQQEKSUVPIZPL-UHFFFAOYSA-N 0 0 473.664 4.452 50 0 JIAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 ZINC000010075650 555615249 /nfs/dbraw/zinc/61/52/49/555615249.db2.gz UBOJNHCZGVOGEX-SANMLTNESA-N 0 0 457.574 4.327 50 0 JIAARN CCN(C(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1-c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000010087466 555617094 /nfs/dbraw/zinc/61/70/94/555617094.db2.gz PNRPWTGOEIIQTA-UYAOXDASSA-N 0 0 499.658 4.064 50 0 JIAARN COCCn1c(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cs/c1=N\c1ccccc1 ZINC000013778315 555617373 /nfs/dbraw/zinc/61/73/73/555617373.db2.gz OLNRUDHYPVQPMA-VHXPQNKSSA-N 0 0 457.621 4.270 50 0 JIAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000010109403 555618680 /nfs/dbraw/zinc/61/86/80/555618680.db2.gz NCDUZHGJZKQMPY-UHFFFAOYSA-N 0 0 491.544 4.490 50 0 JIAARN O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000013811604 555628470 /nfs/dbraw/zinc/62/84/70/555628470.db2.gz HTWRCSWBJKZAPN-CFZSEITHSA-N 0 0 476.747 4.078 50 0 JIAARN O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000013817186 555629744 /nfs/dbraw/zinc/62/97/44/555629744.db2.gz ZYKXAJYKFUNRFZ-DVSDUFGPSA-N 0 0 476.747 4.078 50 0 JIAARN CCOC(=O)c1sc2c(c1C)c(=O)n(-c1cccc(Cl)c1)c(=O)n2Cc1ccccc1 ZINC000020100201 555633390 /nfs/dbraw/zinc/63/33/90/555633390.db2.gz CUMKYKHEGSLLIU-UHFFFAOYSA-N 0 0 454.935 4.401 50 0 JIAARN COc1cccc(N2CCN(c3nc(C)c4c(n3)C[C@H](c3ccc(OC)cc3OC)CC4=O)CC2)c1 ZINC000020101900 555634319 /nfs/dbraw/zinc/63/43/19/555634319.db2.gz WKBCCMLTWVAUQF-IBGZPJMESA-N 0 0 488.588 4.050 50 0 JIAARN CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl ZINC000010133710 555635852 /nfs/dbraw/zinc/63/58/52/555635852.db2.gz ICTUUSGHPRVFPO-HXUWFJFHSA-N 0 0 485.993 4.075 50 0 JIAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1cc(F)ccc1F ZINC000010141916 555636401 /nfs/dbraw/zinc/63/64/01/555636401.db2.gz ACMFHXDTTRPTTC-UHFFFAOYSA-N 0 0 459.522 4.105 50 0 JIAARN CCN(CC)C(=S)SCC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000010153945 555637928 /nfs/dbraw/zinc/63/79/28/555637928.db2.gz KIWJQAHZHCKHKK-UHFFFAOYSA-N 0 0 455.955 4.116 50 0 JIAARN O=C(CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1)Nc1nccs1 ZINC000013880079 555638583 /nfs/dbraw/zinc/63/85/83/555638583.db2.gz UOEHDCOOZNCNIB-UHFFFAOYSA-N 0 0 452.542 4.284 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2F)cc1 ZINC000010186580 555640140 /nfs/dbraw/zinc/64/01/40/555640140.db2.gz GPSPKBJOBCEFMY-UHFFFAOYSA-N 0 0 453.495 4.033 50 0 JIAARN O=C(CCc1ccccc1)Nc1nnc(SCC(=O)NCCOc2ccc(Cl)cc2)s1 ZINC000013894863 555642512 /nfs/dbraw/zinc/64/25/12/555642512.db2.gz CFWRLRMJRUOUHQ-UHFFFAOYSA-N 0 0 477.011 4.050 50 0 JIAARN O=C(Nc1nc2c(s1)COc1ccccc1-2)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010187212 555643074 /nfs/dbraw/zinc/64/30/74/555643074.db2.gz FFSABRRCSFJAAC-LBPRGKRZSA-N 0 0 482.008 4.209 50 0 JIAARN CN(C(=O)/C=C\c1ccc2c(c1)OCO2)[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000020108299 555643223 /nfs/dbraw/zinc/64/32/23/555643223.db2.gz GRQZTKOSIIKODJ-RFVXKRILSA-N 0 0 472.497 4.038 50 0 JIAARN CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3cc(OC)ccc3s2)cc1 ZINC000010187605 555643641 /nfs/dbraw/zinc/64/36/41/555643641.db2.gz LLRLBLWDSHWWPL-UHFFFAOYSA-N 0 0 467.572 4.341 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)CC1 ZINC000010188179 555644802 /nfs/dbraw/zinc/64/48/02/555644802.db2.gz RRZBADVVTWENSR-UHFFFAOYSA-N 0 0 488.975 4.069 50 0 JIAARN Cc1cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)n(-c2ccccc2)n1 ZINC000010213267 555646846 /nfs/dbraw/zinc/64/68/46/555646846.db2.gz OFLICLKHYVPBQG-NRFANRHFSA-N 0 0 492.580 4.488 50 0 JIAARN Cc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000010215162 555648859 /nfs/dbraw/zinc/64/88/59/555648859.db2.gz ZHQRXBILMLJEEG-INIZCTEOSA-N 0 0 464.971 4.007 50 0 JIAARN CC(=O)NCCc1ccc(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)s1 ZINC000010217085 555649832 /nfs/dbraw/zinc/64/98/32/555649832.db2.gz IHIUTUQNSDYNGM-UHFFFAOYSA-N 0 0 473.554 4.319 50 0 JIAARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nc2ccc(Br)cc2s1 ZINC000010218861 555651652 /nfs/dbraw/zinc/65/16/52/555651652.db2.gz QUVOUCWDCZLZLU-UHFFFAOYSA-N 0 0 457.346 4.391 50 0 JIAARN Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)o2)c1 ZINC000010220639 555653765 /nfs/dbraw/zinc/65/37/65/555653765.db2.gz JBGQPKYMTRTKKP-UHFFFAOYSA-N 0 0 454.552 4.169 50 0 JIAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)cc1OC ZINC000013942852 555654237 /nfs/dbraw/zinc/65/42/37/555654237.db2.gz OHMSAGGIBQRKKD-IBGZPJMESA-N 0 0 482.602 4.280 50 0 JIAARN O=C(NCc1ccccc1Cl)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000010220746 555654380 /nfs/dbraw/zinc/65/43/80/555654380.db2.gz VLIJJTMMGGUOQY-UHFFFAOYSA-N 0 0 453.951 4.249 50 0 JIAARN COC(=O)[C@@H](N[C@H]1C2=C(CCCC2)C(=O)N1CCc1ccc(Cl)cc1)c1cccc(OC)c1 ZINC000020130614 555655778 /nfs/dbraw/zinc/65/57/78/555655778.db2.gz QKZARSOBQATHQV-BJKOFHAPSA-N 0 0 468.981 4.434 50 0 JIAARN CCc1ccc(N2C[C@@H](c3nnc(NC(=O)COc4ccc(Cl)cc4)s3)CC2=O)cc1 ZINC000013944434 555656201 /nfs/dbraw/zinc/65/62/01/555656201.db2.gz HFNHRIZJOSQLPI-HNNXBMFYSA-N 0 0 456.955 4.292 50 0 JIAARN CCc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(NC(=O)C(C)C)cc4)s3)CC2=O)cc1 ZINC000013944557 555656469 /nfs/dbraw/zinc/65/64/69/555656469.db2.gz BTRUSPVFECVZGC-GOSISDBHSA-N 0 0 477.590 4.468 50 0 JIAARN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(I)cc2)C1=O ZINC000013945539 555657415 /nfs/dbraw/zinc/65/74/15/555657415.db2.gz FCPIVCAIOOAOJA-YBEGLDIGSA-N 0 0 478.311 4.275 50 0 JIAARN CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCC(=O)N[C@H](C)c1ccccc1 ZINC000013956100 555660196 /nfs/dbraw/zinc/66/01/96/555660196.db2.gz XKKVOANKOJDYDR-GOSISDBHSA-N 0 0 451.596 4.066 50 0 JIAARN CCOC(=O)c1nn(-c2ccccc2F)c(=O)c2c1csc2NC(=O)c1cc(OC)cc(OC)c1 ZINC000010247076 555660356 /nfs/dbraw/zinc/66/03/56/555660356.db2.gz AFQVGROTCHWETD-UHFFFAOYSA-N 0 0 497.504 4.033 50 0 JIAARN CCOC(=O)CCc1c(C)n(Cc2ccc(Br)cc2)c2nc3ccccc3n2c1=O ZINC000013957710 555661369 /nfs/dbraw/zinc/66/13/69/555661369.db2.gz WSCNBVDEALFVGB-UHFFFAOYSA-N 0 0 468.351 4.264 50 0 JIAARN CCOC(=O)C1=C(CN2CCCC[C@@H]2c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000013961003 555665541 /nfs/dbraw/zinc/66/55/41/555665541.db2.gz LZKPPLWELVQRAT-ZEQKJWHPSA-N 0 0 493.604 4.240 50 0 JIAARN COc1ccc(C(=O)CN2c3ccccc3S(=O)(=O)N(c3cccc(C)c3C)C2=O)cc1 ZINC000010272376 555665953 /nfs/dbraw/zinc/66/59/53/555665953.db2.gz 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ZINC000014247097 555750619 /nfs/dbraw/zinc/75/06/19/555750619.db2.gz DQBHOGLKZGYZKF-INIZCTEOSA-N 0 0 473.668 4.361 50 0 JIAARN Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(COc4ccc(F)cc4)o3)CC2)c1C ZINC000014248404 555751920 /nfs/dbraw/zinc/75/19/20/555751920.db2.gz IABGZGFFDJLDJW-UHFFFAOYSA-N 0 0 465.525 4.011 50 0 JIAARN CN(C)C(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1 ZINC000014250984 555753340 /nfs/dbraw/zinc/75/33/40/555753340.db2.gz NSLYHIBFBQJZJI-SANMLTNESA-N 0 0 498.583 4.024 50 0 JIAARN COc1ccc([C@@H](CNc2ncnc3sc4c(c32)CCCC4)N2CCOCC2)cc1OC ZINC000014251364 555753842 /nfs/dbraw/zinc/75/38/42/555753842.db2.gz YUZYHGMQKHSCIF-GOSISDBHSA-N 0 0 454.596 4.073 50 0 JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccnc3)nn2[C@@H]1c1cccc(OC)c1OC ZINC000011024108 555754027 /nfs/dbraw/zinc/75/40/27/555754027.db2.gz YHZJDPMIDOXTRK-HSZRJFAPSA-N 0 0 498.543 4.294 50 0 JIAARN CCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SCC(=O)N1CCCc2ccccc21 ZINC000020285881 555754470 /nfs/dbraw/zinc/75/44/70/555754470.db2.gz IJNBOXLGEAKCNW-UHFFFAOYSA-N 0 0 493.677 4.202 50 0 JIAARN Cc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(F)c(C(F)(F)F)c4)n3n2)cc1 ZINC000011025891 555754677 /nfs/dbraw/zinc/75/46/77/555754677.db2.gz PBAOZWIRCNMESJ-UHFFFAOYSA-N 0 0 484.500 4.445 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N4CCCCC4)n3)cc2)cc1 ZINC000011027547 555754854 /nfs/dbraw/zinc/75/48/54/555754854.db2.gz ZMFIPEQPPRFTKI-UHFFFAOYSA-N 0 0 480.594 4.278 50 0 JIAARN CN(C)S(=O)(=O)c1ccc2nc(NC(=O)CCSc3ccc(Cl)cc3)sc2c1 ZINC000011027613 555755285 /nfs/dbraw/zinc/75/52/85/555755285.db2.gz FWQXXZLNSXKDHC-UHFFFAOYSA-N 0 0 456.014 4.321 50 0 JIAARN CCOc1cc2c(cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)O[C@@H](C)C2 ZINC000011044674 555755826 /nfs/dbraw/zinc/75/58/26/555755826.db2.gz HLTCNVYUZIWZBG-SFHVURJKSA-N 0 0 466.559 4.243 50 0 JIAARN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000011069618 555757279 /nfs/dbraw/zinc/75/72/79/555757279.db2.gz MKJJUURQMUATBA-KGLIPLIRSA-N 0 0 463.365 4.016 50 0 JIAARN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000011069624 555757286 /nfs/dbraw/zinc/75/72/86/555757286.db2.gz MKJJUURQMUATBA-KBPBESRZSA-N 0 0 463.365 4.016 50 0 JIAARN Cc1ccc(Nc2nn(CN(CC(C)C)[C@@H]3CCS(=O)(=O)C3)c(=S)s2)cc1Cl ZINC000014264275 555757354 /nfs/dbraw/zinc/75/73/54/555757354.db2.gz RKPQPTYHGGMQRF-OAHLLOKOSA-N 0 0 461.078 4.482 50 0 JIAARN O=S1(=O)CC[C@H](N(Cn2nc(-c3ccc(Cl)cc3)n(Cc3ccccc3)c2=S)C2CC2)C1 ZINC000014265829 555757357 /nfs/dbraw/zinc/75/73/57/555757357.db2.gz PPGXBSFPHDDTMF-NRFANRHFSA-N 0 0 489.066 4.392 50 0 JIAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000011119546 555760800 /nfs/dbraw/zinc/76/08/00/555760800.db2.gz FJJZKTMNBHQYRJ-UHFFFAOYSA-N 0 0 491.613 4.449 50 0 JIAARN CC(C)C[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccccc1 ZINC000011228269 555767844 /nfs/dbraw/zinc/76/78/44/555767844.db2.gz QIPZAEBHQJVXGC-SFHVURJKSA-N 0 0 460.504 4.263 50 0 JIAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1Cl ZINC000014271808 555767903 /nfs/dbraw/zinc/76/79/03/555767903.db2.gz TVQBNIQDEKEOQG-UHFFFAOYSA-N 0 0 467.422 4.271 50 0 JIAARN CC[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000011231872 555768248 /nfs/dbraw/zinc/76/82/48/555768248.db2.gz VKCKQEMMXLMPHY-LJQANCHMSA-N 0 0 453.029 4.338 50 0 JIAARN CCCn1c2ccc(Cl)cc2nc1SCC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000011235737 555768603 /nfs/dbraw/zinc/76/86/03/555768603.db2.gz LDWDMZOEPMIZSW-MRXNPFEDSA-N 0 0 482.027 4.001 50 0 JIAARN CCCn1c(SCC(=O)NCCCN(C)c2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000011293993 555771309 /nfs/dbraw/zinc/77/13/09/555771309.db2.gz IJWPWOXCIDWEEX-UHFFFAOYSA-N 0 0 470.664 4.092 50 0 JIAARN Cc1nc2ccc(S(=O)(=O)N[C@@H](C(=O)N3CC=C(c4ccccc4)CC3)C(C)C)cc2s1 ZINC000020326247 555773009 /nfs/dbraw/zinc/77/30/09/555773009.db2.gz YPAGGKREAFNSSC-HSZRJFAPSA-N 0 0 469.632 4.224 50 0 JIAARN C[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O)c1ccccc1 ZINC000011378728 555776066 /nfs/dbraw/zinc/77/60/66/555776066.db2.gz GJLAPLSEVMTZTL-IBGZPJMESA-N 0 0 476.577 4.151 50 0 JIAARN Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c(C)cc1Cl ZINC000020344710 555778772 /nfs/dbraw/zinc/77/87/72/555778772.db2.gz ZPAJYXBUCFVFHJ-MRXNPFEDSA-N 0 0 457.017 4.321 50 0 JIAARN Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3)C2=O)c1 ZINC000020355228 555782769 /nfs/dbraw/zinc/78/27/69/555782769.db2.gz ONNXEWMNGCTQCW-OVVQPSECSA-N 0 0 495.579 4.299 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(C)cc2)S3)C1 ZINC000020355257 555783036 /nfs/dbraw/zinc/78/30/36/555783036.db2.gz DEMAGNOFOPKKOF-PPRFWAEMSA-N 0 0 450.560 4.496 50 0 JIAARN Cc1ccc(NC(=S)N2CCN(c3ccc4nnc(-c5ccc(F)cc5)n4n3)CC2)c(Cl)c1 ZINC000020355795 555784573 /nfs/dbraw/zinc/78/45/73/555784573.db2.gz NGSHICPVQRHCBN-UHFFFAOYSA-N 0 0 481.988 4.411 50 0 JIAARN Cc1c(NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000011558722 555787511 /nfs/dbraw/zinc/78/75/11/555787511.db2.gz RAKFZWWYNSFVQG-UHFFFAOYSA-N 0 0 467.529 4.272 50 0 JIAARN O=C(NCCc1nc2ccccc2n1C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000014289489 555791644 /nfs/dbraw/zinc/79/16/44/555791644.db2.gz TUEPXGUUKZUZDW-FQEVSTJZSA-N 0 0 494.389 4.211 50 0 JIAARN O=C(Nc1ccc(F)cc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000011650885 555794369 /nfs/dbraw/zinc/79/43/69/555794369.db2.gz ZLNGSKLUKBDIAY-INIZCTEOSA-N 0 0 461.740 4.033 50 0 JIAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000011653486 555794428 /nfs/dbraw/zinc/79/44/28/555794428.db2.gz VMKIMPNLRNUHEZ-UHFFFAOYSA-N 0 0 489.528 4.100 50 0 JIAARN Cc1cc(NC(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)ccc1N1CCCC1=O ZINC000011677476 555798784 /nfs/dbraw/zinc/79/87/84/555798784.db2.gz ZXRJUNVDOXHJJN-NRFANRHFSA-N 0 0 472.383 4.277 50 0 JIAARN COC(=O)c1ccccc1NC(=O)c1nnn(-c2ccc3noc(-c4ccccc4)c3c2)c1C ZINC000011690622 555800030 /nfs/dbraw/zinc/80/00/30/555800030.db2.gz XHZVMSNWHRFDDE-UHFFFAOYSA-N 0 0 453.458 4.423 50 0 JIAARN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000014369588 555800418 /nfs/dbraw/zinc/80/04/18/555800418.db2.gz BAZBODJJGOBTOF-QFIPXVFZSA-N 0 0 478.572 4.417 50 0 JIAARN CCCCCCN1CC(=O)N2[C@H](c3ccc(C(=O)OC)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000011692244 555801193 /nfs/dbraw/zinc/80/11/93/555801193.db2.gz KSEZDMIBYPOAGV-JYFHCDHNSA-N 0 0 473.573 4.220 50 0 biogenic JIAARN COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011696136 555803273 /nfs/dbraw/zinc/80/32/73/555803273.db2.gz LHKXHNZNVDVWEI-IBGZPJMESA-N 0 0 476.558 4.027 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)NC3CCCCCC3)c12 ZINC000011696110 555803292 /nfs/dbraw/zinc/80/32/92/555803292.db2.gz WGYDZXGPPDOGDL-FQEVSTJZSA-N 0 0 466.607 4.219 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(N(C)C)cc3)c12 ZINC000011696137 555803659 /nfs/dbraw/zinc/80/36/59/555803659.db2.gz PNNVXELISKBPIZ-OAQYLSRUSA-N 0 0 489.601 4.085 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)NC3CCCCCC3)c12 ZINC000011696213 555803818 /nfs/dbraw/zinc/80/38/18/555803818.db2.gz MUWQLNYJXDDTLT-QGZVFWFLSA-N 0 0 472.636 4.280 50 0 JIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CS(=O)(=O)C2 ZINC000011726325 555806274 /nfs/dbraw/zinc/80/62/74/555806274.db2.gz HDKXWVUKNDVFJO-UHFFFAOYSA-N 0 0 482.949 4.478 50 0 JIAARN CCn1c2ccc(F)cc2s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000011726400 555806511 /nfs/dbraw/zinc/80/65/11/555806511.db2.gz JNEPOXSIDWASOU-GWCIHTFMSA-N 0 0 461.584 4.166 50 0 JIAARN COc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCCc4ccccc43)cc1)n2C ZINC000011726375 555806576 /nfs/dbraw/zinc/80/65/76/555806576.db2.gz BSTMNWMFSMZDKE-OCEACIFDSA-N 0 0 493.610 4.131 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)S[C@H](C)C3)c(OC)c1 ZINC000011726592 555807326 /nfs/dbraw/zinc/80/73/26/555807326.db2.gz IWQBQERNXQIELA-OAHLLOKOSA-N 0 0 483.615 4.076 50 0 JIAARN CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751628 555808558 /nfs/dbraw/zinc/80/85/58/555808558.db2.gz BUBDXRKRGRUBLB-SFHVURJKSA-N 0 0 490.379 4.223 50 0 JIAARN CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751629 555808565 /nfs/dbraw/zinc/80/85/65/555808565.db2.gz BUBDXRKRGRUBLB-GOSISDBHSA-N 0 0 490.379 4.223 50 0 JIAARN O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)Nc1ccc(OC(F)(F)F)cc1 ZINC000011758537 555810876 /nfs/dbraw/zinc/81/08/76/555810876.db2.gz NRDHZSTZZIFYEE-UHFFFAOYSA-N 0 0 478.431 4.038 50 0 JIAARN COc1ccc([C@H](CC(=O)Nc2ccc3c(c2)OCCO3)N2Cc3ccccc3C2=O)cc1OC ZINC000020561249 555811896 /nfs/dbraw/zinc/81/18/96/555811896.db2.gz ATWNFFUHDVEKQP-NRFANRHFSA-N 0 0 474.513 4.201 50 0 JIAARN C[C@@H](c1ccon1)N(C)C(=O)C1CCN(c2cccc3c2C(=O)N(C2CCCCCC2)C3=O)CC1 ZINC000011782969 555814008 /nfs/dbraw/zinc/81/40/08/555814008.db2.gz SYWBTRPUIIUQSJ-SFHVURJKSA-N 0 0 478.593 4.429 50 0 JIAARN CC1CCN(S(=O)(=O)c2ccc3c(ccn3CCC(=O)NCc3ccccc3Cl)c2)CC1 ZINC000020562747 555814206 /nfs/dbraw/zinc/81/42/06/555814206.db2.gz WQUPSPZFNLODAJ-UHFFFAOYSA-N 0 0 474.026 4.422 50 0 JIAARN O=C(Nc1cc2ncn(C3CCCC3)c2c(C(=O)NCCCn2cccn2)c1)c1ccccc1 ZINC000011783153 555814212 /nfs/dbraw/zinc/81/42/12/555814212.db2.gz BJNBYRXZEOWMRQ-UHFFFAOYSA-N 0 0 456.550 4.420 50 0 JIAARN CCCCN(C(=O)c1ccc(C2SCCS2)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000014510108 555815860 /nfs/dbraw/zinc/81/58/60/555815860.db2.gz YJXOOUUESZUBTQ-UHFFFAOYSA-N 0 0 496.658 4.093 50 0 JIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)N[C@H](C)CCc1ccccc1)nc2C ZINC000020563861 555816033 /nfs/dbraw/zinc/81/60/33/555816033.db2.gz HDNKWXHOUWTQTB-HXUWFJFHSA-N 0 0 471.605 4.425 50 0 JIAARN Cn1c([C@H]2CCCO2)nc2cc(NC(=O)CC3CCCC3)cc(C(=O)NCC(F)(F)F)c21 ZINC000011784639 555816314 /nfs/dbraw/zinc/81/63/14/555816314.db2.gz ODOWDAGDYIPEAD-QGZVFWFLSA-N 0 0 452.477 4.236 50 0 JIAARN Cc1c2c(nn1-c1ccc(Cl)cc1)c(N1CCC[C@H](C(=O)NCCC(C)C)C1)nnc2C ZINC000020564621 555818641 /nfs/dbraw/zinc/81/86/41/555818641.db2.gz NPXLKPZHULEPFA-SFHVURJKSA-N 0 0 455.006 4.464 50 0 JIAARN CC(C)CC[C@@]1(C2CCN(C(=O)c3cccc(F)c3F)CC2)NC(=O)N(Cc2ccccn2)C1=O ZINC000011786921 555820193 /nfs/dbraw/zinc/82/01/93/555820193.db2.gz WOSASSZTJRCDNK-SANMLTNESA-N 0 0 484.547 4.139 50 0 JIAARN C[C@H](NC(=O)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000020568075 555821350 /nfs/dbraw/zinc/82/13/50/555821350.db2.gz NCIFRIUEOJQPQB-KRWDZBQOSA-N 0 0 485.993 4.236 50 0 JIAARN COc1cccc(OC[C@@H]2CCCN(C(=O)C3CCN(c4nc(C)c5ccccc5n4)CC3)C2)c1 ZINC000011788867 555823269 /nfs/dbraw/zinc/82/32/69/555823269.db2.gz NZXXOMQQJYQXHM-OAQYLSRUSA-N 0 0 474.605 4.481 50 0 JIAARN CCn1c(-c2cccnc2)nc2cc(NC(=O)COC)cc(C(=O)NCCc3ccccc3Cl)c21 ZINC000011789549 555824474 /nfs/dbraw/zinc/82/44/74/555824474.db2.gz AYEOGLHIANEGAM-UHFFFAOYSA-N 0 0 491.979 4.329 50 0 JIAARN Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020573532 555825348 /nfs/dbraw/zinc/82/53/48/555825348.db2.gz UATSWKHHMYBHPH-UHFFFAOYSA-N 0 0 468.553 4.283 50 0 JIAARN Cc1cccc(NC(=O)CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(F)cc3)C2=O)c1 ZINC000020574056 555827109 /nfs/dbraw/zinc/82/71/09/555827109.db2.gz VQFMYUWWNGZQAM-VWLOTQADSA-N 0 0 461.518 4.052 50 0 JIAARN CCc1ccc(NC(=O)CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccc(F)cc3)C2=O)cc1 ZINC000020574036 555827129 /nfs/dbraw/zinc/82/71/29/555827129.db2.gz INULRQMBUUBOAQ-AREMUKBSSA-N 0 0 475.545 4.306 50 0 JIAARN Cc1ccc(C)c(NC(=O)CN2c3ccccc3[C@]3(SCC(=O)N3c3cccc(F)c3)C2=O)c1 ZINC000020574014 555827137 /nfs/dbraw/zinc/82/71/37/555827137.db2.gz POVGWMXPNOVELF-SANMLTNESA-N 0 0 475.545 4.361 50 0 JIAARN CCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)C3CCCC3)CC2)[C@H]1OCc1cccnc1 ZINC000011791042 555827217 /nfs/dbraw/zinc/82/72/17/555827217.db2.gz BQGRCDYGNPXGAY-FTJBHMTQSA-N 0 0 461.606 4.298 50 0 JIAARN O=C(CN1C(=O)[C@]2(SCC(=O)N2c2ccc(F)cc2)c2ccccc21)Nc1cccc(Cl)c1 ZINC000020574061 555827357 /nfs/dbraw/zinc/82/73/57/555827357.db2.gz XITAHHHGNDMSMO-XMMPIXPASA-N 0 0 481.936 4.397 50 0 JIAARN COC(=O)c1c(NC(=O)c2ccco2)c2cc(N[C@@H](C)Cc3ccccc3F)cnc2n1C ZINC000014540960 555831089 /nfs/dbraw/zinc/83/10/89/555831089.db2.gz ZKXDKQXZQYEFNB-AWEZNQCLSA-N 0 0 450.470 4.387 50 0 JIAARN CCN(Cc1ccncc1)C(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C1CC1 ZINC000011841691 555834188 /nfs/dbraw/zinc/83/41/88/555834188.db2.gz XIXXJODXWZGQRK-UHFFFAOYSA-N 0 0 454.534 4.273 50 0 JIAARN COc1cccc(C[C@]2(CCC(=O)N3CCC[C@H](COc4cccc(C)c4)C3)CCC(=O)N2)c1 ZINC000011841935 555834469 /nfs/dbraw/zinc/83/44/69/555834469.db2.gz JLFVCNOBGFDYTA-NEKDWFFYSA-N 0 0 464.606 4.293 50 0 JIAARN Cn1c2ccc(Cl)cc2s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000011852314 555835545 /nfs/dbraw/zinc/83/55/45/555835545.db2.gz QFWNMSFLHFOZMN-WJTDDFOZSA-N 0 0 484.002 4.386 50 0 JIAARN COc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)n(C)c21 ZINC000011853040 555836050 /nfs/dbraw/zinc/83/60/50/555836050.db2.gz SZIOAFWFJLPEST-QPLCGJKRSA-N 0 0 493.610 4.131 50 0 JIAARN Cn1c(CN2CCN(C(=O)C3CCCCC3)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000020592127 555838711 /nfs/dbraw/zinc/83/87/11/555838711.db2.gz 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/nfs/dbraw/zinc/05/61/42/556056142.db2.gz IXLVIGAGDOYKRL-UHFFFAOYSA-N 0 0 466.632 4.490 50 0 JIAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccccc4Br)CC3)nn2)cc1 ZINC000015882374 556056193 /nfs/dbraw/zinc/05/61/93/556056193.db2.gz FKHRYZHZTSPFPW-UHFFFAOYSA-N 0 0 452.356 4.254 50 0 JIAARN O=C(C1CCCCC1)N1CCN(c2nc3nccc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 ZINC000023435841 556058117 /nfs/dbraw/zinc/05/81/17/556058117.db2.gz NRCZTTZROAGZAY-UHFFFAOYSA-N 0 0 458.488 4.039 50 0 JIAARN CCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1ccc(CC)cc1 ZINC000023440380 556059731 /nfs/dbraw/zinc/05/97/31/556059731.db2.gz GQFIIIAVGLZNDN-UHFFFAOYSA-N 0 0 459.637 4.322 50 0 JIAARN COc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccc(Br)cc1 ZINC000012564467 556060378 /nfs/dbraw/zinc/06/03/78/556060378.db2.gz IHENYDFHNQILBI-KRWDZBQOSA-N 0 0 495.171 4.487 50 0 JIAARN CC(=O)O[C@H](C(=O)N1CCN(c2nccc(-c3cccc(C(F)(F)F)c3)n2)CC1)c1ccccc1 ZINC000023443939 556061508 /nfs/dbraw/zinc/06/15/08/556061508.db2.gz MTCIKIADHARNMM-QFIPXVFZSA-N 0 0 484.478 4.115 50 0 JIAARN O=C(COC(=O)CCSc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000015912818 556065747 /nfs/dbraw/zinc/06/57/47/556065747.db2.gz HZMSNJUBPNYUAW-UHFFFAOYSA-N 0 0 497.038 4.179 50 0 JIAARN COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000015913066 556065821 /nfs/dbraw/zinc/06/58/21/556065821.db2.gz CGJKVLHBJDFMGJ-GOSISDBHSA-N 0 0 451.470 4.154 50 0 JIAARN O=S(=O)(c1ccc2c(c1)nc(SCc1ccccc1F)n2C[C@@H]1CCCO1)N1CCCC1 ZINC000023451742 556066316 /nfs/dbraw/zinc/06/63/16/556066316.db2.gz AQZDXDYBICSGBA-SFHVURJKSA-N 0 0 475.611 4.431 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000012567488 556066852 /nfs/dbraw/zinc/06/68/52/556066852.db2.gz VNKNPGXDOCLLHQ-UHFFFAOYSA-N 0 0 454.592 4.189 50 0 JIAARN Cc1nnc(SCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)n1Cc1ccccc1 ZINC000012567536 556066856 /nfs/dbraw/zinc/06/68/56/556066856.db2.gz VPGVQDFJUYPFLJ-UHFFFAOYSA-N 0 0 471.586 4.296 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1nc(SC)ncc1Cl)C[C@@H](C)CC2 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0 JIAARN CC(C)c1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1 ZINC000015945960 556082202 /nfs/dbraw/zinc/08/22/02/556082202.db2.gz KGBDSHHCCWCJEW-UHFFFAOYSA-N 0 0 466.559 4.415 50 0 JIAARN CN(C)[C@@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccco1 ZINC000012584865 556082368 /nfs/dbraw/zinc/08/23/68/556082368.db2.gz YBMPLZQHCGUAIS-IBGZPJMESA-N 0 0 482.389 4.420 50 0 JIAARN COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC(n3c4ccccc4[nH]c3=O)CC2)c1 ZINC000012585684 556083027 /nfs/dbraw/zinc/08/30/27/556083027.db2.gz WIDJWZOVYNPQEO-VWLOTQADSA-N 0 0 456.546 4.355 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000012586563 556083517 /nfs/dbraw/zinc/08/35/17/556083517.db2.gz ZSJFCGPUUCPYRZ-UHFFFAOYSA-N 0 0 469.651 4.063 50 0 JIAARN COc1cc(OC)c(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)cc1Cl ZINC000015949166 556086502 /nfs/dbraw/zinc/08/65/02/556086502.db2.gz SQCQAXAURXWMOH-UHFFFAOYSA-N 0 0 486.977 4.357 50 0 JIAARN CC(C)OCCCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@H]2c2cccc(Cl)c2)C1=O ZINC000015956153 556088396 /nfs/dbraw/zinc/08/83/96/556088396.db2.gz WUPCSJVEIOVOKZ-RCZVLFRGSA-N 0 0 465.981 4.321 50 0 biogenic JIAARN O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000023844991 556091155 /nfs/dbraw/zinc/09/11/55/556091155.db2.gz NRIRQPHZINPLAU-VOTSOKGWSA-N 0 0 453.926 4.021 50 0 JIAARN C[C@H](NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCC1=CCCCC1 ZINC000015970308 556096328 /nfs/dbraw/zinc/09/63/28/556096328.db2.gz DROJOGMMZLHURQ-YJIIWGRFSA-N 0 0 496.611 4.149 50 0 JIAARN CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc(O)c(OC)c2)sc2c1CC[C@H](C)C2 ZINC000012655765 556098725 /nfs/dbraw/zinc/09/87/25/556098725.db2.gz RTIVJWXLCYDCSI-QUZONKQVSA-N 0 0 487.574 4.347 50 0 JIAARN CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 ZINC000023900521 556099313 /nfs/dbraw/zinc/09/93/13/556099313.db2.gz ASBZXAWILOZUEG-QFIPXVFZSA-N 0 0 455.526 4.463 50 0 JIAARN 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CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)cc2)cc1 ZINC000023967625 556106989 /nfs/dbraw/zinc/10/69/89/556106989.db2.gz PURGCMGIPXDLON-RUZDIDTESA-N 0 0 479.602 4.015 50 0 JIAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016009848 556108550 /nfs/dbraw/zinc/10/85/50/556108550.db2.gz CBLIVWJSXAKKQY-UAKAABGRSA-N 0 0 470.356 4.041 50 0 JIAARN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023968452 556109016 /nfs/dbraw/zinc/10/90/16/556109016.db2.gz KSYAHIMDPBRRMT-UHFFFAOYSA-N 0 0 470.598 4.038 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1nc3cc(OC)c(OC)cc3c(=O)[nH]1)CC2 ZINC000023982599 556110091 /nfs/dbraw/zinc/11/00/91/556110091.db2.gz QAFUTDWBVNRSAN-HHHXNRCGSA-N 0 0 487.556 4.105 50 0 JIAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023983109 556110723 /nfs/dbraw/zinc/11/07/23/556110723.db2.gz CAZMVFPLNGLMRT-UHFFFAOYSA-N 0 0 460.607 4.457 50 0 JIAARN 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CCc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 ZINC000017045704 556210681 /nfs/dbraw/zinc/21/06/81/556210681.db2.gz CWUPAYXEUIJXNS-RRPNLBNLSA-N 0 0 466.585 4.111 50 0 JIAARN C[C@@H](O)Cn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000017049804 556211164 /nfs/dbraw/zinc/21/11/64/556211164.db2.gz LCQSXZLVEXIFOG-VXGBXAGGSA-N 0 0 496.814 4.313 50 0 JIAARN COc1ccccc1OCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)ccc1C ZINC000013021456 556211858 /nfs/dbraw/zinc/21/18/58/556211858.db2.gz ZANJHILZKDURTH-UHFFFAOYSA-N 0 0 489.597 4.298 50 0 JIAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c(C)c1 ZINC000013022350 556212215 /nfs/dbraw/zinc/21/22/15/556212215.db2.gz MEOOHRGENDQXLR-UHFFFAOYSA-N 0 0 483.565 4.262 50 0 JIAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000013022836 556212367 /nfs/dbraw/zinc/21/23/67/556212367.db2.gz DCRQFVZSJIJOJO-HNNXBMFYSA-N 0 0 452.926 4.319 50 0 JIAARN O=C(COC(=O)c1ccc(I)cc1)NC(c1ccccc1)c1ccccc1 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Nn1c(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)nnc1-c1ccc(Cl)cc1Cl ZINC000013037788 556232811 /nfs/dbraw/zinc/23/28/11/556232811.db2.gz OMXHPLKPAFWONP-UHFFFAOYSA-N 0 0 466.438 4.390 50 0 JIAARN COc1cc(OC)cc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC(=O)[C@@H]2NC(=O)c2ccccc2)c1 ZINC000013038473 556236330 /nfs/dbraw/zinc/23/63/30/556236330.db2.gz MJOYWRJBBDLPJQ-JWQCQUIFSA-N 0 0 482.540 4.081 50 0 JIAARN CC1=C2C(=NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2cccc(F)c2)N(c2ccc(C)cc2)N1 ZINC000013038491 556236743 /nfs/dbraw/zinc/23/67/43/556236743.db2.gz DODPQHGGCPUGBL-BJKOFHAPSA-N 0 0 454.505 4.254 50 0 JIAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1 ZINC000017191906 556237280 /nfs/dbraw/zinc/23/72/80/556237280.db2.gz JEHQVVMIIPGUES-UHFFFAOYSA-N 0 0 462.571 4.007 50 0 JIAARN O=C(Nc1ccc(Br)cc1)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000017200694 556239444 /nfs/dbraw/zinc/23/94/44/556239444.db2.gz AUUDYGROXWYABW-IBGZPJMESA-N 0 0 458.337 4.104 50 0 JIAARN 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COc1cccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc(-c4ccncc4)nn32)c1 ZINC000017243923 556245417 /nfs/dbraw/zinc/24/54/17/556245417.db2.gz APNYXTPDWUVRCX-HSZRJFAPSA-N 0 0 468.517 4.285 50 0 JIAARN CCN(CC(=O)Nc1ccc(C(=O)OC(C)C)cc1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000013041265 556246220 /nfs/dbraw/zinc/24/62/20/556246220.db2.gz LJPKAELADQRHRC-UHFFFAOYSA-N 0 0 466.365 4.458 50 0 JIAARN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(Oc3ccc4c(C)cc(=O)oc4c3)c2c1C ZINC000013041730 556247437 /nfs/dbraw/zinc/24/74/37/556247437.db2.gz BWTUUWNLFLIOJW-UHFFFAOYSA-N 0 0 495.557 4.216 50 0 JIAARN CCS(=O)(=O)N1CCC(C(=O)Nc2nc(COc3ccc(Cl)cc3Cl)cs2)CC1 ZINC000026132402 556250197 /nfs/dbraw/zinc/25/01/97/556250197.db2.gz FXGCTBPZLMFIRX-UHFFFAOYSA-N 0 0 478.423 4.029 50 0 JIAARN Cc1csc(=O)n1CCCC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 ZINC000026370269 556252817 /nfs/dbraw/zinc/25/28/17/556252817.db2.gz XVAMZTTWZRTJBT-UHFFFAOYSA-N 0 0 485.631 4.146 50 0 JIAARN C[C@H](NC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc(Cl)c1 ZINC000013058085 556253173 /nfs/dbraw/zinc/25/31/73/556253173.db2.gz CKRZJGZZIUZXAA-ZDUSSCGKSA-N 0 0 461.315 4.407 50 0 JIAARN CCOc1cc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)CC)CCC3)cc(OCC)c1OCC ZINC000017307144 556254698 /nfs/dbraw/zinc/25/46/98/556254698.db2.gz IVEDCTXIMMLQAF-UHFFFAOYSA-N 0 0 476.595 4.237 50 0 JIAARN CC(C)c1ccc([C@H](C)NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000013059672 556255404 /nfs/dbraw/zinc/25/54/04/556255404.db2.gz WXWBNOIUICGTND-NRFANRHFSA-N 0 0 471.667 4.117 50 0 JIAARN COc1cccc(NC(=O)CSc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccnn2C(C)C)c1 ZINC000013060031 556255928 /nfs/dbraw/zinc/25/59/28/556255928.db2.gz PQSSDUWYDAOERN-KRWDZBQOSA-N 0 0 496.589 4.387 50 0 JIAARN Cc1nc2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2n1-c1ccccc1 ZINC000026538525 556256410 /nfs/dbraw/zinc/25/64/10/556256410.db2.gz BSOCRQQZAKDQOB-UHFFFAOYSA-N 0 0 454.530 4.021 50 0 JIAARN C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)OCc1cn2cc(Cl)ccc2n1 ZINC000013062749 556257987 /nfs/dbraw/zinc/25/79/87/556257987.db2.gz 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CCN(CC(=O)NCc1ccc(F)cc1)Cn1nc(-c2cccc(Cl)c2)n(CC)c1=S ZINC000013072826 556271776 /nfs/dbraw/zinc/27/17/76/556271776.db2.gz RTOIRXYLAUZYOH-UHFFFAOYSA-N 0 0 461.994 4.489 50 0 JIAARN CCn1c(-c2cccc(C)c2)nn(CN2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1=S ZINC000013073625 556273768 /nfs/dbraw/zinc/27/37/68/556273768.db2.gz UQNBSIXWTVDBME-UHFFFAOYSA-N 0 0 499.706 4.299 50 0 JIAARN COc1ccc(CCOC(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 ZINC000013074545 556275211 /nfs/dbraw/zinc/27/52/11/556275211.db2.gz FAFUBIDBEYKBNL-UHFFFAOYSA-N 0 0 453.466 4.260 50 0 JIAARN COc1cc(C(=O)OCCOc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000013075096 556276505 /nfs/dbraw/zinc/27/65/05/556276505.db2.gz PHOGAJSWCYYPSD-UHFFFAOYSA-N 0 0 453.466 4.396 50 0 JIAARN Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)c1C ZINC000018042186 556279009 /nfs/dbraw/zinc/27/90/09/556279009.db2.gz VNPQQTCAXDXKKK-HXUWFJFHSA-N 0 0 479.602 4.054 50 0 JIAARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CCN(S(=O)(=O)c4ccccc4)CC3)ccc21 ZINC000013095241 556286940 /nfs/dbraw/zinc/28/69/40/556286940.db2.gz IFTMQCIYLGKYFE-FQEVSTJZSA-N 0 0 490.629 4.148 50 0 JIAARN CCCCn1c(CCC(=O)Nc2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000013095645 556288287 /nfs/dbraw/zinc/28/82/87/556288287.db2.gz ROWVTOSYIFHGFF-UHFFFAOYSA-N 0 0 472.586 4.331 50 0 JIAARN COc1ccccc1CNS(=O)(=O)c1cc(C(=O)NCCC(C)C)c(Cl)cc1Cl ZINC000013095682 556288304 /nfs/dbraw/zinc/28/83/04/556288304.db2.gz HEMHHYAQIMXQRN-UHFFFAOYSA-N 0 0 459.395 4.256 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN(CC(=O)Nc1c(C)cccc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013095733 556288359 /nfs/dbraw/zinc/28/83/59/556288359.db2.gz QETXRIRHUVZEES-UHFFFAOYSA-N 0 0 497.599 4.236 50 0 JIAARN O=C(Nn1c(=O)c2ccccc2nc1-c1ccncc1)c1cc(Br)ccc1Cl ZINC000027532158 556292517 /nfs/dbraw/zinc/29/25/17/556292517.db2.gz UPUPNPAONAYDIT-UHFFFAOYSA-N 0 0 455.699 4.258 50 0 JIAARN COc1ccc(-c2nc(CN3CCN(c4cc(C)nc(C(C)C)n4)CC3)cs2)cc1OC ZINC000027545446 556294595 /nfs/dbraw/zinc/29/45/95/556294595.db2.gz XFDBEGLSSNONSQ-UHFFFAOYSA-N 0 0 453.612 4.371 50 0 JIAARN O=C(CN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)Oc1ccc(Br)cc1 ZINC000018155730 556295560 /nfs/dbraw/zinc/29/55/60/556295560.db2.gz SJCYLWXKDQKPFT-ULBZPVTCSA-N 0 0 488.337 4.247 50 0 JIAARN Cc1ccc(-c2cc(NC(=O)COC(=O)[C@H](C)NC(=O)c3ccccc3)n(-c3ccccc3)n2)cc1 ZINC000013098156 556296830 /nfs/dbraw/zinc/29/68/30/556296830.db2.gz ZLUPZLHUQQBHKD-FQEVSTJZSA-N 0 0 482.540 4.148 50 0 JIAARN Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc(Br)cc4)CC3)ncn2)cc1 ZINC000027663621 556302701 /nfs/dbraw/zinc/30/27/01/556302701.db2.gz ZSMYJMPCVOOVMA-UHFFFAOYSA-N 0 0 452.356 4.254 50 0 JIAARN COc1ccc(-c2cc(C(=O)N(Cc3cccc4ccccc43)[C@@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000027663941 556303083 /nfs/dbraw/zinc/30/30/83/556303083.db2.gz WXBSRSUXQSBYJQ-OAQYLSRUSA-N 0 0 476.554 4.333 50 0 JIAARN CCCOc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)cc1OCC ZINC000027749215 556305629 /nfs/dbraw/zinc/30/56/29/556305629.db2.gz SANHGKVKYQCWNZ-VWLOTQADSA-N 0 0 465.550 4.206 50 0 JIAARN COc1ccc2cc([C@H](C)C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)ccc2c1 ZINC000013108492 556305849 /nfs/dbraw/zinc/30/58/49/556305849.db2.gz DCOKLQBBOIMIOD-HNNXBMFYSA-N 0 0 479.023 4.200 50 0 JIAARN O=C(CSCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1 ZINC000018199841 556307345 /nfs/dbraw/zinc/30/73/45/556307345.db2.gz MDSDDMHVANVNCJ-UHFFFAOYSA-N 0 0 489.018 4.373 50 0 JIAARN CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(-n3cnnn3)cc2)cc1 ZINC000027793446 556307429 /nfs/dbraw/zinc/30/74/29/556307429.db2.gz NIORJUNNWCJNEB-UHFFFAOYSA-N 0 0 483.484 4.056 50 0 JIAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 ZINC000027793856 556307478 /nfs/dbraw/zinc/30/74/78/556307478.db2.gz DIJLEQHRWYKDAI-GOSISDBHSA-N 0 0 453.539 4.497 50 0 JIAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)CSc3nnc(C4CC4)n3C)cc2)cc1 ZINC000013109771 556309695 /nfs/dbraw/zinc/30/96/95/556309695.db2.gz HENRUGMQAZZTGV-UHFFFAOYSA-N 0 0 451.552 4.074 50 0 JIAARN COc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCOCC2)cc1 ZINC000027989808 556311696 /nfs/dbraw/zinc/31/16/96/556311696.db2.gz HNASKLLKSAWSOE-VWLOTQADSA-N 0 0 461.562 4.032 50 0 JIAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cs1 ZINC000018235599 556313904 /nfs/dbraw/zinc/31/39/04/556313904.db2.gz ZVTMFJYWECUZPF-UHFFFAOYSA-N 0 0 473.645 4.170 50 0 JIAARN COc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCCCCC1 ZINC000018255362 556317146 /nfs/dbraw/zinc/31/71/46/556317146.db2.gz HZAHPKOXHJKNAX-NRFANRHFSA-N 0 0 482.606 4.114 50 0 JIAARN CCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(Cc5ccc(F)cc5)cc4)CC3)C2=O)cc1 ZINC000018265603 556317457 /nfs/dbraw/zinc/31/74/57/556317457.db2.gz DBNNQOUEMKQMBA-HHHXNRCGSA-N 0 0 487.575 4.269 50 0 JIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000013113359 556317889 /nfs/dbraw/zinc/31/78/89/556317889.db2.gz HPLOZHACTKKEIK-KRWDZBQOSA-N 0 0 473.558 4.442 50 0 JIAARN C[C@H](Sc1nnc([C@H](C)N2CCCCC2)n1-c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000018437992 556321489 /nfs/dbraw/zinc/32/14/89/556321489.db2.gz JEHUQORBUWLOHG-OALUTQOASA-N 0 0 490.633 4.280 50 0 JIAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC)Cc3ccc(Cl)s3)CC2)cc1 ZINC000018831220 556324564 /nfs/dbraw/zinc/32/45/64/556324564.db2.gz QDVGKAOLXXSVMK-UHFFFAOYSA-N 0 0 499.054 4.028 50 0 JIAARN CC[C@H](Oc1ccccc1F)C(=O)N(Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000028228615 556325955 /nfs/dbraw/zinc/32/59/55/556325955.db2.gz FGBGQSFPKSTLTN-OFNKIYASSA-N 0 0 455.551 4.352 50 0 JIAARN CC[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000028228626 556325967 /nfs/dbraw/zinc/32/59/67/556325967.db2.gz MLCQHUMSWHLAFQ-ZJSXRUAMSA-N 0 0 455.551 4.352 50 0 JIAARN Cc1cc(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C)n(-c2ccccc2)n1 ZINC000013120839 556334451 /nfs/dbraw/zinc/33/44/51/556334451.db2.gz OTEVLQHTMQGYSH-UHFFFAOYSA-N 0 0 468.970 4.272 50 0 JIAARN Cc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1 ZINC000028632580 556338772 /nfs/dbraw/zinc/33/87/72/556338772.db2.gz PHELKAPRLUZQLO-QXHVWWCLSA-N 0 0 465.578 4.182 50 0 JIAARN C[C@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000019298678 556338816 /nfs/dbraw/zinc/33/88/16/556338816.db2.gz ROCFVMDHGGZAFU-AWEZNQCLSA-N 0 0 483.981 4.215 50 0 JIAARN COc1ccccc1[C@@H]1c2c(C)nn(-c3ccccc3)c2NC(=O)[C@H]1NC(=O)c1ccccc1 ZINC000013123247 556339460 /nfs/dbraw/zinc/33/94/60/556339460.db2.gz RJBCZQQZWFPJEV-RPWUZVMVSA-N 0 0 452.514 4.072 50 0 JIAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000013123474 556339834 /nfs/dbraw/zinc/33/98/34/556339834.db2.gz YAMAWEHHRSSRNW-YOEHRIQHSA-N 0 0 452.506 4.227 50 0 JIAARN COc1cc(C(=O)OCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc(OC)c1OC ZINC000019312730 556339902 /nfs/dbraw/zinc/33/99/02/556339902.db2.gz BHNFJQZZTKJBTA-UHFFFAOYSA-N 0 0 459.514 4.370 50 0 JIAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2C(F)(F)F)c(OC)c1 ZINC000013124614 556340609 /nfs/dbraw/zinc/34/06/09/556340609.db2.gz WHULWISFWJGIMZ-LJQANCHMSA-N 0 0 459.428 4.242 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)c1 ZINC000028835038 556342385 /nfs/dbraw/zinc/34/23/85/556342385.db2.gz SBFAWDBMECDQOW-UHFFFAOYSA-N 0 0 463.556 4.246 50 0 JIAARN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)n2)cc1 ZINC000028841903 556342424 /nfs/dbraw/zinc/34/24/24/556342424.db2.gz XLZWNYLGRYSYOS-UHFFFAOYSA-N 0 0 479.587 4.108 50 0 JIAARN CCOC(=O)Cc1csc(NC(=O)CSc2nc(C)nc3sc4c(c32)CCCC4)n1 ZINC000028850311 556342911 /nfs/dbraw/zinc/34/29/11/556342911.db2.gz DSDXJEKWZPQXEK-UHFFFAOYSA-N 0 0 462.622 4.171 50 0 JIAARN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000028924153 556344228 /nfs/dbraw/zinc/34/42/28/556344228.db2.gz GLZOODPVZJUCBW-NRFANRHFSA-N 0 0 454.324 4.046 50 0 JIAARN S=c1oc(-c2ccccc2)nn1CN1CCN(Cn2nc(-c3ccccc3)oc2=S)CC1 ZINC000019367073 556346082 /nfs/dbraw/zinc/34/60/82/556346082.db2.gz HBAPQLWHQNQERP-UHFFFAOYSA-N 0 0 466.592 4.291 50 0 JIAARN COc1cccc(C(=O)N2CCN(C(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000029112060 556346894 /nfs/dbraw/zinc/34/68/94/556346894.db2.gz YMQOFBGRCKKCIR-UHFFFAOYSA-N 0 0 462.933 4.178 50 0 JIAARN Cc1nn(C)c(C)c1CCC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000029657367 556354692 /nfs/dbraw/zinc/35/46/92/556354692.db2.gz PYNWXGJCGBCIAX-UHFFFAOYSA-N 0 0 452.549 4.182 50 0 JIAARN CCCCn1c(SCC(=O)OCC)nc2c(sc(=S)n2-c2ccccc2OC)c1=O ZINC000013130906 556356499 /nfs/dbraw/zinc/35/64/99/556356499.db2.gz IBZFVIYNODKEDQ-UHFFFAOYSA-N 0 0 465.622 4.442 50 0 JIAARN CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(C(=O)c2cnn3c2nc(C)cc3C)CC1 ZINC000029794198 556357699 /nfs/dbraw/zinc/35/76/99/556357699.db2.gz ISAWGZPCYXZYGE-OAQYLSRUSA-N 0 0 452.530 4.074 50 0 JIAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 ZINC000029797975 556357990 /nfs/dbraw/zinc/35/79/90/556357990.db2.gz FNYMYFJLVGYBCT-MRXNPFEDSA-N 0 0 469.636 4.118 50 0 JIAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000030590628 556368259 /nfs/dbraw/zinc/36/82/59/556368259.db2.gz OYWFUVUICQCCFI-HNNXBMFYSA-N 0 0 460.365 4.188 50 0 JIAARN COc1cccc(C(=O)N2CCN(C(=O)c3ccc(SCc4cn5ccccc5n4)cc3)CC2)c1 ZINC000030707015 556370310 /nfs/dbraw/zinc/37/03/10/556370310.db2.gz BJZRLJYLUSKYIC-UHFFFAOYSA-N 0 0 486.597 4.233 50 0 JIAARN COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(NC(C)=O)cc3)n3c4ccccc4nc32)cc1 ZINC000019817724 556384072 /nfs/dbraw/zinc/38/40/72/556384072.db2.gz LQDMWPUSZDWLMU-DEOSSOPVSA-N 0 0 483.528 4.120 50 0 JIAARN CC(C)n1ncc2c1nc(-c1ccc3c(c1)OCCO3)cc2C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000030870012 556384752 /nfs/dbraw/zinc/38/47/52/556384752.db2.gz OBIBJJSMDDBGIK-UHFFFAOYSA-N 0 0 490.589 4.147 50 0 JIAARN O=C1c2ccccc2/C(=C\NC[C@@H](c2ccco2)N2CCOCC2)C(=O)N1c1cccc(Cl)c1 ZINC000019820057 556388824 /nfs/dbraw/zinc/38/88/24/556388824.db2.gz NGOSBRJZZRHDMW-GTRUEHEQSA-N 0 0 477.948 4.124 50 0 JIAARN O=C(Nc1ccc(-c2cc[nH]n2)cc1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000031561536 556399452 /nfs/dbraw/zinc/39/94/52/556399452.db2.gz VRNXWIQXUXQSLO-UHFFFAOYSA-N 0 0 478.496 4.135 50 0 JIAARN CCc1ccc(-c2noc(CCC(=O)NCC[C@](O)(c3ccc(C)o3)C(F)(F)F)n2)cc1 ZINC000031571282 556399468 /nfs/dbraw/zinc/39/94/68/556399468.db2.gz GGQFMYJLYGXITD-NRFANRHFSA-N 0 0 451.445 4.089 50 0 JIAARN CC(=O)c1ccc(N2CCN(Cn3nc(-c4ccccc4)c4ccccc4c3=O)CC2)c(F)c1 ZINC000031732695 556402317 /nfs/dbraw/zinc/40/23/17/556402317.db2.gz COWOANOSPSQKFK-UHFFFAOYSA-N 0 0 456.521 4.185 50 0 JIAARN COc1ccccc1-n1cnn(CN2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1=S ZINC000031784245 556404282 /nfs/dbraw/zinc/40/42/82/556404282.db2.gz HCKQOTOBZICOGV-LJQANCHMSA-N 0 0 491.621 4.107 50 0 JIAARN Cn1cnnc1-c1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 ZINC000031808280 556405622 /nfs/dbraw/zinc/40/56/22/556405622.db2.gz JBLUGCYFWJRJJL-NRFANRHFSA-N 0 0 470.558 4.005 50 0 JIAARN COc1ccc(OC)c([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCCCC2)c1 ZINC000032623116 556453090 /nfs/dbraw/zinc/45/30/90/556453090.db2.gz LLFFXCUIBZJPDT-QFIPXVFZSA-N 0 0 493.560 4.087 50 0 JIAARN CC(=O)c1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccc(Cl)cc3)ncc2Cl)c(C)c1 ZINC000032623425 556453375 /nfs/dbraw/zinc/45/33/75/556453375.db2.gz BFBCLIFSDWJQQP-UHFFFAOYSA-N 0 0 479.341 4.488 50 0 JIAARN O=C1CSc2sc3c(ncn(C[C@H](c4ccc(Cl)cc4)N4CCCCC4)c3=O)c2N1 ZINC000032624530 556454561 /nfs/dbraw/zinc/45/45/61/556454561.db2.gz LPSNMJLOERPWGT-OAHLLOKOSA-N 0 0 461.012 4.383 50 0 JIAARN CN(C(=O)c1ccccc1C(=O)OCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000032670084 556467666 /nfs/dbraw/zinc/46/76/66/556467666.db2.gz RPDOWPHBDXOTJN-UHFFFAOYSA-N 0 0 456.498 4.196 50 0 JIAARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000032718910 556473661 /nfs/dbraw/zinc/47/36/61/556473661.db2.gz MLGJMTHGAGYBPQ-FCHUYYIVSA-N 0 0 464.562 4.120 50 0 JIAARN CCOc1cc(C(=O)N(Cc2ccccc2)c2ccc(C)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000032731094 556477072 /nfs/dbraw/zinc/47/70/72/556477072.db2.gz NVXQSDHJYIPCHQ-UHFFFAOYSA-N 0 0 488.584 4.478 50 0 JIAARN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(C)s1 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Cc1ccc(-c2nc3sc(N4CCN(C(=O)NC(C)C)CC4)nn3c2NC2CCCC2)cc1 ZINC000064450961 569617525 /nfs/dbraw/zinc/61/75/25/569617525.db2.gz UVVIFHJUULKVRZ-UHFFFAOYSA-N 0 0 467.643 4.361 50 0 JIAARN CCOc1ccccc1C(=O)Nc1ccccc1SCc1cc(=O)n2c(ncn2C(C)C)n1 ZINC000033014372 569618063 /nfs/dbraw/zinc/61/80/63/569618063.db2.gz VINAACVAPSLCPF-UHFFFAOYSA-N 0 0 463.563 4.415 50 0 JIAARN CCc1ccc(OCC(=O)Nc2ccccc2SCc2cc(=O)n3c(ncn3C(C)C)n2)cc1 ZINC000033014337 569618130 /nfs/dbraw/zinc/61/81/30/569618130.db2.gz JHVRFUKPMOLFRL-UHFFFAOYSA-N 0 0 477.590 4.344 50 0 JIAARN COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccs2)cc1 ZINC000064558492 569618802 /nfs/dbraw/zinc/61/88/02/569618802.db2.gz GUENXDSWYDUOFD-FQEVSTJZSA-N 0 0 483.567 4.170 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([C@@H](C)C(=O)NCc3ccc(OCC)cc3)CC2)c1C ZINC000033024236 569619772 /nfs/dbraw/zinc/61/97/72/569619772.db2.gz GJYAAUYUEKQMGP-QGZVFWFLSA-N 0 0 483.609 4.012 50 0 JIAARN 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AXMIVMMVFWTBNE-PPFHAMGKSA-N 0 0 485.334 4.123 50 0 JIAARN COc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1F ZINC000067292583 569686098 /nfs/dbraw/zinc/68/60/98/569686098.db2.gz BPYUBQGEVIDQKQ-DAAIQYDRSA-N 0 0 475.314 4.484 50 0 JIAARN Cc1nc(-c2ccccc2)n(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)c1CCO ZINC000067300204 569686412 /nfs/dbraw/zinc/68/64/12/569686412.db2.gz ZWVLGLQVAKENDE-UHFFFAOYSA-N 0 0 465.859 4.064 50 0 JIAARN Cc1ccc(C)c(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(C(F)(F)F)cc2)c1 ZINC000067301304 569686632 /nfs/dbraw/zinc/68/66/32/569686632.db2.gz DRNWWUSQHBDZJF-UHFFFAOYSA-N 0 0 459.468 4.028 50 0 JIAARN CCOc1ccccc1NC(=O)Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21 ZINC000067318091 569686847 /nfs/dbraw/zinc/68/68/47/569686847.db2.gz JQUILYFFAMOAHA-UHFFFAOYSA-N 0 0 467.485 4.151 50 0 JIAARN O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)NCc1ccc(F)c(Cl)c1 ZINC000067318712 569687112 /nfs/dbraw/zinc/68/71/12/569687112.db2.gz ZWOQQBXRSZSMNX-UHFFFAOYSA-N 0 0 489.894 4.222 50 0 JIAARN 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COc1cc(Cl)c(OC)c(N2CN=C3S[C@H](CC(=O)Nc4ccc(C)cc4C)C(=O)N3C2)c1 ZINC000072333005 569703159 /nfs/dbraw/zinc/70/31/59/569703159.db2.gz FWMOQRVNAQRABM-LJQANCHMSA-N 0 0 488.997 4.038 50 0 JIAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)cs3)CC2)c1C ZINC000035558042 569703477 /nfs/dbraw/zinc/70/34/77/569703477.db2.gz HDUJMJSCLRIGTE-UHFFFAOYSA-N 0 0 486.619 4.332 50 0 JIAARN COc1ccc2cc(/C=C3\SC(=O)N=C3Nc3cc(OC)cc(OC)c3)c(=O)n(C)c2c1 ZINC000072400764 569703645 /nfs/dbraw/zinc/70/36/45/569703645.db2.gz KKULDKYCFVXVKV-ZBKNUEDVSA-N 0 0 451.504 4.283 50 0 JIAARN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@H](c1ccc(OC(=O)Cc3ccccc3)cc1)CC(=O)N2 ZINC000072404888 569703880 /nfs/dbraw/zinc/70/38/80/569703880.db2.gz HPLXFNLEYXUIPV-LJQANCHMSA-N 0 0 479.500 4.119 50 0 JIAARN O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1)N1CCCCC1 ZINC000035559697 569703899 /nfs/dbraw/zinc/70/38/99/569703899.db2.gz MECCNFLZPVMSCS-OAQYLSRUSA-N 0 0 477.424 4.140 50 0 JIAARN O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1)NC1CCCC1 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Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3C)c2)ccc1=O ZINC000085652064 569713882 /nfs/dbraw/zinc/71/38/82/569713882.db2.gz ZAHBOCWONNWXHS-UHFFFAOYSA-N 0 0 468.510 4.061 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)S(=O)(=O)c2cccc(Cl)c2)c1C ZINC000085712533 569715183 /nfs/dbraw/zinc/71/51/83/569715183.db2.gz UKKFYIDNDRRBMR-UHFFFAOYSA-N 0 0 450.944 4.446 50 0 JIAARN COc1cc(OC)cc(-c2nnc(SCC(=O)NCc3ccccc3)n2-c2ccccc2)c1 ZINC000035847661 569715988 /nfs/dbraw/zinc/71/59/88/569715988.db2.gz YWEJZUMBUMYUPF-UHFFFAOYSA-N 0 0 460.559 4.360 50 0 JIAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)c(Cl)c1)NC[C@H]1CCCO1 ZINC000035848311 569716052 /nfs/dbraw/zinc/71/60/52/569716052.db2.gz NVHKEHSPLFHYQC-CYBMUJFWSA-N 0 0 453.351 4.221 50 0 JIAARN CCOC(=O)CCC(=O)N1CCN(c2nc([C@@H](C)CC)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000035865659 569717237 /nfs/dbraw/zinc/71/72/37/569717237.db2.gz RFSVMBZCPINBNU-IRXDYDNUSA-N 0 0 472.655 4.322 50 0 JIAARN CCCCc1nc2sc3c(c2c(N2CCN(S(=O)(=O)CCCC)CC2)n1)CC[C@H](C)C3 ZINC000035867962 569717887 /nfs/dbraw/zinc/71/78/87/569717887.db2.gz VZTHVENXDOETPT-KRWDZBQOSA-N 0 0 464.701 4.411 50 0 JIAARN COc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)NCc2ccccc2Cl)cc1 ZINC000089438756 569718400 /nfs/dbraw/zinc/71/84/00/569718400.db2.gz QLRZGUYUSZVSMT-UHFFFAOYSA-N 0 0 452.894 4.074 50 0 JIAARN COc1cccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCC4CC4)[C@@H]3C2)c1 ZINC000035871411 569718772 /nfs/dbraw/zinc/71/87/72/569718772.db2.gz WZCNEZBZGYFUKW-GMAHTHKFSA-N 0 0 459.512 4.108 50 0 JIAARN CSc1ccccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000089496613 569718845 /nfs/dbraw/zinc/71/88/45/569718845.db2.gz UAYXUNGRTZMCCQ-UHFFFAOYSA-N 0 0 497.038 4.422 50 0 JIAARN COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@H](C(=O)NCc3ccncc3)[C@@H]2C1 ZINC000035871592 569718902 /nfs/dbraw/zinc/71/89/02/569718902.db2.gz UFOZFABJOLXNHH-URXFXBBRSA-N 0 0 496.533 4.293 50 0 JIAARN O=C(Nc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cnccn3)C[C@H]12 ZINC000035871610 569718903 /nfs/dbraw/zinc/71/89/03/569718903.db2.gz PJQGCYRFCKMGTC-TZIWHRDSSA-N 0 0 453.468 4.002 50 0 JIAARN Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4c(C)c(C)c(C)c(C)c4C)CC3)c2cc1C ZINC000089608939 569719005 /nfs/dbraw/zinc/71/90/05/569719005.db2.gz HIMJJCCNFMIYBF-UHFFFAOYSA-N 0 0 482.646 4.458 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)c1 ZINC000089614346 569719102 /nfs/dbraw/zinc/71/91/02/569719102.db2.gz QUORZTWVAWQKES-QFIPXVFZSA-N 0 0 477.630 4.304 50 0 JIAARN CC[C@H]1Oc2ccc(NC(=O)Cc3cccs3)cc2CN(Cc2ccc3c(c2)OCO3)C1=O ZINC000035883387 569720031 /nfs/dbraw/zinc/72/00/31/569720031.db2.gz NLKGYJUBQNQHNM-HXUWFJFHSA-N 0 0 464.543 4.358 50 0 JIAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000089942370 569720598 /nfs/dbraw/zinc/72/05/98/569720598.db2.gz LDARTXSUJBKZNX-QZTJIDSGSA-N 0 0 464.031 4.187 50 0 JIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000089955499 569720615 /nfs/dbraw/zinc/72/06/15/569720615.db2.gz ZWOXWHJEOSMLHP-JXFKEZNVSA-N 0 0 486.663 4.158 50 0 JIAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)CC1=O ZINC000090590615 569720961 /nfs/dbraw/zinc/72/09/61/569720961.db2.gz CASQLPGHZIVMRM-QGZVFWFLSA-N 0 0 495.967 4.122 50 0 JIAARN Cc1cccc(Cc2c(C)nc(C)nc2N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 ZINC000035888196 569721185 /nfs/dbraw/zinc/72/11/85/569721185.db2.gz IPDORLPWOHBIKM-UHFFFAOYSA-N 0 0 478.662 4.429 50 0 JIAARN COc1cccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC(F)(F)F)cc5)no4)ccn3n2)c1 ZINC000095541295 569726563 /nfs/dbraw/zinc/72/65/63/569726563.db2.gz YTGFLEGKMUYUHK-UHFFFAOYSA-N 0 0 483.406 4.169 50 0 JIAARN Cc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(C(C)C)cc5)nn4ccn3c2=O)cc1F ZINC000095544287 569726664 /nfs/dbraw/zinc/72/66/64/569726664.db2.gz SZLAMYAREIGLEC-UHFFFAOYSA-N 0 0 458.497 4.020 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccco4)n3c2=O)nn1-c1cccc(Cl)c1 ZINC000035911692 569726819 /nfs/dbraw/zinc/72/68/19/569726819.db2.gz SXPZXKMDJPWTKV-UHFFFAOYSA-N 0 0 493.976 4.331 50 0 JIAARN O=C(Cc1ccc(F)cc1)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)CCc1ccccc1 ZINC000095545942 569727076 /nfs/dbraw/zinc/72/70/76/569727076.db2.gz VADJHBCDFSTCLK-UHFFFAOYSA-N 0 0 473.504 4.461 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NC(C)C)n3c2=O)nn1-c1cc(Cl)ccc1C ZINC000035911978 569727122 /nfs/dbraw/zinc/72/71/22/569727122.db2.gz JLBXMYVCGOPMGZ-UHFFFAOYSA-N 0 0 469.998 4.254 50 0 JIAARN COc1ccccc1C(=O)N1CCN(c2nc(CC(C)C)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000035912674 569727636 /nfs/dbraw/zinc/72/76/36/569727636.db2.gz QZIKIQGBEBBFAK-UHFFFAOYSA-N 0 0 484.604 4.293 50 0 JIAARN Cc1cccc(C(=O)N2CCc3nc(N4CCN(c5ccccc5)CC4)nc(N4CCCCC4)c3C2)c1 ZINC000095551131 569727665 /nfs/dbraw/zinc/72/76/65/569727665.db2.gz YKCPPOHEVVLDHG-UHFFFAOYSA-N 0 0 496.659 4.300 50 0 JIAARN CCOC(=O)[C@H](C)Oc1cccn2c(=O)c(-c3cc(C)n(-c4cccc(Cl)c4)n3)c(C)nc12 ZINC000035924608 569728064 /nfs/dbraw/zinc/72/80/64/569728064.db2.gz HNLIIIQVMICMJI-INIZCTEOSA-N 0 0 466.925 4.148 50 0 JIAARN CCc1cccc(C)c1NC(=O)Cn1nc2c3cc(-c4ccc(C(C)C)cc4)nn3ccn2c1=O ZINC000095609165 569728120 /nfs/dbraw/zinc/72/81/20/569728120.db2.gz DKIYKZDAYUNKCZ-UHFFFAOYSA-N 0 0 468.561 4.444 50 0 JIAARN CCN1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccnc3)n2Cc2ccccc2)CC1 ZINC000095925491 569730156 /nfs/dbraw/zinc/73/01/56/569730156.db2.gz GFMMFVKWHXVQJD-UHFFFAOYSA-N 0 0 498.656 4.458 50 0 JIAARN COc1ccccc1-n1c(SCc2ccccc2C(=O)N2CCOCC2)nnc1-c1cccnc1 ZINC000095925517 569730276 /nfs/dbraw/zinc/73/02/76/569730276.db2.gz IIEAEIGKTNXRDY-UHFFFAOYSA-N 0 0 487.585 4.103 50 0 JIAARN COc1ccccc1-n1c(SCc2cccc(C(=O)N3CCOCC3)c2)nnc1-c1cccnc1 ZINC000095925566 569730282 /nfs/dbraw/zinc/73/02/82/569730282.db2.gz DGINOKQGWHJOOR-UHFFFAOYSA-N 0 0 487.585 4.103 50 0 JIAARN CCN1CCN(C(=O)c2ccc(Cn3c(C)c(C)s/c3=N\C(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000095927250 569730433 /nfs/dbraw/zinc/73/04/33/569730433.db2.gz PWIARHPEYNZYDB-SGEDCAFJSA-N 0 0 497.064 4.387 50 0 JIAARN COc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c(OC)c1 ZINC000095945227 569730840 /nfs/dbraw/zinc/73/08/40/569730840.db2.gz AHEKBRFOEDXBDU-LJQANCHMSA-N 0 0 466.490 4.314 50 0 JIAARN COc1ccc(-c2nc(NCc3cccnc3)nc3nn(-c4ccc(OC)cc4)c(N)c32)cc1 ZINC000035929249 569731427 /nfs/dbraw/zinc/73/14/27/569731427.db2.gz CIFZVCGRCZVVBV-UHFFFAOYSA-N 0 0 453.506 4.089 50 0 JIAARN COC(=O)CN[C@@H](c1ccccc1)c1cc(C)ccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000035945876 569733037 /nfs/dbraw/zinc/73/30/37/569733037.db2.gz KBHAPPIEQCECJB-VWLOTQADSA-N 0 0 478.545 4.125 50 0 JIAARN COc1cccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2cc3c(c(OC)c2)OCO3)c1 ZINC000096113975 569733129 /nfs/dbraw/zinc/73/31/29/569733129.db2.gz GUWDSXWCQTUUBL-PXDATVDWSA-N 0 0 487.464 4.071 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(C)cc1)C(=O)C1CCCC1 ZINC000035946533 569733768 /nfs/dbraw/zinc/73/37/68/569733768.db2.gz AXEAVHGKMWJIPW-QFIPXVFZSA-N 0 0 453.608 4.399 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccccc2F)cc1 ZINC000035946770 569733965 /nfs/dbraw/zinc/73/39/65/569733965.db2.gz PSOGOJNVSRBDEH-OAQYLSRUSA-N 0 0 451.523 4.346 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)cc1 ZINC000035947011 569734083 /nfs/dbraw/zinc/73/40/83/569734083.db2.gz WGEDWISMBTWLAX-DEOSSOPVSA-N 0 0 463.484 4.423 50 0 JIAARN COC(=O)c1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096115013 569734116 /nfs/dbraw/zinc/73/41/16/569734116.db2.gz IIVVGLKDNKYNLO-QGZVFWFLSA-N 0 0 458.422 4.099 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1F)C(=O)NC(C)(C)C ZINC000035947251 569734359 /nfs/dbraw/zinc/73/43/59/569734359.db2.gz GGVTXWRSDWLXAI-IBGZPJMESA-N 0 0 460.575 4.021 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000035947677 569734627 /nfs/dbraw/zinc/73/46/27/569734627.db2.gz SICSZJYNHUURJW-QHCPKHFHSA-N 0 0 479.577 4.039 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000035947671 569734685 /nfs/dbraw/zinc/73/46/85/569734685.db2.gz IMLDDIFTRJSLTM-QFIPXVFZSA-N 0 0 481.593 4.285 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000035947752 569734757 /nfs/dbraw/zinc/73/47/57/569734757.db2.gz WSVIFQRWPVZRDK-AREMUKBSSA-N 0 0 489.547 4.301 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000035947807 569734767 /nfs/dbraw/zinc/73/47/67/569734767.db2.gz NCNQCFYQIMMKIE-VWLOTQADSA-N 0 0 499.567 4.491 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@H](c3ccccc3OC)C2)cc1 ZINC000035947723 569734780 /nfs/dbraw/zinc/73/47/80/569734780.db2.gz JQAJAJOYIGBKIU-QFIPXVFZSA-N 0 0 451.567 4.276 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000035947842 569734994 /nfs/dbraw/zinc/73/49/94/569734994.db2.gz JQSBDHVSAJEMBX-HSZRJFAPSA-N 0 0 489.503 4.013 50 0 JIAARN COc1cccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000096116065 569735119 /nfs/dbraw/zinc/73/51/19/569735119.db2.gz UUSUSPDEXDRTRH-URXFXBBRSA-N 0 0 457.438 4.062 50 0 biogenic JIAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)c2cccs2)cc1OC ZINC000035948398 569735356 /nfs/dbraw/zinc/73/53/56/569735356.db2.gz BOTMVOLFTCPRIV-QGZVFWFLSA-N 0 0 469.588 4.277 50 0 JIAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)cc1OC ZINC000035948407 569735367 /nfs/dbraw/zinc/73/53/67/569735367.db2.gz SFPGVTHSSINBKA-FQEVSTJZSA-N 0 0 481.549 4.354 50 0 JIAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc(OCc3cccnc3)c2)CCO1 ZINC000096118380 569736120 /nfs/dbraw/zinc/73/61/20/569736120.db2.gz XWLBVPUCOICEHP-XMSQKQJNSA-N 0 0 480.590 4.468 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@@H](c3ccccc3F)C2)c(OC)c1 ZINC000035961011 569736796 /nfs/dbraw/zinc/73/67/96/569736796.db2.gz IMSKDFVOIKBLKJ-JOCHJYFZSA-N 0 0 469.557 4.415 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccc(F)c3)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000035961132 569736845 /nfs/dbraw/zinc/73/68/45/569736845.db2.gz PPXIHKJJHWISKC-DEOSSOPVSA-N 0 0 475.520 4.293 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)c3cccs3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000035962283 569737628 /nfs/dbraw/zinc/73/76/28/569737628.db2.gz MUXCHHRYQPQDFH-OAQYLSRUSA-N 0 0 451.523 4.346 50 0 JIAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)c1 ZINC000035962750 569737725 /nfs/dbraw/zinc/73/77/25/569737725.db2.gz LBOXMWDBKXMWJH-XMMPIXPASA-N 0 0 493.510 4.432 50 0 JIAARN CC[C@@H](C)N(Cc1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)C(=O)C1CC1 ZINC000096203929 569737912 /nfs/dbraw/zinc/73/79/12/569737912.db2.gz YUHLZHLOINKXEX-QGZVFWFLSA-N 0 0 459.612 4.099 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@@H](c3cc(OC)ccc3OC)C2)c1 ZINC000035963857 569738193 /nfs/dbraw/zinc/73/81/93/569738193.db2.gz GFWBDGSFHMHQCN-HSZRJFAPSA-N 0 0 481.593 4.285 50 0 JIAARN CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)Nc3ccc(F)cc3)C2)[C@H](c2ccsc2)NC1=O ZINC000035968487 569738870 /nfs/dbraw/zinc/73/88/70/569738870.db2.gz OEOSWQXWUOIYPF-RXVVDRJESA-N 0 0 470.570 4.123 50 0 JIAARN COC(=O)[C@H](C)Sc1nc2c(sc3nc(C)cc(C)c32)c(=O)n1-c1ccc(OC)cc1 ZINC000096592391 569742055 /nfs/dbraw/zinc/74/20/55/569742055.db2.gz QKSLDAYFTQNUNM-ZDUSSCGKSA-N 0 0 455.561 4.274 50 0 JIAARN CC1CCC2(CC1)OC[C@H](C(=O)NCc1cccnc1)N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035981525 569742600 /nfs/dbraw/zinc/74/26/00/569742600.db2.gz FNNNQFYLIRWUOW-VRVFXRSRSA-N 0 0 461.484 4.164 50 0 JIAARN CC1CCC2(CC1)OC[C@H](C(=O)NC[C@H]1CCCO1)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000035981571 569742762 /nfs/dbraw/zinc/74/27/62/569742762.db2.gz GKNWEBBQIVPVCG-QBWHIFMUSA-N 0 0 455.382 4.036 50 0 JIAARN COc1cc(-c2ncc(C(=O)NCC3CC3)c(N(C)C3CCCCC3)n2)cc(OC)c1OC ZINC000035987944 569743696 /nfs/dbraw/zinc/74/36/96/569743696.db2.gz APLQKTWVWDJWGH-UHFFFAOYSA-N 0 0 454.571 4.078 50 0 JIAARN CCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1 ZINC000035990308 569744109 /nfs/dbraw/zinc/74/41/09/569744109.db2.gz OOIHQDVSZBIMLE-UHFFFAOYSA-N 0 0 458.541 4.096 50 0 JIAARN COCc1nc2c(c(C)nn2-c2ccccc2Cl)c(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000035990348 569744112 /nfs/dbraw/zinc/74/41/12/569744112.db2.gz NFTSWODWZJALEK-UHFFFAOYSA-N 0 0 494.958 4.025 50 0 JIAARN Cc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccco3)=NN2C(=O)CN2CCOCC2)c1 ZINC000097104899 569744130 /nfs/dbraw/zinc/74/41/30/569744130.db2.gz OHHPFMPIDWLPJP-AREMUKBSSA-N 0 0 495.583 4.451 50 0 JIAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)C(C)C)cc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000035992022 569744793 /nfs/dbraw/zinc/74/47/93/569744793.db2.gz SGVSPNGQQKFKGS-XMMPIXPASA-N 0 0 490.648 4.360 50 0 JIAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCCC2)c1)C1CCCC1 ZINC000035993080 569745157 /nfs/dbraw/zinc/74/51/57/569745157.db2.gz YRUYYTXXTCBHCX-UHFFFAOYSA-N 0 0 492.595 4.153 50 0 JIAARN O=C(CSc1nc2ccccc2s1)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000097674616 569745742 /nfs/dbraw/zinc/74/57/42/569745742.db2.gz ILMPYHAHBREHNK-GZTJUZNOSA-N 0 0 473.576 4.380 50 0 JIAARN O=C(/C=C\c1ccc2c(c1)OCO2)NCCCCCCCNC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000097658488 569745747 /nfs/dbraw/zinc/74/57/47/569745747.db2.gz ZUFNEUXOUQENGO-JMVBYTIWSA-N 0 0 478.545 4.054 50 0 JIAARN Cc1cccc(-n2c(CN3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)nc3cccnc32)c1 ZINC000097937940 569745938 /nfs/dbraw/zinc/74/59/38/569745938.db2.gz SHQPWKVLCKWSQD-UHFFFAOYSA-N 0 0 489.645 4.161 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccccn2)C(=O)c2ccc(Cl)cc2)c1C ZINC000036002257 569746187 /nfs/dbraw/zinc/74/61/87/569746187.db2.gz UKPBSFXWWIMPCP-UHFFFAOYSA-N 0 0 453.926 4.382 50 0 JIAARN CC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3cccc(OC)c3)CC2)n1 ZINC000036002918 569746427 /nfs/dbraw/zinc/74/64/27/569746427.db2.gz XPQFTOJCXGVBHN-LJQANCHMSA-N 0 0 470.577 4.300 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)C(C)C)ccc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000036005843 569747302 /nfs/dbraw/zinc/74/73/02/569747302.db2.gz IQUWCYBKXPLUQD-UHFFFAOYSA-N 0 0 482.600 4.255 50 0 JIAARN Cc1ccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1C ZINC000036008310 569747885 /nfs/dbraw/zinc/74/78/85/569747885.db2.gz 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ZINC000036370035 569773349 /nfs/dbraw/zinc/77/33/49/569773349.db2.gz APMBPVJKJNHATJ-UHFFFAOYSA-N 0 0 456.340 4.243 50 0 biogenic JIAARN O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000100885138 569774279 /nfs/dbraw/zinc/77/42/79/569774279.db2.gz KWYHBBKNDPGSTP-VABKMULXSA-N 0 0 495.988 4.289 50 0 JIAARN C[C@@H](SCC(=O)Nc1cccc(Br)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000036395540 569774909 /nfs/dbraw/zinc/77/49/09/569774909.db2.gz WEVHNLVCFZHUDH-GFCCVEGCSA-N 0 0 459.373 4.393 50 0 JIAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2 ZINC000100904795 569774958 /nfs/dbraw/zinc/77/49/58/569774958.db2.gz PCOJKVRIJLMSTL-ZVDOUQERSA-N 0 0 457.921 4.443 50 0 JIAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2 ZINC000100909479 569775119 /nfs/dbraw/zinc/77/51/19/569775119.db2.gz OEWMXYGELZCKAY-SVFBPWRDSA-N 0 0 457.921 4.443 50 0 JIAARN O=C1CCC(=O)N1c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccc(Br)cc1)=N2 ZINC000100909411 569775121 /nfs/dbraw/zinc/77/51/21/569775121.db2.gz ZWIJRBGQQSJDDK-QGZVFWFLSA-N 0 0 484.741 4.403 50 0 JIAARN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000036398128 569775265 /nfs/dbraw/zinc/77/52/65/569775265.db2.gz PHMHWRHPPQQNIE-CQSZACIVSA-N 0 0 495.452 4.351 50 0 JIAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@H]1c1ccc(Cl)cc1 ZINC000100937590 569776714 /nfs/dbraw/zinc/77/67/14/569776714.db2.gz PZASTJJPJYDGLK-RXVVDRJESA-N 0 0 475.998 4.163 50 0 JIAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1ccc(Cl)cc1 ZINC000100937594 569776739 /nfs/dbraw/zinc/77/67/39/569776739.db2.gz PZASTJJPJYDGLK-WIYYLYMNSA-N 0 0 475.998 4.163 50 0 JIAARN CC(C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCCc1cccs1 ZINC000036585482 569776987 /nfs/dbraw/zinc/77/69/87/569776987.db2.gz MIGQCDBFZJWWMF-HXUWFJFHSA-N 0 0 452.605 4.262 50 0 JIAARN COCCNC(=O)CC1=CSC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccccc3F)N12 ZINC000100941825 569776998 /nfs/dbraw/zinc/77/69/98/569776998.db2.gz YKNKBYIAYSOALS-XMMPIXPASA-N 0 0 495.576 4.297 50 0 JIAARN CCC1=C(C(=O)OC)[C@@H](c2cc(C)ccc2C)N2C(CC(=O)NC[C@@H]3CCCO3)=CSC2=N1 ZINC000100947016 569777589 /nfs/dbraw/zinc/77/75/89/569777589.db2.gz RHFAKJLWYBXOIV-FDDCHVKYSA-N 0 0 469.607 4.127 50 0 JIAARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000101024073 569779799 /nfs/dbraw/zinc/77/97/99/569779799.db2.gz TVAZPMIFQMFVAP-VSKRKVRLSA-N 0 0 450.878 4.105 50 0 JIAARN CCOc1ccccc1C(=O)NCC(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000036806587 569780861 /nfs/dbraw/zinc/78/08/61/569780861.db2.gz LOFSGHWZFOPDKU-UHFFFAOYSA-N 0 0 486.450 4.464 50 0 JIAARN Cc1cc(C(=O)COC(=O)c2ccccc2OCc2cccc(C)c2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000036849703 569781010 /nfs/dbraw/zinc/78/10/10/569781010.db2.gz GLAWTPPUGUGPTA-JOCHJYFZSA-N 0 0 495.597 4.392 50 0 JIAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1 ZINC000037276916 569782214 /nfs/dbraw/zinc/78/22/14/569782214.db2.gz FRIGEJJTRUHQEE-UHFFFAOYSA-N 0 0 471.601 4.375 50 0 JIAARN Cc1cc(F)ccc1Oc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2)ncn1 ZINC000037357541 569783441 /nfs/dbraw/zinc/78/34/41/569783441.db2.gz UKOURDZBUHYKKJ-MRXNPFEDSA-N 0 0 476.961 4.269 50 0 JIAARN C[C@H]1CN(c2cc(Oc3ccc(F)cc3Cl)ncn2)CCN1C(=O)COCc1ccccc1 ZINC000037356961 569783503 /nfs/dbraw/zinc/78/35/03/569783503.db2.gz DBDRIMOZSOVGFC-KRWDZBQOSA-N 0 0 470.932 4.315 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000037377446 569784510 /nfs/dbraw/zinc/78/45/10/569784510.db2.gz XRBJXXNYVNUFIN-UHFFFAOYSA-N 0 0 476.531 4.317 50 0 JIAARN Cc1cc(C)c(NC(=O)CSc2nnc(Cc3ccc4c(c3)OCCCO4)n2C)c(C)c1 ZINC000101160916 569785112 /nfs/dbraw/zinc/78/51/12/569785112.db2.gz SUGPWDYKCKQGIP-UHFFFAOYSA-N 0 0 452.580 4.223 50 0 JIAARN COCCNC(=O)CCN(Cc1ccccc1)c1nc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000037384474 569785569 /nfs/dbraw/zinc/78/55/69/569785569.db2.gz BOSPDCODHDVRJV-UHFFFAOYSA-N 0 0 470.573 4.465 50 0 JIAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1cccc(C)c1 ZINC000037398932 569787485 /nfs/dbraw/zinc/78/74/85/569787485.db2.gz MRWAILQIGGDBFH-UHFFFAOYSA-N 0 0 458.606 4.494 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(CN(Cc3ccco3)C(=O)c3ccco3)c2)cc1 ZINC000037399814 569787894 /nfs/dbraw/zinc/78/78/94/569787894.db2.gz KZKIXMJFXGOCNF-UHFFFAOYSA-N 0 0 494.525 4.441 50 0 JIAARN O=C(CCN(Cc1ccco1)C(=O)c1csc(Nc2ccc(F)cc2)n1)NCc1ccncc1 ZINC000037426044 569789011 /nfs/dbraw/zinc/78/90/11/569789011.db2.gz DCBGVLVUWKSZQV-UHFFFAOYSA-N 0 0 479.537 4.363 50 0 JIAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101282187 569789082 /nfs/dbraw/zinc/78/90/82/569789082.db2.gz TVYNDEFGSYPXGM-UHFFFAOYSA-N 0 0 472.888 4.131 50 0 JIAARN CCOC(=O)[C@H](c1cccc(OC)c1)[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000037427212 569789388 /nfs/dbraw/zinc/78/93/88/569789388.db2.gz OHGORAYNNOJJOP-CBGDNZLLSA-N 0 0 499.507 4.164 50 0 JIAARN CCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000037443807 569791168 /nfs/dbraw/zinc/79/11/68/569791168.db2.gz JPSOJHFMHGEFFZ-URPYBDBRSA-N 0 0 455.599 4.224 50 0 JIAARN CCN(C)C(=O)CCCN1C(=O)COc2ccc(C(=O)COc3ccc(C(C)C)cc3)cc21 ZINC000037512863 569792471 /nfs/dbraw/zinc/79/24/71/569792471.db2.gz LXGRNIYTOXMTCN-UHFFFAOYSA-N 0 0 452.551 4.056 50 0 JIAARN CC(C)CC(=O)NC1CCN(c2ccccc2C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000037525622 569793579 /nfs/dbraw/zinc/79/35/79/569793579.db2.gz JHKVGPWKNXKVMU-UHFFFAOYSA-N 0 0 483.056 4.434 50 0 JIAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccc(F)c2)cc1)N1CCOCC1 ZINC000037556956 569795321 /nfs/dbraw/zinc/79/53/21/569795321.db2.gz WXVIAUDNHXKJEN-UHFFFAOYSA-N 0 0 450.485 4.213 50 0 JIAARN CCOC(=O)[C@H]1CCCN(C(=O)Cc2ccc(N(Cc3ccc(C)cc3)C(=O)CC)cc2)C1 ZINC000037558205 569795409 /nfs/dbraw/zinc/79/54/09/569795409.db2.gz XRVJQVRXPRTZGH-QHCPKHFHSA-N 0 0 450.579 4.282 50 0 JIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3cccc(F)c3)N2[C@H]1c1ccccc1 ZINC000101400728 569796347 /nfs/dbraw/zinc/79/63/47/569796347.db2.gz WPUDNILQNRHPTE-QFIPXVFZSA-N 0 0 451.523 4.280 50 0 JIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCc3cccs3)N2[C@@H]1c1ccsc1 ZINC000101401848 569796420 /nfs/dbraw/zinc/79/64/20/569796420.db2.gz TWDBNDDUBWEJCI-LJQANCHMSA-N 0 0 459.618 4.307 50 0 JIAARN CCOC(=O)[C@H]1CCCN(C(=O)Cc2cccc(N(Cc3ccc(F)cc3)C(=O)NC(C)C)c2)C1 ZINC000037600582 569796875 /nfs/dbraw/zinc/79/68/75/569796875.db2.gz RCYLHQIYJIIVAL-QFIPXVFZSA-N 0 0 483.584 4.295 50 0 JIAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000101408704 569796927 /nfs/dbraw/zinc/79/69/27/569796927.db2.gz PCDJELKRSHFNHY-PRHHBONVSA-N 0 0 489.881 4.098 50 0 JIAARN O=C(COc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C1CC1)CC2)NCc1ccccc1 ZINC000037602245 569797493 /nfs/dbraw/zinc/79/74/93/569797493.db2.gz OJBVQSLFYPPKFW-MHZLTWQESA-N 0 0 458.533 4.405 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)cc1 ZINC000038486565 569801450 /nfs/dbraw/zinc/80/14/50/569801450.db2.gz DCJSJULZWLTKEG-UHFFFAOYSA-N 0 0 451.479 4.080 50 0 JIAARN COc1ccc(-c2csc3c2ncn(CC(=O)NCc2ccccc2Br)c3=O)cc1 ZINC000038487061 569801773 /nfs/dbraw/zinc/80/17/73/569801773.db2.gz OCIDNQXDXGBWTO-UHFFFAOYSA-N 0 0 484.375 4.213 50 0 JIAARN COc1ccc(-c2cc3c4nnc(CCC(=O)NCc5ccc(SC)cc5)n4ccn3n2)cc1 ZINC000038487374 569801977 /nfs/dbraw/zinc/80/19/77/569801977.db2.gz WJQLYFRQUKHXAD-UHFFFAOYSA-N 0 0 472.574 4.024 50 0 JIAARN CCc1cccc(C)c1NS(=O)(=O)c1cc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000101629143 569802040 /nfs/dbraw/zinc/80/20/40/569802040.db2.gz QRKXFOHQYLMKKZ-SFTDATJTSA-N 0 0 454.592 4.342 50 0 JIAARN Cc1cc(C)c(NS(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)c(C)c1 ZINC000101628956 569802047 /nfs/dbraw/zinc/80/20/47/569802047.db2.gz XJTRXKJZWNBJSW-SFTDATJTSA-N 0 0 454.592 4.396 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)cc1Cl ZINC000101628328 569802075 /nfs/dbraw/zinc/80/20/75/569802075.db2.gz QZCRKAHTXBQXAL-HDICACEKSA-N 0 0 476.982 4.133 50 0 JIAARN Cc1nc(-c2nnn(-c3ccc(F)cc3)c2C)sc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000038487593 569802129 /nfs/dbraw/zinc/80/21/29/569802129.db2.gz XAEMOMHAKRWQDH-UHFFFAOYSA-N 0 0 462.554 4.109 50 0 JIAARN C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(I)cc4)c3)C(=O)[C@@H]2C1 ZINC000101716591 569803369 /nfs/dbraw/zinc/80/33/69/569803369.db2.gz VVCWJEDYCKNMKU-UPRAQXHNSA-N 0 0 488.325 4.469 50 0 JIAARN COc1ccc([C@@H](C)NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccccc5)nc-4c3c2)cc1OC ZINC000101828350 569805468 /nfs/dbraw/zinc/80/54/68/569805468.db2.gz DDOKQYALJFBDSR-MRXNPFEDSA-N 0 0 468.513 4.327 50 0 JIAARN CCCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(Br)cc3)no2)c1=O ZINC000038653082 569805759 /nfs/dbraw/zinc/80/57/59/569805759.db2.gz VXHNRULODOBVNU-UHFFFAOYSA-N 0 0 469.339 4.214 50 0 JIAARN Cc1ccc(CNc2nn3c(nc(C)c(CCC(=O)Nc4cccc(Cl)c4C)c3=O)[nH]2)cc1 ZINC000101834982 569805779 /nfs/dbraw/zinc/80/57/79/569805779.db2.gz DRDBHJRTPUNUHA-UHFFFAOYSA-N 0 0 464.957 4.180 50 0 JIAARN CCN(CC)c1nc2nc(SCC(=O)Nc3ccc4c(c3)CCC4)n(C(C)C)c(=O)c2s1 ZINC000038654801 569805887 /nfs/dbraw/zinc/80/58/87/569805887.db2.gz MMVAPDBKDVAANC-UHFFFAOYSA-N 0 0 471.652 4.500 50 0 JIAARN COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccccc5Cl)no4)ccc3c2=O)cc1 ZINC000038655328 569806015 /nfs/dbraw/zinc/80/60/15/569806015.db2.gz SKWCONYRUGTJHM-UHFFFAOYSA-N 0 0 460.877 4.117 50 0 JIAARN Cc1ccc(CN(C(=O)c2ccco2)c2nn3c(nc(C)c(Cc4ccccc4)c3=O)[nH]2)cc1 ZINC000101861144 569806335 /nfs/dbraw/zinc/80/63/35/569806335.db2.gz YBGRZBVHLOYKHG-UHFFFAOYSA-N 0 0 453.502 4.065 50 0 JIAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC(C)C)N2[C@@H]1c1cc(C)ccc1C ZINC000101857030 569806374 /nfs/dbraw/zinc/80/63/74/569806374.db2.gz UENATISBXJQEEL-HSZRJFAPSA-N 0 0 471.623 4.230 50 0 JIAARN CCCc1nc2c(c(=O)n1CC(=O)Nc1cc(C)c(Cl)cc1OC)CCN(Cc1ccccc1)C2 ZINC000101878905 569807063 /nfs/dbraw/zinc/80/70/63/569807063.db2.gz LTGMVXGFSXEADR-UHFFFAOYSA-N 0 0 495.023 4.363 50 0 JIAARN CS(=O)(=O)N1C[C@H](C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)Oc2ccccc21 ZINC000038860868 569808972 /nfs/dbraw/zinc/80/89/72/569808972.db2.gz GXBFPIGBTXHNDA-OAQYLSRUSA-N 0 0 458.923 4.298 50 0 JIAARN Cc1ccc2c(c1)CN(CC(=O)NCCc1nc3ccccc3n1C)C[C@H](c1ccsc1)O2 ZINC000039394367 569809605 /nfs/dbraw/zinc/80/96/05/569809605.db2.gz RCCRFUZSKALJPB-XMMPIXPASA-N 0 0 460.603 4.238 50 0 JIAARN Cc1ccc2c(c1)CN(CC(=O)NCCc1nc3ccccc3n1C)C[C@@H](c1ccsc1)O2 ZINC000039394368 569809668 /nfs/dbraw/zinc/80/96/68/569809668.db2.gz RCCRFUZSKALJPB-DEOSSOPVSA-N 0 0 460.603 4.238 50 0 JIAARN Cc1ccc2nc(Nc3nc(-c4cnc(N5CCC(C)CC5)nc4C)cc(=O)[nH]3)nc(C)c2c1 ZINC000039403999 569809750 /nfs/dbraw/zinc/80/97/50/569809750.db2.gz XWTGBQLORISGDT-UHFFFAOYSA-N 0 0 456.554 4.075 50 0 JIAARN COc1ccccc1[C@@H]1CN(CC(=O)NCc2cnc3ccccc3c2)Cc2ccccc2O1 ZINC000039461304 569809949 /nfs/dbraw/zinc/80/99/49/569809949.db2.gz SYNSRBLRQBLUSC-MHZLTWQESA-N 0 0 453.542 4.496 50 0 JIAARN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1NCCCN1CCOCC1)c1ccc(Cl)cc1 ZINC000039843946 569811963 /nfs/dbraw/zinc/81/19/63/569811963.db2.gz 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CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)cc1 ZINC000012804030 195140770 /nfs/dbraw/zinc/14/07/70/195140770.db2.gz DPYTVODMVVYHFW-UHFFFAOYSA-N 0 0 471.598 4.499 50 0 JIAARN NS(=O)(=O)c1cccc(NC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccc(F)cc2)c1 ZINC000012805896 195141441 /nfs/dbraw/zinc/14/14/41/195141441.db2.gz YCEQFVJIABAZGP-UHFFFAOYSA-N 0 0 455.486 4.332 50 0 JIAARN Cc1ccc(NC(=O)CSc2nc3nn(-c4ccccc4)c(=O)c-3c3n2CCCCC3)cc1 ZINC000012806266 195141724 /nfs/dbraw/zinc/14/17/24/195141724.db2.gz IQYQFULHIZJRRC-UHFFFAOYSA-N 0 0 459.575 4.299 50 0 JIAARN Cc1ccc([C@H](NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c2ccccc2)cc1C ZINC000012806625 195141969 /nfs/dbraw/zinc/14/19/69/195141969.db2.gz WIJKRQXMXPRJGQ-UHSQPCAPSA-N 0 0 467.569 4.293 50 0 JIAARN CCCc1ccc([C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2cccs2)cc1 ZINC000012809746 195143702 /nfs/dbraw/zinc/14/37/02/195143702.db2.gz HSKZJGXJWJSTPT-XMMPIXPASA-N 0 0 484.643 4.241 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)cc1OCC 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/nfs/dbraw/zinc/14/70/98/195147098.db2.gz ZZTFDTYVUWPSKF-UHFFFAOYSA-N 0 0 481.578 4.128 50 0 JIAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(C(=O)OC(C)C)cc1)C2=O ZINC000012820001 195148883 /nfs/dbraw/zinc/14/88/83/195148883.db2.gz NOPYFZDKHUMFTC-UHFFFAOYSA-N 0 0 457.571 4.107 50 0 JIAARN CCc1nn2c(nc(CSc3nnc(-c4cccnc4)n3[C@@H]3CCCC[C@H]3C)cc2=O)s1 ZINC000012821929 195149765 /nfs/dbraw/zinc/14/97/65/195149765.db2.gz PIYMPOBUMUKDQM-RHSMWYFYSA-N 0 0 467.624 4.410 50 0 JIAARN CCOc1c(Br)cc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000012821954 195149827 /nfs/dbraw/zinc/14/98/27/195149827.db2.gz AKZBNJSZAWKVDY-UHFFFAOYSA-N 0 0 475.792 4.069 50 0 JIAARN O=C(COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012823392 195150388 /nfs/dbraw/zinc/15/03/88/195150388.db2.gz VZRAQHPNRBGXKT-UHFFFAOYSA-N 0 0 496.970 4.049 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)nc(S(=O)(=O)CCC(=O)N[C@@H](C)c3ccccc3)n2)cc1 ZINC000012845299 195151859 /nfs/dbraw/zinc/15/18/59/195151859.db2.gz BNUKUAIFGNGKBD-HNNXBMFYSA-N 0 0 493.507 4.212 50 0 JIAARN COc1ccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000012854173 195156403 /nfs/dbraw/zinc/15/64/03/195156403.db2.gz DIKXBESSEOEZSJ-UHFFFAOYSA-N 0 0 454.548 4.155 50 0 JIAARN COC(=O)c1cc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc(C(=O)OC)c1 ZINC000012856424 195157741 /nfs/dbraw/zinc/15/77/41/195157741.db2.gz KBZJCDVCHJHXCN-UHFFFAOYSA-N 0 0 456.907 4.193 50 0 JIAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1C(=S)N=NC1c1cccc(C)c1 ZINC000012861500 195159250 /nfs/dbraw/zinc/15/92/50/195159250.db2.gz KHBPZGWYHMPJPP-UHFFFAOYSA-N 0 0 477.512 4.048 50 0 JIAARN CC[C@@H]1CCCCN1C(=O)CSc1nnc(NCCc2ccc(OC)c(OC)c2)s1 ZINC000012861919 195159536 /nfs/dbraw/zinc/15/95/36/195159536.db2.gz HQJLUJXHVWWPGR-MRXNPFEDSA-N 0 0 450.630 4.093 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCc2ccc(OC)c(Br)c2)c1 ZINC000012876558 195166352 /nfs/dbraw/zinc/16/63/52/195166352.db2.gz QADQUKAQCOASTD-UHFFFAOYSA-N 0 0 469.401 4.060 50 0 JIAARN Cc1cc(C)c(NC(=O)CNC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c(C)c1 ZINC000012878779 195167664 /nfs/dbraw/zinc/16/76/64/195167664.db2.gz OJFPZELOZRQHLI-QGZVFWFLSA-N 0 0 465.497 4.188 50 0 JIAARN COc1ccccc1[C@H]1CN2C(=O)CN(CCc3ccccc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012880455 195168248 /nfs/dbraw/zinc/16/82/48/195168248.db2.gz MQYRUOZOEGQCPD-DJUQAAIZSA-N 0 0 479.580 4.451 50 0 biogenic JIAARN COc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2OC)c1 ZINC000012887425 195171101 /nfs/dbraw/zinc/17/11/01/195171101.db2.gz HJOZYIPBKJYLOR-UHFFFAOYSA-N 0 0 476.938 4.419 50 0 JIAARN COc1ccc(-c2cc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)ccc2OC)cc1 ZINC000012899903 195177111 /nfs/dbraw/zinc/17/71/11/195177111.db2.gz ALPGCDDGXRXRRL-UHFFFAOYSA-N 0 0 474.966 4.283 50 0 JIAARN O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1cccc(N2CCCS2(=O)=O)c1 ZINC000012889703 195172308 /nfs/dbraw/zinc/17/23/08/195172308.db2.gz HJRNBYBALTUGIM-VWLOTQADSA-N 0 0 483.517 4.330 50 0 JIAARN COc1ccc([C@H](CNC(=O)c2c(C)onc2-c2c(F)cccc2Cl)N2CCOCC2)cc1 ZINC000012891438 195173048 /nfs/dbraw/zinc/17/30/48/195173048.db2.gz RMGPNISPMHZYLL-FQEVSTJZSA-N 0 0 473.932 4.254 50 0 JIAARN CCn1c2ccccc2n(CCC(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c1=O ZINC000012892850 195173874 /nfs/dbraw/zinc/17/38/74/195173874.db2.gz UMDYJEXIOVCJTM-UHFFFAOYSA-N 0 0 458.349 4.403 50 0 JIAARN CN(CC(=O)Nc1ccccc1Br)C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000012893792 195174328 /nfs/dbraw/zinc/17/43/28/195174328.db2.gz ZWTCYOYEBZOGGX-UHFFFAOYSA-N 0 0 494.798 4.144 50 0 JIAARN Cc1cc(Br)ccc1SCC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000012893922 195174354 /nfs/dbraw/zinc/17/43/54/195174354.db2.gz BHXQRXZETZGRKO-CQSZACIVSA-N 0 0 456.427 4.473 50 0 JIAARN COc1ccccc1-c1nnc(SCC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)o1 ZINC000012895285 195175135 /nfs/dbraw/zinc/17/51/35/195175135.db2.gz CZUBMGNNESYCFW-UHFFFAOYSA-N 0 0 478.530 4.023 50 0 JIAARN COc1ccc(-c2nc3c4ccccc4n(C[C@@H](O)COc4ccc5ccccc5c4)c(=O)n3n2)cc1 ZINC000012862436 195160059 /nfs/dbraw/zinc/16/00/59/195160059.db2.gz VYHVRVQPZRADGJ-JOCHJYFZSA-N 0 0 492.535 4.313 50 0 JIAARN COc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4ccc(Br)c(C)c4)CC3=O)c2c1 ZINC000012863306 195160296 /nfs/dbraw/zinc/16/02/96/195160296.db2.gz DQSWFLROVCFCAE-MRXNPFEDSA-N 0 0 470.367 4.277 50 0 JIAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 ZINC000012898980 195176565 /nfs/dbraw/zinc/17/65/65/195176565.db2.gz FOLJWMAWPITPCE-VWLOTQADSA-N 0 0 464.525 4.034 50 0 biogenic JIAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)CC2)cc1 ZINC000012902449 195178024 /nfs/dbraw/zinc/17/80/24/195178024.db2.gz ALXRGSUVHNKRLS-UHFFFAOYSA-N 0 0 494.491 4.121 50 0 JIAARN COc1cc2c(cc1OC)CN(Cc1nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]1)CC2 ZINC000012903052 195178263 /nfs/dbraw/zinc/17/82/63/195178263.db2.gz UGSLFAWSPVGMFL-UHFFFAOYSA-N 0 0 451.523 4.366 50 0 JIAARN COc1ccc(NC(=O)CN(C)C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000012902719 195178347 /nfs/dbraw/zinc/17/83/47/195178347.db2.gz OKEYAEVZKSQTGH-UHFFFAOYSA-N 0 0 484.906 4.076 50 0 JIAARN O=C(CN1CCC(C(=O)N2CCCCC2)CC1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000012903523 195178459 /nfs/dbraw/zinc/17/84/59/195178459.db2.gz RCVDCXXKUXXOMH-HSZRJFAPSA-N 0 0 457.665 4.008 50 0 JIAARN COc1cc(CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)ccc1OC(F)F ZINC000012905483 195179657 /nfs/dbraw/zinc/17/96/57/195179657.db2.gz NGCMIXRHPSJNRK-LJQANCHMSA-N 0 0 455.255 4.026 50 0 JIAARN Cc1ccc(-n2c([O-])c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)n(-c3ccc(C)cc3)c2=O)cc1 ZINC000020610635 195183749 /nfs/dbraw/zinc/18/37/49/195183749.db2.gz ITQJVFHIDFFYEW-SANMLTNESA-N 0 0 478.552 4.027 50 0 biogenic JIAARN CCOc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020614573 195186765 /nfs/dbraw/zinc/18/67/65/195186765.db2.gz YXLOAIDNWUVUHU-VWLOTQADSA-N 0 0 491.563 4.246 50 0 JIAARN CCn1cc(CN2CCN(C(=O)c3ccc4c(c3)c(C)c(C)n4Cc3ccccc3)CC2)cn1 ZINC000020616397 195188058 /nfs/dbraw/zinc/18/80/58/195188058.db2.gz VIOFUFNVRBMVKV-UHFFFAOYSA-N 0 0 455.606 4.481 50 0 JIAARN CCn1ncc(Cn2nc(C)c(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)c2C)c1C ZINC000020617221 195188962 /nfs/dbraw/zinc/18/89/62/195188962.db2.gz TUAHYIXNBOTPJC-UHFFFAOYSA-N 0 0 465.505 4.292 50 0 JIAARN CCOC(CCn1c(SCC(=O)N[C@H](C)CC)nc2c3ccccc3sc2c1=O)OCC ZINC000020640996 195192952 /nfs/dbraw/zinc/19/29/52/195192952.db2.gz IRVXXTVPMGOOKJ-OAHLLOKOSA-N 0 0 477.652 4.407 50 0 JIAARN COc1ccccc1CNC(=O)C[C@H]1C(=O)N(Cc2ccccc2)[C@@H](C)c2nc3ccccc3n21 ZINC000020676956 195201849 /nfs/dbraw/zinc/20/18/49/195201849.db2.gz UWNGGEQRIHCXNH-CYFREDJKSA-N 0 0 468.557 4.396 50 0 JIAARN CCc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N2CCN(c3ccc(C)cc3)[C@@H](C)C2)cc1 ZINC000020679359 195203413 /nfs/dbraw/zinc/20/34/13/195203413.db2.gz WIXFPBALTSKTPV-KCWXNJEJSA-N 0 0 484.600 4.492 50 0 JIAARN O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1 ZINC000020850672 195230845 /nfs/dbraw/zinc/23/08/45/195230845.db2.gz NWRTTZHNEGVSFY-HSZRJFAPSA-N 0 0 454.979 4.335 50 0 JIAARN COc1ccccc1CNC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020850892 195231112 /nfs/dbraw/zinc/23/11/12/195231112.db2.gz XHXOVGMMAMLSGR-HSZRJFAPSA-N 0 0 485.005 4.343 50 0 JIAARN Cc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)c(C)c1 ZINC000020749897 195215639 /nfs/dbraw/zinc/21/56/39/195215639.db2.gz UOQGHSVPVBASSB-IBGZPJMESA-N 0 0 478.570 4.239 50 0 JIAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCCN1CCOCC1)occ3-c1ccccc1 ZINC000020759292 195217381 /nfs/dbraw/zinc/21/73/81/195217381.db2.gz QMIOXGORPSMOCM-UHFFFAOYSA-N 0 0 474.557 4.286 50 0 biogenic JIAARN C[C@@H]1CCC[C@H](NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)[C@@H]1C ZINC000020765630 195220974 /nfs/dbraw/zinc/22/09/74/195220974.db2.gz FVRYZNLFNTYPKP-FTIBCMOBSA-N 0 0 493.467 4.280 50 0 JIAARN CCCSCCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000020903136 195242625 /nfs/dbraw/zinc/24/26/25/195242625.db2.gz JLBFJKMCVNDDNB-AREMUKBSSA-N 0 0 487.666 4.465 50 0 JIAARN Cn1cccc1Cc1nnc(SCC(=O)NC2CCCC2)n1-c1cccc(C(F)(F)F)c1 ZINC000020856752 195231990 /nfs/dbraw/zinc/23/19/90/195231990.db2.gz OOFFGPRSTVLWJD-UHFFFAOYSA-N 0 0 463.529 4.366 50 0 JIAARN CCCNc1sc(S(=O)(=O)c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020869210 195235380 /nfs/dbraw/zinc/23/53/80/195235380.db2.gz VKVGUXDQQCMXOY-UHFFFAOYSA-N 0 0 456.998 4.284 50 0 JIAARN CCCn1c(CN2CCN(C(=O)OCC)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000020893377 195238044 /nfs/dbraw/zinc/23/80/44/195238044.db2.gz NVCJQCNVWGAMLQ-UHFFFAOYSA-N 0 0 455.603 4.239 50 0 JIAARN COc1cc(NC(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)cc(OC)c1 ZINC000020939622 195254898 /nfs/dbraw/zinc/25/48/98/195254898.db2.gz RPVTUCNQVKAZBA-UHFFFAOYSA-N 0 0 464.547 4.424 50 0 JIAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(C)cc1C)c1cc(C)cc(C)c1 ZINC000020945804 195256655 /nfs/dbraw/zinc/25/66/55/195256655.db2.gz UPJRHIXPQZIGEC-UHFFFAOYSA-N 0 0 454.596 4.105 50 0 JIAARN CCn1cc2nc(SCC(=O)Nc3ccccc3)n(Cc3ccc(Cl)cc3)c(=O)c2n1 ZINC000020981658 195259147 /nfs/dbraw/zinc/25/91/47/195259147.db2.gz LYRLUMMZYSLXMJ-UHFFFAOYSA-N 0 0 453.955 4.045 50 0 JIAARN Cc1ccc(N2C(=O)CN(S(=O)(=O)c3ccccc3)C[C@@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000020928651 195249922 /nfs/dbraw/zinc/24/99/22/195249922.db2.gz BSRGZAXUGSZPMR-MHZLTWQESA-N 0 0 497.661 4.020 50 0 JIAARN Cc1nn2c(nc(CSc3ccccc3NC(=O)COc3ccccc3Cl)cc2=O)s1 ZINC000020982849 195259368 /nfs/dbraw/zinc/25/93/68/195259368.db2.gz BAPBKUUUBKBDDA-UHFFFAOYSA-N 0 0 472.979 4.423 50 0 JIAARN COc1ccc(CN2CCN(C(=O)C3=Cc4sc(C)c(C)c4CS3)CC2)c(OC)c1OC ZINC000020931271 195251599 /nfs/dbraw/zinc/25/15/99/195251599.db2.gz IEICZTJWXNZRIQ-UHFFFAOYSA-N 0 0 474.648 4.323 50 0 JIAARN O=C(Cn1nc2c3ccccc3n(Cc3ccccc3)cc-2c1=O)NCCCc1ccccc1 ZINC000020936876 195253159 /nfs/dbraw/zinc/25/31/59/195253159.db2.gz LJBPHRBQGIOQSS-UHFFFAOYSA-N 0 0 450.542 4.100 50 0 JIAARN CCc1ccc(CNC(=O)[C@H](C)n2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 ZINC000020937603 195253654 /nfs/dbraw/zinc/25/36/54/195253654.db2.gz OTMZPHMJOHJIDC-IBGZPJMESA-N 0 0 453.608 4.256 50 0 JIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCN(C(=O)NCc3ccc(C)cc3)CC1)nnc2C ZINC000020987718 195261188 /nfs/dbraw/zinc/26/11/88/195261188.db2.gz YSJVGJMDALKIQN-UHFFFAOYSA-N 0 0 469.593 4.081 50 0 JIAARN C[C@H](NC(=O)CCN1c2ccccc2Sc2ncccc2C1=O)c1ccc2c(c1)OCCO2 ZINC000020993462 195262683 /nfs/dbraw/zinc/26/26/83/195262683.db2.gz ANSJDVHSJPVVPQ-INIZCTEOSA-N 0 0 461.543 4.232 50 0 JIAARN COc1ccc(Br)cc1CNC(=O)c1ccc(CN2CCCn3nc(C)cc32)cc1 ZINC000020995973 195264575 /nfs/dbraw/zinc/26/45/75/195264575.db2.gz WBPBTIHBZKGZMD-UHFFFAOYSA-N 0 0 469.383 4.303 50 0 JIAARN O=C(Nc1ccccc1C(=O)OCc1cc(=O)n2c(n1)sc1c2CCCC1)c1ccccc1F ZINC000021016974 195266906 /nfs/dbraw/zinc/26/69/06/195266906.db2.gz ZVQSRSOCNOMQRW-UHFFFAOYSA-N 0 0 477.517 4.383 50 0 JIAARN CC(C)Oc1ccc(CN2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)cc1 ZINC000021040218 195270566 /nfs/dbraw/zinc/27/05/66/195270566.db2.gz JDXSGYQSEMXUKF-UHFFFAOYSA-N 0 0 461.585 4.288 50 0 JIAARN COC(=O)c1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1 ZINC000021099967 195276310 /nfs/dbraw/zinc/27/63/10/195276310.db2.gz KCRMIFZUHDRCIZ-UHFFFAOYSA-N 0 0 458.474 4.013 50 0 JIAARN Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)n1 ZINC000021113810 195278036 /nfs/dbraw/zinc/27/80/36/195278036.db2.gz ZQYXKKJCOVBFFI-UHFFFAOYSA-N 0 0 473.924 4.125 50 0 JIAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)C(=O)NC1CCCCC1 ZINC000021124347 195280163 /nfs/dbraw/zinc/28/01/63/195280163.db2.gz LPKUZZNTOOHHDU-MRXNPFEDSA-N 0 0 478.998 4.159 50 0 JIAARN COc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc1OC ZINC000021148634 195281786 /nfs/dbraw/zinc/28/17/86/195281786.db2.gz CBUBWPQOGHREDN-VWLOTQADSA-N 0 0 465.550 4.468 50 0 JIAARN COc1ccccc1C(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2nc(C)ccc2c1=O ZINC000021151554 195283064 /nfs/dbraw/zinc/28/30/64/195283064.db2.gz JWKQFLRJYHROFL-UHFFFAOYSA-N 0 0 461.905 4.237 50 0 JIAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000021153681 195284331 /nfs/dbraw/zinc/28/43/31/195284331.db2.gz UTNRSOKMBJITFT-MHZLTWQESA-N 0 0 471.582 4.332 50 0 JIAARN COc1cc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc(OC)c1 ZINC000021156861 195285312 /nfs/dbraw/zinc/28/53/12/195285312.db2.gz QUKLPASQYRCMKI-UHFFFAOYSA-N 0 0 460.490 4.243 50 0 JIAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)c(OC)c1OC ZINC000021177386 195290554 /nfs/dbraw/zinc/29/05/54/195290554.db2.gz RKUBVYRKRVPLGA-CQSZACIVSA-N 0 0 450.520 4.290 50 0 JIAARN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000021309245 195294009 /nfs/dbraw/zinc/29/40/09/195294009.db2.gz WRYCUFKRUXWDCT-YJBOKZPZSA-N 0 0 482.631 4.285 50 0 JIAARN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000021309241 195294129 /nfs/dbraw/zinc/29/41/29/195294129.db2.gz WRYCUFKRUXWDCT-QAPCUYQASA-N 0 0 482.631 4.285 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(CC)cc2)c2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000021350561 195296345 /nfs/dbraw/zinc/29/63/45/195296345.db2.gz KHAGZQPOASFFCY-XMMPIXPASA-N 0 0 459.550 4.034 50 0 JIAARN Clc1cccc([C@@H](c2ccccc2)N2CCN(c3nn4nnnc4c4ccccc43)CC2)c1 ZINC000021367128 195300265 /nfs/dbraw/zinc/30/02/65/195300265.db2.gz QZLVIVGRQRGPPJ-HSZRJFAPSA-N 0 0 455.953 4.238 50 0 JIAARN CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3[nH]c(C)c(C(=O)OC)c3C)cs2)cc1 ZINC000021465422 195301960 /nfs/dbraw/zinc/30/19/60/195301960.db2.gz PJLOHIDKIXPZBT-UHFFFAOYSA-N 0 0 455.536 4.479 50 0 JIAARN O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000021487502 195303173 /nfs/dbraw/zinc/30/31/73/195303173.db2.gz SJWKLYCCTUSSAI-UHFFFAOYSA-N 0 0 467.576 4.330 50 0 JIAARN Cc1cc(O)ccc1[C@H]1Nc2ccccc2-n2c(-c3ccccc3F)c3c(c21)n(C)c(=O)n(C)c3=O ZINC000021525779 195304751 /nfs/dbraw/zinc/30/47/51/195304751.db2.gz AENHHXABVQZSCO-HSZRJFAPSA-N 0 0 482.515 4.363 50 0 JIAARN C[C@H](NC(=O)c1ccc(NC(=O)N2CCSc3ncccc32)cc1)c1ccc2c(c1)OCCO2 ZINC000021531193 195309456 /nfs/dbraw/zinc/30/94/56/195309456.db2.gz VMFIPFGUCSVWFD-INIZCTEOSA-N 0 0 476.558 4.488 50 0 JIAARN COc1cccc(CNC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)c1OC ZINC000021531242 195309788 /nfs/dbraw/zinc/30/97/88/195309788.db2.gz AAUDATWAKGTEJT-UHFFFAOYSA-N 0 0 464.547 4.173 50 0 JIAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 ZINC000021792134 195321701 /nfs/dbraw/zinc/32/17/01/195321701.db2.gz LSVZSJWSZKTECP-HXUWFJFHSA-N 0 0 468.513 4.399 50 0 JIAARN CCCn1cnc2nc(CSc3ccccc3NC(=O)c3ccc(OCC)cc3)cc(=O)n21 ZINC000021797434 195322857 /nfs/dbraw/zinc/32/28/57/195322857.db2.gz JZALZPOKUDGQFB-UHFFFAOYSA-N 0 0 463.563 4.244 50 0 JIAARN CCCn1cnc2nc(CSc3ccccc3NC(=O)COc3c(C)cccc3C)cc(=O)n21 ZINC000021797341 195322927 /nfs/dbraw/zinc/32/29/27/195322927.db2.gz PYVGZRAIFUDOMM-UHFFFAOYSA-N 0 0 477.590 4.228 50 0 JIAARN CCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccc(N4CCOCC4)cc3)cc2)cc1 ZINC000021888843 195325843 /nfs/dbraw/zinc/32/58/43/195325843.db2.gz FIYBNLRXKVLHPN-UHFFFAOYSA-N 0 0 474.561 4.225 50 0 JIAARN CCOc1ccc(CCNc2nccn(-c3ccc(Br)cc3)c2=O)cc1OCC ZINC000021894544 195328480 /nfs/dbraw/zinc/32/84/80/195328480.db2.gz SKHRGUKHPGKVOY-UHFFFAOYSA-N 0 0 458.356 4.447 50 0 JIAARN CC(C)OCCCNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1Cc1cccs1 ZINC000021912448 195330651 /nfs/dbraw/zinc/33/06/51/195330651.db2.gz LUUOUXPOTYIFRO-QFIPXVFZSA-N 0 0 471.648 4.347 50 0 JIAARN O=C(c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)N1CCN(Cc2ccccc2)CC1 ZINC000021915113 195331634 /nfs/dbraw/zinc/33/16/34/195331634.db2.gz LOPGTNTYLIROMC-UHFFFAOYSA-N 0 0 468.601 4.481 50 0 JIAARN O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)N1CCN(Cc2ccccc2)CC1 ZINC000021915712 195331958 /nfs/dbraw/zinc/33/19/58/195331958.db2.gz MTUGGZHQRPJREF-UHFFFAOYSA-N 0 0 454.530 4.127 50 0 JIAARN CCOc1ccc(-c2cc3c(N4CCC(C(=O)NCc5ccccc5)CC4)nccn3n2)cc1 ZINC000021932463 195335503 /nfs/dbraw/zinc/33/55/03/195335503.db2.gz MBUAUZJBJHNKOK-UHFFFAOYSA-N 0 0 455.562 4.328 50 0 JIAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000021933407 195335569 /nfs/dbraw/zinc/33/55/69/195335569.db2.gz POQHTZFIFAAUDT-UHFFFAOYSA-N 0 0 461.953 4.036 50 0 JIAARN CCc1ccc(NC(=O)CN2N=C(c3ccccc3)c3cc(Cl)ccc3S2(=O)=O)cc1 ZINC000021942536 195339585 /nfs/dbraw/zinc/33/95/85/195339585.db2.gz KIRVVKLGCXJHOG-UHFFFAOYSA-N 0 0 453.951 4.298 50 0 JIAARN CCc1ccccc1NC(=O)CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O ZINC000021942530 195339600 /nfs/dbraw/zinc/33/96/00/195339600.db2.gz XVGXPLNPGQUZFM-UHFFFAOYSA-N 0 0 453.951 4.298 50 0 JIAARN CCOc1ccccc1NC(=O)CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O ZINC000021942545 195339639 /nfs/dbraw/zinc/33/96/39/195339639.db2.gz FOKLCVMSTFPGRC-UHFFFAOYSA-N 0 0 469.950 4.134 50 0 JIAARN CCOc1ccccc1NC(=O)CN1N=C(c2ccccc2F)c2cc(Cl)ccc2S1(=O)=O ZINC000021942669 195339795 /nfs/dbraw/zinc/33/97/95/195339795.db2.gz GNXYVICVDFHQLA-UHFFFAOYSA-N 0 0 487.940 4.273 50 0 JIAARN Cc1cccc(Cl)c1NC(=O)Cn1c2ccsc2c(=O)n(-c2cc(F)cc(F)c2)c1=O ZINC000057429097 195342073 /nfs/dbraw/zinc/34/20/73/195342073.db2.gz NKFNAVMLUFMIJC-UHFFFAOYSA-N 0 0 461.877 4.093 50 0 JIAARN COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1Cl ZINC000057487061 195344749 /nfs/dbraw/zinc/34/47/49/195344749.db2.gz CLHWYPZVFKTJCV-UHFFFAOYSA-N 0 0 452.854 4.235 50 0 JIAARN COc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccc(Cl)cc3)n2)cc1OC ZINC000057487217 195344776 /nfs/dbraw/zinc/34/47/76/195344776.db2.gz BQJQUZLTVBNTFU-UHFFFAOYSA-N 0 0 452.898 4.192 50 0 JIAARN COc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(F)cc(F)c2)c1 ZINC000057489197 195346540 /nfs/dbraw/zinc/34/65/40/195346540.db2.gz GPRVHHYYKNJIQP-UHFFFAOYSA-N 0 0 459.499 4.465 50 0 JIAARN Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c1=O ZINC000057489891 195346733 /nfs/dbraw/zinc/34/67/33/195346733.db2.gz QFFUETWCCRCFEB-UHFFFAOYSA-N 0 0 460.342 4.468 50 0 JIAARN Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3c(C)cccc3Cl)c2=O)ccc1F ZINC000057494643 195348444 /nfs/dbraw/zinc/34/84/44/195348444.db2.gz JJELICZFNAJFRT-UHFFFAOYSA-N 0 0 457.914 4.262 50 0 JIAARN COc1ccc(-c2noc(-c3cccn(CC(=O)Nc4c(C)cc(C)cc4C)c3=O)n2)cc1OC ZINC000057511317 195349860 /nfs/dbraw/zinc/34/98/60/195349860.db2.gz JUFFCSKOQKSVEN-UHFFFAOYSA-N 0 0 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QWXSOXMRUJDBGR-JOCHJYFZSA-N 0 0 474.598 4.057 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C(=O)c1ccccc1 ZINC000036121863 523649572 /nfs/dbraw/zinc/64/95/72/523649572.db2.gz YQGOMFRBFRDSLI-QHCPKHFHSA-N 0 0 478.614 4.350 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)C1CCCC1 ZINC000036120778 523649779 /nfs/dbraw/zinc/64/97/79/523649779.db2.gz REQOWYKDMZSARQ-JOCHJYFZSA-N 0 0 474.598 4.057 50 0 JIAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(OC)cc4OC)cc32)cc1 ZINC000064990773 523668174 /nfs/dbraw/zinc/66/81/74/523668174.db2.gz BJYPXBVDWGMDHA-UHFFFAOYSA-N 0 0 461.518 4.237 50 0 JIAARN COc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4cccc(Cl)c4C)cc32)cc1 ZINC000065002706 523668444 /nfs/dbraw/zinc/66/84/44/523668444.db2.gz DXWPXNROHZZFMA-UHFFFAOYSA-N 0 0 470.978 4.338 50 0 JIAARN COc1ccc(C(=O)N2c3cc(CNS(=O)(=O)c4cc(C)ccc4C)ccc3C[C@H]2C)cc1 ZINC000065003351 523676252 /nfs/dbraw/zinc/67/62/52/523676252.db2.gz XTEPADLHUASRJA-LJQANCHMSA-N 0 0 464.587 4.382 50 0 JIAARN CCc1c(C(=O)OC)c2cc(NS(=O)(=O)c3ccccc3)ccc2n1S(=O)(=O)c1ccccc1 ZINC000006142906 523706218 /nfs/dbraw/zinc/70/62/18/523706218.db2.gz NMYRREQKDUGDGY-UHFFFAOYSA-N 0 0 498.582 4.028 50 0 JIAARN COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000036433549 523736748 /nfs/dbraw/zinc/73/67/48/523736748.db2.gz OMVNPHFONDMTGF-CUVVAGTFSA-N 0 0 493.629 4.276 50 0 JIAARN CCc1cc2c(C)cc(=O)oc2cc1OC(=O)CCCCCNS(=O)(=O)c1ccc(C)cc1 ZINC000002314861 523845222 /nfs/dbraw/zinc/84/52/22/523845222.db2.gz ORQFFYAQRNSDIF-UHFFFAOYSA-N 0 0 471.575 4.417 50 0 JIAARN CCc1cc2c(cc1OCC(=O)OC)oc(C(F)(F)F)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000002311398 523845517 /nfs/dbraw/zinc/84/55/17/523845517.db2.gz ISTVTELNTBTNEK-UHFFFAOYSA-N 0 0 464.392 4.364 50 0 JIAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1 ZINC000033173579 523854168 /nfs/dbraw/zinc/85/41/68/523854168.db2.gz LZAMDGIWIMRYGP-UHFFFAOYSA-N 0 0 495.523 4.442 50 0 JIAARN CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000046027703 523862064 /nfs/dbraw/zinc/86/20/64/523862064.db2.gz AOHMQJHKHNAWHE-UHFFFAOYSA-N 0 0 465.619 4.192 50 0 JIAARN CCc1ccc(-c2noc(CSc3nc4cc5c(cc4c(=O)n3C[C@H]3CCCO3)OCO5)n2)cc1 ZINC000033279755 523864506 /nfs/dbraw/zinc/86/45/06/523864506.db2.gz WNMLINVIXVXPGP-QGZVFWFLSA-N 0 0 492.557 4.209 50 0 JIAARN COc1ccc(C2(CNC(=O)c3ccc(NC(=O)COc4ccccc4)cc3)CCOCC2)cc1 ZINC000016362068 523868926 /nfs/dbraw/zinc/86/89/26/523868926.db2.gz KKWWKPCGFYTYCX-UHFFFAOYSA-N 0 0 474.557 4.191 50 0 JIAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2ccccc2C(=O)OC)cc3C)cc1 ZINC000045990662 523869140 /nfs/dbraw/zinc/86/91/40/523869140.db2.gz KSJYTLQMWPVRSS-UHFFFAOYSA-N 0 0 458.518 4.404 50 0 JIAARN COC(=O)[C@H](C)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070666140 523880621 /nfs/dbraw/zinc/88/06/21/523880621.db2.gz CYBYBMHJHIFSJH-AOHGAYBOSA-N 0 0 477.686 4.071 50 0 biogenic JIAARN CN1CCN(C(=O)c2cc(I)ccc2NC(=O)c2cccc3ccccc32)CC1 ZINC000016286369 523881523 /nfs/dbraw/zinc/88/15/23/523881523.db2.gz KWUHYPMSBXVAFQ-UHFFFAOYSA-N 0 0 499.352 4.084 50 0 JIAARN COc1ccc(CC(=O)N(CC(=O)N2CCn3cccc3[C@@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000033452970 523889958 /nfs/dbraw/zinc/88/99/58/523889958.db2.gz VPHJCAYIGXTXNC-MHZLTWQESA-N 0 0 463.553 4.047 50 0 JIAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1 ZINC000013610027 523893404 /nfs/dbraw/zinc/89/34/04/523893404.db2.gz CFSBIWWBEZVVQO-NZQKXSOJSA-N 0 0 458.530 4.088 50 0 JIAARN C=C1C(N2CCC(C(=O)Nc3cccc(OC)c3)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000008603465 523902097 /nfs/dbraw/zinc/90/20/97/523902097.db2.gz WMRZFJFUIMQBAK-UHFFFAOYSA-N 0 0 467.591 4.081 50 0 JIAARN COCCNC(=O)c1c2nc3ccccc3nc2n(Cc2ccccc2)c1NC(=O)c1ccccc1 ZINC000002308212 523921524 /nfs/dbraw/zinc/92/15/24/523921524.db2.gz HCJFLHDWWMRCCW-UHFFFAOYSA-N 0 0 479.540 4.261 50 0 JIAARN COCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3nc2SCc2cccc(F)c2)cc1 ZINC000012414613 523923833 /nfs/dbraw/zinc/92/38/33/523923833.db2.gz FNNQHURMPQVMQB-UHFFFAOYSA-N 0 0 477.561 4.252 50 0 JIAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1cccc(C)c1)n(Cc1ccccc1)c2=O ZINC000012414783 523926870 /nfs/dbraw/zinc/92/68/70/523926870.db2.gz BYHPXXYYEBICMJ-UHFFFAOYSA-N 0 0 473.598 4.422 50 0 JIAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1cccc(OC)c1)n(-c1cccc(F)c1)c2=O ZINC000033077578 523926956 /nfs/dbraw/zinc/92/69/56/523926956.db2.gz WGWNBGKKROTKNB-UHFFFAOYSA-N 0 0 493.560 4.202 50 0 JIAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1ccc(C)cc1)n(-c1cccc(OC)c1)c2=O ZINC000033077785 523927535 /nfs/dbraw/zinc/92/75/35/523927535.db2.gz VTHISXZEXJECNI-UHFFFAOYSA-N 0 0 489.597 4.371 50 0 JIAARN COc1ccc(CCN(C(=O)c2ccccc2)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000002193976 523939202 /nfs/dbraw/zinc/93/92/02/523939202.db2.gz LGIKLEFYJJSWGP-HSZRJFAPSA-N 0 0 462.933 4.366 50 0 JIAARN COc1ccc(CCNC(=O)C(=C/C=C\c2ccccc2)C(=O)NCCc2ccc(OC)cc2)cc1 ZINC000033689294 523952865 /nfs/dbraw/zinc/95/28/65/523952865.db2.gz KEHJTCSUSSBNAT-TWGQIWQCSA-N 0 0 484.596 4.361 50 0 JIAARN CN(C(=O)c1ccn(C)n1)[C@@H](Cc1ccccc1)C1CCN(C(=O)/C=C/c2cccs2)CC1 ZINC000012451542 523953330 /nfs/dbraw/zinc/95/33/30/523953330.db2.gz REABLYNIAHGYHR-LTDXDOBXSA-N 0 0 462.619 4.117 50 0 JIAARN COc1ccc(CCNC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)cc1OC ZINC000017051508 523959549 /nfs/dbraw/zinc/95/95/49/523959549.db2.gz YLYMLJSHCKGZPC-UHFFFAOYSA-N 0 0 462.575 4.173 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1OC ZINC000016601394 523969516 /nfs/dbraw/zinc/96/95/16/523969516.db2.gz WDZSYLPAPZSCBO-UHFFFAOYSA-N 0 0 492.956 4.270 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc(Oc3nccnc3N3CCC(C)CC3)cc2)cc1OC ZINC000033170783 523970298 /nfs/dbraw/zinc/97/02/98/523970298.db2.gz VKLVXPXNCFDUHP-UHFFFAOYSA-N 0 0 476.577 4.495 50 0 biogenic JIAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000036214633 523994948 /nfs/dbraw/zinc/99/49/48/523994948.db2.gz TYTYIOOXLOQVJX-FDDCHVKYSA-N 0 0 484.641 4.256 50 0 JIAARN CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)c1 ZINC000069639980 523999997 /nfs/dbraw/zinc/99/99/97/523999997.db2.gz MBJIUONNQYBSOQ-HNNXBMFYSA-N 0 0 486.494 4.018 50 0 JIAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(NCc4ccccc4OC)nc23)cc1 ZINC000020516412 524018176 /nfs/dbraw/zinc/01/81/76/524018176.db2.gz RRXSEBFCRZZUFG-UHFFFAOYSA-N 0 0 479.587 4.355 50 0 JIAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=CN2[C@@H]3C(=O)c2cccs2)cc1 ZINC000020463431 524020396 /nfs/dbraw/zinc/02/03/96/524020396.db2.gz BPVUKDFLTUMRHL-KIHHCIJBSA-N 0 0 470.550 4.151 50 0 JIAARN COc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021859424 524021589 /nfs/dbraw/zinc/02/15/89/524021589.db2.gz HFGWPQMCSUZQSE-NDEPHWFRSA-N 0 0 453.542 4.381 50 0 JIAARN CO[C@H]1[C@H](NC(=O)c2ccncc2)c2ccccc2C12CCN(C(=O)c1cccc(C)c1C)CC2 ZINC000014879476 524023094 /nfs/dbraw/zinc/02/30/94/524023094.db2.gz WUGMNEZJEMYQND-FTJBHMTQSA-N 0 0 469.585 4.372 50 0 JIAARN COc1ccc(CN2CCc3nc(SCC(=O)Nc4ccc(C)c(C)c4)[nH]c(=O)c3C2)cc1 ZINC000020467747 524039990 /nfs/dbraw/zinc/03/99/90/524039990.db2.gz WFZDLRZQYSLAMN-UHFFFAOYSA-N 0 0 464.591 4.097 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3c(NC(=O)C(C)C)c(C)nn3-c3ccccc3)CC2)cc1 ZINC000033069387 524046380 /nfs/dbraw/zinc/04/63/80/524046380.db2.gz IEKXUUIYDHHKQV-UHFFFAOYSA-N 0 0 489.620 4.317 50 0 JIAARN COc1ccc(CNC(=O)CSc2nccn2-c2cccc(C(=O)NCc3ccc(C)o3)c2)cc1 ZINC000033265026 524053637 /nfs/dbraw/zinc/05/36/37/524053637.db2.gz HDOHFMCEPFLFLM-UHFFFAOYSA-N 0 0 490.585 4.121 50 0 JIAARN COc1ccc(CNC(=O)CSc2ncnc3c4cc(Br)ccc4[nH]c32)cc1 ZINC000033298713 524053999 /nfs/dbraw/zinc/05/39/99/524053999.db2.gz DRIRJULCNWCKIO-UHFFFAOYSA-N 0 0 457.353 4.291 50 0 JIAARN COc1ccc(CNC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c(OC)c1 ZINC000021708434 524065989 /nfs/dbraw/zinc/06/59/89/524065989.db2.gz GTDAJQAXGHXZHQ-UHFFFAOYSA-N 0 0 480.586 4.085 50 0 JIAARN C[C@@H]1CCCCN1C(=O)c1cn(Cc2ccccn2)cc(C(=O)NC2CCCCCCC2)c1=O ZINC000012452288 524095005 /nfs/dbraw/zinc/09/50/05/524095005.db2.gz PYXINZRNUROPGE-HXUWFJFHSA-N 0 0 464.610 4.149 50 0 JIAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)[C@H](C)c2ccccc2)c1 ZINC000036073409 524099104 /nfs/dbraw/zinc/09/91/04/524099104.db2.gz BMVBRILRRJZQDJ-HSZRJFAPSA-N 0 0 476.621 4.117 50 0 JIAARN Cc1cccc(-c2nc(C3CCN(C(=O)[C@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)CC3)no2)c1 ZINC000033281832 524118784 /nfs/dbraw/zinc/11/87/84/524118784.db2.gz BBXQJVMVRNOEPK-QFIPXVFZSA-N 0 0 458.562 4.421 50 0 JIAARN COc1cccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1OC ZINC000012427955 524131498 /nfs/dbraw/zinc/13/14/98/524131498.db2.gz BFNKNSCHBVBMQH-QHCPKHFHSA-N 0 0 494.551 4.227 50 0 JIAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(Cl)c3C)c2=O)c1C ZINC000067218436 524137928 /nfs/dbraw/zinc/13/79/28/524137928.db2.gz FJZBHNPCPKIMAP-UHFFFAOYSA-N 0 0 453.951 4.431 50 0 JIAARN Cc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCc3ccccc3)C2)c1 ZINC000033302547 524138355 /nfs/dbraw/zinc/13/83/55/524138355.db2.gz CLJMBSXEOGRHGD-FQEVSTJZSA-N 0 0 458.587 4.288 50 0 JIAARN Cc1cccc(-n2nc(C(=O)Nc3ccccc3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)c1 ZINC000036087050 524146153 /nfs/dbraw/zinc/14/61/53/524146153.db2.gz KWEATHDXTUIISJ-UHFFFAOYSA-N 0 0 480.446 4.022 50 0 JIAARN C[C@@H](C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000036447678 524149284 /nfs/dbraw/zinc/14/92/84/524149284.db2.gz FCZHZBFSGXBYTO-AOMKIAJQSA-N 0 0 489.963 4.368 50 0 JIAARN COc1ccc(C[C@]2(CCC(=O)NC[C@@]3(c4ccccc4)CC3(C)C)CCC(=O)N2)c(F)c1 ZINC000014884138 524159055 /nfs/dbraw/zinc/15/90/55/524159055.db2.gz PECPQJATQLIDJV-RRPNLBNLSA-N 0 0 452.570 4.290 50 0 JIAARN Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2ccc(F)cc2)c(C)o1 ZINC000014823931 524161101 /nfs/dbraw/zinc/16/11/01/524161101.db2.gz NSMQUSMLOYJKMI-UHFFFAOYSA-N 0 0 474.510 4.101 50 0 JIAARN Cc1ccc(C)c(OCC(=O)Nc2ccccc2SCc2cc(=O)n3c(ncn3CC(C)C)n2)c1 ZINC000021797527 524168141 /nfs/dbraw/zinc/16/81/41/524168141.db2.gz UEBKADOTKHEFMY-UHFFFAOYSA-N 0 0 491.617 4.474 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C[C@@H](C(=O)c1ccc(Cl)cc1)c1nn2c(N)nnc2nc1[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000000623155 553712293 /nfs/dbraw/zinc/71/22/93/553712293.db2.gz HZGSRXDHESIEBW-NWDGAFQWSA-N 0 0 469.332 4.381 50 0 JIAARN COc1ccc(C(=O)Oc2cc(C)cc(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1OC ZINC000000624218 553713124 /nfs/dbraw/zinc/71/31/24/553713124.db2.gz CKHNYRUVCBSZTP-UHFFFAOYSA-N 0 0 452.459 4.468 50 0 biogenic JIAARN CCCc1c(C)c2ccc(OC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)cc2oc1=O ZINC000000627497 553715181 /nfs/dbraw/zinc/71/51/81/553715181.db2.gz YJWVNXRJLBVTEM-QHCPKHFHSA-N 0 0 471.575 4.271 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)c2ccc(F)cc2)cc1 ZINC000000628792 553716459 /nfs/dbraw/zinc/71/64/59/553716459.db2.gz UEFKYHKCLAJNEG-UHFFFAOYSA-N 0 0 497.592 4.354 50 0 JIAARN Cc1c(N[C@H](NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000000631790 553718561 /nfs/dbraw/zinc/71/85/61/553718561.db2.gz NXLMXXKAAHEUGP-XMMPIXPASA-N 0 0 474.948 4.189 50 0 JIAARN O=C(Nc1ccc(I)cc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000637059 553721590 /nfs/dbraw/zinc/72/15/90/553721590.db2.gz KZAHHQKRRLDJCV-FQEVSTJZSA-N 0 0 496.304 4.137 50 0 JIAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000000638118 553722155 /nfs/dbraw/zinc/72/21/55/553722155.db2.gz JNSBJNBGFAPIJJ-UHFFFAOYSA-N 0 0 473.529 4.129 50 0 JIAARN CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000000639452 553722838 /nfs/dbraw/zinc/72/28/38/553722838.db2.gz LURMWMMCMQASTK-UHFFFAOYSA-N 0 0 488.411 4.030 50 0 JIAARN Cc1ccc(N2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)cc1C ZINC000000644579 553725852 /nfs/dbraw/zinc/72/58/52/553725852.db2.gz CIDJBFJTEPUGLH-UHFFFAOYSA-N 0 0 488.245 4.339 50 0 JIAARN CCn1cc(CNC(=O)CCSc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)cn1 ZINC000000646530 553727522 /nfs/dbraw/zinc/72/75/22/553727522.db2.gz BGENTZXWQASTIM-UHFFFAOYSA-N 0 0 465.501 4.186 50 0 JIAARN Cc1nn(C)cc1CNC(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000000647183 553728295 /nfs/dbraw/zinc/72/82/95/553728295.db2.gz XJONITMKCCXTCB-UHFFFAOYSA-N 0 0 499.316 4.211 50 0 JIAARN CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc(OC)ccc1OC ZINC000000649313 553730651 /nfs/dbraw/zinc/73/06/51/553730651.db2.gz ZQWOIKCHPIUFCE-UHFFFAOYSA-N 0 0 455.584 4.275 50 0 JIAARN COc1cccc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000000652531 553733415 /nfs/dbraw/zinc/73/34/15/553733415.db2.gz YROXADWPDFIMIL-UHFFFAOYSA-N 0 0 475.364 4.292 50 0 JIAARN COc1ccc(-c2cc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)c3ccccc3n2)c(OC)c1 ZINC000000655370 553735862 /nfs/dbraw/zinc/73/58/62/553735862.db2.gz KGTJYISHPACFSH-QHCPKHFHSA-N 0 0 477.414 4.340 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccc(C)cc2)cc1Br ZINC000000656030 553736143 /nfs/dbraw/zinc/73/61/43/553736143.db2.gz XSLQJTKQERSYQW-UHFFFAOYSA-N 0 0 495.439 4.364 50 0 JIAARN COc1ccc(/C=C/C(=O)NCc2cn(C)nc2C)cc1COc1ccc(Br)cc1 ZINC000000656684 553736669 /nfs/dbraw/zinc/73/66/69/553736669.db2.gz UCBCPJLIKAKYAL-VZUCSPMQSA-N 0 0 470.367 4.408 50 0 JIAARN COc1ccc(N(CC(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)cc1OC ZINC000000667369 553743426 /nfs/dbraw/zinc/74/34/26/553743426.db2.gz KOCZLCJQVJKXJY-UHFFFAOYSA-N 0 0 472.588 4.260 50 0 JIAARN COc1cc(C=O)cc(I)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000668919 553744313 /nfs/dbraw/zinc/74/43/13/553744313.db2.gz LEGNAUXYZXVGOD-UHFFFAOYSA-N 0 0 479.192 4.149 50 0 JIAARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000673627 553746696 /nfs/dbraw/zinc/74/66/96/553746696.db2.gz GAZVRLGDUDCMCO-QFIPXVFZSA-N 0 0 458.474 4.264 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1 ZINC000000674010 553747299 /nfs/dbraw/zinc/74/72/99/553747299.db2.gz XEKYILDBIPCKMT-UHFFFAOYSA-N 0 0 457.118 4.406 50 0 JIAARN Cc1nn(C)cc1CNC(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000674123 553747575 /nfs/dbraw/zinc/74/75/75/553747575.db2.gz XUARHMYUNWZXHS-AAEUAGOBSA-N 0 0 458.897 4.230 50 0 JIAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1I ZINC000000676453 553750128 /nfs/dbraw/zinc/75/01/28/553750128.db2.gz WHHDCGIHQIPZGQ-UHFFFAOYSA-N 0 0 498.386 4.463 50 0 JIAARN COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)cc1 ZINC000000682572 553754599 /nfs/dbraw/zinc/75/45/99/553754599.db2.gz VVXLLEWECYRDQI-JTQLQIEISA-N 0 0 457.118 4.404 50 0 JIAARN CCSc1nnc2c(n1)O[C@@H](c1c(OC)cc(OC)cc1OC)N(C(C)=O)c1ccccc1-2 ZINC000000684209 553755212 /nfs/dbraw/zinc/75/52/12/553755212.db2.gz MPOAGIXKSIYFHC-QFIPXVFZSA-N 0 0 468.535 4.121 50 0 JIAARN CCC(=O)Oc1ccccc1[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC ZINC000000684264 553755223 /nfs/dbraw/zinc/75/52/23/553755223.db2.gz SOYUOSPOLVZNNL-QFIPXVFZSA-N 0 0 450.520 4.410 50 0 JIAARN CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000686472 553756535 /nfs/dbraw/zinc/75/65/35/553756535.db2.gz KGGZGQHNAQTSCD-UHFFFAOYSA-N 0 0 457.987 4.229 50 0 JIAARN Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2C)c1 ZINC000000687424 553757380 /nfs/dbraw/zinc/75/73/80/553757380.db2.gz RBYHIQCFXFEFON-SFHVURJKSA-N 0 0 451.596 4.271 50 0 JIAARN CCc1nc(C)nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1Cc1cccc(F)c1 ZINC000000698395 553760441 /nfs/dbraw/zinc/76/04/41/553760441.db2.gz GFDPXKAYCFXXPF-UHFFFAOYSA-N 0 0 489.016 4.242 50 0 JIAARN COc1ccc(Cc2nnc(NC(=O)c3cccc(I)c3)s2)cc1OC ZINC000000709323 553765439 /nfs/dbraw/zinc/76/54/39/553765439.db2.gz NHTCYHCFTRSCCI-UHFFFAOYSA-N 0 0 481.315 4.003 50 0 JIAARN CCN(CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1OC(=O)c1ccccc1 ZINC000000716260 553768688 /nfs/dbraw/zinc/76/86/88/553768688.db2.gz QWMOXMZBJLZUNN-UHFFFAOYSA-N 0 0 463.559 4.309 50 0 JIAARN O=S(=O)(c1nc(-c2ccccc2Br)oc1N1CCOCC1)c1ccc(Cl)cc1 ZINC000000730279 553775608 /nfs/dbraw/zinc/77/56/08/553775608.db2.gz QUZAXJJALYQHBF-UHFFFAOYSA-N 0 0 483.771 4.427 50 0 JIAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccncc4)cs3)cc2)C1 ZINC000000755255 553777686 /nfs/dbraw/zinc/77/76/86/553777686.db2.gz BXXJCUKLNLPABX-HOTGVXAUSA-N 0 0 456.593 4.124 50 0 JIAARN CC(=O)Nc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000000777969 553778248 /nfs/dbraw/zinc/77/82/48/553778248.db2.gz OJWQPRAMUNPWRX-INIZCTEOSA-N 0 0 459.786 4.058 50 0 JIAARN COc1ccc(-n2c(SCC(=O)NCc3ccccc3)nc3sc(C)c(C)c3c2=O)cc1 ZINC000000793622 553782131 /nfs/dbraw/zinc/78/21/31/553782131.db2.gz RULJEFPAZNGJKC-UHFFFAOYSA-N 0 0 465.600 4.481 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(OC)cc2OC)sc1NC(=O)c1ccco1 ZINC000000812892 553785299 /nfs/dbraw/zinc/78/52/99/553785299.db2.gz MYSJXNBKNWUKOY-UHFFFAOYSA-N 0 0 458.492 4.348 50 0 JIAARN CCOC(=O)c1sc(N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)c(C(=O)OCC)c1C ZINC000000822183 553786708 /nfs/dbraw/zinc/78/67/08/553786708.db2.gz XLYUAAZEZNTDOF-INIZCTEOSA-N 0 0 473.806 4.290 50 0 JIAARN CCCS(=O)(=O)c1c(C(=O)c2ccc(C)cc2)n2cc(C)cc(C)c2c1S(=O)(=O)CCC ZINC000000831982 553790728 /nfs/dbraw/zinc/79/07/28/553790728.db2.gz JIFBBEGLFYXKFZ-UHFFFAOYSA-N 0 0 475.632 4.463 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(C)=O)c2)c2ccc(C)cc2)cc1OC ZINC000000854511 553799679 /nfs/dbraw/zinc/79/96/79/553799679.db2.gz IADVZFIPEMYSKY-UHFFFAOYSA-N 0 0 482.558 4.049 50 0 JIAARN COc1ccc(N(Cc2ccc(C(=O)NCc3ccccn3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000878875 553814748 /nfs/dbraw/zinc/81/47/48/553814748.db2.gz ARIYBTYHRZZPBO-UHFFFAOYSA-N 0 0 487.581 4.416 50 0 JIAARN COc1ccccc1CNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000880207 553817129 /nfs/dbraw/zinc/81/71/29/553817129.db2.gz KPROQYHMTHMBIO-UHFFFAOYSA-N 0 0 458.967 4.169 50 0 JIAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1cnn2c1N[C@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F ZINC000000884670 553822791 /nfs/dbraw/zinc/82/27/91/553822791.db2.gz PEFBSPJBWGCVFB-PMACEKPBSA-N 0 0 460.504 4.474 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2C)cc1OC ZINC000000890193 553827301 /nfs/dbraw/zinc/82/73/01/553827301.db2.gz AQGMCSRLBFAPCG-UHFFFAOYSA-N 0 0 452.458 4.249 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)Nc3cn(C)nc3C)n2)cc1 ZINC000000920547 553853575 /nfs/dbraw/zinc/85/35/75/553853575.db2.gz IBMPXWQACTZKTO-UHFFFAOYSA-N 0 0 451.474 4.334 50 0 JIAARN O=C(Cn1nnc2ccccc21)N(Cc1ccco1)[C@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 ZINC000000931959 553870648 /nfs/dbraw/zinc/87/06/48/553870648.db2.gz VOBDQVQUWFBOAE-MHZLTWQESA-N 0 0 497.530 4.250 50 0 JIAARN Cc1c(C(=O)Nc2ccccc2)sc2ncn([C@@H](C)C(=O)Nc3ccc(F)cc3)c(=O)c12 ZINC000000937711 553874843 /nfs/dbraw/zinc/87/48/43/553874843.db2.gz BVTKOZJEWSGAFT-AWEZNQCLSA-N 0 0 450.495 4.358 50 0 JIAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)Nc1ccccc1C(F)(F)F ZINC000000950527 553881002 /nfs/dbraw/zinc/88/10/02/553881002.db2.gz HYEWEDYHOLZNPY-UHFFFAOYSA-N 0 0 496.441 4.340 50 0 JIAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(N3C(=O)c4ccccc4C3=O)cc1)CCCC2 ZINC000000951149 553881282 /nfs/dbraw/zinc/88/12/82/553881282.db2.gz RYNLQHRSHRUOAK-UHFFFAOYSA-N 0 0 460.511 4.466 50 0 JIAARN CCOC(=O)c1c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)sc2c1CC[C@H](C)C2 ZINC000000951577 553881566 /nfs/dbraw/zinc/88/15/66/553881566.db2.gz YTRCQRBFYZXVGK-ZDUSSCGKSA-N 0 0 455.532 4.482 50 0 biogenic JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1OCc1ccccc1 ZINC000000954711 553882874 /nfs/dbraw/zinc/88/28/74/553882874.db2.gz ZQZMOFZJXAVBIS-DEOSSOPVSA-N 0 0 468.517 4.188 50 0 JIAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1Br ZINC000000954924 553882878 /nfs/dbraw/zinc/88/28/78/553882878.db2.gz UCDKTGKUUVYYKT-UHFFFAOYSA-N 0 0 480.355 4.395 50 0 JIAARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccnc2)ccc1OCc1ccccc1 ZINC000000956685 553884327 /nfs/dbraw/zinc/88/43/27/553884327.db2.gz NVOZTFBSBBFHPS-HSZRJFAPSA-N 0 0 460.559 4.101 50 0 JIAARN COc1ccccc1-n1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccncc1 ZINC000000977050 553889353 /nfs/dbraw/zinc/88/93/53/553889353.db2.gz LEYCDLIYVPEQDL-UHFFFAOYSA-N 0 0 459.531 4.271 50 0 JIAARN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccc(Br)c1 ZINC000000979449 553890464 /nfs/dbraw/zinc/89/04/64/553890464.db2.gz UPAWMFRYKNGMJE-UHFFFAOYSA-N 0 0 473.392 4.321 50 0 JIAARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C1=O ZINC000000980923 553891022 /nfs/dbraw/zinc/89/10/22/553891022.db2.gz AXQKXRRQUVKJKI-RANIVTSPSA-N 0 0 495.532 4.407 50 0 JIAARN O=C(Nc1ccc2c(c1)OCCO2)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl ZINC000000990408 553894858 /nfs/dbraw/zinc/89/48/58/553894858.db2.gz RANXMAFCHKSQIE-UHFFFAOYSA-N 0 0 471.362 4.192 50 0 JIAARN Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)OCC(=O)c3cccs3)cc1)C2=O ZINC000001099273 553907551 /nfs/dbraw/zinc/90/75/51/553907551.db2.gz JYGVKCBVTXYJDX-UHFFFAOYSA-N 0 0 456.479 4.445 50 0 JIAARN COc1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1Cl ZINC000001174483 553925118 /nfs/dbraw/zinc/92/51/18/553925118.db2.gz VRYUFWSZOYGTBD-UHFFFAOYSA-N 0 0 471.284 4.426 50 0 JIAARN CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2ccccc2I)c1 ZINC000001183461 553929705 /nfs/dbraw/zinc/92/97/05/553929705.db2.gz SDSPYVNUJKLQGS-UHFFFAOYSA-N 0 0 454.333 4.421 50 0 JIAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)N(CCCc2ccccc2)C1=S ZINC000001185341 553930281 /nfs/dbraw/zinc/93/02/81/553930281.db2.gz BIMBMDYDLFFWAE-LJQANCHMSA-N 0 0 474.424 4.228 50 0 JIAARN COc1ccccc1NC(=O)[C@H](C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000001785343 553989160 /nfs/dbraw/zinc/98/91/60/553989160.db2.gz ZAUJSRUUQOAMDF-HNNXBMFYSA-N 0 0 493.585 4.393 50 0 JIAARN C[C@H](Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1)C(=O)Nc1ccccc1 ZINC000001785346 553989194 /nfs/dbraw/zinc/98/91/94/553989194.db2.gz QZOMAGBGRIZGGD-HNNXBMFYSA-N 0 0 463.559 4.384 50 0 JIAARN O=C(Nc1ccccc1O)c1ccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000001953607 554006901 /nfs/dbraw/zinc/00/69/01/554006901.db2.gz WVSSQBBKICZFQC-UHFFFAOYSA-N 0 0 461.905 4.118 50 0 JIAARN COc1cc(-c2cc(=O)c3cc(OCC(=O)NC4CCCCC4)ccc3o2)cc(OC)c1OC ZINC000001978138 554008269 /nfs/dbraw/zinc/00/82/69/554008269.db2.gz VMPZSBSETDXPSI-UHFFFAOYSA-N 0 0 467.518 4.314 50 0 JIAARN COC(=O)[C@@](NNc1ccc(C)c(C)c1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000002050377 554010827 /nfs/dbraw/zinc/01/08/27/554010827.db2.gz HWBRCQNGJNKPQS-SFHVURJKSA-N 0 0 464.271 4.388 50 0 JIAARN Cc1ccc(S(=O)(=O)NCCCC(=O)Oc2ccc3c(=O)cc(-c4ccccc4)oc3c2)cc1 ZINC000002090646 554034546 /nfs/dbraw/zinc/03/45/46/554034546.db2.gz BWFZDZBDUFJERT-UHFFFAOYSA-N 0 0 477.538 4.433 50 0 biogenic JIAARN O=C1CN(C[C@@H](O)c2ccccc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](CCc3ccccc3)N12 ZINC000002094349 554038158 /nfs/dbraw/zinc/03/81/58/554038158.db2.gz VWBDAIDVIJWGOX-GMQQYTKMSA-N 0 0 479.580 4.171 50 0 biogenic JIAARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002095092 554039553 /nfs/dbraw/zinc/03/95/53/554039553.db2.gz COEIXXNOSBKRKI-XDHUDOTRSA-N 0 0 483.586 4.279 50 0 JIAARN COc1ccc(-c2cc(=O)oc3cc(OC(=O)CCNS(=O)(=O)c4ccc(C)cc4)ccc32)cc1 ZINC000002096172 554040593 /nfs/dbraw/zinc/04/05/93/554040593.db2.gz RFRVHNLWKYSHMJ-UHFFFAOYSA-N 0 0 493.537 4.051 50 0 biogenic JIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)CC(=O)N32)c1OC ZINC000002098790 554041772 /nfs/dbraw/zinc/04/17/72/554041772.db2.gz CSGNPQAKKLDMQI-NVQXNPDNSA-N 0 0 473.573 4.203 50 0 biogenic JIAARN CCCCCN1CC(=O)N2[C@H](c3ccc(OC)c(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002099259 554042011 /nfs/dbraw/zinc/04/20/11/554042011.db2.gz OKQNFQFFQWGQMG-HFZDXXHNSA-N 0 0 461.562 4.060 50 0 biogenic JIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N23)c(OC)c1 ZINC000002101732 554042938 /nfs/dbraw/zinc/04/29/38/554042938.db2.gz PGJLPDRUWGVTOE-RBJSKKJNSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3ccccc3F)CC(=O)N21 ZINC000002111732 554050474 /nfs/dbraw/zinc/05/04/74/554050474.db2.gz UZURJEIYGBSRGW-CUBQBAPOSA-N 0 0 483.543 4.243 50 0 biogenic JIAARN CCCCc1ccc(NC(=O)[C@@H](NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)[C@H](C)CC)cc1 ZINC000002133090 554060935 /nfs/dbraw/zinc/06/09/35/554060935.db2.gz DDUCALYSAOIHKI-QSAXNBNMSA-N 0 0 478.637 4.373 50 0 biogenic JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccccc2)cc1 ZINC000002136697 554062048 /nfs/dbraw/zinc/06/20/48/554062048.db2.gz WUPNESHBXJIFRO-SFQUDFHCSA-N 0 0 451.573 4.038 50 0 JIAARN O=C(NC(=O)c1cnn2c1nc(C(F)(F)F)cc2C(F)(F)F)Nc1ccc(Cl)cc1 ZINC000002142211 554064376 /nfs/dbraw/zinc/06/43/76/554064376.db2.gz KBOHPXDAPJREJB-UHFFFAOYSA-N 0 0 451.714 4.382 50 0 JIAARN O=C(/C=C/c1cccs1)NC(=S)Nc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1 ZINC000002146132 554066254 /nfs/dbraw/zinc/06/62/54/554066254.db2.gz UYTLRCBSFPGWPF-UXBLZVDNSA-N 0 0 479.555 4.354 50 0 JIAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)N32)cc1 ZINC000002148481 554067827 /nfs/dbraw/zinc/06/78/27/554067827.db2.gz LFQRWJOYARGBRD-NVQXNPDNSA-N 0 0 481.508 4.431 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Oc2cc3oc(=O)cc(C)c3cc2Cl)cc1 ZINC000002152115 554070490 /nfs/dbraw/zinc/07/04/90/554070490.db2.gz GLISXEVAJKDEOP-IBGZPJMESA-N 0 0 477.966 4.362 50 0 biogenic JIAARN CCCCN1CC(=O)N2[C@H](c3ccc(Br)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002152691 554070818 /nfs/dbraw/zinc/07/08/18/554070818.db2.gz QENHFZIYVBWLRO-NZQKXSOJSA-N 0 0 466.379 4.415 50 0 biogenic JIAARN COc1ccc(CN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3cccc(C)c3)C2=O)cc1 ZINC000002158043 554073398 /nfs/dbraw/zinc/07/33/98/554073398.db2.gz JXSXZIYWHWZDKG-LSYYVWMOSA-N 0 0 465.553 4.370 50 0 biogenic JIAARN CC(C)Oc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N ZINC000002170527 554076339 /nfs/dbraw/zinc/07/63/39/554076339.db2.gz INDSZNOWWYTOBB-UHFFFAOYSA-N 0 0 452.367 4.484 50 0 JIAARN CCOc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000002174885 554077288 /nfs/dbraw/zinc/07/72/88/554077288.db2.gz ZKXWZXYPBMFRLG-DEDYPNTBSA-N 0 0 467.474 4.337 50 0 JIAARN CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc3c(c2)OCO3)N1c1ccc(N2CCOCC2)cc1 ZINC000002189084 554084845 /nfs/dbraw/zinc/08/48/45/554084845.db2.gz QETWBOAWUHICLD-HHHXNRCGSA-N 0 0 470.529 4.180 50 0 JIAARN COc1cccc(N2CCN(C(=O)c3cnn4c3N[C@@H](c3ccco3)C[C@@H]4C(F)(F)F)CC2)c1 ZINC000002194672 554088626 /nfs/dbraw/zinc/08/86/26/554088626.db2.gz BZZBSTSWUJILQC-UYAOXDASSA-N 0 0 475.471 4.107 50 0 JIAARN CCOC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(C(=O)OC)=NN2c2ccc(OC)cc2)S1 ZINC000002202227 554091615 /nfs/dbraw/zinc/09/16/15/554091615.db2.gz ZGFDDUJTABRLIM-QHCPKHFHSA-N 0 0 485.587 4.394 50 0 JIAARN CC(=O)Nc1ccc(-n2c(N)c(S(=O)(=O)c3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002219900 554100291 /nfs/dbraw/zinc/10/02/91/554100291.db2.gz QOGJFUPPDFXJFK-UHFFFAOYSA-N 0 0 471.542 4.256 50 0 JIAARN CCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(N3C[C@H](C)O[C@@H](C)C3)c2cc1OC ZINC000002231141 554105291 /nfs/dbraw/zinc/10/52/91/554105291.db2.gz SBALXOUCUWOAJC-HOTGVXAUSA-N 0 0 453.539 4.335 50 0 JIAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccc(OC)c(OC)c3)N2C1=O ZINC000002250043 554114475 /nfs/dbraw/zinc/11/44/75/554114475.db2.gz UDEDYAUDDUXKKX-UNMCSNQZSA-N 0 0 466.559 4.486 50 0 JIAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002268893 554125838 /nfs/dbraw/zinc/12/58/38/554125838.db2.gz DGKFSKZWEWQGEO-YPKVGQCMSA-N 0 0 484.552 4.075 50 0 JIAARN Cc1cccc(-n2c(N)c(C(=O)NCc3ccc4c(c3)OCO4)c3nc4ccccc4nc32)c1 ZINC000002290431 554134671 /nfs/dbraw/zinc/13/46/71/554134671.db2.gz WKQFKZRIWNAYMZ-UHFFFAOYSA-N 0 0 451.486 4.123 50 0 JIAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CC=C(c2ccc(F)cc2)CC1 ZINC000002292843 554136495 /nfs/dbraw/zinc/13/64/95/554136495.db2.gz BEOAHOZWGSWQDS-UHFFFAOYSA-N 0 0 451.498 4.220 50 0 JIAARN C[C@H]1CCc2c(sc3c2c(=O)n(C)c2nnc(SCC(=O)c4ccc(Cl)cc4)n32)C1 ZINC000002298617 554138414 /nfs/dbraw/zinc/13/84/14/554138414.db2.gz OXQOAGXFKAIORO-NSHDSACASA-N 0 0 458.996 4.396 50 0 JIAARN COC(=O)[C@](NC(=O)Nc1cc(Cl)ccc1OC)(Oc1ccc(F)cc1)C(F)(F)F ZINC000002316914 554145980 /nfs/dbraw/zinc/14/59/80/554145980.db2.gz FOABBCVVMFMIGH-KRWDZBQOSA-N 0 0 450.772 4.120 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(C)cc2)cc1OC ZINC000002330656 554151415 /nfs/dbraw/zinc/15/14/15/554151415.db2.gz HYJPLSHJQOLGPG-UHFFFAOYSA-N 0 0 461.547 4.386 50 0 JIAARN C[C@H](C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O ZINC000002331126 554151439 /nfs/dbraw/zinc/15/14/39/554151439.db2.gz OBTOTBSUBPXLHS-QVKFZJNVSA-N 0 0 463.331 4.339 50 0 JIAARN CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccc(Br)cc1 ZINC000002341148 554155968 /nfs/dbraw/zinc/15/59/68/554155968.db2.gz CXUOJHLJMWTHMJ-GOSISDBHSA-N 0 0 473.392 4.384 50 0 JIAARN CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3c(F)cc(F)cc3Br)n2N)c1 ZINC000002371248 554170754 /nfs/dbraw/zinc/17/07/54/554170754.db2.gz XYZPUNCOGKKVII-UHFFFAOYSA-N 0 0 498.353 4.218 50 0 JIAARN CCOC(=O)CSc1nnc2n1c1c(c(=O)n2Cc2ccccc2)[C@@](C)(CC)Cc2ccccc2-1 ZINC000002393454 554180425 /nfs/dbraw/zinc/18/04/25/554180425.db2.gz ZPOCHMNILPAXAD-MHZLTWQESA-N 0 0 488.613 4.485 50 0 JIAARN O=S(=O)(c1cccc(Cl)c1)N1CN(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002400339 554185480 /nfs/dbraw/zinc/18/54/80/554185480.db2.gz ISJKOPSEYLSNAG-UHFFFAOYSA-N 0 0 480.933 4.185 50 0 JIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002419749 554197549 /nfs/dbraw/zinc/19/75/49/554197549.db2.gz PCUWMGZJRSWGRU-JXFKEZNVSA-N 0 0 498.329 4.066 50 0 JIAARN COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nncs2)cc1OC ZINC000002435356 554207110 /nfs/dbraw/zinc/20/71/10/554207110.db2.gz MVHYBXCEMYCYRS-QGZVFWFLSA-N 0 0 455.879 4.065 50 0 JIAARN COc1cc(/C=C2\N=C(c3cccc(I)c3)OC2=O)cc(Cl)c1OC(C)=O ZINC000002436778 554208141 /nfs/dbraw/zinc/20/81/41/554208141.db2.gz QJOAYTJTRXRCCW-CHHVJCJISA-N 0 0 497.672 4.223 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2-c2ccc(OC)cc2)cc1 ZINC000002446328 554213527 /nfs/dbraw/zinc/21/35/27/554213527.db2.gz IOUQNXCIILANSV-UHFFFAOYSA-N 0 0 490.541 4.411 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC)n2Cc2ccco2)cc1 ZINC000002453109 554220252 /nfs/dbraw/zinc/22/02/52/554220252.db2.gz FWMSULLIVWCWIE-UHFFFAOYSA-N 0 0 450.520 4.334 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1OC ZINC000002454066 554221436 /nfs/dbraw/zinc/22/14/36/554221436.db2.gz MJXBCSBMBHVZRT-UHFFFAOYSA-N 0 0 450.520 4.334 50 0 JIAARN COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nc(C)cs3)c2)cc1Cl ZINC000002619788 554244438 /nfs/dbraw/zinc/24/44/38/554244438.db2.gz ZVIROAATNGAXAV-UHFFFAOYSA-N 0 0 481.983 4.200 50 0 JIAARN Cc1ccc(OCc2nc(SCc3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)n[nH]2)cc1 ZINC000002620668 554245455 /nfs/dbraw/zinc/24/54/55/554245455.db2.gz YVSHAESGJPNSKL-ZDUSSCGKSA-N 0 0 453.593 4.407 50 0 JIAARN COc1cc2c(cc1NC(=O)CN1C(=O)N[C@H](Cc3c[nH]c4ccccc34)C1=O)oc1ccccc12 ZINC000002622815 554246863 /nfs/dbraw/zinc/24/68/63/554246863.db2.gz UVDJCMKKFZWLPW-OAQYLSRUSA-N 0 0 482.496 4.178 50 0 JIAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)NCCc1ccccc1 ZINC000002623722 554247943 /nfs/dbraw/zinc/24/79/43/554247943.db2.gz MWDVTHKYACEFIT-UHFFFAOYSA-N 0 0 458.543 4.114 50 0 JIAARN C[C@@H](c1nnc(SCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)n1-c1ccc(F)cc1)N(C)C ZINC000002625100 554249111 /nfs/dbraw/zinc/24/91/11/554249111.db2.gz BNLBCNCQDVYHPX-VIFPVBQESA-N 0 0 489.445 4.455 50 0 JIAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1S[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000002629326 554252052 /nfs/dbraw/zinc/25/20/52/554252052.db2.gz GZSGVNULAJWNLD-NEPJUHHUSA-N 0 0 467.378 4.425 50 0 JIAARN O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1ccc(I)cc1 ZINC000002630558 554252928 /nfs/dbraw/zinc/25/29/28/554252928.db2.gz YAYBEWPOTKTQFR-UHFFFAOYSA-N 0 0 463.193 4.034 50 0 JIAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)O[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)cc12 ZINC000002633981 554255040 /nfs/dbraw/zinc/25/50/40/554255040.db2.gz INASXXKNUQQGNJ-CQSZACIVSA-N 0 0 481.505 4.125 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1C ZINC000002646857 554264165 /nfs/dbraw/zinc/26/41/65/554264165.db2.gz ZPBLDHQDCFLNGM-UHFFFAOYSA-N 0 0 472.501 4.096 50 0 JIAARN CCOc1ccccc1-n1c(=O)c2ccccc2nc1SCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000002649054 554265601 /nfs/dbraw/zinc/26/56/01/554265601.db2.gz UMSJOKPVYCZMRQ-UHFFFAOYSA-N 0 0 487.537 4.090 50 0 JIAARN O=c1cc(CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)nc2sccn21 ZINC000002651348 554267495 /nfs/dbraw/zinc/26/74/95/554267495.db2.gz OOYSNOFFXRTJDZ-UHFFFAOYSA-N 0 0 456.936 4.053 50 0 JIAARN Cc1cc(C)c(NC(=O)CCCOC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c(C)c1 ZINC000002654236 554270052 /nfs/dbraw/zinc/27/00/52/554270052.db2.gz RXLJVTKZZCNFEO-UHFFFAOYSA-N 0 0 484.574 4.259 50 0 JIAARN COCCn1c(SCC(=O)NCCC2=CCCCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000002655223 554271100 /nfs/dbraw/zinc/27/11/00/554271100.db2.gz VUMVQJISGBSDTI-UHFFFAOYSA-N 0 0 461.653 4.082 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1C ZINC000002659210 554273506 /nfs/dbraw/zinc/27/35/06/554273506.db2.gz UOMQWNYPBGMXEF-UHFFFAOYSA-N 0 0 463.603 4.173 50 0 JIAARN Nn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)N[C@H]1CCCc2ccccc21 ZINC000002661646 554274999 /nfs/dbraw/zinc/27/49/99/554274999.db2.gz HKLIITOCVGNPNT-IBGZPJMESA-N 0 0 462.600 4.125 50 0 JIAARN CCn1c(SCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)nnc1-c1ccccc1OC ZINC000002664926 554278026 /nfs/dbraw/zinc/27/80/26/554278026.db2.gz MZJGHUDDVZXJTM-UHFFFAOYSA-N 0 0 453.593 4.443 50 0 JIAARN Cc1ccc(-c2csc3nnc(SCC(=O)Nc4sc5c(c4C(N)=O)CCC5)n23)cc1 ZINC000002679328 554281170 /nfs/dbraw/zinc/28/11/70/554281170.db2.gz ZVWIYSJXLXZVAW-UHFFFAOYSA-N 0 0 469.617 4.146 50 0 JIAARN CSc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccc(C)cc4)c(=O)n32)cc1 ZINC000002680759 554281836 /nfs/dbraw/zinc/28/18/36/554281836.db2.gz SHULXDXZAJGYSK-MGSPXPDISA-N 0 0 492.666 4.465 50 0 JIAARN Cc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1cccc(Cl)c1 ZINC000002690377 554285718 /nfs/dbraw/zinc/28/57/18/554285718.db2.gz BVZUJNVHHOHOPN-UHFFFAOYSA-N 0 0 466.946 4.435 50 0 JIAARN CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(OC)c(OC)cc32)cc1 ZINC000002690726 554285941 /nfs/dbraw/zinc/28/59/41/554285941.db2.gz HWQQRONOOMDJSB-UHFFFAOYSA-N 0 0 486.524 4.287 50 0 JIAARN COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000002690789 554286220 /nfs/dbraw/zinc/28/62/20/554286220.db2.gz RVFULEQWGHVDOM-UHFFFAOYSA-N 0 0 490.487 4.036 50 0 JIAARN Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3ccccc32)cc1Cl ZINC000002691004 554286424 /nfs/dbraw/zinc/28/64/24/554286424.db2.gz HOKFIMJIFFYEEH-UHFFFAOYSA-N 0 0 466.946 4.435 50 0 JIAARN CCOc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1 ZINC000002691686 554287710 /nfs/dbraw/zinc/28/77/10/554287710.db2.gz ALGGRCFFLOUFEM-UHFFFAOYSA-N 0 0 498.507 4.150 50 0 JIAARN COc1cc2c(cc1OC)n(Cc1ccc(C)cc1)cc(S(=O)(=O)c1ccc(F)cc1)c2=O ZINC000002691998 554288349 /nfs/dbraw/zinc/28/83/49/554288349.db2.gz XURHQYMNQXCRRV-UHFFFAOYSA-N 0 0 467.518 4.347 50 0 JIAARN COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3cccc(C)c3)c3ccc(Cl)cc3c2=O)cc1 ZINC000002693243 554290045 /nfs/dbraw/zinc/29/00/45/554290045.db2.gz VQASZSSQZQHYAJ-UHFFFAOYSA-N 0 0 496.972 4.443 50 0 JIAARN CCc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)C)cc3)c(O)n2)c1 ZINC000002693293 554290273 /nfs/dbraw/zinc/29/02/73/554290273.db2.gz UPIBHDHMPVARLL-UHFFFAOYSA-N 0 0 471.604 4.432 50 0 JIAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(NCc2ccc(F)cc2)c2ccccc23)cc1 ZINC000002693686 554290896 /nfs/dbraw/zinc/29/08/96/554290896.db2.gz XFGOJDLAFWHEQP-UHFFFAOYSA-N 0 0 461.522 4.424 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)c(OC)c1 ZINC000002698966 554293495 /nfs/dbraw/zinc/29/34/95/554293495.db2.gz GNZZWPTVAIUVIX-UHFFFAOYSA-N 0 0 461.547 4.386 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(Cl)c(Cl)c2)cc1 ZINC000002711724 554297295 /nfs/dbraw/zinc/29/72/95/554297295.db2.gz OQOOCECFNWVXRZ-UHFFFAOYSA-N 0 0 458.392 4.246 50 0 JIAARN COCCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1cccc(C(F)(F)F)c1 ZINC000002718183 554303620 /nfs/dbraw/zinc/30/36/20/554303620.db2.gz FXDSWGKULBJHJL-IBGZPJMESA-N 0 0 484.540 4.222 50 0 JIAARN O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)Nc1nc(-c2ccccc2)cs1 ZINC000002720498 554305478 /nfs/dbraw/zinc/30/54/78/554305478.db2.gz DMYQKVDMCHNVTR-KRWDZBQOSA-N 0 0 452.517 4.436 50 0 JIAARN Cc1nnc(NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2cc(C)cc(C)c2)s1 ZINC000002720697 554306082 /nfs/dbraw/zinc/30/60/82/554306082.db2.gz 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/nfs/dbraw/zinc/65/27/37/554652737.db2.gz AVUAUPNESUURER-INIZCTEOSA-N 0 0 496.280 4.286 50 0 JIAARN Cc1cc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)no1 ZINC000008753889 554655706 /nfs/dbraw/zinc/65/57/06/554655706.db2.gz LIISNSUABZDCAW-UHFFFAOYSA-N 0 0 487.887 4.485 50 0 JIAARN COCCn1c(SCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nc2sc(C)c(C)c2c1=O ZINC000008770174 554670571 /nfs/dbraw/zinc/67/05/71/554670571.db2.gz VIAWFFQHIZILFQ-UHFFFAOYSA-N 0 0 497.646 4.255 50 0 JIAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)Cc3coc4cc(C)ccc34)C2=O)cc1OC ZINC000008774442 554673385 /nfs/dbraw/zinc/67/33/85/554673385.db2.gz GPTVHRUZLXHWLO-UUYOSTAYSA-N 0 0 480.542 4.154 50 0 JIAARN COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC ZINC000008789525 554681932 /nfs/dbraw/zinc/68/19/32/554681932.db2.gz VNKCHUMFJCPYPJ-NOOLENRPSA-N 0 0 468.594 4.328 50 0 biogenic JIAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@@H](C)CC ZINC000008791603 554684659 /nfs/dbraw/zinc/68/46/59/554684659.db2.gz FQVNLDHNHVWMJG-RBGADFOESA-N 0 0 486.616 4.083 50 0 biogenic JIAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000008809418 554688218 /nfs/dbraw/zinc/68/82/18/554688218.db2.gz JUUMWLVNGDSKAG-KJCVZQOOSA-N 0 0 485.392 4.380 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c(C)c1 ZINC000008813376 554695699 /nfs/dbraw/zinc/69/56/99/554695699.db2.gz JKKCPBMNWJJMRF-UHFFFAOYSA-N 0 0 483.678 4.045 50 0 JIAARN COC(=O)C1=C(C)N=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2[C@H]1c1ccccc1 ZINC000008818851 554702636 /nfs/dbraw/zinc/70/26/36/554702636.db2.gz FXYLJOWZWRNUJY-HKUYNNGSSA-N 0 0 471.376 4.494 50 0 JIAARN O=C(COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cc(C(F)(F)F)ccc1Cl ZINC000008824784 554712160 /nfs/dbraw/zinc/71/21/60/554712160.db2.gz AMPSVOMGFGHVAV-UHFFFAOYSA-N 0 0 472.891 4.173 50 0 JIAARN CCOc1ccc(-n2c(SCC(=O)NC(=O)NC)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000008824988 554712725 /nfs/dbraw/zinc/71/27/25/554712725.db2.gz MEZHPOJBTBMJFN-UHFFFAOYSA-N 0 0 467.595 4.178 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(C3CC3)s2)c1 ZINC000008825067 554713056 /nfs/dbraw/zinc/71/30/56/554713056.db2.gz DICKGVQVXXOTBB-UHFFFAOYSA-N 0 0 462.984 4.142 50 0 JIAARN Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)c2ccc(Br)cc2)n1C ZINC000008828884 554719238 /nfs/dbraw/zinc/71/92/38/554719238.db2.gz VNSLARAHMLSHGX-UHFFFAOYSA-N 0 0 459.369 4.042 50 0 JIAARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCCC3)c2)o1)c1ccccc1 ZINC000008843956 554741103 /nfs/dbraw/zinc/74/11/03/554741103.db2.gz WCABOFOMIQPQRN-UHFFFAOYSA-N 0 0 457.577 4.276 50 0 JIAARN COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000008846102 554744402 /nfs/dbraw/zinc/74/44/02/554744402.db2.gz HRJQGHKHKFYFGY-QHCPKHFHSA-N 0 0 472.497 4.268 50 0 JIAARN CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)c1 ZINC000008849291 554746590 /nfs/dbraw/zinc/74/65/90/554746590.db2.gz VLGBFRSJAWEMEQ-OAQYLSRUSA-N 0 0 499.036 4.425 50 0 JIAARN O=C(CSc1nc(CC(=O)NCc2c(F)cccc2F)cs1)Nc1ccc(F)cc1 ZINC000008852137 554748731 /nfs/dbraw/zinc/74/87/31/554748731.db2.gz HHGKOPOYAOQMQH-UHFFFAOYSA-N 0 0 451.495 4.150 50 0 JIAARN CCOC(=O)Nc1ccc2c(COC(=O)c3ccc(OC(F)F)c(OC)c3)cc(=O)oc2c1 ZINC000008854305 554749807 /nfs/dbraw/zinc/74/98/07/554749807.db2.gz KJPJTXSDVPRGCM-UHFFFAOYSA-N 0 0 463.389 4.328 50 0 JIAARN O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1cc(Cl)cc(Cl)c1 ZINC000008855214 554750755 /nfs/dbraw/zinc/75/07/55/554750755.db2.gz ZZYZDNGAVFFXQF-UHFFFAOYSA-N 0 0 499.350 4.436 50 0 aggregator JIAARN COc1ccc(NC(=O)[C@@H](Sc2nnc(Cc3ccccc3F)n2N)c2ccccc2)cc1 ZINC000008855915 554751653 /nfs/dbraw/zinc/75/16/53/554751653.db2.gz QVBGASUEXAGGCQ-QFIPXVFZSA-N 0 0 463.538 4.203 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3C(=O)N[C@](C)(c4ccc(C)cc4)C3=O)[C@@H](c3ccco3)C2)cc1 ZINC000008862166 554759678 /nfs/dbraw/zinc/75/96/78/554759678.db2.gz MOZNBBRZVQZBLQ-AJTFRIOCSA-N 0 0 470.529 4.041 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1 ZINC000008862260 554759893 /nfs/dbraw/zinc/75/98/93/554759893.db2.gz WSLWKVWIPHYUFR-UHFFFAOYSA-N 0 0 457.558 4.231 50 0 JIAARN COCCNc1nnc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)s1 ZINC000008862323 554760145 /nfs/dbraw/zinc/76/01/45/554760145.db2.gz RMOMIIUTQOKLCH-INIZCTEOSA-N 0 0 477.999 4.313 50 0 JIAARN CCCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccccc2)c2ccc(OC)cc2)n1 ZINC000008868506 554762163 /nfs/dbraw/zinc/76/21/63/554762163.db2.gz ZJHSKEBQFSQJHJ-UHFFFAOYSA-N 0 0 459.955 4.169 50 0 JIAARN COc1cc(CN(C[C@H]2CCCO2)C(=O)COc2ccc(Br)cc2)cc(OC)c1OC ZINC000008869919 554764070 /nfs/dbraw/zinc/76/40/70/554764070.db2.gz MALIEEUJUIHIAJ-LJQANCHMSA-N 0 0 494.382 4.062 50 0 JIAARN Cc1cc2oc(=O)c(CC(=O)N3CCC(C(N)=O)CC3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000008877460 554772692 /nfs/dbraw/zinc/77/26/92/554772692.db2.gz QWSCSWYEEXBIHU-UHFFFAOYSA-N 0 0 458.514 4.089 50 0 biogenic JIAARN CN(C)S(=O)(=O)c1cccc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)c1 ZINC000008880330 554775813 /nfs/dbraw/zinc/77/58/13/554775813.db2.gz LVSURULJGBMIPA-UHFFFAOYSA-N 0 0 475.599 4.221 50 0 JIAARN CC(C)(C)c1cc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)n(-c2ccccc2)n1 ZINC000008880860 554776217 /nfs/dbraw/zinc/77/62/17/554776217.db2.gz DPYCZKAZAIIBNL-UHFFFAOYSA-N 0 0 465.642 4.223 50 0 JIAARN CC[C@@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl)c1ccccc1 ZINC000008881843 554776869 /nfs/dbraw/zinc/77/68/69/554776869.db2.gz AVAUDLFNTUEVSK-GOSISDBHSA-N 0 0 466.987 4.046 50 0 JIAARN CCOc1ccc(Oc2ccc(NC(=O)CCc3c(C)nc(SCC(N)=O)nc3C)cc2)cc1 ZINC000008884344 554778695 /nfs/dbraw/zinc/77/86/95/554778695.db2.gz ZUAFVSSYIJYFAS-UHFFFAOYSA-N 0 0 480.590 4.433 50 0 JIAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000008896570 554786314 /nfs/dbraw/zinc/78/63/14/554786314.db2.gz OOJBSWJKJBMDNM-NRFANRHFSA-N 0 0 465.506 4.426 50 0 JIAARN Cn1c(SCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)nnc1-c1ccccc1F ZINC000008897613 554787948 /nfs/dbraw/zinc/78/79/48/554787948.db2.gz YIDVUOPKKSUJGD-UHFFFAOYSA-N 0 0 489.576 4.325 50 0 JIAARN CC[C@@H](C)N(C(=O)CSc1nc(-c2cccs2)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000008898348 554788688 /nfs/dbraw/zinc/78/86/88/554788688.db2.gz XUXZPCGHVWQIGS-CVEARBPZSA-N 0 0 475.661 4.265 50 0 JIAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000008899088 554789798 /nfs/dbraw/zinc/78/97/98/554789798.db2.gz SMLDLMXYYVDDCF-UHFFFAOYSA-N 0 0 466.559 4.071 50 0 JIAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)nc(C)n4C3CCCC3)CC2)o1 ZINC000008912181 554802119 /nfs/dbraw/zinc/80/21/19/554802119.db2.gz BUHWTUIMXXSWIR-UHFFFAOYSA-N 0 0 484.622 4.078 50 0 JIAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCC(C)CC2)s1 ZINC000008912507 554802905 /nfs/dbraw/zinc/80/29/05/554802905.db2.gz BQIXRJTYELDMAU-UHFFFAOYSA-N 0 0 463.046 4.049 50 0 JIAARN CCCSc1ncc(Cl)c(C(=O)N(Cc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000008915207 554808413 /nfs/dbraw/zinc/80/84/13/554808413.db2.gz DAYWRAYKXKUOHP-HNNXBMFYSA-N 0 0 474.435 4.115 50 0 JIAARN O=C(Nc1ccc(OC(F)F)cc1)c1nc(S(=O)(=O)Cc2ccccc2F)ncc1Cl ZINC000008916503 554810729 /nfs/dbraw/zinc/81/07/29/554810729.db2.gz RYBMOFGJGICAHO-UHFFFAOYSA-N 0 0 471.844 4.097 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nn(-c3cccc(C)c3)ccc2=O)cc1 ZINC000008917516 554812519 /nfs/dbraw/zinc/81/25/19/554812519.db2.gz BBMHQUQYJBLCCJ-UHFFFAOYSA-N 0 0 488.569 4.008 50 0 JIAARN COc1ccc(-n2nc3c(c2NC(=O)C(c2ccccc2)c2ccccc2)C[S@@](=O)C3)cc1 ZINC000008919730 554816527 /nfs/dbraw/zinc/81/65/27/554816527.db2.gz WEFKPRWLJUJUTF-XIFFEERXSA-N 0 0 457.555 4.414 50 0 JIAARN O=C1C(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N1CCc1cccs1 ZINC000008920248 554816960 /nfs/dbraw/zinc/81/69/60/554816960.db2.gz PUHQXTKHVWKODA-UHFFFAOYSA-N 0 0 456.527 4.134 50 0 JIAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(F)cc3)o2)cc1 ZINC000008921544 554818392 /nfs/dbraw/zinc/81/83/92/554818392.db2.gz JMGGJGAFQGPKMO-UHFFFAOYSA-N 0 0 494.548 4.263 50 0 JIAARN CCOc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)cc1 ZINC000008922169 554819142 /nfs/dbraw/zinc/81/91/42/554819142.db2.gz BHNHBTGDRAIJNB-UHFFFAOYSA-N 0 0 465.458 4.042 50 0 JIAARN O=C(CN1c2ccccc2S(=O)(=O)[C@H](c2ccccc2)CC1=O)Nc1cccc(Cl)c1 ZINC000008931850 554826021 /nfs/dbraw/zinc/82/60/21/554826021.db2.gz GNRQYOKRGNNMSK-NRFANRHFSA-N 0 0 454.935 4.230 50 0 JIAARN COc1cc(C[NH2+]Cc2c(C)n(Cc3ccc(F)cc3)c(C)c2C(=O)[O-])cc(OC)c1OC ZINC000008932762 554826503 /nfs/dbraw/zinc/82/65/03/554826503.db2.gz WPULJIVFMYHBCJ-UHFFFAOYSA-N 0 0 456.514 4.306 50 0 JIAARN COc1ccc(CNC(=O)Cn2ncc3c4ccccc4n(Cc4cc(C)ccc4C)c3c2=O)cc1 ZINC000008933178 554826808 /nfs/dbraw/zinc/82/68/08/554826808.db2.gz SXTYEKIEXBAPBG-UHFFFAOYSA-N 0 0 480.568 4.341 50 0 JIAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCN(C(=O)N4CCCC4)CC3)cc12 ZINC000008941081 554831797 /nfs/dbraw/zinc/83/17/97/554831797.db2.gz KGZYXRZMETYOJA-UHFFFAOYSA-N 0 0 472.014 4.082 50 0 JIAARN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4c5ccccc5C=C[C@H]34)C2O)cc1 ZINC000008964549 554838506 /nfs/dbraw/zinc/83/85/06/554838506.db2.gz DAXDWUGZJJVMBT-POTDNYQPSA-N 0 0 462.505 4.162 50 0 biogenic JIAARN COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)C2CC2)cc1 ZINC000008965599 554840409 /nfs/dbraw/zinc/84/04/09/554840409.db2.gz PBFNXFDZEUCKCI-UHFFFAOYSA-N 0 0 454.523 4.440 50 0 JIAARN O=C(CSc1nnnn1-c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000008966212 554842155 /nfs/dbraw/zinc/84/21/55/554842155.db2.gz ULKUVMYMZDYBMN-MRXNPFEDSA-N 0 0 452.590 4.255 50 0 JIAARN COc1ccc(Cl)c2sc(N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)nc21 ZINC000008967371 554842784 /nfs/dbraw/zinc/84/27/84/554842784.db2.gz QWZOBURFULLWIE-UHFFFAOYSA-N 0 0 464.421 4.184 50 0 JIAARN O=S(=O)(NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1cccc(Cl)c1 ZINC000008968225 554842927 /nfs/dbraw/zinc/84/29/27/554842927.db2.gz AGKVLTZILQLBCW-QGZVFWFLSA-N 0 0 459.973 4.034 50 0 JIAARN COc1cc(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000008971842 554844043 /nfs/dbraw/zinc/84/40/43/554844043.db2.gz UCDXYKHDGAPBHY-LVXARBLLSA-N 0 0 492.915 4.447 50 0 JIAARN COc1cc(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000008971847 554844298 /nfs/dbraw/zinc/84/42/98/554844298.db2.gz UCDXYKHDGAPBHY-HFZDXXHNSA-N 0 0 492.915 4.447 50 0 JIAARN C[C@H]1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000008986976 554849734 /nfs/dbraw/zinc/84/97/34/554849734.db2.gz JDUHHHUYKXZIQR-KRWDZBQOSA-N 0 0 452.601 4.255 50 0 JIAARN COc1ccc(C2(C(=O)NCC3(c4ccc(OC)c(OC)c4)CCCC3)CCOCC2)cc1 ZINC000008992095 554853062 /nfs/dbraw/zinc/85/30/62/554853062.db2.gz DGAVXBFFHKFYSA-UHFFFAOYSA-N 0 0 453.579 4.389 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1 ZINC000009009900 554863497 /nfs/dbraw/zinc/86/34/97/554863497.db2.gz RWYODHDVICUORP-CWTOASCOSA-N 0 0 492.531 4.171 50 0 JIAARN O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1ccc(F)cc1Cl ZINC000009055710 554873976 /nfs/dbraw/zinc/87/39/76/554873976.db2.gz VXNLVPASZBAWOO-UHFFFAOYSA-N 0 0 452.825 4.075 50 0 JIAARN C[C@H]1CCc2c(sc(NC(=O)CSc3nnc(C4CC4)n3-c3ccccc3)c2C(N)=O)C1 ZINC000009056293 554874505 /nfs/dbraw/zinc/87/45/05/554874505.db2.gz AMAHTISOUPMKKW-ZDUSSCGKSA-N 0 0 467.620 4.161 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C[C@@H]2CCCO2)c2nc3c(cccc3C)s2)cc1 ZINC000009065787 554885451 /nfs/dbraw/zinc/88/54/51/554885451.db2.gz NSTGQAWRXNYGIL-FPOVZHCZSA-N 0 0 499.658 4.278 50 0 JIAARN C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009069882 554886159 /nfs/dbraw/zinc/88/61/59/554886159.db2.gz FMHHBBPXARYIHW-CQSZACIVSA-N 0 0 497.038 4.249 50 0 JIAARN O=C(NC(=S)Nc1ccc(I)cn1)C(c1ccccc1)c1ccccc1 ZINC000009076255 554887662 /nfs/dbraw/zinc/88/76/62/554887662.db2.gz WBBPEPIIDWIMFF-UHFFFAOYSA-N 0 0 473.339 4.331 50 0 JIAARN COCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1cccc(OC)c1 ZINC000009095182 554892860 /nfs/dbraw/zinc/89/28/60/554892860.db2.gz ONUNZHXAQNKRMJ-MHZLTWQESA-N 0 0 469.541 4.151 50 0 JIAARN CC[C@H](Sc1nnc(CC(=O)Nc2ccc(C)c(C)c2)n1C)C(=O)Nc1ccccc1F ZINC000009095894 554894198 /nfs/dbraw/zinc/89/41/98/554894198.db2.gz CMOGYUQNWJRKRJ-IBGZPJMESA-N 0 0 455.559 4.262 50 0 JIAARN CC[C@@H](C)[C@@H](C(=O)OCC(=O)NCC(=O)Nc1ccc(Br)cc1C)c1ccccc1 ZINC000009097625 554896305 /nfs/dbraw/zinc/89/63/05/554896305.db2.gz LJCXCPGBVYQGIW-IVZQSRNASA-N 0 0 475.383 4.185 50 0 JIAARN O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCCCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000009104127 554897070 /nfs/dbraw/zinc/89/70/70/554897070.db2.gz AYRIPFDCMKDXGL-SFHVURJKSA-N 0 0 463.559 4.293 50 0 JIAARN CC1=C(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCN(c3ccccc3)CC2)SCCO1 ZINC000009115162 554901806 /nfs/dbraw/zinc/90/18/06/554901806.db2.gz OUTAICCOUAMQEJ-UHFFFAOYSA-N 0 0 457.983 4.236 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc(NC(=O)C3=C(C)OCCS3)cc2Cl)c(OC)c1 ZINC000009115331 554902111 /nfs/dbraw/zinc/90/21/11/554902111.db2.gz KZOIKJVYHVVVRR-UHFFFAOYSA-N 0 0 476.982 4.263 50 0 JIAARN O=C(NCc1ccccc1F)[C@H]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1 ZINC000009117596 554907348 /nfs/dbraw/zinc/90/73/48/554907348.db2.gz RVYQXXIMVHFMRD-KRWDZBQOSA-N 0 0 453.518 4.269 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)cc1 ZINC000009118512 554908176 /nfs/dbraw/zinc/90/81/76/554908176.db2.gz ODXLQRBMCBPMNO-UHFFFAOYSA-N 0 0 479.602 4.417 50 0 JIAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)NCc3ccccc3Cl)c3ccccc32)C[C@@H](C)O1 ZINC000009118576 554908424 /nfs/dbraw/zinc/90/84/24/554908424.db2.gz GBWWTCIVLCZVOW-QZTJIDSGSA-N 0 0 486.037 4.339 50 0 JIAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)C1=O ZINC000009119913 554911768 /nfs/dbraw/zinc/91/17/68/554911768.db2.gz GCZCXWOQRPWURR-WRONEBCDSA-N 0 0 498.583 4.364 50 0 JIAARN CCOC(=O)c1sc2nc(C)nc(SCC(=O)N3c4ccccc4NC(=O)C3(C)C)c2c1C ZINC000009120082 554912288 /nfs/dbraw/zinc/91/22/88/554912288.db2.gz KRPAVZYLWCEEKM-UHFFFAOYSA-N 0 0 484.603 4.341 50 0 JIAARN Cc1cc(Cl)ccc1OCCCC(=O)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000009120032 554912327 /nfs/dbraw/zinc/91/23/27/554912327.db2.gz IKTNXFPWCMDMRA-UHFFFAOYSA-N 0 0 465.731 4.321 50 0 JIAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4cc(Cl)ccc4O)[nH]n3)cc2)C1 ZINC000009124335 554915571 /nfs/dbraw/zinc/91/55/71/554915571.db2.gz JCQYDRPCMFMNET-CQSZACIVSA-N 0 0 474.970 4.109 50 0 JIAARN O=C(COC(=O)COc1ccc(Br)cc1)NC(c1ccccc1)c1ccccc1 ZINC000009125331 554917572 /nfs/dbraw/zinc/91/75/72/554917572.db2.gz LLWNSKAKDPQCPR-UHFFFAOYSA-N 0 0 454.320 4.277 50 0 JIAARN Cn1c2ccccc2c(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1-c1ccccc1 ZINC000009126957 554921501 /nfs/dbraw/zinc/92/15/01/554921501.db2.gz XYPJVMKFKBIGEK-MUUNZHRXSA-N 0 0 465.509 4.258 50 0 JIAARN Cc1ccccc1Nc1nc(N)nc(CSc2nnc(Cc3cccs3)n2C2CC2)n1 ZINC000009127232 554922100 /nfs/dbraw/zinc/92/21/00/554922100.db2.gz RFLVPWYNPFGILD-UHFFFAOYSA-N 0 0 450.597 4.377 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1CCCO)N(Cc1ccccc1)Cc1ccccc1 ZINC000009128514 554925471 /nfs/dbraw/zinc/92/54/71/554925471.db2.gz YXICJUVETKMJJY-UHFFFAOYSA-N 0 0 473.598 4.100 50 0 JIAARN COc1ccccc1CNS(=O)(=O)c1cc(C(=O)NC2CCCC2)c(Cl)cc1Cl ZINC000009128787 554926218 /nfs/dbraw/zinc/92/62/18/554926218.db2.gz MZPTWJDHMZLXPK-UHFFFAOYSA-N 0 0 457.379 4.153 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)CC2)c1C ZINC000009130941 554931221 /nfs/dbraw/zinc/93/12/21/554931221.db2.gz PTAXQVPZSOLHPC-UHFFFAOYSA-N 0 0 463.603 4.091 50 0 JIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000009138208 554933383 /nfs/dbraw/zinc/93/33/83/554933383.db2.gz JKXCQZKQTDFLFS-UHFFFAOYSA-N 0 0 461.653 4.361 50 0 JIAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000009141586 554935095 /nfs/dbraw/zinc/93/50/95/554935095.db2.gz NHKOCHJMXSMBAD-UHFFFAOYSA-N 0 0 455.319 4.082 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)cc1Cl ZINC000009152983 554941773 /nfs/dbraw/zinc/94/17/73/554941773.db2.gz CDSTZQKXRNTMEK-OAHLLOKOSA-N 0 0 454.962 4.070 50 0 JIAARN CCCn1c2ccccc2c2cnn(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)c21 ZINC000009153408 554942975 /nfs/dbraw/zinc/94/29/75/554942975.db2.gz AZVVWMBLEOQLME-UHFFFAOYSA-N 0 0 477.996 4.072 50 0 JIAARN COc1ccc2c(c1)c1c(c(=O)n(Cc3ccccc3)c(=O)n1CC(=O)c1ccc(Cl)cc1)n2C ZINC000009153817 554944490 /nfs/dbraw/zinc/94/44/90/554944490.db2.gz GMSKIFGQELVYCO-UHFFFAOYSA-N 0 0 487.943 4.248 50 0 JIAARN Cc1nnc(SCC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)n1-c1ccccc1C ZINC000009155180 554945211 /nfs/dbraw/zinc/94/52/11/554945211.db2.gz DQXIUQPNMIGKIF-UHFFFAOYSA-N 0 0 475.574 4.162 50 0 JIAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)OCC(=O)N1CCCCCC1 ZINC000009157434 554947008 /nfs/dbraw/zinc/94/70/08/554947008.db2.gz JNJZRYAVNHFQAK-UHFFFAOYSA-N 0 0 468.554 4.111 50 0 JIAARN CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC)cc1 ZINC000009167771 554952115 /nfs/dbraw/zinc/95/21/15/554952115.db2.gz VTBPJTYZSVQNCM-UHFFFAOYSA-N 0 0 473.595 4.388 50 0 JIAARN O=C(CSc1nc(C(F)(F)F)nc2ccccc21)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000009170208 554953431 /nfs/dbraw/zinc/95/34/31/554953431.db2.gz TXEKFYZICPCLTM-OAHLLOKOSA-N 0 0 487.569 4.089 50 0 JIAARN CCCN1c2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2OCC(C)(C)C1=O ZINC000009171854 554953858 /nfs/dbraw/zinc/95/38/58/554953858.db2.gz SMSHIGACJXNTHX-UHFFFAOYSA-N 0 0 467.385 4.412 50 0 JIAARN CCCN1c2cc(NS(=O)(=O)c3ccc(OCC)c(F)c3)ccc2OCC(C)(C)C1=O ZINC000009172230 554954206 /nfs/dbraw/zinc/95/42/06/554954206.db2.gz DWHWATKWGDRMFH-UHFFFAOYSA-N 0 0 450.532 4.187 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)c(C)c1 ZINC000009172832 554954455 /nfs/dbraw/zinc/95/44/55/554954455.db2.gz YQLNERDGUMABQY-UHFFFAOYSA-N 0 0 473.595 4.162 50 0 JIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H]1CCS(=O)(=O)C1)occ3-c1ccc(Cl)cc1 ZINC000009184330 554956468 /nfs/dbraw/zinc/95/64/68/554956468.db2.gz NKVBZOXTYMOGKD-INIZCTEOSA-N 0 0 485.945 4.014 50 0 JIAARN CCCCc1ccc(-n2c(-c3ccc(OC)c(Cl)c3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000009191789 554963998 /nfs/dbraw/zinc/96/39/98/554963998.db2.gz AHEHQLPIYVELOR-UHFFFAOYSA-N 0 0 491.979 4.347 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C(=O)N1CCCCC1 ZINC000009194786 554968281 /nfs/dbraw/zinc/96/82/81/554968281.db2.gz OVNMSFADKFWYIC-UHFFFAOYSA-N 0 0 471.348 4.024 50 0 JIAARN O=C(c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCN(c2ccccc2)CC1 ZINC000009194906 554968595 /nfs/dbraw/zinc/96/85/95/554968595.db2.gz OTZOIJQQFNKNCQ-NDEPHWFRSA-N 0 0 471.626 4.466 50 0 JIAARN O=C(COC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC(=O)Nc1ccccc1F ZINC000009196748 554969089 /nfs/dbraw/zinc/96/90/89/554969089.db2.gz XNVFJHLACTUYFO-NRFANRHFSA-N 0 0 497.910 4.232 50 0 JIAARN CCC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2C)[C@H]1c1ccc(Cl)cc1 ZINC000009196281 554969121 /nfs/dbraw/zinc/96/91/21/554969121.db2.gz LHZUSGNFFGFWCJ-IBGZPJMESA-N 0 0 453.959 4.082 50 0 JIAARN O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000009199121 554970681 /nfs/dbraw/zinc/97/06/81/554970681.db2.gz CUAQFEHMGGDCTJ-QGZVFWFLSA-N 0 0 479.993 4.293 50 0 JIAARN O=C(CCc1ccccc1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009203529 554974041 /nfs/dbraw/zinc/97/40/41/554974041.db2.gz NFYYKROASBAKCQ-UHFFFAOYSA-N 0 0 452.532 4.220 50 0 JIAARN CCOc1ccc(CC(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1 ZINC000009203567 554974167 /nfs/dbraw/zinc/97/41/67/554974167.db2.gz SEKMBXSQFSMPHY-UHFFFAOYSA-N 0 0 464.587 4.322 50 0 JIAARN CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)ccc1OCC(=O)N1CCCCC1 ZINC000009206024 554975234 /nfs/dbraw/zinc/97/52/34/554975234.db2.gz JCMPITFFJFKYSS-JIPXPUAJSA-N 0 0 493.604 4.222 50 0 JIAARN O=C(NCc1ccco1)c1c2c(sc1NC(=O)c1nn(-c3ccc(F)cc3)ccc1=O)CCCC2 ZINC000009206279 554975658 /nfs/dbraw/zinc/97/56/58/554975658.db2.gz YCKHTZAKBSXDQV-UHFFFAOYSA-N 0 0 492.532 4.087 50 0 JIAARN C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009206402 554975661 /nfs/dbraw/zinc/97/56/61/554975661.db2.gz YUOZHFUACQXEGR-INIZCTEOSA-N 0 0 499.552 4.129 50 0 JIAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)Cc2ccccc2N2CCOCC2)c1 ZINC000009208512 554976863 /nfs/dbraw/zinc/97/68/63/554976863.db2.gz BSULJYLNXSIBNY-UHFFFAOYSA-N 0 0 472.589 4.154 50 0 JIAARN 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CEZMCMDPNQIYHH-UHFFFAOYSA-N 0 0 491.569 4.033 50 0 JIAARN CCCCc1nn2c(nc(COc3cccc(NC(=O)c4ccc(F)cc4)c3)cc2=O)s1 ZINC000013368254 555390192 /nfs/dbraw/zinc/39/01/92/555390192.db2.gz AVXKTWQCDMAQIF-UHFFFAOYSA-N 0 0 452.511 4.464 50 0 JIAARN CC(C)(C)NC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000009585280 555394786 /nfs/dbraw/zinc/39/47/86/555394786.db2.gz HTZWSTXKGDOLNY-UHFFFAOYSA-N 0 0 457.987 4.363 50 0 JIAARN O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009585887 555395962 /nfs/dbraw/zinc/39/59/62/555395962.db2.gz XIGHBYGKYCQZPG-UHFFFAOYSA-N 0 0 456.951 4.280 50 0 JIAARN Cc1cc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)ccc1Br ZINC000009673291 555396906 /nfs/dbraw/zinc/39/69/06/555396906.db2.gz VLDXEELFWAOLEO-SFHVURJKSA-N 0 0 455.349 4.079 50 0 JIAARN COc1ccc(OC(C)=O)c([C@@H]2OC(c3ccc(NC(=O)c4ccc(C)cc4)cc3)=NN2C(C)=O)c1 ZINC000009586397 555396860 /nfs/dbraw/zinc/39/68/60/555396860.db2.gz UEFCEKHPAUBUSJ-MHZLTWQESA-N 0 0 487.512 4.420 50 0 JIAARN COc1ccc(C(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)C[C@H]2c2cccs2)cc1 ZINC000009673787 555397765 /nfs/dbraw/zinc/39/77/65/555397765.db2.gz CAXIACDXMRMGGM-FQEVSTJZSA-N 0 0 455.561 4.120 50 0 JIAARN O=C(/C=C/c1ccccc1)O[C@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@H]1[C@@H]1COC2(CCCCC2)O1 ZINC000013425151 555399307 /nfs/dbraw/zinc/39/93/07/555399307.db2.gz YMNWZTLIICAIHI-PPNGDBLVSA-N 0 0 470.562 4.488 50 0 biogenic JIAARN O[C@@H](COc1ccc(OC(F)(F)F)cc1)CN1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000013463769 555401273 /nfs/dbraw/zinc/40/12/73/555401273.db2.gz NXVMURBJRDQISJ-OAHLLOKOSA-N 0 0 487.931 4.410 50 0 JIAARN O=C(COC(=O)Cn1c2ccccc2nc1C(F)(F)F)NCc1ccc(Cl)cc1Cl ZINC000009589141 555402149 /nfs/dbraw/zinc/40/21/49/555402149.db2.gz SYOFCOQNAIYGAO-UHFFFAOYSA-N 0 0 460.239 4.222 50 0 JIAARN C[C@@]12C[C@@H](NC(=O)N1c1ccc(C(=O)N3CCN(c4ccccc4)CC3)cc1)c1ccccc1O2 ZINC000009681392 555409200 /nfs/dbraw/zinc/40/92/00/555409200.db2.gz GTFSXMYTQNTYFD-UFHPHHKVSA-N 0 0 468.557 4.419 50 0 JIAARN CCCN(CCC)C(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OC)cc1 ZINC000009593882 555409319 /nfs/dbraw/zinc/40/93/19/555409319.db2.gz KDKOGCDORMNQPF-SFTDATJTSA-N 0 0 451.596 4.361 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1c1ccccc1n2C ZINC000009681782 555409786 /nfs/dbraw/zinc/40/97/86/555409786.db2.gz LKZYYLVEKOLKHD-UHFFFAOYSA-N 0 0 496.523 4.315 50 0 JIAARN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000009594099 555409811 /nfs/dbraw/zinc/40/98/11/555409811.db2.gz XGQFBUDMMPUCGV-UHFFFAOYSA-N 0 0 457.577 4.330 50 0 JIAARN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCC(C(=O)OC)CC1 ZINC000009683203 555410922 /nfs/dbraw/zinc/41/09/22/555410922.db2.gz GKGDXVUZBRLOPE-UHFFFAOYSA-N 0 0 458.580 4.032 50 0 JIAARN Cc1csc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc3nc(C)sc3c2)n1 ZINC000009683316 555411276 /nfs/dbraw/zinc/41/12/76/555411276.db2.gz OFZPVSCOVRPYRL-UHFFFAOYSA-N 0 0 472.617 4.199 50 0 JIAARN O=C(CCCNC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccccc1)OCc1ccccc1 ZINC000013496508 555411973 /nfs/dbraw/zinc/41/19/73/555411973.db2.gz RVQNPKQRTQQWOP-MOHJPFBDSA-N 0 0 460.505 4.236 50 0 JIAARN Cc1c2cnn(CC(=O)Nc3c(F)c(F)cc(F)c3F)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000013497084 555412557 /nfs/dbraw/zinc/41/25/57/555412557.db2.gz DGOXHAYPFVGAIM-UHFFFAOYSA-N 0 0 476.405 4.197 50 0 JIAARN O=C(CCS(=O)(=O)c1cccs1)Nc1ccc(C(=O)NCc2ccccc2Cl)cc1 ZINC000009597781 555414717 /nfs/dbraw/zinc/41/47/17/555414717.db2.gz ZTVQPSLDORNILY-UHFFFAOYSA-N 0 0 462.980 4.134 50 0 JIAARN CCOc1ccccc1CNC(=O)c1cc2c(ccn(Cc3ccc(OC)cc3)c2=O)nc1C ZINC000009686075 555414865 /nfs/dbraw/zinc/41/48/65/555414865.db2.gz LVXFOAROXYGUQA-UHFFFAOYSA-N 0 0 457.530 4.091 50 0 JIAARN Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3nc(C)ccc3c2=O)cc1 ZINC000009689160 555416079 /nfs/dbraw/zinc/41/60/79/555416079.db2.gz MFWRXFSIGGWCFS-UHFFFAOYSA-N 0 0 481.961 4.138 50 0 JIAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)C1=O ZINC000009690146 555417330 /nfs/dbraw/zinc/41/73/30/555417330.db2.gz BQQLNYSEYAEFRQ-AJTFRIOCSA-N 0 0 470.529 4.123 50 0 JIAARN O=C(Nc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000009690817 555417657 /nfs/dbraw/zinc/41/76/57/555417657.db2.gz QYPWYVYPDOIJMP-SFHVURJKSA-N 0 0 493.368 4.250 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)[C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000009692468 555419689 /nfs/dbraw/zinc/41/96/89/555419689.db2.gz KEYYOSCMGRBHHC-LJQANCHMSA-N 0 0 472.979 4.311 50 0 JIAARN CSc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)cc2s1 ZINC000009599514 555419726 /nfs/dbraw/zinc/41/97/26/555419726.db2.gz NVNIQGRBSXQVRJ-INIZCTEOSA-N 0 0 477.633 4.070 50 0 JIAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)c3ccccc3)cc1)CCCC2 ZINC000009599727 555420355 /nfs/dbraw/zinc/42/03/55/555420355.db2.gz LAUJICYSMQDJBE-UHFFFAOYSA-N 0 0 483.615 4.064 50 0 JIAARN COc1cccc(NC(=O)CSc2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000009599909 555420650 /nfs/dbraw/zinc/42/06/50/555420650.db2.gz WXZYWEUZAQQVQC-UHFFFAOYSA-N 0 0 458.609 4.432 50 0 JIAARN O=C(COc1ccccc1)Nc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000009599938 555421020 /nfs/dbraw/zinc/42/10/20/555421020.db2.gz YAIRRSLCPADSPY-UHFFFAOYSA-N 0 0 468.482 4.305 50 0 JIAARN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)o2)cc1 ZINC000009693889 555423576 /nfs/dbraw/zinc/42/35/76/555423576.db2.gz RDSVWDDFMFLUKS-HXUWFJFHSA-N 0 0 452.576 4.221 50 0 JIAARN CCCCc1ccc(-n2c(SCC(=O)N3CCC(C(N)=O)CC3)nnc2-c2ccc(C)cc2)cc1 ZINC000009697391 555425438 /nfs/dbraw/zinc/42/54/38/555425438.db2.gz UFUPLZFYASMJGL-UHFFFAOYSA-N 0 0 491.661 4.401 50 0 JIAARN CCc1cccc(CC)c1NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 ZINC000009698809 555425714 /nfs/dbraw/zinc/42/57/14/555425714.db2.gz KIBHYPPTMVAUKD-HSZRJFAPSA-N 0 0 461.606 4.350 50 0 JIAARN O=C(CNC(=O)c1ccccc1)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1 ZINC000009601417 555426464 /nfs/dbraw/zinc/42/64/64/555426464.db2.gz YXVIQSLNXZJGDT-UHFFFAOYSA-N 0 0 465.594 4.190 50 0 JIAARN CCN(CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2ccc(C)cc2s1 ZINC000009604216 555431174 /nfs/dbraw/zinc/43/11/74/555431174.db2.gz DRVOPZAMWRTQKR-UHFFFAOYSA-N 0 0 459.637 4.144 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-n2cccc2)cc1 ZINC000009707900 555431673 /nfs/dbraw/zinc/43/16/73/555431673.db2.gz OOJNFDYWQBLYKL-UHFFFAOYSA-N 0 0 461.547 4.274 50 0 JIAARN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)ccc1F ZINC000009708675 555433629 /nfs/dbraw/zinc/43/36/29/555433629.db2.gz SCERIPBKZNRBQH-UHFFFAOYSA-N 0 0 466.581 4.138 50 0 JIAARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)C1=O ZINC000009711951 555434907 /nfs/dbraw/zinc/43/49/07/555434907.db2.gz ULYNBNLEAQCVBJ-HFZDXXHNSA-N 0 0 469.557 4.243 50 0 JIAARN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000009609612 555438062 /nfs/dbraw/zinc/43/80/62/555438062.db2.gz IJPGYHYAPJYNDB-UHFFFAOYSA-N 0 0 474.996 4.343 50 0 JIAARN COc1ccc(OC)c(CCNC(=O)Cc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)c1 ZINC000009610249 555440332 /nfs/dbraw/zinc/44/03/32/555440332.db2.gz RMCIPXNNSAYION-UHFFFAOYSA-N 0 0 458.562 4.240 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000009713739 555440921 /nfs/dbraw/zinc/44/09/21/555440921.db2.gz BFCCDNGAPRSZSN-UHFFFAOYSA-N 0 0 498.004 4.305 50 0 JIAARN COc1cc(NC(=O)c2ccc3oc(=O)c(S(=O)(=O)c4ccc(F)cc4)cc3c2)cc(OC)c1 ZINC000009610686 555441594 /nfs/dbraw/zinc/44/15/94/555441594.db2.gz MSWFDYWYPOLQAV-UHFFFAOYSA-N 0 0 483.473 4.034 50 0 JIAARN O=C(NCc1ccc(F)cc1)c1ccc2oc(=O)c(S(=O)(=O)c3ccc(Cl)cc3)cc2c1 ZINC000009610673 555441708 /nfs/dbraw/zinc/44/17/08/555441708.db2.gz WMLRTLHJZVIHLP-UHFFFAOYSA-N 0 0 471.893 4.348 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000009714555 555443983 /nfs/dbraw/zinc/44/39/83/555443983.db2.gz MLIDKIYIYWHDKZ-UHFFFAOYSA-N 0 0 469.994 4.128 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)CCc2ccc(OC)c(OC)c2)cc1 ZINC000009715611 555447948 /nfs/dbraw/zinc/44/79/48/555447948.db2.gz XJASJFIRTGOGER-UHFFFAOYSA-N 0 0 492.528 4.079 50 0 JIAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1[C@@H](C)NC(=O)c1ccccc1OC ZINC000009615035 555452069 /nfs/dbraw/zinc/45/20/69/555452069.db2.gz TVYXJTXTONCDJD-OAHLLOKOSA-N 0 0 488.013 4.490 50 0 JIAARN CC1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000009720562 555452336 /nfs/dbraw/zinc/45/23/36/555452336.db2.gz YGAUXCHNGTXDPT-UHFFFAOYSA-N 0 0 455.407 4.443 50 0 JIAARN CCN(CC)C(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000009720606 555452514 /nfs/dbraw/zinc/45/25/14/555452514.db2.gz DYERJHLIAQGTJS-UHFFFAOYSA-N 0 0 473.820 4.162 50 0 JIAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 ZINC000009619119 555455956 /nfs/dbraw/zinc/45/59/56/555455956.db2.gz KVWPHPAFRMCEMQ-SFHVURJKSA-N 0 0 471.513 4.010 50 0 JIAARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 ZINC000009619648 555456158 /nfs/dbraw/zinc/45/61/58/555456158.db2.gz JCLXOQILWZJVOB-QFIPXVFZSA-N 0 0 480.030 4.155 50 0 JIAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N2CCS[C@H]2c2ccccc2F)C1=O ZINC000009620529 555456904 /nfs/dbraw/zinc/45/69/04/555456904.db2.gz NYVBTPJUYDHTKX-WIOPSUGQSA-N 0 0 463.534 4.020 50 0 JIAARN Cc1cccc(Cn2c3ccsc3c(=O)n(CC3CCC(C(=O)N4CCCCC4)CC3)c2=O)c1 ZINC000009725698 555458857 /nfs/dbraw/zinc/45/88/57/555458857.db2.gz VEEIVFDCWROBKG-UHFFFAOYSA-N 0 0 479.646 4.400 50 0 JIAARN CCCCNC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3ccc(F)cc3)c2=O)CC1 ZINC000009725931 555459298 /nfs/dbraw/zinc/45/92/98/555459298.db2.gz YEAGPMXASULBHG-UHFFFAOYSA-N 0 0 471.598 4.135 50 0 JIAARN CC(C)NC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3c(F)cccc3Cl)c2=O)CC1 ZINC000009725968 555459303 /nfs/dbraw/zinc/45/93/03/555459303.db2.gz MGOVOEZFUOIENX-UHFFFAOYSA-N 0 0 492.016 4.397 50 0 JIAARN O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000009726448 555459929 /nfs/dbraw/zinc/45/99/29/555459929.db2.gz KBXMJJYYCHNSJH-HNNXBMFYSA-N 0 0 467.572 4.170 50 0 JIAARN C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1=O ZINC000009631891 555461910 /nfs/dbraw/zinc/46/19/10/555461910.db2.gz VWHATSVSFLNBOG-RUZDIDTESA-N 0 0 463.921 4.325 50 0 JIAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009632394 555463353 /nfs/dbraw/zinc/46/33/53/555463353.db2.gz FJXSQBGGDGUBLX-UHFFFAOYSA-N 0 0 479.606 4.098 50 0 JIAARN C[C@@H](c1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000009729744 555464576 /nfs/dbraw/zinc/46/45/76/555464576.db2.gz SHOGARNUTJXVOB-KRWDZBQOSA-N 0 0 497.596 4.091 50 0 JIAARN CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc21 ZINC000009731025 555467389 /nfs/dbraw/zinc/46/73/89/555467389.db2.gz AMPTUNYCANZQDH-RTBURBONSA-N 0 0 487.666 4.141 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc(C[S@](=O)c3ccc(Br)cc3)o2)cc1OC ZINC000009731422 555468182 /nfs/dbraw/zinc/46/81/82/555468182.db2.gz RDBYRUBBENWPRM-SSEXGKCCSA-N 0 0 492.391 4.340 50 0 JIAARN Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(C)c1 ZINC000009737778 555469461 /nfs/dbraw/zinc/46/94/61/555469461.db2.gz RFMPGDOHXIPULY-HXUWFJFHSA-N 0 0 472.607 4.279 50 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/nfs/dbraw/zinc/48/22/76/555482276.db2.gz VWBMCLIFUYUIBF-HNNXBMFYSA-N 0 0 465.531 4.061 50 0 JIAARN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1=O ZINC000009751867 555483207 /nfs/dbraw/zinc/48/32/07/555483207.db2.gz PPKTXOXJFYRNDR-GOSISDBHSA-N 0 0 481.549 4.181 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)CCc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000009765754 555491085 /nfs/dbraw/zinc/49/10/85/555491085.db2.gz XTMIZJKYNCHEKX-LJQANCHMSA-N 0 0 482.650 4.330 50 0 JIAARN Cc1cccc(-c2nnc(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)n2-c2ccccc2)c1 ZINC000009768156 555492154 /nfs/dbraw/zinc/49/21/54/555492154.db2.gz CFCZOYYURZBOAU-QFIPXVFZSA-N 0 0 498.674 4.007 50 0 JIAARN O=C(CSc1cn(CCNC(=O)c2ccc(F)cc2)c2ccccc12)NCc1ccco1 ZINC000009775795 555493135 /nfs/dbraw/zinc/49/31/35/555493135.db2.gz OGGUSTHHOSADAS-UHFFFAOYSA-N 0 0 451.523 4.212 50 0 JIAARN COc1ccc(CCN(C(=O)c2ccccc2)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000013553028 555493176 /nfs/dbraw/zinc/49/31/76/555493176.db2.gz 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C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N[C@H](c2cccs2)c2ccccc2)C1=O ZINC000009789062 555507046 /nfs/dbraw/zinc/50/70/46/555507046.db2.gz MWPXTQCKQUUQCU-DHLKQENFSA-N 0 0 459.527 4.167 50 0 JIAARN COc1ccc(C2=NN(C(=O)CSc3nncn3-c3ccccc3F)[C@@H](c3ccco3)C2)cc1 ZINC000009790306 555509115 /nfs/dbraw/zinc/50/91/15/555509115.db2.gz NVYJGEPZSNVMIB-OAQYLSRUSA-N 0 0 477.521 4.478 50 0 JIAARN C[C@@H](NC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000009790817 555509718 /nfs/dbraw/zinc/50/97/18/555509718.db2.gz MYNHYTGEVVPEGI-LLVKDONJSA-N 0 0 457.865 4.184 50 0 JIAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000009791150 555510165 /nfs/dbraw/zinc/51/01/65/555510165.db2.gz GUJJCFRUEWQNNY-UHFFFAOYSA-N 0 0 456.564 4.084 50 0 JIAARN Cc1sc(NC(=O)CSC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)nc1-c1ccccc1 ZINC000013572407 555510918 /nfs/dbraw/zinc/51/09/18/555510918.db2.gz NHPWOKRTSWPHED-AEFFLSMTSA-N 0 0 496.683 4.356 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 ZINC000009793876 555512211 /nfs/dbraw/zinc/51/22/11/555512211.db2.gz XCHQGIHOAHZODY-UHFFFAOYSA-N 0 0 499.662 4.180 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 ZINC000009796274 555513463 /nfs/dbraw/zinc/51/34/63/555513463.db2.gz OWLVVQXLLKORQM-IBGZPJMESA-N 0 0 493.585 4.045 50 0 JIAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)C1=O ZINC000009797801 555514578 /nfs/dbraw/zinc/51/45/78/555514578.db2.gz KJHHMMXMPSSAGG-MUUNZHRXSA-N 0 0 455.558 4.463 50 0 JIAARN C[C@@H](NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)c1cc2ccccc2o1 ZINC000009798086 555514756 /nfs/dbraw/zinc/51/47/56/555514756.db2.gz MYCTVSGLWLJRBE-QGZVFWFLSA-N 0 0 473.620 4.362 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccc(F)cc1 ZINC000013576745 555515906 /nfs/dbraw/zinc/51/59/06/555515906.db2.gz UNILGZQMDMOAJV-KRCALCKTSA-N 0 0 483.609 4.021 50 0 JIAARN 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COc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(C)ccc32)cc1 ZINC000009856978 555557758 /nfs/dbraw/zinc/55/77/58/555557758.db2.gz XVWBJGADKAEYCL-UHFFFAOYSA-N 0 0 476.554 4.098 50 0 JIAARN COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3cccc(Cl)c3)c3ccc(C)cc3c2=O)cc1 ZINC000009857140 555558103 /nfs/dbraw/zinc/55/81/03/555558103.db2.gz OKQDUESCYJYZIX-UHFFFAOYSA-N 0 0 496.972 4.443 50 0 JIAARN CCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(F)cc3c2=O)cc1 ZINC000009857318 555558649 /nfs/dbraw/zinc/55/86/49/555558649.db2.gz KHFFNNTYRKLSIY-UHFFFAOYSA-N 0 0 482.508 4.314 50 0 JIAARN COc1ccc(-c2noc(CN3CCC[C@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)n2)cc1OC ZINC000009857819 555559041 /nfs/dbraw/zinc/55/90/41/555559041.db2.gz VSEHRRWAMKGLDG-HNNXBMFYSA-N 0 0 474.920 4.397 50 0 JIAARN COc1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)cc1C ZINC000019942822 555561132 /nfs/dbraw/zinc/56/11/32/555561132.db2.gz IEPRPHGAXNVQNN-UHFFFAOYSA-N 0 0 450.604 4.408 50 0 JIAARN O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1 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Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)N[C@@H]1CCCc3ccccc31)nc2C ZINC000020563851 555816004 /nfs/dbraw/zinc/81/60/04/555816004.db2.gz LERZGUYIGRNWAG-XMMPIXPASA-N 0 0 469.589 4.481 50 0 JIAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC(C(=O)NCc3ccc(F)cc3)CC1)nnc2C ZINC000020564106 555816734 /nfs/dbraw/zinc/81/67/34/555816734.db2.gz JERJEMBELWZJKD-UHFFFAOYSA-N 0 0 458.541 4.104 50 0 JIAARN COc1ccc(-n2nc3c(c2C)c(C)nnc3N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1 ZINC000020564564 555818237 /nfs/dbraw/zinc/81/82/37/555818237.db2.gz YEGOEKIWTDEJMB-LJQANCHMSA-N 0 0 462.598 4.106 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C)c4c(C)n(-c5ccccc5)nc43)C2)cc1OC ZINC000020564740 555818846 /nfs/dbraw/zinc/81/88/46/555818846.db2.gz FRRDUKLAZXOLCE-LJQANCHMSA-N 0 0 486.576 4.305 50 0 JIAARN COc1ccc(CCNC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)cc1OC ZINC000020565146 555819826 /nfs/dbraw/zinc/81/98/26/555819826.db2.gz UHOUPPQYXICQHS-UHFFFAOYSA-N 0 0 478.574 4.216 50 0 JIAARN COCC(=O)Nc1cc(C(=O)NCc2ccc(F)cc2F)cc2ncn(CCc3ccccc3)c21 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O=C(COc1cccc2ccc(N3CCN(C(=O)c4ccco4)CC3)nc21)Nc1cccc(Cl)c1 ZINC000015390711 555902173 /nfs/dbraw/zinc/90/21/73/555902173.db2.gz JDAMZAQXWLSTOZ-UHFFFAOYSA-N 0 0 490.947 4.461 50 0 JIAARN COc1cc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)sc2cc1OC ZINC000015391406 555902759 /nfs/dbraw/zinc/90/27/59/555902759.db2.gz AKLQRJHBLABCJS-AWEZNQCLSA-N 0 0 475.592 4.129 50 0 JIAARN COc1cc(CC(=O)NC[C@@H]2Cc3cc(Cl)cc(-c4ccncc4)c3O2)cc(OC)c1OC ZINC000012100409 555907791 /nfs/dbraw/zinc/90/77/91/555907791.db2.gz KKWWAMLOSUOKPP-IBGZPJMESA-N 0 0 468.937 4.090 50 0 JIAARN CC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)NCC2(c3ccccc3)CCOCC2)c1 ZINC000012135201 555913062 /nfs/dbraw/zinc/91/30/62/555913062.db2.gz MEXGBAKPMBAHIB-UHFFFAOYSA-N 0 0 493.648 4.218 50 0 JIAARN O=C(c1ccc(C2SCCS2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000015560062 555915500 /nfs/dbraw/zinc/91/55/00/555915500.db2.gz UBXNDCPKRVOYOE-UHFFFAOYSA-N 0 0 475.082 4.027 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)cc1 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/nfs/dbraw/zinc/92/49/21/555924921.db2.gz KWODTULBQXCOTG-NRFANRHFSA-N 0 0 470.554 4.280 50 0 JIAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccccc3Br)n2)cc1 ZINC000015670230 555925389 /nfs/dbraw/zinc/92/53/89/555925389.db2.gz XQCBXIQRIDTDGR-QGZVFWFLSA-N 0 0 491.349 4.278 50 0 JIAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(OC)cc3)n2)cc1 ZINC000015670208 555925479 /nfs/dbraw/zinc/92/54/79/555925479.db2.gz VSPOIEUBRNBHBO-NRFANRHFSA-N 0 0 470.533 4.304 50 0 JIAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(Cl)cc3)n2)cc1OC ZINC000015670408 555925931 /nfs/dbraw/zinc/92/59/31/555925931.db2.gz FOPIFYYDKBRZDQ-KRWDZBQOSA-N 0 0 476.924 4.177 50 0 JIAARN Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@H](c1ccc(F)cc1F)CC(=O)N2 ZINC000015670432 555926277 /nfs/dbraw/zinc/92/62/77/555926277.db2.gz GNRVNVFDKOHNDX-INIZCTEOSA-N 0 0 452.852 4.438 50 0 JIAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(Br)cc3)n2)c1 ZINC000015670525 555926840 /nfs/dbraw/zinc/92/68/40/555926840.db2.gz YHCRQHGDMRXPAQ-SFHVURJKSA-N 0 0 491.349 4.278 50 0 JIAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@@H](c1ccccc1Br)CC(=O)N2 ZINC000015670621 555927135 /nfs/dbraw/zinc/92/71/35/555927135.db2.gz AYSZBCYSSPSXGJ-MRXNPFEDSA-N 0 0 479.313 4.408 50 0 JIAARN Cc1ccccc1[C@@]1(CC(=O)N(C)Cc2[nH]nc3c2CCCCC3)CC(=O)N(Cc2ccccc2)C1=O ZINC000012157221 555928985 /nfs/dbraw/zinc/92/89/85/555928985.db2.gz WFCAADXCIXJWBA-SSEXGKCCSA-N 0 0 498.627 4.233 50 0 JIAARN COc1ccc([C@@H]2Oc3ccccc3-n3c(-c4ccc(F)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1O ZINC000015671538 555929031 /nfs/dbraw/zinc/92/90/31/555929031.db2.gz OITFBPYMRGNVKJ-SANMLTNESA-N 0 0 499.498 4.030 50 0 JIAARN Cc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(C(=O)[C@H](C)Oc1cccc(Cl)c1)C2 ZINC000012160345 555930528 /nfs/dbraw/zinc/93/05/28/555930528.db2.gz GVXREBBOUDOXJX-KRWDZBQOSA-N 0 0 484.021 4.316 50 0 JIAARN COCc1ccc(C(=O)NCc2nnc(SC[C@H]3CCCO3)n2-c2cccc(C(F)(F)F)c2)o1 ZINC000012160473 555930586 /nfs/dbraw/zinc/93/05/86/555930586.db2.gz JFJDKVHQSSHNAU-QGZVFWFLSA-N 0 0 496.511 4.227 50 0 JIAARN CN(CC[C@H]1CCCCO1)C(=O)c1cc2nc(-c3ccncc3)n(C)c2c(NC(=O)C2CCC2)c1 ZINC000012161138 555930997 /nfs/dbraw/zinc/93/09/97/555930997.db2.gz FUFNDMOLKXHHKD-OAQYLSRUSA-N 0 0 475.593 4.405 50 0 JIAARN O=C(NC1CCCCCCC1)c1cn(C[C@H]2CCCO2)cc(C(=O)N2CCc3ccccc3C2)c1=O ZINC000012163352 555931941 /nfs/dbraw/zinc/93/19/41/555931941.db2.gz AYILKVOJEJWZBC-XMMPIXPASA-N 0 0 491.632 4.069 50 0 JIAARN Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)cc1Cl ZINC000012180308 555934700 /nfs/dbraw/zinc/93/47/00/555934700.db2.gz HDTVQAMTCMOXGO-UHFFFAOYSA-N 0 0 474.373 4.370 50 0 JIAARN CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc21 ZINC000012180524 555934971 /nfs/dbraw/zinc/93/49/71/555934971.db2.gz HZPRMLGZWRSMDA-UHFFFAOYSA-N 0 0 456.589 4.257 50 0 JIAARN COc1ccc(OC2CCN(C(=O)CC[C@@]3(Cc4ccc(Cl)cc4)CCC(=O)N3)CC2)cc1 ZINC000012184573 555936406 /nfs/dbraw/zinc/93/64/06/555936406.db2.gz IRKLKGPWDTWNBN-AREMUKBSSA-N 0 0 470.997 4.390 50 0 JIAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCCCC2)N(C[C@H]2CCCO2)C3=O)cc1 ZINC000015676777 555939887 /nfs/dbraw/zinc/93/98/87/555939887.db2.gz LXXLIWHGQYVADY-LXFBAYGMSA-N 0 0 494.636 4.181 50 0 JIAARN COc1cccc(CNC(=O)C2CCN(c3nn4cc(-c5ccc(C)cc5)nc4s3)CC2)c1OC ZINC000015679467 555945122 /nfs/dbraw/zinc/94/51/22/555945122.db2.gz SIWCAYGOJJMUGB-UHFFFAOYSA-N 0 0 491.617 4.316 50 0 JIAARN COc1ccccc1CCc1nc2ccccc2n1C1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1 ZINC000012242336 555945539 /nfs/dbraw/zinc/94/55/39/555945539.db2.gz CTIYIKBWOUEMCG-UHFFFAOYSA-N 0 0 488.632 4.252 50 0 JIAARN O=C(NCCc1ccccn1)c1cnn(-c2nccc(-c3cc4ccccc4o3)n2)c1C1CC1 ZINC000012243095 555946377 /nfs/dbraw/zinc/94/63/77/555946377.db2.gz SIDZFTHQMOXNLT-UHFFFAOYSA-N 0 0 450.502 4.320 50 0 JIAARN CO[C@@H](C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cc3ccccc3o1)C2)c1ccccc1 ZINC000012243124 555946379 /nfs/dbraw/zinc/94/63/79/555946379.db2.gz GVRBRVIPNZIYSQ-AREMUKBSSA-N 0 0 469.541 4.339 50 0 JIAARN O=C(CSC1=Nc2c(cnn2-c2ccccc2)C2=NCCCN12)Nc1ccccc1Cl ZINC000012322026 555952082 /nfs/dbraw/zinc/95/20/82/555952082.db2.gz SRXJRTZNLUGPTG-UHFFFAOYSA-N 0 0 450.955 4.351 50 0 JIAARN C/C=C/C=C/C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000015701393 555952502 /nfs/dbraw/zinc/95/25/02/555952502.db2.gz DJLDLLXKNWPZDD-DSXPNFDZSA-N 0 0 461.971 4.048 50 0 JIAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)N1CCc2ccccc21 ZINC000015722408 555957101 /nfs/dbraw/zinc/95/71/01/555957101.db2.gz GAWIOZDHCSTQGF-UHFFFAOYSA-N 0 0 451.592 4.185 50 0 JIAARN O=C(Cc1ccc(Cl)cc1)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 ZINC000022851309 555957267 /nfs/dbraw/zinc/95/72/67/555957267.db2.gz XEUFAWDLJBPJPA-DEOSSOPVSA-N 0 0 477.992 4.291 50 0 JIAARN CCOc1ccc(CNC(=O)[C@H](CC)n2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 ZINC000015722741 555958011 /nfs/dbraw/zinc/95/80/11/555958011.db2.gz YIGASZJKWNDJPM-DEOSSOPVSA-N 0 0 483.634 4.482 50 0 JIAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCCC1)N(c1cc(C)cc(C)c1)C2=O ZINC000015724045 555959547 /nfs/dbraw/zinc/95/95/47/555959547.db2.gz HKRVOQKUAPKBIF-MHZLTWQESA-N 0 0 480.609 4.325 50 0 JIAARN CCc1nc2sc([C@@H](c3cccc(C(F)(F)F)c3)[NH+]3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854121 555960867 /nfs/dbraw/zinc/96/08/67/555960867.db2.gz CJSURJXZJKQJLT-MRXNPFEDSA-N 0 0 468.501 4.006 50 0 JIAARN COc1ccc(-c2noc(CN3CCC[C@H](C(=O)Nc4cccc(C)c4C)C3)n2)cc1OC ZINC000015726283 555964462 /nfs/dbraw/zinc/96/44/62/555964462.db2.gz UBRPBUDZIRJFPP-IBGZPJMESA-N 0 0 450.539 4.221 50 0 JIAARN COc1cc(C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)cc(OC)c1OC ZINC000022907705 555965069 /nfs/dbraw/zinc/96/50/69/555965069.db2.gz ZETGQOLKDFEBTO-FQEVSTJZSA-N 0 0 452.576 4.303 50 0 JIAARN O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000015728011 555967479 /nfs/dbraw/zinc/96/74/79/555967479.db2.gz JCKOJWZDZAHCNW-GFCCVEGCSA-N 0 0 450.337 4.086 50 0 JIAARN CCOC(=O)C1=C(CN2CCN(Cc3cccc(Cl)c3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000022909932 555967677 /nfs/dbraw/zinc/96/76/77/555967677.db2.gz UIGRGQJIAIEKQJ-VWLOTQADSA-N 0 0 497.039 4.061 50 0 JIAARN CC(=O)c1cccc(N2C(=O)COc3ccc(Br)cc3[C@@H]2C(=O)NC2CCCC2)c1 ZINC000015728892 555969041 /nfs/dbraw/zinc/96/90/41/555969041.db2.gz KLIVQXPTQOACHR-JOCHJYFZSA-N 0 0 471.351 4.177 50 0 JIAARN O=C(CNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2C1)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000012389607 555972593 /nfs/dbraw/zinc/97/25/93/555972593.db2.gz HLRKDCLTOJWKBS-UHFFFAOYSA-N 0 0 484.387 4.383 50 0 JIAARN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022919985 555973645 /nfs/dbraw/zinc/97/36/45/555973645.db2.gz HVWBVNAVWDZQQK-LJQANCHMSA-N 0 0 490.554 4.046 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000022920841 555974765 /nfs/dbraw/zinc/97/47/65/555974765.db2.gz FBLYJVKTJDEHJQ-NDEPHWFRSA-N 0 0 468.601 4.191 50 0 JIAARN O=C(NC[C@@H]1CCCO1)c1c2c(sc1NC(=O)C1=C(c3ccccc3)SCCO1)CCC2 ZINC000012391950 555975010 /nfs/dbraw/zinc/97/50/10/555975010.db2.gz RAYDDKUFWBZWSF-INIZCTEOSA-N 0 0 470.616 4.216 50 0 JIAARN CCc1nn2c(nc(CSc3ccccc3NC(=O)COc3ccccc3C)cc2=O)s1 ZINC000015731968 555975672 /nfs/dbraw/zinc/97/56/72/555975672.db2.gz XBECMGJAIVXVKZ-UHFFFAOYSA-N 0 0 466.588 4.332 50 0 JIAARN COc1ccc(NC(=O)c2ccc(CN3C(=O)C(C)=C(c4ccc(F)cc4)S3(=O)=O)cc2)cc1 ZINC000015732885 555977313 /nfs/dbraw/zinc/97/73/13/555977313.db2.gz XTBXGEPZHVGVHI-UHFFFAOYSA-N 0 0 480.517 4.190 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000022925611 555977913 /nfs/dbraw/zinc/97/79/13/555977913.db2.gz VVYUAYDEXGYSGB-UHFFFAOYSA-N 0 0 494.655 4.360 50 0 JIAARN CSc1ccccc1NC(=O)CCN1CCN(Cc2ccc(Br)s2)CC1 ZINC000022931536 555984523 /nfs/dbraw/zinc/98/45/23/555984523.db2.gz RKYRXEKHYOQAFS-UHFFFAOYSA-N 0 0 454.459 4.379 50 0 JIAARN Cc1cccc(-c2nnc([C@@H](C)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)o2)c1 ZINC000022933001 555985522 /nfs/dbraw/zinc/98/55/22/555985522.db2.gz XONULUCDBQPMLU-QGZVFWFLSA-N 0 0 473.499 4.381 50 0 JIAARN COc1ccc(OC)c(CN2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)CC2)c1 ZINC000022933975 555986541 /nfs/dbraw/zinc/98/65/41/555986541.db2.gz ZCEHDRGIXAHFAL-HNNXBMFYSA-N 0 0 452.382 4.155 50 0 JIAARN Cc1nn2c(nc(COC(=O)c3cccc(NC(=O)c4cccc5ccccc54)c3)cc2=O)s1 ZINC000015771425 555989586 /nfs/dbraw/zinc/98/95/86/555989586.db2.gz SADLYTNDYXPGKZ-UHFFFAOYSA-N 0 0 470.510 4.222 50 0 JIAARN Cc1ccccc1C(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(CC(C)C)sc2n1 ZINC000015771850 555990794 /nfs/dbraw/zinc/99/07/94/555990794.db2.gz XJTHQCGZEQFALT-UHFFFAOYSA-N 0 0 476.558 4.267 50 0 JIAARN CCCCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3ccccc3C)cc2=O)s1 ZINC000015771956 555991058 /nfs/dbraw/zinc/99/10/58/555991058.db2.gz UYJRQEMOPYATCF-UHFFFAOYSA-N 0 0 476.558 4.411 50 0 JIAARN Cc1csc2nc(COC(=O)c3cccc(NC(=O)c4ccccc4Br)c3)cc(=O)n12 ZINC000015772067 555991327 /nfs/dbraw/zinc/99/13/27/555991327.db2.gz YQKPXUCWAHEYNJ-UHFFFAOYSA-N 0 0 498.358 4.436 50 0 JIAARN COc1ccc(CCN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1OC ZINC000012521148 555992211 /nfs/dbraw/zinc/99/22/11/555992211.db2.gz PILZBJZHGATWTF-UHFFFAOYSA-N 0 0 468.575 4.128 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556082198 /nfs/dbraw/zinc/08/21/98/556082198.db2.gz PWVLLSKCGZTCRW-UHFFFAOYSA-N 0 0 494.411 4.261 50 0 JIAARN COc1ccc(NC(=O)c2c3c(sc2NC(=O)CN2CCCC[C@@H]2C)CCC3)c(OC)c1 ZINC000015946648 556083348 /nfs/dbraw/zinc/08/33/48/556083348.db2.gz QVBHAVBUWFYIAB-HNNXBMFYSA-N 0 0 457.596 4.319 50 0 JIAARN O=C(Nc1cccc2cccnc21)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000023692205 556083603 /nfs/dbraw/zinc/08/36/03/556083603.db2.gz ISHNJIIWGSAXNF-UHFFFAOYSA-N 0 0 461.499 4.059 50 0 JIAARN CCOC(=O)c1sc2nc(CN3CCC(c4nc5ccccc5s4)CC3)[nH]c(=O)c2c1C ZINC000023828545 556090389 /nfs/dbraw/zinc/09/03/89/556090389.db2.gz DHXRQJJUKBSQAR-UHFFFAOYSA-N 0 0 468.604 4.459 50 0 JIAARN COc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc(OC)c1OCc1ccccc1 ZINC000023846160 556091702 /nfs/dbraw/zinc/09/17/02/556091702.db2.gz VSFDZEPHZLMBME-UHFFFAOYSA-N 0 0 468.594 4.048 50 0 JIAARN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)CC1 ZINC000023920759 556101080 /nfs/dbraw/zinc/10/10/80/556101080.db2.gz 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C[C@H](NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)c1cc2ccccc2o1 ZINC000023982868 556110364 /nfs/dbraw/zinc/11/03/64/556110364.db2.gz JICISKCIPKYHDF-HMILPKGGSA-N 0 0 467.525 4.300 50 0 JIAARN COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2I)c(OC)c1 ZINC000012781206 556111614 /nfs/dbraw/zinc/11/16/14/556111614.db2.gz CELZGNDYLQQSTF-SFHVURJKSA-N 0 0 466.319 4.084 50 0 JIAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000023989380 556112764 /nfs/dbraw/zinc/11/27/64/556112764.db2.gz ALKVHZGTKHBQGS-HHHXNRCGSA-N 0 0 496.611 4.410 50 0 JIAARN CCOC(=O)C1=C(CN2CCC[C@H](C(F)(F)F)C2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 ZINC000023990101 556114354 /nfs/dbraw/zinc/11/43/54/556114354.db2.gz ZUAYHBPOZGQAPA-OXJNMPFZSA-N 0 0 451.489 4.007 50 0 JIAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(F)cc2F)N2NC(C(F)(F)F)=NC2=N1 ZINC000016043501 556122732 /nfs/dbraw/zinc/12/27/32/556122732.db2.gz JHLRGDFHPLWKIO-KRWDZBQOSA-N 0 0 450.367 4.174 50 0 JIAARN CCCN(CC(=O)Nc1ccccc1OC)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000016044807 556125465 /nfs/dbraw/zinc/12/54/65/556125465.db2.gz JVCWXSXBUSTLJJ-UHFFFAOYSA-N 0 0 474.561 4.237 50 0 JIAARN CCCn1c(=O)c2cc(Br)ccc2nc1SCC(=O)Nc1nc(C)cs1 ZINC000024195482 556126668 /nfs/dbraw/zinc/12/66/68/556126668.db2.gz YYOSWUWTRGWGRU-UHFFFAOYSA-N 0 0 453.387 4.065 50 0 JIAARN COc1cc2cc(C(=O)O[C@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)[nH]c2c(OC)c1 ZINC000012908196 556127519 /nfs/dbraw/zinc/12/75/19/556127519.db2.gz ARALZKOIXJRRLN-LLVKDONJSA-N 0 0 452.385 4.268 50 0 JIAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2OC)N3)C1 ZINC000016185259 556128035 /nfs/dbraw/zinc/12/80/35/556128035.db2.gz GTBDVNZCURNWJU-INIZCTEOSA-N 0 0 466.357 4.463 50 0 JIAARN CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000016248290 556131023 /nfs/dbraw/zinc/13/10/23/556131023.db2.gz SITAKWIZLFBFDB-UHFFFAOYSA-N 0 0 476.664 4.214 50 0 JIAARN CS(=O)(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)c1cccc(Cl)c1Cl ZINC000016248304 556131100 /nfs/dbraw/zinc/13/11/00/556131100.db2.gz BOWUCOSTGHEPPJ-UHFFFAOYSA-N 0 0 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COc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)Cc3cccc(OC)c3OC)C2)c2ccccc12 ZINC000012925760 556144028 /nfs/dbraw/zinc/14/40/28/556144028.db2.gz LAXSPTWJRHCHPZ-HXUWFJFHSA-N 0 0 476.573 4.376 50 0 JIAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)N(C)Cc3cccc(OC)c3OC)C2)c2ccccc12 ZINC000012925764 556144087 /nfs/dbraw/zinc/14/40/87/556144087.db2.gz LAXSPTWJRHCHPZ-FQEVSTJZSA-N 0 0 476.573 4.376 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](C)Sc4ccccc43)CC2)cc1 ZINC000012928160 556146225 /nfs/dbraw/zinc/14/62/25/556146225.db2.gz JZKAPJBWCABZAM-KRWDZBQOSA-N 0 0 460.621 4.013 50 0 JIAARN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(C)nc3ccccc32)CC1 ZINC000024715816 556146790 /nfs/dbraw/zinc/14/67/90/556146790.db2.gz VPGIIPGYVNMFAO-HSZRJFAPSA-N 0 0 451.954 4.259 50 0 JIAARN CCc1cc2c(nc(SCC(=O)NC(=O)c3ccccc3)n(CCc3ccccc3)c2=O)s1 ZINC000012930553 556147618 /nfs/dbraw/zinc/14/76/18/556147618.db2.gz CTLPCEOZSDTZTR-UHFFFAOYSA-N 0 0 477.611 4.312 50 0 JIAARN CCOc1ccc(NC(=O)Nc2cccc([C@@H]3NC(=S)N(CC)C(C)=C3C(=O)OC)c2)cc1 ZINC000016611184 556147781 /nfs/dbraw/zinc/14/77/81/556147781.db2.gz YMWVTMGIFIRESQ-NRFANRHFSA-N 0 0 468.579 4.427 50 0 JIAARN Cc1ccc(S(=O)(=O)CCC(=O)N2CC3(CCCC3)c3cc4c(cc3[C@@H]2C)OCCO4)cc1 ZINC000024749217 556148635 /nfs/dbraw/zinc/14/86/35/556148635.db2.gz RZIZXFOPQIOFJJ-IBGZPJMESA-N 0 0 469.603 4.345 50 0 JIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012934643 556150238 /nfs/dbraw/zinc/15/02/38/556150238.db2.gz CWQISVPRBJJDHX-CQSZACIVSA-N 0 0 478.961 4.257 50 0 JIAARN COc1ccc(CNC(=O)[C@@H](C)SCc2cc(OC)c(OC)cc2Br)cc1OC ZINC000012937804 556151982 /nfs/dbraw/zinc/15/19/82/556151982.db2.gz ZWZKWNLMSOZVEK-CYBMUJFWSA-N 0 0 484.412 4.422 50 0 JIAARN O=C(c1cccs1)N1CCCC[C@H]1C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000012948290 556158989 /nfs/dbraw/zinc/15/89/89/556158989.db2.gz OBNRORWFBZFSNP-NRFANRHFSA-N 0 0 498.649 4.350 50 0 JIAARN CCOc1ccc(NC(=O)c2sc3nc(C)nc(C)c3c2C)cc1S(=O)(=O)N1CCCCC1 ZINC000012972114 556163696 /nfs/dbraw/zinc/16/36/96/556163696.db2.gz RQDNBHJQNRZCMF-UHFFFAOYSA-N 0 0 488.635 4.442 50 0 JIAARN O=C(C1CCN(c2ncnc3c4cccnc4sc32)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000016842233 556164157 /nfs/dbraw/zinc/16/41/57/556164157.db2.gz GQBYRZBBLPKPGB-UHFFFAOYSA-N 0 0 493.036 4.458 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1Br ZINC000012972804 556164276 /nfs/dbraw/zinc/16/42/76/556164276.db2.gz FLHBKIMEIPFXGP-QGZVFWFLSA-N 0 0 468.369 4.145 50 0 JIAARN CCn1c(SCC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)nnc1-c1cccc(C)c1 ZINC000012973053 556164647 /nfs/dbraw/zinc/16/46/47/556164647.db2.gz LYYBOHRUKLMNDN-UHFFFAOYSA-N 0 0 492.674 4.320 50 0 JIAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCc2nc(-c3ccccn3)no2)cc1 ZINC000016843256 556165276 /nfs/dbraw/zinc/16/52/76/556165276.db2.gz TXAFUNVBTSIPJR-UHFFFAOYSA-N 0 0 463.544 4.252 50 0 JIAARN CCCCn1c2ncn(C3CCCC3)c2c(=O)n(C[C@@H](O)COc2ccc(Cl)cc2Cl)c1=O ZINC000024971659 556165908 /nfs/dbraw/zinc/16/59/08/556165908.db2.gz QIGNWEQQGLDHKO-QGZVFWFLSA-N 0 0 495.407 4.022 50 0 JIAARN Cn1c(=O)c2scc(-c3ccccc3)c2nc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000016844982 556166674 /nfs/dbraw/zinc/16/66/74/556166674.db2.gz MQUQEPPSWBWQKU-UHFFFAOYSA-N 0 0 451.529 4.122 50 0 JIAARN COc1ccccc1[C@H]1[C@H](C(=O)Nc2ccc(-n3nccn3)nc2)CCC(=O)N1c1ccc(C)cc1 ZINC000024979312 556167774 /nfs/dbraw/zinc/16/77/74/556167774.db2.gz IKYZFBFMUCGUPC-GJZUVCINSA-N 0 0 482.544 4.102 50 0 JIAARN Cn1c(=O)c2scc(-c3ccccc3)c2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000016846641 556168782 /nfs/dbraw/zinc/16/87/82/556168782.db2.gz CJXPFOGRGZDVFE-UHFFFAOYSA-N 0 0 465.556 4.164 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccnn3Cc3ccccc3Cl)CC2)c(C)c1 ZINC000012976196 556168971 /nfs/dbraw/zinc/16/89/71/556168971.db2.gz LMJYABVOCZOQBB-UHFFFAOYSA-N 0 0 487.025 4.241 50 0 JIAARN O=C(Nc1ccc(I)cc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012976451 556169071 /nfs/dbraw/zinc/16/90/71/556169071.db2.gz VFSMECVGBGJVIM-FRXJQHJJSA-N 0 0 478.374 4.437 50 0 JIAARN CCOc1ccc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1S(=O)(=O)N(C)C ZINC000024984570 556169260 /nfs/dbraw/zinc/16/92/60/556169260.db2.gz LSYJDUFVHKVHAJ-UHFFFAOYSA-N 0 0 469.563 4.179 50 0 JIAARN CC(=O)c1ccc(NC(=O)Cn2c3ccccc3c3ncn(Cc4ccccc4)c(=O)c32)cc1 ZINC000016890757 556171872 /nfs/dbraw/zinc/17/18/72/556171872.db2.gz HKJYVPWEHHLWIW-UHFFFAOYSA-N 0 0 450.498 4.241 50 0 JIAARN C[C@H](NC(=O)c1ccc2c(c1)OCO2)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000016891320 556172834 /nfs/dbraw/zinc/17/28/34/556172834.db2.gz DJNMTXJJDLLVJN-XDHUDOTRSA-N 0 0 467.566 4.298 50 0 JIAARN COc1cccc(NC(=O)CN(C)C(=O)CN2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 ZINC000025035463 556172831 /nfs/dbraw/zinc/17/28/31/556172831.db2.gz OANVZAXSKWLUPR-UHFFFAOYSA-N 0 0 487.025 4.235 50 0 JIAARN COc1ccc(-c2csc(NC(=O)CCc3c(C)nc4nc(SC)nn4c3C)n2)cc1F ZINC000012979974 556173071 /nfs/dbraw/zinc/17/30/71/556173071.db2.gz HXLSUDJTQSLCCR-UHFFFAOYSA-N 0 0 472.571 4.306 50 0 JIAARN COc1ccccc1OC[C@@H](O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000016903018 556175093 /nfs/dbraw/zinc/17/50/93/556175093.db2.gz PDEKWRIVJNEVKC-NQIIRXRSSA-N 0 0 475.520 4.144 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)CCc3c(C)noc3C)cc2)cc1 ZINC000025128639 556180421 /nfs/dbraw/zinc/18/04/21/556180421.db2.gz PRDDTCRJXKJUIU-UHFFFAOYSA-N 0 0 458.536 4.053 50 0 JIAARN COc1cc2c(cc1OC)[C@@H]1CN(C(=O)c3c(C)onc3-c3c(F)cccc3Cl)CC(=O)N1CC2 ZINC000025142379 556181597 /nfs/dbraw/zinc/18/15/97/556181597.db2.gz GIHROGHZWHMWEP-SFHVURJKSA-N 0 0 499.926 4.042 50 0 JIAARN COc1cc(C(=S)N2CCN(C(=S)c3cccc(Br)c3)CC2)cc(OC)c1OC ZINC000016943500 556181693 /nfs/dbraw/zinc/18/16/93/556181693.db2.gz JCDLGCQLWWHYHN-UHFFFAOYSA-N 0 0 495.464 4.144 50 0 JIAARN C[C@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3ccnn3C3CCCCC3)ccc2Cl)C[C@H](C)O1 ZINC000012989064 556183137 /nfs/dbraw/zinc/18/31/37/556183137.db2.gz WTGOZGNPODVVTL-HOTGVXAUSA-N 0 0 481.018 4.092 50 0 JIAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)c2oc3ccccc3c2C)CC1 ZINC000025145901 556184525 /nfs/dbraw/zinc/18/45/25/556184525.db2.gz QNCQTVAHOWPQKS-UHFFFAOYSA-N 0 0 472.545 4.440 50 0 JIAARN Cc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)cs2)cc1 ZINC000012992227 556184754 /nfs/dbraw/zinc/18/47/54/556184754.db2.gz STWBNPVLFALPDJ-UHFFFAOYSA-N 0 0 479.986 4.058 50 0 JIAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c(C)n1C(C)C ZINC000012994492 556186768 /nfs/dbraw/zinc/18/67/68/556186768.db2.gz HQYOABJGGGIOIB-UHFFFAOYSA-N 0 0 458.411 4.139 50 0 JIAARN COC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2cccs2)c1 ZINC000016957244 556188221 /nfs/dbraw/zinc/18/82/21/556188221.db2.gz QSMKJXKNVDMNJB-NRFANRHFSA-N 0 0 477.542 4.209 50 0 JIAARN COc1ccc(CN2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000016957238 556188258 /nfs/dbraw/zinc/18/82/58/556188258.db2.gz JQPYOIPTIXYVIR-DEOSSOPVSA-N 0 0 473.529 4.378 50 0 JIAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccc(OCc3ccccc3)cc2)c1 ZINC000016957540 556188568 /nfs/dbraw/zinc/18/85/68/556188568.db2.gz GMUOLUAYLAGSRA-RUZDIDTESA-N 0 0 498.543 4.197 50 0 JIAARN CCOc1c(Cl)cc(/C=C/C(=O)N(CC)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC ZINC000012998999 556191634 /nfs/dbraw/zinc/19/16/34/556191634.db2.gz HEAXRVXQYZZJIW-KPKJPENVSA-N 0 0 473.957 4.206 50 0 JIAARN COc1ccccc1N1CCN([C@H](CNC(=O)c2cccc(Cl)c2)c2cccnc2)CC1 ZINC000016973405 556192517 /nfs/dbraw/zinc/19/25/17/556192517.db2.gz LBJWUDIYZFCCTP-HSZRJFAPSA-N 0 0 450.970 4.037 50 0 JIAARN CCOc1ccc([C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(C)C)cc1OCC ZINC000013000194 556192780 /nfs/dbraw/zinc/19/27/80/556192780.db2.gz BZYZYROTEPHSBH-CVDCTZTESA-N 0 0 494.679 4.460 50 0 JIAARN C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025152264 556193042 /nfs/dbraw/zinc/19/30/42/556193042.db2.gz ZDHMBCKUDHTQJH-NRFANRHFSA-N 0 0 476.617 4.222 50 0 JIAARN O=C(Nc1nc(CCC(=O)N2CCN(c3ccccc3F)CC2)cs1)NC1CCCCC1 ZINC000016978494 556194791 /nfs/dbraw/zinc/19/47/91/556194791.db2.gz QJJYNVKLYCVYTB-UHFFFAOYSA-N 0 0 459.591 4.018 50 0 JIAARN O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000013002725 556195629 /nfs/dbraw/zinc/19/56/29/556195629.db2.gz DWSNTLOKOVJJMC-UHFFFAOYSA-N 0 0 481.521 4.446 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(F)c(F)c3)c12 ZINC000016992963 556197029 /nfs/dbraw/zinc/19/70/29/556197029.db2.gz NBXSTJHBEQWLTR-QGZVFWFLSA-N 0 0 482.512 4.297 50 0 JIAARN COCCn1c(C)cc(O)c([C@@H](c2cccc(Cl)c2)N2CCN(c3ccccc3)CC2)c1=O ZINC000016993383 556197632 /nfs/dbraw/zinc/19/76/32/556197632.db2.gz ONXBPLCUCDXNKB-RUZDIDTESA-N 0 0 467.997 4.074 50 0 JIAARN Cc1cc(O)c([C@H](c2ccccc2)N2CCN(c3ccccc3F)CC2)c(=O)n1Cc1cccnc1 ZINC000016993850 556198305 /nfs/dbraw/zinc/19/83/05/556198305.db2.gz SLOWMGPJDVOJIN-NDEPHWFRSA-N 0 0 484.575 4.356 50 0 JIAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000013006838 556198504 /nfs/dbraw/zinc/19/85/04/556198504.db2.gz KBVNBUZTRMGYSC-DEOSSOPVSA-N 0 0 472.614 4.463 50 0 JIAARN Cc1cc(C)cc(NC(=O)CSc2nc3c(c(=O)n2CCc2ccccc2)SCC3)c1 ZINC000017010626 556200511 /nfs/dbraw/zinc/20/05/11/556200511.db2.gz BVTNNHFDMGTTBZ-UHFFFAOYSA-N 0 0 451.617 4.482 50 0 JIAARN Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2ncnc3c2cnn3-c2ccc(C)cc2C)n1 ZINC000017026097 556205423 /nfs/dbraw/zinc/20/54/23/556205423.db2.gz TUZCZZKQJMELMO-UHFFFAOYSA-N 0 0 455.497 4.247 50 0 JIAARN CC[S@](=O)c1ccccc1C(=O)OCC(=O)c1cc(C)n(C[C@H]2COc3ccccc3O2)c1C ZINC000025256519 556206483 /nfs/dbraw/zinc/20/64/83/556206483.db2.gz WPTDIYWAQCHUNO-GPWHBBDMSA-N 0 0 481.570 4.112 50 0 JIAARN COc1ccc(N2C[C@H](C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)CC2=O)c(OC)c1 ZINC000025278291 556207262 /nfs/dbraw/zinc/20/72/62/556207262.db2.gz WYJQOZHDBQFLAI-DLBZAZTESA-N 0 0 465.575 4.073 50 0 JIAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)CC2)c1 ZINC000025326118 556208645 /nfs/dbraw/zinc/20/86/45/556208645.db2.gz FKWMAKCJCYUVSY-HSZRJFAPSA-N 0 0 481.593 4.447 50 0 JIAARN COc1ccc(OCCN2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3ccccc3)CC2)cc1 ZINC000013017025 556209322 /nfs/dbraw/zinc/20/93/22/556209322.db2.gz HVGMLBRZOVVHIZ-UHFFFAOYSA-N 0 0 496.611 4.444 50 0 JIAARN COc1cc(C(=O)NCCc2nc3ccccc3n2Cc2ccccc2F)cc(OC)c1OC ZINC000013017371 556209670 /nfs/dbraw/zinc/20/96/70/556209670.db2.gz TVTSFYNNRDQVHG-UHFFFAOYSA-N 0 0 463.509 4.222 50 0 JIAARN CN(CC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000025393264 556212652 /nfs/dbraw/zinc/21/26/52/556212652.db2.gz CGHRBENGEVFAAB-UHFFFAOYSA-N 0 0 463.983 4.434 50 0 JIAARN COc1ccc(-c2noc(-c3c(N)n(CC(=O)Nc4ccc(C)c(C)c4)nc3SC)n2)cc1 ZINC000017052824 556213684 /nfs/dbraw/zinc/21/36/84/556213684.db2.gz AMWHMDLMNRKKSE-UHFFFAOYSA-N 0 0 464.551 4.168 50 0 JIAARN O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000017052712 556213692 /nfs/dbraw/zinc/21/36/92/556213692.db2.gz DZAOOHOIRIBVQR-UHFFFAOYSA-N 0 0 465.358 4.400 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc1)CC2 ZINC000017064830 556215113 /nfs/dbraw/zinc/21/51/13/556215113.db2.gz QRHTZVYSGQSIHJ-UHFFFAOYSA-N 0 0 480.586 4.036 50 0 JIAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1OCC ZINC000025449917 556216086 /nfs/dbraw/zinc/21/60/86/556216086.db2.gz VJUKOMOCLKIBLJ-UHFFFAOYSA-N 0 0 453.539 4.254 50 0 JIAARN C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(NCCc4ccc5c(c4)OCCO5)c23)C1 ZINC000025460818 556217018 /nfs/dbraw/zinc/21/70/18/556217018.db2.gz HAMHIEWUIKDWFY-KRWDZBQOSA-N 0 0 480.634 4.074 50 0 JIAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCCCN1CCOCC1 ZINC000025463359 556217296 /nfs/dbraw/zinc/21/72/96/556217296.db2.gz PYMGFFBWUQNXJV-FMIVXFBMSA-N 0 0 450.970 4.044 50 0 JIAARN COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc(C)c(Cl)c3)s2)cc1OC ZINC000017120521 556218931 /nfs/dbraw/zinc/21/89/31/556218931.db2.gz OAZUUNPLPOWGDZ-UHFFFAOYSA-N 0 0 473.982 4.395 50 0 JIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CCOc3ccccc3)CC2)cc1 ZINC000013026830 556219485 /nfs/dbraw/zinc/21/94/85/556219485.db2.gz PFERAUYGTPIUTH-UHFFFAOYSA-N 0 0 482.584 4.385 50 0 JIAARN Cc1cccc(C)c1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc4c(c3)OCO4)no2)c1=O ZINC000017135784 556223188 /nfs/dbraw/zinc/22/31/88/556223188.db2.gz DJMIZSDEABHLPA-UHFFFAOYSA-N 0 0 472.501 4.166 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000013030285 556225335 /nfs/dbraw/zinc/22/53/35/556225335.db2.gz LDUDRZGPSVLYLF-AWEZNQCLSA-N 0 0 452.780 4.159 50 0 JIAARN O=C(OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000025693608 556230453 /nfs/dbraw/zinc/23/04/53/556230453.db2.gz UNLFUNMHNNKFCF-UIOOFZCWSA-N 0 0 486.568 4.259 50 0 JIAARN O=C(c1ccco1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000017169610 556230755 /nfs/dbraw/zinc/23/07/55/556230755.db2.gz VWSPRCDPZMZONZ-UHFFFAOYSA-N 0 0 461.337 4.436 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Cc1ccc3c(c1)OCCO3)CC2 ZINC000013037846 556233443 /nfs/dbraw/zinc/23/34/43/556233443.db2.gz IHRMYBKDENBUGE-VWLOTQADSA-N 0 0 451.544 4.253 50 0 JIAARN CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)nc1C ZINC000013038809 556237773 /nfs/dbraw/zinc/23/77/73/556237773.db2.gz VHRGKHZGAAXVOA-UHFFFAOYSA-N 0 0 493.994 4.359 50 0 JIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000025906671 556238821 /nfs/dbraw/zinc/23/88/21/556238821.db2.gz UERACRQAFPMYQF-UHFFFAOYSA-N 0 0 483.974 4.087 50 0 JIAARN COc1ccc(-c2nc3n(n2)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1 ZINC000017243615 556244705 /nfs/dbraw/zinc/24/47/05/556244705.db2.gz GDLHBKZWMOLRPC-QHCPKHFHSA-N 0 0 468.517 4.285 50 0 JIAARN Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000013040828 556244719 /nfs/dbraw/zinc/24/47/19/556244719.db2.gz JISYXKYGXKWAEI-UHFFFAOYSA-N 0 0 469.910 4.250 50 0 JIAARN COc1ccccc1-c1nc2n(n1)[C@@H](c1ccc(F)cc1)C(C(=O)Nc1cccnc1)=C(C)N2 ZINC000017243693 556244963 /nfs/dbraw/zinc/24/49/63/556244963.db2.gz DHFBGIUQRFIAOD-QFIPXVFZSA-N 0 0 456.481 4.415 50 0 JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@@H]1c1cccc(OC)c1OC ZINC000017243851 556245019 /nfs/dbraw/zinc/24/50/19/556245019.db2.gz QFQASEIXYHFYBL-JOCHJYFZSA-N 0 0 487.516 4.492 50 0 JIAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N[C@H](C)[C@H](O)c3ccc(O)cc3)c2c1C ZINC000013041331 556246541 /nfs/dbraw/zinc/24/65/41/556246541.db2.gz MFUXEDDIQLCWCX-IERDGZPVSA-N 0 0 484.622 4.402 50 0 JIAARN CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c1 ZINC000013042088 556248362 /nfs/dbraw/zinc/24/83/62/556248362.db2.gz JIHBGAZXGBQMBQ-GGPKGHCWSA-N 0 0 480.561 4.242 50 0 JIAARN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(F)c3)nc2O)cc1 ZINC000017271442 556250168 /nfs/dbraw/zinc/25/01/68/556250168.db2.gz GYBWSWKGFPTGKC-UHFFFAOYSA-N 0 0 475.567 4.228 50 0 JIAARN Cn1c2ccccc2n(CC(=O)N[C@@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)c1=O ZINC000026130394 556250180 /nfs/dbraw/zinc/25/01/80/556250180.db2.gz LAWGPVFUJUKHPT-QFIPXVFZSA-N 0 0 479.462 4.141 50 0 JIAARN Cc1cc(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)n(-c2ccccc2)n1 ZINC000017273461 556250243 /nfs/dbraw/zinc/25/02/43/556250243.db2.gz FJBWBJNTLOCTJO-UHFFFAOYSA-N 0 0 450.593 4.490 50 0 JIAARN CCc1ccccc1-n1cnnc1SCC(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC000026178467 556250493 /nfs/dbraw/zinc/25/04/93/556250493.db2.gz MHPHYIDHYGGPNV-GOSISDBHSA-N 0 0 492.674 4.437 50 0 JIAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000013057727 556252915 /nfs/dbraw/zinc/25/29/15/556252915.db2.gz VWECLGRTBUJHQW-JENIJYKNSA-N 0 0 451.592 4.427 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(Cc3ccccc3F)C3CC3)ccc2Cl)C[C@@H](C)O1 ZINC000026393757 556253137 /nfs/dbraw/zinc/25/31/37/556253137.db2.gz YRQZCRKGDDTBCR-HZPDHXFCSA-N 0 0 480.989 4.082 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 ZINC000013058078 556253233 /nfs/dbraw/zinc/25/32/33/556253233.db2.gz QSIGYRIRGOYCTD-UHFFFAOYSA-N 0 0 498.674 4.293 50 0 JIAARN COc1ccc(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)cc1OC ZINC000013058511 556253935 /nfs/dbraw/zinc/25/39/35/556253935.db2.gz CHTREVFKZAFNGT-UHFFFAOYSA-N 0 0 478.929 4.227 50 0 JIAARN CCOc1ccc(CCC2CCN(C(=O)Cn3cnc4c5ccccc5oc4c3=O)CC2)cc1 ZINC000026511150 556255454 /nfs/dbraw/zinc/25/54/54/556255454.db2.gz GHCMZJQQYFVNCT-UHFFFAOYSA-N 0 0 459.546 4.413 50 0 JIAARN CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)n2)cc1 ZINC000017314980 556256333 /nfs/dbraw/zinc/25/63/33/556256333.db2.gz KBCRCNZERFXZIN-UHFFFAOYSA-N 0 0 492.395 4.466 50 0 JIAARN Cc1ccc(NC(=O)COC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)cc1 ZINC000013063583 556260550 /nfs/dbraw/zinc/26/05/50/556260550.db2.gz HBWMZMRXLKKJJK-UHFFFAOYSA-N 0 0 460.555 4.472 50 0 JIAARN O=C([C@H]1[C@@H](c2c(F)cccc2Cl)NC(=O)N[C@]1(O)c1ccc(Cl)cc1)C(F)(F)F ZINC000017467067 556261138 /nfs/dbraw/zinc/26/11/38/556261138.db2.gz XVNBYWYFFIBRGH-CPUCHLNUSA-N 0 0 451.203 4.079 50 0 JIAARN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cc1OC ZINC000026771615 556261205 /nfs/dbraw/zinc/26/12/05/556261205.db2.gz HAOKTXOIGZTZHY-PQHGNZOGSA-N 0 0 465.546 4.341 50 0 biogenic JIAARN CCc1nn2c(nc(CN(C)Cc3ccc(-c4ccc(Br)cc4)o3)cc2=O)s1 ZINC000026850864 556264779 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C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)C1=O ZINC000032963841 563109828 /nfs/dbraw/zinc/10/98/28/563109828.db2.gz JMOBCUWOLSSDIP-QHCPKHFHSA-N 0 0 474.483 4.101 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)c1 ZINC000057350812 563206532 /nfs/dbraw/zinc/20/65/32/563206532.db2.gz UDPDSZFJZSJCLB-JOCHJYFZSA-N 0 0 477.630 4.304 50 0 JIAARN Cc1ccccc1N1CCN(CCN2C(=O)CC(=C3c4ccccc4-c4ccccc43)C2=O)CC1 ZINC000059860292 563209389 /nfs/dbraw/zinc/20/93/89/563209389.db2.gz PJGKOICLEJOFNL-UHFFFAOYSA-N 0 0 463.581 4.358 50 0 JIAARN CCCCCCNC(=O)c1cnc2ccc(S(=O)(=O)N(CC)c3cccc(C)c3)cc2c1O ZINC000006296505 569588724 /nfs/dbraw/zinc/58/87/24/569588724.db2.gz XKGXAYOEDJKNDZ-UHFFFAOYSA-N 0 0 469.607 4.362 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000008430675 569589486 /nfs/dbraw/zinc/58/94/86/569589486.db2.gz FYUWKVCTKPQPIO-UHFFFAOYSA-N 0 0 495.384 4.498 50 0 JIAARN Cc1cc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)n[nH]2)cc1C 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/nfs/dbraw/zinc/59/42/47/569594247.db2.gz JJQBHRGUWIVISB-SFHVURJKSA-N 0 0 466.557 4.250 50 0 JIAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)N1CCN(c2cccc(OC)c2)[C@H](C)C1 ZINC000057058892 569594276 /nfs/dbraw/zinc/59/42/76/569594276.db2.gz LWNJXRFVKUGEFA-CVEARBPZSA-N 0 0 484.984 4.154 50 0 JIAARN O=C(C[C@H]1C=CCC1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000008708175 569595071 /nfs/dbraw/zinc/59/50/71/569595071.db2.gz XYJIULFAYWJHMK-KRWDZBQOSA-N 0 0 475.998 4.272 50 0 JIAARN CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)CC2)c(F)c1 ZINC000057270845 569595275 /nfs/dbraw/zinc/59/52/75/569595275.db2.gz YIBBDFIEMAJPTI-UHFFFAOYSA-N 0 0 467.541 4.221 50 0 JIAARN O=C(CN[C@@H](c1ccco1)c1ccccc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000057290163 569595739 /nfs/dbraw/zinc/59/57/39/569595739.db2.gz UFMVUSWLOCYNCK-HSZRJFAPSA-N 0 0 473.982 4.035 50 0 JIAARN COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3O)CC2)c1 ZINC000057312692 569596287 /nfs/dbraw/zinc/59/62/87/569596287.db2.gz 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CC(C)c1ccccc1-n1c(SCC(=O)Nc2ccccc2C(N)=O)nnc1-c1cccnc1 ZINC000008723979 569599445 /nfs/dbraw/zinc/59/94/45/569599445.db2.gz BGIVHINJHLWOJS-UHFFFAOYSA-N 0 0 472.574 4.282 50 0 JIAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000008724250 569599614 /nfs/dbraw/zinc/59/96/14/569599614.db2.gz WHDCMYKERFBSMS-UHFFFAOYSA-N 0 0 473.485 4.415 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nncn2-c2ccccc2OC)cc1 ZINC000008724645 569599862 /nfs/dbraw/zinc/59/98/62/569599862.db2.gz OYCRXYQCMAWNBP-UHFFFAOYSA-N 0 0 489.557 4.268 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)NCCc1cccs1 ZINC000008724665 569599901 /nfs/dbraw/zinc/59/99/01/569599901.db2.gz NHBYQQHWZGXRFK-UHFFFAOYSA-N 0 0 457.527 4.176 50 0 JIAARN CC(=O)c1ccc(NC(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)cc1 ZINC000008727632 569601338 /nfs/dbraw/zinc/60/13/38/569601338.db2.gz RDWDVPOLXPVMPZ-UHFFFAOYSA-N 0 0 467.570 4.326 50 0 JIAARN COc1ccccc1Cn1c(=O)c2sccc2nc1SCC(=O)N(C)C1CCCCC1 ZINC000057425638 569601490 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474.439 4.435 50 0 JIAARN Cc1c(NC(=O)c2ccccc2CSc2nc(C)cc(C)n2)c(=O)n(-c2ccccc2)n1C ZINC000032973856 569605208 /nfs/dbraw/zinc/60/52/08/569605208.db2.gz YANLGAPYFAUGEB-UHFFFAOYSA-N 0 0 459.575 4.436 50 0 JIAARN CCc1nn(-c2ccccc2)c2c1CN(C(=O)NCCOC)[C@H](c1cccc(OC)c1)c1cccn1-2 ZINC000032977746 569606537 /nfs/dbraw/zinc/60/65/37/569606537.db2.gz NSRMMCJOCUHRLQ-AREMUKBSSA-N 0 0 485.588 4.495 50 0 JIAARN O=C(Nc1cccc(-n2cnnn2)c1)c1cccnc1Sc1ccc(Br)cc1 ZINC000032978568 569606542 /nfs/dbraw/zinc/60/65/42/569606542.db2.gz INRXPMGEAWVADZ-UHFFFAOYSA-N 0 0 453.325 4.223 50 0 JIAARN CCOc1c(Br)cc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cc1OC ZINC000060127683 569608543 /nfs/dbraw/zinc/60/85/43/569608543.db2.gz ZJNMFLMQIQAQSI-OAHLLOKOSA-N 0 0 462.262 4.339 50 0 JIAARN CC[C@]1(c2ccc(NC(=O)c3nc(C)n(-c4ccccc4C(C)C)n3)cc2)CCC(=O)NC1=O ZINC000060335649 569608829 /nfs/dbraw/zinc/60/88/29/569608829.db2.gz JXFOFOBXAFKARI-AREMUKBSSA-N 0 0 459.550 4.036 50 0 JIAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc4ccccc4nc3N3CCCC3)ccc21 ZINC000060364233 569608985 /nfs/dbraw/zinc/60/89/85/569608985.db2.gz VJLLWVGVMZINGO-QGZVFWFLSA-N 0 0 457.530 4.172 50 0 JIAARN COc1ccc(NC(=O)c2nnc(CSCC(=O)N[C@@H](C)CCc3ccccc3)s2)cc1 ZINC000032987018 569609115 /nfs/dbraw/zinc/60/91/15/569609115.db2.gz MYFFULHUCLVZFF-INIZCTEOSA-N 0 0 470.620 4.170 50 0 JIAARN COc1ccc(CCNC(=O)CC/C(C)=C/Cc2c(O)c3c(c(C)c2OC)COC3=O)cc1OC ZINC000062001316 569610204 /nfs/dbraw/zinc/61/02/04/569610204.db2.gz CULOCSXJAVCCCF-OMCISZLKSA-N 0 0 483.561 4.025 50 0 biogenic JIAARN Cc1ccccc1NC(=O)c1nnc(CCCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000032995350 569610210 /nfs/dbraw/zinc/61/02/10/569610210.db2.gz WAVJOANFQSSEGQ-UHFFFAOYSA-N 0 0 484.025 4.424 50 0 JIAARN COc1ccc(-c2nn3c(nc(CNC(=O)Nc4ccc(C)c(Cl)c4)cc3=O)s2)cc1 ZINC000032996077 569610507 /nfs/dbraw/zinc/61/05/07/569610507.db2.gz YYDDWXXCNPXALH-UHFFFAOYSA-N 0 0 455.927 4.110 50 0 JIAARN Cc1ccc(O[C@H](C)C(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c(Br)c1 ZINC000062575453 569611594 /nfs/dbraw/zinc/61/15/94/569611594.db2.gz TYQQCMVMPKQCIG-UKRRQHHQSA-N 0 0 476.289 4.100 50 0 JIAARN Cc1ccc(O[C@H](C)C(=O)NC[C@H](O)COc2ccc(C(F)(F)F)cc2)c(Br)c1 ZINC000062575450 569611603 /nfs/dbraw/zinc/61/16/03/569611603.db2.gz TYQQCMVMPKQCIG-HIFRSBDPSA-N 0 0 476.289 4.100 50 0 JIAARN CC(=O)Nc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000062581042 569611846 /nfs/dbraw/zinc/61/18/46/569611846.db2.gz ICQDXWDPPIZMGJ-UHFFFAOYSA-N 0 0 478.014 4.263 50 0 JIAARN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000062602698 569612824 /nfs/dbraw/zinc/61/28/24/569612824.db2.gz DTVQCAOBPCWNGQ-UHFFFAOYSA-N 0 0 485.382 4.361 50 0 JIAARN COC(=O)c1ccccc1NC(=O)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1 ZINC000032999111 569613413 /nfs/dbraw/zinc/61/34/13/569613413.db2.gz XOQIFNDDIRPONI-UHFFFAOYSA-N 0 0 461.522 4.145 50 0 JIAARN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000062626939 569613773 /nfs/dbraw/zinc/61/37/73/569613773.db2.gz PXLHETDPPGAUEH-MRXNPFEDSA-N 0 0 492.428 4.480 50 0 JIAARN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000062637678 569613873 /nfs/dbraw/zinc/61/38/73/569613873.db2.gz ACFGWCGLMRGODI-LJQANCHMSA-N 0 0 478.376 4.458 50 0 JIAARN CCOC(=O)c1ccc(N2CCCN(C(=O)Nc3cccc(COC[C@H]4CCCCO4)c3)CC2)nc1 ZINC000062633011 569613950 /nfs/dbraw/zinc/61/39/50/569613950.db2.gz QEKPRPNMYKNDDA-XMMPIXPASA-N 0 0 496.608 4.088 50 0 JIAARN COc1ccc([C@H](CNC(=O)CN2c3ccccc3[C@@H](C(N)=O)C[C@H]2C)c2c[nH]c3ccccc32)cc1 ZINC000062640159 569614084 /nfs/dbraw/zinc/61/40/84/569614084.db2.gz RJOPHKPUZPBPFF-NGXZDTIWSA-N 0 0 496.611 4.292 50 0 JIAARN COc1ccc(CNC(=O)c2ccc(Cn3c4cc(C)c(C)cc4nc(C)c3=O)cc2)c(OC)c1 ZINC000033006111 569614656 /nfs/dbraw/zinc/61/46/56/569614656.db2.gz QOYWHNVPWQIREA-UHFFFAOYSA-N 0 0 471.557 4.317 50 0 JIAARN Cc1ccc(Cn2c3ccccc3nc(SCC(=O)N3CCN(Cc4ccccc4)CC3)c2=O)cc1 ZINC000033006761 569614872 /nfs/dbraw/zinc/61/48/72/569614872.db2.gz DVXOEVKEVLODCG-UHFFFAOYSA-N 0 0 498.652 4.190 50 0 JIAARN Cc1cccc(N2CCN(CCNC(=O)[C@@H](C)N3c4ccccc4SC(C)(C)CC3=O)CC2)c1C ZINC000063502573 569615288 /nfs/dbraw/zinc/61/52/88/569615288.db2.gz BKSDOIVOOUQAEF-JOCHJYFZSA-N 0 0 494.705 4.238 50 0 JIAARN CC(C)CCNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2cccc(Cl)c2)c1=O ZINC000064438443 569616648 /nfs/dbraw/zinc/61/66/48/569616648.db2.gz OSQIHLGRIWSWSN-UHFFFAOYSA-N 0 0 455.986 4.198 50 0 JIAARN Cc1c(-c2nc(-c3ccncc3)no2)sc2ncn(CC(=O)Nc3c(C)cc(C)cc3C)c(=O)c12 ZINC000064439254 569616797 /nfs/dbraw/zinc/61/67/97/569616797.db2.gz GVOQPOSGZVNRRY-UHFFFAOYSA-N 0 0 486.557 4.442 50 0 JIAARN CC[C@H](C)NC(=O)Cn1cnc2sc(-c3nc(-c4ccc(Cl)cc4)no3)c(C)c2c1=O ZINC000064439285 569616956 /nfs/dbraw/zinc/61/69/56/569616956.db2.gz SSDHHIAERDIPKY-NSHDSACASA-N 0 0 457.943 4.052 50 0 JIAARN COc1ccc(OC)c(CNS(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)c1 ZINC000064450498 569617062 /nfs/dbraw/zinc/61/70/62/569617062.db2.gz CBDACZSDQUZVHK-UHFFFAOYSA-N 0 0 471.560 4.269 50 0 JIAARN CC(C)CNC(=O)N1CCN(c2nn3c(nc(-c4ccc(F)cc4)c3NC3CCCC3)s2)CC1 ZINC000064450927 569617475 /nfs/dbraw/zinc/61/74/75/569617475.db2.gz BCWNRIPZZSHSTM-UHFFFAOYSA-N 0 0 485.633 4.439 50 0 JIAARN COc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4cc(OC)ccc4OC)c3)n2)cc1 ZINC000033012404 569617488 /nfs/dbraw/zinc/61/74/88/569617488.db2.gz KBVUBIPTDPPWKL-UHFFFAOYSA-N 0 0 461.474 4.447 50 0 JIAARN COc1cccc(CNC(=O)COC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c1 ZINC000033013892 569617652 /nfs/dbraw/zinc/61/76/52/569617652.db2.gz GVUBUCNDKZXFDA-UHFFFAOYSA-N 0 0 475.570 4.045 50 0 JIAARN COC(=O)c1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000064558273 569618628 /nfs/dbraw/zinc/61/86/28/569618628.db2.gz CUXFRONGDDDYNS-JOCHJYFZSA-N 0 0 477.538 4.109 50 0 JIAARN Cn1nc(COCc2ccc(F)cc2Cl)c2c1CCN(C(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000064565831 569619281 /nfs/dbraw/zinc/61/92/81/569619281.db2.gz VIUCMWZYTVFJPP-UHFFFAOYSA-N 0 0 472.904 4.248 50 0 JIAARN CCOc1ccc(CNC(=O)c2cccc(NC(=O)c3nnc(C4CC4)s3)c2)cc1OC ZINC000033023066 569619350 /nfs/dbraw/zinc/61/93/50/569619350.db2.gz UXZAHMAYXVXUSC-UHFFFAOYSA-N 0 0 452.536 4.005 50 0 JIAARN Cn1nc(-c2nnc(-c3ccc(F)cc3)o2)c2c1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC000064566565 569619366 /nfs/dbraw/zinc/61/93/66/569619366.db2.gz IDLKHEDGDKTJCN-UHFFFAOYSA-N 0 0 495.580 4.321 50 0 JIAARN COc1ccc(OC)c(NC(=O)N2CCc3c(c(COCc4ccc(Cl)cc4)nn3C)C2)c1 ZINC000064565863 569619389 /nfs/dbraw/zinc/61/93/89/569619389.db2.gz QCBBGZZSCOQTBM-UHFFFAOYSA-N 0 0 470.957 4.398 50 0 JIAARN CC[C@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cc(C)cc(C)c4)CC3)ccc21 ZINC000033023180 569619397 /nfs/dbraw/zinc/61/93/97/569619397.db2.gz HKKIWIQGZCUULM-SFHVURJKSA-N 0 0 469.611 4.059 50 0 JIAARN Cc1ccc(Cn2c(=O)c(N3CCN(C(=O)Nc4cccc(C)c4C)CC3)nc3cccnc32)cc1 ZINC000064567552 569619835 /nfs/dbraw/zinc/61/98/35/569619835.db2.gz SHUSJAYYEBKREW-UHFFFAOYSA-N 0 0 482.588 4.119 50 0 JIAARN Cc1ccc(Cn2c(=O)c(N3CCN(C(=O)Nc4ccccc4Cl)CC3)nc3cccnc32)cc1 ZINC000064567548 569619857 /nfs/dbraw/zinc/61/98/57/569619857.db2.gz NJHSISLNMUDLFD-UHFFFAOYSA-N 0 0 488.979 4.156 50 0 JIAARN Cc1ccc(Cn2c(=O)c(N3CCC(NC(=O)Nc4cccc(F)c4)CC3)nc3cccnc32)cc1 ZINC000064579253 569620154 /nfs/dbraw/zinc/62/01/54/569620154.db2.gz CEDQJNOFJCKJMH-UHFFFAOYSA-N 0 0 486.551 4.078 50 0 JIAARN CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3c(C)cc(C)cc3C)nc2O)cc1 ZINC000064592046 569622251 /nfs/dbraw/zinc/62/22/51/569622251.db2.gz FRWHRZUDAPSWKZ-UHFFFAOYSA-N 0 0 471.604 4.233 50 0 JIAARN Cc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)cc(NC(=O)c3ccccc3)c2=O)cc1 ZINC000064605167 569622545 /nfs/dbraw/zinc/62/25/45/569622545.db2.gz QSHFTVCIHBZEPA-UHFFFAOYSA-N 0 0 452.514 4.418 50 0 JIAARN Cc1ccc(-c2cc(NC(=O)c3ccccc3)c(=O)n(CC(=O)Nc3ccccc3F)n2)cc1 ZINC000064605158 569622597 /nfs/dbraw/zinc/62/25/97/569622597.db2.gz UUFIILGWUNAMKA-UHFFFAOYSA-N 0 0 456.477 4.249 50 0 JIAARN Cc1ccc(-c2nc3n(n2)c(=O)c(Cc2ccccc2)c(C)n3CC(=O)N2CCCC[C@@H]2C)cc1 ZINC000033324765 569623612 /nfs/dbraw/zinc/62/36/12/569623612.db2.gz YWZTYISQVWHUKB-FQEVSTJZSA-N 0 0 469.589 4.167 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000064665344 569623682 /nfs/dbraw/zinc/62/36/82/569623682.db2.gz PKRINNMZPPTWIB-UHFFFAOYSA-N 0 0 453.340 4.252 50 0 JIAARN CCCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2c3cccnc3sc2c1=O ZINC000064699770 569624054 /nfs/dbraw/zinc/62/40/54/569624054.db2.gz MPPGOFBFMWMODQ-UHFFFAOYSA-N 0 0 482.587 4.324 50 0 JIAARN COc1cccc(CN2CCc3nc(SCC(=O)Nc4ccc(F)c(Cl)c4)[nH]c(=O)c3C2)c1 ZINC000033331823 569624483 /nfs/dbraw/zinc/62/44/83/569624483.db2.gz ADLYDQXQQMNBDK-UHFFFAOYSA-N 0 0 488.972 4.272 50 0 JIAARN COc1ccccc1CNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704398 569624825 /nfs/dbraw/zinc/62/48/25/569624825.db2.gz VYODCFZMUDZSOG-UHFFFAOYSA-N 0 0 478.622 4.429 50 0 JIAARN CC(C)(C)Nc1c(-c2ccccc2)nc2sc(N3CCN(CC(=O)N4CCCCCC4)CC3)nn21 ZINC000064746788 569625719 /nfs/dbraw/zinc/62/57/19/569625719.db2.gz XZMKUQAHFOYIKX-UHFFFAOYSA-N 0 0 495.697 4.193 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC ZINC000064762071 569626309 /nfs/dbraw/zinc/62/63/09/569626309.db2.gz NCZBEWFVZFONGQ-UHFFFAOYSA-N 0 0 450.516 4.311 50 0 JIAARN Cc1ccc(S(=O)(=O)c2ccc(N3CCC(C(=O)Nc4c(C)cc(C)cc4C)CC3)nn2)cc1 ZINC000064775324 569627503 /nfs/dbraw/zinc/62/75/03/569627503.db2.gz WETYCTMTYJGDGT-UHFFFAOYSA-N 0 0 478.618 4.398 50 0 JIAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4cc(C)ccc4OC)c(=O)n23)c1 ZINC000064788073 569628204 /nfs/dbraw/zinc/62/82/04/569628204.db2.gz GQDSBHAZRPXMET-UHFFFAOYSA-N 0 0 451.504 4.010 50 0 JIAARN Cc1cc(Nc2ccc(C(=O)N3CCc4ccccc4C3)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791472 569629069 /nfs/dbraw/zinc/62/90/69/569629069.db2.gz LZLUOALBPHAHIB-UHFFFAOYSA-N 0 0 461.529 4.437 50 0 JIAARN Cc1ccccc1CNC(=O)CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccc(Cl)cc1 ZINC000064792941 569629364 /nfs/dbraw/zinc/62/93/64/569629364.db2.gz HWZDZXAEJRDHEQ-XMMPIXPASA-N 0 0 470.964 4.402 50 0 JIAARN Cc1ccccc1NC(=O)CSc1nnc(-c2sc3ncccc3c2N)n1C[C@@H]1CCCO1 ZINC000064794567 569629960 /nfs/dbraw/zinc/62/99/60/569629960.db2.gz WTBUGQKUJHDGTR-HNNXBMFYSA-N 0 0 480.619 4.355 50 0 JIAARN COc1ccc(-c2nc(SCCN3CCOCC3)[nH]c2-c2ccc(OC)c(OC)c2)cc1OC ZINC000033677501 569630711 /nfs/dbraw/zinc/63/07/11/569630711.db2.gz APOHSJLQQBZGGT-UHFFFAOYSA-N 0 0 485.606 4.202 50 0 JIAARN CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c(S(=O)(=O)c3ccc(OC)cc3)csc21 ZINC000064798951 569630878 /nfs/dbraw/zinc/63/08/78/569630878.db2.gz UEDFGFAGTGILFM-KRWDZBQOSA-N 0 0 473.572 4.471 50 0 JIAARN Cc1ccc(Nc2nc(C)cc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)n2)cc1 ZINC000064800603 569631292 /nfs/dbraw/zinc/63/12/92/569631292.db2.gz PJHFXKUUHAPNIU-UHFFFAOYSA-N 0 0 457.987 4.001 50 0 JIAARN CCOc1ccc(NC(=O)Cc2c(C)n(Cc3ccccc3)c3nc(-c4ccccc4)nn3c2=O)cc1 ZINC000064813673 569632071 /nfs/dbraw/zinc/63/20/71/569632071.db2.gz VPHUFWUIKWCKRS-UHFFFAOYSA-N 0 0 493.567 4.495 50 0 JIAARN COc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000064815312 569632426 /nfs/dbraw/zinc/63/24/26/569632426.db2.gz IUEAVIAXUPCXQF-SANMLTNESA-N 0 0 490.560 4.495 50 0 JIAARN COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4ccco4)cc3C(=O)N2c2cccc(F)c2)cc1 ZINC000064815996 569632936 /nfs/dbraw/zinc/63/29/36/569632936.db2.gz BSPCDXXVTJPMEN-SANMLTNESA-N 0 0 474.492 4.026 50 0 JIAARN COc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2cccc(C)c2)cc1 ZINC000064816061 569633022 /nfs/dbraw/zinc/63/30/22/569633022.db2.gz GCQUVCXUIGKXEN-HHHXNRCGSA-N 0 0 470.529 4.196 50 0 JIAARN COc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000064816105 569633177 /nfs/dbraw/zinc/63/31/77/569633177.db2.gz IXVTZSOPIYQUOK-SANMLTNESA-N 0 0 474.492 4.026 50 0 JIAARN COc1ccc(CN2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000064816169 569633256 /nfs/dbraw/zinc/63/32/56/569633256.db2.gz SGDBSCWWJCKXOB-MUUNZHRXSA-N 0 0 484.556 4.191 50 0 JIAARN Cc1ccccc1CN1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000064816227 569633368 /nfs/dbraw/zinc/63/33/68/569633368.db2.gz JHNRVKAZGAEWKC-HHHXNRCGSA-N 0 0 454.530 4.183 50 0 JIAARN COc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NC(C)(C)C)cc1Cl ZINC000064816309 569633393 /nfs/dbraw/zinc/63/33/93/569633393.db2.gz FQQMMLJODDKKCI-QHCPKHFHSA-N 0 0 456.930 4.139 50 0 JIAARN Cc1ccccc1CNC(=O)[C@@]1(C)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccccc1C ZINC000064816379 569633498 /nfs/dbraw/zinc/63/34/98/569633498.db2.gz AQXJVSONFMJEIW-MUUNZHRXSA-N 0 0 468.557 4.491 50 0 JIAARN CC[C@H]1Cn2c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc3c2c(ccc3Cl)O1 ZINC000064816619 569633515 /nfs/dbraw/zinc/63/35/15/569633515.db2.gz HIHUXZBUNOJDBH-KRWDZBQOSA-N 0 0 467.953 4.152 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)NCCc3ccccc3)n(Cc3ccccc3Cl)c(=O)c21 ZINC000064817299 569634489 /nfs/dbraw/zinc/63/44/89/569634489.db2.gz IAULWIKZFONDJB-UHFFFAOYSA-N 0 0 496.036 4.074 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)Nc3cccc(OC)c3)n(Cc3ccccc3Cl)c(=O)c21 ZINC000064817300 569634513 /nfs/dbraw/zinc/63/45/13/569634513.db2.gz BRXPLIACTYZTGM-UHFFFAOYSA-N 0 0 498.008 4.362 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)Nc3ccc(Cl)cc3)n(Cc3ccccc3OC)c(=O)c21 ZINC000064817274 569634521 /nfs/dbraw/zinc/63/45/21/569634521.db2.gz XCBXYMHFCWFFCI-UHFFFAOYSA-N 0 0 498.008 4.362 50 0 JIAARN CCc1cccc(NC(=O)CSc2nc3c(C)nn(CC)c3c(=O)n2Cc2ccc(F)cc2)c1 ZINC000064817382 569634589 /nfs/dbraw/zinc/63/45/89/569634589.db2.gz FGEUIJVBIWRYFM-UHFFFAOYSA-N 0 0 479.581 4.402 50 0 JIAARN CCOc1ccccc1NC(=O)CSc1nc2c(C)nn(CC)c2c(=O)n1Cc1ccc(F)cc1 ZINC000064817379 569634627 /nfs/dbraw/zinc/63/46/27/569634627.db2.gz WWENOIQTLDZCDT-UHFFFAOYSA-N 0 0 495.580 4.238 50 0 JIAARN CCn1nc(C)c2nc(SCc3cccc(OC)c3)n(Cc3cccc(OC)c3)c(=O)c21 ZINC000064817451 569634707 /nfs/dbraw/zinc/63/47/07/569634707.db2.gz HVBIEDUJQMTZLD-UHFFFAOYSA-N 0 0 450.564 4.279 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)NCc3ccc(Cl)cc3)n(Cc3ccc(F)cc3)c(=O)c21 ZINC000064817395 569634711 /nfs/dbraw/zinc/63/47/11/569634711.db2.gz KCBZOHXPUMFSLF-UHFFFAOYSA-N 0 0 499.999 4.171 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)Nc3ccc(C)cc3)n(Cc3cccc(OC)c3)c(=O)c21 ZINC000064817420 569634724 /nfs/dbraw/zinc/63/47/24/569634724.db2.gz OVMKFRKTHTXPJM-UHFFFAOYSA-N 0 0 477.590 4.017 50 0 JIAARN CN(CCc1noc(-c2ccccc2Cl)n1)S(=O)(=O)c1ccc(Br)cc1 ZINC000064841311 569637479 /nfs/dbraw/zinc/63/74/79/569637479.db2.gz DBTAGKYTWXQMRZ-UHFFFAOYSA-N 0 0 456.749 4.016 50 0 JIAARN Cc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3nc2N2CCOCC2)cc1 ZINC000064819328 569635678 /nfs/dbraw/zinc/63/56/78/569635678.db2.gz ZTCSPHIUVUXHDZ-UHFFFAOYSA-N 0 0 488.975 4.114 50 0 JIAARN CCN(CC)c1nc2cc(C(=O)NCc3ccc(F)cc3F)ccc2c(=O)n1Cc1ccccc1 ZINC000064819616 569635917 /nfs/dbraw/zinc/63/59/17/569635917.db2.gz HNBRLZUXMVJCOT-UHFFFAOYSA-N 0 0 476.527 4.499 50 0 JIAARN CCN(CC)c1nc2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2c(=O)n1Cc1ccc(C)cc1 ZINC000064819630 569635943 /nfs/dbraw/zinc/63/59/43/569635943.db2.gz SDYFOOTUQYHBRO-UHFFFAOYSA-N 0 0 498.583 4.258 50 0 JIAARN Cc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)cc3)c2=O)cc1C ZINC000064838629 569637187 /nfs/dbraw/zinc/63/71/87/569637187.db2.gz OKQPHPAJYIRPKM-UHFFFAOYSA-N 0 0 458.967 4.207 50 0 JIAARN Cc1cc(C)n(CC(=O)Nc2ccccc2F)c(=O)c1S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000064838805 569637277 /nfs/dbraw/zinc/63/72/77/569637277.db2.gz LMDHXMUAKABXNS-UHFFFAOYSA-N 0 0 470.566 4.274 50 0 JIAARN Cc1cc(C)cc(OCc2nc(CCN(C)S(=O)(=O)c3ccccc3C(F)(F)F)no2)c1 ZINC000064841846 569637419 /nfs/dbraw/zinc/63/74/19/569637419.db2.gz SRAZJEUBEIZKCW-UHFFFAOYSA-N 0 0 469.485 4.147 50 0 JIAARN Cc1onc2c1c(-c1ccc(Cl)cc1)nn(CC(=O)N[C@@H](C)CCc1ccccc1)c2=O ZINC000064842100 569637576 /nfs/dbraw/zinc/63/75/76/569637576.db2.gz OLEMSKVBSFUFLF-HNNXBMFYSA-N 0 0 450.926 4.151 50 0 JIAARN COc1cc(NC(=O)N2CCC(CC(=O)NCCc3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000064846718 569638702 /nfs/dbraw/zinc/63/87/02/569638702.db2.gz SZDGKBXQJMHROT-UHFFFAOYSA-N 0 0 490.000 4.359 50 0 JIAARN Cc1c(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cnn1C(F)F ZINC000064848193 569638881 /nfs/dbraw/zinc/63/88/81/569638881.db2.gz JPELGAONFFSMRK-UHFFFAOYSA-N 0 0 461.538 4.100 50 0 biogenic JIAARN Cc1nc2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2n(Cc2ccccc2)c1=O ZINC000064859144 569639092 /nfs/dbraw/zinc/63/90/92/569639092.db2.gz MWBQJURQUPMUKG-UHFFFAOYSA-N 0 0 472.976 4.369 50 0 JIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000064866574 569639692 /nfs/dbraw/zinc/63/96/92/569639692.db2.gz HEYUGNSLVRYNLZ-UHFFFAOYSA-N 0 0 482.602 4.304 50 0 JIAARN COc1cc(/C=C2/S[C@@H](N3CCC(Cc4ccccc4)CC3)NC2=O)cc(OC)c1OC ZINC000034256779 569639851 /nfs/dbraw/zinc/63/98/51/569639851.db2.gz WHWIHFFIJORWIW-UQTDQPHJSA-N 0 0 454.592 4.155 50 0 JIAARN COc1cc(/C=C2/S[C@H](N3CCC(Cc4ccccc4)CC3)NC2=O)cc(OC)c1OC ZINC000034256782 569639882 /nfs/dbraw/zinc/63/98/82/569639882.db2.gz WHWIHFFIJORWIW-YHHBSCGTSA-N 0 0 454.592 4.155 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1 ZINC000064867192 569639924 /nfs/dbraw/zinc/63/99/24/569639924.db2.gz FKMFDBWCZXMEKJ-UHFFFAOYSA-N 0 0 470.547 4.246 50 0 JIAARN CCOC(=O)CC1=CC(S[C@H](C)C(=O)NCc2cccc(OC)c2)=Nc2ccccc2N1 ZINC000064869927 569640329 /nfs/dbraw/zinc/64/03/29/569640329.db2.gz BIGOXMUACSGVBG-MRXNPFEDSA-N 0 0 453.564 4.426 50 0 JIAARN COc1ccc(COc2ccc(=O)n(-c3ccc(C(=O)Nc4ccc(NC(C)=O)cc4)cc3)n2)cc1 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569674231 /nfs/dbraw/zinc/67/42/31/569674231.db2.gz JIWVPKDHJAHGHM-UHFFFAOYSA-N 0 0 483.663 4.329 50 0 JIAARN CCn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000065319864 569674311 /nfs/dbraw/zinc/67/43/11/569674311.db2.gz QKVWWRODMCLZIB-UHFFFAOYSA-N 0 0 494.042 4.174 50 0 JIAARN CC(C)n1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1cc(F)ccc1F ZINC000065319976 569674394 /nfs/dbraw/zinc/67/43/94/569674394.db2.gz MDJUKAVZJFYLDG-UHFFFAOYSA-N 0 0 465.551 4.043 50 0 JIAARN COc1ccc(CN2C(=O)c3ccccc3/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 ZINC000065522596 569675682 /nfs/dbraw/zinc/67/56/82/569675682.db2.gz AWTICGJEBKWKOF-LPYMAVHISA-N 0 0 459.498 4.444 50 0 JIAARN O=C(Cn1nc2ccccn2c1=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000065621991 569676269 /nfs/dbraw/zinc/67/62/69/569676269.db2.gz YWSDIIYFQCCBOY-UHFFFAOYSA-N 0 0 455.337 4.048 50 0 JIAARN C[C@H](C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000065591479 569676343 /nfs/dbraw/zinc/67/63/43/569676343.db2.gz YYTKUWKGNSPONO-LJQANCHMSA-N 0 0 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CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000035325289 569680658 /nfs/dbraw/zinc/68/06/58/569680658.db2.gz CFMBKLRFGYSKOY-KRWDZBQOSA-N 0 0 466.003 4.161 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2Cc2ccco2)OCO4)cc1Cl ZINC000067219488 569680682 /nfs/dbraw/zinc/68/06/82/569680682.db2.gz NCTRHXXJLWEKDH-UHFFFAOYSA-N 0 0 499.932 4.159 50 0 JIAARN O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)Nc1ccc(Cl)cc1F ZINC000067219505 569680724 /nfs/dbraw/zinc/68/07/24/569680724.db2.gz VAHWPKOTKVSARO-UHFFFAOYSA-N 0 0 487.896 4.290 50 0 JIAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCc1ccccc1Br ZINC000067239116 569681673 /nfs/dbraw/zinc/68/16/73/569681673.db2.gz AHFOQQQHUYTAGR-ZDUSSCGKSA-N 0 0 463.401 4.175 50 0 JIAARN Cc1cc2nc(SCC(=O)NCc3ccc(F)c(Cl)c3)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067238235 569681697 /nfs/dbraw/zinc/68/16/97/569681697.db2.gz OEVHUVFFFMMIDM-UHFFFAOYSA-N 0 0 450.967 4.280 50 0 JIAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(Br)c(C)c4)nc23)c(C)c1 ZINC000067255719 569682224 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469.270 4.106 50 0 JIAARN Cc1cc2nc(COc3cccc(NC(=O)c4ccc(Br)cc4)c3)cc(=O)n2o1 ZINC000035378593 569685733 /nfs/dbraw/zinc/68/57/33/569685733.db2.gz YDELINZMYDAWED-UHFFFAOYSA-N 0 0 454.280 4.190 50 0 JIAARN Cc1cccc(C)c1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CCc2ccccc2)c1=O ZINC000067291998 569685751 /nfs/dbraw/zinc/68/57/51/569685751.db2.gz UWDYWCKNHVBJDF-UHFFFAOYSA-N 0 0 467.525 4.408 50 0 JIAARN O=C(Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21)Nc1ccccc1Cl ZINC000067318144 569686972 /nfs/dbraw/zinc/68/69/72/569686972.db2.gz IJHXZKNMGYRRKK-UHFFFAOYSA-N 0 0 457.877 4.406 50 0 JIAARN Cc1c(C(=O)Nc2ccc(Br)c(C)c2)nnn1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000067323114 569687452 /nfs/dbraw/zinc/68/74/52/569687452.db2.gz XTAZCGXUPPNPQS-UHFFFAOYSA-N 0 0 480.725 4.341 50 0 JIAARN CCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](CC)O3)C1 ZINC000035396646 569687493 /nfs/dbraw/zinc/68/74/93/569687493.db2.gz GSZMASBIWFEECC-FPOVZHCZSA-N 0 0 499.633 4.015 50 0 JIAARN COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)ccc3c2=O)cc1 ZINC000067341498 569688339 /nfs/dbraw/zinc/68/83/39/569688339.db2.gz CHPRYQVOEOCQLZ-UHFFFAOYSA-N 0 0 480.402 4.423 50 0 JIAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 ZINC000067604310 569688808 /nfs/dbraw/zinc/68/88/08/569688808.db2.gz UXZOQWXRZKLBJX-UHFFFAOYSA-N 0 0 457.563 4.010 50 0 JIAARN COc1ccc(NC(=O)N2CCN(c3cc(C)nc(Nc4ccc(C)cc4)n3)CC2)c(OC)c1 ZINC000067621936 569688957 /nfs/dbraw/zinc/68/89/57/569688957.db2.gz DABNDALVGFWJRZ-UHFFFAOYSA-N 0 0 462.554 4.208 50 0 JIAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1 ZINC000035399323 569689879 /nfs/dbraw/zinc/68/98/79/569689879.db2.gz IPBDLXDEUOEPOL-UHFFFAOYSA-N 0 0 468.554 4.070 50 0 biogenic JIAARN COc1ccc(Cn2cnc3c4ccccc4n(CC(=O)Nc4cccc(F)c4)c3c2=O)cc1 ZINC000035399696 569690018 /nfs/dbraw/zinc/69/00/18/569690018.db2.gz VAPHFAXNKOUKGO-UHFFFAOYSA-N 0 0 456.477 4.186 50 0 JIAARN COc1ccc(Cn2cnc3c4ccccc4n(CC(=O)NCCC4=CCCCC4)c3c2=O)cc1 ZINC000035399702 569690026 /nfs/dbraw/zinc/69/00/26/569690026.db2.gz LULMBOMEEKFYIL-UHFFFAOYSA-N 0 0 470.573 4.415 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)cc1 ZINC000035399776 569690185 /nfs/dbraw/zinc/69/01/85/569690185.db2.gz CSSPQLCURJIUAZ-UHFFFAOYSA-N 0 0 498.514 4.354 50 0 JIAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(CC(=O)Nc4ccc(F)cc4)c3c2=O)cc1 ZINC000035400020 569690428 /nfs/dbraw/zinc/69/04/28/569690428.db2.gz LBDPSFWKAYCWMP-UHFFFAOYSA-N 0 0 470.504 4.494 50 0 JIAARN O=C(COc1cccc(C(F)(F)F)c1)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000068740002 569691970 /nfs/dbraw/zinc/69/19/70/569691970.db2.gz LNERCNRETCDDLC-ZDUSSCGKSA-N 0 0 486.288 4.119 50 0 JIAARN COc1ccccc1-n1c(CN2CCN(c3ccc(C)cc3)[C@@H](C)C2)nc2ccccc2c1=O ZINC000068741477 569692091 /nfs/dbraw/zinc/69/20/91/569692091.db2.gz OFMDOZKQUWSBQX-NRFANRHFSA-N 0 0 454.574 4.413 50 0 JIAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1csc(CCC(C)C)n1 ZINC000068780105 569692264 /nfs/dbraw/zinc/69/22/64/569692264.db2.gz UXIABEHRTUSPOQ-UHFFFAOYSA-N 0 0 494.708 4.415 50 0 JIAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000068768182 569692286 /nfs/dbraw/zinc/69/22/86/569692286.db2.gz VLFPUADTZSKEQN-MRXNPFEDSA-N 0 0 471.838 4.162 50 0 JIAARN Cc1cccc(NC(=O)Cn2nc3c(Oc4cccc(C)c4C)nc4ccccc4n3c2=O)c1 ZINC000035425207 569693451 /nfs/dbraw/zinc/69/34/51/569693451.db2.gz YADOXGHKJRGHLP-UHFFFAOYSA-N 0 0 453.502 4.400 50 0 JIAARN COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(OC)cc1)CN(C)CC3 ZINC000035426988 569694081 /nfs/dbraw/zinc/69/40/81/569694081.db2.gz HFIRHPFJQFMNCT-DEOSSOPVSA-N 0 0 480.634 4.186 50 0 JIAARN Cc1ccc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cc1NC(=O)c1ccco1 ZINC000069947063 569694163 /nfs/dbraw/zinc/69/41/63/569694163.db2.gz UGDBPSUWTARZFS-UHFFFAOYSA-N 0 0 452.555 4.077 50 0 JIAARN Cc1ccc(CN2CCCn3nc(C(=O)NCCc4c[nH]c5ccc(Cl)cc45)cc3C2=O)cc1 ZINC000035429303 569694835 /nfs/dbraw/zinc/69/48/35/569694835.db2.gz FDGQUSXINJVRSD-UHFFFAOYSA-N 0 0 475.980 4.345 50 0 JIAARN COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3ccc(Br)cc3)C2)c1 ZINC000070459635 569695252 /nfs/dbraw/zinc/69/52/52/569695252.db2.gz LPUYDLXQQMWRLR-QFIPXVFZSA-N 0 0 486.391 4.461 50 0 JIAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cc(C)ccc1C)C(=O)[C@@H]1CCCCN21 ZINC000035445679 569695635 /nfs/dbraw/zinc/69/56/35/569695635.db2.gz PCXQJJQGXWGJEL-QHCPKHFHSA-N 0 0 462.594 4.130 50 0 JIAARN COc1cc(C(=O)Nc2cc(Cl)ccc2OCc2cc(=O)n3oc(C)cc3n2)cc(OC)c1OC ZINC000035448042 569696387 /nfs/dbraw/zinc/69/63/87/569696387.db2.gz DMTWULGWCRMHTN-UHFFFAOYSA-N 0 0 499.907 4.106 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CCc3ccccc3)c2=O)c(C)c1 ZINC000071326923 569696433 /nfs/dbraw/zinc/69/64/33/569696433.db2.gz OTUXIBLJBHJBQM-UHFFFAOYSA-N 0 0 467.525 4.408 50 0 JIAARN COc1cc(OC)cc(-c2nc3c4ccccc4n(CC(=O)c4c[nH]c5ccccc45)c(=O)n3n2)c1 ZINC000035449267 569696625 /nfs/dbraw/zinc/69/66/25/569696625.db2.gz PYIVYNKKQQTBRK-UHFFFAOYSA-N 0 0 479.496 4.093 50 0 JIAARN COc1ccc(C2=NC3(CCCCC3)N(CC(=O)NCc3ccccc3Br)C2=O)cc1 ZINC000071768974 569697696 /nfs/dbraw/zinc/69/76/96/569697696.db2.gz FRPNGLNFXCJIHK-UHFFFAOYSA-N 0 0 484.394 4.066 50 0 JIAARN COC(=O)c1sccc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3cccc(Cl)c3)no2)c1=O ZINC000035509576 569697971 /nfs/dbraw/zinc/69/79/71/569697971.db2.gz MXYJDTPVYUNONH-UHFFFAOYSA-N 0 0 498.948 4.322 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)S(=O)(=O)Cc2ccccc2)c1C ZINC000035510479 569698217 /nfs/dbraw/zinc/69/82/17/569698217.db2.gz UFIWMRHTALINHE-UHFFFAOYSA-N 0 0 470.591 4.349 50 0 JIAARN CCCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1 ZINC000035512031 569698487 /nfs/dbraw/zinc/69/84/87/569698487.db2.gz PCHUGKVBQOPFHQ-QGZVFWFLSA-N 0 0 488.610 4.450 50 0 JIAARN O=C(Nc1ccc(Br)cc1F)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000035512643 569698579 /nfs/dbraw/zinc/69/85/79/569698579.db2.gz HSYYWBUOKSJWNI-UHFFFAOYSA-N 0 0 456.319 4.399 50 0 JIAARN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccc(OCC2CC2)nc1)c1ccc(Cl)cc1 ZINC000071850281 569699043 /nfs/dbraw/zinc/69/90/43/569699043.db2.gz SJDDLQHGZOZABD-HSZRJFAPSA-N 0 0 463.965 4.181 50 0 JIAARN CCOc1cccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2OC)c1 ZINC000035527376 569699224 /nfs/dbraw/zinc/69/92/24/569699224.db2.gz HBNVTFMSZPPADN-MUUNZHRXSA-N 0 0 458.558 4.368 50 0 JIAARN CC(C)(C)c1ccc(O)c(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cn2)c1 ZINC000035528061 569699497 /nfs/dbraw/zinc/69/94/97/569699497.db2.gz SMCBYAGSBINKNW-UHFFFAOYSA-N 0 0 482.606 4.302 50 0 JIAARN Cc1cccc(C)c1NC(=O)CSc1nnc2n1c1ccsc1c(=O)n2CCC(C)C ZINC000035531729 569700515 /nfs/dbraw/zinc/70/05/15/569700515.db2.gz BQUDVYQXBABMPP-UHFFFAOYSA-N 0 0 455.609 4.499 50 0 JIAARN CCCCn1c2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2c2ccsc2c1=O ZINC000035531955 569700577 /nfs/dbraw/zinc/70/05/77/569700577.db2.gz AERJDTBLQJQPSA-UHFFFAOYSA-N 0 0 477.999 4.299 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2ncnc3nc(N4CCc5ccccc5C4)sc32)c1 ZINC000035533818 569701256 /nfs/dbraw/zinc/70/12/56/569701256.db2.gz SSHHWFQKTDQZCB-UHFFFAOYSA-N 0 0 493.614 4.397 50 0 JIAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3ccc4c(c3)OCCO4)c2s1 ZINC000035533971 569701313 /nfs/dbraw/zinc/70/13/13/569701313.db2.gz ANVALVADRZBWBF-UHFFFAOYSA-N 0 0 459.597 4.215 50 0 JIAARN COc1ccc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1N1CCCC1=O ZINC000072274517 569701474 /nfs/dbraw/zinc/70/14/74/569701474.db2.gz UJIFORZKUKKCEB-QFIPXVFZSA-N 0 0 457.939 4.043 50 0 JIAARN CCOC(=O)c1oc2ccc(S(=O)(=O)NCc3cccn3Cc3ccccc3F)cc2c1C ZINC000035534834 569701534 /nfs/dbraw/zinc/70/15/34/569701534.db2.gz CVDZHGKUQZUFHJ-UHFFFAOYSA-N 0 0 470.522 4.385 50 0 JIAARN CCOC(=O)c1ccc(N2CCCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)nc1 ZINC000072276958 569701582 /nfs/dbraw/zinc/70/15/82/569701582.db2.gz QAFPKAKYMPFPQT-UHFFFAOYSA-N 0 0 457.530 4.235 50 0 JIAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000035535048 569701676 /nfs/dbraw/zinc/70/16/76/569701676.db2.gz FNSXKMUCGNNRHM-UHFFFAOYSA-N 0 0 461.905 4.237 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CCC(=O)NCC(=O)c1ccccc1)CC2 ZINC000072280534 569701697 /nfs/dbraw/zinc/70/16/97/569701697.db2.gz JNJQPQLJLXICEF-HHHXNRCGSA-N 0 0 492.597 4.019 50 0 JIAARN COc1ccc2c(c1)n(CC(=O)Nc1cc(Cl)ccc1C)cc(C(=O)c1ccncc1)c2=O ZINC000035535253 569701807 /nfs/dbraw/zinc/70/18/07/569701807.db2.gz LQYIGQSHTDYMDT-UHFFFAOYSA-N 0 0 461.905 4.237 50 0 JIAARN COc1ccc2c(c1)n(CC(=O)Nc1ccc(C)cc1Cl)cc(C(=O)c1ccncc1)c2=O ZINC000035535261 569701874 /nfs/dbraw/zinc/70/18/74/569701874.db2.gz KYNXREBTTGPNKA-UHFFFAOYSA-N 0 0 461.905 4.237 50 0 JIAARN C[C@H](CCC(=O)Nc1ccncc1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072325125 569702217 /nfs/dbraw/zinc/70/22/17/569702217.db2.gz FPPUCHSZOAXXQG-OLVWRROUSA-N 0 0 484.681 4.398 50 0 biogenic JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cc(C)cc(C)c4)C3)c(C)s2)no1 ZINC000035555422 569702858 /nfs/dbraw/zinc/70/28/58/569702858.db2.gz YOOYYUZAZLPCOZ-QGZVFWFLSA-N 0 0 474.608 4.071 50 0 JIAARN COC(=O)c1cnn2c1NC(C)=C(C(=O)Nc1ccccc1OC)[C@H]2c1ccc(Cl)cc1 ZINC000072332729 569703100 /nfs/dbraw/zinc/70/31/00/569703100.db2.gz QFIATLRXHMRPRD-HXUWFJFHSA-N 0 0 452.898 4.259 50 0 JIAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000035555815 569703123 /nfs/dbraw/zinc/70/31/23/569703123.db2.gz IZPWGPVADDYANW-HNNXBMFYSA-N 0 0 490.582 4.162 50 0 JIAARN COc1cc(N2CN=C3S[C@H](CC(=O)Nc4ccc(C)cc4C)C(=O)N3C2)ccc1Cl ZINC000072333619 569703333 /nfs/dbraw/zinc/70/33/33/569703333.db2.gz XFUZAKRATNLAGT-LJQANCHMSA-N 0 0 458.971 4.029 50 0 JIAARN O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1 ZINC000035558345 569703523 /nfs/dbraw/zinc/70/35/23/569703523.db2.gz PLOUHXQDNQDWLD-UHFFFAOYSA-N 0 0 472.592 4.105 50 0 JIAARN CCCc1nc(-n2cccc2)sc1C(=O)Nc1nc(C(=O)OC)c(-c2ccccc2)s1 ZINC000072401406 569703744 /nfs/dbraw/zinc/70/37/44/569703744.db2.gz CFRQQVLDWGBBBZ-UHFFFAOYSA-N 0 0 452.561 5.049 50 0 JIAARN Cc1ccc(C(O)=C2[C@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035633375 569705773 /nfs/dbraw/zinc/70/57/73/569705773.db2.gz BIRDAOLMKXRIRL-CNNODRBYSA-N 0 0 462.399 4.498 50 0 JIAARN COc1cccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2cccs2)c1 ZINC000079112388 569706879 /nfs/dbraw/zinc/70/68/79/569706879.db2.gz VRKOIPWSLBCWIP-HXUWFJFHSA-N 0 0 455.561 4.120 50 0 JIAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(NC(=O)CCc3ccccc3)cc2)NC(=S)N1C ZINC000035729541 569709057 /nfs/dbraw/zinc/70/90/57/569709057.db2.gz MTRBBRLBLALGHY-HSZRJFAPSA-N 0 0 451.592 4.345 50 0 JIAARN O=C(Nc1ccccc1Cn1cncn1)C(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000084528527 569709467 /nfs/dbraw/zinc/70/94/67/569709467.db2.gz JNZNHMXNPRHLMN-DEOSSOPVSA-N 0 0 453.546 4.145 50 0 JIAARN COc1ccc(NC(C)=O)cc1Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000084774055 569709689 /nfs/dbraw/zinc/70/96/89/569709689.db2.gz RGDUGNFWDQYMHY-UHFFFAOYSA-N 0 0 467.595 4.113 50 0 JIAARN O=C([O-])[C@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)[NH2+]COCc1ccccc1 ZINC000085210018 569709701 /nfs/dbraw/zinc/70/97/01/569709701.db2.gz QVFSFTYVOHSJPU-VWLOTQADSA-N 0 0 460.530 4.132 50 0 JIAARN CCc1nc(-c2ccccc2)nc(N2CCN(C(=O)COC)CC2)c1Cc1ccc(Cl)cc1 ZINC000035769198 569710447 /nfs/dbraw/zinc/71/04/47/569710447.db2.gz UIXAHTPGUNNUMK-UHFFFAOYSA-N 0 0 464.997 4.245 50 0 JIAARN COCCN(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)c1ccccc1C ZINC000035770029 569710588 /nfs/dbraw/zinc/71/05/88/569710588.db2.gz PGLULQFDYDDSEP-UHFFFAOYSA-N 0 0 457.523 4.191 50 0 JIAARN Cc1ccc(-c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)cc1NC(=O)c1ccco1 ZINC000085641874 569711562 /nfs/dbraw/zinc/71/15/62/569711562.db2.gz OAOBJVQRAXLEDL-UHFFFAOYSA-N 0 0 478.530 4.342 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000085642657 569711820 /nfs/dbraw/zinc/71/18/20/569711820.db2.gz FHWODXGEDCGHSU-UHFFFAOYSA-N 0 0 487.025 4.490 50 0 JIAARN CCOCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)NC(C)(C)C ZINC000035809425 569712320 /nfs/dbraw/zinc/71/23/20/569712320.db2.gz IXRJJDCJZNDGCB-UHFFFAOYSA-N 0 0 457.615 4.396 50 0 JIAARN COc1ccc(NC(=O)N2CCc3c(sc4nc(-c5ccc(F)cc5)nn43)C2)cc1OC ZINC000085651436 569713147 /nfs/dbraw/zinc/71/31/47/569713147.db2.gz RIMRQYQRCMBXLQ-UHFFFAOYSA-N 0 0 453.499 4.204 50 0 JIAARN CCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1C ZINC000085652021 569713694 /nfs/dbraw/zinc/71/36/94/569713694.db2.gz NZWHCTJJKRPMDZ-UHFFFAOYSA-N 0 0 478.574 4.336 50 0 JIAARN CCc1cccc(NS(=O)(=O)c2cc(-c3ccc(=O)n(-c4c(C)noc4C)n3)ccc2C)c1 ZINC000085652047 569713892 /nfs/dbraw/zinc/71/38/92/569713892.db2.gz XRHMZXWPVKRFCY-UHFFFAOYSA-N 0 0 464.547 4.176 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc3ccccc3c2)c1C ZINC000085712721 569715311 /nfs/dbraw/zinc/71/53/11/569715311.db2.gz QGCQAAJGZJCORD-OAQYLSRUSA-N 0 0 470.591 4.331 50 0 JIAARN COC(=O)C[C@H](c1ccc(OC)cc1OC)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000085876388 569715898 /nfs/dbraw/zinc/71/58/98/569715898.db2.gz JCJKWCCJABCJOD-LJQANCHMSA-N 0 0 456.516 4.350 50 0 biogenic JIAARN CCCCNC(=O)Cn1cnc2sc(-c3nc(-c4cccc(Cl)c4)no3)c(C)c2c1=O ZINC000085942140 569716628 /nfs/dbraw/zinc/71/66/28/569716628.db2.gz YISJDKQZUBWOHM-UHFFFAOYSA-N 0 0 457.943 4.053 50 0 JIAARN CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)cc1OCC ZINC000086056941 569716908 /nfs/dbraw/zinc/71/69/08/569716908.db2.gz GJBUFQMCYZJHCG-KRWDZBQOSA-N 0 0 451.548 4.334 50 0 JIAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccc5c(c4)OCO5)CC2)n1)CC[C@@H](C)C3 ZINC000035866092 569717389 /nfs/dbraw/zinc/71/73/89/569717389.db2.gz UDTSCLYVXBBJQL-MRXNPFEDSA-N 0 0 478.618 4.460 50 0 JIAARN COc1ccc(-c2nc3nc(C)c(CC(=O)Nc4cc(Cl)ccc4OC)c(C)n3n2)cc1 ZINC000086069718 569717600 /nfs/dbraw/zinc/71/76/00/569717600.db2.gz DHPHCFMZPMQNBR-UHFFFAOYSA-N 0 0 451.914 4.260 50 0 JIAARN CC(=O)c1cc2c(cc1NC(=O)c1cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c1)OCO2 ZINC000089291975 569718096 /nfs/dbraw/zinc/71/80/96/569718096.db2.gz QTKCDKZUZVXFIT-UHFFFAOYSA-N 0 0 486.933 4.349 50 0 JIAARN COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)C1=O ZINC000089677821 569719510 /nfs/dbraw/zinc/71/95/10/569719510.db2.gz WGBLPWIHLQAWPV-HHHXNRCGSA-N 0 0 473.529 4.288 50 0 JIAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000089851158 569720108 /nfs/dbraw/zinc/72/01/08/569720108.db2.gz GMYHRNXXPSFVOP-UHFFFAOYSA-N 0 0 485.403 4.263 50 0 JIAARN COc1ccc(CCN2Cc3cc(NC(=O)c4cccc(OC)c4)ccc3O[C@H](C)C2=O)cc1 ZINC000035884677 569720150 /nfs/dbraw/zinc/72/01/50/569720150.db2.gz HCVMHCLZKWBVTA-GOSISDBHSA-N 0 0 460.530 4.308 50 0 JIAARN C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O)c1cc2ccccc2o1 ZINC000089904643 569720296 /nfs/dbraw/zinc/72/02/96/569720296.db2.gz SRJPZEJWUYDTTG-VERVWZFWSA-N 0 0 460.317 4.384 50 0 JIAARN C[C@@H]1Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035886997 569720670 /nfs/dbraw/zinc/72/06/70/569720670.db2.gz YMEMGXGUAMUMHM-HNNXBMFYSA-N 0 0 458.486 4.075 50 0 JIAARN Cc1cc(C)n(-c2ccc(N3CCC(C(=O)NCc4sc(-c5cccs5)nc4C)CC3)nn2)n1 ZINC000090592796 569720960 /nfs/dbraw/zinc/72/09/60/569720960.db2.gz OUBOTPWTYPUPOP-UHFFFAOYSA-N 0 0 493.662 4.305 50 0 JIAARN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000095346132 569722167 /nfs/dbraw/zinc/72/21/67/569722167.db2.gz JBORHJLCHNCQBK-ZLNRFVROSA-N 0 0 464.905 4.495 50 0 JIAARN O=C1C[C@@H](N(Cc2ccc3c(c2)OCO3)C(=S)Nc2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000095364954 569722995 /nfs/dbraw/zinc/72/29/95/569722995.db2.gz UDMPLYNREAZUSI-HXUWFJFHSA-N 0 0 477.517 4.086 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)Cc3cccs3)CC2)n1 ZINC000035908567 569724179 /nfs/dbraw/zinc/72/41/79/569724179.db2.gz BTFYGJNXUMXTNB-UHFFFAOYSA-N 0 0 460.607 4.029 50 0 JIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(Cc2ccc(F)cc2)C(=O)[C@H](C)O3)c(OC)c1 ZINC000035909082 569724419 /nfs/dbraw/zinc/72/44/19/569724419.db2.gz BUMJEUAKVAGEPU-INIZCTEOSA-N 0 0 464.493 4.405 50 0 JIAARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000095479435 569724596 /nfs/dbraw/zinc/72/45/96/569724596.db2.gz XQAJDNZPJDELPV-STRYNQHUSA-N 0 0 495.623 4.463 50 0 JIAARN COCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000095536233 569725600 /nfs/dbraw/zinc/72/56/00/569725600.db2.gz SQGHIENRVCVZKF-UHFFFAOYSA-N 0 0 490.995 4.276 50 0 JIAARN COc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(Cc3cccc(Cl)c3)c4=O)n2)cc1OC ZINC000095536468 569725777 /nfs/dbraw/zinc/72/57/77/569725777.db2.gz CZFZKYODGMRFIO-UHFFFAOYSA-N 0 0 490.903 4.126 50 0 JIAARN CC(C)c1ccc(-c2cc3c4nn(CC(=O)Nc5ccccc5Cl)c(=O)n4ccn3n2)cc1 ZINC000095536267 569725800 /nfs/dbraw/zinc/72/58/00/569725800.db2.gz DQPUFOUSOYVIRN-UHFFFAOYSA-N 0 0 460.925 4.226 50 0 JIAARN CCCCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccccc4)n3)c(=O)n12 ZINC000035911570 569726739 /nfs/dbraw/zinc/72/67/39/569726739.db2.gz CARULIWOJVQEFP-UHFFFAOYSA-N 0 0 463.607 4.465 50 0 JIAARN Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NC3CC3)cc2)n1 ZINC000095545006 569726904 /nfs/dbraw/zinc/72/69/04/569726904.db2.gz OSZMRYYNIHZBFC-UHFFFAOYSA-N 0 0 477.609 4.435 50 0 JIAARN O=C(c1ccccc1CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)N1CCOCC1 ZINC000095546806 569727195 /nfs/dbraw/zinc/72/71/95/569727195.db2.gz YFDKSXPZBHHADC-UHFFFAOYSA-N 0 0 475.549 4.233 50 0 JIAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000035912736 569727757 /nfs/dbraw/zinc/72/77/57/569727757.db2.gz IJMSOLXKYZVFKY-UHFFFAOYSA-N 0 0 468.605 4.358 50 0 JIAARN COc1cccc(C(=O)COc2cccn3c(=O)c(-c4cc(C)n(-c5ccccc5)n4)c(C)nc23)c1 ZINC000035924574 569728041 /nfs/dbraw/zinc/72/80/41/569728041.db2.gz LNQSWSPHKWMMMN-UHFFFAOYSA-N 0 0 480.524 4.434 50 0 JIAARN Cc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(C(C)C)cc5)nn4ccn3c2=O)cc1C ZINC000095609176 569728090 /nfs/dbraw/zinc/72/80/90/569728090.db2.gz VIWXVAJHJIUSST-UHFFFAOYSA-N 0 0 454.534 4.190 50 0 JIAARN CC(C)c1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)NC4CCCCC4)nc23)cc1 ZINC000095613686 569728105 /nfs/dbraw/zinc/72/81/05/569728105.db2.gz DZBZJTPZPHRWGL-UHFFFAOYSA-N 0 0 459.550 4.409 50 0 JIAARN CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000035925444 569728729 /nfs/dbraw/zinc/72/87/29/569728729.db2.gz WGYLVEVFBVYUHB-UHFFFAOYSA-N 0 0 458.541 4.116 50 0 JIAARN CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000035925462 569728840 /nfs/dbraw/zinc/72/88/40/569728840.db2.gz OLZZVTUMASFCRL-UHFFFAOYSA-N 0 0 468.605 4.295 50 0 JIAARN CCc1nn(-c2ccc(Cl)c(Cl)c2)c2sc(C(=O)NCCNC(=O)C3CC3)cc12 ZINC000095926967 569730476 /nfs/dbraw/zinc/73/04/76/569730476.db2.gz VNDPAEXGYOMUBT-UHFFFAOYSA-N 0 0 451.379 4.212 50 0 JIAARN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCCN(C(=O)C4CC4)CC3)n2)cc1 ZINC000035927793 569730614 /nfs/dbraw/zinc/73/06/14/569730614.db2.gz YRKTUZHUOPUYGJ-UHFFFAOYSA-N 0 0 466.589 4.163 50 0 JIAARN C[C@H](NC(=O)[C@H](C)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1)c1ccc(F)cc1 ZINC000095947058 569731039 /nfs/dbraw/zinc/73/10/39/569731039.db2.gz ZADAPHYQISXYIH-ROUUACIJSA-N 0 0 470.589 4.472 50 0 JIAARN CCOC(=O)C1CCN(c2nc3nn(Cc4ccccc4)c(N)c3c(-c3ccc(F)cc3)n2)CC1 ZINC000035929874 569731398 /nfs/dbraw/zinc/73/13/98/569731398.db2.gz HWSKOMNNJOLWBM-UHFFFAOYSA-N 0 0 474.540 4.042 50 0 JIAARN CCCN(Cc1cc(NC(=O)NC(C)C)ccc1N(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000035944605 569732103 /nfs/dbraw/zinc/73/21/03/569732103.db2.gz SAZQKSVWTWIDRM-UHFFFAOYSA-N 0 0 450.580 4.023 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(OC)cc1)C(=O)c1ccco1 ZINC000035945794 569732961 /nfs/dbraw/zinc/73/29/61/569732961.db2.gz VPRKBXMAGHRQGT-QHCPKHFHSA-N 0 0 495.963 4.408 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1F)C(=O)CC(C)(C)C ZINC000035946744 569733969 /nfs/dbraw/zinc/73/39/69/569733969.db2.gz YXLTWNNBYVVQQH-FQEVSTJZSA-N 0 0 459.587 4.476 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(C)cc1)C(=O)NC(C)(C)C ZINC000035947184 569734169 /nfs/dbraw/zinc/73/41/69/569734169.db2.gz LKYVRRLVPZOUER-HXUWFJFHSA-N 0 0 456.612 4.191 50 0 JIAARN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@H](c1cc3cccc4c3n(c1=O)CC4)CC(=O)O2 ZINC000096115467 569734457 /nfs/dbraw/zinc/73/44/57/569734457.db2.gz ZTXLVGRMLQCUFR-SFHVURJKSA-N 0 0 493.471 4.183 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1OC)C(=O)c1ccco1 ZINC000035947511 569734519 /nfs/dbraw/zinc/73/45/19/569734519.db2.gz WLKGJLTZUFSLHA-JOCHJYFZSA-N 0 0 495.963 4.408 50 0 JIAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1OC ZINC000035947571 569734671 /nfs/dbraw/zinc/73/46/71/569734671.db2.gz VEEZXUWNCKZEHD-JOCHJYFZSA-N 0 0 487.000 4.094 50 0 JIAARN COC(=O)COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000096115989 569735023 /nfs/dbraw/zinc/73/50/23/569735023.db2.gz LOXABZPRNVPMCG-QGZVFWFLSA-N 0 0 472.449 4.158 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1)C(=O)c1cccc(F)c1 ZINC000035948357 569735372 /nfs/dbraw/zinc/73/53/72/569735372.db2.gz LFQCBMMPYFXDRT-QFIPXVFZSA-N 0 0 483.540 4.493 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)C(=O)c1cccc(F)c1 ZINC000035948496 569735391 /nfs/dbraw/zinc/73/53/91/569735391.db2.gz UDXWHMJCJFNJAW-LJQANCHMSA-N 0 0 471.579 4.415 50 0 JIAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc(OCc3cccnc3)c2)CCO1 ZINC000096118381 569736135 /nfs/dbraw/zinc/73/61/35/569736135.db2.gz XWLBVPUCOICEHP-PGRDOPGGSA-N 0 0 480.590 4.468 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccc(F)c3)[C@H](c3ccccc3F)C2)c(OC)c1 ZINC000035961014 569736781 /nfs/dbraw/zinc/73/67/81/569736781.db2.gz FXRDXMFSONZCJF-DEOSSOPVSA-N 0 0 493.510 4.432 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1)C(=O)c1cccs1 ZINC000035961568 569737093 /nfs/dbraw/zinc/73/70/93/569737093.db2.gz GYAAFHGIMHFXRF-IBGZPJMESA-N 0 0 471.579 4.415 50 0 JIAARN COc1ccc([C@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)cc1 ZINC000035961982 569737327 /nfs/dbraw/zinc/73/73/27/569737327.db2.gz FRRHBVTZZKCZAY-HSZRJFAPSA-N 0 0 451.567 4.276 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1F)C(=O)c1cccs1 ZINC000035962000 569737347 /nfs/dbraw/zinc/73/73/47/569737347.db2.gz VPULXPNTVXPQPJ-HSZRJFAPSA-N 0 0 495.576 4.362 50 0 JIAARN 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O=C(NCCNC(=O)c1ccc(F)cc1)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000035989081 569743786 /nfs/dbraw/zinc/74/37/86/569743786.db2.gz ZZXCZCCWUIKXET-UHFFFAOYSA-N 0 0 476.455 4.405 50 0 JIAARN COc1ccc(-c2cc(C(=O)N(CC(=O)NCc3ccccc3)Cc3ccccc3)no2)cc1 ZINC000035989601 569743923 /nfs/dbraw/zinc/74/39/23/569743923.db2.gz VGDYHRZXZOGJOB-UHFFFAOYSA-N 0 0 455.514 4.309 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)CN(CCOC)C(=O)c2ccc(C(F)(F)F)cc2)c(C)n1CC ZINC000035992639 569745043 /nfs/dbraw/zinc/74/50/43/569745043.db2.gz GWUKKDFNXHNNCE-UHFFFAOYSA-N 0 0 482.499 4.292 50 0 JIAARN Cc1c(Cl)cccc1N1CCCn2c3c(nc21)n(C)c(=O)n(C/C=C\c1ccccc1)c3=O ZINC000097568691 569745509 /nfs/dbraw/zinc/74/55/09/569745509.db2.gz VSPFBKHJSGLDCJ-XFFZJAGNSA-N 0 0 461.953 4.114 50 0 JIAARN Cc1cc(C)cc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(C/C=C\c2ccccc2)c4=O)c1 ZINC000097568055 569745530 /nfs/dbraw/zinc/74/55/30/569745530.db2.gz ARLXGZLQWSHXOQ-NHHWLVAYSA-N 0 0 455.562 4.015 50 0 JIAARN 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ZINC000169758765 569872070 /nfs/dbraw/zinc/87/20/70/569872070.db2.gz HOTVRVFCQDSOHT-VWLOTQADSA-N 0 0 488.588 4.271 50 0 JIAARN O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 ZINC000169758840 569872173 /nfs/dbraw/zinc/87/21/73/569872173.db2.gz OYCWLGCPVLEDLD-QFIPXVFZSA-N 0 0 482.943 4.438 50 0 JIAARN O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 ZINC000169758839 569872188 /nfs/dbraw/zinc/87/21/88/569872188.db2.gz OYCWLGCPVLEDLD-JOCHJYFZSA-N 0 0 482.943 4.438 50 0 JIAARN Cc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)N[C@@H](C)c5ccccc5)CC4)c3CO2)cc1 ZINC000169758934 569872215 /nfs/dbraw/zinc/87/22/15/569872215.db2.gz UZSQCGJVBLVZQF-NBGIEHNGSA-N 0 0 472.589 4.193 50 0 JIAARN COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4cccc(Br)c4)C3)n[nH]2)cc1 ZINC000169776601 569872519 /nfs/dbraw/zinc/87/25/19/569872519.db2.gz WKFLNCYEWRCHCU-GOSISDBHSA-N 0 0 455.356 4.247 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCc2ccccc2)cc1OC ZINC000206593983 569874725 /nfs/dbraw/zinc/87/47/25/569874725.db2.gz MKGXXIMGKMMSBU-UHFFFAOYSA-N 0 0 481.599 4.449 50 0 JIAARN COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)NCCc3ccc(F)cc3)c2c1 ZINC000215697585 569877405 /nfs/dbraw/zinc/87/74/05/569877405.db2.gz XDIOOGSZSISSCM-MYYYXRDXSA-N 0 0 457.505 4.445 50 0 JIAARN COC(=O)C[C@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O)c1ccc(OC)c(OC)c1 ZINC000217815665 569881690 /nfs/dbraw/zinc/88/16/90/569881690.db2.gz JNYXCZNZLJWEGR-IBGZPJMESA-N 0 0 480.561 4.110 50 0 biogenic JIAARN CC(C)[C@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)c1nc2ccccc2[nH]1 ZINC000218468436 569883399 /nfs/dbraw/zinc/88/33/99/569883399.db2.gz KSFPVYPKXUIIFG-FQEVSTJZSA-N 0 0 460.987 4.273 50 0 JIAARN COc1cc(OC)cc([C@@H]2CC(c3ccccc3OC)=NN2S(=O)(=O)c2ccccc2)c1 ZINC000225499129 570000137 /nfs/dbraw/zinc/00/01/37/570000137.db2.gz OFTYGZLGASGVAD-QHCPKHFHSA-N 0 0 452.532 4.252 50 0 JIAARN CN(C)c1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccccc2)c1 ZINC000225516015 570001688 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/nfs/dbraw/zinc/04/71/48/570047148.db2.gz BKHDLVDPPNPVOY-QUEWECFLSA-N 0 0 466.609 4.176 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000238882034 570047150 /nfs/dbraw/zinc/04/71/50/570047150.db2.gz BWFLKAYZLZOWIC-WXFUMESZSA-N 0 0 474.488 4.362 50 0 JIAARN O=c1[nH]c2c(s1)[C@H](c1cccs1)[C@@H]1[C@H](S2)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000238882260 570047161 /nfs/dbraw/zinc/04/71/61/570047161.db2.gz CXWXJQNYQRSNIU-QUEWECFLSA-N 0 0 484.599 4.315 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000238899985 570047451 /nfs/dbraw/zinc/04/74/51/570047451.db2.gz HNJRRLPWIAKGJM-NJDAHSKKSA-N 0 0 466.877 4.161 50 0 JIAARN COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000238901747 570047737 /nfs/dbraw/zinc/04/77/37/570047737.db2.gz MKVKUCLVLAUIQG-YPAWHYETSA-N 0 0 480.879 4.317 50 0 JIAARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Br)cc4)c3)C(=O)[C@H]21 ZINC000239259327 570049817 /nfs/dbraw/zinc/04/98/17/570049817.db2.gz ZAKIKYBNFKWDDQ-RFVSGWPVSA-N 0 0 482.330 4.190 50 0 JIAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1I ZINC000239308805 570050520 /nfs/dbraw/zinc/05/05/20/570050520.db2.gz GZHXOGAEXSANMA-NJDAHSKKSA-N 0 0 496.304 4.342 50 0 JIAARN COc1ccc(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000239308795 570050536 /nfs/dbraw/zinc/05/05/36/570050536.db2.gz GZCHQBUGYHLBKE-CXSMSNRLSA-N 0 0 452.510 4.079 50 0 JIAARN Cc1ccccc1N1Oc2c(O)n(-c3ccc(Br)cc3)c(O)c2[C@H]1c1ccco1 ZINC000239432808 570052134 /nfs/dbraw/zinc/05/21/34/570052134.db2.gz WNFAMPZKOSCDDN-ZCNNSNEGSA-N 0 0 453.292 4.402 50 0 JIAARN Cc1ccccc1S(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cccc(F)c1 ZINC000241588322 570053318 /nfs/dbraw/zinc/05/33/18/570053318.db2.gz PBXYQCIDSGYNJQ-JOCHJYFZSA-N 0 0 487.578 4.046 50 0 JIAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245228331 570055431 /nfs/dbraw/zinc/05/54/31/570055431.db2.gz QPIAALBRLDDQQW-OHHBCXFOSA-N 0 0 489.465 4.329 50 0 JIAARN C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000245228377 570055616 /nfs/dbraw/zinc/05/56/16/570055616.db2.gz TYELANYQHCWJKM-DVSDUFGPSA-N 0 0 454.567 4.102 50 0 JIAARN CCCCN1C(=O)[C@H]2[C@@H]3C=Cc4cc(Br)ccc4N3[C@@H](C(=O)c3ccccc3)[C@H]2C1=O ZINC000245254593 570059745 /nfs/dbraw/zinc/05/97/45/570059745.db2.gz APKKJKFFSDBRPG-MYGLTJDJSA-N 0 0 479.374 4.317 50 0 JIAARN C[C@@H](NC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCC3)c1ccccc1 ZINC000245265725 570061004 /nfs/dbraw/zinc/06/10/04/570061004.db2.gz HKORBRVHXFTDSM-SOLBZPMBSA-N 0 0 483.659 4.484 50 0 JIAARN Cc1ccc(C(=O)N2N[C@H](c3ccc(F)cc3)[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]32)cc1 ZINC000245296197 570062745 /nfs/dbraw/zinc/06/27/45/570062745.db2.gz LCRVEBXSEJXNAJ-VXNXHJTFSA-N 0 0 457.505 4.011 50 0 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JIAARN CCN(C)C(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247973573 570071844 /nfs/dbraw/zinc/07/18/44/570071844.db2.gz IBAZYFLEXZDRDQ-UHFFFAOYSA-N 0 0 455.400 4.478 50 0 JIAARN CC(C)n1c2ccccc2nc1CN1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000247994765 570072430 /nfs/dbraw/zinc/07/24/30/570072430.db2.gz LXMGOCZKZPJYCC-UHFFFAOYSA-N 0 0 463.601 4.317 50 0 JIAARN Cc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@H]5[C@@H]4Sc4[nH]c(=O)sc4[C@@H]5c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000248116429 570074317 /nfs/dbraw/zinc/07/43/17/570074317.db2.gz PPUFKTPRGYIQNU-CJAFCWQJSA-N 0 0 490.606 4.128 50 0 JIAARN COc1ccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]23)c(OC)c1 ZINC000248179559 570075989 /nfs/dbraw/zinc/07/59/89/570075989.db2.gz CNWBHVZCBOHMBJ-SUCSCVDJSA-N 0 0 468.509 4.032 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccccc1OC ZINC000248243403 570076622 /nfs/dbraw/zinc/07/66/22/570076622.db2.gz KFSXJKIUVUBXHR-FZBZCGEPSA-N 0 0 466.578 4.179 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cc(OC)ccc1OC ZINC000248264657 570077004 /nfs/dbraw/zinc/07/70/04/570077004.db2.gz CYJDOTYHYSUICT-DUFKRMHYSA-N 0 0 496.604 4.187 50 0 JIAARN CCn1c(CN2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)nc2ccccc21 ZINC000249689660 570078508 /nfs/dbraw/zinc/07/85/08/570078508.db2.gz JMFYLJGQAUXHGJ-UHFFFAOYSA-N 0 0 459.638 4.234 50 0 JIAARN COc1cccc(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000252427645 570080225 /nfs/dbraw/zinc/08/02/25/570080225.db2.gz AVWAARJGOXGXKN-CXSMSNRLSA-N 0 0 452.510 4.079 50 0 JIAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000252517922 570082929 /nfs/dbraw/zinc/08/29/29/570082929.db2.gz VESLCLUEDPOBHS-QFMFQJCFSA-N 0 0 479.621 4.380 50 0 JIAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000252615681 570086531 /nfs/dbraw/zinc/08/65/31/570086531.db2.gz JUUMWLVNGDSKAG-ZUFVTIEASA-N 0 0 485.392 4.380 50 0 JIAARN 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CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(Cl)c(C)c1)C(=O)NCc1ccco1 ZINC000002927133 194172092 /nfs/dbraw/zinc/17/20/92/194172092.db2.gz QWRPSCKEFVZCTF-KRWDZBQOSA-N 0 0 470.986 4.278 50 0 JIAARN COc1ccc([C@@H](CC(=O)NCCC2=CCCCC2)NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002938734 194174510 /nfs/dbraw/zinc/17/45/10/194174510.db2.gz RXKIXYUXZUVZIH-HSZRJFAPSA-N 0 0 460.571 4.251 50 0 JIAARN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1 ZINC000002982207 194194242 /nfs/dbraw/zinc/19/42/42/194194242.db2.gz FGQLSUDKTDQAQO-UHFFFAOYSA-N 0 0 463.328 4.422 50 0 JIAARN CCOC(=O)N1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)CC1 ZINC000003011948 194205362 /nfs/dbraw/zinc/20/53/62/194205362.db2.gz VWFADKGVMOTGAX-RDJZCZTQSA-N 0 0 485.894 4.111 50 0 JIAARN CC(=O)Nc1cc(C(=O)NCc2ccc(C)cc2)ccc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000003007818 194202623 /nfs/dbraw/zinc/20/26/23/194202623.db2.gz HONOSJAKZVLEHA-UHFFFAOYSA-N 0 0 456.951 4.370 50 0 JIAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4ccccc4)cc3N2)cc1OC 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JIAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCc1cccc(Cl)c1 ZINC000012790527 195131439 /nfs/dbraw/zinc/13/14/39/195131439.db2.gz HQSPAVHGONDLMW-UHFFFAOYSA-N 0 0 456.951 4.030 50 0 JIAARN COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)OCC(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000012791703 195132504 /nfs/dbraw/zinc/13/25/04/195132504.db2.gz IZUHAMZLDGDXKB-QMEWPPBRSA-N 0 0 472.541 4.424 50 0 JIAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCC(c1ccccc1)c1ccccc1 ZINC000012795851 195136074 /nfs/dbraw/zinc/13/60/74/195136074.db2.gz IVHSUFUBZAWQJR-DTQAZKPQSA-N 0 0 490.625 4.059 50 0 JIAARN Cc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000012796362 195136166 /nfs/dbraw/zinc/13/61/66/195136166.db2.gz BXGSSDHASVCZQI-XMMPIXPASA-N 0 0 482.627 4.488 50 0 JIAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c(C)n1Cc1ccco1 ZINC000012797237 195136823 /nfs/dbraw/zinc/13/68/23/195136823.db2.gz FSNOKGMGRJUSOK-UHFFFAOYSA-N 0 0 496.416 4.200 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC[C@@H]2c2cccn2C)Cc2ccco2)cc1 ZINC000012797571 195136883 /nfs/dbraw/zinc/13/68/83/195136883.db2.gz TVWXFRYSZQQHBH-XMMPIXPASA-N 0 0 469.607 4.261 50 0 JIAARN CN(CC(=O)Nc1ccccc1Br)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012797539 195137020 /nfs/dbraw/zinc/13/70/20/195137020.db2.gz XAHPVPKRMKHLBG-UHFFFAOYSA-N 0 0 499.331 4.176 50 0 JIAARN COc1ccc(CCN(C)C(=O)CSc2nc(C(F)(F)F)nc3ccccc32)cc1OC ZINC000012797901 195137416 /nfs/dbraw/zinc/13/74/16/195137416.db2.gz GKKDMDAAKCSEPO-UHFFFAOYSA-N 0 0 465.497 4.459 50 0 JIAARN CCCN(Cc1ccc(C)cc1)C(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1 ZINC000012798961 195138320 /nfs/dbraw/zinc/13/83/20/195138320.db2.gz RWINPHDRUKWTRO-UHFFFAOYSA-N 0 0 479.650 4.002 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1cc3c(cc1C(C)=O)OCO3)CC2 ZINC000012800473 195138754 /nfs/dbraw/zinc/13/87/54/195138754.db2.gz ATUHASHEBFKDOI-AREMUKBSSA-N 0 0 494.569 4.283 50 0 JIAARN O=C(c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000012800327 195138764 /nfs/dbraw/zinc/13/87/64/195138764.db2.gz YCRXPTLLLGVDTD-HSZRJFAPSA-N 0 0 496.654 4.317 50 0 JIAARN O=C(c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000012800316 195138855 /nfs/dbraw/zinc/13/88/55/195138855.db2.gz YCRXPTLLLGVDTD-QHCPKHFHSA-N 0 0 496.654 4.317 50 0 JIAARN O=C(NCc1ccccc1Cl)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012802952 195140296 /nfs/dbraw/zinc/14/02/96/195140296.db2.gz UEVSEWYIAALZMV-UHFFFAOYSA-N 0 0 452.363 4.405 50 0 JIAARN CCN(Cc1cccc(F)c1)C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCO1 ZINC000012803052 195140301 /nfs/dbraw/zinc/14/03/01/195140301.db2.gz ABENIFTZQBKMID-QFIPXVFZSA-N 0 0 484.597 4.413 50 0 JIAARN COc1ccc(CN(C)C(=O)Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)cc1F ZINC000012807879 195142798 /nfs/dbraw/zinc/14/27/98/195142798.db2.gz PYRYOFAYRXWFJA-UHFFFAOYSA-N 0 0 451.523 4.240 50 0 JIAARN CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nnc(-c2cccs2)n1CC ZINC000012808169 195142890 /nfs/dbraw/zinc/14/28/90/195142890.db2.gz KCJZIULETISHKN-UHFFFAOYSA-N 0 0 466.610 4.316 50 0 JIAARN O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000012813067 195145577 /nfs/dbraw/zinc/14/55/77/195145577.db2.gz XZKUHEFCZDGINR-UHFFFAOYSA-N 0 0 491.949 4.074 50 0 JIAARN COc1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C2CC2)cc1 ZINC000012819440 195148669 /nfs/dbraw/zinc/14/86/69/195148669.db2.gz ZDDWFXLKWCXYIH-UHFFFAOYSA-N 0 0 480.989 4.080 50 0 JIAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1Br ZINC000012821537 195149536 /nfs/dbraw/zinc/14/95/36/195149536.db2.gz QSZZXEOELPAKFI-HJUDDPQBSA-N 0 0 477.424 4.339 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CSc2ccc(Br)cc2C)cc1 ZINC000012823030 195150055 /nfs/dbraw/zinc/15/00/55/195150055.db2.gz OVXFRWVLKLXLSK-CYBMUJFWSA-N 0 0 465.369 4.378 50 0 JIAARN Cc1nc(COc2ccccc2/C=C/C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cs1 ZINC000012824388 195150577 /nfs/dbraw/zinc/15/05/77/195150577.db2.gz ATWVYMHRXUKEPT-LCJITAHGSA-N 0 0 463.603 4.233 50 0 JIAARN COc1ccccc1[C@H](C)NC(=O)CN(c1ccccc1OC)S(=O)(=O)/C=C/c1ccccc1 ZINC000012825516 195150985 /nfs/dbraw/zinc/15/09/85/195150985.db2.gz PXQRLONQSRWXQM-PCYKQNFTSA-N 0 0 480.586 4.388 50 0 JIAARN Cc1ccccc1CN(C)C(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)c1 ZINC000012847130 195152639 /nfs/dbraw/zinc/15/26/39/195152639.db2.gz XLBXCMGBOQAXAL-QFIPXVFZSA-N 0 0 478.618 4.080 50 0 JIAARN CC(C)(C)OC(=O)N[C@@H](CSCCCC(=O)N1CCCCCC1)C(=O)N1CCCCCC1 ZINC000012855876 195157594 /nfs/dbraw/zinc/15/75/94/195157594.db2.gz SMHJCLCNVDYYAO-FQEVSTJZSA-N 0 0 469.692 4.198 50 0 JIAARN C[C@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000012865825 195161491 /nfs/dbraw/zinc/16/14/91/195161491.db2.gz MYKGGCMFNWZFCE-SJORKVTESA-N 0 0 454.954 4.102 50 0 JIAARN CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000012868240 195162498 /nfs/dbraw/zinc/16/24/98/195162498.db2.gz SJIBIURJYUXVIB-MUUNZHRXSA-N 0 0 455.558 4.114 50 0 JIAARN O=S(=O)(c1cccc(Br)c1)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000012873236 195164581 /nfs/dbraw/zinc/16/45/81/195164581.db2.gz NCIQALMOWJZKAA-UHFFFAOYSA-N 0 0 496.814 4.264 50 0 JIAARN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012874951 195165472 /nfs/dbraw/zinc/16/54/72/195165472.db2.gz USQXRJCOSWKFJB-OAQYLSRUSA-N 0 0 450.963 4.147 50 0 JIAARN O=C(/C=C/c1ccccc1)N[C@H](CCC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 ZINC000012899344 195176909 /nfs/dbraw/zinc/17/69/09/195176909.db2.gz CQPPQZMZDDCOON-QQDPUAARSA-N 0 0 456.542 4.025 50 0 JIAARN O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012886480 195170786 /nfs/dbraw/zinc/17/07/86/195170786.db2.gz PRMNFQJHISVELF-OAQYLSRUSA-N 0 0 487.339 4.378 50 0 JIAARN CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000012887852 195171117 /nfs/dbraw/zinc/17/11/17/195171117.db2.gz QRKHJFAPDSIYQQ-GNKBHMEESA-N 0 0 486.616 4.085 50 0 biogenic JIAARN COc1ccc(NC(=O)COc2cc3c(c4oc(=O)cc(C)c24)CCC(C)(C)O3)cc1OC ZINC000012887807 195171123 /nfs/dbraw/zinc/17/11/23/195171123.db2.gz JJSGXGIRILITAB-UHFFFAOYSA-N 0 0 453.491 4.240 50 0 biogenic JIAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCC1 ZINC000012887734 195171225 /nfs/dbraw/zinc/17/12/25/195171225.db2.gz KAZXLFVXZATPTP-NXDAVNMYSA-N 0 0 498.627 4.228 50 0 biogenic JIAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4cccc(NC(C)=O)c4)c(C)c13)CCC(C)(C)O2 ZINC000012900009 195177115 /nfs/dbraw/zinc/17/71/15/195177115.db2.gz OQXOOQNPLTYGCC-UHFFFAOYSA-N 0 0 464.518 4.353 50 0 biogenic JIAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@H](C(=O)N2CCCC2)C(C)C)cc1 ZINC000012892026 195173608 /nfs/dbraw/zinc/17/36/08/195173608.db2.gz ZDZQQMSKLYXNOV-UIOOFZCWSA-N 0 0 495.620 4.017 50 0 biogenic JIAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)n1Cc1ccco1 ZINC000012893843 195174345 /nfs/dbraw/zinc/17/43/45/195174345.db2.gz IBGRNWFRFATBJY-UHFFFAOYSA-N 0 0 477.586 4.046 50 0 JIAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C ZINC000012894625 195174841 /nfs/dbraw/zinc/17/48/41/195174841.db2.gz AMZQEONTXJPPGR-IBGZPJMESA-N 0 0 491.963 4.161 50 0 JIAARN COc1ccccc1CNC(=O)CCc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000012894988 195175003 /nfs/dbraw/zinc/17/50/03/195175003.db2.gz UCMQNZCNGRKXPR-UHFFFAOYSA-N 0 0 465.546 4.471 50 0 biogenic JIAARN COc1cc2c(cc1OC)CN(C(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C)CC2 ZINC000012896166 195175389 /nfs/dbraw/zinc/17/53/89/195175389.db2.gz GJDANDTTZYGFDS-UHFFFAOYSA-N 0 0 485.602 4.153 50 0 JIAARN COc1cc2c(c3oc(=O)c(CC(=O)NCCc4cccc(F)c4)c(C)c13)CCC(C)(C)O2 ZINC000012898090 195176110 /nfs/dbraw/zinc/17/61/10/195176110.db2.gz VSFDKVDJGKKBSV-UHFFFAOYSA-N 0 0 453.510 4.254 50 0 biogenic JIAARN CCOCc1c2ccccc2oc1C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000012906525 195180000 /nfs/dbraw/zinc/18/00/00/195180000.db2.gz OEPQCCQXLAMBRG-UHFFFAOYSA-N 0 0 489.494 4.385 50 0 JIAARN COc1ccc(OC)c([C@@H](C)NC(=O)CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 ZINC000012906487 195180034 /nfs/dbraw/zinc/18/00/34/195180034.db2.gz VIIHIDQCFIBCMH-MRXNPFEDSA-N 0 0 473.591 4.445 50 0 JIAARN CC[C@@H](C(=O)NC[C@@H](C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607592 195181506 /nfs/dbraw/zinc/18/15/06/195181506.db2.gz SWEFHRFCHPMYMG-YPMHNXCESA-N 0 0 451.415 4.010 50 0 JIAARN O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCN(CCc2ccccn2)CC1 ZINC000020677523 195202644 /nfs/dbraw/zinc/20/26/44/195202644.db2.gz YMYKUFNOSHGIES-HHHXNRCGSA-N 0 0 470.573 4.128 50 0 JIAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1cccc2ccccc21)NCc1ccccc1Cl ZINC000020663908 195197123 /nfs/dbraw/zinc/19/71/23/195197123.db2.gz RVJHLXDAXBANDO-UHFFFAOYSA-N 0 0 475.961 4.324 50 0 JIAARN CCc1nn2c(ncc3c2ccn(-c2ccc4c(c2)OCCO4)c3=O)c1-c1ccc(OC)cc1 ZINC000020745173 195214883 /nfs/dbraw/zinc/21/48/83/195214883.db2.gz ANRTZMRJMAEHKU-UHFFFAOYSA-N 0 0 454.486 4.043 50 0 JIAARN Cc1oc2cc3oc(=O)c(CCC(=O)N4CCN(CCc5ccccn5)CC4)c(C)c3cc2c1C ZINC000020760109 195217461 /nfs/dbraw/zinc/21/74/61/195217461.db2.gz ONULKYNYUXAHKB-UHFFFAOYSA-N 0 0 473.573 4.179 50 0 biogenic JIAARN COc1cc(OC)cc(-n2nc(C(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3c2=O)c1 ZINC000020768911 195223370 /nfs/dbraw/zinc/22/33/70/195223370.db2.gz WPQMFRKRECNMCW-UHFFFAOYSA-N 0 0 453.857 4.448 50 0 JIAARN Cc1cnc(SCCN2CCOCC2)nc1[C@@H]1CCCN(C(=O)CCC2CCCCC2)C1 ZINC000020782669 195224912 /nfs/dbraw/zinc/22/49/12/195224912.db2.gz PLPHCKZSMAIOOU-JOCHJYFZSA-N 0 0 460.688 4.276 50 0 JIAARN COc1ccc(OC)c2nc(N(C)C)c(CN(Cc3ccco3)C(=O)CCn3nc(C)cc3C)cc12 ZINC000020911753 195245990 /nfs/dbraw/zinc/24/59/90/195245990.db2.gz DQYDXKGBCWFYNF-UHFFFAOYSA-N 0 0 491.592 4.343 50 0 JIAARN COc1ccc(CNC(=O)c2cc(Cl)c(NC(=O)C3=C(C)OCCS3)cc2OC)c(OC)c1 ZINC000020920057 195247439 /nfs/dbraw/zinc/24/74/39/195247439.db2.gz WITOXNHGLCPRRI-UHFFFAOYSA-N 0 0 492.981 4.229 50 0 JIAARN COc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4nc(C(C)C)sc4n3)c2)cc1OC ZINC000020859183 195232624 /nfs/dbraw/zinc/23/26/24/195232624.db2.gz GFXDBVLRIGUDGT-UHFFFAOYSA-N 0 0 480.546 4.123 50 0 JIAARN Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000020938243 195253967 /nfs/dbraw/zinc/25/39/67/195253967.db2.gz TWLZDRUQGPXJHE-UHFFFAOYSA-N 0 0 457.303 4.282 50 0 JIAARN COc1ccc(OC)c(CNc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)c1 ZINC000020939755 195254856 /nfs/dbraw/zinc/25/48/56/195254856.db2.gz PVSJDXZHFDIBJA-UHFFFAOYSA-N 0 0 453.502 4.446 50 0 JIAARN CN1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000020942217 195255873 /nfs/dbraw/zinc/25/58/73/195255873.db2.gz KZUHOBQXGCRINO-UHFFFAOYSA-N 0 0 488.032 4.028 50 0 JIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)/C=C/c1ccc(Br)o1 ZINC000020971595 195258044 /nfs/dbraw/zinc/25/80/44/195258044.db2.gz ZMUYGLWJEPTAGZ-QPJJXVBHSA-N 0 0 492.244 4.281 50 0 JIAARN CCCSC1=NC2(CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)N=C1c1ccccc1 ZINC000020981888 195259077 /nfs/dbraw/zinc/25/90/77/195259077.db2.gz GHYHAXRDXRPUGN-UHFFFAOYSA-N 0 0 487.647 4.229 50 0 JIAARN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1cc(Cl)ccc1C ZINC000020932188 195251391 /nfs/dbraw/zinc/25/13/91/195251391.db2.gz HDTGYJMRNREHOA-HXUWFJFHSA-N 0 0 460.958 4.157 50 0 JIAARN Cc1cccc(Cn2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)nc-3c3cc(F)ccc32)c1 ZINC000020937061 195253457 /nfs/dbraw/zinc/25/34/57/195253457.db2.gz KJKYBUKYSLSLAL-UHFFFAOYSA-N 0 0 498.514 4.209 50 0 JIAARN CCOCCCNC(=O)C1CCN(C(=O)c2ccc(-n3c(C)cc4ccccc43)s2)CC1 ZINC000020986205 195260819 /nfs/dbraw/zinc/26/08/19/195260819.db2.gz SZHZEKDBHKIAOG-UHFFFAOYSA-N 0 0 453.608 4.395 50 0 JIAARN COCC(=O)Nc1cc2ncn(CCc3ccccc3)c2c(C(=O)N(C)Cc2ccsc2)c1 ZINC000020993137 195262786 /nfs/dbraw/zinc/26/27/86/195262786.db2.gz OPYSAKWMIHAIBR-UHFFFAOYSA-N 0 0 462.575 4.198 50 0 JIAARN Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(C)cc2)C1 ZINC000020995340 195263900 /nfs/dbraw/zinc/26/39/00/195263900.db2.gz IWMIECJJLLWHAW-SGWGQVFISA-N 0 0 485.631 4.240 50 0 JIAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2C)C1 ZINC000020995442 195264251 /nfs/dbraw/zinc/26/42/51/195264251.db2.gz QBWUVRNALMINKF-JARZOMNASA-N 0 0 469.563 4.403 50 0 JIAARN O=C([C@@H]1CCCN(c2nc3cccnc3s2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020996291 195264653 /nfs/dbraw/zinc/26/46/53/195264653.db2.gz FEIZLHMNFOYSGO-MRXNPFEDSA-N 0 0 475.540 4.275 50 0 JIAARN COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)c(F)c3)n3c4ccccc4nc32)cc1 ZINC000021005853 195266284 /nfs/dbraw/zinc/26/62/84/195266284.db2.gz CUPHMDYJFBRAAJ-JOCHJYFZSA-N 0 0 462.456 4.440 50 0 JIAARN O=C(NCc1cccc(Br)c1)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021049867 195272569 /nfs/dbraw/zinc/27/25/69/195272569.db2.gz ZKBGXMJBROXFDM-UHFFFAOYSA-N 0 0 487.785 4.275 50 0 JIAARN COC(=O)c1cc(-c2cccs2)nc2c1c(=O)nc(SCC(=O)Nc1cccc(C)c1C)n2C ZINC000021098377 195276000 /nfs/dbraw/zinc/27/60/00/195276000.db2.gz MEHKZVFCRQMFLM-UHFFFAOYSA-N 0 0 494.598 4.191 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1 ZINC000021099953 195276288 /nfs/dbraw/zinc/27/62/88/195276288.db2.gz BRFZWRJWUPUNKR-UHFFFAOYSA-N 0 0 472.501 4.403 50 0 JIAARN Cc1cc(NC(=O)c2cccc(Cl)c2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)n1 ZINC000021113805 195278079 /nfs/dbraw/zinc/27/80/79/195278079.db2.gz UFXKHRBXUNWGSN-UHFFFAOYSA-N 0 0 473.924 4.125 50 0 JIAARN COc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc1OC ZINC000021148637 195281946 /nfs/dbraw/zinc/28/19/46/195281946.db2.gz CBUBWPQOGHREDN-RUZDIDTESA-N 0 0 465.550 4.468 50 0 JIAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Br)cc3)cn(CC(=O)Nc3ccc(F)cc3)c2n1 ZINC000021151500 195282963 /nfs/dbraw/zinc/28/29/63/195282963.db2.gz GMKWEKWVFMMQAK-UHFFFAOYSA-N 0 0 494.320 4.476 50 0 JIAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Br)cc3)cn(CC(=O)Nc3ccccc3F)c2n1 ZINC000021151496 195283062 /nfs/dbraw/zinc/28/30/62/195283062.db2.gz JMOQSKWUTJBYDO-UHFFFAOYSA-N 0 0 494.320 4.476 50 0 JIAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCCC1)N(c1ccc(C)c(F)c1)C2=O ZINC000021161757 195287554 /nfs/dbraw/zinc/28/75/54/195287554.db2.gz VPNAVCHWHTZNEY-SANMLTNESA-N 0 0 484.572 4.156 50 0 JIAARN COCCCNC(=O)C1CCN(C(=O)c2cc3oc(C)cc3n2Cc2c(F)cccc2Cl)CC1 ZINC000021161245 195287561 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CCN(CC)c1ccc(NC(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)cc1 ZINC000057478342 195343470 /nfs/dbraw/zinc/34/34/70/195343470.db2.gz ZXVQYTWZTPXZTN-UHFFFAOYSA-N 0 0 464.639 4.440 50 0 JIAARN Cc1cccc(C)c1NC(=O)Cn1c2ccsc2c(=O)n(Cc2ccccc2Cl)c1=O ZINC000057486413 195344320 /nfs/dbraw/zinc/34/43/20/195344320.db2.gz ZLIVWDQUQIKLCU-UHFFFAOYSA-N 0 0 453.951 4.182 50 0 JIAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)c(Cl)c3)c2=O)cc1C ZINC000057491174 195347082 /nfs/dbraw/zinc/34/70/82/195347082.db2.gz XSJSIALLPMDLCP-UHFFFAOYSA-N 0 0 457.914 4.262 50 0 JIAARN CCCCc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3OC)c2=O)cc1 ZINC000057490916 195347138 /nfs/dbraw/zinc/34/71/38/195347138.db2.gz XUHRIFSSSRLXJC-UHFFFAOYSA-N 0 0 463.559 4.204 50 0 JIAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)N(C)c3cccc(Cl)c3)c2=O)c1 ZINC000057492355 195347607 /nfs/dbraw/zinc/34/76/07/195347607.db2.gz CMSXVNZFPQLQHR-UHFFFAOYSA-N 0 0 453.951 4.147 50 0 JIAARN Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccccc2C(C)C)c1=O ZINC000057493648 195348026 /nfs/dbraw/zinc/34/80/26/195348026.db2.gz YVIBGYSGYDCHBG-UHFFFAOYSA-N 0 0 451.523 4.424 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)c(C)c3)c2=O)c(Cl)c1 ZINC000057494439 195348400 /nfs/dbraw/zinc/34/84/00/195348400.db2.gz CGQLAPNWKLXLTG-UHFFFAOYSA-N 0 0 457.914 4.262 50 0 JIAARN CC(C)(C)OC(=O)N1CCC(COC(=O)c2occc2CS(=O)(=O)c2ccccc2)CC1 ZINC000058049172 195363530 /nfs/dbraw/zinc/36/35/30/195363530.db2.gz FBWDCAIQESFQGJ-UHFFFAOYSA-N 0 0 463.552 4.057 50 0 JIAARN O=C(NC1CCCCC1)[C@H]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000058102028 195364832 /nfs/dbraw/zinc/36/48/32/195364832.db2.gz ZABRIPAUDAYNCH-SFHVURJKSA-N 0 0 481.058 4.114 50 0 JIAARN O=C(CN1CCN(c2ccccc2O)CC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000058170530 195370878 /nfs/dbraw/zinc/37/08/78/195370878.db2.gz OVYBXIUWYBLYGF-QFIPXVFZSA-N 0 0 464.953 4.139 50 0 JIAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000058174454 195371472 /nfs/dbraw/zinc/37/14/72/195371472.db2.gz JILXYNDYVZJWMR-NRFANRHFSA-N 0 0 450.926 4.380 50 0 JIAARN O=C(NCCCS(=O)(=O)Cc1ccccc1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000058265106 195375475 /nfs/dbraw/zinc/37/54/75/195375475.db2.gz NZUJEYQSZLDRDN-UHFFFAOYSA-N 0 0 450.004 4.457 50 0 JIAARN O=C([C@H]1CCS(=O)(=O)C1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000021589733 195317634 /nfs/dbraw/zinc/31/76/34/195317634.db2.gz AXJIUXNXYAGNNL-GXTWGEPZSA-N 0 0 475.419 4.064 50 0 JIAARN O=C([C@H]1CCS(=O)(=O)C1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000021589730 195317640 /nfs/dbraw/zinc/31/76/40/195317640.db2.gz AXJIUXNXYAGNNL-JSGCOSHPSA-N 0 0 475.419 4.064 50 0 JIAARN Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)nn1-c1ccccc1C(F)(F)F ZINC000021636845 195318707 /nfs/dbraw/zinc/31/87/07/195318707.db2.gz LCXZAQRPOPGXKZ-UHFFFAOYSA-N 0 0 490.913 4.171 50 0 JIAARN COc1cccc(CNC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@@H](CC(C)C)C(=O)N32)c1 ZINC000021644381 195319317 /nfs/dbraw/zinc/31/93/17/195319317.db2.gz XDXFVEDGMPUIRO-IERDGZPVSA-N 0 0 464.591 4.138 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)N2CCN(Cc3nc4cccnc4n3-c3cccc(C)c3)CC2)c1 ZINC000064578787 195443696 /nfs/dbraw/zinc/44/36/96/195443696.db2.gz ZDEHGXQTFBVBLA-UHFFFAOYSA-N 0 0 498.587 4.255 50 0 JIAARN Cc1ccc(NC(=O)NC2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)cc1F ZINC000064579367 195444147 /nfs/dbraw/zinc/44/41/47/195444147.db2.gz HWPHRJKDQAXGQI-UHFFFAOYSA-N 0 0 486.551 4.078 50 0 JIAARN CCCSc1ncc(Cl)c(C(=O)N[C@H](CCSC)C(=O)Nc2cccc(C)c2)n1 ZINC000061997058 195418410 /nfs/dbraw/zinc/41/84/10/195418410.db2.gz MAVPLLTUUMXKHR-MRXNPFEDSA-N 0 0 453.033 4.431 50 0 JIAARN COC(=O)[C@@H](Cc1ccc2c(c1)CN(Cc1ccccc1)CO2)NC(=O)OCc1ccccc1 ZINC000061991157 195418420 /nfs/dbraw/zinc/41/84/20/195418420.db2.gz ZQEUGPFFUKSWLP-XMMPIXPASA-N 0 0 460.530 4.049 50 0 biogenic JIAARN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000062630635 195428783 /nfs/dbraw/zinc/42/87/83/195428783.db2.gz CFVIAQKDUITZSH-JOCHJYFZSA-N 0 0 478.570 4.180 50 0 JIAARN Cc1c(-c2nc(-c3cccc(C)c3)no2)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12 ZINC000064439168 195435348 /nfs/dbraw/zinc/43/53/48/195435348.db2.gz LHBZNFBJNXJLQF-UHFFFAOYSA-N 0 0 463.563 4.050 50 0 JIAARN COc1ccc(CN2C(=O)C(=O)C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000064558349 195440564 /nfs/dbraw/zinc/44/05/64/195440564.db2.gz OSNPGNVIVNBBRW-QHCPKHFHSA-N 0 0 479.554 4.339 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000096114328 129963183 /nfs/dbraw/zinc/96/31/83/129963183.db2.gz AFARCIDEYYVQQA-WIOPSUGQSA-N 0 0 473.481 4.350 50 0 biogenic JIAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2CN(CC2CC2)C(=O)C(C)C)cc1 ZINC000096288488 130032584 /nfs/dbraw/zinc/03/25/84/130032584.db2.gz DTSDGDXEXQYKOL-UHFFFAOYSA-N 0 0 478.998 4.461 50 0 JIAARN COCCN(Cc1ccccc1OS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)CC(C)(C)C ZINC000096288601 130033047 /nfs/dbraw/zinc/03/30/47/130033047.db2.gz SCXHIVUGIYFBMW-UHFFFAOYSA-N 0 0 467.559 4.013 50 0 JIAARN 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ZINC000096297832 130052251 /nfs/dbraw/zinc/05/22/51/130052251.db2.gz DKVYRRTUBAJEII-BDTNDASRSA-N 0 0 450.878 4.105 50 0 JIAARN Cc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000096322617 130066107 /nfs/dbraw/zinc/06/61/07/130066107.db2.gz XAQVFFMUFXGYNE-UHFFFAOYSA-N 0 0 476.023 4.473 50 0 JIAARN Cc1cccc(N2CCN(CCNC(=O)c3cc(Br)c(Br)s3)CC2)c1 ZINC000096435762 130079724 /nfs/dbraw/zinc/07/97/24/130079724.db2.gz GZNLHDRQADMEDT-UHFFFAOYSA-N 0 0 487.261 4.134 50 0 JIAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000096481715 130100431 /nfs/dbraw/zinc/10/04/31/130100431.db2.gz DUACMEUPVZWOPU-DJKHGBOQSA-N 0 0 499.592 4.474 50 0 JIAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)OCc1nnc(-c2ccccc2)o1 ZINC000096484568 130102638 /nfs/dbraw/zinc/10/26/38/130102638.db2.gz SWRFNDHZXPPASX-QINSGFPZSA-N 0 0 487.537 4.245 50 0 JIAARN Cc1ccc(NC(=O)CSc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)c(C)c1 ZINC000065025891 518189239 /nfs/dbraw/zinc/18/92/39/518189239.db2.gz 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CC(C)CC(=O)Nc1ccc(S(=O)(=O)NCCn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000035481668 519606724 /nfs/dbraw/zinc/60/67/24/519606724.db2.gz WCKKATXHMIPLKH-UHFFFAOYSA-N 0 0 468.501 4.018 50 0 JIAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H]3c3ccc(C)cc3)cc21 ZINC000046018121 519630746 /nfs/dbraw/zinc/63/07/46/519630746.db2.gz WGJUMDVJNMXCFU-IBGZPJMESA-N 0 0 463.397 4.192 50 0 JIAARN CC(C)N(CC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000036072618 519635187 /nfs/dbraw/zinc/63/51/87/519635187.db2.gz BXWFAECLFDXRRY-UHFFFAOYSA-N 0 0 495.986 4.136 50 0 JIAARN CC(C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000021712681 519659609 /nfs/dbraw/zinc/65/96/09/519659609.db2.gz IEHJIKZJRRJWBR-VWLOTQADSA-N 0 0 497.661 4.133 50 0 JIAARN CC(C)N(Cc1nnc(-c2ccccc2Br)o1)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000035388499 519664414 /nfs/dbraw/zinc/66/44/14/519664414.db2.gz WGZRMNWVXHYWFA-QRQCRPRQSA-N 0 0 490.402 4.168 50 0 JIAARN CC(C)N1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)sc2C1 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CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 ZINC000027793866 523042988 /nfs/dbraw/zinc/04/29/88/523042988.db2.gz HLQFGQJCJQQBFK-LJQANCHMSA-N 0 0 453.539 4.497 50 0 JIAARN COc1cc2nc(SCC(=O)c3ccc(Br)cc3)n3nc(C)nc3c2cc1OC ZINC000008682906 523067164 /nfs/dbraw/zinc/06/71/64/523067164.db2.gz JKYKJQAAKBEGGA-UHFFFAOYSA-N 0 0 473.352 4.341 50 0 JIAARN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1F ZINC000065116053 523079737 /nfs/dbraw/zinc/07/97/37/523079737.db2.gz HFQADPGPVQBUDX-UHFFFAOYSA-N 0 0 453.879 4.210 50 0 JIAARN COc1ccc(-c2c[nH]c3c2ncnc3SCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000033169973 523080809 /nfs/dbraw/zinc/08/08/09/523080809.db2.gz HJPNOSBJERGBEC-UHFFFAOYSA-N 0 0 477.565 4.214 50 0 JIAARN CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)NCCCOc3cccnc3)c21 ZINC000012246078 523084078 /nfs/dbraw/zinc/08/40/78/523084078.db2.gz BBSJROXXIFMNPI-UHFFFAOYSA-N 0 0 487.560 4.284 50 0 JIAARN CC[C@@H](Sc1nnc2c(=O)n(-c3ccc(C)c(C)c3)ccn12)C(=O)Nc1cc(OC)ccc1OC ZINC000046047487 523086553 /nfs/dbraw/zinc/08/65/53/523086553.db2.gz ARSNOPKFHRFKNR-OAQYLSRUSA-N 0 0 493.589 4.024 50 0 JIAARN CCn1c(=O)c2cc3c(cc2nc1SCc1nc(-c2ccc(Br)cc2)no1)OCO3 ZINC000033279802 523106550 /nfs/dbraw/zinc/10/65/50/523106550.db2.gz XBFWTMCPPUWVEI-UHFFFAOYSA-N 0 0 487.335 4.250 50 0 JIAARN COc1ccc(-c2ccc(N3CC=C(c4ccccc4)CC3)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000035454874 523135198 /nfs/dbraw/zinc/13/51/98/523135198.db2.gz FTJRNNXYFKQZCN-UHFFFAOYSA-N 0 0 476.602 4.230 50 0 JIAARN COc1ccc(-c2csc3[nH]c(CN(Cc4ccco4)C[C@H](O)COC(C)C)nc(=O)c23)cc1 ZINC000036206285 523174417 /nfs/dbraw/zinc/17/44/17/523174417.db2.gz XZAOYIBGTFVCHX-SFHVURJKSA-N 0 0 483.590 4.041 50 0 JIAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(SC)ncc2Cl)cc1 ZINC000008612024 523178414 /nfs/dbraw/zinc/17/84/14/523178414.db2.gz LGKJXLMQQUMFFH-CQSZACIVSA-N 0 0 455.005 4.057 50 0 JIAARN COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cc(C)cc(C)c3)s2)cc1OC ZINC000008601159 523193646 /nfs/dbraw/zinc/19/36/46/523193646.db2.gz QXBWBRQOSANHBJ-UHFFFAOYSA-N 0 0 453.564 4.050 50 0 JIAARN CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000002836219 523193579 /nfs/dbraw/zinc/19/35/79/523193579.db2.gz WEZUACBTESIVKU-UHFFFAOYSA-N 0 0 478.603 4.082 50 0 JIAARN CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cccc(OC)c1 ZINC000002843036 523193824 /nfs/dbraw/zinc/19/38/24/523193824.db2.gz ZNTOMTHHYWGYNX-UHFFFAOYSA-N 0 0 494.404 4.274 50 0 JIAARN COc1ccc(-c2nc(CN3CCN(Cc4cc(=O)oc5cc(C)ccc45)CC3)c(C)o2)cc1OC ZINC000022752839 523204109 /nfs/dbraw/zinc/20/41/09/523204109.db2.gz LNZNVIZOYGIGPF-UHFFFAOYSA-N 0 0 489.572 4.400 50 0 biogenic,in-vitro JIAARN COc1ccc(-c2nc(N3CCCC3)nc3nn(-c4ccc(Cl)cc4)c(N)c32)cc1OC ZINC000037357826 523222064 /nfs/dbraw/zinc/22/20/64/523222064.db2.gz NDORUPXDXIUEHF-UHFFFAOYSA-N 0 0 450.930 4.336 50 0 JIAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@@H](C)N1C(=O)COc2ccccc21 ZINC000021723385 523228377 /nfs/dbraw/zinc/22/83/77/523228377.db2.gz BPUDVXROLXFATE-CQSZACIVSA-N 0 0 471.970 4.169 50 0 JIAARN CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cn(C)nc1-c1cccc(OC)c1 ZINC000065099087 523229887 /nfs/dbraw/zinc/22/98/87/523229887.db2.gz IZGMCQYIYMVYFL-UHFFFAOYSA-N 0 0 478.578 4.114 50 0 JIAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)C(C)=O ZINC000036116167 523237876 /nfs/dbraw/zinc/23/78/76/523237876.db2.gz JKAFNUPSMFYYMO-NRFANRHFSA-N 0 0 465.015 4.100 50 0 JIAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)c1cccs1 ZINC000036119526 523239581 /nfs/dbraw/zinc/23/95/81/523239581.db2.gz ONFMVRHYTGKRHQ-OAQYLSRUSA-N 0 0 484.643 4.493 50 0 JIAARN CCn1c2cc(NC(=O)c3ccc(F)cc3)c(S(=O)(=O)C3CCCCC3)cc2n(CC)c1=O ZINC000046146324 523257286 /nfs/dbraw/zinc/25/72/86/523257286.db2.gz XSAOUGUSNYGNHU-UHFFFAOYSA-N 0 0 473.570 4.341 50 0 JIAARN CCn1c2cc(NC(=O)c3cccc(OC)c3)c(S(=O)(=O)c3ccc(C)cc3)cc2n(CC)c1=O ZINC000046146284 523259268 /nfs/dbraw/zinc/25/92/68/523259268.db2.gz MGKUKCHKGAPFPY-UHFFFAOYSA-N 0 0 493.585 4.245 50 0 JIAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)NCC3CCCCC3)n2C[C@H]2CCCO2)cc1 ZINC000023546910 523265352 /nfs/dbraw/zinc/26/53/52/523265352.db2.gz PPTOJZATKXMNCT-LAUBAEHRSA-N 0 0 458.628 4.310 50 0 JIAARN COc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCc5ccc(F)cc5Cl)CC4)nn32)cc1 ZINC000033260082 523266468 /nfs/dbraw/zinc/26/64/68/523266468.db2.gz ZRIPEQJJQDYIQS-UHFFFAOYSA-N 0 0 494.958 4.125 50 0 JIAARN COc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4cccc(Cl)c4)c3=O)n2)cc1 ZINC000064971844 523271197 /nfs/dbraw/zinc/27/11/97/523271197.db2.gz VHWWHDHYUABBMZ-UHFFFAOYSA-N 0 0 464.909 4.483 50 0 JIAARN COCCCN1C(=O)C[C@](CC(=O)NCC2(c3ccccc3)CCCCC2)(c2ccccc2)C1=O ZINC000014888150 523286573 /nfs/dbraw/zinc/28/65/73/523286573.db2.gz AYNNBXQWKNJRRZ-GDLZYMKVSA-N 0 0 476.617 4.128 50 0 JIAARN CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008933678 523324318 /nfs/dbraw/zinc/32/43/18/523324318.db2.gz KUTSCHPKNMETFK-UHFFFAOYSA-N 0 0 467.573 4.174 50 0 JIAARN COc1ccc(/C=C\C(=O)NCc2cccc(CNC(=O)/C=C\c3ccc(OC)cc3)c2)cc1 ZINC000033333860 523430900 /nfs/dbraw/zinc/43/09/00/523430900.db2.gz MKHNOZLTGLMQLE-APGQMXJTSA-N 0 0 456.542 4.363 50 0 JIAARN CN(Cc1cccs1)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1 ZINC000008718516 523441858 /nfs/dbraw/zinc/44/18/58/523441858.db2.gz XBSNXJCINJIRNB-HNNXBMFYSA-N 0 0 464.012 4.041 50 0 JIAARN CCn1cc2nc(SCC(=O)NCCC3=CCCCC3)n(Cc3ccc(C)cc3)c(=O)c2n1 ZINC000009299769 523488665 /nfs/dbraw/zinc/48/86/65/523488665.db2.gz OBMIQRMGHLUESC-UHFFFAOYSA-N 0 0 465.623 4.068 50 0 JIAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(-c2nn3cnnc3s2)c1 ZINC000020528425 523489117 /nfs/dbraw/zinc/48/91/17/523489117.db2.gz HNQBFNZKCRCDOQ-VMPITWQZSA-N 0 0 456.325 4.276 50 0 JIAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)ccc21 ZINC000021646414 523496323 /nfs/dbraw/zinc/49/63/23/523496323.db2.gz GLWFFOSOTRPEIB-LJQANCHMSA-N 0 0 459.999 4.032 50 0 JIAARN COc1ccc(Br)cc1CNC(=O)[C@@H](C)Sc1ccc(=O)n(-c2ccc(C)cc2)n1 ZINC000033128352 523499410 /nfs/dbraw/zinc/49/94/10/523499410.db2.gz MKWMUAXATIMOSL-OAHLLOKOSA-N 0 0 488.407 4.109 50 0 JIAARN COc1ccc(Br)cc1CNC(=O)[C@H](C)Sc1ccc(=O)n(-c2ccc(C)cc2)n1 ZINC000033128353 523499475 /nfs/dbraw/zinc/49/94/75/523499475.db2.gz MKWMUAXATIMOSL-HNNXBMFYSA-N 0 0 488.407 4.109 50 0 JIAARN COc1ccc(Br)cc1CNC(=O)c1cc2c(n(-c3ccc(F)cc3)c1=O)CCCC2=O ZINC000033126737 523499681 /nfs/dbraw/zinc/49/96/81/523499681.db2.gz FIUVMKIWNCEFRJ-UHFFFAOYSA-N 0 0 499.336 4.197 50 0 JIAARN COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cc(Cl)ccc3OC)c2c1=O ZINC000048989178 523507661 /nfs/dbraw/zinc/50/76/61/523507661.db2.gz XIECFJLQECPPPG-UHFFFAOYSA-N 0 0 480.952 4.202 50 0 JIAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000014933470 523562516 /nfs/dbraw/zinc/56/25/16/523562516.db2.gz FOWOIYBJNUOQTQ-UHFFFAOYSA-N 0 0 455.543 4.169 50 0 JIAARN CN(c1ccc(OCC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1)S(=O)(=O)c1cccs1 ZINC000013163479 523641682 /nfs/dbraw/zinc/64/16/82/523641682.db2.gz UGSLBHVKXLEDPX-IBGZPJMESA-N 0 0 492.619 4.444 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)c1cccc(C)c1 ZINC000036120345 523649024 /nfs/dbraw/zinc/64/90/24/523649024.db2.gz ULPHAMIFCQXUSY-QHCPKHFHSA-N 0 0 496.604 4.489 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)c1ccccc1 ZINC000036117614 523649463 /nfs/dbraw/zinc/64/94/63/523649463.db2.gz XZESBYAYXUXJHH-QFIPXVFZSA-N 0 0 494.613 4.050 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)c1ccccc1 ZINC000036119815 523649634 /nfs/dbraw/zinc/64/96/34/523649634.db2.gz MNYSHHTZVQWRHF-XMMPIXPASA-N 0 0 478.614 4.350 50 0 JIAARN COc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccc(F)cc3)[C@@H](c3cccc(OC)c3OC)C2)cc1 ZINC000036054386 523667433 /nfs/dbraw/zinc/66/74/33/523667433.db2.gz RJIIHMRGHWZPAD-DNQXCXABSA-N 0 0 492.547 4.024 50 0 JIAARN COc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccc(F)cc3)[C@@H](c3cccc(OC)c3OC)C2)cc1 ZINC000036054388 523672193 /nfs/dbraw/zinc/67/21/93/523672193.db2.gz RJIIHMRGHWZPAD-RPWUZVMVSA-N 0 0 492.547 4.024 50 0 JIAARN COc1ccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000026770611 523679741 /nfs/dbraw/zinc/67/97/41/523679741.db2.gz SWMUXLVAKUHRSZ-NRFANRHFSA-N 0 0 494.345 4.454 50 0 JIAARN CCc1c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)cc(C)n1Cc1cccs1 ZINC000014952163 523686532 /nfs/dbraw/zinc/68/65/32/523686532.db2.gz PTXIOKFAIMDXHO-YRNVUSSQSA-N 0 0 461.631 4.300 50 0 JIAARN CCn1ncc(Cl)c1CNC(=O)CCn1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000002802442 523690664 /nfs/dbraw/zinc/69/06/64/523690664.db2.gz ZPINUKOPXWUVQD-UHFFFAOYSA-N 0 0 468.705 4.118 50 0 JIAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COCC(C)C ZINC000036304335 523737624 /nfs/dbraw/zinc/73/76/24/523737624.db2.gz BHPGLKSULNPAEO-DEOSSOPVSA-N 0 0 497.636 4.464 50 0 JIAARN CCc1cc(=O)oc2cc(OC(=O)CCCCCNS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002093721 523745487 /nfs/dbraw/zinc/74/54/87/523745487.db2.gz KEEDEHKCTBZZIG-UHFFFAOYSA-N 0 0 457.548 4.108 50 0 biogenic JIAARN COc1ccc(C(=O)Nc2nnc(SCc3cc(=O)c4cc(C)ccc4[nH]3)s2)cc1OC ZINC000008598208 523764422 /nfs/dbraw/zinc/76/44/22/523764422.db2.gz JSZZNRCSCKJWLE-UHFFFAOYSA-N 0 0 468.560 4.250 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4F)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1 ZINC000043710829 523778849 /nfs/dbraw/zinc/77/88/49/523778849.db2.gz ORDANPUSHYHLKO-NDBXHCKUSA-N 0 0 468.484 4.233 50 0 JIAARN CCc1cc(N(C)C2CCCCC2)nc(SCc2ccc(C(=O)N3CCN(C)CC3)cc2)n1 ZINC000036028444 523788068 /nfs/dbraw/zinc/78/80/68/523788068.db2.gz LHDBLZAXWNIYEH-UHFFFAOYSA-N 0 0 467.683 4.488 50 0 JIAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)CN1Cc1ccc2ccccc2c1 ZINC000014995632 523789151 /nfs/dbraw/zinc/78/91/51/523789151.db2.gz VTPQCXCWLQXDQB-VXKWHMMOSA-N 0 0 456.464 4.405 50 0 JIAARN CN1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2nc3ccccc3nc21 ZINC000017364492 523799831 /nfs/dbraw/zinc/79/98/31/523799831.db2.gz UDKUHBCQMCREIR-UHFFFAOYSA-N 0 0 463.969 4.009 50 0 JIAARN CO[C@H](C(=O)N1CCc2c(cnc(C)c2CNC(=O)c2ccccc2SC)C1)c1ccccc1 ZINC000012338115 523824298 /nfs/dbraw/zinc/82/42/98/523824298.db2.gz CZHRFBDAAVVYOG-VWLOTQADSA-N 0 0 475.614 4.314 50 0 JIAARN COc1ccc(C)cc1NC(=O)CSc1nnc(CC(=O)Nc2cccc(C(F)(F)F)c2)n1C ZINC000002881386 523827816 /nfs/dbraw/zinc/82/78/16/523827816.db2.gz KQIODNJOISGJKG-UHFFFAOYSA-N 0 0 493.511 4.063 50 0 JIAARN COc1ccc(C)cc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc(C)cc3)no2)c1=O ZINC000012414977 523828688 /nfs/dbraw/zinc/82/86/88/523828688.db2.gz UZAVNRXURGXSPF-UHFFFAOYSA-N 0 0 458.518 4.446 50 0 JIAARN CCc1cc(OCC(=O)N2CCN(c3ccccc3F)CC2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017000 523840420 /nfs/dbraw/zinc/84/04/20/523840420.db2.gz ZLRVAQAYAWDDCQ-UHFFFAOYSA-N 0 0 487.579 4.466 50 0 JIAARN CCc1cc2c(nc(SCC(=O)Nc3cccc(OC)c3)n(Cc3ccco3)c2=O)s1 ZINC000002876365 523847080 /nfs/dbraw/zinc/84/70/80/523847080.db2.gz FERHVZKSJIVNDW-UHFFFAOYSA-N 0 0 455.561 4.401 50 0 JIAARN COCCN1CCN(C(=O)c2csc(-c3ccc(OCc4ccc(F)cc4F)cc3F)n2)CC1 ZINC000034723035 523853636 /nfs/dbraw/zinc/85/36/36/523853636.db2.gz GFZUWDDCLHTWEY-UHFFFAOYSA-N 0 0 491.535 4.211 50 0 JIAARN CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000046027728 523862010 /nfs/dbraw/zinc/86/20/10/523862010.db2.gz JDJLQKLOCICQLT-UHFFFAOYSA-N 0 0 457.640 4.325 50 0 JIAARN CCc1ccc(-c2noc(-c3oc4ccc(S(=O)(=O)N5CCOCC5)cc4c3C)n2)cc1 ZINC000064948518 523863155 /nfs/dbraw/zinc/86/31/55/523863155.db2.gz IHAWEUONGNZADR-UHFFFAOYSA-N 0 0 453.520 4.042 50 0 JIAARN CCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cc(OC)cc(OC)c4)cc3n2)cc1 ZINC000033670389 523868848 /nfs/dbraw/zinc/86/88/48/523868848.db2.gz ACZMQQQSGGVIRV-UHFFFAOYSA-N 0 0 461.547 4.127 50 0 JIAARN CC[C@H](C)CNC(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000037526313 523883650 /nfs/dbraw/zinc/88/36/50/523883650.db2.gz IAJDBTPELZOWSH-KRWDZBQOSA-N 0 0 464.031 4.063 50 0 JIAARN COc1ccc(CC(=O)N2CCC(c3nnc(C(=O)Nc4ccc(F)cc4F)s3)CC2)cc1 ZINC000033272982 523891244 /nfs/dbraw/zinc/89/12/44/523891244.db2.gz XHRBVFMASAZJQA-UHFFFAOYSA-N 0 0 472.517 4.026 50 0 JIAARN COCCNC(=O)CSc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012423948 523899955 /nfs/dbraw/zinc/89/99/55/523899955.db2.gz XOESQCVHLTVIRW-LJQANCHMSA-N 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COc1ccc(NC(=O)c2ccc(CN3c4ccccc4C(=O)N4CCC[C@@H]4C3=O)cc2)cc1F ZINC000021711753 524633858 /nfs/dbraw/zinc/63/38/58/524633858.db2.gz VIYWTCLAMMSZRO-HSZRJFAPSA-N 0 0 473.504 4.238 50 0 JIAARN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)c1 ZINC000033263580 524646920 /nfs/dbraw/zinc/64/69/20/524646920.db2.gz TWIGXJNRVVOQMQ-OAHLLOKOSA-N 0 0 483.981 4.243 50 0 JIAARN COc1ccc(NC(=O)c2nc3c(=O)n(Cc4ccc(Cl)cc4)c4cc(C)ccc4n3n2)cc1 ZINC000033274217 524655161 /nfs/dbraw/zinc/65/51/61/524655161.db2.gz JQHLRLLGCJTTMV-UHFFFAOYSA-N 0 0 473.920 4.315 50 0 JIAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)NCc4ccc(C)cc4)CC3)s2)cc1 ZINC000033273040 524656921 /nfs/dbraw/zinc/65/69/21/524656921.db2.gz LSHDNYWKWSIIKN-UHFFFAOYSA-N 0 0 465.579 4.197 50 0 JIAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)Nc4ccccc4OC)CC3)s2)cc1 ZINC000033273011 524658200 /nfs/dbraw/zinc/65/82/00/524658200.db2.gz INICAARERNDMIV-UHFFFAOYSA-N 0 0 467.551 4.219 50 0 JIAARN COc1ccc(NC(=O)c2nnc(CNC(=O)Nc3ccccc3C(F)(F)F)s2)cc1 ZINC000064991354 524658293 /nfs/dbraw/zinc/65/82/93/524658293.db2.gz DZFLZZSCKSYHSH-UHFFFAOYSA-N 0 0 451.430 4.140 50 0 JIAARN COc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4cc(F)ccc4F)C3)s2)cc1 ZINC000033113134 524659974 /nfs/dbraw/zinc/65/99/74/524659974.db2.gz YCQBGOVLRKPNEW-ZDUSSCGKSA-N 0 0 473.505 4.489 50 0 JIAARN COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1OC ZINC000020259182 524665370 /nfs/dbraw/zinc/66/53/70/524665370.db2.gz HKHUHKUJCYQQMN-UHFFFAOYSA-N 0 0 469.588 4.264 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)cc2)cc1 ZINC000016307316 524688255 /nfs/dbraw/zinc/68/82/55/524688255.db2.gz LXVHBFZFOLDYQP-HSZRJFAPSA-N 0 0 476.558 4.350 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(=O)C3CC3)cc2)cc1 ZINC000033171065 524689684 /nfs/dbraw/zinc/68/96/84/524689684.db2.gz JYPXETGUNPKNEH-RZNTYIFUSA-N 0 0 453.520 4.311 50 0 JIAARN Cc1ccc(Cc2nc3nc4c(c(N5CCN(c6ccc(F)cc6)CC5)n3n2)CCCC4)cc1 ZINC000046023002 524696888 /nfs/dbraw/zinc/69/68/88/524696888.db2.gz 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/nfs/dbraw/zinc/21/20/96/525212096.db2.gz KQDKWOZGBKCZJD-MUUNZHRXSA-N 0 0 480.524 4.014 50 0 JIAARN CS(=O)(=O)Nc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1 ZINC000029166647 525225705 /nfs/dbraw/zinc/22/57/05/525225705.db2.gz DZQIGHZCGGPTHS-UHFFFAOYSA-N 0 0 458.849 4.168 50 0 JIAARN Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc32)no1 ZINC000021665812 525225977 /nfs/dbraw/zinc/22/59/77/525225977.db2.gz VAQWMNKFSKSKQI-HNNXBMFYSA-N 0 0 459.458 4.153 50 0 JIAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3n2C)cc1Br ZINC000021660827 525236204 /nfs/dbraw/zinc/23/62/04/525236204.db2.gz WWRFHBXDRAZERU-AWEZNQCLSA-N 0 0 466.339 4.313 50 0 JIAARN Cc1ccccc1NC(=O)CSc1nc2c3cccnc3sc2c(=O)n1C[C@@H]1CCCO1 ZINC000045922669 525240141 /nfs/dbraw/zinc/24/01/41/525240141.db2.gz VJMBQINJXPVLLC-HNNXBMFYSA-N 0 0 466.588 4.224 50 0 JIAARN Cc1ccc(NC(=O)c2ccccc2Nc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000014074891 525247338 /nfs/dbraw/zinc/24/73/38/525247338.db2.gz CBOLTYAOHAHMSX-UHFFFAOYSA-N 0 0 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C[C@@H](NC(=O)[C@H](C1CCCC1)N1CCN(C(=O)Nc2cccc(F)c2)CC1)c1ccccc1 ZINC000036310455 525286767 /nfs/dbraw/zinc/28/67/67/525286767.db2.gz NZVLYLQFEJXWKP-DVECYGJZSA-N 0 0 452.574 4.411 50 0 JIAARN Cc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C(=O)c1ccco1)C1CC1 ZINC000036122001 525315592 /nfs/dbraw/zinc/31/55/92/525315592.db2.gz VJPVGKPOXQYCJE-FQEVSTJZSA-N 0 0 450.560 4.459 50 0 JIAARN Cc1cc(O)c([C@H](c2ccccc2Cl)N2CCN(c3ccccn3)CC2)c(=O)n1Cc1ccco1 ZINC000022698178 525324991 /nfs/dbraw/zinc/32/49/91/525324991.db2.gz MVNFIMFLIMYUCQ-SANMLTNESA-N 0 0 490.991 4.464 50 0 JIAARN Cc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000033289176 525325563 /nfs/dbraw/zinc/32/55/63/525325563.db2.gz DFXXVTJFZIMFKN-NRFANRHFSA-N 0 0 473.577 4.269 50 0 JIAARN COc1ccc([C@H](NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000022803790 525365639 /nfs/dbraw/zinc/36/56/39/525365639.db2.gz AUVUHTLZBZYMGQ-RZFDLJBBSA-N 0 0 455.602 4.232 50 0 JIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)cc2)C1 ZINC000017244513 525387777 /nfs/dbraw/zinc/38/77/77/525387777.db2.gz PSMMEGQKLFWLCO-IYBDPMFKSA-N 0 0 489.663 4.035 50 0 JIAARN Cc1ccc(OCC(=O)Nc2ccc(SCc3cc(=O)n4c(ncn4C(C)C)n3)cc2)cc1C ZINC000021797689 525396214 /nfs/dbraw/zinc/39/62/14/525396214.db2.gz YTPSIAQNVPWPCL-UHFFFAOYSA-N 0 0 477.590 4.399 50 0 JIAARN Cc1ccc(OCC(=O)Nc2nnc(SCc3cc(=O)c4ccccc4[nH]3)s2)cc1C ZINC000008617309 525398607 /nfs/dbraw/zinc/39/86/07/525398607.db2.gz AFMYYVBJPHRSBZ-UHFFFAOYSA-N 0 0 452.561 4.306 50 0 JIAARN COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4ccccc4Cl)c(=O)[nH]c3C2)cc1OC ZINC000064959199 525404296 /nfs/dbraw/zinc/40/42/96/525404296.db2.gz MZQYAVRMLPBRGH-CQSZACIVSA-N 0 0 452.894 4.211 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)/C=C\c2ccc3c(c2)OCO3)cc1 ZINC000033566977 525407057 /nfs/dbraw/zinc/40/70/57/525407057.db2.gz RAPSQLYPFVPKQO-QKASYZLMSA-N 0 0 484.508 4.358 50 0 JIAARN COc1ccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036062042 525422551 /nfs/dbraw/zinc/42/25/51/525422551.db2.gz UNBKKFZBRABQKX-FGZHOGPDSA-N 0 0 458.986 4.375 50 0 JIAARN COc1ccc([C@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1OC ZINC000012427954 525430765 /nfs/dbraw/zinc/43/07/65/525430765.db2.gz VTGQVTAAZZADRH-XMMPIXPASA-N 0 0 494.551 4.227 50 0 JIAARN Cc1cc(S[C@@H](C)C(=O)Nc2ccccc2)nc2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000033087611 525439184 /nfs/dbraw/zinc/43/91/84/525439184.db2.gz VSPWNIHHMNAMGE-KRWDZBQOSA-N 0 0 455.605 4.447 50 0 JIAARN Cc1cc(S[C@H](C)C(=O)Nc2ccccc2)nc2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000033087610 525440481 /nfs/dbraw/zinc/44/04/81/525440481.db2.gz VSPWNIHHMNAMGE-QGZVFWFLSA-N 0 0 455.605 4.447 50 0 JIAARN COc1ccc([C@]2(CC(=O)N3CCC(Sc4ccc(F)cc4)CC3)CC(=O)N(C3CC3)C2=O)cc1 ZINC000014882376 525446758 /nfs/dbraw/zinc/44/67/58/525446758.db2.gz DDRORZBHEJWORH-MHZLTWQESA-N 0 0 496.604 4.167 50 0 JIAARN Cc1cccn2c(=O)nc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)nc12 ZINC000016689571 525463374 /nfs/dbraw/zinc/46/33/74/525463374.db2.gz PMZWKVCJHVZVRR-SFHVURJKSA-N 0 0 479.562 4.069 50 0 JIAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000033308238 525488808 /nfs/dbraw/zinc/48/88/08/525488808.db2.gz ISUXEGXQZQBGAK-UHFFFAOYSA-N 0 0 477.542 4.427 50 0 JIAARN COc1ccc2c(COC(=O)c3cc(OC)c(OC)cc3NC(=O)C3CCCC3)cc(=O)oc2c1 ZINC000023582877 525502592 /nfs/dbraw/zinc/50/25/92/525502592.db2.gz PRADQOPUTAFUIH-UHFFFAOYSA-N 0 0 481.501 4.305 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)cc1 ZINC000046123879 525532266 /nfs/dbraw/zinc/53/22/66/525532266.db2.gz NSQROXNFQOVDIJ-OAHLLOKOSA-N 0 0 477.011 4.321 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)[C@@H](C)Oc4cccc(Cl)c4)sc3C2)cc1 ZINC000021654604 525554426 /nfs/dbraw/zinc/55/44/26/525554426.db2.gz LOUMQAGMLGMZNU-OAHLLOKOSA-N 0 0 492.022 4.258 50 0 JIAARN Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)cc1 ZINC000002148789 525566128 /nfs/dbraw/zinc/56/61/28/525566128.db2.gz XNBDXQYTGBJYRC-UHFFFAOYSA-N 0 0 491.565 4.275 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC(c3noc(-c4cccc(C)c4)n3)CC2)C(C)C)cc1 ZINC000033139574 525579293 /nfs/dbraw/zinc/57/92/93/525579293.db2.gz ORTWIIBKPMHJCJ-HSZRJFAPSA-N 0 0 496.633 4.063 50 0 JIAARN Cc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000014985597 525581165 /nfs/dbraw/zinc/58/11/65/525581165.db2.gz GXMKKIUMPWQQPK-UHFFFAOYSA-N 0 0 479.606 4.493 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2)cc1 ZINC000002147761 525582733 /nfs/dbraw/zinc/58/27/33/525582733.db2.gz NKSKOUYCTWJQJW-NRFANRHFSA-N 0 0 457.548 4.017 50 0 biogenic JIAARN CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1nc2ccccc2[nH]1 ZINC000006152458 525591327 /nfs/dbraw/zinc/59/13/27/525591327.db2.gz LWKAXWSNODNUGA-QFIPXVFZSA-N 0 0 486.663 4.352 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)cc1 ZINC000016424967 525598656 /nfs/dbraw/zinc/59/86/56/525598656.db2.gz SJPFKDQHVCXXIJ-UHFFFAOYSA-N 0 0 469.994 4.412 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1Cl)C3=O ZINC000021859819 525644532 /nfs/dbraw/zinc/64/45/32/525644532.db2.gz CQKFMOPDBOLXSE-IBVKSMDESA-N 0 0 481.980 4.013 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1Cl)C3=O ZINC000021859815 525646482 /nfs/dbraw/zinc/64/64/82/525646482.db2.gz CQKFMOPDBOLXSE-FQRUVTKNSA-N 0 0 481.980 4.013 50 0 JIAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000033088237 525657487 /nfs/dbraw/zinc/65/74/87/525657487.db2.gz YOKZCSBDUQVODQ-HNNXBMFYSA-N 0 0 480.546 4.299 50 0 JIAARN Cc1cc2nc(COc3ccccc3NC(=O)c3ccccc3Br)cc(=O)n2o1 ZINC000035378561 525673397 /nfs/dbraw/zinc/67/33/97/525673397.db2.gz WJAYQEMCIWXFAV-UHFFFAOYSA-N 0 0 454.280 4.190 50 0 JIAARN Cc1c(C)n(-c2ccccc2)c2ncn(CCC(=O)NCc3ccc(OC(C)C)cc3)c(=O)c12 ZINC000021885809 525678256 /nfs/dbraw/zinc/67/82/56/525678256.db2.gz MJVYSFYZSJTAMV-UHFFFAOYSA-N 0 0 458.562 4.298 50 0 JIAARN Cc1c(C)n(-c2ccccc2)c2ncn(CCC(=O)NCc3cccc(Br)c3)c(=O)c12 ZINC000021885807 525679416 /nfs/dbraw/zinc/67/94/16/525679416.db2.gz YLGHDYPFMHAPBM-UHFFFAOYSA-N 0 0 479.378 4.273 50 0 JIAARN COc1cccc(-c2cc(=O)n3c4ccccc4n(CC(=O)Nc4ccc(C(C)=O)cc4)c3n2)c1 ZINC000040484876 525698601 /nfs/dbraw/zinc/69/86/01/525698601.db2.gz WFOLGSVXPRZFAB-UHFFFAOYSA-N 0 0 466.497 4.166 50 0 JIAARN COc1cccc(-c2cc3c(N4CCC[C@@H](C(=O)NCc5ccc(F)cc5)C4)nccn3n2)c1 ZINC000033266457 525709198 /nfs/dbraw/zinc/70/91/98/525709198.db2.gz OTLPXQRJXFFZBH-HXUWFJFHSA-N 0 0 459.525 4.077 50 0 JIAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2cccc(Br)c2)c(C)n3C)c1 ZINC000035448627 525711430 /nfs/dbraw/zinc/71/14/30/525711430.db2.gz ACKGCGCXSPQFOC-UHFFFAOYSA-N 0 0 495.377 4.351 50 0 JIAARN Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)c3ccccc3n2)o1 ZINC000014109001 525721383 /nfs/dbraw/zinc/72/13/83/525721383.db2.gz NHRQYCVKXJRDGI-UHFFFAOYSA-N 0 0 479.533 4.089 50 0 JIAARN Cc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3c(n[nH]c3-c3ccc(F)cc3)n2)cc1 ZINC000033269500 525722812 /nfs/dbraw/zinc/72/28/12/525722812.db2.gz CRMCPRNPBSBCHB-UHFFFAOYSA-N 0 0 473.552 4.192 50 0 JIAARN COc1cccc(-c2nn(C)cc2-c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)c1 ZINC000065099135 525731740 /nfs/dbraw/zinc/73/17/40/525731740.db2.gz WXSVFDWUXUMHGN-UHFFFAOYSA-N 0 0 462.579 4.239 50 0 JIAARN COc1cccc(-c2nnc3c4ccccc4nc(N4CCCN(C(=O)c5ccccc5)CC4)n23)c1 ZINC000037554767 525734339 /nfs/dbraw/zinc/73/43/39/525734339.db2.gz QJZSCSWSTKZKON-UHFFFAOYSA-N 0 0 478.556 4.306 50 0 JIAARN COc1cccc(-c2noc(-c3ccc(CS(=O)(=O)Cc4ccccc4C)o3)n2)c1OC ZINC000085644193 525735479 /nfs/dbraw/zinc/73/54/79/525735479.db2.gz MZPAWHXNPWIQHI-UHFFFAOYSA-N 0 0 454.504 4.437 50 0 JIAARN COc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccccc3)n2)c1OC ZINC000035483925 525736630 /nfs/dbraw/zinc/73/66/30/525736630.db2.gz NYYDPRSSSMHPRM-UHFFFAOYSA-N 0 0 457.533 4.307 50 0 JIAARN Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Br)cc5)no4)ncn3n2)c(C)c1 ZINC000065112657 525738084 /nfs/dbraw/zinc/73/80/84/525738084.db2.gz NXFHKNOEDBZLHS-UHFFFAOYSA-N 0 0 477.322 4.036 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)Nc3ccc(F)cc3)C2)c1 ZINC000033302582 525744183 /nfs/dbraw/zinc/74/41/83/525744183.db2.gz NJVQXPQKWIQYFR-MRXNPFEDSA-N 0 0 478.549 4.450 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)NCCc3cccs3)CC2)c1 ZINC000033175400 525744383 /nfs/dbraw/zinc/74/43/83/525744383.db2.gz DYXXDVFHACDOIN-UHFFFAOYSA-N 0 0 494.642 4.093 50 0 JIAARN COc1cccc(-n2cc(CNC(=O)CN3Cc4ccccc4O[C@@H](c4ccccc4OC)C3)cn2)c1 ZINC000014951843 525751951 /nfs/dbraw/zinc/75/19/51/525751951.db2.gz XIRVXRLYSHUJPP-MUUNZHRXSA-N 0 0 498.583 4.142 50 0 JIAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CCC(C)C)C(=O)CC(C)C)CC3)nn2)cc1 ZINC000036069892 525755055 /nfs/dbraw/zinc/75/50/55/525755055.db2.gz QUFQNTCNPKDERB-UHFFFAOYSA-N 0 0 465.642 4.021 50 0 JIAARN COc1cccc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000033334442 525766500 /nfs/dbraw/zinc/76/65/00/525766500.db2.gz AEEYHLNJJAKACB-HAHDFKILSA-N 0 0 485.540 4.422 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)N1CCN(Cc2nc3cc(C(=O)NC(C)C)ccc3n2C)CC1 ZINC000033275802 525770629 /nfs/dbraw/zinc/77/06/29/525770629.db2.gz BKDYTBHLZXRMBX-UHFFFAOYSA-N 0 0 483.016 4.023 50 0 JIAARN COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c1O ZINC000013645594 525777455 /nfs/dbraw/zinc/77/74/55/525777455.db2.gz PCCSKQZZQYBJDJ-CVGPFBNFSA-N 0 0 472.591 4.094 50 0 JIAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000033249561 525790071 /nfs/dbraw/zinc/79/00/71/525790071.db2.gz LGKSLXQUMRZLJV-NDEPHWFRSA-N 0 0 471.557 4.357 50 0 JIAARN COc1cccc(C(=O)N(CCN2CCOCC2)Cc2csc(COc3ccccc3C)n2)c1 ZINC000036114783 525792294 /nfs/dbraw/zinc/79/22/94/525792294.db2.gz VIYYKSDSOGSWMI-UHFFFAOYSA-N 0 0 481.618 4.014 50 0 JIAARN Cc1ccc(-c2nc(C3CCN(C(=O)[C@H]4CC(=O)N(c5cccc(Cl)c5)C4)CC3)no2)cc1 ZINC000033281809 525805512 /nfs/dbraw/zinc/80/55/12/525805512.db2.gz ISURAUBBSYMZSS-IBGZPJMESA-N 0 0 464.953 4.458 50 0 JIAARN COc1cccc(C(=O)N2CCSC23CCN(S(=O)(=O)c2ccc4ccccc4c2)CC3)c1 ZINC000016486195 525806584 /nfs/dbraw/zinc/80/65/84/525806584.db2.gz ABANRUGOIBUDCG-UHFFFAOYSA-N 0 0 482.627 4.218 50 0 JIAARN Cc1ccsc1C(=O)N1CCC[C@H](COc2cccc(CN(C)Cc3cnn(C)c3)c2)C1 ZINC000014988629 525821532 /nfs/dbraw/zinc/82/15/32/525821532.db2.gz UQQRBVFCGVNIDE-NRFANRHFSA-N 0 0 452.624 4.353 50 0 JIAARN Cc1ccc(-c2nc3n(n2)c(=O)c(Cc2ccccc2)c(C)n3CC(=O)N2CCCCCC2)cc1 ZINC000033027485 525827201 /nfs/dbraw/zinc/82/72/01/525827201.db2.gz HGXYCYGHRFIMFB-UHFFFAOYSA-N 0 0 469.589 4.168 50 0 JIAARN Cc1ccsc1CN(C(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000016749672 525834653 /nfs/dbraw/zinc/83/46/53/525834653.db2.gz IRICYDOFTPFPID-IRXDYDNUSA-N 0 0 456.029 4.310 50 0 JIAARN Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)o2)c(C)c1 ZINC000013829309 525853587 /nfs/dbraw/zinc/85/35/87/525853587.db2.gz USIPQNHVRXZFBX-CALCHBBNSA-N 0 0 468.579 4.272 50 0 JIAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2c3ccccc3nc3c2CCCCC3)c(=O)n(-c2ccccc2)n1C ZINC000012461638 525855737 /nfs/dbraw/zinc/85/57/37/525855737.db2.gz ITALRMQXQXRHOG-IBGZPJMESA-N 0 0 498.583 4.486 50 0 JIAARN COc1cccc(CC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)c1 ZINC000046123361 525865385 /nfs/dbraw/zinc/86/53/85/525865385.db2.gz ODBAYLATZPFQCJ-MRXNPFEDSA-N 0 0 470.982 4.401 50 0 JIAARN Cc1c(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000012466046 525866063 /nfs/dbraw/zinc/86/60/63/525866063.db2.gz JSYHRMXAPHMNKJ-AEFFLSMTSA-N 0 0 486.454 4.187 50 0 JIAARN COc1cccc(CC(=O)N2CCc3nc(N4CCCCC4)nc(Oc4cccc(OC)c4)c3C2)c1 ZINC000034758604 525870632 /nfs/dbraw/zinc/87/06/32/525870632.db2.gz FEMIZKUGBHIXPL-UHFFFAOYSA-N 0 0 488.588 4.404 50 0 JIAARN Cc1ccc(-c2noc(-c3cn(CC(=O)NCCCc4ccccc4)c4nc(C)ccc4c3=O)n2)cc1 ZINC000021655434 525871306 /nfs/dbraw/zinc/87/13/06/525871306.db2.gz HGQPJWZXFHRVFD-UHFFFAOYSA-N 0 0 493.567 4.479 50 0 JIAARN Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000065318923 525872662 /nfs/dbraw/zinc/87/26/62/525872662.db2.gz ZDDAOLAJYLJLQF-UHFFFAOYSA-N 0 0 454.552 4.089 50 0 JIAARN C[C@H](OC(=O)CNC(=O)c1cccc(OC(F)F)c1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000016097214 525882532 /nfs/dbraw/zinc/88/25/32/525882532.db2.gz ONUAOBPWFXBNIA-ZDUSSCGKSA-N 0 0 499.495 4.287 50 0 JIAARN Cc1c(S(=O)(=O)N2CCC3(CC2)OCCO3)cc(-c2nc(-c3cccc(Cl)c3)cs2)n1C ZINC000065008931 525884093 /nfs/dbraw/zinc/88/40/93/525884093.db2.gz UROIMOBWMKRJAR-UHFFFAOYSA-N 0 0 494.038 4.305 50 0 JIAARN Cc1ccc(-c2nsc3c2ncn(CC(=O)Nc2cccc(Br)c2)c3=O)cc1 ZINC000033300085 525888644 /nfs/dbraw/zinc/88/86/44/525888644.db2.gz NVSVZLFIWJXZBK-UHFFFAOYSA-N 0 0 455.337 4.230 50 0 JIAARN Cc1ccc(-n2c(S[C@@H](C)C(=O)NC(=O)NC(C)C)nc3sc4c(c3c2=O)CCC4)c(C)c1 ZINC000016772570 525900891 /nfs/dbraw/zinc/90/08/91/525900891.db2.gz XLTONJMGEVCKLG-HNNXBMFYSA-N 0 0 484.647 4.268 50 0 JIAARN Cc1ccc(-n2c3nc(-c4cccc(F)c4F)nc(C(N)=O)c3n(Cc3ccccc3)c2=O)cc1C ZINC000064966071 525903673 /nfs/dbraw/zinc/90/36/73/525903673.db2.gz IFDRJFZSOJGPCX-UHFFFAOYSA-N 0 0 485.494 4.291 50 0 JIAARN Cc1ccc(-n2c(S[C@H](C)C(=O)N3CCN(C)CC3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000012528185 525903834 /nfs/dbraw/zinc/90/38/34/525903834.db2.gz XHIXMUBZQHRJJY-QGZVFWFLSA-N 0 0 456.015 4.151 50 0 JIAARN Cc1ccc(-n2cc3c(c(C(=O)Nc4ccc5c(c4)OCCO5)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000328 525909299 /nfs/dbraw/zinc/90/92/99/525909299.db2.gz OVUFYSWHBSBYQS-UHFFFAOYSA-N 0 0 458.514 4.325 50 0 JIAARN Cc1ccc(-n2cc3c(c(C(=O)N4CCN(c5ccc(F)cc5)CC4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000377 525909871 /nfs/dbraw/zinc/90/98/71/525909871.db2.gz DEHZYQNCNUTSHG-UHFFFAOYSA-N 0 0 487.575 4.403 50 0 JIAARN Cc1ccc(-n2cc3c(n2)ncnc3N2CCC[C@H](C(=O)NCc3ccc(F)cc3Cl)C2)cc1 ZINC000033273760 525913427 /nfs/dbraw/zinc/91/34/27/525913427.db2.gz SJRIXDNZNCKODI-SFHVURJKSA-N 0 0 478.959 4.449 50 0 JIAARN C[C@@]12c3[nH]c4ccccc4c3[C@H](c3ccc(Cl)cc3)CN1C(=O)CN(C[C@H]1CCCO1)C2=O ZINC000008789062 525918891 /nfs/dbraw/zinc/91/88/91/525918891.db2.gz XYXJTNSYGYMHIB-FXABVQRQSA-N 0 0 463.965 4.032 50 0 biogenic JIAARN COc1cccc(CN2C(=O)c3cc4c(c(OC)ccc4OC)n3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000021857745 525928811 /nfs/dbraw/zinc/92/88/11/525928811.db2.gz NBBJNDYQQUZQKC-NDEPHWFRSA-N 0 0 491.588 4.141 50 0 JIAARN Cc1ccc(-n2nc(O[C@@H](C)C(=O)Nc3ccc(Br)cc3C)ccc2=O)cc1C ZINC000033125378 525929996 /nfs/dbraw/zinc/92/99/96/525929996.db2.gz REVMOVKJAHEJHN-INIZCTEOSA-N 0 0 456.340 4.326 50 0 JIAARN Cc1c2cc(Br)ccc2oc1C(=O)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000016753925 525939793 /nfs/dbraw/zinc/93/97/93/525939793.db2.gz XJNJLGWKJUPNON-KRWDZBQOSA-N 0 0 480.355 4.472 50 0 JIAARN Cc1cn2c(nc(COC(=O)c3cccc(NC(=O)c4ccccc4Cl)c3)cc2=O)s1 ZINC000008607203 525941843 /nfs/dbraw/zinc/94/18/43/525941843.db2.gz FUGVFEACTBIXEP-UHFFFAOYSA-N 0 0 453.907 4.327 50 0 JIAARN Cc1cn2c(nc(COc3ccc(C)cc3NC(=O)COc3ccc(F)cc3)cc2=O)s1 ZINC000064976853 525942114 /nfs/dbraw/zinc/94/21/14/525942114.db2.gz FKSSRFVSFDHBRQ-UHFFFAOYSA-N 0 0 453.495 4.108 50 0 JIAARN Cc1c2cc(C)c(C)c(S(=O)(=O)Nc3ccc(F)cc3Cl)c2oc1C(=O)N1CCOCC1 ZINC000065010864 525942335 /nfs/dbraw/zinc/94/23/35/525942335.db2.gz LSULKSSJMWPWSW-UHFFFAOYSA-N 0 0 480.945 4.424 50 0 JIAARN COc1cccc(CNC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1OC ZINC000067289926 525975339 /nfs/dbraw/zinc/97/53/39/525975339.db2.gz REKMXUDRAAWNRF-UHFFFAOYSA-N 0 0 462.575 4.439 50 0 JIAARN COc1cccc(CNC(=O)Cn2c3ccccc3nc2SCC(=O)Nc2ccc(F)cc2)c1 ZINC000008609002 525978706 /nfs/dbraw/zinc/97/87/06/525978706.db2.gz GUXBRDJSKMCQOX-UHFFFAOYSA-N 0 0 478.549 4.231 50 0 JIAARN Cc1c2cnn(CC(=O)NCCCc3ccccc3)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000020417667 525993992 /nfs/dbraw/zinc/99/39/92/525993992.db2.gz XUNRKGOJNUSPLC-UHFFFAOYSA-N 0 0 462.981 4.266 50 0 JIAARN CSc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cc1 ZINC000008611881 526000159 /nfs/dbraw/zinc/00/01/59/526000159.db2.gz ORESCTKLANXTKJ-UHFFFAOYSA-N 0 0 457.621 4.005 50 0 aggregator JIAARN COc1cccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)c1 ZINC000033129985 526007527 /nfs/dbraw/zinc/00/75/27/526007527.db2.gz DKWAQGXGMINISJ-UHFFFAOYSA-N 0 0 450.560 4.077 50 0 biogenic JIAARN CSc1ccc(N2C[C@@H](c3nnc(NC(=O)COc4ccccc4C(C)C)o3)CC2=O)cc1 ZINC000033291387 526021962 /nfs/dbraw/zinc/02/19/62/526021962.db2.gz OIJNOUVEJCHEOT-INIZCTEOSA-N 0 0 466.563 4.453 50 0 JIAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1C ZINC000022792453 526053818 /nfs/dbraw/zinc/05/38/18/526053818.db2.gz ZEIQVDSVKLZEQN-IVMVZBHWSA-N 0 0 494.639 4.387 50 0 JIAARN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000022417583 526057243 /nfs/dbraw/zinc/05/72/43/526057243.db2.gz GVCFKHGNVYBQJL-CQSZACIVSA-N 0 0 450.532 4.338 50 0 JIAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC000033288166 526068884 /nfs/dbraw/zinc/06/88/84/526068884.db2.gz ZLTUUMHCLPUDMN-UHFFFAOYSA-N 0 0 488.931 4.020 50 0 JIAARN Cc1ccc(C(=O)N2CCC([C@@]3(c4cccnc4)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)cc1 ZINC000012247233 526087269 /nfs/dbraw/zinc/08/72/69/526087269.db2.gz HJJPZWMGUPZVKZ-NDEPHWFRSA-N 0 0 486.547 4.029 50 0 JIAARN COc1cccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5cccc(Cl)c5)no4)ccc3c2=O)c1 ZINC000085601881 526106466 /nfs/dbraw/zinc/10/64/66/526106466.db2.gz PUYKUSDXIVKWBL-UHFFFAOYSA-N 0 0 460.877 4.117 50 0 JIAARN COc1cccc(Cn2c(=O)c3sccc3n(Cc3nc(-c4ccccc4Cl)no3)c2=O)c1 ZINC000048985819 526108811 /nfs/dbraw/zinc/10/88/11/526108811.db2.gz AMULFOCYYLZOKV-UHFFFAOYSA-N 0 0 480.933 4.033 50 0 JIAARN Cc1ccc(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)cc1NC(=O)c1ccco1 ZINC000026081069 526113338 /nfs/dbraw/zinc/11/33/38/526113338.db2.gz XBWWPELPHUWLQJ-UHFFFAOYSA-N 0 0 467.953 4.331 50 0 JIAARN CSc1cccc(NC(=O)N2CCN(CCn3c4ncccc4nc3C(F)(F)F)CC2)c1 ZINC000033139674 526120773 /nfs/dbraw/zinc/12/07/73/526120773.db2.gz MRGQSSIERCMJDX-UHFFFAOYSA-N 0 0 464.517 4.022 50 0 JIAARN Cc1cc(=O)c(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)nn1-c1ccccc1C(F)(F)F ZINC000024928326 526128502 /nfs/dbraw/zinc/12/85/02/526128502.db2.gz WKHUBSSQKVELCR-IBGZPJMESA-N 0 0 478.902 4.246 50 0 JIAARN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000036416337 526139379 /nfs/dbraw/zinc/13/93/79/526139379.db2.gz XFRBVDDECMBSOW-UONOGXRCSA-N 0 0 463.365 4.016 50 0 JIAARN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000036408810 526155223 /nfs/dbraw/zinc/15/52/23/526155223.db2.gz MKJJUURQMUATBA-UONOGXRCSA-N 0 0 463.365 4.016 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000008924986 526169039 /nfs/dbraw/zinc/16/90/39/526169039.db2.gz QRCOQZBHRWOAES-UHFFFAOYSA-N 0 0 457.368 4.354 50 0 JIAARN C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000040012063 526177803 /nfs/dbraw/zinc/17/78/03/526177803.db2.gz LFHZOBRKLHUTQV-JPYJTQIMSA-N 0 0 452.986 4.122 50 0 JIAARN COc1cccc(NC(=O)CSc2cn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc23)c1 ZINC000017246851 526178613 /nfs/dbraw/zinc/17/86/13/526178613.db2.gz APFZOIRJEAGTHJ-QZTJIDSGSA-N 0 0 467.591 4.017 50 0 JIAARN COc1cccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N4CCCCC4)ccc3n2)c1 ZINC000033087656 526178908 /nfs/dbraw/zinc/17/89/08/526178908.db2.gz FQUJFKUJKSKOEA-UHFFFAOYSA-N 0 0 485.631 4.457 50 0 JIAARN COc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)c1 ZINC000002908957 526180998 /nfs/dbraw/zinc/18/09/98/526180998.db2.gz ZSENSBJAONBQGY-UHFFFAOYSA-N 0 0 455.536 4.385 50 0 JIAARN COc1cccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)c1 ZINC000033113381 526188719 /nfs/dbraw/zinc/18/87/19/526188719.db2.gz QGPQFXWCYKKIQY-CQSZACIVSA-N 0 0 455.515 4.350 50 0 JIAARN Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c(C)n1C1CC1 ZINC000022723328 526211238 /nfs/dbraw/zinc/21/12/38/526211238.db2.gz KGJWFBMNGWYLLZ-UHFFFAOYSA-N 0 0 472.588 4.020 50 0 JIAARN COc1cccc(Nc2nc(C(=O)N(CC(=O)NCc3ccco3)Cc3ccccc3)cs2)c1 ZINC000037426585 526212838 /nfs/dbraw/zinc/21/28/38/526212838.db2.gz IJIZTLAJVMQFAB-UHFFFAOYSA-N 0 0 476.558 4.447 50 0 JIAARN CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(N2CCCC2)n1 ZINC000020357473 526216776 /nfs/dbraw/zinc/21/67/76/526216776.db2.gz JPJLEIWYZRKOMN-UHFFFAOYSA-N 0 0 471.652 4.250 50 0 JIAARN COc1cccc(OC)c1C(=O)NCc1nnc(SCc2ccccc2F)n1CC(C)C ZINC000014960923 526216932 /nfs/dbraw/zinc/21/69/32/526216932.db2.gz JQPZWVRBARWROA-UHFFFAOYSA-N 0 0 458.559 4.313 50 0 JIAARN CSc1nc2nc(C)c(CC(=O)NC[C@@H](c3c[nH]c4ccccc43)c3ccccc3)c(C)n2n1 ZINC000025409122 526217995 /nfs/dbraw/zinc/21/79/95/526217995.db2.gz FLUFDQGPRWBUOK-OAQYLSRUSA-N 0 0 470.602 4.435 50 0 JIAARN Cc1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1nc(C(=O)N[C@H](C)CCc3ccccc3)nn12 ZINC000033274444 526218947 /nfs/dbraw/zinc/21/89/47/526218947.db2.gz KFSYARSYJUYGHT-LJQANCHMSA-N 0 0 483.547 4.291 50 0 JIAARN Cc1ccc(C(=O)Nc2ccc(Sc3ccccc3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000004257575 526222802 /nfs/dbraw/zinc/22/28/02/526222802.db2.gz CNUXLGGNIHGAOV-UHFFFAOYSA-N 0 0 468.600 4.419 50 0 JIAARN CSc1ncccc1C(=O)N1CCC(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000044001626 526223037 /nfs/dbraw/zinc/22/30/37/526223037.db2.gz YOTBFVSBWNGRMZ-UHFFFAOYSA-N 0 0 462.015 4.283 50 0 JIAARN CSc1nn(CC(=O)Nc2c(C)cc(C)cc2C)c(N)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000045986965 526223542 /nfs/dbraw/zinc/22/35/42/526223542.db2.gz OCRCVVQGGOOOGG-UHFFFAOYSA-N 0 0 479.027 4.237 50 0 JIAARN Cc1cc(C(=O)N(Cc2ccco2)Cc2cc3cc4c(cc3nc2N2CCOCC2)CCC4)n(C)n1 ZINC000012338254 526233944 /nfs/dbraw/zinc/23/39/44/526233944.db2.gz QEWMEJQDYIMWLV-UHFFFAOYSA-N 0 0 485.588 4.038 50 0 JIAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)C(C)C)c1 ZINC000036117146 526235412 /nfs/dbraw/zinc/23/54/12/526235412.db2.gz GLIJRRVQBFCPGN-JOCHJYFZSA-N 0 0 458.624 4.402 50 0 JIAARN Cc1ccc(C(O)=C2[C@H](c3ccc(-c4ccc(F)cc4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 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553744385 /nfs/dbraw/zinc/74/43/85/553744385.db2.gz WWKKNFDBVODOPM-WRHNGFHOSA-N 0 0 498.620 4.466 50 0 JIAARN COc1ccc(CNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000670015 553744773 /nfs/dbraw/zinc/74/47/73/553744773.db2.gz MPQKNLMVSPDXKO-UHFFFAOYSA-N 0 0 458.967 4.169 50 0 JIAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4cnn(C)c4C)c(Cl)c3N2)cc1 ZINC000000672182 553745912 /nfs/dbraw/zinc/74/59/12/553745912.db2.gz NKJMKCQEROWKSJ-HZPDHXFCSA-N 0 0 482.894 4.177 50 0 JIAARN COc1ccc(CC(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000000677097 553750933 /nfs/dbraw/zinc/75/09/33/553750933.db2.gz COWBUWQPVDRMOF-UHFFFAOYSA-N 0 0 483.615 4.169 50 0 JIAARN CCSc1nnc2c(n1)O[C@H](c1ccc(OC(C)=O)c(OC)c1)N(C(C)=O)c1ccccc1-2 ZINC000000683399 553754996 /nfs/dbraw/zinc/75/49/96/553754996.db2.gz JRIROVRPNSIQFE-JOCHJYFZSA-N 0 0 466.519 4.029 50 0 JIAARN COc1ccc(NC(=O)N2CCN(c3nc(C)nc(C)c3Cc3ccc(C)cc3)CC2)c(OC)c1 ZINC000000694585 553759951 /nfs/dbraw/zinc/75/99/51/553759951.db2.gz 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CCOc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3)nc3c(c2=O)SCC3)cc1 ZINC000000755473 553777725 /nfs/dbraw/zinc/77/77/25/553777725.db2.gz UBDXULMQWUZNHH-UHFFFAOYSA-N 0 0 469.588 4.019 50 0 JIAARN O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCN(c2ccccc2)CC1 ZINC000000759302 553777975 /nfs/dbraw/zinc/77/79/75/553777975.db2.gz QWAZPWAMKXZRQA-UHFFFAOYSA-N 0 0 457.481 4.439 50 0 JIAARN CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc2)CC1 ZINC000000792951 553781788 /nfs/dbraw/zinc/78/17/88/553781788.db2.gz PHXNVOQCEARPNR-UHFFFAOYSA-N 0 0 476.664 4.195 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)c1ccc2c(c1)OCO2 ZINC000000812926 553785265 /nfs/dbraw/zinc/78/52/65/553785265.db2.gz QUQQMUUASQQDMW-UHFFFAOYSA-N 0 0 482.514 4.475 50 0 JIAARN CCOc1ccccc1NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000000817020 553785571 /nfs/dbraw/zinc/78/55/71/553785571.db2.gz QXNNHDXCBXJWBC-UHFFFAOYSA-N 0 0 454.548 4.236 50 0 JIAARN COc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000000817278 553785606 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CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc(I)cc2)C1=O ZINC000000981224 553891368 /nfs/dbraw/zinc/89/13/68/553891368.db2.gz YBALVZVQSDMJMR-IEMQHYRPSA-N 0 0 496.326 4.070 50 0 JIAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1Cl ZINC000000983459 553892487 /nfs/dbraw/zinc/89/24/87/553892487.db2.gz VCVAAOIURJNEML-UHFFFAOYSA-N 0 0 450.988 4.313 50 0 JIAARN COc1ccc(/N=c2\oc3c(Br)cc(Br)cc3cc2C(N)=O)cc1 ZINC000000984942 553892849 /nfs/dbraw/zinc/89/28/49/553892849.db2.gz FAZDWFCXCIKEDF-FXBPSFAMSA-N 0 0 452.102 4.298 50 0 JIAARN O=C(c1ccccc1F)N1C(=O)/C(=C\c2ccccc2I)SC1=S ZINC000001027716 553900808 /nfs/dbraw/zinc/90/08/08/553900808.db2.gz SLZLPNYTNVZEHD-NTEUORMPSA-N 0 0 469.300 4.472 50 0 JIAARN O=C(CSc1nnnn1-c1cccc2ccccc21)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000001060859 553902848 /nfs/dbraw/zinc/90/28/48/553902848.db2.gz CVKVNTVSEVDOLX-UHFFFAOYSA-N 0 0 480.981 4.036 50 0 aggregator JIAARN O=C(Nc1ccc(NC(=S)NC(=O)c2cccc(I)c2)cc1)c1ccco1 ZINC000001169777 553921814 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554077589 /nfs/dbraw/zinc/07/75/89/554077589.db2.gz QJBSFHPERQYODI-UHFFFAOYSA-N 0 0 470.616 4.295 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(SC)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000002182187 554080605 /nfs/dbraw/zinc/08/06/05/554080605.db2.gz WKMXYIKYILIQNF-PZHBDVNGSA-N 0 0 496.679 4.242 50 0 JIAARN Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000002197504 554089886 /nfs/dbraw/zinc/08/98/86/554089886.db2.gz ZRHLKICJDXMAIH-FXKZBUDASA-N 0 0 489.881 4.098 50 0 JIAARN COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)cc2)N2NC=NC2=N3)cc1 ZINC000002231586 554105666 /nfs/dbraw/zinc/10/56/66/554105666.db2.gz ZCPXEGOKYXYPQK-RPBOFIJWSA-N 0 0 466.497 4.286 50 0 JIAARN COc1ccc(CNC(=O)c2c(N)n(-c3ccc(OC)cc3)c3nc4ccccc4nc32)cc1 ZINC000002283090 554132043 /nfs/dbraw/zinc/13/20/43/554132043.db2.gz VHAFITWMODTWBN-UHFFFAOYSA-N 0 0 453.502 4.103 50 0 JIAARN COc1ccc(-n2c(N)c(C(=O)NCc3ccccc3OC)c3nc4ccccc4nc32)cc1 ZINC000002286302 554133129 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ZINC000008400778 554576160 /nfs/dbraw/zinc/57/61/60/554576160.db2.gz PWTPTPKQMKJPGH-HYARGMPZSA-N 0 0 459.477 4.245 50 0 JIAARN CCCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3)CC2=O)cc1 ZINC000008430284 554583411 /nfs/dbraw/zinc/58/34/11/554583411.db2.gz JCHNIOKEKPORET-INIZCTEOSA-N 0 0 489.366 4.081 50 0 JIAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cccc(F)c4)c(=O)n32)cc1 ZINC000008432519 554585850 /nfs/dbraw/zinc/58/58/50/554585850.db2.gz WVKXMFWEUXEKOH-VWLOTQADSA-N 0 0 499.567 4.022 50 0 JIAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(I)cc3C)n2C)c1 ZINC000008438212 554589207 /nfs/dbraw/zinc/58/92/07/554589207.db2.gz TWKYMXSCZWPJGX-UHFFFAOYSA-N 0 0 478.359 4.434 50 0 JIAARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2C=CC3[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)cc1Cl ZINC000008451718 554597607 /nfs/dbraw/zinc/59/76/07/554597607.db2.gz HPMFRSLVILBDQY-GVYGYWCKSA-N 0 0 495.362 4.337 50 0 JIAARN CCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc(F)cc2)cc1OC ZINC000008583222 554601085 /nfs/dbraw/zinc/60/10/85/554601085.db2.gz ISIWSTGFHOJDKG-RUZDIDTESA-N 0 0 454.542 4.478 50 0 JIAARN O=S(=O)(c1nnn2c3ccsc3c(NCc3ccccc3)nc12)c1ccc(Cl)cc1 ZINC000008589333 554602163 /nfs/dbraw/zinc/60/21/63/554602163.db2.gz FCGQQSPVNRYMRG-UHFFFAOYSA-N 0 0 455.952 4.437 50 0 JIAARN CN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3cccc(Cl)c3)nnn2c2ccsc21 ZINC000008589274 554602202 /nfs/dbraw/zinc/60/22/02/554602202.db2.gz AFEOLFPUJYURJM-UHFFFAOYSA-N 0 0 469.979 4.462 50 0 JIAARN Cc1cccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CC(C)(C)OC4)c1 ZINC000008590375 554602563 /nfs/dbraw/zinc/60/25/63/554602563.db2.gz ORIJBKQPFIIFHB-UHFFFAOYSA-N 0 0 452.580 4.127 50 0 JIAARN O=C(CN1C(=O)COc2ccccc21)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000008751153 554653213 /nfs/dbraw/zinc/65/32/13/554653213.db2.gz MNVPYVPGCWQVNE-UHFFFAOYSA-N 0 0 469.419 4.322 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CN(C)Cc1ccc2ccccc2c1 ZINC000008754801 554656349 /nfs/dbraw/zinc/65/63/49/554656349.db2.gz LZTPKNXBNIIBQK-UHFFFAOYSA-N 0 0 454.368 4.097 50 0 JIAARN CCCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1nnc(-c2cccs2)o1 ZINC000008777051 554674426 /nfs/dbraw/zinc/67/44/26/554674426.db2.gz OGQJJMNJYQRXDN-UHFFFAOYSA-N 0 0 467.595 4.321 50 0 JIAARN C[C@H](NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000008777503 554674878 /nfs/dbraw/zinc/67/48/78/554674878.db2.gz CJUIUJHXBVGDRW-INIZCTEOSA-N 0 0 459.531 4.028 50 0 JIAARN O=C(NCCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)c1ccc(Cl)cc1 ZINC000008781896 554679086 /nfs/dbraw/zinc/67/90/86/554679086.db2.gz NFLFKGBCQFYOHL-UHFFFAOYSA-N 0 0 498.807 4.382 50 0 JIAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C4N=NC(=S)N4C[C@@H]4CCCO4)c3N2)cc1 ZINC000008782514 554679607 /nfs/dbraw/zinc/67/96/07/554679607.db2.gz ZXVCMIYSNOQORB-BHYGNILZSA-N 0 0 480.516 4.278 50 0 JIAARN COc1ccc([C@H]2CN3C(=O)CN(Cc4ccccc4OC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008789168 554681470 /nfs/dbraw/zinc/68/14/70/554681470.db2.gz IKZLMYGMULQBHO-DJUQAAIZSA-N 0 0 495.579 4.417 50 0 biogenic JIAARN COc1cc2c(c(OC)c1OC)-c1ccc(NC(=O)c3cccs3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000008791827 554685132 /nfs/dbraw/zinc/68/51/32/554685132.db2.gz IRFCBDQWFPHHHU-SFHVURJKSA-N 0 0 494.569 4.177 50 0 biogenic JIAARN CCOc1cc(C(=O)Nc2nnc(SCC(=O)NC3CCCC3)s2)cc(OCC)c1OCC ZINC000008822648 554710776 /nfs/dbraw/zinc/71/07/76/554710776.db2.gz GOEVYUMHNPGQGH-UHFFFAOYSA-N 0 0 494.639 4.137 50 0 JIAARN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008824904 554712534 /nfs/dbraw/zinc/71/25/34/554712534.db2.gz JQEDJYGZYRMDLX-SFHVURJKSA-N 0 0 468.497 4.047 50 0 JIAARN COc1ccc(CNC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)cc1OC ZINC000008830982 554720738 /nfs/dbraw/zinc/72/07/38/554720738.db2.gz SLUWQUQPWOLKPT-UHFFFAOYSA-N 0 0 451.548 4.033 50 0 JIAARN COc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)c(OC)c1 ZINC000008831443 554722311 /nfs/dbraw/zinc/72/23/11/554722311.db2.gz MKEDWZWLXPWXPQ-UHFFFAOYSA-N 0 0 460.490 4.243 50 0 JIAARN COc1ccc(CNC(=O)c2c(N)n(CCc3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000008836005 554735635 /nfs/dbraw/zinc/73/56/35/554735635.db2.gz LEMGGPLKZYMKJV-UHFFFAOYSA-N 0 0 469.520 4.487 50 0 JIAARN COc1cc(Br)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc1OC ZINC000008843612 554740727 /nfs/dbraw/zinc/74/07/27/554740727.db2.gz PIHPAKLXRPKMQK-IBGZPJMESA-N 0 0 460.328 4.041 50 0 JIAARN CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000008845542 554743125 /nfs/dbraw/zinc/74/31/25/554743125.db2.gz LRSCAPXMIRQWQD-DEOSSOPVSA-N 0 0 451.523 4.161 50 0 JIAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(OC)c1OCc1ccccc1F ZINC000008846479 554745083 /nfs/dbraw/zinc/74/50/83/554745083.db2.gz WEPGYUOFVPFBSM-XKZIYDEJSA-N 0 0 462.502 4.192 50 0 JIAARN COc1cccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2)c1 ZINC000008850584 554747691 /nfs/dbraw/zinc/74/76/91/554747691.db2.gz DSPBWVCEPVTZRR-UHFFFAOYSA-N 0 0 470.576 4.022 50 0 JIAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(OC)c(OC)cc2C)ccc1OC ZINC000008851794 554748478 /nfs/dbraw/zinc/74/84/78/554748478.db2.gz IPYVHIVPVCIZTH-UHFFFAOYSA-N 0 0 498.601 4.484 50 0 JIAARN COc1ccc(NC(C)=O)cc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000008852211 554748954 /nfs/dbraw/zinc/74/89/54/554748954.db2.gz JKLWGZAYQZIOLD-UHFFFAOYSA-N 0 0 488.566 4.161 50 0 JIAARN Cc1sc2nc(C)nc(SCC(=O)N([C@H]3CCS(=O)(=O)C3)C3CCCCC3)c2c1C ZINC000008860783 554757287 /nfs/dbraw/zinc/75/72/87/554757287.db2.gz JWCRZFHLNMJERZ-KRWDZBQOSA-N 0 0 467.682 4.057 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1ccc2c(c1)CCC2 ZINC000008861342 554758289 /nfs/dbraw/zinc/75/82/89/554758289.db2.gz UNVDLFTXFXOROJ-UHFFFAOYSA-N 0 0 460.621 4.089 50 0 JIAARN COc1cccc(NC(=O)[C@H](Sc2nnc(-c3ccccc3OC)n2N)c2ccccc2)c1 ZINC000008861970 554759274 /nfs/dbraw/zinc/75/92/74/554759274.db2.gz NZMXNHBYFJSGMD-OAQYLSRUSA-N 0 0 461.547 4.148 50 0 JIAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c1C ZINC000008862267 554759909 /nfs/dbraw/zinc/75/99/09/554759909.db2.gz WBOIREINJWUMBX-SFHVURJKSA-N 0 0 456.543 4.386 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C(=O)c2ccncc2)c2ccc(OC(=O)c3ccncc3)cc2C)cc1 ZINC000008870385 554765174 /nfs/dbraw/zinc/76/51/74/554765174.db2.gz QGPRZFXDJQNOTB-UHFFFAOYSA-N 0 0 487.537 4.348 50 0 JIAARN CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4C)cc21 ZINC000008870417 554765429 /nfs/dbraw/zinc/76/54/29/554765429.db2.gz JWPMDVZDNYOJFR-UHFFFAOYSA-N 0 0 476.510 4.429 50 0 JIAARN CCCCSCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000008876210 554771519 /nfs/dbraw/zinc/77/15/19/554771519.db2.gz LEMZWRINSBRJLD-UHFFFAOYSA-N 0 0 461.093 4.464 50 0 JIAARN O=C(CSc1ncccc1C(=O)Nc1ccnn1C1CCCC1)Nc1ccc2c(c1)OCO2 ZINC000008879543 554775167 /nfs/dbraw/zinc/77/51/67/554775167.db2.gz PBSQRMUXUDOTIG-UHFFFAOYSA-N 0 0 465.535 4.105 50 0 JIAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)C[C@H](C)O1 ZINC000008881303 554776467 /nfs/dbraw/zinc/77/64/67/554776467.db2.gz UMAUMMHZJSTDRP-STQMWFEESA-N 0 0 476.904 4.409 50 0 JIAARN O=C(Nc1nc(-c2ccccn2)cs1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000008898518 554789080 /nfs/dbraw/zinc/78/90/80/554789080.db2.gz HLPDHVXUFABLTE-UHFFFAOYSA-N 0 0 478.599 4.398 50 0 JIAARN Cc1cccc(-c2nnc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)n2Cc2ccco2)c1 ZINC000008900801 554793586 /nfs/dbraw/zinc/79/35/86/554793586.db2.gz GTXMXSCQTJFDAU-UHFFFAOYSA-N 0 0 460.515 4.201 50 0 JIAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)NCCCN3CCCC3=O)cc12 ZINC000008901083 554794200 /nfs/dbraw/zinc/79/42/00/554794200.db2.gz XNBAJDCCFFUTKG-UHFFFAOYSA-N 0 0 450.486 4.157 50 0 JIAARN CCCN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1nnc(-c2cccs2)o1 ZINC000008901116 554794238 /nfs/dbraw/zinc/79/42/38/554794238.db2.gz RKULAOMBXVWBKF-UHFFFAOYSA-N 0 0 491.499 4.248 50 0 JIAARN CNC(=O)NC(=O)[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccccc1 ZINC000008901675 554795257 /nfs/dbraw/zinc/79/52/57/554795257.db2.gz IXDSLFYMYQLMJO-LJQANCHMSA-N 0 0 471.970 4.134 50 0 JIAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2S(=O)(=O)C(F)F)CSC3)c(C)c1 ZINC000008910076 554800317 /nfs/dbraw/zinc/80/03/17/554800317.db2.gz VWCKRXVJFWDUIW-UHFFFAOYSA-N 0 0 463.531 4.485 50 0 JIAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCCCC2)s1 ZINC000008912505 554802945 /nfs/dbraw/zinc/80/29/45/554802945.db2.gz JDFVNMLPMFWAKR-UHFFFAOYSA-N 0 0 463.046 4.193 50 0 JIAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCc2ccccc2)s1 ZINC000008912498 554802960 /nfs/dbraw/zinc/80/29/60/554802960.db2.gz FUDZILFTHGFILX-UHFFFAOYSA-N 0 0 464.634 4.123 50 0 JIAARN CCc1ccc2oc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCCC4)cc(=O)c2c1 ZINC000008917622 554813057 /nfs/dbraw/zinc/81/30/57/554813057.db2.gz TTWVKVOZJUVSDJ-INIZCTEOSA-N 0 0 480.586 4.457 50 0 JIAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NCCC(C)C)C(=O)[C@]31C ZINC000008918183 554814411 /nfs/dbraw/zinc/81/44/11/554814411.db2.gz ZONPKIDOFKYAQZ-MHZLTWQESA-N 0 0 474.561 4.193 50 0 biogenic JIAARN COc1ccc(N(Cc2cccs2)C(=O)CN2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000008918714 554815505 /nfs/dbraw/zinc/81/55/05/554815505.db2.gz WMEIXRBDHNGNJV-UHFFFAOYSA-N 0 0 452.576 4.365 50 0 JIAARN COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918832 554815772 /nfs/dbraw/zinc/81/57/72/554815772.db2.gz QCKKTHMRZGUGIX-UHFFFAOYSA-N 0 0 478.929 4.330 50 0 JIAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc(O)ccc2Br)N3)C1 ZINC000008920784 554817696 /nfs/dbraw/zinc/81/76/96/554817696.db2.gz KRDLOBBRKWHICZ-OAHLLOKOSA-N 0 0 452.330 4.160 50 0 JIAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1OC ZINC000008922031 554818893 /nfs/dbraw/zinc/81/88/93/554818893.db2.gz CWRCEPTWNNGJSN-RUZDIDTESA-N 0 0 451.906 4.365 50 0 JIAARN O=C(CCCC(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)Nc1ccc(F)cc1 ZINC000008922204 554819160 /nfs/dbraw/zinc/81/91/60/554819160.db2.gz ZELWIAFBNAXMFN-UHFFFAOYSA-N 0 0 453.422 4.173 50 0 JIAARN O=C(OCc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(C(c4ccccc4)c4ccccc4)C(=O)[C@H]13)O2 ZINC000008922360 554819170 /nfs/dbraw/zinc/81/91/70/554819170.db2.gz MZUNZSJTBGUKTH-XHHBKWMTSA-N 0 0 451.522 4.301 50 0 JIAARN CN(Cc1nc2ccccc2s1)C(=O)CSc1nnc(COc2ccccc2Cl)n1C ZINC000008936971 554830413 /nfs/dbraw/zinc/83/04/13/554830413.db2.gz HRJFIRDNNVFHNM-UHFFFAOYSA-N 0 0 474.011 4.408 50 0 JIAARN Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2ccc3c(c2)oc(=O)c2c3CCCC2)cc1 ZINC000008952206 554835585 /nfs/dbraw/zinc/83/55/85/554835585.db2.gz JAHPYGGQJJQIKG-UHFFFAOYSA-N 0 0 483.586 4.425 50 0 JIAARN CCCOc1ccc(CNC(=O)[C@@H](CC)n2nc(CC)n3c4cc(C)oc4cc3c2=O)cc1 ZINC000008965106 554839238 /nfs/dbraw/zinc/83/92/38/554839238.db2.gz GLKPUKUISPVLPR-LJQANCHMSA-N 0 0 450.539 4.169 50 0 JIAARN CC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965245 554839467 /nfs/dbraw/zinc/83/94/67/554839467.db2.gz FTTJWHPUDNGOLW-NRFANRHFSA-N 0 0 460.534 4.411 50 0 JIAARN COc1cc(OC)c(NC(=O)Cn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1Cl ZINC000008965160 554839475 /nfs/dbraw/zinc/83/94/75/554839475.db2.gz YMBZKPIHISTNIQ-UHFFFAOYSA-N 0 0 466.925 4.113 50 0 JIAARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)cc1 ZINC000008966255 554842351 /nfs/dbraw/zinc/84/23/51/554842351.db2.gz XAWJUHACBMIUOW-UHFFFAOYSA-N 0 0 487.581 4.416 50 0 JIAARN O=S(=O)(NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccc2c(c1)CCCC2 ZINC000008968229 554842933 /nfs/dbraw/zinc/84/29/33/554842933.db2.gz DZTOKNVGBZNRPA-OAQYLSRUSA-N 0 0 479.620 4.260 50 0 JIAARN O=S(=O)(NC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1cccc(Cl)c1 ZINC000008968224 554843029 /nfs/dbraw/zinc/84/30/29/554843029.db2.gz AGKVLTZILQLBCW-KRWDZBQOSA-N 0 0 459.973 4.034 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C2(Cc3ccccc3)CCCCC2)c1 ZINC000008981370 554847079 /nfs/dbraw/zinc/84/70/79/554847079.db2.gz UDBLZBBNACCEAF-UHFFFAOYSA-N 0 0 493.025 4.265 50 0 JIAARN C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000008986973 554849400 /nfs/dbraw/zinc/84/94/00/554849400.db2.gz JDUHHHUYKXZIQR-QGZVFWFLSA-N 0 0 452.601 4.255 50 0 JIAARN CC1(C)Cc2c(sc3c2c2nc(-c4ccco4)nn2c(=O)n3CC(=O)c2ccccc2)CO1 ZINC000008992660 554853285 /nfs/dbraw/zinc/85/32/85/554853285.db2.gz NQRQUVYBHJOKRG-UHFFFAOYSA-N 0 0 460.515 4.100 50 0 JIAARN Cn1c2cn(-c3cnc4ccccc4c3)c(-c3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000008993156 554853524 /nfs/dbraw/zinc/85/35/24/554853524.db2.gz UDTFHLPFQYGNMX-UHFFFAOYSA-N 0 0 461.319 4.006 50 0 JIAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000008993631 554853966 /nfs/dbraw/zinc/85/39/66/554853966.db2.gz VBVUAIHHEZHMDN-UHFFFAOYSA-N 0 0 458.489 4.327 50 0 JIAARN Cc1cccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2cccc3ccccc32)c4=O)c1 ZINC000009016099 554866352 /nfs/dbraw/zinc/86/63/52/554866352.db2.gz OHCBNIMPPZYYOT-IBGZPJMESA-N 0 0 465.557 4.194 50 0 JIAARN O=C(NCCn1ncc2c1ncn(Cc1cccc(F)c1)c2=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000009016724 554866419 /nfs/dbraw/zinc/86/64/19/554866419.db2.gz ISIPHKCGJFLYEV-UHFFFAOYSA-N 0 0 493.970 4.062 50 0 JIAARN CCOC(=O)c1cc(NC(=O)c2ccc(OC)c(OC)c2)c(=O)n2c3cc(Cl)ccc3oc12 ZINC000009029281 554867369 /nfs/dbraw/zinc/86/73/69/554867369.db2.gz MEOHUSADTORFLO-UHFFFAOYSA-N 0 0 470.865 4.145 50 0 JIAARN COc1ccccc1CNC(=O)COc1ccc2c(c1)occ(-c1ccc(OC)c(OC)c1)c2=O ZINC000009047717 554870762 /nfs/dbraw/zinc/87/07/62/554870762.db2.gz QCBALHDJOZIWPV-UHFFFAOYSA-N 0 0 475.497 4.181 50 0 biogenic JIAARN Cc1nc(-c2cccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)NC[C@@H]4CCCO4)c3)c2)cs1 ZINC000009048134 554870929 /nfs/dbraw/zinc/87/09/29/554870929.db2.gz UVEQALKSFXSFGV-SFHVURJKSA-N 0 0 492.022 4.482 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cnn(-c4ccccc4)c3)o2)c1 ZINC000009054146 554873557 /nfs/dbraw/zinc/87/35/57/554873557.db2.gz ORSBIZAIGHNUES-UHFFFAOYSA-N 0 0 469.592 4.245 50 0 JIAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000009056180 554874301 /nfs/dbraw/zinc/87/43/01/554874301.db2.gz VIDGMVBCRFIUAN-QFIPXVFZSA-N 0 0 480.615 4.484 50 0 JIAARN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009056492 554875019 /nfs/dbraw/zinc/87/50/19/554875019.db2.gz WIGLBEBJUHFOKM-UHFFFAOYSA-N 0 0 489.619 4.029 50 0 JIAARN O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000009058210 554877374 /nfs/dbraw/zinc/87/73/74/554877374.db2.gz IKRMQETTZUFVDL-UHFFFAOYSA-N 0 0 498.406 4.414 50 0 JIAARN O=C(CSc1nc2ccccc2n1-c1ccccc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009058213 554877412 /nfs/dbraw/zinc/87/74/12/554877412.db2.gz AJKOFBHBDVRHJV-OAQYLSRUSA-N 0 0 477.611 4.338 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@H]3c4ccccc4C=NN23)cc1 ZINC000009075883 554886918 /nfs/dbraw/zinc/88/69/18/554886918.db2.gz AGWUBVMQQFZIIK-UEQSERJNSA-N 0 0 485.927 4.110 50 0 JIAARN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(I)cn2)cc1 ZINC000009076612 554888151 /nfs/dbraw/zinc/88/81/51/554888151.db2.gz JQVGXGIGCYDKGE-BJMVGYQFSA-N 0 0 451.333 4.336 50 0 JIAARN Cc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccc(Cl)cc2Cl)c4=O)cc1 ZINC000009088159 554889915 /nfs/dbraw/zinc/88/99/15/554889915.db2.gz SROJPBNASJSYIM-HNNXBMFYSA-N 0 0 484.387 4.348 50 0 JIAARN C[C@@H](C(=O)OCC(=O)C(C)(C)C)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000009094735 554892190 /nfs/dbraw/zinc/89/21/90/554892190.db2.gz GZGLJFKREPCCPC-LURJTMIESA-N 0 0 455.121 4.443 50 0 JIAARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000009095014 554892620 /nfs/dbraw/zinc/89/26/20/554892620.db2.gz YFDMMSUYCMQPNJ-MRXNPFEDSA-N 0 0 456.951 4.497 50 0 JIAARN CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000009095564 554893278 /nfs/dbraw/zinc/89/32/78/554893278.db2.gz BMFJDODJHLHYBM-QFIPXVFZSA-N 0 0 473.548 4.128 50 0 JIAARN COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C ZINC000009095690 554893725 /nfs/dbraw/zinc/89/37/25/554893725.db2.gz NAOXFFKRIBBIFN-UHFFFAOYSA-N 0 0 474.966 4.153 50 0 JIAARN CC[C@H](Sc1nnc(CCNC(=O)c2ccc(Cl)cc2)n1C)C(=O)Nc1ccc(F)cc1F ZINC000009095886 554894197 /nfs/dbraw/zinc/89/41/97/554894197.db2.gz YLKFLWOXTDLGPW-SFHVURJKSA-N 0 0 493.967 4.229 50 0 JIAARN O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)N1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000009103671 554897058 /nfs/dbraw/zinc/89/70/58/554897058.db2.gz NMCIMHKEHOYSEU-GOSISDBHSA-N 0 0 461.543 4.129 50 0 JIAARN COc1ccc(OC)c(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccsc32)c1 ZINC000009116920 554905493 /nfs/dbraw/zinc/90/54/93/554905493.db2.gz MVBMQIABYCDKDF-UHFFFAOYSA-N 0 0 481.559 4.241 50 0 JIAARN O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1 ZINC000009117587 554907320 /nfs/dbraw/zinc/90/73/20/554907320.db2.gz CKCDWUCRNWAFJZ-QGZVFWFLSA-N 0 0 453.518 4.269 50 0 JIAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)NCc3ccccc3Cl)c3ccccc32)C[C@H](C)O1 ZINC000009118573 554908483 /nfs/dbraw/zinc/90/84/83/554908483.db2.gz GBWWTCIVLCZVOW-HDICACEKSA-N 0 0 486.037 4.339 50 0 JIAARN CCCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)c(N3CCN(CC)CC3)cc21 ZINC000009119096 554909471 /nfs/dbraw/zinc/90/94/71/554909471.db2.gz AGFQUNNYQIMSRE-UHFFFAOYSA-N 0 0 485.625 4.224 50 0 JIAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009119987 554912045 /nfs/dbraw/zinc/91/20/45/554912045.db2.gz MDXFUGDWTNRFAO-UHFFFAOYSA-N 0 0 476.316 4.113 50 0 JIAARN CC(=O)Nc1ccc(C(=O)OCC[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000009120039 554912332 /nfs/dbraw/zinc/91/23/32/554912332.db2.gz KXTFSHQCBNJISR-DEOSSOPVSA-N 0 0 466.559 4.220 50 0 JIAARN COCCn1c(SCc2nc(=O)c3c(C)c(C(C)=O)sc3[nH]2)nnc1-c1cccc(C)c1 ZINC000009120624 554914013 /nfs/dbraw/zinc/91/40/13/554914013.db2.gz XIRILRCQICQDBP-UHFFFAOYSA-N 0 0 469.592 4.001 50 0 JIAARN CCOc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCOC)ccc1O ZINC000009123998 554914636 /nfs/dbraw/zinc/91/46/36/554914636.db2.gz LIEACXYXNMYZQE-QFIPXVFZSA-N 0 0 457.914 4.040 50 0 JIAARN CCOc1cc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCOC)ccc1O ZINC000009123997 554914669 /nfs/dbraw/zinc/91/46/69/554914669.db2.gz LIEACXYXNMYZQE-JOCHJYFZSA-N 0 0 457.914 4.040 50 0 JIAARN COc1ccc(NC(=O)CN(C)C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 ZINC000009125198 554917385 /nfs/dbraw/zinc/91/73/85/554917385.db2.gz POBYHHZCXOWWBI-UHFFFAOYSA-N 0 0 466.538 4.313 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000009125625 554918180 /nfs/dbraw/zinc/91/81/80/554918180.db2.gz ZWKGXLAMUOVPOZ-UHFFFAOYSA-N 0 0 457.861 4.114 50 0 JIAARN C[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(Nc4ccccc4F)s3)c2C(N)=O)C1 ZINC000009126142 554919510 /nfs/dbraw/zinc/91/95/10/554919510.db2.gz KXBUYLIXCWQLEQ-SNVBAGLBSA-N 0 0 477.612 4.437 50 0 JIAARN CCc1cccc(CC)c1-n1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1cccnc1 ZINC000009126323 554920074 /nfs/dbraw/zinc/92/00/74/554920074.db2.gz QGGJVTKFGMLMLT-UHFFFAOYSA-N 0 0 466.611 4.171 50 0 JIAARN COc1ccc(-n2c(S[C@@H](C)C(=O)NC3CCCC3)nnc2-c2ccccc2)cc1OC ZINC000009128138 554924315 /nfs/dbraw/zinc/92/43/15/554924315.db2.gz BUZXGHGSIPHZKI-INIZCTEOSA-N 0 0 452.580 4.491 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000009128134 554924390 /nfs/dbraw/zinc/92/43/90/554924390.db2.gz JXEQUUFORMQQQP-SFHVURJKSA-N 0 0 491.975 4.452 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1 ZINC000009128269 554924802 /nfs/dbraw/zinc/92/48/02/554924802.db2.gz ZFHGCYBYLZNMCB-UHFFFAOYSA-N 0 0 491.569 4.491 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(F)ccc3F)nc2N)cc1 ZINC000009152108 554939806 /nfs/dbraw/zinc/93/98/06/554939806.db2.gz IKNHXRKTRQXHOQ-UHFFFAOYSA-N 0 0 478.546 4.024 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000009152774 554941450 /nfs/dbraw/zinc/94/14/50/554941450.db2.gz JPEJOZGDKIBOAS-STQMWFEESA-N 0 0 452.985 4.272 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000009152775 554941452 /nfs/dbraw/zinc/94/14/52/554941452.db2.gz JPEJOZGDKIBOAS-CHWSQXEVSA-N 0 0 452.985 4.272 50 0 JIAARN COc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc(NC(=O)COc4ccccc4)nn32)cc1 ZINC000009158103 554947593 /nfs/dbraw/zinc/94/75/93/554947593.db2.gz MADVODVKRNUPFX-PKTZIBPZSA-N 0 0 455.518 4.451 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1C ZINC000009169062 554952603 /nfs/dbraw/zinc/95/26/03/554952603.db2.gz ZSCOZRTWQOPBJY-UHFFFAOYSA-N 0 0 477.926 4.030 50 0 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ZINC000009349537 555116886 /nfs/dbraw/zinc/11/68/86/555116886.db2.gz LQGIVZMHQIAZRC-MRXNPFEDSA-N 0 0 454.968 4.494 50 0 JIAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000009352290 555117708 /nfs/dbraw/zinc/11/77/08/555117708.db2.gz ZXLHHSLKYYVYKJ-DEOSSOPVSA-N 0 0 483.615 4.297 50 0 JIAARN COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4N=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000009359911 555123359 /nfs/dbraw/zinc/12/33/59/555123359.db2.gz UUBOYYYPLWFROF-KIHHCIJBSA-N 0 0 485.927 4.110 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 ZINC000009364466 555124811 /nfs/dbraw/zinc/12/48/11/555124811.db2.gz REQQOPJLTDLHCW-UHFFFAOYSA-N 0 0 456.549 4.006 50 0 JIAARN COc1ccc(CC(=O)Nc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)s2)cc1 ZINC000009365559 555126244 /nfs/dbraw/zinc/12/62/44/555126244.db2.gz RJILHRMMCHWBCS-UHFFFAOYSA-N 0 0 482.509 4.478 50 0 JIAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccc5c(c4)OCO5)cs3)cc2)C1 ZINC000009367960 555130731 /nfs/dbraw/zinc/13/07/31/555130731.db2.gz DGBCQTXJVLGDDG-HOTGVXAUSA-N 0 0 499.614 4.458 50 0 JIAARN Cn1c2ccccc2c(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c1-c1ccccc1 ZINC000009368417 555131409 /nfs/dbraw/zinc/13/14/09/555131409.db2.gz GOOLWUBZNUQBPF-NDEPHWFRSA-N 0 0 481.508 4.224 50 0 JIAARN O=C(CSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1)N1CCc2ccccc21 ZINC000009369125 555132776 /nfs/dbraw/zinc/13/27/76/555132776.db2.gz SHXIBRYFHAWAOB-UHFFFAOYSA-N 0 0 464.494 4.491 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc3c(c2)occ(Oc2ccc(Cl)cc2)c3=O)C1 ZINC000009373510 555135354 /nfs/dbraw/zinc/13/53/54/555135354.db2.gz GQEBNPHOQFOURU-MRXNPFEDSA-N 0 0 485.920 4.419 50 0 JIAARN Cc1cc2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)n2c2ccccc12 ZINC000009373680 555135616 /nfs/dbraw/zinc/13/56/16/555135616.db2.gz QDRBOCNRSYJPQY-UHFFFAOYSA-N 0 0 495.630 4.096 50 0 JIAARN CC(=O)c1ccc(OCCCC(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c32)cc1 ZINC000009376275 555136862 /nfs/dbraw/zinc/13/68/62/555136862.db2.gz 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CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)c1ccc(OCC)cc1 ZINC000009381668 555145279 /nfs/dbraw/zinc/14/52/79/555145279.db2.gz ASWBAIQVGSPYGS-UHFFFAOYSA-N 0 0 493.541 4.284 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)c2cccs2)cc1OC ZINC000009382119 555146424 /nfs/dbraw/zinc/14/64/24/555146424.db2.gz XJUUSNKAQPBQAB-IBGZPJMESA-N 0 0 485.587 4.128 50 0 JIAARN CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccc(OC)c3)[C@H](c3ccccc3)C2)cc1 ZINC000009382167 555146540 /nfs/dbraw/zinc/14/65/40/555146540.db2.gz NGJKNFJQVBYTQY-DEOSSOPVSA-N 0 0 463.559 4.448 50 0 JIAARN CCC1(CC)NC(=O)N(CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)C1=O ZINC000009386142 555148913 /nfs/dbraw/zinc/14/89/13/555148913.db2.gz LTGYZIFOKHZOQE-GOSISDBHSA-N 0 0 466.969 4.180 50 0 JIAARN COc1ccc(-c2nc(NC(=O)CCNS(=O)(=O)c3ccccc3C(F)(F)F)sc2C)cc1 ZINC000009386432 555149100 /nfs/dbraw/zinc/14/91/00/555149100.db2.gz LDSQZMRJLKDJGJ-UHFFFAOYSA-N 0 0 499.536 4.453 50 0 JIAARN C[C@H](c1ccccc1)n1c(=O)c2cc(Br)ccc2nc1SCC(=O)NC1CC1 ZINC000009390169 555150762 /nfs/dbraw/zinc/15/07/62/555150762.db2.gz ZWOBCBJVSXQHJP-CYBMUJFWSA-N 0 0 458.381 4.139 50 0 JIAARN O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)C1(c2ccc(Cl)cc2)CCCC1 ZINC000009391520 555154777 /nfs/dbraw/zinc/15/47/77/555154777.db2.gz FXYTTZJYFCXGNC-UHFFFAOYSA-N 0 0 455.967 4.405 50 0 JIAARN COc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)C2CCCCC2)cc1 ZINC000009392194 555156687 /nfs/dbraw/zinc/15/66/87/555156687.db2.gz ROVHOULWRAFIDV-QHCPKHFHSA-N 0 0 455.580 4.325 50 0 JIAARN C[C@H](c1nnc(SCC(=O)c2ccc(O)cc2O)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000009396218 555158484 /nfs/dbraw/zinc/15/84/84/555158484.db2.gz NPPRVZCQJXYZFL-OAHLLOKOSA-N 0 0 456.543 4.340 50 0 JIAARN C[C@@H](c1nnc(SCC(=O)c2ccc(O)cc2O)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000009396217 555158583 /nfs/dbraw/zinc/15/85/83/555158583.db2.gz NPPRVZCQJXYZFL-HNNXBMFYSA-N 0 0 456.543 4.340 50 0 JIAARN CCCn1c(SCC(=O)N(C)Cc2ccc(OC)c(OC)c2)nc2cc(Cl)ccc2c1=O ZINC000009398947 555160494 /nfs/dbraw/zinc/16/04/94/555160494.db2.gz 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50 0 JIAARN CC(C)c1ccc(N(CC(=O)Nc2cccc(Cl)c2)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009408357 555170745 /nfs/dbraw/zinc/17/07/45/555170745.db2.gz VDKZVYOSMCPQTB-VQTJNVASSA-N 0 0 478.039 4.177 50 0 JIAARN CCOc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)ccc1O ZINC000009409111 555173020 /nfs/dbraw/zinc/17/30/20/555173020.db2.gz QPOBKGPHWPUBML-XMMPIXPASA-N 0 0 451.523 4.247 50 0 JIAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000009412554 555179378 /nfs/dbraw/zinc/17/93/78/555179378.db2.gz MCLXAZIGWYMGKJ-SFHVURJKSA-N 0 0 458.515 4.081 50 0 JIAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@](=O)C3)cc1OCC ZINC000009413305 555180203 /nfs/dbraw/zinc/18/02/03/555180203.db2.gz VWKLRTXRPMOPCJ-HKBQPEDESA-N 0 0 459.955 4.338 50 0 JIAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2)c1ccccc1I ZINC000009413575 555180382 /nfs/dbraw/zinc/18/03/82/555180382.db2.gz CWJZPLCFAXQLDK-SANMLTNESA-N 0 0 497.745 4.145 50 0 JIAARN CCOc1cc(C(=O)Nc2c3c(nn2-c2ccccc2C)C[S@@](=O)C3)cc(OCC)c1OCC ZINC000009414040 555180938 /nfs/dbraw/zinc/18/09/38/555180938.db2.gz CAABWHHRTGPMHS-UUWRZZSWSA-N 0 0 483.590 4.391 50 0 JIAARN CC(C)n1ncc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cnc21 ZINC000009417604 555184984 /nfs/dbraw/zinc/18/49/84/555184984.db2.gz ILJLBCVEZSWRAX-UHFFFAOYSA-N 0 0 477.590 4.205 50 0 JIAARN CN1C(=O)C(=C2C[C@@H](c3ccc(Br)cc3)Sc3ccccc3N2)C(=O)NC1=S ZINC000009420415 555186891 /nfs/dbraw/zinc/18/68/91/555186891.db2.gz KZIOHMZRDRMDBA-GDGUIRGDSA-N 0 0 474.405 4.225 50 0 JIAARN COc1ccc(-c2coc3cc(OCC(=O)Nc4ccc5c(c4)OCCO5)ccc3c2=O)cc1OC ZINC000009420932 555187025 /nfs/dbraw/zinc/18/70/25/555187025.db2.gz YAFAZWPPEKSEAC-UHFFFAOYSA-N 0 0 489.480 4.266 50 0 biogenic JIAARN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009426990 555191652 /nfs/dbraw/zinc/19/16/52/555191652.db2.gz NKCNQDDGRRZAMM-INIZCTEOSA-N 0 0 474.966 4.233 50 0 JIAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1ccc2c(c1)CCC(=O)N2 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O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009451362 555223889 /nfs/dbraw/zinc/22/38/89/555223889.db2.gz ABMMHAJLZNYBMI-XMMPIXPASA-N 0 0 498.645 4.319 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000009455057 555225761 /nfs/dbraw/zinc/22/57/61/555225761.db2.gz CBRHZEKTPMELAZ-HNNXBMFYSA-N 0 0 451.386 4.033 50 0 JIAARN CCOc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000009457646 555226728 /nfs/dbraw/zinc/22/67/28/555226728.db2.gz VTHLXBAFJPBDOC-UHFFFAOYSA-N 0 0 494.613 4.267 50 0 JIAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1csc(-c2cccc(OC)c2)n1 ZINC000009461330 555228881 /nfs/dbraw/zinc/22/88/81/555228881.db2.gz LDYIVXDXKOEEEM-UHFFFAOYSA-N 0 0 460.606 4.128 50 0 JIAARN CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(Cl)cc4F)cc3C2=O)cc1 ZINC000009463401 555233607 /nfs/dbraw/zinc/23/36/07/555233607.db2.gz PWFGWFDIQPAQJK-UHFFFAOYSA-N 0 0 451.841 4.490 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc(-c3ccccc3)cs2)c1 ZINC000009463462 555233636 /nfs/dbraw/zinc/23/36/36/555233636.db2.gz MRRKTSRGIDETJK-UHFFFAOYSA-N 0 0 468.025 4.445 50 0 JIAARN Cc1cccc(-n2c(SCC(=O)NC(=O)NCc3ccccc3)nc3ccccc3c2=O)c1C ZINC000009464634 555237149 /nfs/dbraw/zinc/23/71/49/555237149.db2.gz RBGBKTJSSSNIIT-UHFFFAOYSA-N 0 0 472.570 4.121 50 0 JIAARN Nn1c(SCc2nnc(-c3ccc(Br)cc3)o2)nnc1-c1cccc(Cl)c1 ZINC000009465871 555241119 /nfs/dbraw/zinc/24/11/19/555241119.db2.gz ZMAFINYDLZQCSX-UHFFFAOYSA-N 0 0 463.748 4.417 50 0 JIAARN O=C(CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)N1CCN(c2ncccn2)CC1 ZINC000009467191 555243771 /nfs/dbraw/zinc/24/37/71/555243771.db2.gz RHJDLPOTZHFPHD-UHFFFAOYSA-N 0 0 468.633 4.098 50 0 JIAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009467596 555244989 /nfs/dbraw/zinc/24/49/89/555244989.db2.gz ONBBXZVBYOTDFV-OAHLLOKOSA-N 0 0 488.949 4.318 50 0 JIAARN CCn1c(COC(=O)C2c3ccccc3Oc3ccccc32)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009467987 555246490 /nfs/dbraw/zinc/24/64/90/555246490.db2.gz UVPUWHVTRXAFNH-UHFFFAOYSA-N 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ZINC000009479556 555260467 /nfs/dbraw/zinc/26/04/67/555260467.db2.gz ZPKLVOLKQHPBFL-UHFFFAOYSA-N 0 0 468.510 4.474 50 0 JIAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1=O ZINC000009481683 555261322 /nfs/dbraw/zinc/26/13/22/555261322.db2.gz ZLIGPNCRQSCZCN-WIOPSUGQSA-N 0 0 479.627 4.227 50 0 JIAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3o2)[C@@H]1C ZINC000009482934 555261710 /nfs/dbraw/zinc/26/17/10/555261710.db2.gz QTDMETSYTYSLJN-NUJGCVRESA-N 0 0 465.641 4.035 50 0 JIAARN CCCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1ccc(OC)cc1 ZINC000009483322 555262064 /nfs/dbraw/zinc/26/20/64/555262064.db2.gz SGIRQBWUKZNMBW-UHFFFAOYSA-N 0 0 454.552 4.271 50 0 JIAARN CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009488491 555263649 /nfs/dbraw/zinc/26/36/49/555263649.db2.gz YEVRMYRPHFUQOE-OAQYLSRUSA-N 0 0 450.422 4.386 50 0 JIAARN Cc1ccc2[nH]c(SCC(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3Cl)nc2c1 ZINC000009491624 555269666 /nfs/dbraw/zinc/26/96/66/555269666.db2.gz 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JIAARN CCCCCCNC(=O)c1cnc2ccc(S(=O)(=O)N3CCCC[C@H]3c3cccnc3)cc2c1O ZINC000009495507 555279990 /nfs/dbraw/zinc/27/99/90/555279990.db2.gz PYRLFXNDQXXZCG-DEOSSOPVSA-N 0 0 496.633 4.149 50 0 biogenic JIAARN O=C(Cc1sc(N2CCCC2)nc1O)Nc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000009499428 555283993 /nfs/dbraw/zinc/28/39/93/555283993.db2.gz NRRCSGQLPDSMPZ-QHCPKHFHSA-N 0 0 488.613 4.039 50 0 JIAARN Cc1cc(CSc2ccccc2C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)no1 ZINC000009501285 555285712 /nfs/dbraw/zinc/28/57/12/555285712.db2.gz IZSKSEUWTJXMGD-UHFFFAOYSA-N 0 0 498.051 4.137 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc3c(c(Cl)c2)OCO3)cc1 ZINC000009502187 555286901 /nfs/dbraw/zinc/28/69/01/555286901.db2.gz KESNCTXGVWROJV-UHFFFAOYSA-N 0 0 458.923 4.142 50 0 JIAARN O=C(c1cc2ccc(F)cc2s1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000009502453 555287067 /nfs/dbraw/zinc/28/70/67/555287067.db2.gz HHEFLCNTWXRYTP-UHFFFAOYSA-N 0 0 468.941 4.202 50 0 JIAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000009502600 555287325 /nfs/dbraw/zinc/28/73/25/555287325.db2.gz CCCSKKIZQHUQIT-VWLOTQADSA-N 0 0 489.620 4.368 50 0 JIAARN O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1O ZINC000009503282 555288184 /nfs/dbraw/zinc/28/81/84/555288184.db2.gz SQANSVNAKAGFIT-UHFFFAOYSA-N 0 0 480.329 4.077 50 0 JIAARN COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)c1 ZINC000009507415 555291817 /nfs/dbraw/zinc/29/18/17/555291817.db2.gz CPGKLRRRWDNPLY-UHFFFAOYSA-N 0 0 487.603 4.254 50 0 JIAARN Cc1occc1-c1nnc(SCC(=O)NC(=O)NCc2ccccc2)n1Cc1ccccc1 ZINC000009507512 555292261 /nfs/dbraw/zinc/29/22/61/555292261.db2.gz GMLSOQBBSFRHCK-UHFFFAOYSA-N 0 0 461.547 4.013 50 0 JIAARN CCC(=O)c1cc(Br)ccc1OCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000009507640 555292409 /nfs/dbraw/zinc/29/24/09/555292409.db2.gz CDYXZUTZLIPIGL-UHFFFAOYSA-N 0 0 452.301 4.085 50 0 JIAARN COc1ccccc1N(CC(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1 ZINC000009508261 555294443 /nfs/dbraw/zinc/29/44/43/555294443.db2.gz VIKJOQIPFOAEAB-UHFFFAOYSA-N 0 0 476.957 4.042 50 0 JIAARN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCSc1ccccc1 ZINC000009509027 555296282 /nfs/dbraw/zinc/29/62/82/555296282.db2.gz IMQNCRKZQOSALP-UHFFFAOYSA-N 0 0 478.636 4.006 50 0 JIAARN O=C(COC(=O)c1cc(Cl)cc(Cl)c1I)NC1CCCCC1 ZINC000009509884 555298301 /nfs/dbraw/zinc/29/83/01/555298301.db2.gz KOFZAJVVFHOXPK-UHFFFAOYSA-N 0 0 456.107 4.204 50 0 JIAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009510120 555299208 /nfs/dbraw/zinc/29/92/08/555299208.db2.gz YJEVJWPRRQPRSF-UHFFFAOYSA-N 0 0 493.379 4.085 50 0 JIAARN Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000009510961 555300386 /nfs/dbraw/zinc/30/03/86/555300386.db2.gz KTOKAWAMJWNMKW-NTKDMRAZSA-N 0 0 469.541 4.126 50 0 JIAARN COc1cc(/C=C/C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)ccc1OCc1c(C)noc1C ZINC000009516422 555308149 /nfs/dbraw/zinc/30/81/49/555308149.db2.gz BFRIADTZUKDQQK-MQVOTRGWSA-N 0 0 476.529 4.455 50 0 JIAARN O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009516704 555308764 /nfs/dbraw/zinc/30/87/64/555308764.db2.gz VXAFNNLWCCFORY-LJQANCHMSA-N 0 0 469.632 4.491 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000009517677 555310487 /nfs/dbraw/zinc/31/04/87/555310487.db2.gz XMAQYOBBSZGASX-UHFFFAOYSA-N 0 0 467.938 4.376 50 0 JIAARN CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc(Br)cc3)[nH]c2=O)cc1 ZINC000009518182 555312541 /nfs/dbraw/zinc/31/25/41/555312541.db2.gz ZSWDIHNRBXZDOL-UHFFFAOYSA-N 0 0 475.368 4.058 50 0 JIAARN O=C(Nc1ccc2c(c1)OCO2)c1oc2ccccc2c1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000009518500 555313586 /nfs/dbraw/zinc/31/35/86/555313586.db2.gz JAPSXBKAUYPSGI-INIZCTEOSA-N 0 0 483.480 4.405 50 0 JIAARN O=C(CSc1nnc(CNC(=O)c2cccc(C(F)(F)F)c2)o1)N1CCCc2ccccc21 ZINC000009518597 555313856 /nfs/dbraw/zinc/31/38/56/555313856.db2.gz GLMBQGSNPWXJQQ-UHFFFAOYSA-N 0 0 476.480 4.090 50 0 JIAARN O=C(NCc1ccc(Cl)cc1)C(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 ZINC000009519465 555316383 /nfs/dbraw/zinc/31/63/83/555316383.db2.gz JKTKKVWFCWIUGF-UHFFFAOYSA-N 0 0 451.954 4.196 50 0 JIAARN COc1ccc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1S(=O)(=O)NC1CC1 ZINC000009532622 555327666 /nfs/dbraw/zinc/32/76/66/555327666.db2.gz VAVOBFDLRQKIPN-KRWDZBQOSA-N 0 0 450.560 4.294 50 0 JIAARN Nn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000009540932 555334146 /nfs/dbraw/zinc/33/41/46/555334146.db2.gz YOSXFWGUFXFRDE-UHFFFAOYSA-N 0 0 478.340 4.226 50 0 JIAARN O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1ccc(F)c(Cl)c1 ZINC000009632929 555335023 /nfs/dbraw/zinc/33/50/23/555335023.db2.gz NCSHPVLEEJHTGO-UHFFFAOYSA-N 0 0 452.825 4.075 50 0 JIAARN Cc1ccc(Cn2nccc2NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 ZINC000009544312 555335327 /nfs/dbraw/zinc/33/53/27/555335327.db2.gz LAYXUEQAXOEGIB-UHFFFAOYSA-N 0 0 460.559 4.317 50 0 JIAARN Cc1cc(CSc2ncccc2C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)no1 ZINC000009544360 555335497 /nfs/dbraw/zinc/33/54/97/555335497.db2.gz 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CC[C@@H](C)N(C(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009544925 555337150 /nfs/dbraw/zinc/33/71/50/555337150.db2.gz DWOGLFMRQIZKAQ-KNQAVFIVSA-N 0 0 498.674 4.149 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc(C(C)C)nc4ccccc43)CC2)cc1 ZINC000009544997 555337321 /nfs/dbraw/zinc/33/73/21/555337321.db2.gz FYKNOGQATJPOKD-UHFFFAOYSA-N 0 0 451.592 4.203 50 0 JIAARN CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc2ccccc2[nH]1 ZINC000009545519 555338574 /nfs/dbraw/zinc/33/85/74/555338574.db2.gz ZVTXGVBDHCYOTR-ZEQRLZLVSA-N 0 0 466.541 4.284 50 0 JIAARN Cc1sc2ncnc(OCC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c2c1C ZINC000009634810 555340767 /nfs/dbraw/zinc/34/07/67/555340767.db2.gz DREGJGBECHVMLA-UHFFFAOYSA-N 0 0 466.485 4.181 50 0 JIAARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccncc5)nc4c32)cc1OC ZINC000013142115 555340981 /nfs/dbraw/zinc/34/09/81/555340981.db2.gz VUVUOCNJIOZOLH-OAQYLSRUSA-N 0 0 453.458 4.195 50 0 JIAARN COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)Nc3cccc(C)c3)CC2=O)c(OC)c1 ZINC000009635219 555341900 /nfs/dbraw/zinc/34/19/00/555341900.db2.gz PMMHIJCTKQOSCV-GOSISDBHSA-N 0 0 473.529 4.256 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000009635702 555343165 /nfs/dbraw/zinc/34/31/65/555343165.db2.gz IUNNRLAYQMDTAN-UHFFFAOYSA-N 0 0 491.034 4.452 50 0 JIAARN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccccc3OC)c2)cc1 ZINC000013145804 555343566 /nfs/dbraw/zinc/34/35/66/555343566.db2.gz RWIKIOVSRAYAAQ-UHFFFAOYSA-N 0 0 468.575 4.157 50 0 JIAARN O=C(Nc1ccc(Br)cc1F)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000009548784 555345717 /nfs/dbraw/zinc/34/57/17/555345717.db2.gz ZFHDSOXXPUELEA-UHFFFAOYSA-N 0 0 461.740 4.278 50 0 JIAARN COc1ccccc1-c1noc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000009548881 555345955 /nfs/dbraw/zinc/34/59/55/555345955.db2.gz NRFIUZUTCSGSBX-UHFFFAOYSA-N 0 0 493.541 4.220 50 0 JIAARN O=C(Nc1nc2c(s1)CCCC2)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009549681 555347991 /nfs/dbraw/zinc/34/79/91/555347991.db2.gz ZDGPBIDZRIWHKJ-UHFFFAOYSA-N 0 0 455.605 4.215 50 0 JIAARN Nc1c(N(CCC2=CCCCC2)C(=O)C=Cc2cccs2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000013148321 555348732 /nfs/dbraw/zinc/34/87/32/555348732.db2.gz PGMADFCLOXVEOH-BUHFOSPRSA-N 0 0 476.602 4.166 50 0 JIAARN COc1ccc(Cn2nnnc2SCc2csc(N(C(C)=O)c3ccccc3)n2)cc1 ZINC000009640848 555351491 /nfs/dbraw/zinc/35/14/91/555351491.db2.gz FXMBOBKWTQYZTP-UHFFFAOYSA-N 0 0 452.565 4.163 50 0 JIAARN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)NCC34CC5CC(CC(C5)C3)C4)n2N)c1 ZINC000013149593 555352914 /nfs/dbraw/zinc/35/29/14/555352914.db2.gz UMMADXTWTYOGPZ-UHFFFAOYSA-N 0 0 483.682 4.427 50 0 JIAARN COc1cc([C@H]2Cc3[nH]c(C(=O)OCCOc4ccccc4)c(C)c3C(=O)C2)cc(OC)c1OC ZINC000009559805 555355306 /nfs/dbraw/zinc/35/53/06/555355306.db2.gz FDEZCCRQRMPFOB-KRWDZBQOSA-N 0 0 479.529 4.497 50 0 JIAARN O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000009643626 555356473 /nfs/dbraw/zinc/35/64/73/555356473.db2.gz OWCFVWPGLXVKAC-UHFFFAOYSA-N 0 0 474.536 4.367 50 0 JIAARN CC(=O)c1cc(C)ccc1OC(=O)CCN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013153025 555359463 /nfs/dbraw/zinc/35/94/63/555359463.db2.gz GSLAHJGYYGNFGB-SALAOISXSA-N 0 0 479.532 4.385 50 0 JIAARN COC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000009646227 555359532 /nfs/dbraw/zinc/35/95/32/555359532.db2.gz HXGUANWSEMZOGC-UHFFFAOYSA-N 0 0 464.952 4.022 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)OCc2nnc(-c3ccccc3)o2)c1 ZINC000009561862 555360911 /nfs/dbraw/zinc/36/09/11/555360911.db2.gz ORBLJIRSBPBTCR-UHFFFAOYSA-N 0 0 498.605 4.114 50 0 JIAARN CCOc1ccc(N2CCn3c(SCC(=O)N4CCC(Cc5ccccc5)CC4)nnc32)cc1 ZINC000009651525 555362589 /nfs/dbraw/zinc/36/25/89/555362589.db2.gz QKOUBCDOEYYFBV-UHFFFAOYSA-N 0 0 477.634 4.402 50 0 JIAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 ZINC000009658024 555362856 /nfs/dbraw/zinc/36/28/56/555362856.db2.gz XXVLABJKTOKOBO-UHFFFAOYSA-N 0 0 456.593 4.411 50 0 JIAARN CN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC000013164252 555364176 /nfs/dbraw/zinc/36/41/76/555364176.db2.gz RLZJBQGMZDRWAA-KRWDZBQOSA-N 0 0 491.038 4.096 50 0 JIAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[nH]c(CSc3nnc(C4CC4)n3C)nc(=O)c12 ZINC000013164778 555366400 /nfs/dbraw/zinc/36/64/00/555366400.db2.gz AYXSBBUZHHQWKR-UHFFFAOYSA-N 0 0 480.619 4.460 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)c2cc(Br)cc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 ZINC000009662710 555369037 /nfs/dbraw/zinc/36/90/37/555369037.db2.gz MBFGFWSAGJBBQP-UHFFFAOYSA-N 0 0 494.411 4.080 50 0 JIAARN CCN(CC)c1cc(C)nc(Nc2ccc(NS(=O)(=O)c3ccc(OC)c(C)c3)cc2)n1 ZINC000009572554 555369780 /nfs/dbraw/zinc/36/97/80/555369780.db2.gz BFPSOTLTTDOQOU-UHFFFAOYSA-N 0 0 455.584 4.493 50 0 JIAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Nc1ccc(F)c(Cl)c1 ZINC000009663499 555371034 /nfs/dbraw/zinc/37/10/34/555371034.db2.gz QXBMCORUFSCLKZ-UHFFFAOYSA-N 0 0 489.352 4.103 50 0 JIAARN Cn1c2cn(CCc3c[nH]c4ccccc34)c(-c3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000009575245 555371402 /nfs/dbraw/zinc/37/14/02/555371402.db2.gz IHGVMCPMGBIRLW-UHFFFAOYSA-N 0 0 477.362 4.192 50 0 JIAARN C[C@@H](NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1ccc(-n2cncn2)cc1 ZINC000009575450 555371736 /nfs/dbraw/zinc/37/17/36/555371736.db2.gz DZODPSXFOWQAKE-GOSISDBHSA-N 0 0 459.575 4.323 50 0 JIAARN Cc1occc1-c1nnc(SCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)n1C ZINC000009576151 555372811 /nfs/dbraw/zinc/37/28/11/555372811.db2.gz RQCDJETUKSQPQG-OAHLLOKOSA-N 0 0 453.593 4.492 50 0 JIAARN Cc1ccc2c(CN3C(=O)N[C@](C)(c4cccc(Br)c4)C3=O)cc(=O)oc2c1C ZINC000009664578 555373932 /nfs/dbraw/zinc/37/39/32/555373932.db2.gz YUBCYXAHDQYKPN-JOCHJYFZSA-N 0 0 455.308 4.140 50 0 JIAARN COc1ccccc1-c1noc(CSc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3o2)n1 ZINC000009664561 555373958 /nfs/dbraw/zinc/37/39/58/555373958.db2.gz NWVPAWCCKDWEES-UHFFFAOYSA-N 0 0 486.575 4.353 50 0 JIAARN COc1ccc(-c2coc3cc(OCC(=O)Nc4ccc5c(c4)OCO5)ccc3c2=O)cc1OC ZINC000009577185 555375364 /nfs/dbraw/zinc/37/53/64/555375364.db2.gz BIAQBGUOCDUYRG-UHFFFAOYSA-N 0 0 475.453 4.223 50 0 biogenic JIAARN CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C(N)=O)cc3)c2C1 ZINC000009665371 555376121 /nfs/dbraw/zinc/37/61/21/555376121.db2.gz FGARBRQPPFQQQC-KRWDZBQOSA-N 0 0 459.546 4.280 50 0 JIAARN Cc1cc(I)ccc1NC(=O)COC(=O)CCc1c[nH]c2ccccc12 ZINC000009666020 555377604 /nfs/dbraw/zinc/37/76/04/555377604.db2.gz RVUBOOCCWQZLPW-UHFFFAOYSA-N 0 0 462.287 4.195 50 0 JIAARN CCOc1cc(C(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc(OCC)c1OCC ZINC000009666118 555377794 /nfs/dbraw/zinc/37/77/94/555377794.db2.gz FHQHXAVRYAUHNR-UHFFFAOYSA-N 0 0 481.549 4.481 50 0 JIAARN Cc1nc(NC(=O)CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)c(Cl)cc1Cl ZINC000009578700 555380802 /nfs/dbraw/zinc/38/08/02/555380802.db2.gz DBXXBODWMUJOKM-UHFFFAOYSA-N 0 0 479.271 4.302 50 0 JIAARN COCCCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 ZINC000009669494 555384028 /nfs/dbraw/zinc/38/40/28/555384028.db2.gz BKFNXUSVTJSYQK-CQSZACIVSA-N 0 0 474.970 4.483 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N2CCOc3ccc(CN(C(C)=O)c4ccc(C)cc4)cc3C2)cc1 ZINC000013360241 555385738 /nfs/dbraw/zinc/38/57/38/555385738.db2.gz XOPSINAOJZRLRW-UHFFFAOYSA-N 0 0 492.597 4.334 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)Cn1c(C)nc3scc(-c4cccs4)c3c1=O)CC2 ZINC000009670248 555386570 /nfs/dbraw/zinc/38/65/70/555386570.db2.gz PLRFPQFXYRBCLV-UHFFFAOYSA-N 0 0 481.599 4.097 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009670553 555387524 /nfs/dbraw/zinc/38/75/24/555387524.db2.gz LWBBNUAEEPGXGJ-UHFFFAOYSA-N 0 0 475.574 4.187 50 0 JIAARN CC(C)Cc1nn2c(nc(COc3ccc(NC(=O)c4ccccc4F)cc3)cc2=O)s1 ZINC000013368233 555390155 /nfs/dbraw/zinc/39/01/55/555390155.db2.gz ALFCVKVAUMCKCK-UHFFFAOYSA-N 0 0 452.511 4.320 50 0 JIAARN COc1ccccc1C(=O)Nc1ccc(OCc2cc(=O)n3nc(CC(C)C)sc3n2)cc1 ZINC000013368242 555390170 /nfs/dbraw/zinc/39/01/70/555390170.db2.gz WDKAIWAJMHYJIK-UHFFFAOYSA-N 0 0 464.547 4.189 50 0 JIAARN O=C(Nc1cccc(OCc2cc(=O)n3c(n2)sc2c3CCCC2)c1)c1ccc2c(c1)OCO2 ZINC000013368428 555390444 /nfs/dbraw/zinc/39/04/44/555390444.db2.gz UHKBQZSGQDCTTM-UHFFFAOYSA-N 0 0 475.526 4.195 50 0 JIAARN CCc1nn2c(nc(COC(=O)c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2=O)s1 ZINC000013370354 555391715 /nfs/dbraw/zinc/39/17/15/555391715.db2.gz SHWJQXXEZZOXDH-UHFFFAOYSA-N 0 0 492.601 4.225 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCc1ccc(C(C)(C)C)cc1 ZINC000009671995 555392895 /nfs/dbraw/zinc/39/28/95/555392895.db2.gz IMYBMELDHGJHQZ-QZEKMECESA-N 0 0 450.988 4.259 50 0 JIAARN C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000009584768 555393661 /nfs/dbraw/zinc/39/36/61/555393661.db2.gz PFTJWMHMECUPGN-GAJHUEQPSA-N 0 0 485.005 4.482 50 0 JIAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(-c3cc(Cl)ccc3Cl)n2N)c1 ZINC000009587219 555398380 /nfs/dbraw/zinc/39/83/80/555398380.db2.gz AJBWZXICUMBDCW-NSHDSACASA-N 0 0 450.351 4.288 50 0 JIAARN CCn1c(SCC(=O)OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)nnc1-c1cccs1 ZINC000009587543 555399334 /nfs/dbraw/zinc/39/93/34/555399334.db2.gz GMMVSZJEUIXFQS-UHFFFAOYSA-N 0 0 485.591 4.249 50 0 JIAARN Cc1ccc(-n2c3ccccc3nc2SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009587934 555399908 /nfs/dbraw/zinc/39/99/08/555399908.db2.gz HURQSRZWOILLBB-NRFANRHFSA-N 0 0 483.659 4.384 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@H]23)cc1OC ZINC000009676297 555400835 /nfs/dbraw/zinc/40/08/35/555400835.db2.gz YFZBBRJXQHCRJC-CLJLJLNGSA-N 0 0 488.540 4.197 50 0 JIAARN O=C(C[C@]1(O)C(=O)N(CN2CCCCC2)c2ccc(Br)cc21)c1ccc(Cl)cc1 ZINC000013463845 555401331 /nfs/dbraw/zinc/40/13/31/555401331.db2.gz ZBPKELYGNPEUKP-JOCHJYFZSA-N 0 0 477.786 4.353 50 0 JIAARN CC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)CN1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000013465030 555401621 /nfs/dbraw/zinc/40/16/21/555401621.db2.gz URKINEKCISLZDP-UHFFFAOYSA-N 0 0 479.577 4.462 50 0 JIAARN CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)NC4CCCC4)n3)c(=O)oc21 ZINC000009590284 555403426 /nfs/dbraw/zinc/40/34/26/555403426.db2.gz COZWTJPIZZVEET-UHFFFAOYSA-N 0 0 455.536 4.093 50 0 JIAARN COC(=O)c1sc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc(O)cc2)nc1C ZINC000009592269 555406693 /nfs/dbraw/zinc/40/66/93/555406693.db2.gz QZOFSVSVCRJEQO-IBGZPJMESA-N 0 0 476.510 4.417 50 0 JIAARN C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N(C)C[C@@H]1COc2ccccc2O1 ZINC000009592355 555407073 /nfs/dbraw/zinc/40/70/73/555407073.db2.gz QOGROQSMZDLUBI-GXTWGEPZSA-N 0 0 484.188 4.310 50 0 JIAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nnc(-c2ccncc2)n1CC ZINC000009593249 555408350 /nfs/dbraw/zinc/40/83/50/555408350.db2.gz XANXKGHLMLTCJP-UHFFFAOYSA-N 0 0 469.596 4.002 50 0 JIAARN COc1ccc(-n2nc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681747 555409796 /nfs/dbraw/zinc/40/97/96/555409796.db2.gz VSCDNDWJUDPISE-CSODHUTKSA-N 0 0 458.562 4.441 50 0 JIAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCC[C@H]3C(N)=O)n2C2CCCC2)cc1 ZINC000009594136 555409907 /nfs/dbraw/zinc/40/99/07/555409907.db2.gz YEZZDKNVJKRLBU-FQEVSTJZSA-N 0 0 469.655 4.316 50 0 JIAARN Cc1ccc(-n2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009682025 555410296 /nfs/dbraw/zinc/41/02/96/555410296.db2.gz PRXMLNXRXMPQGZ-UHFFFAOYSA-N 0 0 495.558 4.287 50 0 JIAARN Cc1cccc(N2CCN(C(=O)CSc3nc4ccccc4nc3N3CCCC3)CC2)c1C ZINC000009594562 555410654 /nfs/dbraw/zinc/41/06/54/555410654.db2.gz JVMLXRZIFASIDV-UHFFFAOYSA-N 0 0 461.635 4.288 50 0 JIAARN Cc1nc2ccc(S(=O)(=O)N(CC(=O)N(C)Cc3ccccc3)Cc3ccccc3)cc2s1 ZINC000009683324 555411278 /nfs/dbraw/zinc/41/12/78/555411278.db2.gz VZVHNTBQCSPJNX-UHFFFAOYSA-N 0 0 479.627 4.454 50 0 JIAARN O=C(c1cc(-c2cccs2)nn1-c1ccccc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000009596376 555412773 /nfs/dbraw/zinc/41/27/73/555412773.db2.gz QLOQTHMMUWNJGR-UHFFFAOYSA-N 0 0 498.655 4.245 50 0 JIAARN C[C@H](NC(=O)CCc1nc2ccccc2n(CCc2ccccc2)c1=O)c1ccc2c(c1)OCCO2 ZINC000009596699 555413420 /nfs/dbraw/zinc/41/34/20/555413420.db2.gz NBVMPWHZTJYQNC-FQEVSTJZSA-N 0 0 483.568 4.220 50 0 JIAARN Cc1cc2c(cc1S(=O)(=O)N(C)C[C@H]1COc3ccccc3O1)[nH]c1c2C(=O)CC(C)(C)C1 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ZINC000014998216 555842726 /nfs/dbraw/zinc/84/27/26/555842726.db2.gz SBYJFLGHRKKYLN-HNNXBMFYSA-N 0 0 491.635 4.189 50 0 JIAARN Cc1c2ccc(OCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000011866938 555843125 /nfs/dbraw/zinc/84/31/25/555843125.db2.gz GBHPWWJUMFPQSY-PIKZIKFNSA-N 0 0 461.558 4.225 50 0 biogenic JIAARN Cc1nn(CCNC(=O)Cn2nc(C)c3c2nc(C2CC2)cc3C(F)(F)F)c(C)c1Br ZINC000020602448 555843389 /nfs/dbraw/zinc/84/33/89/555843389.db2.gz IULVNRISEOBUDL-UHFFFAOYSA-N 0 0 499.335 4.028 50 0 JIAARN C[C@H](c1cccs1)N(C)C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O ZINC000014999044 555843683 /nfs/dbraw/zinc/84/36/83/555843683.db2.gz AFYDONUTMOKIST-NFQMXDRXSA-N 0 0 491.613 4.219 50 0 JIAARN CCCC[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000011867336 555844269 /nfs/dbraw/zinc/84/42/69/555844269.db2.gz NNYGXAAMUGIMTC-AZSVPQILSA-N 0 0 453.579 4.373 50 0 JIAARN CSc1ccc(C[C@]2(CCC(=O)N[C@@H](c3cccnc3)C(F)(F)F)CCC(=O)N2)cc1 ZINC000015000593 555845383 /nfs/dbraw/zinc/84/53/83/555845383.db2.gz KWCSFJLEVYRIFB-SFTDATJTSA-N 0 0 451.514 4.195 50 0 JIAARN Cc1cc(=O)c(C(=O)N2CCOCC2)c2n1-c1ccccc1S[C@@H](c1ccc(F)c(F)c1)C2 ZINC000015002341 555847664 /nfs/dbraw/zinc/84/76/64/555847664.db2.gz NZXXKTXSPGAQDF-HSZRJFAPSA-N 0 0 468.525 4.286 50 0 JIAARN C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)Nc3ccccc3C(N)=O)c1)c1cc(Cl)ccc1O2 ZINC000020854741 555848130 /nfs/dbraw/zinc/84/81/30/555848130.db2.gz XSAQRXPEKLGIOG-CJFMBICVSA-N 0 0 476.920 4.461 50 0 JIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCCOc3ccc(C)cc3C)c(Cl)c2)S1 ZINC000020895967 555848526 /nfs/dbraw/zinc/84/85/26/555848526.db2.gz YEOHFJOIBVGJTN-NRFANRHFSA-N 0 0 461.971 4.416 50 0 JIAARN Cc1ncc2c(c1CNC(=O)c1ccc3[nH]cnc3c1)CCN(C(=O)c1ccc(F)cc1Cl)C2 ZINC000011880507 555848681 /nfs/dbraw/zinc/84/86/81/555848681.db2.gz UONAWLOZGSFUKS-UHFFFAOYSA-N 0 0 477.927 4.187 50 0 JIAARN CSc1nccc(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)[C@@H](c2cccnc2)N2CCCC2)C3)n1 ZINC000015004810 555849432 /nfs/dbraw/zinc/84/94/32/555849432.db2.gz HIFQDWKLOLHJDG-SIKLNZKXSA-N 0 0 496.036 4.171 50 0 JIAARN Cc1csc(CNC(=O)c2c(=O)cc(C)n(Cc3ccccn3)c2CCc2ccccc2)n1 ZINC000015004763 555849530 /nfs/dbraw/zinc/84/95/30/555849530.db2.gz YVZILJZPVSRSGN-UHFFFAOYSA-N 0 0 458.587 4.080 50 0 JIAARN COCCCN1C(=O)C[C@@](CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)(c2ccccc2Cl)C1=O ZINC000011881593 555849975 /nfs/dbraw/zinc/84/99/75/555849975.db2.gz WAPSDHZRXHPLNU-GJZUVCINSA-N 0 0 486.971 4.266 50 0 JIAARN CCc1nc2cc(C(=O)N(CC3CC3)C[C@@H]3CCCO3)cc(NC(=O)c3ccccc3OC)c2n1C ZINC000015006490 555850834 /nfs/dbraw/zinc/85/08/34/555850834.db2.gz YFTIONHPTFHZTI-FQEVSTJZSA-N 0 0 490.604 4.428 50 0 JIAARN Cc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 ZINC000011904303 555852542 /nfs/dbraw/zinc/85/25/42/555852542.db2.gz NWZONALRYCRZMM-UHFFFAOYSA-N 0 0 458.337 4.489 50 0 JIAARN CCCn1c(COC(=O)c2ccccc2NCc2ccco2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000021994910 555860177 /nfs/dbraw/zinc/86/01/77/555860177.db2.gz OAWGIULULIPWFS-UHFFFAOYSA-N 0 0 496.589 4.259 50 0 JIAARN COc1ccc(C[C@@]2(CCC(=O)N3CCC[C@H]3c3nc4cc(F)ccc4[nH]3)CCC(=O)N2)c(F)c1 ZINC000011912119 555860252 /nfs/dbraw/zinc/86/02/52/555860252.db2.gz KFHYPGNGQVUOCJ-NVQXNPDNSA-N 0 0 482.531 4.185 50 0 JIAARN Cn1ccnc1[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc(Cl)cc1 ZINC000022008507 555861324 /nfs/dbraw/zinc/86/13/24/555861324.db2.gz FFKORWBOFZDPKJ-JOCHJYFZSA-N 0 0 467.356 4.456 50 0 JIAARN CCCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OCC ZINC000011914274 555864931 /nfs/dbraw/zinc/86/49/31/555864931.db2.gz NODCZXPIODELQG-QHCPKHFHSA-N 0 0 451.519 4.217 50 0 JIAARN Cc1c(CN(C)Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)[nH]c2ccccc12 ZINC000015061504 555866775 /nfs/dbraw/zinc/86/67/75/555866775.db2.gz WSXXDGRYEQNCIK-IYBDPMFKSA-N 0 0 451.596 4.067 50 0 JIAARN Cc1cccc(C[C@H](C)NC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)n1 ZINC000015066698 555867100 /nfs/dbraw/zinc/86/71/00/555867100.db2.gz ABIFTWRMXDKATF-SFHVURJKSA-N 0 0 464.573 4.370 50 0 JIAARN CCCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)cc1OC ZINC000011916950 555868004 /nfs/dbraw/zinc/86/80/04/555868004.db2.gz XNQMQNHRTKKLFP-QHCPKHFHSA-N 0 0 451.519 4.217 50 0 JIAARN CCOc1ccc(SCC(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 ZINC000022064708 555868549 /nfs/dbraw/zinc/86/85/49/555868549.db2.gz RPRTYOBUUCSCGC-UHFFFAOYSA-N 0 0 463.606 4.311 50 0 JIAARN CSCC[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)N1C(=O)c2ccccc2C1=O ZINC000011917903 555868553 /nfs/dbraw/zinc/86/85/53/555868553.db2.gz OGMKPPMJQVBGEF-SFHVURJKSA-N 0 0 452.532 4.085 50 0 JIAARN CO[C@@H](C(=O)N1CCc2c(cnc(C)c2CNC(=O)CSc2ccccc2)C1)c1ccccc1 ZINC000015069154 555869167 /nfs/dbraw/zinc/86/91/67/555869167.db2.gz XSUHJQOEEJYSAE-AREMUKBSSA-N 0 0 475.614 4.071 50 0 JIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000011919085 555869659 /nfs/dbraw/zinc/86/96/59/555869659.db2.gz OSPBQHGDKMYJPL-INIZCTEOSA-N 0 0 459.571 4.350 50 0 JIAARN C[C@@H](Sc1nnc(-c2ccncc2)n1Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022069699 555869908 /nfs/dbraw/zinc/86/99/08/555869908.db2.gz ZCEWYSSORSCNNJ-JOCHJYFZSA-N 0 0 498.656 4.213 50 0 JIAARN C[C@H](Sc1nnc(-c2ccncc2)n1Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022069701 555869967 /nfs/dbraw/zinc/86/99/67/555869967.db2.gz ZCEWYSSORSCNNJ-QFIPXVFZSA-N 0 0 498.656 4.213 50 0 JIAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(CCc2ccc(OC(F)F)cc2)C1=O)c1cc2ccccc2o1 ZINC000022080658 555872145 /nfs/dbraw/zinc/87/21/45/555872145.db2.gz XDXZIMQIKDOXEA-MQNRADLISA-N 0 0 485.487 4.155 50 0 JIAARN COc1cc(OC)cc(C(=O)N(Cc2cccc(OC[C@@H]3CCOC3)c2)Cc2ccccn2)c1 ZINC000011966828 555872164 /nfs/dbraw/zinc/87/21/64/555872164.db2.gz CVEVLMHALTUBRS-OAQYLSRUSA-N 0 0 462.546 4.357 50 0 JIAARN C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022087400 555872558 /nfs/dbraw/zinc/87/25/58/555872558.db2.gz LROMZFUEWFMZLT-JOCHJYFZSA-N 0 0 498.656 4.213 50 0 JIAARN COc1ccc2c(C)c(CCC(=O)N3CC=C(c4c(OC)cc(OC)cc4OC)CC3)c(=O)oc2c1 ZINC000011969716 555873343 /nfs/dbraw/zinc/87/33/43/555873343.db2.gz FVKASYNVOZYBOV-UHFFFAOYSA-N 0 0 493.556 4.384 50 0 JIAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1cn(-c3ccccc3)nc1-c1ccccc1)C2=O ZINC000022096145 555873710 /nfs/dbraw/zinc/87/37/10/555873710.db2.gz KRPAAENKJLYTAR-NFQMXDRXSA-N 0 0 457.578 4.429 50 0 JIAARN COc1cc(C[C@@]2(CCC(=O)NCCc3ccccc3C(F)(F)F)CCC(=O)N2)ccc1F ZINC000011971960 555874241 /nfs/dbraw/zinc/87/42/41/555874241.db2.gz MAGVDUPDHVLFBU-HSZRJFAPSA-N 0 0 466.475 4.184 50 0 JIAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000011990901 555877795 /nfs/dbraw/zinc/87/77/95/555877795.db2.gz GSKSEGXLQYMIAD-LBPRGKRZSA-N 0 0 486.409 4.118 50 0 JIAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011996929 555878742 /nfs/dbraw/zinc/87/87/42/555878742.db2.gz LUWJYYFQXXQPIW-HXUWFJFHSA-N 0 0 467.591 4.468 50 0 JIAARN Cc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)c1ccc2c(c1)OCO2 ZINC000011997089 555879092 /nfs/dbraw/zinc/87/90/92/555879092.db2.gz HECQIXWVKSFLCA-UHFFFAOYSA-N 0 0 469.497 4.490 50 0 JIAARN C[C@H](OC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000015128077 555879198 /nfs/dbraw/zinc/87/91/98/555879198.db2.gz XZVGYZDYCNNTED-HNNXBMFYSA-N 0 0 494.491 4.097 50 0 JIAARN COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 ZINC000015132823 555879506 /nfs/dbraw/zinc/87/95/06/555879506.db2.gz IVJHLDGOPQSIBE-KRWDZBQOSA-N 0 0 454.548 4.020 50 0 JIAARN COc1cc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(N)s2)ccc1OC(F)F ZINC000022140227 555881015 /nfs/dbraw/zinc/88/10/15/555881015.db2.gz IDWFSLGJZJPCCZ-GFCCVEGCSA-N 0 0 497.574 4.262 50 0 JIAARN CCOC(=O)C[C@H]1CCCCN1C(=O)CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 ZINC000011999874 555882215 /nfs/dbraw/zinc/88/22/15/555882215.db2.gz MWOMXASUZDGXBP-YIXXDRMTSA-N 0 0 450.579 4.146 50 0 JIAARN CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(I)cc4)cs3)ccc21 ZINC000012001541 555882490 /nfs/dbraw/zinc/88/24/90/555882490.db2.gz FJMPRTHGKUWEML-UHFFFAOYSA-N 0 0 475.315 4.432 50 0 JIAARN Cc1ccc(N2C(=O)C[C@@H](C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)[C@H]2c2cccs2)cc1 ZINC000022186930 555882767 /nfs/dbraw/zinc/88/27/67/555882767.db2.gz BHQVLUKOXVMKEI-IERDGZPVSA-N 0 0 478.599 4.107 50 0 JIAARN O=C(CCn1nc(-c2cccs2)oc1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000015192950 555883445 /nfs/dbraw/zinc/88/34/45/555883445.db2.gz NKUZMHMQLRTESW-UHFFFAOYSA-N 0 0 452.458 4.213 50 0 JIAARN COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1 ZINC000022191256 555883498 /nfs/dbraw/zinc/88/34/98/555883498.db2.gz GCKCEWYJQBRJGC-UHFFFAOYSA-N 0 0 460.939 4.309 50 0 JIAARN CCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)COc2cccc3c2OC(C)(C)C3)n1 ZINC000012007599 555883758 /nfs/dbraw/zinc/88/37/58/555883758.db2.gz MJQCBLWMLCYGIR-UHFFFAOYSA-N 0 0 489.532 4.311 50 0 JIAARN CCCCN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3cc(OC)c(OC)c(OC)c3)N2C1=O ZINC000022204941 555884976 /nfs/dbraw/zinc/88/49/76/555884976.db2.gz MPIFYFQVFLNUOD-XXBNENTESA-N 0 0 463.534 4.272 50 0 JIAARN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000022226788 555885926 /nfs/dbraw/zinc/88/59/26/555885926.db2.gz ZSYYJCCHKFVFQQ-UHFFFAOYSA-N 0 0 497.584 4.004 50 0 JIAARN O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000015238350 555890026 /nfs/dbraw/zinc/89/00/26/555890026.db2.gz ZACQTFZULNWXDD-NLFFAJNJSA-N 0 0 485.367 4.423 50 0 JIAARN O=C(CSc1ccccc1)Nc1cnn(CC(=O)NCc2scnc2-c2ccccc2)c1 ZINC000012037808 555890984 /nfs/dbraw/zinc/89/09/84/555890984.db2.gz GQCYVGYMGCRKPJ-UHFFFAOYSA-N 0 0 463.588 4.054 50 0 JIAARN O=C(CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)NCc1ccc2c(c1)OCO2 ZINC000012040768 555893451 /nfs/dbraw/zinc/89/34/51/555893451.db2.gz YCPZOJVFQAPFEI-NDEPHWFRSA-N 0 0 456.542 4.370 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(COc3ccc(OC)cc3)o1)CCC2 ZINC000015303710 555893980 /nfs/dbraw/zinc/89/39/80/555893980.db2.gz VQPNRZJVJOQLFO-UHFFFAOYSA-N 0 0 489.575 4.115 50 0 JIAARN COc1ccccc1-n1cc(CNC(=O)CC[C@@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)cn1 ZINC000012042006 555894408 /nfs/dbraw/zinc/89/44/08/555894408.db2.gz AUXPTADMGBFXPD-LJAQVGFWSA-N 0 0 482.584 4.322 50 0 JIAARN O=C(C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O)N1CCC[C@H](C(=O)c2ccccc2)C1 ZINC000012042240 555894729 /nfs/dbraw/zinc/89/47/29/555894729.db2.gz XIMVEBKLDROYQC-KCWXNJEJSA-N 0 0 490.575 4.277 50 0 JIAARN Cc1cc(N2CCN(CC(=O)Nc3ncc(Cc4ccccc4Cl)s3)CC2)nc(C(C)C)n1 ZINC000022242415 555895685 /nfs/dbraw/zinc/89/56/85/555895685.db2.gz UTRAQWFOUHRFER-UHFFFAOYSA-N 0 0 485.057 4.370 50 0 JIAARN COc1ccccc1CCNC(=O)[C@H]1CC12CCN(Cc1cc(OC)c(OC)cc1Cl)CC2 ZINC000012052979 555896965 /nfs/dbraw/zinc/89/69/65/555896965.db2.gz QVMVMNCTWNFZRT-HXUWFJFHSA-N 0 0 473.013 4.327 50 0 JIAARN O=C(/C=C/c1ccc(F)c(F)c1)NC[C@@H]1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)O1 ZINC000012055457 555898170 /nfs/dbraw/zinc/89/81/70/555898170.db2.gz VDFPYTYZJZKVEF-PKKDWCJXSA-N 0 0 458.480 4.087 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NCC(=O)Nc2cccc(-c3csc(C)n3)c2)c1 ZINC000015321132 555898188 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C[C@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)C(=O)Nc1sccc1C(N)=O ZINC000015803478 556009056 /nfs/dbraw/zinc/00/90/56/556009056.db2.gz FRLNZEPJKJOYNV-ZDUSSCGKSA-N 0 0 463.490 4.385 50 0 JIAARN CCc1cccc(CC)c1NC(=O)Cn1nc(-c2ccco2)c2sc(N3CCCC3)nc2c1=O ZINC000023109042 556010115 /nfs/dbraw/zinc/01/01/15/556010115.db2.gz KKLLHKYPYVLGLT-UHFFFAOYSA-N 0 0 477.590 4.477 50 0 JIAARN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CCC3)cc1 ZINC000015822832 556011099 /nfs/dbraw/zinc/01/10/99/556011099.db2.gz OOUVKPQCMUMCQJ-UHFFFAOYSA-N 0 0 491.679 4.440 50 0 JIAARN COc1cccc(N(CC(=O)NCCSc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000015823043 556011399 /nfs/dbraw/zinc/01/13/99/556011399.db2.gz VWGBGTUVMSDQAC-UHFFFAOYSA-N 0 0 470.616 4.107 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)Cc1c(-c2ccccc2)nc2ccc(C)cn21 ZINC000012538896 556012090 /nfs/dbraw/zinc/01/20/90/556012090.db2.gz FKWLJTBEVLEJNG-JOCHJYFZSA-N 0 0 477.634 4.115 50 0 JIAARN Cc1c(CCNS(=O)(=O)c2ccc(F)c(C)c2)sc2nc(-c3ccc(Cl)cc3)nn12 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Cc1oc2cc(Oc3ccc(S(=O)(=O)N4CCOCC4)cn3)ccc2c(=O)c1Oc1ccccc1 ZINC000012543690 556019747 /nfs/dbraw/zinc/01/97/47/556019747.db2.gz RTISRVNOORRQTJ-UHFFFAOYSA-N 0 0 494.525 4.102 50 0 JIAARN COc1ccc(C)cc1-n1c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nnc1-c1cccs1 ZINC000012544245 556020467 /nfs/dbraw/zinc/02/04/67/556020467.db2.gz TZCIEHZPIQIVBY-HOTGVXAUSA-N 0 0 458.609 4.089 50 0 JIAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(CCCN1CCOCC1)C3=O ZINC000015838125 556021557 /nfs/dbraw/zinc/02/15/57/556021557.db2.gz FIOYFVRTDYNTGA-HSZRJFAPSA-N 0 0 466.965 4.331 50 0 JIAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(NCCc3cn4ccccc4n3)c2c1C ZINC000012547464 556024357 /nfs/dbraw/zinc/02/43/57/556024357.db2.gz BBBXAWCHACFUOQ-UHFFFAOYSA-N 0 0 478.622 4.465 50 0 JIAARN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000012547511 556024493 /nfs/dbraw/zinc/02/44/93/556024493.db2.gz YFVUSIRSJULZKG-GOSISDBHSA-N 0 0 460.606 4.066 50 0 JIAARN CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1=O ZINC000015858204 556025454 /nfs/dbraw/zinc/02/54/54/556025454.db2.gz RAQBIULHMWUOFN-UHFFFAOYSA-N 0 0 460.861 4.314 50 0 JIAARN COc1cccc([C@H]2Oc3ccccc3-n3c(-c4ccccc4C)c4c(c32)n(C)c(=O)n(C)c4=O)c1 ZINC000015858815 556026330 /nfs/dbraw/zinc/02/63/30/556026330.db2.gz NNEMTWJMQBVPSE-HHHXNRCGSA-N 0 0 479.536 4.494 50 0 JIAARN CCCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000012548492 556026590 /nfs/dbraw/zinc/02/65/90/556026590.db2.gz ZTEDJUUJYYIRRX-MRXNPFEDSA-N 0 0 458.609 4.014 50 0 JIAARN COc1cccc([C@@H]2Oc3ccccc3-n3c(-c4ccc(C)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1 ZINC000015858912 556027252 /nfs/dbraw/zinc/02/72/52/556027252.db2.gz MSYNFBTYRPSLKG-MHZLTWQESA-N 0 0 479.536 4.494 50 0 JIAARN S=c1n(CN2CCN(c3cnccn3)CC2)nc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000012549022 556028213 /nfs/dbraw/zinc/02/82/13/556028213.db2.gz XWUIRNKIIYJZJX-UHFFFAOYSA-N 0 0 463.998 4.293 50 0 JIAARN COc1ccc([C@@H](NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c2nccn2C)cc1 ZINC000012550068 556030635 /nfs/dbraw/zinc/03/06/35/556030635.db2.gz DOYUWJZPFICPSX-RUZDIDTESA-N 0 0 467.529 4.175 50 0 JIAARN Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)N2CCOCC2)cc1 ZINC000015859633 556031096 /nfs/dbraw/zinc/03/10/96/556031096.db2.gz DSLPGECMJLKJBN-OAQYLSRUSA-N 0 0 470.367 4.216 50 0 JIAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000015861260 556033886 /nfs/dbraw/zinc/03/38/86/556033886.db2.gz IFCVUMULMUWSSW-HXUWFJFHSA-N 0 0 457.482 4.114 50 0 JIAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)C[C@@H]1CSCN12 ZINC000015862161 556035203 /nfs/dbraw/zinc/03/52/03/556035203.db2.gz VIASYBGSEFVFLU-LDJQZATESA-N 0 0 477.508 4.181 50 0 biogenic JIAARN Cn1c(=S)n(CN2CCN(Cc3ccc(Br)s3)CC2)nc1-c1ccccc1 ZINC000023254132 556035623 /nfs/dbraw/zinc/03/56/23/556035623.db2.gz BCNTYTYQCQGGCC-UHFFFAOYSA-N 0 0 464.458 4.217 50 0 JIAARN CCCOc1ccc([C@@H]2NC(=S)N(c3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1OC ZINC000012553249 556036995 /nfs/dbraw/zinc/03/69/95/556036995.db2.gz AXJBISVNDMFCHB-QFIPXVFZSA-N 0 0 456.564 4.375 50 0 JIAARN Cc1c(-c2ccccc2)sc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1C(=O)N1CCCCC1 ZINC000023272014 556037710 /nfs/dbraw/zinc/03/77/10/556037710.db2.gz LNPIXZOKMCHSKO-SANMLTNESA-N 0 0 494.617 4.009 50 0 JIAARN CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000012554725 556039542 /nfs/dbraw/zinc/03/95/42/556039542.db2.gz NHHHGIVYGNAGJN-UHFFFAOYSA-N 0 0 472.014 4.317 50 0 JIAARN CC(=O)c1ccc(N2CCN(CC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)CC2)c(F)c1 ZINC000012554785 556039560 /nfs/dbraw/zinc/03/95/60/556039560.db2.gz YIIPPOISCAXBDS-HXUWFJFHSA-N 0 0 480.609 4.166 50 0 JIAARN CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCCN(C(=O)C=C(C)C)CC1 ZINC000023305020 556039730 /nfs/dbraw/zinc/03/97/30/556039730.db2.gz VQVVLROZCXECEM-UHFFFAOYSA-N 0 0 451.354 4.118 50 0 JIAARN C[C@@H]1Cc2cc(C3=NNC(=Nc4cccc(Br)c4)SC3)ccc2N1S(C)(=O)=O ZINC000012555025 556040121 /nfs/dbraw/zinc/04/01/21/556040121.db2.gz PHUVQPSCAWPGSH-GFCCVEGCSA-N 0 0 479.425 4.079 50 0 JIAARN CCN(Cn1nc(-c2ccc(C)cc2)n(-c2ccc(C)cc2)c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012555534 556040968 /nfs/dbraw/zinc/04/09/68/556040968.db2.gz KQYATFVGCVKJBZ-NRFANRHFSA-N 0 0 456.637 4.154 50 0 JIAARN COc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)cc1OC ZINC000015865448 556041720 /nfs/dbraw/zinc/04/17/20/556041720.db2.gz KPXCLVHPXMUFFT-UHFFFAOYSA-N 0 0 460.490 4.243 50 0 JIAARN O=C(Nc1cccc(Br)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000015865802 556042208 /nfs/dbraw/zinc/04/22/08/556042208.db2.gz ILIHQRJMNKEKFH-QGZVFWFLSA-N 0 0 465.394 4.039 50 0 JIAARN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)c(Br)c1 ZINC000015865786 556042221 /nfs/dbraw/zinc/04/22/21/556042221.db2.gz ZXAUXOQJKUOMTP-GOSISDBHSA-N 0 0 479.421 4.347 50 0 JIAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc(F)ccc4Cl)CC3)nc2)cc1 ZINC000023332382 556043084 /nfs/dbraw/zinc/04/30/84/556043084.db2.gz MOEXLZSDCFTXAV-UHFFFAOYSA-N 0 0 452.917 4.397 50 0 JIAARN Cc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c(-n2cnnc2)c1 ZINC000015867190 556043993 /nfs/dbraw/zinc/04/39/93/556043993.db2.gz UIHFDHIZNQWNJV-UHFFFAOYSA-N 0 0 473.924 4.289 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCC(=O)Nc3c(C)cccc3C)c2)c1 ZINC000012557184 556044709 /nfs/dbraw/zinc/04/47/09/556044709.db2.gz QWZXPUMFBUYZCH-UHFFFAOYSA-N 0 0 465.575 4.090 50 0 JIAARN COc1ccc(C(=O)NCc2ccc(C(=O)Nc3ccc(I)cc3)o2)cc1 ZINC000015868149 556044742 /nfs/dbraw/zinc/04/47/42/556044742.db2.gz OJOZGQCSWWKKMG-UHFFFAOYSA-N 0 0 476.270 4.075 50 0 JIAARN CCOc1ccc(CNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1 ZINC000015868698 556046411 /nfs/dbraw/zinc/04/64/11/556046411.db2.gz JJKAGXFUWYEONG-SFHVURJKSA-N 0 0 463.578 4.380 50 0 JIAARN COc1cc2c(cc1OC)CN(Cn1nc(CN3CCCCC3)n(-c3ccccc3)c1=S)CC2 ZINC000012557813 556046448 /nfs/dbraw/zinc/04/64/48/556046448.db2.gz OHJMMYJXSGHGKG-UHFFFAOYSA-N 0 0 479.650 4.422 50 0 JIAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4cccs4)n3CC(N)=O)ccc21 ZINC000012558203 556047056 /nfs/dbraw/zinc/04/70/56/556047056.db2.gz MQFHSJHWMYEJOQ-UHFFFAOYSA-N 0 0 490.614 4.351 50 0 JIAARN CCCCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(OCC)cc2)C3=O)s1 ZINC000023358294 556048447 /nfs/dbraw/zinc/04/84/47/556048447.db2.gz WCZUJGPHOXCLAN-UHFFFAOYSA-N 0 0 450.520 4.332 50 0 JIAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-n2nnnc2SCc2ccccc2)cc1 ZINC000015869216 556048737 /nfs/dbraw/zinc/04/87/37/556048737.db2.gz WDJUWNJZYFSVJT-UHFFFAOYSA-N 0 0 472.574 4.044 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)c2)cc1 ZINC000023385050 556050839 /nfs/dbraw/zinc/05/08/39/556050839.db2.gz QFHAYLFURYOXLS-VWLOTQADSA-N 0 0 464.587 4.382 50 0 JIAARN COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1OC ZINC000023386017 556050850 /nfs/dbraw/zinc/05/08/50/556050850.db2.gz XSVJDYWXMCJYDY-AEFFLSMTSA-N 0 0 458.942 4.082 50 0 JIAARN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000023387523 556050967 /nfs/dbraw/zinc/05/09/67/556050967.db2.gz NHDOMRRFTCTDKM-HUUCEWRRSA-N 0 0 470.469 4.067 50 0 JIAARN C[C@H](OC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)N1CCc2ccccc21 ZINC000023417924 556052409 /nfs/dbraw/zinc/05/24/09/556052409.db2.gz BNPADOPBNWLTDO-IBGZPJMESA-N 0 0 452.514 4.128 50 0 JIAARN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)n1 ZINC000015881338 556053530 /nfs/dbraw/zinc/05/35/30/556053530.db2.gz KGNWVFALHXTYSK-UHFFFAOYSA-N 0 0 469.542 4.077 50 0 JIAARN O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCN(c2nc3c(cccc3F)s2)CC1 ZINC000015882461 556056631 /nfs/dbraw/zinc/05/66/31/556056631.db2.gz SIVHBVIMMBXOSX-UHFFFAOYSA-N 0 0 496.589 4.199 50 0 JIAARN CC(=O)c1ccc(N2CCN(C(=O)C[C@@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)CC2)c(F)c1 ZINC000012564788 556061166 /nfs/dbraw/zinc/06/11/66/556061166.db2.gz XAAMMBNQTOLKGC-FQEVSTJZSA-N 0 0 495.498 4.199 50 0 JIAARN CC(C)(C)c1cc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)n(-c2ccccc2)n1 ZINC000012565688 556062948 /nfs/dbraw/zinc/06/29/48/556062948.db2.gz JZORJWFBVTVDNO-UHFFFAOYSA-N 0 0 460.559 4.470 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000015905929 556062999 /nfs/dbraw/zinc/06/29/99/556062999.db2.gz WIURICQQHJAKHR-TXFWVUOCSA-N 0 0 486.593 4.114 50 0 JIAARN O=C(Nc1nc(-c2c[nH]c3ccccc32)cs1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012567294 556066325 /nfs/dbraw/zinc/06/63/25/556066325.db2.gz UUVVCNPIUJKLDF-UHFFFAOYSA-N 0 0 452.561 4.328 50 0 JIAARN CCOc1ccc(NC(=O)c2ccccc2NC(=O)CSc2nnc3n2CCCCC3)cc1 ZINC000012567631 556067181 /nfs/dbraw/zinc/06/71/81/556067181.db2.gz IAIZKXVJLYYJAC-UHFFFAOYSA-N 0 0 465.579 4.386 50 0 JIAARN Cc1cccc2nc(CSc3nnc(COc4ccccc4Cl)n3C3CC3)cc(=O)n12 ZINC000012567961 556067710 /nfs/dbraw/zinc/06/77/10/556067710.db2.gz SDYRADOVUTWMLN-UHFFFAOYSA-N 0 0 453.955 4.454 50 0 JIAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)C2=O ZINC000012568502 556069170 /nfs/dbraw/zinc/06/91/70/556069170.db2.gz JCWRBBFDKPAFDH-SIYOEGHHSA-N 0 0 476.577 4.007 50 0 JIAARN Cc1ccc(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000012568815 556070027 /nfs/dbraw/zinc/07/00/27/556070027.db2.gz BSXYRHGVPNYRRZ-UHFFFAOYSA-N 0 0 490.069 4.171 50 0 JIAARN O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012569213 556071358 /nfs/dbraw/zinc/07/13/58/556071358.db2.gz GHKOFNWCUNROIC-XMMPIXPASA-N 0 0 487.622 4.380 50 0 JIAARN COc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1OC ZINC000015934888 556072524 /nfs/dbraw/zinc/07/25/24/556072524.db2.gz DPRYLZUQLDHNBF-UHFFFAOYSA-N 0 0 469.538 4.457 50 0 JIAARN O=C(CNC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2)Nc1ccccc1Br ZINC000012577702 556076634 /nfs/dbraw/zinc/07/66/34/556076634.db2.gz VIOAGHSROCMXHK-UHFFFAOYSA-N 0 0 499.434 4.361 50 0 JIAARN CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccc(OC)cc3)n2C2CCCCC2)CC1 ZINC000023564034 556078895 /nfs/dbraw/zinc/07/88/95/556078895.db2.gz ZDMJWXCRPFFNJQ-SFHVURJKSA-N 0 0 457.644 4.104 50 0 JIAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)C2)cc1 ZINC000015943537 556079269 /nfs/dbraw/zinc/07/92/69/556079269.db2.gz OTRORFKGRONKKO-IBGZPJMESA-N 0 0 483.634 4.103 50 0 JIAARN CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nc1-c1ccccc1 ZINC000012581491 556079415 /nfs/dbraw/zinc/07/94/15/556079415.db2.gz OCFIGMXMLMNWGO-UHFFFAOYSA-N 0 0 499.614 4.414 50 0 JIAARN CC(C)c1nnc(SCc2nc3c(Br)cc(Br)cc3c(=O)[nH]2)[nH]1 ZINC000023647607 556082038 /nfs/dbraw/zinc/08/20/38/556082038.db2.gz AHSVVVHEXVHKHR-UHFFFAOYSA-N 0 0 459.167 4.394 50 0 JIAARN COc1cc(CN(C)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)ccc1OCc1ccccc1 ZINC000023818129 556089649 /nfs/dbraw/zinc/08/96/49/556089649.db2.gz DWCLCUMWKCMRIH-AFMDSPMNSA-N 0 0 451.567 4.164 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000023826011 556090503 /nfs/dbraw/zinc/09/05/03/556090503.db2.gz HFZSDGWFFBGPAZ-UHFFFAOYSA-N 0 0 458.278 4.285 50 0 JIAARN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000023845437 556091503 /nfs/dbraw/zinc/09/15/03/556091503.db2.gz FSMJFOUVMZRCCK-CQSZACIVSA-N 0 0 468.907 4.496 50 0 JIAARN CN(Cc1nc2ccccc2s1)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000023850774 556092450 /nfs/dbraw/zinc/09/24/50/556092450.db2.gz LKSRSXGHRMBSMV-UHFFFAOYSA-N 0 0 470.598 4.462 50 0 JIAARN COc1ccc(OC)c([C@@H]2CCCN2CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 ZINC000023851939 556092484 /nfs/dbraw/zinc/09/24/84/556092484.db2.gz ZPCAMCCYCDMFMC-DEOSSOPVSA-N 0 0 471.557 4.294 50 0 JIAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccccc1 ZINC000023909162 556100639 /nfs/dbraw/zinc/10/06/39/556100639.db2.gz FBAOQBAENMGAHK-JOCHJYFZSA-N 0 0 468.022 4.087 50 0 JIAARN O=C(C1=C2C(O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12)c1ccc(F)cc1 ZINC000015989795 556102206 /nfs/dbraw/zinc/10/22/06/556102206.db2.gz ZESFOJLOHYIQFI-KAOXLYBCSA-N 0 0 473.891 4.241 50 0 JIAARN O=C(C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccc(F)cc1 ZINC000015996140 556102852 /nfs/dbraw/zinc/10/28/52/556102852.db2.gz NVZNKRNUUTUOCC-AFXVXQJMSA-N 0 0 473.891 4.241 50 0 JIAARN Cc1sc2nc(CN3CCN(C(=O)c4cccc(Oc5ccccc5)c4)CC3)[nH]c(=O)c2c1C ZINC000023955549 556103589 /nfs/dbraw/zinc/10/35/89/556103589.db2.gz SIYBANPSXOCJEI-UHFFFAOYSA-N 0 0 474.586 4.352 50 0 JIAARN O=C(C1=C2C(O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000015998966 556103939 /nfs/dbraw/zinc/10/39/39/556103939.db2.gz NKIHNNUESUQASV-ODAXIHTASA-N 0 0 473.891 4.241 50 0 JIAARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016001106 556105942 /nfs/dbraw/zinc/10/59/42/556105942.db2.gz VAPJNWMGRHXMGP-FXKZBUDASA-N 0 0 490.774 4.386 50 0 JIAARN O=C(Nc1cc2c(cc1Br)OCCO2)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000016008935 556108222 /nfs/dbraw/zinc/10/82/22/556108222.db2.gz FSXWWQJOKJYDOX-UHFFFAOYSA-N 0 0 492.329 4.231 50 0 JIAARN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N(Cc3ccc(F)cc3)C3CC3)c2c1C ZINC000023983180 556110648 /nfs/dbraw/zinc/11/06/48/556110648.db2.gz WBPXUXAUYBQWFW-UHFFFAOYSA-N 0 0 484.597 4.317 50 0 JIAARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCN(Cc4ccncc4)CC3)cc12 ZINC000023983066 556110657 /nfs/dbraw/zinc/11/06/57/556110657.db2.gz AEBZOXWBTXJNBE-UHFFFAOYSA-N 0 0 466.010 4.461 50 0 JIAARN CCn1c(CN[C@H](c2cccs2)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000023983797 556112190 /nfs/dbraw/zinc/11/21/90/556112190.db2.gz IXCKYTKXJIMPLS-QHCPKHFHSA-N 0 0 454.621 4.247 50 0 JIAARN O=C(c1ccccc1S[C@@H]1CCS(=O)(=O)C1)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 ZINC000012791310 556113220 /nfs/dbraw/zinc/11/32/20/556113220.db2.gz SOGGKKOCLCPOHN-LJQANCHMSA-N 0 0 499.654 4.205 50 0 JIAARN CCCCc1cc(=O)oc2cc(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)ccc12 ZINC000016021814 556113970 /nfs/dbraw/zinc/11/39/70/556113970.db2.gz HKLTUNMXYGJKGE-XMMPIXPASA-N 0 0 471.575 4.353 50 0 JIAARN O=C(c1cc2ccccc2[nH]c1=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023994605 556115146 /nfs/dbraw/zinc/11/51/46/556115146.db2.gz PVGPGNRCQHPEJQ-UHFFFAOYSA-N 0 0 459.496 4.354 50 0 JIAARN Cc1cc(O)c([C@H](c2cccnc2)N2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccccc1 ZINC000024022707 556116575 /nfs/dbraw/zinc/11/65/75/556116575.db2.gz BPQIVBWBRYZQPP-NDEPHWFRSA-N 0 0 484.575 4.356 50 0 JIAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000012857544 556118367 /nfs/dbraw/zinc/11/83/67/556118367.db2.gz OQQPXRFDBDXSIQ-LJQANCHMSA-N 0 0 459.015 4.066 50 0 JIAARN COc1ccccc1OCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 ZINC000012860225 556118984 /nfs/dbraw/zinc/11/89/84/556118984.db2.gz CODYESSRBJAEBZ-UHFFFAOYSA-N 0 0 489.597 4.298 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(=O)NCCc3ccccc3)o2)cc1 ZINC000012864858 556120278 /nfs/dbraw/zinc/12/02/78/556120278.db2.gz OPTBQJTYVGHXEV-UHFFFAOYSA-N 0 0 488.569 4.449 50 0 JIAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)C(=O)NCC1CCCCC1 ZINC000016044367 556124263 /nfs/dbraw/zinc/12/42/63/556124263.db2.gz DIPNLEQSDRNYFE-QGZVFWFLSA-N 0 0 493.025 4.407 50 0 JIAARN CN(C)CCCN1C(=O)C(=O)C(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000024193000 556126084 /nfs/dbraw/zinc/12/60/84/556126084.db2.gz NQCWZIGLWWJFQM-SFHVURJKSA-N 0 0 469.390 4.072 50 0 JIAARN COc1ccccc1NC(=O)Cc1nc(COC(=O)c2cc3c(c(Cl)c2)OCO3)cs1 ZINC000024223137 556127305 /nfs/dbraw/zinc/12/73/05/556127305.db2.gz SYKIBMNPZZSKQU-UHFFFAOYSA-N 0 0 460.895 4.072 50 0 JIAARN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000024248018 556127929 /nfs/dbraw/zinc/12/79/29/556127929.db2.gz OVYBUEPLVHUWND-ROUUACIJSA-N 0 0 471.069 4.093 50 0 JIAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000024354445 556129907 /nfs/dbraw/zinc/12/99/07/556129907.db2.gz SDPREKDBXJNVKA-UHFFFAOYSA-N 0 0 452.576 4.441 50 0 JIAARN COc1ccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000024523104 556133631 /nfs/dbraw/zinc/13/36/31/556133631.db2.gz UOSICKFSTAVFCH-UHFFFAOYSA-N 0 0 472.950 4.385 50 0 JIAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(N4CCOCC4)nc3)o2)cc1 ZINC000012914642 556133816 /nfs/dbraw/zinc/13/38/16/556133816.db2.gz DLHSFUBMKGEFDJ-UHFFFAOYSA-N 0 0 454.530 4.479 50 0 JIAARN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(NCc3coc(-c4cccs4)n3)c2c1C ZINC000024527618 556133965 /nfs/dbraw/zinc/13/39/65/556133965.db2.gz PYTSTBSDLHBWTG-UHFFFAOYSA-N 0 0 499.618 4.337 50 0 JIAARN Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(Cc4ccc(Br)s4)CC3)c12 ZINC000024527922 556134290 /nfs/dbraw/zinc/13/42/90/556134290.db2.gz WCDHJYSTAUIVGJ-UHFFFAOYSA-N 0 0 461.385 4.191 50 0 JIAARN O=C(Nc1cccc2c1CCCC2)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000012916047 556135309 /nfs/dbraw/zinc/13/53/09/556135309.db2.gz YYSFESAIMWRNBF-UHFFFAOYSA-N 0 0 464.543 4.025 50 0 JIAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024570206 556136260 /nfs/dbraw/zinc/13/62/60/556136260.db2.gz JQSOLTCIVBBTPH-ZDUSSCGKSA-N 0 0 450.413 4.215 50 0 JIAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024570207 556136267 /nfs/dbraw/zinc/13/62/67/556136267.db2.gz JQSOLTCIVBBTPH-CYBMUJFWSA-N 0 0 450.413 4.215 50 0 JIAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000012917220 556136467 /nfs/dbraw/zinc/13/64/67/556136467.db2.gz VYMVUSFNTGYISK-UHFFFAOYSA-N 0 0 458.465 4.267 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1 ZINC000012918024 556137067 /nfs/dbraw/zinc/13/70/67/556137067.db2.gz SGCWZMDQLIBQQU-UHFFFAOYSA-N 0 0 461.996 4.455 50 0 JIAARN Cc1cc2sc(N(Cc3ccccc3)C(=O)C3CCN(c4ccc5nnnn5n4)CC3)nc2c(C)c1 ZINC000024589998 556137412 /nfs/dbraw/zinc/13/74/12/556137412.db2.gz OIURNRKBFGUIMQ-UHFFFAOYSA-N 0 0 498.616 4.196 50 0 JIAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000012918744 556137625 /nfs/dbraw/zinc/13/76/25/556137625.db2.gz USPDTPHNNLVLDB-UHFFFAOYSA-N 0 0 463.530 4.031 50 0 JIAARN O=C(NCCSC1CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608462 556139604 /nfs/dbraw/zinc/13/96/04/556139604.db2.gz ZSMLNJDGPAHUFL-UHFFFAOYSA-N 0 0 459.077 4.064 50 0 JIAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000024611103 556140943 /nfs/dbraw/zinc/14/09/43/556140943.db2.gz CBEBYEKQLRWSKG-UHFFFAOYSA-N 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CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccccc2C(=O)NCC(=O)C(C)(C)C)cc1 ZINC000012934364 556150281 /nfs/dbraw/zinc/15/02/81/556150281.db2.gz DOSLWTHPJXOKKB-HNNXBMFYSA-N 0 0 455.580 4.109 50 0 JIAARN Cc1ccc2c(C)c(CCC(=O)OCc3cc(=O)n4c5ccccc5sc4n3)c(=O)oc2c1 ZINC000024760067 556151312 /nfs/dbraw/zinc/15/13/12/556151312.db2.gz SKZGMBUATGJIKY-UHFFFAOYSA-N 0 0 460.511 4.308 50 0 JIAARN COc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1S(=O)(=O)NC1CC1 ZINC000012937003 556151734 /nfs/dbraw/zinc/15/17/34/556151734.db2.gz CILFFCPVNUCCQY-OAQYLSRUSA-N 0 0 474.629 4.047 50 0 JIAARN CN1C(=O)C(=O)N(Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4Cl)cc3)cc2)C1=O ZINC000012937098 556151879 /nfs/dbraw/zinc/15/18/79/556151879.db2.gz FXEOPLVFADPRAQ-UHFFFAOYSA-N 0 0 463.877 4.305 50 0 JIAARN CCN(Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000024771853 556153861 /nfs/dbraw/zinc/15/38/61/556153861.db2.gz DSZLIQQBGWCMQM-QGZVFWFLSA-N 0 0 451.523 4.453 50 0 JIAARN COc1ccc([C@@H](CNC(=O)c2cccc3c4c([nH]c32)CCCCC4)N2CCOCC2)cc1OC ZINC000024773796 556154131 /nfs/dbraw/zinc/15/41/31/556154131.db2.gz IOWMVPYMLUNYEP-XMMPIXPASA-N 0 0 477.605 4.257 50 0 JIAARN COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cc(Br)ccc1OC ZINC000016750506 556157226 /nfs/dbraw/zinc/15/72/26/556157226.db2.gz PBNBUVAGPSULJQ-LJQANCHMSA-N 0 0 458.308 4.146 50 0 JIAARN O=c1cc(CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)nc2sc3ccccc3n21 ZINC000024832174 556158367 /nfs/dbraw/zinc/15/83/67/556158367.db2.gz SDBDRDIMKHBYFG-UHFFFAOYSA-N 0 0 452.586 4.378 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000024883600 556162136 /nfs/dbraw/zinc/16/21/36/556162136.db2.gz BMMCDPCKULDLON-FQEVSTJZSA-N 0 0 481.599 4.334 50 0 JIAARN Cc1nc(-c2ccc(CCNC(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)s2)cs1 ZINC000012971485 556163105 /nfs/dbraw/zinc/16/31/05/556163105.db2.gz AVMRQBCZGGPJAH-UHFFFAOYSA-N 0 0 493.651 4.079 50 0 JIAARN COc1cc(NC(=O)Cn2c3ccc(C)cc3c3ncn(Cc4ccccc4)c(=O)c32)cc(OC)c1 ZINC000016841812 556163247 /nfs/dbraw/zinc/16/32/47/556163247.db2.gz HVYJAXBFCDPZPU-UHFFFAOYSA-N 0 0 482.540 4.364 50 0 JIAARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)C1 ZINC000012971953 556163661 /nfs/dbraw/zinc/16/36/61/556163661.db2.gz YGBHROHQCDBMGR-CQSZACIVSA-N 0 0 469.426 4.210 50 0 JIAARN CCCCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC)cc5)no4)ccn3n2)cc1 ZINC000016842317 556164143 /nfs/dbraw/zinc/16/41/43/556164143.db2.gz BODZLQOGEHHZSC-UHFFFAOYSA-N 0 0 471.517 4.449 50 0 JIAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Br)cc5)no4)ccn3n2)cc1 ZINC000016842684 556164484 /nfs/dbraw/zinc/16/44/84/556164484.db2.gz IPOATUSFFUWMFV-UHFFFAOYSA-N 0 0 492.333 4.423 50 0 JIAARN COc1cccc(-c2nc(COC(=O)c3nnn(-c4ccc(C)c(F)c4)c3C)c(C)o2)c1OC ZINC000016842429 556164515 /nfs/dbraw/zinc/16/45/15/556164515.db2.gz KNAQUSQKVDZSIK-UHFFFAOYSA-N 0 0 466.469 4.361 50 0 JIAARN CCOC(=O)c1cnn(-c2ccc(NC(=O)Cc3cc(C(C)=O)ccc3OC)cc2)c1C(F)(F)F ZINC000024948654 556164722 /nfs/dbraw/zinc/16/47/22/556164722.db2.gz ISJQWQQIZNRHMA-UHFFFAOYSA-N 0 0 489.450 4.460 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000012974421 556166102 /nfs/dbraw/zinc/16/61/02/556166102.db2.gz QZTWDZQDTLZSQV-HSZRJFAPSA-N 0 0 467.591 4.062 50 0 JIAARN COc1cccc(-c2nc(COC(=O)c3nnn(-c4cccc(F)c4)c3C)c(C)o2)c1OC ZINC000016844400 556166151 /nfs/dbraw/zinc/16/61/51/556166151.db2.gz NFUURRWETSEIBC-UHFFFAOYSA-N 0 0 452.442 4.052 50 0 JIAARN COCCCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)cc2C1=O ZINC000012974723 556166635 /nfs/dbraw/zinc/16/66/35/556166635.db2.gz GVXITCNZVXXCCW-UHFFFAOYSA-N 0 0 453.495 4.142 50 0 JIAARN COc1cccc(-n2c(=O)c3c4c(sc3nc2SCCN2CCOC2=O)CCCCC4)c1 ZINC000024978584 556167422 /nfs/dbraw/zinc/16/74/22/556167422.db2.gz SWHGJVDYOVERKE-UHFFFAOYSA-N 0 0 471.604 4.269 50 0 JIAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)COC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000012975459 556167495 /nfs/dbraw/zinc/16/74/95/556167495.db2.gz DQWHSTCSPJDJLH-ZDUSSCGKSA-N 0 0 494.997 4.278 50 0 JIAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012975718 556168225 /nfs/dbraw/zinc/16/82/25/556168225.db2.gz QIVJYWIYZQBOGM-IBGZPJMESA-N 0 0 475.376 4.033 50 0 JIAARN CCOc1ccc(Oc2ccc(NC(=O)CN3CCN(C(=O)c4cccs4)CC3)cc2)cc1 ZINC000012975877 556168554 /nfs/dbraw/zinc/16/85/54/556168554.db2.gz PBBHFSRJQRLLAY-UHFFFAOYSA-N 0 0 465.575 4.336 50 0 JIAARN O=C(Nc1ccccc1N1CCCC1=O)c1cc(Br)ccc1I ZINC000012976075 556168731 /nfs/dbraw/zinc/16/87/31/556168731.db2.gz JDAWHOPQXVJFSI-UHFFFAOYSA-N 0 0 485.119 4.433 50 0 JIAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccncc3)no2)cc1Cl ZINC000016846960 556169380 /nfs/dbraw/zinc/16/93/80/556169380.db2.gz KTAQAJHXFBCTII-UHFFFAOYSA-N 0 0 462.940 4.347 50 0 JIAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2Br)nc2ncccc2c1=O ZINC000012976709 556169571 /nfs/dbraw/zinc/16/95/71/556169571.db2.gz ZNHJMJZBNHKDBR-UHFFFAOYSA-N 0 0 498.200 4.067 50 0 JIAARN COC(=O)CCCCCNC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000024987495 556170031 /nfs/dbraw/zinc/17/00/31/556170031.db2.gz MPBDPTLFQNXBNJ-HNNXBMFYSA-N 0 0 473.620 4.123 50 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556174290 /nfs/dbraw/zinc/17/42/90/556174290.db2.gz IFKZHYCXBVTNFF-UHFFFAOYSA-N 0 0 468.044 4.098 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N[C@H]3CCSc4ccccc43)ccc2Cl)C[C@@H](C)O1 ZINC000012981558 556174587 /nfs/dbraw/zinc/17/45/87/556174587.db2.gz BKPHMNOZQRZLKQ-CLCXKQKWSA-N 0 0 481.039 4.105 50 0 JIAARN COc1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000016903012 556175088 /nfs/dbraw/zinc/17/50/88/556175088.db2.gz XLGGBAHDRDQTIE-WIYYLYMNSA-N 0 0 475.520 4.144 50 0 JIAARN COc1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000016903008 556175099 /nfs/dbraw/zinc/17/50/99/556175099.db2.gz XLGGBAHDRDQTIE-GHTZIAJQSA-N 0 0 475.520 4.144 50 0 JIAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3C[C@@H](O)COc3ccccc3)CC2=O)cc1 ZINC000016903206 556175742 /nfs/dbraw/zinc/17/57/42/556175742.db2.gz FAAAWRJWDHKUJN-PZJWPPBQSA-N 0 0 457.530 4.005 50 0 JIAARN Cc1ccccc1OC[C@H](O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000016903305 556175981 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COc1ccc(-c2nc3scc(CCNC(=O)c4ccccc4Br)n3n2)cc1 ZINC000016954885 556186330 /nfs/dbraw/zinc/18/63/30/556186330.db2.gz SHLBIWAQQHTGEP-UHFFFAOYSA-N 0 0 457.353 4.201 50 0 JIAARN Cc1ccc(CCC2CCN(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc1 ZINC000012994895 556187042 /nfs/dbraw/zinc/18/70/42/556187042.db2.gz WBYNZEWSQAOSNU-UHFFFAOYSA-N 0 0 454.636 4.267 50 0 JIAARN CN(CC(=O)Nc1nc(-c2ccccc2)cs1)CC(=O)Nc1ccccc1Br ZINC000012995386 556187798 /nfs/dbraw/zinc/18/77/98/556187798.db2.gz GGJPFDDQVFTQJB-UHFFFAOYSA-N 0 0 459.369 4.082 50 0 JIAARN Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)nc2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000016957078 556188011 /nfs/dbraw/zinc/18/80/11/556188011.db2.gz BQKBMEDLKSZPCJ-HXUWFJFHSA-N 0 0 460.965 4.314 50 0 JIAARN C[C@H](c1nc(-c2ccccc2)no1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012995659 556188364 /nfs/dbraw/zinc/18/83/64/556188364.db2.gz GUVVAQQJENJBRQ-CQSZACIVSA-N 0 0 467.378 4.111 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)c2ccc(OC)c(OC)c2)n1 ZINC000016959584 556189578 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COC(=O)c1ccccc1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C(C)C ZINC000017113740 556218616 /nfs/dbraw/zinc/21/86/16/556218616.db2.gz MZLOJVSXEOQMTR-UHFFFAOYSA-N 0 0 476.558 4.490 50 0 JIAARN Cc1cc(SCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)c(C)cc1Br ZINC000025517418 556218809 /nfs/dbraw/zinc/21/88/09/556218809.db2.gz MHSBAKUTGPTBFU-UHFFFAOYSA-N 0 0 451.386 4.172 50 0 JIAARN Cc1ccccc1OCC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 ZINC000017136068 556223441 /nfs/dbraw/zinc/22/34/41/556223441.db2.gz KKRTUPIHCJPNHT-UHFFFAOYSA-N 0 0 454.523 4.293 50 0 JIAARN Cc1c(O)ccc2c(COC(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@H]4C)cc3)cc(=O)oc12 ZINC000013030263 556225367 /nfs/dbraw/zinc/22/53/67/556225367.db2.gz YVSRTECOWNRLGL-IAGOWNOFSA-N 0 0 479.529 4.332 50 0 JIAARN COc1ccc([C@H]2CCCN2C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)cc1OC ZINC000025616449 556227784 /nfs/dbraw/zinc/22/77/84/556227784.db2.gz GBFMRWGJKFMCCT-QGZVFWFLSA-N 0 0 467.591 4.487 50 0 JIAARN CCOC(=O)c1sc2[nH]c([C@H](C)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc(=O)c2c1C 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/nfs/dbraw/zinc/23/64/56/556236456.db2.gz RDZBSTYOUYYOQL-AUSIDOKSSA-N 0 0 462.502 4.064 50 0 JIAARN O=C(c1cc(-c2cccs2)nc2ccccc21)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000025814954 556237173 /nfs/dbraw/zinc/23/71/73/556237173.db2.gz HBWKDROCVHPMFT-MRXNPFEDSA-N 0 0 452.557 4.386 50 0 JIAARN C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccc(-c2ccccc2)cc1 ZINC000013039316 556239828 /nfs/dbraw/zinc/23/98/28/556239828.db2.gz MDLNPSBCRUBLKV-AWEZNQCLSA-N 0 0 459.365 4.255 50 0 JIAARN COc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)cc(OC)c1 ZINC000026090233 556240965 /nfs/dbraw/zinc/24/09/65/556240965.db2.gz YYHMVNQYBPNLBF-UHFFFAOYSA-N 0 0 453.545 4.195 50 0 JIAARN CCOC(=O)c1c(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(C)cc2)sc2c1CC[C@H](C)C2 ZINC000013041078 556245645 /nfs/dbraw/zinc/24/56/45/556245645.db2.gz YSWMXOVTOLYOOS-DLBZAZTESA-N 0 0 471.623 4.256 50 0 JIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 ZINC000017245275 556245907 /nfs/dbraw/zinc/24/59/07/556245907.db2.gz 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CCc1cccc(CC)c1NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000013057205 556252054 /nfs/dbraw/zinc/25/20/54/556252054.db2.gz DQFNNVXIEJAIMI-UHFFFAOYSA-N 0 0 484.449 4.063 50 0 JIAARN CCc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)CC2=O)cc1 ZINC000013058527 556253952 /nfs/dbraw/zinc/25/39/52/556253952.db2.gz GXQUJVWWSDERLR-FQEVSTJZSA-N 0 0 460.603 4.255 50 0 JIAARN CCOC(=O)c1c(NC(=O)CN(C)Cc2ccc(OC)c(OC)c2)sc2c1CC[C@H](C)C2 ZINC000013058585 556254234 /nfs/dbraw/zinc/25/42/34/556254234.db2.gz PEOSSJYYSSILSF-HNNXBMFYSA-N 0 0 460.596 4.137 50 0 JIAARN CCOc1ccccc1NC(=O)CSc1cn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c2ccccc12 ZINC000017316000 556258117 /nfs/dbraw/zinc/25/81/17/556258117.db2.gz QDXCRLMLIDXOII-KDURUIRLSA-N 0 0 481.618 4.407 50 0 JIAARN Cc1csc(=O)n1CC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000017346521 556259106 /nfs/dbraw/zinc/25/91/06/556259106.db2.gz JFVDMYLDDCLELW-MRXNPFEDSA-N 0 0 494.436 4.316 50 0 JIAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000013063248 556259563 /nfs/dbraw/zinc/25/95/63/556259563.db2.gz GULHOOIFCIBCEC-QGZVFWFLSA-N 0 0 450.564 4.400 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)/C=C/c2ccccc2)cc1 ZINC000026688573 556259648 /nfs/dbraw/zinc/25/96/48/556259648.db2.gz KCYPJZOVJYMULA-SKELBMGJSA-N 0 0 483.524 4.259 50 0 JIAARN COc1ccc(/C=C/C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000026688547 556259658 /nfs/dbraw/zinc/25/96/58/556259658.db2.gz VQCJCQRPZIUZIU-OMHSXHNCSA-N 0 0 471.513 4.100 50 0 JIAARN CCOC(=O)N1CCN(Cn2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)c2=S)CC1 ZINC000013063443 556260146 /nfs/dbraw/zinc/26/01/46/556260146.db2.gz XBWPRWCCWDFYMM-UHFFFAOYSA-N 0 0 457.987 4.455 50 0 JIAARN Cc1nc2cc(C(=O)OCC(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2n1-c1ccccc1 ZINC000017702627 556263890 /nfs/dbraw/zinc/26/38/90/556263890.db2.gz UFPHKAZRUJVSGX-UHFFFAOYSA-N 0 0 468.513 4.256 50 0 JIAARN O=C(N[C@@H](N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000026841548 556264071 /nfs/dbraw/zinc/26/40/71/556264071.db2.gz KVMJSDSCLAGSAK-CFZJUORYSA-N 0 0 475.203 4.047 50 0 biogenic JIAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(Br)cc1)C2=O ZINC000013068849 556265361 /nfs/dbraw/zinc/26/53/61/556265361.db2.gz VGWJPSADTIAFDQ-UHFFFAOYSA-N 0 0 450.377 4.305 50 0 JIAARN COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C)Cc2cccs2)cc1 ZINC000013069349 556265754 /nfs/dbraw/zinc/26/57/54/556265754.db2.gz RVLPXQPAMDSVPA-GOSISDBHSA-N 0 0 472.632 4.281 50 0 JIAARN CCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000013069560 556266167 /nfs/dbraw/zinc/26/61/67/556266167.db2.gz WBLUTKUBSMGAHR-UHFFFAOYSA-N 0 0 484.181 4.224 50 0 JIAARN COc1ccc(C(=O)N(C)c2nc3ccccc3s2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000026958202 556266505 /nfs/dbraw/zinc/26/65/05/556266505.db2.gz KZIQZLWTYFLBSP-HOTGVXAUSA-N 0 0 473.620 4.248 50 0 JIAARN O=C(Cc1ccccc1)OCCCCN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000026955928 556266561 /nfs/dbraw/zinc/26/65/61/556266561.db2.gz RCLUEXVKYGMXSU-XQOSCOKLSA-N 0 0 465.549 4.445 50 0 JIAARN COc1ccc(C(=O)N(C)c2nc3ccccc3s2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000026958192 556266582 /nfs/dbraw/zinc/26/65/82/556266582.db2.gz KZIQZLWTYFLBSP-HZPDHXFCSA-N 0 0 473.620 4.248 50 0 JIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000017795743 556266894 /nfs/dbraw/zinc/26/68/94/556266894.db2.gz RWZSBSKJBCGVNO-UHFFFAOYSA-N 0 0 493.416 4.200 50 0 JIAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000017847813 556268790 /nfs/dbraw/zinc/26/87/90/556268790.db2.gz MIWXPSMNKFKVNC-UHFFFAOYSA-N 0 0 467.296 4.159 50 0 JIAARN Cc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000017888256 556270099 /nfs/dbraw/zinc/27/00/99/556270099.db2.gz YOXALMGIRXSESP-UHFFFAOYSA-N 0 0 476.558 4.075 50 0 JIAARN CCC(=O)N[C@H](Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1)C(Cl)(Cl)Cl ZINC000027025751 556272535 /nfs/dbraw/zinc/27/25/35/556272535.db2.gz HLZAPUSSWJFFPX-JVCXIRSZSA-N 0 0 496.803 4.058 50 0 JIAARN COc1ccc(-c2coc3cc(OCC(=O)NCCc4ccc(OC)c(OC)c4)ccc3c2=O)cc1 ZINC000027102306 556274107 /nfs/dbraw/zinc/27/41/07/556274107.db2.gz CQCNBDPMWAWZFV-UHFFFAOYSA-N 0 0 489.524 4.224 50 0 JIAARN CCc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)[NH+](C)C)cc1 ZINC000018017135 556276751 /nfs/dbraw/zinc/27/67/51/556276751.db2.gz WEBRAEPSXNKFBQ-DEOSSOPVSA-N 0 0 481.618 4.091 50 0 JIAARN O=C(N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl)c1cccc(Br)c1 ZINC000027469158 556279094 /nfs/dbraw/zinc/27/90/94/556279094.db2.gz KLALQXLUTPNDHG-ZDUSSCGKSA-N 0 0 482.618 4.257 50 0 JIAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc(-n2ccnc2)cc1 ZINC000018048737 556280712 /nfs/dbraw/zinc/28/07/12/556280712.db2.gz LJADNNHLTDWCNC-KRWDZBQOSA-N 0 0 464.522 4.303 50 0 JIAARN COc1cc(-c2nc3ccccc3c(=O)n2NC(=O)Cc2ccc(Cl)cc2)cc(OC)c1OC ZINC000027527467 556288067 /nfs/dbraw/zinc/28/80/67/556288067.db2.gz VDKCHWZDBRPBJO-UHFFFAOYSA-N 0 0 479.920 4.056 50 0 JIAARN CCOc1cc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OCC(=O)N(C(C)C)C(C)C 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/nfs/dbraw/zinc/30/42/83/556304283.db2.gz NJEHUVNHKIDSPG-HSZRJFAPSA-N 0 0 462.893 4.290 50 0 JIAARN O=C(c1ccc(Br)o1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000027743381 556304760 /nfs/dbraw/zinc/30/47/60/556304760.db2.gz MXMMHXUVHOGJNC-LBPRGKRZSA-N 0 0 467.168 4.178 50 0 JIAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 ZINC000027744859 556305064 /nfs/dbraw/zinc/30/50/64/556305064.db2.gz UPEIUZMKNPENDU-LJQANCHMSA-N 0 0 497.573 4.318 50 0 JIAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccco2)c(C(=O)Nc2ccc(F)cc2)n1 ZINC000027749248 556305667 /nfs/dbraw/zinc/30/56/67/556305667.db2.gz OCIWSAWFQOECOE-UHFFFAOYSA-N 0 0 484.509 4.054 50 0 JIAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccco2)c(C(=O)Nc2ccccc2F)n1 ZINC000027795015 556307886 /nfs/dbraw/zinc/30/78/86/556307886.db2.gz KJFHQWFYFDGOFG-UHFFFAOYSA-N 0 0 484.509 4.054 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCO[C@@H](c4ccccc4)C3)c2)cc1 ZINC000027900043 556309552 /nfs/dbraw/zinc/30/95/52/556309552.db2.gz NQWZNJKBENTROB-RUZDIDTESA-N 0 0 480.586 4.408 50 0 JIAARN O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccc2c(c1)CCC(=O)N2 ZINC000013110073 556310787 /nfs/dbraw/zinc/31/07/87/556310787.db2.gz RGGMXGOEZJSDLG-INIZCTEOSA-N 0 0 454.577 4.045 50 0 JIAARN CCNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000013112456 556313808 /nfs/dbraw/zinc/31/38/08/556313808.db2.gz ZFDABEGAXORZOJ-LBPRGKRZSA-N 0 0 459.369 4.386 50 0 JIAARN COc1ccc(NC(=O)c2ccc(COC(=O)C3=NN(c4ccccc4)C(=O)CC3)cc2)cc1 ZINC000013112662 556314714 /nfs/dbraw/zinc/31/47/14/556314714.db2.gz JZHHTELIRUOZGF-UHFFFAOYSA-N 0 0 457.486 4.174 50 0 JIAARN O=C(c1oc2ccccc2c1COc1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013112980 556316169 /nfs/dbraw/zinc/31/61/69/556316169.db2.gz CCFPSFRTASDLEJ-UHFFFAOYSA-N 0 0 490.581 4.300 50 0 JIAARN O=C1C[C@H](N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1Cc1cccs1 ZINC000018271558 556317956 /nfs/dbraw/zinc/31/79/56/556317956.db2.gz VCQZFBKXDXOXGX-DEOSSOPVSA-N 0 0 460.599 4.024 50 0 JIAARN O=C([C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1)N1CCOCC1 ZINC000013114222 556318468 /nfs/dbraw/zinc/31/84/68/556318468.db2.gz TWWQZLLSYCZYHF-OAHLLOKOSA-N 0 0 456.877 4.094 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCCc3ccccc32)cc1 ZINC000013115059 556321727 /nfs/dbraw/zinc/32/17/27/556321727.db2.gz PAPNBBSWNMNJLA-UHFFFAOYSA-N 0 0 450.560 4.260 50 0 JIAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000018832898 556324532 /nfs/dbraw/zinc/32/45/32/556324532.db2.gz ATXKMIWLTBMOIQ-UHFFFAOYSA-N 0 0 488.997 4.227 50 0 JIAARN O=C(OCc1cc(-c2ccco2)on1)c1cccc(C(=O)OCc2cc(-c3ccco3)on2)n1 ZINC000018970696 556326138 /nfs/dbraw/zinc/32/61/38/556326138.db2.gz GFDVASBQMHDHGG-UHFFFAOYSA-N 0 0 461.386 4.292 50 0 JIAARN COc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)N2CCCC2)cc1 ZINC000028289915 556327888 /nfs/dbraw/zinc/32/78/88/556327888.db2.gz PAEMSBSILZQIOG-LJQANCHMSA-N 0 0 471.351 4.131 50 0 JIAARN COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)N2CCCC2)cc1 ZINC000028290786 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COc1ccc(NC(=O)CN2c3nnnn3[C@H](c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 ZINC000064792908 569629397 /nfs/dbraw/zinc/62/93/97/569629397.db2.gz DOJGSJSPJBYGEZ-QHCPKHFHSA-N 0 0 472.936 4.424 50 0 JIAARN Nc1c2cccnc2sc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000064794543 569629939 /nfs/dbraw/zinc/62/99/39/569629939.db2.gz TZTVLANCZLYRJK-HNNXBMFYSA-N 0 0 484.582 4.186 50 0 JIAARN Nc1c2cccnc2sc1-c1nnc(SCC(=O)Nc2cccc(F)c2)n1C[C@@H]1CCCO1 ZINC000064794559 569629964 /nfs/dbraw/zinc/62/99/64/569629964.db2.gz HUCQFUSLDMSOQJ-HNNXBMFYSA-N 0 0 484.582 4.186 50 0 JIAARN COc1cc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc(OC)c1O ZINC000064798492 569630642 /nfs/dbraw/zinc/63/06/42/569630642.db2.gz SLFZFORYBWZKQD-OAHLLOKOSA-N 0 0 459.545 4.086 50 0 JIAARN CC[C@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)C(C)C ZINC000033719858 569631909 /nfs/dbraw/zinc/63/19/09/569631909.db2.gz WCVYFMQJQSIACK-IBGZPJMESA-N 0 0 458.599 4.460 50 0 JIAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2Cc2ccccc2)cc1 ZINC000064815016 569632342 /nfs/dbraw/zinc/63/23/42/569632342.db2.gz RBXDFYQMPNUKNS-HHHXNRCGSA-N 0 0 486.597 4.351 50 0 JIAARN COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4ccco4)cc3C(=O)N2c2ccccc2C)cc1 ZINC000064816002 569632917 /nfs/dbraw/zinc/63/29/17/569632917.db2.gz KJFOLJOXHAXSEG-MHZLTWQESA-N 0 0 470.529 4.196 50 0 JIAARN Cc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2ccccc2)c1C ZINC000064816200 569633252 /nfs/dbraw/zinc/63/32/52/569633252.db2.gz MLHYUHZIFWMZGO-MHZLTWQESA-N 0 0 454.530 4.495 50 0 JIAARN COc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC(C)(C)C)cc1Cl ZINC000064816308 569633341 /nfs/dbraw/zinc/63/33/41/569633341.db2.gz FQQMMLJODDKKCI-HSZRJFAPSA-N 0 0 456.930 4.139 50 0 JIAARN COc1ccc(CN2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2ccccc2C)cc1 ZINC000064816360 569633344 /nfs/dbraw/zinc/63/33/44/569633344.db2.gz SWZDGEJWJNGTTQ-NDEPHWFRSA-N 0 0 484.556 4.191 50 0 JIAARN Cc1ccc(CN2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2ccccc2C)cc1 ZINC000064816362 569633357 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KVCSTZHLZMLOPB-UHFFFAOYSA-N 0 0 463.847 4.479 50 0 JIAARN CCOc1ccccc1NC(=O)Cn1c2ccccc2n2c(-c3ccc(C)cc3)nnc2c1=O ZINC000064871770 569640362 /nfs/dbraw/zinc/64/03/62/569640362.db2.gz OHRRCUQUMXEMAW-UHFFFAOYSA-N 0 0 453.502 4.057 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)cc1 ZINC000064872054 569640497 /nfs/dbraw/zinc/64/04/97/569640497.db2.gz UDWNGIPHLUZIOO-UHFFFAOYSA-N 0 0 462.524 4.141 50 0 JIAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000064871999 569640507 /nfs/dbraw/zinc/64/05/07/569640507.db2.gz PUOQIMPOROBKID-UHFFFAOYSA-N 0 0 460.577 4.405 50 0 JIAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000064872182 569640594 /nfs/dbraw/zinc/64/05/94/569640594.db2.gz XGUTVOGBYCGTEU-UHFFFAOYSA-N 0 0 474.560 4.011 50 0 JIAARN COc1ccc(CNC(=O)c2ccc(-n3nc(OCc4ccc(Cl)cc4)ccc3=O)cc2)cc1 ZINC000064873136 569640732 /nfs/dbraw/zinc/64/07/32/569640732.db2.gz VGUAFVCPJPWFAD-UHFFFAOYSA-N 0 0 475.932 4.404 50 0 JIAARN O=C(NCCc1ccccc1)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000064873163 569640902 /nfs/dbraw/zinc/64/09/02/569640902.db2.gz FMTYXQHKODODHZ-UHFFFAOYSA-N 0 0 459.933 4.437 50 0 JIAARN Cc1cccc(NC(=O)CN2CCN(C(=O)c3cc(-c4cccnc4)nc4ccccc43)CC2)c1C ZINC000034675275 569640955 /nfs/dbraw/zinc/64/09/55/569640955.db2.gz LGEFROAVRYLMSX-UHFFFAOYSA-N 0 0 479.584 4.310 50 0 JIAARN COc1ccc(COc2ccc(=O)n(-c3ccc(C(=O)NCCc4ccccc4Cl)cc3)n2)cc1 ZINC000064873353 569641032 /nfs/dbraw/zinc/64/10/32/569641032.db2.gz FLWVEYOWMYIPIV-UHFFFAOYSA-N 0 0 489.959 4.446 50 0 biogenic JIAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](N2CCN(CCOc3ccccc3)CC2)C1 ZINC000034676528 569641338 /nfs/dbraw/zinc/64/13/38/569641338.db2.gz HMTZVMYKGMHOCW-FQEVSTJZSA-N 0 0 462.421 4.295 50 0 JIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1coc(CN2CCN(Cc3ccc(F)cc3F)CC2)n1 ZINC000034678016 569642376 /nfs/dbraw/zinc/64/23/76/569642376.db2.gz VTYLBQQXUGIFKY-UHFFFAOYSA-N 0 0 494.464 4.219 50 0 JIAARN O=C(c1ccc(Br)o1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1 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TWCGNZHDGXYDRU-UHFFFAOYSA-N 0 0 467.573 4.416 50 0 JIAARN Cc1ccc(NC(=O)N2CCN(c3nc4ccccc4n(Cc4ccccc4)c3=O)CC2)cc1 ZINC000064926052 569646690 /nfs/dbraw/zinc/64/66/90/569646690.db2.gz BSDVYIDUTYCYBY-UHFFFAOYSA-N 0 0 453.546 4.107 50 0 JIAARN O=c1c2c(ncn2Cc2ccccc2)n(-c2cccc(Cl)c2)c(=O)n1Cc1ccccc1F ZINC000034692920 569646701 /nfs/dbraw/zinc/64/67/01/569646701.db2.gz SFPSSSUAPONZSZ-UHFFFAOYSA-N 0 0 460.896 4.238 50 0 JIAARN Cc1ccc(Cn2c3ccccc3nc(N3CCN(C(=O)Nc4ccccc4F)CC3)c2=O)cc1 ZINC000064926345 569646801 /nfs/dbraw/zinc/64/68/01/569646801.db2.gz TURZRDJZSWTAID-UHFFFAOYSA-N 0 0 471.536 4.246 50 0 JIAARN CCCSCCCNC(=O)[C@@H]1CCCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)C1 ZINC000064926546 569646866 /nfs/dbraw/zinc/64/68/66/569646866.db2.gz RXABVOWILKTRRL-JOCHJYFZSA-N 0 0 478.662 4.311 50 0 JIAARN CCc1ccc(-n2nc(N3CCC(C(=O)N[C@@H](C)CCc4ccccc4)CC3)ccc2=O)cc1 ZINC000064927318 569646967 /nfs/dbraw/zinc/64/69/67/569646967.db2.gz UKHZGWHTXSPJLV-NRFANRHFSA-N 0 0 458.606 4.149 50 0 JIAARN 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/nfs/dbraw/zinc/67/67/00/569676700.db2.gz LEPIMCQJDRJKRB-OAHLLOKOSA-N 0 0 460.939 4.326 50 0 JIAARN COc1cc([C@@H]2c3cnn(C(C)(C)C)c3N=C3NC(=O)N(c4ccccc4)[C@H]32)cc(OC)c1OC ZINC000066091487 569677016 /nfs/dbraw/zinc/67/70/16/569677016.db2.gz ZZUBIROEKNZYOX-RTWAWAEBSA-N 0 0 475.549 4.438 50 0 JIAARN COc1ccc(-c2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2CC(C)C)cc1OC ZINC000067190002 569677227 /nfs/dbraw/zinc/67/72/27/569677227.db2.gz VWUNDCUHFIXZEI-UHFFFAOYSA-N 0 0 451.552 4.147 50 0 JIAARN Cn1c2c(c(-c3ccc(F)cc3)n3c2[C@@H](c2cccs2)Oc2ccccc2-3)c(=O)n(C)c1=O ZINC000035178630 569677465 /nfs/dbraw/zinc/67/74/65/569677465.db2.gz KZKQQNJWMAIBHH-HSZRJFAPSA-N 0 0 459.502 4.377 50 0 JIAARN O=C(CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O)c1ccc(Br)s1 ZINC000067206771 569678205 /nfs/dbraw/zinc/67/82/05/569678205.db2.gz PKDZKYAXXPMUCM-UHFFFAOYSA-N 0 0 461.362 4.150 50 0 JIAARN Cc1cc(NC(=O)Cn2ncn3nc(-c4cccc5ccccc54)cc3c2=O)ccc1Br ZINC000067208658 569678667 /nfs/dbraw/zinc/67/86/67/569678667.db2.gz QOJBIHXRUONJDN-UHFFFAOYSA-N 0 0 488.345 4.421 50 0 JIAARN Cc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000067209277 569678762 /nfs/dbraw/zinc/67/87/62/569678762.db2.gz KRSHNXXVXTUSQQ-UHFFFAOYSA-N 0 0 494.617 4.336 50 0 JIAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000067209426 569678773 /nfs/dbraw/zinc/67/87/73/569678773.db2.gz WCDHMOYXVYZJRJ-UHFFFAOYSA-N 0 0 494.617 4.336 50 0 JIAARN CC(=O)c1cc2c(cc1NC(=O)CSc1nc3ccsc3c(=O)n1-c1ccccc1F)OCO2 ZINC000067216243 569678859 /nfs/dbraw/zinc/67/88/59/569678859.db2.gz FSMLDEIUXAJGPE-UHFFFAOYSA-N 0 0 497.529 4.248 50 0 JIAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(CCCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000035278870 569679364 /nfs/dbraw/zinc/67/93/64/569679364.db2.gz ZBINPDZIHWALNY-UHFFFAOYSA-N 0 0 499.395 4.122 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000067218195 569679984 /nfs/dbraw/zinc/67/99/84/569679984.db2.gz NJXVVCUZDMJVAA-UHFFFAOYSA-N 0 0 490.368 4.476 50 0 JIAARN CSc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C)c3C)c2=O)c1 ZINC000067218425 569680097 /nfs/dbraw/zinc/68/00/97/569680097.db2.gz DFKBOMXXGKPVGX-UHFFFAOYSA-N 0 0 451.573 4.191 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C)c3C)c2=O)c(Cl)c1 ZINC000067218398 569680111 /nfs/dbraw/zinc/68/01/11/569680111.db2.gz CDQCYXNNCDNKBR-UHFFFAOYSA-N 0 0 453.951 4.431 50 0 JIAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(C(F)(F)F)c3)c2=O)c(C)c1 ZINC000067218558 569680127 /nfs/dbraw/zinc/68/01/27/569680127.db2.gz MLDTYJCDNUCXHS-UHFFFAOYSA-N 0 0 473.476 4.488 50 0 JIAARN Cc1cccc(-c2noc(-c3cccn4c(=O)n(CC(=O)Nc5cc(Cl)cc(Cl)c5)nc34)n2)c1 ZINC000067218886 569680449 /nfs/dbraw/zinc/68/04/49/569680449.db2.gz LCXUZOHUHJWDSR-UHFFFAOYSA-N 0 0 495.326 4.467 50 0 JIAARN Cc1ccc(NC(=O)Cn2nc3c(-c4nc(-c5ccc(Cl)cc5)no4)cccn3c2=O)c(C)c1 ZINC000067218947 569680463 /nfs/dbraw/zinc/68/04/63/569680463.db2.gz JDKIBEFPTPHASG-UHFFFAOYSA-N 0 0 474.908 4.122 50 0 JIAARN Cc1ccc(NC(=O)Cn2nc3c(-c4nc(-c5cccc(Cl)c5)no4)cccn3c2=O)c(C)c1 ZINC000067219390 569680719 /nfs/dbraw/zinc/68/07/19/569680719.db2.gz HNUDYLHJSUDNBG-UHFFFAOYSA-N 0 0 474.908 4.122 50 0 JIAARN Cc1cc2nc(SCC(=O)NCc3ccc(F)c(Cl)c3)n(-c3ccccc3)c(=O)c2[nH]1 ZINC000067236901 569681490 /nfs/dbraw/zinc/68/14/90/569681490.db2.gz NQJMEHZOFVYSNU-UHFFFAOYSA-N 0 0 456.930 4.223 50 0 JIAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000067238981 569681631 /nfs/dbraw/zinc/68/16/31/569681631.db2.gz WOEJRQAABKQTBT-GFCCVEGCSA-N 0 0 464.975 4.405 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2C[C@H]2CCCO2)c1 ZINC000067240026 569681812 /nfs/dbraw/zinc/68/18/12/569681812.db2.gz VSJLCKXCCHNFRZ-MRXNPFEDSA-N 0 0 495.557 4.070 50 0 JIAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@H](C)c1ccccc1 ZINC000035365912 569682685 /nfs/dbraw/zinc/68/26/85/569682685.db2.gz NGOOMVFRDKJENK-BREKEBJCSA-N 0 0 479.646 4.443 50 0 biogenic JIAARN Cc1cccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nc4ccccc4n3c2=O)c1C ZINC000035371857 569682880 /nfs/dbraw/zinc/68/28/80/569682880.db2.gz RCYKBOCCNAZVQJ-UHFFFAOYSA-N 0 0 453.502 4.400 50 0 JIAARN COc1ccccc1C(=O)Nc1ccccc1OCc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000035372111 569682952 /nfs/dbraw/zinc/68/29/52/569682952.db2.gz BKIGMSBRAMGWGS-UHFFFAOYSA-N 0 0 461.543 4.475 50 0 JIAARN Cc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCN(c5ccc(Cl)cc5)CC4)ccn3n2)cc1C ZINC000067262295 569683009 /nfs/dbraw/zinc/68/30/09/569683009.db2.gz PACOZHSBPSCNFU-UHFFFAOYSA-N 0 0 490.007 4.172 50 0 JIAARN O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)N1CC=C(c2ccccc2)CC1 ZINC000067262830 569683123 /nfs/dbraw/zinc/68/31/23/569683123.db2.gz AFLOCUWXSNVTNJ-UHFFFAOYSA-N 0 0 464.363 4.379 50 0 JIAARN CCc1ccc([C@@H]2OCC(C)(C)n3c(-c4ccc(OC)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000035373166 569683623 /nfs/dbraw/zinc/68/36/23/569683623.db2.gz DWARQSILEWZHBI-VWLOTQADSA-N 0 0 473.573 4.131 50 0 JIAARN Cn1c2c(c(-c3ccc(Br)cc3)n3c2[C@@H](c2ccccc2)OCC3(C)C)c(=O)n(C)c1=O ZINC000035373251 569683700 /nfs/dbraw/zinc/68/37/00/569683700.db2.gz TUSVJIGQEDJBLC-JOCHJYFZSA-N 0 0 494.389 4.323 50 0 JIAARN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 ZINC000067286730 569684087 /nfs/dbraw/zinc/68/40/87/569684087.db2.gz DCCUAOKNCQZTHA-SANMLTNESA-N 0 0 491.588 4.054 50 0 JIAARN COc1ccc(CCNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc32)cc1OC ZINC000067288418 569684936 /nfs/dbraw/zinc/68/49/36/569684936.db2.gz JIWXUEHYURKDOO-UHFFFAOYSA-N 0 0 455.942 4.032 50 0 JIAARN CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)c1 ZINC000067291140 569685305 /nfs/dbraw/zinc/68/53/05/569685305.db2.gz VZBWFEAFNWFJEA-UHFFFAOYSA-N 0 0 487.537 4.107 50 0 JIAARN CCN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000067291006 569685332 /nfs/dbraw/zinc/68/53/32/569685332.db2.gz FQNMAONTXIYTDE-UHFFFAOYSA-N 0 0 473.554 4.319 50 0 JIAARN Cc1cc2nc(COc3cccc(NC(=O)c4ccccc4Br)c3)cc(=O)n2o1 ZINC000035378576 569685747 /nfs/dbraw/zinc/68/57/47/569685747.db2.gz QGWNUZBIYJLVHK-UHFFFAOYSA-N 0 0 454.280 4.190 50 0 JIAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCc1cccc(Br)c1 ZINC000067299535 569686434 /nfs/dbraw/zinc/68/64/34/569686434.db2.gz ICDLQNHWXDWWLW-CYBMUJFWSA-N 0 0 463.401 4.175 50 0 JIAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c1CCO ZINC000067300496 569686437 /nfs/dbraw/zinc/68/64/37/569686437.db2.gz YSJYWGBPHMDJOU-UHFFFAOYSA-N 0 0 465.859 4.064 50 0 JIAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCc1cccc(Br)c1 ZINC000067299539 569686467 /nfs/dbraw/zinc/68/64/67/569686467.db2.gz ICDLQNHWXDWWLW-ZDUSSCGKSA-N 0 0 463.401 4.175 50 0 JIAARN O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1ccc(F)cc1F ZINC000067318530 569687069 /nfs/dbraw/zinc/68/70/69/569687069.db2.gz ZUYQWLAIWWKEQF-UHFFFAOYSA-N 0 0 459.412 4.030 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)Nc2cnc(N3CCC[C@@H](C[NH+]4CCCC4)C3)c(C(=O)[O-])c2)cc1 ZINC000035397837 569688362 /nfs/dbraw/zinc/68/83/62/569688362.db2.gz PONNJJHIKLFESH-IBGZPJMESA-N 0 0 486.638 4.016 50 0 JIAARN COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccccc3Cl)c2=O)cc1Cl ZINC000067673508 569689001 /nfs/dbraw/zinc/68/90/01/569689001.db2.gz SYXHZCKJFYNJJA-UHFFFAOYSA-N 0 0 490.368 4.227 50 0 JIAARN O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21)Nc1ccccc1C(F)(F)F ZINC000067689504 569689462 /nfs/dbraw/zinc/68/94/62/569689462.db2.gz FHCOQWIHVVTSRV-UHFFFAOYSA-N 0 0 473.476 4.125 50 0 JIAARN Cc1ccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)c(Br)c1 ZINC000067689516 569689541 /nfs/dbraw/zinc/68/95/41/569689541.db2.gz YRHDNKACALCMLS-UHFFFAOYSA-N 0 0 498.402 4.177 50 0 JIAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000067689887 569690486 /nfs/dbraw/zinc/69/04/86/569690486.db2.gz QMLYKVKCAVTJDA-HXUWFJFHSA-N 0 0 477.611 4.411 50 0 JIAARN Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(F)ccc3Cl)c2=O)cc1C ZINC000067695051 569690927 /nfs/dbraw/zinc/69/09/27/569690927.db2.gz PXZXIBXDBBEIPO-UHFFFAOYSA-N 0 0 471.941 4.321 50 0 JIAARN O=C(CN1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035404146 569691630 /nfs/dbraw/zinc/69/16/30/569691630.db2.gz HOMDMAKSSZKCKH-UHFFFAOYSA-N 0 0 495.549 4.329 50 0 JIAARN O=C(CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000035404534 569691639 /nfs/dbraw/zinc/69/16/39/569691639.db2.gz CNPUZDCRMICBRA-UHFFFAOYSA-N 0 0 479.987 4.103 50 0 JIAARN C[C@@H](COc1ccc(F)cc1F)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000068812570 569692165 /nfs/dbraw/zinc/69/21/65/569692165.db2.gz AEODSVMBSKUVPP-LBPRGKRZSA-N 0 0 477.309 4.383 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000069576756 569693230 /nfs/dbraw/zinc/69/32/30/569693230.db2.gz UWUQRWHPYHTXPC-UHFFFAOYSA-N 0 0 499.537 4.295 50 0 JIAARN CCc1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)Nc4ccc(OC)cc4)nc23)cc1 ZINC000035424880 569693320 /nfs/dbraw/zinc/69/33/20/569693320.db2.gz TVQPDGPJTZCIMO-UHFFFAOYSA-N 0 0 469.501 4.046 50 0 JIAARN CC(C)c1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)NCc4ccc(F)cc4)nc23)cc1 ZINC000035425014 569693359 /nfs/dbraw/zinc/69/33/59/569693359.db2.gz RSMPSFOMWRCGLF-UHFFFAOYSA-N 0 0 485.519 4.415 50 0 JIAARN 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CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)c2ccc3c(c2)OCO3)c1C ZINC000085711234 569714965 /nfs/dbraw/zinc/71/49/65/569714965.db2.gz OONYSFGDLMPQLN-UHFFFAOYSA-N 0 0 464.518 4.388 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)S(=O)(=O)c2ccc(OCC)cc2)c1C ZINC000085712541 569715185 /nfs/dbraw/zinc/71/51/85/569715185.db2.gz BKDRJEYUJANSLQ-UHFFFAOYSA-N 0 0 460.552 4.191 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000085712851 569715302 /nfs/dbraw/zinc/71/53/02/569715302.db2.gz VSAGRBXIUPMCSJ-UHFFFAOYSA-N 0 0 484.574 4.236 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(CC)cc2)c1C ZINC000085712875 569715509 /nfs/dbraw/zinc/71/55/09/569715509.db2.gz OKXURGRJFFEDSA-UHFFFAOYSA-N 0 0 498.601 4.490 50 0 JIAARN O=S(=O)(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCN(C2CCCCC2)CC1 ZINC000085822552 569715719 /nfs/dbraw/zinc/71/57/19/569715719.db2.gz IAZHLCMRFMFMRG-UHFFFAOYSA-N 0 0 452.580 4.043 50 0 JIAARN Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 ZINC000085942099 569716671 /nfs/dbraw/zinc/71/66/71/569716671.db2.gz DJCFFLPNZFIQAM-UHFFFAOYSA-N 0 0 469.954 4.149 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000089365464 569718193 /nfs/dbraw/zinc/71/81/93/569718193.db2.gz OOJCYEXWOJDGKB-UHFFFAOYSA-N 0 0 484.021 4.123 50 0 JIAARN Cc1cc(=O)oc2c(C)c(OC(=O)c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)ccc12 ZINC000089568510 569718966 /nfs/dbraw/zinc/71/89/66/569718966.db2.gz HPSBFGIWADUJGB-UHFFFAOYSA-N 0 0 475.522 4.380 50 0 JIAARN Cc1cc(C)c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(C)c1 ZINC000089568873 569719009 /nfs/dbraw/zinc/71/90/09/569719009.db2.gz UDGGSSJJEUJUHW-UHFFFAOYSA-N 0 0 469.028 4.017 50 0 JIAARN COc1ccc(CCNC(=O)[C@@H]2Cc3ccc(OC)cc3N3CCN(c4ccc(F)cc4)C[C@H]23)cc1 ZINC000035872049 569719034 /nfs/dbraw/zinc/71/90/34/569719034.db2.gz STIMHGARVFHNQG-IXCJQBJRSA-N 0 0 489.591 4.069 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 ZINC000089624043 569719076 /nfs/dbraw/zinc/71/90/76/569719076.db2.gz AYGXXFRNAPIWAF-UHFFFAOYSA-N 0 0 479.602 4.041 50 0 JIAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000089633468 569719292 /nfs/dbraw/zinc/71/92/92/569719292.db2.gz TYPSBKOIQVLVCJ-DEOSSOPVSA-N 0 0 484.021 4.335 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(OC)c(OC)cc3OC)ccc2C)cc1 ZINC000089651322 569719392 /nfs/dbraw/zinc/71/93/92/569719392.db2.gz QWKNJKOXOHIYGW-UHFFFAOYSA-N 0 0 486.546 4.083 50 0 JIAARN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000089690593 569719661 /nfs/dbraw/zinc/71/96/61/569719661.db2.gz KMHSSFWGPMXZKY-UHFFFAOYSA-N 0 0 492.626 4.368 50 0 JIAARN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000089775811 569719864 /nfs/dbraw/zinc/71/98/64/569719864.db2.gz HMXJPBODKBQCBI-SHQCIBLASA-N 0 0 477.649 4.211 50 0 JIAARN COc1ccc(CCN2Cc3cc(NC(=O)c4ccccc4OC)ccc3O[C@H](C)C2=O)cc1 ZINC000035884690 569720170 /nfs/dbraw/zinc/72/01/70/569720170.db2.gz GIUJDEPBKHUNAC-GOSISDBHSA-N 0 0 460.530 4.308 50 0 JIAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O)c1cc2ccccc2o1 ZINC000089904642 569720301 /nfs/dbraw/zinc/72/03/01/569720301.db2.gz SRJPZEJWUYDTTG-AMXDTQDGSA-N 0 0 460.317 4.384 50 0 JIAARN COc1ccccc1CN1Cc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc2O[C@H](C)C1=O ZINC000035885100 569720373 /nfs/dbraw/zinc/72/03/73/569720373.db2.gz SBJFYIIBQFIAKZ-QGZVFWFLSA-N 0 0 476.529 4.274 50 0 JIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000089955498 569720607 /nfs/dbraw/zinc/72/06/07/569720607.db2.gz ZWOXWHJEOSMLHP-OXQOHEQNSA-N 0 0 486.663 4.158 50 0 JIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000089955496 569720611 /nfs/dbraw/zinc/72/06/11/569720611.db2.gz ZWOXWHJEOSMLHP-OXJNMPFZSA-N 0 0 486.663 4.158 50 0 JIAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCN(c2ccccn2)CC1)oc1c3CCCC1 ZINC000094993085 569721461 /nfs/dbraw/zinc/72/14/61/569721461.db2.gz BUSPJFLBPXTSIQ-UHFFFAOYSA-N 0 0 471.557 4.403 50 0 JIAARN O=S(=O)(c1ccc(SC(F)(F)F)cc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000095377491 569722956 /nfs/dbraw/zinc/72/29/56/569722956.db2.gz XEGCHWIPXPKGDU-CQSZACIVSA-N 0 0 460.547 4.185 50 0 JIAARN CC(C)(C)C(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908260 569723957 /nfs/dbraw/zinc/72/39/57/569723957.db2.gz FJMWSGMBDRURCM-UHFFFAOYSA-N 0 0 454.578 4.101 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3ccccc3C)CC2)n1 ZINC000035908566 569724192 /nfs/dbraw/zinc/72/41/92/569724192.db2.gz IQQHYPPVPGVUAD-UHFFFAOYSA-N 0 0 454.578 4.347 50 0 JIAARN COc1cccc(CC(=O)Nc2ccc3c(c2)CN(Cc2cc(F)cc(F)c2)C(=O)[C@@H](C)O3)c1 ZINC000035909528 569724743 /nfs/dbraw/zinc/72/47/43/569724743.db2.gz WTNJNKJCSMJRAV-MRXNPFEDSA-N 0 0 466.484 4.464 50 0 JIAARN COCC(=O)N1CCN(c2nc(C(C)C)nc(C)c2Cc2ccc(Cl)cc2Cl)CC1 ZINC000095536074 569725636 /nfs/dbraw/zinc/72/56/36/569725636.db2.gz NFQIBDSIKVCEFA-UHFFFAOYSA-N 0 0 451.398 4.101 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCc4ccccc4)n3c2=O)nn1-c1ccccc1 ZINC000035911554 569726738 /nfs/dbraw/zinc/72/67/38/569726738.db2.gz JEAHQWFYQMOEOD-UHFFFAOYSA-N 0 0 483.597 4.127 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCc4ccccc4)n3c2=O)nn1-c1ccccc1C ZINC000035911644 569726853 /nfs/dbraw/zinc/72/68/53/569726853.db2.gz MHUXYUPROBLASX-UHFFFAOYSA-N 0 0 497.624 4.435 50 0 JIAARN CCCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccc(C)cc4)n3)c(=O)n12 ZINC000035911608 569726895 /nfs/dbraw/zinc/72/68/95/569726895.db2.gz RDYHIGDEVZGDES-UHFFFAOYSA-N 0 0 463.607 4.383 50 0 JIAARN CCCCOc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4cccc(OC)c4)no3)ccn2n1 ZINC000095609087 569727998 /nfs/dbraw/zinc/72/79/98/569727998.db2.gz OKAWCJZSTPKMOY-UHFFFAOYSA-N 0 0 471.517 4.449 50 0 JIAARN CCn1c(-c2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n[nH]2)cc2cc(OC)ccc21 ZINC000095614191 569728275 /nfs/dbraw/zinc/72/82/75/569728275.db2.gz MQWJGJZJPQEAMT-UHFFFAOYSA-N 0 0 450.495 4.338 50 0 JIAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000035925394 569728739 /nfs/dbraw/zinc/72/87/39/569728739.db2.gz IPDJTZDDAUHHAK-UHFFFAOYSA-N 0 0 460.969 4.384 50 0 JIAARN CCCCNC(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925637 569728950 /nfs/dbraw/zinc/72/89/50/569728950.db2.gz UKNNYYFYONMCQM-UHFFFAOYSA-N 0 0 483.620 4.428 50 0 JIAARN CCCCCC(=O)N1CCCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035926024 569729349 /nfs/dbraw/zinc/72/93/49/569729349.db2.gz UDHFKCGDABRGPN-UHFFFAOYSA-N 0 0 476.625 4.329 50 0 JIAARN COc1ccc(-n2c(SCc3ccccc3C(=O)N3CCOCC3)nnc2C(C)C)cc1 ZINC000095925503 569730150 /nfs/dbraw/zinc/73/01/50/569730150.db2.gz MCASHPMKGSZSPW-UHFFFAOYSA-N 0 0 452.580 4.164 50 0 JIAARN CCN(Cc1ccccc1)C(=O)Cn1c2nc(-c3ccccc3)ncc2n(Cc2ccccc2)c1=O ZINC000095931821 569730589 /nfs/dbraw/zinc/73/05/89/569730589.db2.gz JTHAMOBJPLQRNE-UHFFFAOYSA-N 0 0 477.568 4.357 50 0 JIAARN COC(=O)CN[C@@H](c1ccc(Cl)cc1)c1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000095946341 569731103 /nfs/dbraw/zinc/73/11/03/569731103.db2.gz KBISMPZVZGTHBW-DEOSSOPVSA-N 0 0 498.963 4.470 50 0 JIAARN CC[C@H](C)N(Cc1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)C(=O)C(C)C ZINC000035943898 569731621 /nfs/dbraw/zinc/73/16/21/569731621.db2.gz NYWVQLQQCXQTDC-SFHVURJKSA-N 0 0 461.628 4.345 50 0 JIAARN CN(C)c1ccc(NC(=O)C2CC2)cc1CN(C[C@H]1CCCO1)S(=O)(=O)c1cccc(Cl)c1 ZINC000035945076 569732428 /nfs/dbraw/zinc/73/24/28/569732428.db2.gz UJHYBQRSTDKMPC-OAQYLSRUSA-N 0 0 492.041 4.124 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(C)cc1)C(=O)C(C)C ZINC000035945738 569732908 /nfs/dbraw/zinc/73/29/08/569732908.db2.gz FTSKDWIHLYXYME-QHCPKHFHSA-N 0 0 455.986 4.457 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(C)cc1)C(=O)NC(C)(C)C ZINC000035947183 569734174 /nfs/dbraw/zinc/73/41/74/569734174.db2.gz LKYVRRLVPZOUER-FQEVSTJZSA-N 0 0 456.612 4.191 50 0 JIAARN COc1cccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(O)c(OC)c2)c1 ZINC000096115127 569734036 /nfs/dbraw/zinc/73/40/36/569734036.db2.gz HYQUMAOVLKJQBG-QPPBQGQZSA-N 0 0 459.454 4.047 50 0 biogenic JIAARN COCC(=O)N(Cc1ccc(F)cc1)Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C ZINC000035947382 569734391 /nfs/dbraw/zinc/73/43/91/569734391.db2.gz GTSSHQAMLVYNGN-UHFFFAOYSA-N 0 0 467.516 4.458 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(F)cc1)C(=O)C(C)C ZINC000035947496 569734559 /nfs/dbraw/zinc/73/45/59/569734559.db2.gz DXYJXGADYJSHPS-QFIPXVFZSA-N 0 0 459.949 4.288 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000035947751 569734759 /nfs/dbraw/zinc/73/47/59/569734759.db2.gz WSVIFQRWPVZRDK-SANMLTNESA-N 0 0 489.547 4.301 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@H](c3ccc4c(c3)OCO4)C2)c(OC)c1 ZINC000035947849 569734987 /nfs/dbraw/zinc/73/49/87/569734987.db2.gz SQABXXORQGMLJU-NRFANRHFSA-N 0 0 495.576 4.005 50 0 JIAARN COc1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc(OC)c1O ZINC000096116299 569735236 /nfs/dbraw/zinc/73/52/36/569735236.db2.gz GOXMGLBPVCMPPD-GBXCKJPGSA-N 0 0 459.454 4.047 50 0 biogenic JIAARN COc1ccc(OC)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)C(C)C)c1 ZINC000035948633 569735533 /nfs/dbraw/zinc/73/55/33/569735533.db2.gz JGNRSTJJAWPJSG-NRFANRHFSA-N 0 0 457.958 4.149 50 0 JIAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cc3cccc4c3n(c2=O)CCC4)S1 ZINC000096117030 569735572 /nfs/dbraw/zinc/73/55/72/569735572.db2.gz NSTARALUXYCZIA-LAUBAEHRSA-N 0 0 464.591 4.454 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(C)cc1)C(=O)NC(C)(C)C ZINC000035948839 569735615 /nfs/dbraw/zinc/73/56/15/569735615.db2.gz PJACPRYKSSYRAD-DEOSSOPVSA-N 0 0 480.609 4.138 50 0 JIAARN CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2c(c1)OCO2)C(=O)c1cccc(F)c1 ZINC000035948712 569735622 /nfs/dbraw/zinc/73/56/22/569735622.db2.gz QJBMPTRBDFNDBM-IBGZPJMESA-N 0 0 465.506 4.066 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1Cl)C(=O)NC(C)C ZINC000035948880 569735704 /nfs/dbraw/zinc/73/57/04/569735704.db2.gz APTYUAQWTAAKQE-IBGZPJMESA-N 0 0 463.003 4.146 50 0 JIAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(Cl)cc1 ZINC000035948903 569735722 /nfs/dbraw/zinc/73/57/22/569735722.db2.gz XZZAKFIYEGBHSS-OAQYLSRUSA-N 0 0 477.392 4.349 50 0 JIAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc(Br)c2)CCO1 ZINC000096117365 569735825 /nfs/dbraw/zinc/73/58/25/569735825.db2.gz VSTPKGBYSHFQLM-CZUORRHYSA-N 0 0 452.374 4.256 50 0 JIAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)NCCC(=O)N1CCCC1 ZINC000096124578 569736108 /nfs/dbraw/zinc/73/61/08/569736108.db2.gz ABUOIGMNHLHWPT-SEYXRHQNSA-N 0 0 454.530 4.427 50 0 JIAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccccc1 ZINC000035949503 569736153 /nfs/dbraw/zinc/73/61/53/569736153.db2.gz GJHRMGGQHAYERY-XMMPIXPASA-N 0 0 450.583 4.049 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccs3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000035960425 569736434 /nfs/dbraw/zinc/73/64/34/569736434.db2.gz ONVAFJXCXJNKJY-QFIPXVFZSA-N 0 0 463.559 4.215 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000035960534 569736490 /nfs/dbraw/zinc/73/64/90/569736490.db2.gz LFFXXFGQKBZIGD-HSZRJFAPSA-N 0 0 467.541 4.169 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(Cl)cc1)C(=O)C(C)C ZINC000035961022 569736736 /nfs/dbraw/zinc/73/67/36/569736736.db2.gz KSMKAXHYOGZTEZ-QFIPXVFZSA-N 0 0 459.949 4.288 50 0 JIAARN COc1ccccc1[C@@H]1CC(c2ccccc2F)=NN1C(=O)CN(C)C(=O)c1ccccc1F ZINC000035961076 569736778 /nfs/dbraw/zinc/73/67/78/569736778.db2.gz XJUVHTVSBAEXIM-QHCPKHFHSA-N 0 0 463.484 4.423 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc(OC)cc2)cc1 ZINC000035961472 569737076 /nfs/dbraw/zinc/73/70/76/569737076.db2.gz GKFWFGKMRYDVDJ-VWLOTQADSA-N 0 0 475.520 4.293 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)c2cccs2)cc1 ZINC000035961470 569737101 /nfs/dbraw/zinc/73/71/01/569737101.db2.gz JXWPGJPSRSIOOM-NRFANRHFSA-N 0 0 451.523 4.346 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccc(C)cc2)cc1 ZINC000035961925 569737363 /nfs/dbraw/zinc/73/73/63/569737363.db2.gz VWQAVNYGZNZMSW-SANMLTNESA-N 0 0 471.557 4.462 50 0 JIAARN COc1ccc(OC)c([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)c1 ZINC000035962739 569737730 /nfs/dbraw/zinc/73/77/30/569737730.db2.gz YRYJAZFIJDLOEW-QFIPXVFZSA-N 0 0 469.557 4.415 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1Cl)C(=O)NC(C)C ZINC000035963193 569737926 /nfs/dbraw/zinc/73/79/26/569737926.db2.gz JFPVXSZUXAVRAA-HSZRJFAPSA-N 0 0 487.000 4.093 50 0 JIAARN C[C@@H](CCc1ccccc1)N1C(=O)[C@H](Cc2ccccc2)NC12CCN(C(=O)C1CCC1)CC2 ZINC000096210954 569738090 /nfs/dbraw/zinc/73/80/90/569738090.db2.gz DZPQOWGYTUOUPS-NVQXNPDNSA-N 0 0 459.634 4.170 50 0 JIAARN CCN1C2=C(C(=O)N([C@@H](C(=O)NCc3ccco3)c3ccccc3)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000035966297 569738468 /nfs/dbraw/zinc/73/84/68/569738468.db2.gz NEIQBFBXXNGNJU-IZZNHLLZSA-N 0 0 498.583 4.137 50 0 JIAARN CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)Nc3ccc(F)cc3)C2)[C@H](c2ccsc2)NC1=O ZINC000035968491 569738928 /nfs/dbraw/zinc/73/89/28/569738928.db2.gz OEOSWQXWUOIYPF-NQIIRXRSSA-N 0 0 470.570 4.123 50 0 JIAARN CCCOc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 ZINC000100049750 569751945 /nfs/dbraw/zinc/75/19/45/569751945.db2.gz ZBQJXBWTLOJEKV-SFHVURJKSA-N 0 0 477.380 4.242 50 0 JIAARN COc1ccc2cc([C@@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccc(O)cc6)coc5c43)c(=O)n(C)c2c1 ZINC000096222747 569739566 /nfs/dbraw/zinc/73/95/66/569739566.db2.gz ADQCZJFHDTXFLW-FQEVSTJZSA-N 0 0 495.487 4.467 50 0 biogenic JIAARN CCNC(=O)N(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000035980275 569741981 /nfs/dbraw/zinc/74/19/81/569741981.db2.gz MFPJUUBVMOUSGG-UHFFFAOYSA-N 0 0 452.555 4.414 50 0 JIAARN CC(=O)NCC(=O)N(c1ccccc1)C1(C(=O)NC(c2ccccc2)c2ccccc2)CCCC1 ZINC000096602261 569742487 /nfs/dbraw/zinc/74/24/87/569742487.db2.gz ZZDBKZMFFPWKQJ-UHFFFAOYSA-N 0 0 469.585 4.374 50 0 JIAARN Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)nc(C)n2)cc1 ZINC000096646350 569742704 /nfs/dbraw/zinc/74/27/04/569742704.db2.gz JNHLFBVWDNKGHA-UHFFFAOYSA-N 0 0 465.623 4.273 50 0 JIAARN CCOC(=O)C1CCN(C(=O)c2cnc(-c3ccccc3)nc2N2CCc3ccccc3C2)CC1 ZINC000035981691 569742716 /nfs/dbraw/zinc/74/27/16/569742716.db2.gz LRHIKTLLRRSQNC-UHFFFAOYSA-N 0 0 470.573 4.122 50 0 JIAARN CN1C(=O)N(CC(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)C(=O)C12CCCCC2 ZINC000096803981 569743181 /nfs/dbraw/zinc/74/31/81/569743181.db2.gz CFEQWFSSXPTZHG-FLIBITNWSA-N 0 0 489.572 4.101 50 0 JIAARN COc1cc(-c2noc(-c3ncn4c3CO[C@H](c3ccc(F)cc3)C4)n2)cc(OC)c1OC ZINC000097077353 569744131 /nfs/dbraw/zinc/74/41/31/569744131.db2.gz SSFPLISZEHMIMD-IBGZPJMESA-N 0 0 452.442 4.037 50 0 JIAARN CC(C)CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(C(=O)N2CCCC2)c1 ZINC000035992009 569744788 /nfs/dbraw/zinc/74/47/88/569744788.db2.gz QQIWONRTHLBNFM-UHFFFAOYSA-N 0 0 480.584 4.009 50 0 JIAARN C[C@H]1Cn2c3c(nc2N(c2cccc(Cl)c2)C1)n(C)c(=O)n(C/C=C\c1ccccc1)c3=O ZINC000097568696 569745474 /nfs/dbraw/zinc/74/54/74/569745474.db2.gz NRPJSAXMJQNAOH-CGQZWFTASA-N 0 0 461.953 4.051 50 0 JIAARN Cc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(C/C=C\c2ccccc2)c4=O)cc1C ZINC000097568052 569745486 /nfs/dbraw/zinc/74/54/86/569745486.db2.gz RQGSSKNXCBSWOM-YFWYWMRJSA-N 0 0 455.562 4.015 50 0 JIAARN Cc1nn(-c2ccccc2Cl)c2nc(C)nc(NCCNS(=O)(=O)c3ccc(Cl)cc3)c12 ZINC000036000490 569745645 /nfs/dbraw/zinc/74/56/45/569745645.db2.gz USXVYAROAXXUDD-UHFFFAOYSA-N 0 0 491.404 4.130 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)CN(C(=O)c2ccc(OC)cc2)C2CCCCC2)c(C)n1C ZINC000036000586 569745675 /nfs/dbraw/zinc/74/56/75/569745675.db2.gz VOWWANOVXHMCFS-UHFFFAOYSA-N 0 0 454.567 4.485 50 0 JIAARN O=C(Nc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)c(C(=O)N2CCCC2)c1)c1ccco1 ZINC000036001257 569745851 /nfs/dbraw/zinc/74/58/51/569745851.db2.gz KCXMDVCFCVNIKC-UHFFFAOYSA-N 0 0 476.552 4.229 50 0 JIAARN CSc1ccc(NC(=O)C2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(C)cc3)C4)CC2)cc1 ZINC000097943819 569746670 /nfs/dbraw/zinc/74/66/70/569746670.db2.gz LMBBYXXKGRVHDW-QHCPKHFHSA-N 0 0 491.617 4.071 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(Cc2ccccn2)C(=O)c2cccc(F)c2)c1C ZINC000036004401 569746869 /nfs/dbraw/zinc/74/68/69/569746869.db2.gz UABZSZPCWABWLW-KRWDZBQOSA-N 0 0 451.498 4.256 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CCc2ccccn2)C(=O)c2ccc(OC)cc2)c1C ZINC000036004290 569746875 /nfs/dbraw/zinc/74/68/75/569746875.db2.gz XPQSYDSOZMJOSB-LJQANCHMSA-N 0 0 477.561 4.168 50 0 JIAARN CCOC(=O)C1CCN(C(=O)CCN(CC(C)C)C(=O)c2cc(-c3ccccc3Cl)on2)CC1 ZINC000036006010 569747424 /nfs/dbraw/zinc/74/74/24/569747424.db2.gz OAUIHBRELGEXPG-UHFFFAOYSA-N 0 0 490.000 4.285 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)[C@H](C)N(CCC(C)C)S(=O)(=O)c2ccc(OC)cc2)c(C)n1C ZINC000036006690 569747599 /nfs/dbraw/zinc/74/75/99/569747599.db2.gz OCCXMNHBPGRZLS-IBGZPJMESA-N 0 0 492.638 4.135 50 0 JIAARN COc1cc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)C(C)C)no2)cc(OC)c1OC ZINC000036012432 569748265 /nfs/dbraw/zinc/74/82/65/569748265.db2.gz AHDBRYBYVWGPSO-UHFFFAOYSA-N 0 0 468.506 4.281 50 0 JIAARN Cc1ccc(C)c(-c2cc(C(=O)N(CCC(=O)NCc3ccc(F)cc3)C[C@@H]3CCCO3)no2)c1 ZINC000036015515 569749130 /nfs/dbraw/zinc/74/91/30/569749130.db2.gz GYNBQYZJGXDXSG-QFIPXVFZSA-N 0 0 479.552 4.425 50 0 JIAARN Cc1ccc(C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)NC(C)(C)C)CC3)cc2)C(C)C)cc1 ZINC000036016493 569749288 /nfs/dbraw/zinc/74/92/88/569749288.db2.gz YLJDQQBZBTXPEK-UHFFFAOYSA-N 0 0 493.652 4.114 50 0 JIAARN CCn1c(C)c(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c(C)c1C(=O)OC ZINC000036018987 569749695 /nfs/dbraw/zinc/74/96/95/569749695.db2.gz XCEDCYZAYIOGMG-UHFFFAOYSA-N 0 0 474.623 4.426 50 0 JIAARN Cc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)C4CC4)cc3C(=O)N3CCCCC3)CC2)cc1 ZINC000036019589 569750007 /nfs/dbraw/zinc/75/00/07/569750007.db2.gz GOUYUVGPLDJATL-UHFFFAOYSA-N 0 0 489.620 4.324 50 0 JIAARN COc1cc2c(cc1OC)[C@H](CNC(=O)Nc1ccc(C)cc1)N(C(=O)NC(C)(C)C)CC2 ZINC000036021551 569750181 /nfs/dbraw/zinc/75/01/81/569750181.db2.gz SNEMHZQKFLZAAA-FQEVSTJZSA-N 0 0 454.571 4.241 50 0 JIAARN CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCCc1ccccc1)O2 ZINC000098087173 569750601 /nfs/dbraw/zinc/75/06/01/569750601.db2.gz CDLSNZRSQLYVLR-RUZDIDTESA-N 0 0 478.614 4.299 50 0 JIAARN Cc1[nH]c2ccc(OC(F)(F)Cl)cc2c1CCNC(=O)CSc1nnnn1-c1ccccc1 ZINC000098087248 569750614 /nfs/dbraw/zinc/75/06/14/569750614.db2.gz CWEZOBJAOHGKTH-UHFFFAOYSA-N 0 0 492.939 4.071 50 0 JIAARN C[C@H]1NC2(CCN(C(=O)c3ccccc3Cl)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000036026149 569750784 /nfs/dbraw/zinc/75/07/84/569750784.db2.gz XWSDUFSPFUHFNL-OAHLLOKOSA-N 0 0 465.903 4.312 50 0 JIAARN CCCN(C)c1cc(C)nc(SCc2cccc(C(=O)N3CCC[C@H](C(=O)OCC)C3)c2)n1 ZINC000036027638 569751056 /nfs/dbraw/zinc/75/10/56/569751056.db2.gz KAOWHGDAUIDTEL-NRFANRHFSA-N 0 0 470.639 4.339 50 0 JIAARN COCCn1c(CN(C(=O)c2cccs2)C(C)C)cnc1S(=O)(=O)Cc1ccccc1Cl ZINC000036039921 569752829 /nfs/dbraw/zinc/75/28/29/569752829.db2.gz FUGIFFBBYNVBHI-UHFFFAOYSA-N 0 0 496.054 4.269 50 0 JIAARN CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=O)C1CC1 ZINC000036040134 569752932 /nfs/dbraw/zinc/75/29/32/569752932.db2.gz OHBCDAPLZMEELO-UHFFFAOYSA-N 0 0 465.619 4.300 50 0 JIAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(CC(C)C)C(=S)NC2CC2)n1CC(C)C ZINC000036040635 569753228 /nfs/dbraw/zinc/75/32/28/569753228.db2.gz IPBSITHKALQCOP-UHFFFAOYSA-N 0 0 476.712 4.316 50 0 JIAARN CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C(C)C ZINC000036040675 569753321 /nfs/dbraw/zinc/75/33/21/569753321.db2.gz XCQFQEJDIOCALM-UHFFFAOYSA-N 0 0 488.654 4.149 50 0 JIAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C(=S)NC(C)C ZINC000036040678 569753343 /nfs/dbraw/zinc/75/33/43/569753343.db2.gz WBMISRGBKIEZSH-UHFFFAOYSA-N 0 0 488.654 4.149 50 0 JIAARN COc1ccc(C(=O)NC[C@H]2c3cc(OC)c(OC)cc3CCN2Cc2cccc(OC)c2)cc1 ZINC000036040809 569753373 /nfs/dbraw/zinc/75/33/73/569753373.db2.gz URUWZWQURCNQSD-VWLOTQADSA-N 0 0 476.573 4.250 50 0 biogenic JIAARN CC(C)NC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C(C)C)C(C)C ZINC000036042888 569754219 /nfs/dbraw/zinc/75/42/19/569754219.db2.gz ZINCLCMDQWEKME-UHFFFAOYSA-N 0 0 454.637 4.070 50 0 JIAARN COc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(C(=O)C3CCCC3)C(C)C)n2)cc1 ZINC000036044778 569755269 /nfs/dbraw/zinc/75/52/69/569755269.db2.gz AMHFHFBNCTYCRV-UHFFFAOYSA-N 0 0 460.578 4.914 50 0 JIAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C[C@H]1CCCO1 ZINC000036048112 569755724 /nfs/dbraw/zinc/75/57/24/569755724.db2.gz RHUUMQPMUKJXMY-XMMPIXPASA-N 0 0 474.605 5.019 50 0 JIAARN CC(C)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1)C(=O)C1CC1 ZINC000036049664 569756290 /nfs/dbraw/zinc/75/62/90/569756290.db2.gz XFEOSKJUVWGRFY-UHFFFAOYSA-N 0 0 454.933 4.917 50 0 JIAARN COCCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C)cc1)C(=O)c1ccco1 ZINC000036051125 569756381 /nfs/dbraw/zinc/75/63/81/569756381.db2.gz XWQMXQDBRKVNHW-UHFFFAOYSA-N 0 0 488.544 4.177 50 0 JIAARN Cn1ncc(Oc2ccc(Cl)cc2)c(Nc2cccc(C(=O)NCc3ccncc3)c2)c1=O ZINC000036061563 569756667 /nfs/dbraw/zinc/75/66/67/569756667.db2.gz BTWWCHKVKKJHRH-UHFFFAOYSA-N 0 0 461.909 4.295 50 0 JIAARN Cc1cccc(Oc2cnn(C)c(=O)c2Nc2ccc(C(=O)NCc3ccncc3)cc2)c1C ZINC000036073281 569756676 /nfs/dbraw/zinc/75/66/76/569756676.db2.gz ZKMRKPJFEQIGAM-UHFFFAOYSA-N 0 0 455.518 4.258 50 0 JIAARN COc1cccc(N(Cc2cc(OC)cc(OC)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000036247398 569757768 /nfs/dbraw/zinc/75/77/68/569757768.db2.gz LPHGCFGMBUBKBD-UHFFFAOYSA-N 0 0 470.547 4.066 50 0 JIAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(C[C@H]2CCCO2)C(=O)c2ccc(F)cc2)c1 ZINC000036314333 569761876 /nfs/dbraw/zinc/76/18/76/569761876.db2.gz ZUAJNLDWKGHWLM-HSZRJFAPSA-N 0 0 479.552 4.447 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000036341148 569764352 /nfs/dbraw/zinc/76/43/52/569764352.db2.gz CNAYBHWDIOTPNA-YKSBVNFPSA-N 0 0 483.996 4.301 50 0 JIAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000036341183 569764365 /nfs/dbraw/zinc/76/43/65/569764365.db2.gz RURZFKOEPGUPEZ-XMMPIXPASA-N 0 0 483.996 4.301 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036342535 569765815 /nfs/dbraw/zinc/76/58/15/569765815.db2.gz RDNXXVZSIJVQPX-XMMPIXPASA-N 0 0 467.997 4.473 50 0 JIAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccc(OCC)cc2)CC1 ZINC000036344108 569766719 /nfs/dbraw/zinc/76/67/19/569766719.db2.gz DQHLTLOGOSDHOM-SANMLTNESA-N 0 0 477.605 4.347 50 0 JIAARN O=C1N[C@H](c2c(F)cccc2Cl)C(=C(O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000100736376 569768140 /nfs/dbraw/zinc/76/81/40/569768140.db2.gz JDMIFKVQXNVENT-JJRVBVJISA-N 0 0 451.203 4.236 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2cccc(OC)c2)C1 ZINC000036345693 569768246 /nfs/dbraw/zinc/76/82/46/569768246.db2.gz RKSYOYGPBUFWBS-GJZUVCINSA-N 0 0 477.605 4.265 50 0 JIAARN COC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000036346412 569769627 /nfs/dbraw/zinc/76/96/27/569769627.db2.gz HPYAHOGTWZSMTQ-LADGPHEKSA-N 0 0 469.557 4.100 50 0 JIAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cccc(Cl)c4n3C)cc2)C1 ZINC000100821287 569771324 /nfs/dbraw/zinc/77/13/24/569771324.db2.gz DEEUWNIOJIYAKA-OESDUMLDSA-N 0 0 464.012 4.055 50 0 JIAARN COc1ccc(CCN(C(=O)c2ccccc2)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000100830424 569771911 /nfs/dbraw/zinc/77/19/11/569771911.db2.gz RBRHYZBEFMASPS-QFIPXVFZSA-N 0 0 492.959 4.374 50 0 JIAARN CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000036359678 569772472 /nfs/dbraw/zinc/77/24/72/569772472.db2.gz HTYDICKDNDACSX-QHCPKHFHSA-N 0 0 468.985 4.359 50 0 JIAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(Cl)ccc3n2C)cc1 ZINC000100861033 569772759 /nfs/dbraw/zinc/77/27/59/569772759.db2.gz UONRNTJXLWSSRY-OESDUMLDSA-N 0 0 464.012 4.197 50 0 JIAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NC[C@@H](O)c3ccccc3)nn1-c1ccccc1F)C2 ZINC000036365178 569772918 /nfs/dbraw/zinc/77/29/18/569772918.db2.gz UOIZZUOVWOUGLL-JOCHJYFZSA-N 0 0 473.504 4.063 50 0 JIAARN COc1ccc(CCn2c(C)cc(C(=O)CN3CCN(c4ccccc4O)CC3)c2C)cc1OC ZINC000036447706 569776055 /nfs/dbraw/zinc/77/60/55/569776055.db2.gz FGBRIHXBTKTPSF-UHFFFAOYSA-N 0 0 477.605 4.075 50 0 JIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccc(F)cc3)N2[C@H]1c1cccc(OC)c1 ZINC000100938535 569776811 /nfs/dbraw/zinc/77/68/11/569776811.db2.gz PVGZRWJAGCZOBL-QHCPKHFHSA-N 0 0 481.549 4.289 50 0 JIAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCOC)N2[C@H]1c1cccc(C)c1 ZINC000100939889 569776937 /nfs/dbraw/zinc/77/69/37/569776937.db2.gz YTPZXKYZXOUDNX-VWLOTQADSA-N 0 0 491.613 4.423 50 0 JIAARN CCC1=C(C(=O)OC)[C@H](c2cccc(Cl)c2)N2C(CC(=O)NC[C@@H]3CCCO3)=CSC2=N1 ZINC000100945272 569777172 /nfs/dbraw/zinc/77/71/72/569777172.db2.gz FUAONVRTXOEJLD-UWJYYQICSA-N 0 0 475.998 4.163 50 0 JIAARN 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ZINC000001282750 194081563 /nfs/dbraw/zinc/08/15/63/194081563.db2.gz AJNPGNDWHXNTGB-UHFFFAOYSA-N 0 0 475.397 4.328 50 0 JIAARN Cc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc32)cc1S(=O)(=O)NC(C)(C)CO ZINC000001293634 194081913 /nfs/dbraw/zinc/08/19/13/194081913.db2.gz ZLEQDWKNXLQUJB-UHFFFAOYSA-N 0 0 478.574 4.104 50 0 JIAARN Cn1c2nc(SCc3ccc(Cl)cc3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000001295690 194082084 /nfs/dbraw/zinc/08/20/84/194082084.db2.gz XIHSAGLTNUFDLY-UHFFFAOYSA-N 0 0 461.374 4.081 50 0 JIAARN N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 ZINC000001298123 194082127 /nfs/dbraw/zinc/08/21/27/194082127.db2.gz UIKWWRYHNNJFHX-INIZCTEOSA-N 0 0 472.368 4.287 50 0 JIAARN COc1ccccc1CN1C(=O)N(c2ccccc2)[C@H](n2oc(=O)n(-c3ccccc3)c2=O)C1(C)C ZINC000001315125 194083753 /nfs/dbraw/zinc/08/37/53/194083753.db2.gz NODBAVSPDSTFAP-HSZRJFAPSA-N 0 0 486.528 4.020 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000001321061 194084793 /nfs/dbraw/zinc/08/47/93/194084793.db2.gz 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Cc1cc(C)nc(SCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000001407236 194116136 /nfs/dbraw/zinc/11/61/36/194116136.db2.gz RYZIYEFNWYEHPL-QGZVFWFLSA-N 0 0 496.564 4.109 50 0 JIAARN COc1ccc([C@H]2OC(=O)N(Cc3ccc(OC)c(OC)c3)[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000001423026 194118229 /nfs/dbraw/zinc/11/82/29/194118229.db2.gz MJZDTEFNQVJEPP-RSXGOPAZSA-N 0 0 465.502 4.260 50 0 JIAARN CCOC(=O)C1=C(CNc2ccc(Cl)cc2Cl)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000001423132 194118251 /nfs/dbraw/zinc/11/82/51/194118251.db2.gz TXGHXRXFGPWPBR-IBGZPJMESA-N 0 0 464.305 4.005 50 0 JIAARN CCOC(=O)C1=C(CNc2ccc(Cl)cc2Cl)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000001423133 194118306 /nfs/dbraw/zinc/11/83/06/194118306.db2.gz TXGHXRXFGPWPBR-LJQANCHMSA-N 0 0 464.305 4.005 50 0 JIAARN COc1ccc(N(Cc2cc3cccc4c3n(c2=O)CCC4)S(=O)(=O)c2ccccc2)cc1 ZINC000001501651 194126017 /nfs/dbraw/zinc/12/60/17/194126017.db2.gz JEAVHKAWHCUPHJ-UHFFFAOYSA-N 0 0 460.555 4.352 50 0 JIAARN CCOC(=O)C1=C(C)N=C2SC(C(=O)Nc3ccc(F)cc3)=CC(=O)N2[C@@H]1c1ccc(OC)cc1 ZINC000001442390 194121693 /nfs/dbraw/zinc/12/16/93/194121693.db2.gz NBJWGOCILQSPEP-JOCHJYFZSA-N 0 0 495.532 4.180 50 0 JIAARN CN(C(=O)c1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1)c1ccccc1 ZINC000001785744 194139482 /nfs/dbraw/zinc/13/94/82/194139482.db2.gz SSJWXTHKCQZHGV-UHFFFAOYSA-N 0 0 459.933 4.437 50 0 JIAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(F)cc1)c2C(=O)Nc1ccccc1 ZINC000001785907 194139809 /nfs/dbraw/zinc/13/98/09/194139809.db2.gz YVORFJVBJZFVNS-UHFFFAOYSA-N 0 0 450.495 4.352 50 0 JIAARN CCOc1ccc(NC(=O)Cn2cnc3sc(C(=O)Nc4ccccc4)c(C)c3c2=O)cc1 ZINC000001787553 194140762 /nfs/dbraw/zinc/14/07/62/194140762.db2.gz DCQGUZZBTLUMEG-UHFFFAOYSA-N 0 0 462.531 4.056 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000001812467 194144986 /nfs/dbraw/zinc/14/49/86/194144986.db2.gz LEAAKZZEIHIQRS-SQWSFHKJSA-N 0 0 473.381 4.105 50 0 JIAARN CCOC(=O)C(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)c(C(=O)OCC)oc2c1C 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/nfs/dbraw/zinc/16/81/25/194168125.db2.gz HNLMTUYCBLRAKS-UHFFFAOYSA-N 0 0 467.572 4.254 50 0 JIAARN Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(Br)cc2)no1 ZINC000002908838 194168458 /nfs/dbraw/zinc/16/84/58/194168458.db2.gz XVVORUIBSRRURO-UHFFFAOYSA-N 0 0 477.365 4.237 50 0 JIAARN Cc1c(C(=O)N2CCCC[C@@H]2C)sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c12 ZINC000002925680 194171490 /nfs/dbraw/zinc/17/14/90/194171490.db2.gz DLPSJAVSAVAJPF-ZDUSSCGKSA-N 0 0 492.523 4.439 50 0 JIAARN COC(=O)c1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000002954056 194178771 /nfs/dbraw/zinc/17/87/71/194178771.db2.gz MKUOYTOSTUVWJK-GNVQSUKOSA-N 0 0 457.486 4.208 50 0 JIAARN COc1ccc(OC)c(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000002954961 194179301 /nfs/dbraw/zinc/17/93/01/194179301.db2.gz GJDOZHZNORRYMU-JVCXMKTPSA-N 0 0 481.455 4.409 50 0 JIAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2Cc1ccccc1C ZINC000002957020 194180295 /nfs/dbraw/zinc/18/02/95/194180295.db2.gz KOODTXIMVMLOQN-UHFFFAOYSA-N 0 0 475.614 4.420 50 0 JIAARN O=C(CSc1nc2c3ccccc3sc2c(=O)n1C[C@H]1CCCO1)NCc1ccccc1 ZINC000002962117 194182290 /nfs/dbraw/zinc/18/22/90/194182290.db2.gz JHFOOQKDYBMEMM-QGZVFWFLSA-N 0 0 465.600 4.199 50 0 JIAARN COc1ccc(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2COc2ccccc2OC)cc1 ZINC000002980228 194193247 /nfs/dbraw/zinc/19/32/47/194193247.db2.gz ZTVXRBGDSYWXAU-QHCPKHFHSA-N 0 0 477.557 4.469 50 0 JIAARN COc1ccc(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2COc2ccccc2OC)cc1 ZINC000002980226 194193276 /nfs/dbraw/zinc/19/32/76/194193276.db2.gz ZTVXRBGDSYWXAU-HSZRJFAPSA-N 0 0 477.557 4.469 50 0 JIAARN CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(OC)cc3OC)N2C1=O ZINC000002964638 194183930 /nfs/dbraw/zinc/18/39/30/194183930.db2.gz RCSJGJAPBJBUNJ-LHSJRXKWSA-N 0 0 466.563 4.080 50 0 JIAARN CC(C)[C@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Br)ccc4n3)N2C1=O ZINC000002965412 194184165 /nfs/dbraw/zinc/18/41/65/194184165.db2.gz ODJIGWWRNHIAEV-LJQANCHMSA-N 0 0 496.390 4.005 50 0 JIAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)N2CCCCC2)cc1C ZINC000002972139 194189125 /nfs/dbraw/zinc/18/91/25/194189125.db2.gz DWVBWGPKOCFDMP-UHFFFAOYSA-N 0 0 478.618 4.147 50 0 JIAARN COc1ccccc1OC[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000002980033 194192933 /nfs/dbraw/zinc/19/29/33/194192933.db2.gz KWEJARLQAMYAQG-FQEVSTJZSA-N 0 0 477.513 4.260 50 0 JIAARN COc1cccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000002979943 194192973 /nfs/dbraw/zinc/19/29/73/194192973.db2.gz PVJLTMQKGTXXSX-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(C(=O)c3ccccc3)cc1)CS(=O)(=O)C2 ZINC000003008492 194202979 /nfs/dbraw/zinc/20/29/79/194202979.db2.gz VTRSMIXBEPCKIE-UHFFFAOYSA-N 0 0 471.538 4.092 50 0 JIAARN Cc1sc2nc(SCC(=O)NCCOc3ccccc3)n(-c3ccccc3)c(=O)c2c1C ZINC000003002036 194199335 /nfs/dbraw/zinc/19/93/35/194199335.db2.gz RWFILFQNYTWNHN-UHFFFAOYSA-N 0 0 465.600 4.351 50 0 JIAARN COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2F)cc1 ZINC000003005827 194200651 /nfs/dbraw/zinc/20/06/51/194200651.db2.gz JJVBUJORMIRZRJ-HSZRJFAPSA-N 0 0 479.504 4.448 50 0 JIAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000003027655 194211935 /nfs/dbraw/zinc/21/19/35/194211935.db2.gz WFIOJKHXCUPPHH-UHFFFAOYSA-N 0 0 453.281 4.459 50 0 JIAARN CCCN(CCC)C(=O)[C@@H](CC)Sc1nc2nnc(C)c-2c(N)n1-c1cccc(OC)c1 ZINC000003032829 194213224 /nfs/dbraw/zinc/21/32/24/194213224.db2.gz LFSVFTBJPKUVIV-GOSISDBHSA-N 0 0 456.616 4.064 50 0 JIAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCC(C)CC4)c3N2)cc1OC ZINC000003012456 194206119 /nfs/dbraw/zinc/20/61/19/194206119.db2.gz NFSZSZUSFRMLAC-APWZRJJASA-N 0 0 452.477 4.433 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)CC1 ZINC000003012929 194206667 /nfs/dbraw/zinc/20/66/67/194206667.db2.gz QSKBUYIJDFFUMW-JXFKEZNVSA-N 0 0 475.471 4.107 50 0 JIAARN COc1cccc(C(=O)N[C@@H](NC(=S)Nc2ccc(F)cc2)C(Cl)(Cl)Cl)c1 ZINC000003053078 194219973 /nfs/dbraw/zinc/21/99/73/194219973.db2.gz SKWWGEOPEMGBCW-HNNXBMFYSA-N 0 0 450.750 4.247 50 0 JIAARN CCn1c(CC(=O)Nc2ccccc2OC)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000003105454 194226402 /nfs/dbraw/zinc/22/64/02/194226402.db2.gz RGPFQIHTXOJFGF-UHFFFAOYSA-N 0 0 473.986 4.180 50 0 JIAARN O=C(NC1CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000003062459 194222731 /nfs/dbraw/zinc/22/27/31/194222731.db2.gz DNVSDXQTEYWJBM-UHFFFAOYSA-N 0 0 466.946 4.225 50 0 JIAARN CC(=O)Nc1ccc(NC(=S)N[C@@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000003103688 194226156 /nfs/dbraw/zinc/22/61/56/194226156.db2.gz MXFYDLFFAMIPPC-VWGXWWAPSA-N 0 0 485.824 4.457 50 0 JIAARN CC(=O)Nc1ccc(OS(=O)(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000003128168 194229053 /nfs/dbraw/zinc/22/90/53/194229053.db2.gz LDBBNHARWKRULR-UHFFFAOYSA-N 0 0 459.833 4.271 50 0 JIAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000003137719 194230597 /nfs/dbraw/zinc/23/05/97/194230597.db2.gz DWHQHQXNUNCAQS-UHFFFAOYSA-N 0 0 461.918 4.479 50 0 JIAARN 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CCOc1ccc(NC(=O)CCc2nc3ccccc3s2)cc1S(=O)(=O)N(CC)CC ZINC000009957427 195037123 /nfs/dbraw/zinc/03/71/23/195037123.db2.gz NSWNNZKNAVQBOQ-UHFFFAOYSA-N 0 0 461.609 4.297 50 0 JIAARN CCc1ccc(NC(=O)Cn2c3c4ccccc4sc3c(=O)n(Cc3ccco3)c2=O)cc1 ZINC000009959833 195038526 /nfs/dbraw/zinc/03/85/26/195038526.db2.gz UHXILJSUVQWELT-UHFFFAOYSA-N 0 0 459.527 4.220 50 0 JIAARN CCOc1ccc(CCNC(=O)COC(=O)c2cc(Br)ccc2Cl)cc1OCC ZINC000009963112 195040084 /nfs/dbraw/zinc/04/00/84/195040084.db2.gz PRZFMGOWGHBINZ-UHFFFAOYSA-N 0 0 484.774 4.416 50 0 JIAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccco2)cc1 ZINC000009934007 195026377 /nfs/dbraw/zinc/02/63/77/195026377.db2.gz XHDQPNBCQBNBIU-HSZRJFAPSA-N 0 0 477.517 4.443 50 0 JIAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3cc(OC)cc(OC)c3)N(Cc3cccs3)C2=O)cc1 ZINC000009934254 195026730 /nfs/dbraw/zinc/02/67/30/195026730.db2.gz BPJGUUWLAOETBP-QFIPXVFZSA-N 0 0 495.557 4.140 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccco2)c1 ZINC000009934310 195026988 /nfs/dbraw/zinc/02/69/88/195026988.db2.gz HCQBPRDUQRDQOK-JOCHJYFZSA-N 0 0 475.501 4.131 50 0 JIAARN CCCCCC(=O)Nc1cc(C(=O)OCC)ccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000009934588 195027261 /nfs/dbraw/zinc/02/72/61/195027261.db2.gz ZWKLQHQOELFTTG-UHFFFAOYSA-N 0 0 451.567 4.345 50 0 JIAARN CCOc1ccc([C@H]2C(C(=O)Nc3cc(OC)c(Cl)cc3OC)=C(C)Nc3ncnn32)cc1OC ZINC000009934735 195027576 /nfs/dbraw/zinc/02/75/76/195027576.db2.gz OCXRYVHZGWEFMG-QFIPXVFZSA-N 0 0 499.955 4.284 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1SCC(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000012599378 195044938 /nfs/dbraw/zinc/04/49/38/195044938.db2.gz RRLJSSIAUWKKPT-UHFFFAOYSA-N 0 0 461.591 4.088 50 0 JIAARN CCN(Cc1ccccc1)C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012601498 195046722 /nfs/dbraw/zinc/04/67/22/195046722.db2.gz MDYXFULXSJKDIV-UHFFFAOYSA-N 0 0 452.576 4.248 50 0 JIAARN Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccco3)c2)c1 ZINC000012605053 195050082 /nfs/dbraw/zinc/05/00/82/195050082.db2.gz AKVNEUQBRZDPGT-UHFFFAOYSA-N 0 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FIKLLXPROWMNOK-UHFFFAOYSA-N 0 0 456.652 4.442 50 0 JIAARN COc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)CC2)cc1 ZINC000012741036 195101016 /nfs/dbraw/zinc/10/10/16/195101016.db2.gz YZVWDRCEDWKOSV-GOSISDBHSA-N 0 0 474.479 4.188 50 0 JIAARN Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)c1C ZINC000012746840 195103229 /nfs/dbraw/zinc/10/32/29/195103229.db2.gz CVECIWQJRINTPS-UHFFFAOYSA-N 0 0 465.575 4.090 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)CN1CCCC[C@@H]1c1nc3ccccc3s1)CC2 ZINC000012752920 195106942 /nfs/dbraw/zinc/10/69/42/195106942.db2.gz DHKYQPRFJFXKGL-HXUWFJFHSA-N 0 0 451.592 4.425 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)CN1CCCC[C@H]1c1nc3ccccc3s1)CC2 ZINC000012752926 195107029 /nfs/dbraw/zinc/10/70/29/195107029.db2.gz DHKYQPRFJFXKGL-FQEVSTJZSA-N 0 0 451.592 4.425 50 0 JIAARN C[C@]1(CSc2ccccc2C(=O)Nc2ccc(OCc3ccccc3)cc2)NC(=O)NC1=O ZINC000012753704 195107396 /nfs/dbraw/zinc/10/73/96/195107396.db2.gz ZSALBURITUCXFZ-RUZDIDTESA-N 0 0 461.543 4.208 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 ZINC000012754651 195108133 /nfs/dbraw/zinc/10/81/33/195108133.db2.gz ILIXZLDBONHIKI-UHFFFAOYSA-N 0 0 457.577 4.028 50 0 JIAARN CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000012756994 195108786 /nfs/dbraw/zinc/10/87/86/195108786.db2.gz SEQQGVJUPPKERM-QHCPKHFHSA-N 0 0 493.025 4.025 50 0 JIAARN O=C(Cc1sc(N2CCCCC2)nc1O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1 ZINC000012756771 195108801 /nfs/dbraw/zinc/10/88/01/195108801.db2.gz PRZQNNSGQNZVJB-GOTSBHOMSA-N 0 0 490.629 4.476 50 0 JIAARN CCCc1cc(=O)oc2cc(OC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(C)s4)C3)ccc12 ZINC000012756727 195108955 /nfs/dbraw/zinc/10/89/55/195108955.db2.gz PXUNNMHGFWBDJT-KRWDZBQOSA-N 0 0 475.588 4.122 50 0 JIAARN Cc1cccc(NC(=O)CN(C)Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)c1C ZINC000012761608 195110981 /nfs/dbraw/zinc/11/09/81/195110981.db2.gz NYXKFQYMYVHFFY-UHFFFAOYSA-N 0 0 450.539 4.478 50 0 JIAARN Cc1cccc(-c2nnc(Sc3nc(C)nc4sc5c(c43)CCCC5)n2CC(N)=O)c1 ZINC000012768495 195115839 /nfs/dbraw/zinc/11/58/39/195115839.db2.gz VDTSJWOLNWEFMD-UHFFFAOYSA-N 0 0 450.593 4.082 50 0 JIAARN O=C(CCn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(Br)cc1F ZINC000012768871 195116237 /nfs/dbraw/zinc/11/62/37/195116237.db2.gz GOPOBOVCYADDKJ-UHFFFAOYSA-N 0 0 458.213 4.289 50 0 JIAARN CCCc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012769881 195116593 /nfs/dbraw/zinc/11/65/93/195116593.db2.gz DAEPJGTWYVFNDA-IBGZPJMESA-N 0 0 452.580 4.182 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)ccc1Cl ZINC000012771996 195118203 /nfs/dbraw/zinc/11/82/03/195118203.db2.gz UATSHKAEOTYTRF-UHFFFAOYSA-N 0 0 487.405 4.366 50 0 JIAARN COc1ccc(CCN(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1OC ZINC000012772346 195118452 /nfs/dbraw/zinc/11/84/52/195118452.db2.gz CLOLBJFWWOHZRZ-UHFFFAOYSA-N 0 0 451.489 4.035 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(Cl)c3)c12 ZINC000012777045 195121648 /nfs/dbraw/zinc/12/16/48/195121648.db2.gz 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O=C(/C=C/c1ccccc1)N1CCC(C(=O)Nc2ccc(I)cc2)CC1 ZINC000012784185 195126468 /nfs/dbraw/zinc/12/64/68/195126468.db2.gz ONVFQDUBHVBBFI-IZZDOVSWSA-N 0 0 460.315 4.182 50 0 JIAARN C[C@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccccc1Br ZINC000012785910 195128063 /nfs/dbraw/zinc/12/80/63/195128063.db2.gz JOZJMKFZVFPQHH-ZDUSSCGKSA-N 0 0 460.397 4.367 50 0 JIAARN O=C(c1sccc1-c1ccccc1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000012786104 195128286 /nfs/dbraw/zinc/12/82/86/195128286.db2.gz OEEGPZXUPZKLFL-UHFFFAOYSA-N 0 0 491.432 4.324 50 0 JIAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1 ZINC000012786093 195128401 /nfs/dbraw/zinc/12/84/01/195128401.db2.gz OJBWIICVKDPWPM-UHFFFAOYSA-N 0 0 473.595 4.138 50 0 JIAARN Cc1cc(C(=O)CSc2nc(C)nc3sc(C)c(C)c32)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000012786986 195129018 /nfs/dbraw/zinc/12/90/18/195129018.db2.gz UGZKLHBIEJGVGK-INIZCTEOSA-N 0 0 463.650 4.370 50 0 JIAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCC(=O)Nc1ccccc1Br ZINC000012787384 195129189 /nfs/dbraw/zinc/12/91/89/195129189.db2.gz LVDQHNJBIQLDPQ-UHFFFAOYSA-N 0 0 464.266 4.070 50 0 JIAARN Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000012788004 195129444 /nfs/dbraw/zinc/12/94/44/195129444.db2.gz UWWHLAZJQPEFBJ-UHFFFAOYSA-N 0 0 471.966 4.160 50 0 JIAARN NC(=O)CCN(Cc1ccccc1)C(=O)CSc1nc(-c2cccs2)nc2ccccc21 ZINC000012788891 195130118 /nfs/dbraw/zinc/13/01/18/195130118.db2.gz YKXYTDGYDNWDQQ-UHFFFAOYSA-N 0 0 462.600 4.355 50 0 JIAARN COc1cccc(NC(=O)COc2ccc(C(=O)NC[C@H](c3ccccc3Cl)N(C)C)cc2)c1 ZINC000012789828 195130905 /nfs/dbraw/zinc/13/09/05/195130905.db2.gz TVYAIGNPUSRWBQ-XMMPIXPASA-N 0 0 481.980 4.399 50 0 JIAARN CC(C)[C@H](Sc1ncnc2cc(-c3ccc(Br)cc3)sc21)C(=O)NC(N)=O ZINC000012793620 195134089 /nfs/dbraw/zinc/13/40/89/195134089.db2.gz YSSKYMWCPLKSEP-AWEZNQCLSA-N 0 0 465.398 4.432 50 0 JIAARN CCCCN1C(=O)C[C@H](C(=O)N(C)Cc2c(Cl)nc3sccn23)[C@H]1c1ccc(OC)cc1 ZINC000012791556 195132430 /nfs/dbraw/zinc/13/24/30/195132430.db2.gz XQWWBEAVMXNODR-FXAWDEMLSA-N 0 0 475.014 4.406 50 0 JIAARN CCc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000012793059 195133416 /nfs/dbraw/zinc/13/34/16/195133416.db2.gz FWJIAKVLTVZGCM-CZUORRHYSA-N 0 0 471.442 4.104 50 0 JIAARN COc1ccc(-c2cc(NC(=O)c3ccccc3SC[C@]3(C)NC(=O)NC3=O)ccc2OC)cc1 ZINC000012793041 195133530 /nfs/dbraw/zinc/13/35/30/195133530.db2.gz IOAOSDAVXMBNFF-SANMLTNESA-N 0 0 491.569 4.313 50 0 JIAARN CCc1ccccc1NC(=O)CN(C)C(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000012794138 195134193 /nfs/dbraw/zinc/13/41/93/195134193.db2.gz VIKZKGRNVLVKBI-SFHVURJKSA-N 0 0 465.497 4.168 50 0 JIAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000012794386 195134486 /nfs/dbraw/zinc/13/44/86/195134486.db2.gz XAFRGSHBIHYMOM-UHFFFAOYSA-N 0 0 450.438 4.419 50 0 JIAARN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N3CCN(CCOc4ccccc4)CC3)c12 ZINC000012794169 195134606 /nfs/dbraw/zinc/13/46/06/195134606.db2.gz RDXZKIFOSXBWJT-UHFFFAOYSA-N 0 0 456.546 4.343 50 0 JIAARN COCCn1c(S[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000012795513 195135472 /nfs/dbraw/zinc/13/54/72/195135472.db2.gz LXHBXRHSWPDIQH-MAUKXSAKSA-N 0 0 473.664 4.339 50 0 JIAARN COc1cc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc(OC)c1Br ZINC000012795841 195135894 /nfs/dbraw/zinc/13/58/94/195135894.db2.gz XVUDQXCFFILGKB-LBPRGKRZSA-N 0 0 454.390 4.407 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1cccc(NC(C)=O)c1)CC2 ZINC000012797093 195136763 /nfs/dbraw/zinc/13/67/63/195136763.db2.gz CIOKEVIDPSGWOJ-HHHXNRCGSA-N 0 0 459.546 4.248 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2n[nH]c(-c3ccc(Br)cc3)n2)cc1 ZINC000012797972 195137534 /nfs/dbraw/zinc/13/75/34/195137534.db2.gz AFNNHESPUZWBSV-NSHDSACASA-N 0 0 460.357 4.312 50 0 JIAARN Cc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000012798172 195137741 /nfs/dbraw/zinc/13/77/41/195137741.db2.gz NZIPYYPFJIJHOZ-IRXDYDNUSA-N 0 0 465.413 4.036 50 0 JIAARN O=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012798446 195137925 /nfs/dbraw/zinc/13/79/25/195137925.db2.gz WSMPUCUCPVIYLD-OAQYLSRUSA-N 0 0 487.603 4.445 50 0 JIAARN COc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000012803325 195140451 /nfs/dbraw/zinc/14/04/51/195140451.db2.gz MECGHRAVKQYJFM-UHFFFAOYSA-N 0 0 470.513 4.075 50 0 JIAARN CCn1c(S[C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1OC ZINC000012808989 195143266 /nfs/dbraw/zinc/14/32/66/195143266.db2.gz HGVNYCBWLXYDTC-SIGOSDGXSA-N 0 0 483.638 4.249 50 0 JIAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000012809572 195143554 /nfs/dbraw/zinc/14/35/54/195143554.db2.gz PFSIUYAIIYVPNE-OAHLLOKOSA-N 0 0 461.349 4.155 50 0 JIAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012810973 195144347 /nfs/dbraw/zinc/14/43/47/195144347.db2.gz NMNAHNZDXOQIEY-QGZVFWFLSA-N 0 0 490.560 4.494 50 0 JIAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000012814722 195146327 /nfs/dbraw/zinc/14/63/27/195146327.db2.gz NDXWVKLIYQMNBP-NRFANRHFSA-N 0 0 481.597 4.301 50 0 JIAARN C[C@H](C(=O)Nc1ccc(Br)cc1Br)N(C)Cc1ccc2c(c1)OCCO2 ZINC000012816622 195146981 /nfs/dbraw/zinc/14/69/81/195146981.db2.gz TYJJAPISRCGXTH-GFCCVEGCSA-N 0 0 484.188 4.442 50 0 JIAARN O=C(CSc1nnc(NCCc2ccccc2)s1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012818972 195148461 /nfs/dbraw/zinc/14/84/61/195148461.db2.gz IHGIGNKUWHZMBZ-LJQANCHMSA-N 0 0 482.631 4.420 50 0 JIAARN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000012845074 195151993 /nfs/dbraw/zinc/15/19/93/195151993.db2.gz OKBRBFCYDSCOKJ-UHFFFAOYSA-N 0 0 494.598 4.302 50 0 JIAARN O=C(NCc1ccc2c(c1)OCO2)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000012847838 195153108 /nfs/dbraw/zinc/15/31/08/195153108.db2.gz QGRNCVSSXZMLCF-VQIMIIECSA-N 0 0 462.403 4.341 50 0 JIAARN O=C(Nc1ccc(Br)cc1Br)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000012850242 195154245 /nfs/dbraw/zinc/15/42/45/195154245.db2.gz PCFWHHKHLLXTHN-UHFFFAOYSA-N 0 0 463.129 4.120 50 0 JIAARN CC(=O)N1CCc2cc(NC(=O)COc3ccc(Br)cc3Br)ccc21 ZINC000012853824 195155973 /nfs/dbraw/zinc/15/59/73/195155973.db2.gz ZSDMHJRNIDKVOG-UHFFFAOYSA-N 0 0 468.145 4.138 50 0 JIAARN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 ZINC000012855975 195157498 /nfs/dbraw/zinc/15/74/98/195157498.db2.gz JKIWDVZNPMZZBW-UHFFFAOYSA-N 0 0 476.602 4.492 50 0 JIAARN CCOc1cc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc(OCC)c1OCC ZINC000012856252 195157862 /nfs/dbraw/zinc/15/78/62/195157862.db2.gz KSJNAYCYYXRQRK-UHFFFAOYSA-N 0 0 453.524 4.301 50 0 JIAARN COc1cc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)ccc1NC(=O)c1ccccc1Cl ZINC000012856419 195157867 /nfs/dbraw/zinc/15/78/67/195157867.db2.gz VURSNXULXIPONT-UHFFFAOYSA-N 0 0 497.960 4.499 50 0 JIAARN COc1ccccc1OCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1c(C)cccc1C ZINC000012858826 195158849 /nfs/dbraw/zinc/15/88/49/195158849.db2.gz QQHYTYCXYXIHAJ-UHFFFAOYSA-N 0 0 489.597 4.298 50 0 JIAARN COC(=O)c1cc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c32)cc(C(=O)OC)c1 ZINC000012861906 195159436 /nfs/dbraw/zinc/15/94/36/195159436.db2.gz SRDIPNKKHRSEGR-UHFFFAOYSA-N 0 0 451.460 4.085 50 0 JIAARN COc1ccc(CN2CCN(C(=O)c3sc(-c4ccc(OC)c(OC)c4)nc3C)CC2)cc1F ZINC000012866163 195161482 /nfs/dbraw/zinc/16/14/82/195161482.db2.gz GKGPIBGCJAKOOT-UHFFFAOYSA-N 0 0 485.581 4.241 50 0 JIAARN COc1ccc(N2C[C@H](C(=O)Nc3nc(-c4ccccc4)c(C(C)=O)s3)CC2=O)c(OC)c1 ZINC000012874480 195165172 /nfs/dbraw/zinc/16/51/72/195165172.db2.gz SAMZAEZCQARAEB-MRXNPFEDSA-N 0 0 465.531 4.022 50 0 JIAARN CCOc1ccc(NC(=O)COc2ccc(C)cc2Br)cc1S(=O)(=O)N(CC)CC ZINC000012874827 195165353 /nfs/dbraw/zinc/16/53/53/195165353.db2.gz CSFJOLTYOVYZOD-UHFFFAOYSA-N 0 0 499.427 4.204 50 0 JIAARN COc1cc([C@@H]2CN3C(=O)CN(C4CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C ZINC000012874646 195165515 /nfs/dbraw/zinc/16/55/15/195165515.db2.gz CFSWMBRBLQDITE-MMTVBGGISA-N 0 0 473.573 4.158 50 0 biogenic JIAARN COc1cccc([C@H]2CN3C(=O)CN(CCC(C)C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC ZINC000012878199 195167235 /nfs/dbraw/zinc/16/72/35/195167235.db2.gz WYGHZCYVLLKEDX-NGOKVRLYSA-N 0 0 475.589 4.263 50 0 biogenic JIAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000012881217 195168648 /nfs/dbraw/zinc/16/86/48/195168648.db2.gz GOEJGLCTQLXJFC-VWLOTQADSA-N 0 0 461.905 4.464 50 0 JIAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)c1ccccc1 ZINC000012888392 195171522 /nfs/dbraw/zinc/17/15/22/195171522.db2.gz NGOOMVFRDKJENK-NIPJQWCXSA-N 0 0 479.646 4.443 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000012889004 195171890 /nfs/dbraw/zinc/17/18/90/195171890.db2.gz AAILRALTNMTMKQ-HNNXBMFYSA-N 0 0 471.406 4.039 50 0 JIAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N(C)[C@H]1CCS(=O)(=O)C1)occ3-c1ccccc1 ZINC000012896429 195175370 /nfs/dbraw/zinc/17/53/70/195175370.db2.gz BFUKTHBSKAESPT-SFHVURJKSA-N 0 0 479.554 4.093 50 0 biogenic JIAARN CC(=O)Nc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)cc1Cl ZINC000012864240 195160768 /nfs/dbraw/zinc/16/07/68/195160768.db2.gz NJJPHRYWQZKCOS-UHFFFAOYSA-N 0 0 490.006 4.359 50 0 JIAARN Cc1ccc2c(c1)[C@H]1NC(=S)N(c3cccc(Br)c3)[C@@](C)(O2)[C@@H]1C(=O)N(C)C ZINC000020641757 195193445 /nfs/dbraw/zinc/19/34/45/195193445.db2.gz SELYXRYSNQBWMP-UEXGIBASSA-N 0 0 460.397 4.006 50 0 JIAARN COc1ccc(NC(=O)Cc2c(C)c3c(OC)cc4c(c3oc2=O)CCC(C)(C)O4)c(OC)c1 ZINC000012901514 195177559 /nfs/dbraw/zinc/17/75/59/195177559.db2.gz RZBGXUDXKJNKOI-UHFFFAOYSA-N 0 0 467.518 4.412 50 0 biogenic JIAARN COc1ccc(CNC(=O)CCc2c(C)c3c(OC)cc4c(c3oc2=O)CCC(C)(C)O4)cc1 ZINC000012902818 195178284 /nfs/dbraw/zinc/17/82/84/195178284.db2.gz JTWCCVUYGCKMGS-UHFFFAOYSA-N 0 0 465.546 4.471 50 0 biogenic JIAARN C[C@@H](NC(=O)[C@H](C)OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)c1ccc(F)cc1 ZINC000012905265 195179423 /nfs/dbraw/zinc/17/94/23/195179423.db2.gz WTNOTFZSPJTEEX-CVEARBPZSA-N 0 0 453.489 4.452 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 ZINC000012907172 195180215 /nfs/dbraw/zinc/18/02/15/195180215.db2.gz QMWXSZPQZYEFNK-UHFFFAOYSA-N 0 0 494.415 4.058 50 0 JIAARN Cc1cc(C)cc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000020617625 195189471 /nfs/dbraw/zinc/18/94/71/195189471.db2.gz UNUDERAWHUCWKZ-WCTVFOPTSA-N 0 0 457.486 4.459 50 0 JIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCN(CCc2ccncc2)CC1)occ3C(C)(C)C ZINC000020622278 195190310 /nfs/dbraw/zinc/19/03/10/195190310.db2.gz RGZPBZBPPGHRDF-UHFFFAOYSA-N 0 0 487.600 4.470 50 0 JIAARN O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000020676637 195201203 /nfs/dbraw/zinc/20/12/03/195201203.db2.gz NHYRSWQQPZSEIP-SANMLTNESA-N 0 0 456.546 4.085 50 0 JIAARN COc1cc(CN(C(=S)NCC(=O)N[C@@H]2CCCC[C@@H]2C)C2CCCC2)cc(OC)c1OC ZINC000020679784 195203425 /nfs/dbraw/zinc/20/34/25/195203425.db2.gz PYQNBHORNAPDAW-FXAWDEMLSA-N 0 0 477.671 4.026 50 0 JIAARN O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000020714696 195205829 /nfs/dbraw/zinc/20/58/29/195205829.db2.gz 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CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000065003015 521216458 /nfs/dbraw/zinc/21/64/58/521216458.db2.gz NDWSZYSRDOMLRA-UHFFFAOYSA-N 0 0 477.586 4.025 50 0 JIAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3C(F)(F)F)co2)s1 ZINC000016047785 521232334 /nfs/dbraw/zinc/23/23/34/521232334.db2.gz RLWPPXVSZSRBEY-UHFFFAOYSA-N 0 0 485.465 4.370 50 0 JIAARN CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)cc1OC ZINC000008614087 521241467 /nfs/dbraw/zinc/24/14/67/521241467.db2.gz BXXLPTMPJDQZOE-KRWDZBQOSA-N 0 0 451.548 4.252 50 0 JIAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002149566 521260977 /nfs/dbraw/zinc/26/09/77/521260977.db2.gz XPSWTAMVCRPOAY-KRWDZBQOSA-N 0 0 457.548 4.025 50 0 biogenic JIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2coc(CN(Cc3ccc(OCC)cc3)[C@H](C)CC)n2)C1 ZINC000036063848 521295327 /nfs/dbraw/zinc/29/53/27/521295327.db2.gz WNRDOHYEPOESEA-CTNGQTDRSA-N 0 0 471.598 4.289 50 0 JIAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(OC)c(O)c3)sc2c1 ZINC000033271728 521296839 /nfs/dbraw/zinc/29/68/39/521296839.db2.gz JFHKUUCMYZJDGX-OAHLLOKOSA-N 0 0 450.520 4.377 50 0 JIAARN CCOc1ccc2nc(N3CCC(C(=O)NCCc4ccc(OC)c(OC)c4)CC3)sc2c1 ZINC000020383369 521300449 /nfs/dbraw/zinc/30/04/49/521300449.db2.gz PLCIWQASTGMPGU-UHFFFAOYSA-N 0 0 469.607 4.288 50 0 JIAARN CCCCc1nn2c(nc(COC(=O)c3ccc(NC(=O)c4ccccc4C)cc3)cc2=O)s1 ZINC000008607900 521314006 /nfs/dbraw/zinc/31/40/06/521314006.db2.gz VWHOMZBEUAMKKA-UHFFFAOYSA-N 0 0 476.558 4.411 50 0 JIAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012507946 521325549 /nfs/dbraw/zinc/32/55/49/521325549.db2.gz UPNDFLQPDYMFOQ-UHFFFAOYSA-N 0 0 472.538 4.306 50 0 JIAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000019424155 521325700 /nfs/dbraw/zinc/32/57/00/521325700.db2.gz WBCYBZVHFKOJTB-UHFFFAOYSA-N 0 0 458.609 4.500 50 0 JIAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O ZINC000009337096 521332255 /nfs/dbraw/zinc/33/22/55/521332255.db2.gz SNQOJMJCCZTUCV-UHFFFAOYSA-N 0 0 481.599 4.315 50 0 JIAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000033122345 521338709 /nfs/dbraw/zinc/33/87/09/521338709.db2.gz WXOJPSUEZWFRNB-UHFFFAOYSA-N 0 0 499.618 4.354 50 0 JIAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CCC)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002147627 521347926 /nfs/dbraw/zinc/34/79/26/521347926.db2.gz RDOXSHPSXVWZJD-NRFANRHFSA-N 0 0 471.575 4.415 50 0 biogenic JIAARN CCOc1cccc(CNC(=O)C2CCN(c3nccn4nc(-c5cccc(OC)c5)cc34)CC2)c1 ZINC000033266701 521348265 /nfs/dbraw/zinc/34/82/65/521348265.db2.gz CHVVFGYKPPPKSV-UHFFFAOYSA-N 0 0 485.588 4.336 50 0 JIAARN CCN(Cc1ccccc1)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 ZINC000014883083 521356653 /nfs/dbraw/zinc/35/66/53/521356653.db2.gz KXYNEJQJNDVOLQ-UHFFFAOYSA-N 0 0 482.584 4.143 50 0 JIAARN CCN(Cc1ccccc1)C(=O)C1CCN(c2c(NC(C)=O)c(C)nn2-c2ccccc2)CC1 ZINC000021650387 521357895 /nfs/dbraw/zinc/35/78/95/521357895.db2.gz MLTRTNHWTPHLLZ-UHFFFAOYSA-N 0 0 459.594 4.404 50 0 JIAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000016684653 521376102 /nfs/dbraw/zinc/37/61/02/521376102.db2.gz XYBAAWZOCQQCTG-UHFFFAOYSA-N 0 0 482.539 4.290 50 0 JIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000026768006 521391911 /nfs/dbraw/zinc/39/19/11/521391911.db2.gz VRSDXNWFBOPZBC-AWEZNQCLSA-N 0 0 453.607 4.073 50 0 JIAARN CCCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064931034 521406191 /nfs/dbraw/zinc/40/61/91/521406191.db2.gz YVJHVGUJCJSHMK-LJQANCHMSA-N 0 0 474.583 4.408 50 0 JIAARN CCCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000064940933 521407801 /nfs/dbraw/zinc/40/78/01/521407801.db2.gz XDQANTRYRULRFE-LJQANCHMSA-N 0 0 456.593 4.269 50 0 JIAARN CCCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C(=O)NC4CCCC4)CC3)c2)cc1 ZINC000013357075 521410853 /nfs/dbraw/zinc/41/08/53/521410853.db2.gz HAHHCCHZRPTKMR-UHFFFAOYSA-N 0 0 497.661 4.351 50 0 JIAARN CCCc1ccc(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc1 ZINC000033249430 521415367 /nfs/dbraw/zinc/41/53/67/521415367.db2.gz MESDZCBAGWFDQV-UHFFFAOYSA-N 0 0 458.580 4.348 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(C2CCN(C(=O)Cc3ccc(OC)cc3)CC2)n1 ZINC000023433791 521424620 /nfs/dbraw/zinc/42/46/20/521424620.db2.gz WBFISJNETFTPPS-UHFFFAOYSA-N 0 0 477.561 4.150 50 0 JIAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NCCn1cc(Br)cn1 ZINC000002857643 521434464 /nfs/dbraw/zinc/43/44/64/521434464.db2.gz BJBTXNONMXTWES-UHFFFAOYSA-N 0 0 493.452 4.461 50 0 JIAARN CCOC(=O)c1cc(Cn2c3ccccc3nc2SCC(=O)Nc2ccc(F)cc2)on1 ZINC000033050820 521435666 /nfs/dbraw/zinc/43/56/66/521435666.db2.gz NZENHLJLJDRWLV-UHFFFAOYSA-N 0 0 454.483 4.119 50 0 JIAARN CCOc1cccc2cc(C(=O)Nc3ccc(-n4c(C)nc5ccccc5c4=O)cc3)c(=O)oc21 ZINC000033077542 521435929 /nfs/dbraw/zinc/43/59/29/521435929.db2.gz XWEBMERBTSSONG-UHFFFAOYSA-N 0 0 467.481 4.452 50 0 JIAARN CCOC(=O)c1cc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)cc(C(=O)OCC)c1 ZINC000014699870 521439130 /nfs/dbraw/zinc/43/91/30/521439130.db2.gz BEKPJOGYMZWZLF-UHFFFAOYSA-N 0 0 463.412 4.047 50 0 JIAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(c1cccc(SC)c1)C2=O ZINC000021878659 521453397 /nfs/dbraw/zinc/45/33/97/521453397.db2.gz BAGPWOTWWHCJDX-VWLOTQADSA-N 0 0 484.622 4.040 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccco3)C2=S)cc1 ZINC000016319867 521485228 /nfs/dbraw/zinc/48/52/28/521485228.db2.gz JNQGGWRVHVYKDL-OAQYLSRUSA-N 0 0 495.532 4.127 50 0 JIAARN CCOc1ccccc1CNC(=O)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000022584224 521489312 /nfs/dbraw/zinc/48/93/12/521489312.db2.gz UZLOYRDTLYMPSX-UHFFFAOYSA-N 0 0 496.611 4.376 50 0 JIAARN CCOc1ccccc1CNC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1 ZINC000035482838 521493100 /nfs/dbraw/zinc/49/31/00/521493100.db2.gz OUGNJTBEYIQACI-XMMPIXPASA-N 0 0 482.577 4.219 50 0 JIAARN CCOc1ccccc1CNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000020104990 521497060 /nfs/dbraw/zinc/49/70/60/521497060.db2.gz OUHCJYPXNZDCTK-KAYWLYCHSA-N 0 0 486.568 4.256 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccc(F)cc2)C3=O)cc1 ZINC000002716387 521497432 /nfs/dbraw/zinc/49/74/32/521497432.db2.gz ZTKZZONYVXRMFY-UHFFFAOYSA-N 0 0 476.504 4.218 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000067236979 521498021 /nfs/dbraw/zinc/49/80/21/521498021.db2.gz ZKUTVWYHGNTMNP-UHFFFAOYSA-N 0 0 476.558 4.238 50 0 JIAARN CCOc1ccccc1CNC(=O)[C@H]1CCCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)C1 ZINC000022597869 521498554 /nfs/dbraw/zinc/49/85/54/521498554.db2.gz XGZFBWKXGWMXLD-DEOSSOPVSA-N 0 0 496.611 4.376 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCC(C)C)cc1 ZINC000016447969 521500080 /nfs/dbraw/zinc/50/00/80/521500080.db2.gz STMVKIFWFWHADE-QFIPXVFZSA-N 0 0 481.549 4.084 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Cn2nc(SC)c(-c3nc(-c4ccc(C)cc4)no3)c2N)cc1 ZINC000046915130 521502291 /nfs/dbraw/zinc/50/22/91/521502291.db2.gz OBHMNDSNHMONFN-UHFFFAOYSA-N 0 0 492.561 4.028 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Cn2nc3c4ccccc4n(Cc4cccc(F)c4)cc-3c2=O)cc1 ZINC000008593326 521503004 /nfs/dbraw/zinc/50/30/04/521503004.db2.gz WTVNKICSXDXBSM-UHFFFAOYSA-N 0 0 498.514 4.306 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000033128182 521507593 /nfs/dbraw/zinc/50/75/93/521507593.db2.gz UPEIYYWOSIOADF-OAHLLOKOSA-N 0 0 471.966 4.490 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c43)C2)cc1 ZINC000008596452 521508875 /nfs/dbraw/zinc/50/88/75/521508875.db2.gz UZTFICRWHINRAS-GOSISDBHSA-N 0 0 489.507 4.456 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccc(C)cc3O2)cc1 ZINC000064985990 521509028 /nfs/dbraw/zinc/50/90/28/521509028.db2.gz KWHARMWCDQUEGK-DEOSSOPVSA-N 0 0 494.569 4.075 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4ccc(C)c(Cl)c4)n3)C2)cc1 ZINC000064928694 521510765 /nfs/dbraw/zinc/51/07/65/521510765.db2.gz RLJFMLLFZCAMQF-IBGZPJMESA-N 0 0 494.979 4.226 50 0 JIAARN CCOc1ccccc1N1CCN(CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1 ZINC000021633255 521516519 /nfs/dbraw/zinc/51/65/19/521516519.db2.gz FLMDLGRIVOKJIY-UHFFFAOYSA-N 0 0 458.534 4.248 50 0 JIAARN CCOc1ccccc1NC(=O)CN1c2cc(C(=O)N3CCCCC3)ccc2N2CCCC[C@H]2C1=O ZINC000035446134 521529137 /nfs/dbraw/zinc/52/91/37/521529137.db2.gz FYFLUXZWUXVZSQ-QHCPKHFHSA-N 0 0 490.604 4.056 50 0 JIAARN CCOc1ccccc1NC(=O)CSc1cn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc12 ZINC000017315994 521530927 /nfs/dbraw/zinc/53/09/27/521530927.db2.gz QDXCRLMLIDXOII-OALUTQOASA-N 0 0 481.618 4.407 50 0 JIAARN CCOc1ccccc1NC(=O)N1CCN(c2cc(-c3cc(F)ccc3OC)ncn2)CC1 ZINC000065008073 521538610 /nfs/dbraw/zinc/53/86/10/521538610.db2.gz VEFVLZPBPCONAU-UHFFFAOYSA-N 0 0 451.502 4.044 50 0 JIAARN CCN1C(=S)N[C@@H](c2ccc(NC(=O)Nc3ccc(OC)cc3OC)cc2)C(C(=O)OC)=C1C ZINC000016610653 521539572 /nfs/dbraw/zinc/53/95/72/521539572.db2.gz DHXVMZXHYUGBJY-NRFANRHFSA-N 0 0 484.578 4.046 50 0 JIAARN CCOc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000064985692 521547010 /nfs/dbraw/zinc/54/70/10/521547010.db2.gz ODNRKYQRGXRDDD-QFIPXVFZSA-N 0 0 472.950 4.334 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc(NC(=O)c2cc(C)cs2)s1 ZINC000042379262 521550879 /nfs/dbraw/zinc/55/08/79/521550879.db2.gz GFYFWYPTESLQLY-UHFFFAOYSA-N 0 0 462.578 4.068 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc2ccc(C(=O)Nc3cccc(C)c3)cn21 ZINC000033284304 521551350 /nfs/dbraw/zinc/55/13/50/521551350.db2.gz XGJQVUMORVDSKG-UHFFFAOYSA-N 0 0 489.557 4.198 50 0 JIAARN CCCc1nn2c(nc(COC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)cc2=O)s1 ZINC000015772372 521556650 /nfs/dbraw/zinc/55/66/50/521556650.db2.gz QBNXUYGACMGRQT-UHFFFAOYSA-N 0 0 462.531 4.021 50 0 JIAARN CCCc1nn2c(nc(COC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc2=O)s1 ZINC000015772371 521556829 /nfs/dbraw/zinc/55/68/29/521556829.db2.gz VVIUMWCIUHNORR-UHFFFAOYSA-N 0 0 482.949 4.366 50 0 JIAARN CCCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(O)c(OC)c2)s1 ZINC000002333343 521559130 /nfs/dbraw/zinc/55/91/30/521559130.db2.gz AITFEBQEIXSQDK-HXUWFJFHSA-N 0 0 463.515 4.369 50 0 JIAARN CCCc1noc(Cn2cnc3c4ccccc4n(CC(=O)Nc4c(C)cccc4CC)c3c2=O)n1 ZINC000033281026 521591668 /nfs/dbraw/zinc/59/16/68/521591668.db2.gz VCURTAMABBWWCP-UHFFFAOYSA-N 0 0 484.560 4.245 50 0 JIAARN CCOc1cnn(-c2ccc(Cl)cc2)c(=O)c1Nc1cccc(C(=O)NCc2ccccn2)c1 ZINC000036063702 521600610 /nfs/dbraw/zinc/60/06/10/521600610.db2.gz QIUNIEXNEWFVCB-UHFFFAOYSA-N 0 0 475.936 4.353 50 0 JIAARN CCOC(=O)c1sc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(O)c2)nc1C ZINC000016806264 521611794 /nfs/dbraw/zinc/61/17/94/521611794.db2.gz JGPNPCPOHFXWNY-SFHVURJKSA-N 0 0 480.473 4.329 50 0 JIAARN CCCn1c(=O)[nH]nc1S[C@H](C)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000016684994 521615769 /nfs/dbraw/zinc/61/57/69/521615769.db2.gz RPVPVVHRUVBHHX-CQSZACIVSA-N 0 0 453.593 4.301 50 0 JIAARN CCCn1c(SCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(C)c1 ZINC000009647220 521633252 /nfs/dbraw/zinc/63/32/52/521633252.db2.gz JVYBREAWVDEXNG-UHFFFAOYSA-N 0 0 465.623 4.436 50 0 JIAARN CCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1c(F)cc(F)cc1F ZINC000023454160 521636770 /nfs/dbraw/zinc/63/67/70/521636770.db2.gz XNWOYFRBPAXMNG-UHFFFAOYSA-N 0 0 485.553 4.177 50 0 JIAARN CCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1cc(F)ccc1F ZINC000023446862 521637089 /nfs/dbraw/zinc/63/70/89/521637089.db2.gz JEVMZFNOROFJFK-UHFFFAOYSA-N 0 0 467.563 4.038 50 0 JIAARN CCCn1c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2c2ccsc2c1=O ZINC000035483484 521641395 /nfs/dbraw/zinc/64/13/95/521641395.db2.gz NTZCCCKQKGTURO-UHFFFAOYSA-N 0 0 478.397 4.009 50 0 JIAARN CCCN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C(=O)c1ccccc1OC ZINC000036313280 521679601 /nfs/dbraw/zinc/67/96/01/521679601.db2.gz ABEFOBKWAKUCPF-UHFFFAOYSA-N 0 0 453.514 4.378 50 0 JIAARN CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 ZINC000069627369 521692940 /nfs/dbraw/zinc/69/29/40/521692940.db2.gz NZEYQSDNYDOGST-UHFFFAOYSA-N 0 0 468.918 4.187 50 0 JIAARN CCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccncc2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928215 521703196 /nfs/dbraw/zinc/70/31/96/521703196.db2.gz VNOKKYKMGDKPAH-JWQCQUIFSA-N 0 0 489.572 4.115 50 0 JIAARN CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@]12c1ccccc1N(Cc1ccccc1)C2=O ZINC000008915547 521706247 /nfs/dbraw/zinc/70/62/47/521706247.db2.gz VBQGUWVOYVQSQS-SSEXGKCCSA-N 0 0 494.547 4.466 50 0 JIAARN CCN1C[C@@H](CN(C)Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)Oc2ccccc21 ZINC000016423470 521727395 /nfs/dbraw/zinc/72/73/95/521727395.db2.gz YYUYMEVXTKPHNW-MRXNPFEDSA-N 0 0 460.481 4.066 50 0 JIAARN CCN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)Nc1ccc(Br)cc1)C[C@H]1CSCN12 ZINC000037447601 521731124 /nfs/dbraw/zinc/73/11/24/521731124.db2.gz LINGBLVQZCPFHR-ZJBJCVSYSA-N 0 0 472.408 4.044 50 0 biogenic JIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)Cc1ccco1 ZINC000036123096 521739317 /nfs/dbraw/zinc/73/93/17/521739317.db2.gz VHAZIMXTRSXZSV-OAQYLSRUSA-N 0 0 471.554 4.217 50 0 JIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@@H](C)CC ZINC000036123368 521739348 /nfs/dbraw/zinc/73/93/48/521739348.db2.gz LQPZVEFHTUTAOO-LAUBAEHRSA-N 0 0 461.603 4.470 50 0 JIAARN CCNC(=O)[C@H]1[C@@H](c2cccc(NC(=O)c3ccc(OC)cc3)c2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036218907 521747071 /nfs/dbraw/zinc/74/70/71/521747071.db2.gz BPUWJERFTHJLGB-JWQCQUIFSA-N 0 0 487.556 4.454 50 0 JIAARN CCc1cccc(NC(=O)C2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)c1 ZINC000033258875 521749270 /nfs/dbraw/zinc/74/92/70/521749270.db2.gz FTQMWMGYRCLKER-UHFFFAOYSA-N 0 0 467.573 4.257 50 0 JIAARN CCc1cccc(NC(=O)Cn2nc3c(SCc4ccc(Cl)cc4)nccn3c2=O)c1 ZINC000049008849 521756332 /nfs/dbraw/zinc/75/63/32/521756332.db2.gz ZAUXWPJQTIMIOV-UHFFFAOYSA-N 0 0 453.955 4.038 50 0 JIAARN COC(=O)c1c(NC(=O)Cc2ccccc2)c2cc(N[C@H](C)C(C)(C)O)cnc2n1CC(C)C ZINC000014747859 521764970 /nfs/dbraw/zinc/76/49/70/521764970.db2.gz OXXGULFDMRNORH-QGZVFWFLSA-N 0 0 466.582 4.231 50 0 JIAARN COC(=O)c1c(NC(=O)CCc2ccccc2)c2cc(N[C@H](C)CCn3cccn3)cnc2n1C ZINC000014531625 521766235 /nfs/dbraw/zinc/76/62/35/521766235.db2.gz TYNQVNCYJJMSDX-GOSISDBHSA-N 0 0 474.565 4.018 50 0 JIAARN 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Cc1ccc(C)n1-c1cccnc1N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000033034516 524220138 /nfs/dbraw/zinc/22/01/38/524220138.db2.gz BFWRWGXKIMTKNZ-UHFFFAOYSA-N 0 0 461.585 4.193 50 0 JIAARN Cc1cc(C)c(C(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)cc1C ZINC000021555012 524219975 /nfs/dbraw/zinc/21/99/75/524219975.db2.gz DNIAVGDANVSCOK-UHFFFAOYSA-N 0 0 465.619 4.019 50 0 JIAARN C[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O ZINC000002331121 524224796 /nfs/dbraw/zinc/22/47/96/524224796.db2.gz OBTOTBSUBPXLHS-BTYIYWSLSA-N 0 0 463.331 4.339 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CSc1nccnc1N1CCN(c2ccccc2)CC1 ZINC000021657164 524227506 /nfs/dbraw/zinc/22/75/06/524227506.db2.gz FEDUOBHNYJTZTM-UHFFFAOYSA-N 0 0 469.998 4.196 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc2ccc(C(=O)NCc3ccc(C)cc3)cn21 ZINC000033284642 524229637 /nfs/dbraw/zinc/22/96/37/524229637.db2.gz KMQWWQKBCFVELQ-UHFFFAOYSA-N 0 0 495.992 4.361 50 0 JIAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000035399320 524247094 /nfs/dbraw/zinc/24/70/94/524247094.db2.gz ZRPDIOHWTWFYIF-UHFFFAOYSA-N 0 0 461.946 4.384 50 0 biogenic JIAARN COc1ccc(Cn2c(N)c(S(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000002255114 524258462 /nfs/dbraw/zinc/25/84/62/524258462.db2.gz JTFHJZFVIZBIJO-UHFFFAOYSA-N 0 0 462.506 4.196 50 0 JIAARN COc1ccc(Cn2ccc3nc(C)c(C(=O)Nc4ccc(OC)c(OC)c4)cc3c2=O)cc1 ZINC000008583783 524261312 /nfs/dbraw/zinc/26/13/12/524261312.db2.gz SQDHXMQVROTOCQ-UHFFFAOYSA-N 0 0 459.502 4.031 50 0 JIAARN COc1ccc(Cn2cnc3c4ccccc4n(CC(=O)Nc4cccc(C(C)=O)c4)c3c2=O)cc1 ZINC000016842853 524264155 /nfs/dbraw/zinc/26/41/55/524264155.db2.gz AKEBAPFVFKIUAC-UHFFFAOYSA-N 0 0 480.524 4.249 50 0 JIAARN COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)OCCc3c(C)noc3C)c2n1 ZINC000021788966 524267686 /nfs/dbraw/zinc/26/76/86/524267686.db2.gz UXONHNQZBSIYKO-UHFFFAOYSA-N 0 0 460.412 4.428 50 0 JIAARN Cc1cc(C)c(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N4CCOCC4)ccc3n2)c(C)c1 ZINC000033087708 524290202 /nfs/dbraw/zinc/29/02/02/524290202.db2.gz SIWZFCSYLVYORC-UHFFFAOYSA-N 0 0 499.658 4.220 50 0 JIAARN Cc1cc(C)c(NC(=O)CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)c(C)c1 ZINC000008589695 524290626 /nfs/dbraw/zinc/29/06/26/524290626.db2.gz BTRWZBDHURZJOW-UHFFFAOYSA-N 0 0 451.592 4.156 50 0 JIAARN Cc1cccc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)Oc3ccccc32)cc1 ZINC000041157999 524308532 /nfs/dbraw/zinc/30/85/32/524308532.db2.gz BBYAHRDSMUMAMU-LJQANCHMSA-N 0 0 466.559 4.297 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)c(C)c1 ZINC000033114179 524315702 /nfs/dbraw/zinc/31/57/02/524315702.db2.gz RKHCQHATFIWVJM-UHFFFAOYSA-N 0 0 488.610 4.423 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCc2csc(-c3ccccc3)n2)cc1C ZINC000033282317 524315892 /nfs/dbraw/zinc/31/58/92/524315892.db2.gz NOYBFQOONSGPON-JOCHJYFZSA-N 0 0 483.659 4.247 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c(C)c1 ZINC000046124638 524318903 /nfs/dbraw/zinc/31/89/03/524318903.db2.gz ZURZEUILFUGEGO-SFHVURJKSA-N 0 0 470.620 4.284 50 0 JIAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCOCC1)c2NC(=O)CSc1ccccc1C ZINC000012523435 524349031 /nfs/dbraw/zinc/34/90/31/524349031.db2.gz RFPRXBBGLDLDFE-UHFFFAOYSA-N 0 0 455.605 4.425 50 0 JIAARN COc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 ZINC000033850915 524354412 /nfs/dbraw/zinc/35/44/12/524354412.db2.gz GPYWPPIGLCBSTA-HXUWFJFHSA-N 0 0 476.533 4.333 50 0 JIAARN COc1ccccc1C1CCN(C(=O)[C@@H](C)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000008618160 524377362 /nfs/dbraw/zinc/37/73/62/524377362.db2.gz IBLCWIZGTLCAON-GOSISDBHSA-N 0 0 476.543 4.026 50 0 JIAARN COc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)cc1OC ZINC000033331908 524398612 /nfs/dbraw/zinc/39/86/12/524398612.db2.gz POIIBVIXHJJYCS-UKZYFSOWSA-N 0 0 465.550 4.366 50 0 JIAARN Cc1ccc(CN(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000002835519 524403589 /nfs/dbraw/zinc/40/35/89/524403589.db2.gz BKBCSYUATMNWRI-UHFFFAOYSA-N 0 0 479.440 4.397 50 0 JIAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c4ccccc4nc3C(=O)N2Cc2cccs2)[C@@H]1C ZINC000021861580 524404135 /nfs/dbraw/zinc/40/41/35/524404135.db2.gz FLNUMZWSVXXHQQ-WTVMNDFJSA-N 0 0 450.608 4.453 50 0 JIAARN Cc1cc(C)cc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CC[C@H](C)C[C@@H]5C4=O)cc3)CC2=O)c1 ZINC000033680929 524414695 /nfs/dbraw/zinc/41/46/95/524414695.db2.gz WPGQABCIAJNACH-FQWSXGTCSA-N 0 0 474.557 4.188 50 0 JIAARN Cc1cc(C)cc(NC(=O)CC2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C(C)C)CC2)c1 ZINC000065086101 524416985 /nfs/dbraw/zinc/41/69/85/524416985.db2.gz ZBYIDPFVRCRSDI-UHFFFAOYSA-N 0 0 485.606 4.222 50 0 JIAARN COc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000037276943 524420588 /nfs/dbraw/zinc/42/05/88/524420588.db2.gz PWFMGFZKDIKOKS-UHFFFAOYSA-N 0 0 471.601 4.375 50 0 biogenic JIAARN Cc1cccc(CNC(=O)c2cccc(CN3c4ccccc4C(=O)N4CCC[C@H]4C3=O)c2)c1 ZINC000035458819 524427274 /nfs/dbraw/zinc/42/72/74/524427274.db2.gz NQRRDRYPWCRHGI-VWLOTQADSA-N 0 0 453.542 4.076 50 0 JIAARN COc1ccccc1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000018076719 524435434 /nfs/dbraw/zinc/43/54/34/524435434.db2.gz VIBWDNWJEPURJB-UHFFFAOYSA-N 0 0 458.967 4.099 50 0 JIAARN Cc1cc(C)cc(OCC(=O)N2N=C(c3ccc(Br)cc3)C[C@]2(O)C(F)(F)F)c1 ZINC000013942925 524441498 /nfs/dbraw/zinc/44/14/98/524441498.db2.gz HSBTUYWEKNMOBN-IBGZPJMESA-N 0 0 471.273 4.332 50 0 JIAARN COc1ccccc1CN1C(=O)c2cc(-c3ccccc3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021853838 524444401 /nfs/dbraw/zinc/44/44/01/524444401.db2.gz SIIAEFXPSGSWGQ-GDLZYMKVSA-N 0 0 480.568 4.290 50 0 JIAARN Cc1cc(C)cc(OCc2nc(CN(CCN3CCOCC3)C(=O)Cc3ccccc3)cs2)c1 ZINC000036105186 524453295 /nfs/dbraw/zinc/45/32/95/524453295.db2.gz ULQYARYVHLOHJC-UHFFFAOYSA-N 0 0 479.646 4.242 50 0 JIAARN Cc1cc(C)cc(OCc2nc(CN(CCN3CCOCC3)C(=O)c3ccccc3F)cs2)c1 ZINC000036105180 524454025 /nfs/dbraw/zinc/45/40/25/524454025.db2.gz NVAICUFUCPJZHH-UHFFFAOYSA-N 0 0 483.609 4.453 50 0 JIAARN COc1ccccc1CNC(=O)CCc1c(C)c2c(C)nn(-c3cccc(F)c3)c2nc1OC ZINC000046009230 524461371 /nfs/dbraw/zinc/46/13/71/524461371.db2.gz ILYUPVFWNTZIDE-UHFFFAOYSA-N 0 0 462.525 4.443 50 0 JIAARN COc1ccccc1CNC(=O)C[C@@H](c1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000008592352 524465881 /nfs/dbraw/zinc/46/58/81/524465881.db2.gz NXNFHNSIGNXTSC-QFIPXVFZSA-N 0 0 460.530 4.116 50 0 JIAARN COc1ccc(NC(=O)C2CCN(c3cc(C(=O)N4CCCCC4)ccn3)CC2)cc1Cl ZINC000033073686 524473940 /nfs/dbraw/zinc/47/39/40/524473940.db2.gz ABFFCCCNSGAVBM-UHFFFAOYSA-N 0 0 456.974 4.225 50 0 JIAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1OC ZINC000021858974 524478741 /nfs/dbraw/zinc/47/87/41/524478741.db2.gz DLELNEDKKIHMOX-LJAQVGFWSA-N 0 0 483.568 4.390 50 0 JIAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1CCc1cccs1 ZINC000021859083 524479542 /nfs/dbraw/zinc/47/95/42/524479542.db2.gz YLBVYSHHPNQVFW-MHZLTWQESA-N 0 0 473.598 4.485 50 0 JIAARN COc1ccccc1CNC(=O)c1ccc2c(c1)nc(N1CCCC1)n(-c1cccc(C)c1)c2=O ZINC000048990447 524484087 /nfs/dbraw/zinc/48/40/87/524484087.db2.gz UPBKKESEXOHCNU-UHFFFAOYSA-N 0 0 468.557 4.233 50 0 JIAARN Cc1cc(C)n(-c2ccc(CN3C(=O)N[C@@](C)(c4cccc(Br)c4)C3=O)cc2)n1 ZINC000030532375 524484511 /nfs/dbraw/zinc/48/45/11/524484511.db2.gz VRCUSWNYRQYIPS-QFIPXVFZSA-N 0 0 453.340 4.219 50 0 JIAARN Cc1ccc(CN2c3ccc(Br)cc3[C@@](O)(CC(=O)c3cccnc3)C2=O)cc1 ZINC000016489224 524485235 /nfs/dbraw/zinc/48/52/35/524485235.db2.gz JXFQAFNWPNCEPM-QHCPKHFHSA-N 0 0 451.320 4.160 50 0 JIAARN COc1ccccc1CNc1nc2c(S(=O)(=O)c3ccc(C)cc3)nnn2c2ccsc21 ZINC000020516301 524493513 /nfs/dbraw/zinc/49/35/13/524493513.db2.gz CNIIPXJGUYBPTK-UHFFFAOYSA-N 0 0 465.560 4.101 50 0 JIAARN Cc1ccc(CNC(=O)C2CCN(c3ccc4nnc(-c5ccc(Cl)cc5)n4n3)CC2)cc1 ZINC000033260109 524495150 /nfs/dbraw/zinc/49/51/50/524495150.db2.gz BCEKJHJSFWKIJQ-UHFFFAOYSA-N 0 0 460.969 4.286 50 0 JIAARN COc1ccc(NC(=O)CSC2=Nc3c(cnn3-c3cccc(Cl)c3)C3=NCCCN23)cc1 ZINC000012409801 524504095 /nfs/dbraw/zinc/50/40/95/524504095.db2.gz IRAMUGBWHQZKDY-UHFFFAOYSA-N 0 0 480.981 4.360 50 0 JIAARN COc1ccc(NC(=O)CSc2nccc(N3CCN(c4cc(C)ccc4C)CC3)n2)c(OC)c1 ZINC000065151287 524511374 /nfs/dbraw/zinc/51/13/74/524511374.db2.gz IFLLTFJBUYQJJX-UHFFFAOYSA-N 0 0 493.633 4.168 50 0 JIAARN Cc1cccc(N(CCCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(C)(=O)=O)c1 ZINC000013847510 524526045 /nfs/dbraw/zinc/52/60/45/524526045.db2.gz DPUUOTPTRNTELZ-UHFFFAOYSA-N 0 0 479.602 4.110 50 0 JIAARN COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(Cl)cc3)c2=O)cc1Cl ZINC000067218138 524528895 /nfs/dbraw/zinc/52/88/95/524528895.db2.gz FJYPRTPQXXHXKN-UHFFFAOYSA-N 0 0 476.341 4.168 50 0 JIAARN COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)cc1Cl ZINC000001784946 524534746 /nfs/dbraw/zinc/53/47/46/524534746.db2.gz MSEQUNIGFJGFBN-LBPRGKRZSA-N 0 0 460.987 4.305 50 0 JIAARN COc1ccc(NC(=O)Cn2ncc3c(C)n(Cc4cccc(Cl)c4)c(C)c3c2=O)cc1 ZINC000008611291 524534790 /nfs/dbraw/zinc/53/47/90/524534790.db2.gz MCEIEJBPIUCVNV-UHFFFAOYSA-N 0 0 450.926 4.164 50 0 JIAARN COc1ccc(NC(=O)N(CCc2ccccc2)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000018180198 524538759 /nfs/dbraw/zinc/53/87/59/524538759.db2.gz JKJRDGALJQVMHC-DEOSSOPVSA-N 0 0 473.529 4.113 50 0 JIAARN COc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c(OC)c1 ZINC000033113042 524545795 /nfs/dbraw/zinc/54/57/95/524545795.db2.gz WTHZJLWIEURVSV-AWEZNQCLSA-N 0 0 485.541 4.358 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2c3c(cn(-c4ccc(C)cc4)c2=O)C(=O)CC(C)(C)C3)CC1 ZINC000065000345 524550565 /nfs/dbraw/zinc/55/05/65/524550565.db2.gz PJWWYCIPWLSPCU-UHFFFAOYSA-N 0 0 499.611 4.272 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3ccc(Cn4c(=O)c5cccn5c5cccnc54)cc3)CC2)c1C ZINC000021860058 524550758 /nfs/dbraw/zinc/55/07/58/524550758.db2.gz DMCBCXCYFVLHKN-UHFFFAOYSA-N 0 0 491.595 4.277 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3nc4nc(-c5ccco5)cc(C(F)(F)F)n4n3)C[C@H]2C)c1 ZINC000033088479 524551812 /nfs/dbraw/zinc/55/18/12/524551812.db2.gz JWDLLNDHTUPRQK-OAHLLOKOSA-N 0 0 470.455 4.062 50 0 JIAARN Cc1ccc(CNC(=O)c2ccc(CN3c4ccccc4C(=O)N4CCC[C@H]4C3=O)cc2)cc1 ZINC000035458181 524557560 /nfs/dbraw/zinc/55/75/60/524557560.db2.gz UECBAFJFYDXJBV-VWLOTQADSA-N 0 0 453.542 4.076 50 0 JIAARN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)CC2=O)c1C ZINC000016044001 524565514 /nfs/dbraw/zinc/56/55/14/524565514.db2.gz VNKAOZINNLKMRM-QFIPXVFZSA-N 0 0 491.613 4.116 50 0 JIAARN COc1ccccc1N1CCN(c2ncnc3sc(C(=O)NCc4ccc(F)cc4)c(C)c32)CC1 ZINC000002931136 524566043 /nfs/dbraw/zinc/56/60/43/524566043.db2.gz HSULZJMRGVFDCO-UHFFFAOYSA-N 0 0 491.592 4.404 50 0 JIAARN COc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccc(C)cc4n3)cc2)c(OC)c1 ZINC000033068038 524578829 /nfs/dbraw/zinc/57/88/29/524578829.db2.gz KEYBMYVLWFVYNG-UHFFFAOYSA-N 0 0 460.490 4.243 50 0 JIAARN Cc1cccc(NC(=O)CN2CCN(CC(=O)N[C@H](c3ccc(C(C)C)cc3)C(C)C)CC2)c1C ZINC000022932197 524592885 /nfs/dbraw/zinc/59/28/85/524592885.db2.gz QJGTUTWTOKHQEN-LJAQVGFWSA-N 0 0 478.681 4.496 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccs2)c(OC)c1 ZINC000004759879 524602606 /nfs/dbraw/zinc/60/26/06/524602606.db2.gz JXIPGWHZKSQQRA-PKTZIBPZSA-N 0 0 482.558 4.332 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccs2)c(OC)c1 ZINC000004759877 524603367 /nfs/dbraw/zinc/60/33/67/524603367.db2.gz JXIPGWHZKSQQRA-DHIUTWEWSA-N 0 0 482.558 4.332 50 0 JIAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)C2)cc1 ZINC000008610734 524612815 /nfs/dbraw/zinc/61/28/15/524612815.db2.gz RGEZHHPJMPGXBY-FQEVSTJZSA-N 0 0 469.545 4.163 50 0 JIAARN Cc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)c2ccc(C(C)C)cc2)CC3)cc1 ZINC000033140447 524626352 /nfs/dbraw/zinc/62/63/52/524626352.db2.gz ACSBMHWVKZZDHU-UHFFFAOYSA-N 0 0 453.608 4.316 50 0 JIAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000012437696 524628471 /nfs/dbraw/zinc/62/84/71/524628471.db2.gz CAGZAJHGVUKCNC-PNHLSOANSA-N 0 0 497.960 4.450 50 0 JIAARN COc1ccccc1OC1CCN(C(=O)CC[C@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)CC1 ZINC000014881584 524654690 /nfs/dbraw/zinc/65/46/90/524654690.db2.gz GKYZTHIRYRKVAP-SANMLTNESA-N 0 0 470.997 4.390 50 0 JIAARN Cc1cccc(NC(=O)[C@H]2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)c1C ZINC000033259199 524656972 /nfs/dbraw/zinc/65/69/72/524656972.db2.gz DGXJQFDHNWZKOR-QFIPXVFZSA-N 0 0 467.573 4.312 50 0 JIAARN Cc1cccc(NC(=O)c2ccc(Cn3nc(N4CCN(c5ccccc5)CC4)ccc3=O)o2)c1C ZINC000008600038 524660543 /nfs/dbraw/zinc/66/05/43/524660543.db2.gz UMOVIQKUNTVGIP-UHFFFAOYSA-N 0 0 483.572 4.080 50 0 JIAARN Cc1ccc(C[C@@]2(CCC(=O)N(C)CCc3nc4cc(Cl)ccc4[nH]3)CCC(=O)N2)cc1 ZINC000012242474 524669088 /nfs/dbraw/zinc/66/90/88/524669088.db2.gz SARKGCNRWDGPIN-VWLOTQADSA-N 0 0 452.986 4.197 50 0 JIAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C(=O)c1ccco1)C1CC1 ZINC000036117842 524683049 /nfs/dbraw/zinc/68/30/49/524683049.db2.gz VFHPQYJNLAWIEZ-IBGZPJMESA-N 0 0 466.559 4.159 50 0 JIAARN COc1ccccc1OC[C@H](O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000016902824 524683892 /nfs/dbraw/zinc/68/38/92/524683892.db2.gz JSKYVVYVVDLZGE-WIYYLYMNSA-N 0 0 475.520 4.144 50 0 JIAARN COc1ccccc1OCc1nc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)c2cccc(F)c2)cs1 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COc1ccc(OC)c(CNC(=O)c2ccc(CN3c4cc(-c5ccccc5)nn4CCC3=O)cc2)c1 ZINC000021879681 524835076 /nfs/dbraw/zinc/83/50/76/524835076.db2.gz CVZKATBCUMHCAX-UHFFFAOYSA-N 0 0 496.567 4.434 50 0 JIAARN Cc1ccc(F)cc1NC(=O)CSc1nccnc1N1CCN(c2ccc(F)cc2)CC1 ZINC000021657015 524859312 /nfs/dbraw/zinc/85/93/12/524859312.db2.gz XWXCKTPANSWYQZ-UHFFFAOYSA-N 0 0 455.534 4.121 50 0 JIAARN Cc1ccc(F)cc1S(=O)(=O)N1CCC(c2nnc(C(=O)Nc3ccc(F)cc3F)s2)CC1 ZINC000033273330 524869510 /nfs/dbraw/zinc/86/95/10/524869510.db2.gz STMWJECEXACYPP-UHFFFAOYSA-N 0 0 496.536 4.084 50 0 JIAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCCC(C)C)c1 ZINC000036045608 524916553 /nfs/dbraw/zinc/91/65/53/524916553.db2.gz FVUKFYYZHFBYFB-FGZHOGPDSA-N 0 0 458.986 4.375 50 0 JIAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(-n4cnnn4)c3)[C@@H]2c2cccs2)cc1 ZINC000009223488 524918251 /nfs/dbraw/zinc/91/82/51/524918251.db2.gz PRENOEJCVYRHKB-NFBKMPQASA-N 0 0 458.547 4.155 50 0 JIAARN COc1ccc(OC)c2nc(N(C)C)c(CN(C[C@H]3CCCO3)C(=O)c3ccc(C)cc3)cc12 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/nfs/dbraw/zinc/46/85/72/525468572.db2.gz MTTGRMJJUYEQNL-GOSISDBHSA-N 0 0 477.590 4.479 50 0 JIAARN Cc1cccn2cc(COc3ccc(C(=O)N4CCC(NC(=O)c5ccccc5)CC4)cc3)nc12 ZINC000010895268 525474445 /nfs/dbraw/zinc/47/44/45/525474445.db2.gz YXDJRBGTXKOELE-UHFFFAOYSA-N 0 0 468.557 4.256 50 0 JIAARN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)o2)cc1 ZINC000008597143 525490356 /nfs/dbraw/zinc/49/03/56/525490356.db2.gz YASZWGUMQBJCTQ-UHFFFAOYSA-N 0 0 458.967 4.178 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000025469210 525492016 /nfs/dbraw/zinc/49/20/16/525492016.db2.gz PLDOFDQSBPTLFY-IBGZPJMESA-N 0 0 479.602 4.331 50 0 JIAARN Cc1cc([C@@H]2C[C@@H](C(=O)NCc3ccccn3)CN(C(=O)NCc3ccccc3)C2)ccc1F ZINC000034715879 525500141 /nfs/dbraw/zinc/50/01/41/525500141.db2.gz AHQCCYCYTVWEHJ-DHIUTWEWSA-N 0 0 460.553 4.161 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCc4cccnc4)cc3c2)cc1 ZINC000046058627 525500322 /nfs/dbraw/zinc/50/03/22/525500322.db2.gz LTWQXIKOLYMKEA-UHFFFAOYSA-N 0 0 451.573 4.360 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)C[C@@H](C)c4ccccc4)sc3C2)cc1 ZINC000021654592 525553820 /nfs/dbraw/zinc/55/38/20/525553820.db2.gz WGABGHHTBCXBGO-QGZVFWFLSA-N 0 0 455.605 4.331 50 0 JIAARN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1)c1ccccc1 ZINC000009378332 525578555 /nfs/dbraw/zinc/57/85/55/525578555.db2.gz XHHIYUSRWDWMEZ-VQTJNVASSA-N 0 0 474.586 4.403 50 0 JIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)NCc1ccccc1)C(=O)N2Cc1ccc(F)cc1 ZINC000036162862 525581235 /nfs/dbraw/zinc/58/12/35/525581235.db2.gz NQKAZKYHBRITON-AREMUKBSSA-N 0 0 477.561 4.493 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@H](C)c3ccccc3)c(=O)c3ccccc3n2C)cc1C ZINC000006142899 525590925 /nfs/dbraw/zinc/59/09/25/525590925.db2.gz DYBZTSHLBNZFGJ-LJQANCHMSA-N 0 0 489.597 4.447 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H]2c3cccc4cccc(c34)[C@@H]2Sc2nnc(N)s2)cc1 ZINC000002214737 525590973 /nfs/dbraw/zinc/59/09/73/525590973.db2.gz BXNNOWWWMMFQCK-OALUTQOASA-N 0 0 454.602 4.449 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Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCC3)cc2)cc1 ZINC000016310550 525603956 /nfs/dbraw/zinc/60/39/56/525603956.db2.gz MTSZBMCZXDEWDZ-UHFFFAOYSA-N 0 0 463.559 4.284 50 0 JIAARN Cc1ccn2c(=O)cc(CN(Cc3ccccc3)S(=O)(=O)c3cccc(Cl)c3)nc2c1 ZINC000023658222 525607405 /nfs/dbraw/zinc/60/74/05/525607405.db2.gz VIWKKPFQNXUOFY-UHFFFAOYSA-N 0 0 453.951 4.047 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC[C@H](C[NH+]4CCCC4)C3)c(C(=O)[O-])c2)c(C)c1 ZINC000033253738 525607480 /nfs/dbraw/zinc/60/74/80/525607480.db2.gz PNUKAYSTVNAOMD-HXUWFJFHSA-N 0 0 471.623 4.115 50 0 JIAARN Cc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000046842854 525628424 /nfs/dbraw/zinc/62/84/24/525628424.db2.gz KZQXKGVCWUQAPZ-IYBDPMFKSA-N 0 0 473.499 4.138 50 0 JIAARN Cc1c(C(=O)Nc2ccc(C)cc2Cl)nnn1CC(=O)Nc1ccc(Br)cc1F ZINC000067323255 525655018 /nfs/dbraw/zinc/65/50/18/525655018.db2.gz XGGVODFRPNVEKY-UHFFFAOYSA-N 0 0 480.725 4.341 50 0 JIAARN Cc1cc2nc(COc3cc(Cl)ccc3NC(=O)COc3c(C)cccc3C)cc(=O)n2o1 ZINC000035378635 525672336 /nfs/dbraw/zinc/67/23/36/525672336.db2.gz NPSYBXGLDVCZPP-UHFFFAOYSA-N 0 0 467.909 4.463 50 0 JIAARN COc1ccc2nc(NC(=O)c3nc(S(=O)(=O)Cc4ccc(C)cc4)ncc3Cl)sc2c1 ZINC000008613834 525674370 /nfs/dbraw/zinc/67/43/70/525674370.db2.gz GWIKAAHLVJNAMY-UHFFFAOYSA-N 0 0 488.978 4.283 50 0 JIAARN Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c2cc1C ZINC000021848645 525689808 /nfs/dbraw/zinc/68/98/08/525689808.db2.gz DDPRZMJMRLGBSS-UHFFFAOYSA-N 0 0 462.571 4.070 50 0 JIAARN COc1cccc(-c2cc3c(N4CCC(C(=O)NCc5ccc(F)cc5F)CC4)nccn3n2)c1 ZINC000033266706 525708749 /nfs/dbraw/zinc/70/87/49/525708749.db2.gz PDQDPVFMIGEHDG-UHFFFAOYSA-N 0 0 477.515 4.216 50 0 JIAARN Cc1ccc(-c2c3c(c4n2-c2ccccc2N[C@@H]4c2cccc(O)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000021658997 525709782 /nfs/dbraw/zinc/70/97/82/525709782.db2.gz IHFCSUZZTPDYDY-HSZRJFAPSA-N 0 0 464.525 4.224 50 0 JIAARN COc1cccc(-c2nc(Cn3nnc(C(=O)Nc4cc(Cl)ccc4C)c3N)c(C)o2)c1OC ZINC000033291591 525726599 /nfs/dbraw/zinc/72/65/99/525726599.db2.gz ZDZQPSMGRSGWEQ-UHFFFAOYSA-N 0 0 482.928 4.103 50 0 JIAARN COc1cccc(-c2nc(Cn3nnc(C(=O)Nc4cc(C)cc(C)c4)c3C)c(C)o2)c1OC ZINC000064967522 525727197 /nfs/dbraw/zinc/72/71/97/525727197.db2.gz CVUHIHAOTOWQAW-UHFFFAOYSA-N 0 0 461.522 4.485 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)c1 ZINC000033302591 525743617 /nfs/dbraw/zinc/74/36/17/525743617.db2.gz XLCXSNFMCQOIED-SFHVURJKSA-N 0 0 492.576 4.128 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)NCc3cccs3)C2)c1 ZINC000033175453 525743927 /nfs/dbraw/zinc/74/39/27/525743927.db2.gz FRMOUQUZAWIDGM-MRXNPFEDSA-N 0 0 480.615 4.050 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000033302353 525744316 /nfs/dbraw/zinc/74/43/16/525744316.db2.gz AFYUBIOHFZVJRN-UHFFFAOYSA-N 0 0 492.576 4.128 50 0 JIAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)C4CCC4)[C@@H](C)c4ccccc4)CC3)nn2)cc1 ZINC000036069607 525752768 /nfs/dbraw/zinc/75/27/68/525752768.db2.gz FFJRPMRRGVXYMK-QHCPKHFHSA-N 0 0 497.643 4.491 50 0 JIAARN Cc1ccc(-c2ccc3nnc(CCC(=O)NCc4ccc(Br)cc4)n3n2)cc1 ZINC000033309543 525757081 /nfs/dbraw/zinc/75/70/81/525757081.db2.gz UMLRDWKXZYBTBZ-UHFFFAOYSA-N 0 0 450.340 4.111 50 0 JIAARN COc1cccc(/C=C2/SC(=O)N(CNc3ccc(I)cc3)C2=O)c1 ZINC000016677444 525764660 /nfs/dbraw/zinc/76/46/60/525764660.db2.gz JDNHMQDDBVWBSX-MHWRWJLKSA-N 0 0 466.300 4.406 50 0 JIAARN COc1cccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000016264748 525765822 /nfs/dbraw/zinc/76/58/22/525765822.db2.gz JOWOFLZPOGYDPH-HYARGMPZSA-N 0 0 489.503 4.253 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)Cn1c2ccccc2c2ncn(Cc3nc(C4CC4)no3)c(=O)c21 ZINC000033281073 525768987 /nfs/dbraw/zinc/76/89/87/525768987.db2.gz GRIMCPGJIRFJGB-UHFFFAOYSA-N 0 0 488.935 4.260 50 0 JIAARN Cc1ccc(-c2csc3[nH]c(CN4CCN(Cc5ccc6c(c5)OCO6)CC4)nc(=O)c23)s1 ZINC000022785672 525785366 /nfs/dbraw/zinc/78/53/66/525785366.db2.gz LEHSWGNAPKWJHK-UHFFFAOYSA-N 0 0 480.615 4.068 50 0 JIAARN COc1cccc(C(=O)Cn2cnc3c2c(=O)n(C2CCCCC2)c(=O)n3-c2ccccc2C)c1 ZINC000034693372 525788030 /nfs/dbraw/zinc/78/80/30/525788030.db2.gz LGAMLBXXGPMAOG-UHFFFAOYSA-N 0 0 472.545 4.054 50 0 JIAARN Cc1ccc(-c2nc3c(c(C(N)=O)n2)n(Cc2ccccc2)c(=O)n3-c2ccc(C)c(C)c2)cc1 ZINC000064966070 525820000 /nfs/dbraw/zinc/82/00/00/525820000.db2.gz FORYXRVBDDFABV-UHFFFAOYSA-N 0 0 463.541 4.322 50 0 JIAARN COc1cccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2csc(COc3ccccc3OC)n2)c1 ZINC000034905839 525826264 /nfs/dbraw/zinc/82/62/64/525826264.db2.gz SUOSHWSTOPDWLK-WOJBJXKFSA-N 0 0 495.601 4.210 50 0 JIAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)CC(=O)N23)cc1 ZINC000002104485 525866976 /nfs/dbraw/zinc/86/69/76/525866976.db2.gz VEINISVGCJHJON-NEKDWFFYSA-N 0 0 479.536 4.090 50 0 biogenic JIAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CN3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1C ZINC000022792447 525872548 /nfs/dbraw/zinc/87/25/48/525872548.db2.gz ZEIQVDSVKLZEQN-GUMLZEOTSA-N 0 0 494.639 4.387 50 0 JIAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000033276244 525873167 /nfs/dbraw/zinc/87/31/67/525873167.db2.gz IVKDGONWQHHVNO-LBPRGKRZSA-N 0 0 478.933 4.020 50 0 JIAARN C[C@@H](OC(=O)CCNC(=O)CCC(=O)c1cccs1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000016046897 525887851 /nfs/dbraw/zinc/88/78/51/525887851.db2.gz BNZRAXADOFIONE-GOSISDBHSA-N 0 0 478.570 4.455 50 0 JIAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N(Cc2ccco2)Cc2ccccc2)C1=O ZINC000014184757 525894113 /nfs/dbraw/zinc/89/41/13/525894113.db2.gz FPJKSCRCPPULPM-NDEPHWFRSA-N 0 0 467.525 4.429 50 0 JIAARN C[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)N1CCCc2ccccc21 ZINC000022504459 525894542 /nfs/dbraw/zinc/89/45/42/525894542.db2.gz ICYJRXBCVMYXNQ-IBGZPJMESA-N 0 0 452.514 4.459 50 0 JIAARN Cc1ccc(-n2nc(N3CCCN(C(=O)Nc4ccccc4Br)CC3)ccc2=O)cc1 ZINC000033037560 525927838 /nfs/dbraw/zinc/92/78/38/525927838.db2.gz SPFCQNAHLLNXKZ-UHFFFAOYSA-N 0 0 482.382 4.048 50 0 JIAARN COc1cccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000021853844 525928497 /nfs/dbraw/zinc/92/84/97/525928497.db2.gz HWPFWDXHJQOSKM-LJAQVGFWSA-N 0 0 480.568 4.290 50 0 JIAARN COc1cccc(CN2C(=O)c3c(NC(C)=O)c4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)c1 ZINC000021866982 525928548 /nfs/dbraw/zinc/92/85/48/525928548.db2.gz KINPYFCCHYZLPC-MUUNZHRXSA-N 0 0 490.604 4.185 50 0 JIAARN COc1cccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)c1 ZINC000021882604 525968753 /nfs/dbraw/zinc/96/87/53/525968753.db2.gz RIOFRIUORCQNJK-INIZCTEOSA-N 0 0 453.608 4.393 50 0 JIAARN Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000022698279 525980523 /nfs/dbraw/zinc/98/05/23/525980523.db2.gz ACDSTCSZRMCSOQ-HHHXNRCGSA-N 0 0 470.573 4.119 50 0 JIAARN CSc1ccc(CCNC(=O)[C@H](C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1 ZINC000008614271 525985324 /nfs/dbraw/zinc/98/53/24/525985324.db2.gz BXHYWUFXGMWXHS-IBGZPJMESA-N 0 0 460.603 4.446 50 0 JIAARN Cc1c2cnn(CC(=O)N3CCC(Cc4ccccc4)CC3)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417247 525993555 /nfs/dbraw/zinc/99/35/55/525993555.db2.gz QLIMCYKGOGTZQR-UHFFFAOYSA-N 0 0 486.591 4.484 50 0 JIAARN COc1cccc(CNC(=O)[C@@H](C)n2ccc3cc(S(=O)(=O)N4CCCCCC4)ccc32)c1 ZINC000008593572 525994867 /nfs/dbraw/zinc/99/48/67/525994867.db2.gz LVKRHNUYJRNZBJ-LJQANCHMSA-N 0 0 469.607 4.092 50 0 JIAARN Cc1c2cnn(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)c2c(C)n1Cc1cccc(Cl)c1 ZINC000036118457 525995788 /nfs/dbraw/zinc/99/57/88/525995788.db2.gz AZSFJRRMSIXQBW-PONJGIIJSA-N 0 0 455.002 4.457 50 0 JIAARN C[C@H](Sc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@H](C)[C@H]1C)c1nc(N)nc(N(C)C)n1 ZINC000024906277 526002511 /nfs/dbraw/zinc/00/25/11/526002511.db2.gz KUKUQDQQTAOEHC-JTOWHCCKSA-N 0 0 453.616 4.080 50 0 JIAARN COc1cccc(CNC(=O)c2ccc(-c3nc(CCN(C)C(=O)c4ccc(C)cc4)no3)cc2)c1 ZINC000033273542 526005211 /nfs/dbraw/zinc/00/52/11/526005211.db2.gz UGEYKFAGZRHUIZ-UHFFFAOYSA-N 0 0 484.556 4.298 50 0 JIAARN COc1cccc(CNC(=O)c2ccc(-c3nc(CCN(C)C(=O)c4ccc(F)cc4)no3)cc2)c1 ZINC000033273522 526005243 /nfs/dbraw/zinc/00/52/43/526005243.db2.gz ZRNHFYGECPPNRB-UHFFFAOYSA-N 0 0 488.519 4.129 50 0 JIAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014128710 526008868 /nfs/dbraw/zinc/00/88/68/526008868.db2.gz FOEJSFPWJDWEGT-HNNXBMFYSA-N 0 0 497.602 4.122 50 0 JIAARN C[C@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000022819687 526012132 /nfs/dbraw/zinc/01/21/32/526012132.db2.gz MTMJZJWOMOVMLO-HNNXBMFYSA-N 0 0 475.540 4.459 50 0 JIAARN CSc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccccc4Br)o3)CC2=O)cc1 ZINC000033291240 526023122 /nfs/dbraw/zinc/02/31/22/526023122.db2.gz QYHOLMFSALLSAN-LBPRGKRZSA-N 0 0 473.352 4.327 50 0 JIAARN Cc1ccc(C(=O)Cn2cnc3c2c(=O)n(CCC(C)C)c(=O)n3-c2ccc(F)cc2)c(C)c1 ZINC000034695203 526051347 /nfs/dbraw/zinc/05/13/47/526051347.db2.gz HEYUEPIENKFHQC-UHFFFAOYSA-N 0 0 462.525 4.034 50 0 JIAARN Cc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccccc4Cl)nn3)CC2)C(C)C)cc1 ZINC000036062545 526068706 /nfs/dbraw/zinc/06/87/06/526068706.db2.gz QWGDTCNJEKYGKX-UHFFFAOYSA-N 0 0 492.023 4.305 50 0 JIAARN Cc1ccc(C(=O)N2CCC([C@@H](NC(=O)c3ccccc3Cl)C(=O)NCC(C)C)CC2)cc1 ZINC000036209867 526086766 /nfs/dbraw/zinc/08/67/66/526086766.db2.gz LDZHXGJNDWAZRY-HSZRJFAPSA-N 0 0 470.013 4.071 50 0 JIAARN COc1cccc(Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC4CCCCC4)cc3)c2=O)c1 ZINC000045899788 526108595 /nfs/dbraw/zinc/10/85/95/526108595.db2.gz CFUZGSJVKKAOCS-UHFFFAOYSA-N 0 0 497.595 4.201 50 0 JIAARN Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4ccccc4C(=O)NCc4ccccc4)CC3=O)c2c1 ZINC000020407616 526112693 /nfs/dbraw/zinc/11/26/93/526112693.db2.gz VDQMDIXYSKPMSU-HSZRJFAPSA-N 0 0 494.595 4.436 50 0 JIAARN CSc1cccc(NC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)c1 ZINC000020417499 526115892 /nfs/dbraw/zinc/11/58/92/526115892.db2.gz CZFFFWOBOIGFIX-UHFFFAOYSA-N 0 0 450.539 4.363 50 0 JIAARN Cc1ccc2c(CN3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc(=O)oc2c1C ZINC000021848637 526129890 /nfs/dbraw/zinc/12/98/90/526129890.db2.gz QGTFSTKOBXXHLD-UHFFFAOYSA-N 0 0 462.571 4.070 50 0 JIAARN Cc1ccc2c(c1)N(C(=O)CSc1ccc(N3CCN(c4cccc(Cl)c4)CC3)nn1)CCO2 ZINC000065025990 526166154 /nfs/dbraw/zinc/16/61/54/526166154.db2.gz PAHDXZIGFIVCIB-UHFFFAOYSA-N 0 0 496.036 4.283 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)C1CCN(C(=O)c2cccn2-c2cccnc2)CC1 ZINC000035479468 526166225 /nfs/dbraw/zinc/16/62/25/526166225.db2.gz XVLIWLFCWJSZIO-UHFFFAOYSA-N 0 0 467.367 4.434 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000033063038 526166564 /nfs/dbraw/zinc/16/65/64/526166564.db2.gz LQIIZSMASFVFCC-UHFFFAOYSA-N 0 0 498.786 4.339 50 0 JIAARN Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)O2 ZINC000064988597 526170390 /nfs/dbraw/zinc/17/03/90/526170390.db2.gz XCIWVYLRDRBNDL-QGZVFWFLSA-N 0 0 462.877 4.223 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)Cn1nc2c(SC3CCCCC3)nccn2c1=O ZINC000049008995 526171036 /nfs/dbraw/zinc/17/10/36/526171036.db2.gz AEONJOFJFALXSF-UHFFFAOYSA-N 0 0 476.400 4.025 50 0 JIAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N(C)C)c(Oc3ccc4c(c3)OCO4)cc1O2 ZINC000064986691 526172595 /nfs/dbraw/zinc/17/25/95/526172595.db2.gz VUKGUHJVTLPUKN-UHFFFAOYSA-N 0 0 468.487 4.124 50 0 JIAARN COc1cccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(C)cc2)CN(Cc2ccccc2)CC3)c1 ZINC000035456338 526182370 /nfs/dbraw/zinc/18/23/70/526182370.db2.gz JAMIVPFGLHUURT-UHFFFAOYSA-N 0 0 494.595 4.424 50 0 JIAARN C[C@@H](c1nnc(SCC(=O)c2ccc3c(c2)CC(=O)N3)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000009245645 526187237 /nfs/dbraw/zinc/18/72/37/526187237.db2.gz QMSVBXRHLHFQMB-INIZCTEOSA-N 0 0 479.581 4.423 50 0 JIAARN C[C@H](C(=O)O[C@@H](C)C(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018211967 526189045 /nfs/dbraw/zinc/18/90/45/526189045.db2.gz HQSZAYOBKOIGMH-MJSHHXBPSA-N 0 0 479.532 4.082 50 0 JIAARN Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2C)C(C)C)cc1 ZINC000012469817 526211814 /nfs/dbraw/zinc/21/18/14/526211814.db2.gz TZADNQFCNIEVQE-DSKINZAPSA-N 0 0 457.644 4.038 50 0 JIAARN Cc1cc(C(=O)CSc2nnc(N3CCOCC3)n2-c2ccc(C)cc2)c(C)n1C1CC1 ZINC000009712899 526215947 /nfs/dbraw/zinc/21/59/47/526215947.db2.gz QSVKPVPWDRIGOK-UHFFFAOYSA-N 0 0 451.596 4.141 50 0 JIAARN CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CCC4)c(N2CCN(CCO)CC2)n1 ZINC000020395000 526216153 /nfs/dbraw/zinc/21/61/53/526216153.db2.gz XZKZBJOLRVCKNY-UHFFFAOYSA-N 0 0 477.659 4.231 50 0 JIAARN CSc1nc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c(N2CCN(CCO)CC2)n1 ZINC000020358408 526216911 /nfs/dbraw/zinc/21/69/11/526216911.db2.gz LLPFHLVWRSYRPU-UHFFFAOYSA-N 0 0 487.695 4.050 50 0 JIAARN Cc1ccc2c(c1)c1ncn(Cc3nc(C(C)C)no3)c(=O)c1n2CC(=O)Nc1cccc(C)c1 ZINC000033281349 526217753 /nfs/dbraw/zinc/21/77/53/526217753.db2.gz OXHFUYATEYUYQF-UHFFFAOYSA-N 0 0 470.533 4.161 50 0 JIAARN Cc1ccc2c(c1)c1ncn(Cc3nc(C(C)C)no3)c(=O)c1n2CC(=O)Nc1cc(F)ccc1F ZINC000033281368 526218021 /nfs/dbraw/zinc/21/80/21/526218021.db2.gz DUJCBTQGHHWLIQ-UHFFFAOYSA-N 0 0 492.486 4.131 50 0 JIAARN Cc1ccc2c(c1)n(Cc1ccc(Cl)cc1)c(=O)c1nc(C(=O)NCc3ccccc3F)nn12 ZINC000021663380 526218070 /nfs/dbraw/zinc/21/80/70/526218070.db2.gz HOTIMWKXTAGAKM-UHFFFAOYSA-N 0 0 475.911 4.123 50 0 JIAARN CSc1nn(CC(=O)NCCC2=CCCCC2)c(N)c1-c1nc(-c2ccc(C)cc2)no1 ZINC000046915149 526223719 /nfs/dbraw/zinc/22/37/19/526223719.db2.gz LZRARNYKCPUIFR-UHFFFAOYSA-N 0 0 452.584 4.219 50 0 JIAARN CSc1nn(CC(=O)Nc2cccc3ccccc32)c(N)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000045986939 526226037 /nfs/dbraw/zinc/22/60/37/526226037.db2.gz MWVSTGSUQZWPDT-UHFFFAOYSA-N 0 0 487.006 4.465 50 0 JIAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)NC(C)(C)C)c1 ZINC000036122388 526237271 /nfs/dbraw/zinc/23/72/71/526237271.db2.gz CREYATLLLXAMDO-QFIPXVFZSA-N 0 0 485.650 4.482 50 0 JIAARN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)cc2)cc1 ZINC000008924040 526238174 /nfs/dbraw/zinc/23/81/74/526238174.db2.gz YWOOIKVUZQCTPU-OAQYLSRUSA-N 0 0 463.530 4.121 50 0 JIAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccc(F)cc3c2=O)cc1C ZINC000002687783 526241669 /nfs/dbraw/zinc/24/16/69/526241669.db2.gz AEEZYVGZSHLTFE-UHFFFAOYSA-N 0 0 472.472 4.356 50 0 JIAARN Cc1ccc2nc(CSc3nnc(NC(=O)Nc4ccc(C)c(F)c4)s3)cc(=O)n2c1 ZINC000041086318 526250707 /nfs/dbraw/zinc/25/07/07/526250707.db2.gz AJCCCWSQSFMPCB-UHFFFAOYSA-N 0 0 456.528 4.238 50 0 JIAARN O=C(NCCCc1ccccc1)C1CCN(c2nc3ccsc3c(=O)n2Cc2ccccc2)CC1 ZINC000033302428 526276964 /nfs/dbraw/zinc/27/69/64/526276964.db2.gz YWNSPJQUYJDKML-UHFFFAOYSA-N 0 0 486.641 4.472 50 0 JIAARN Cc1nn(CCCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c(=O)c2c3ccccc3sc21 ZINC000020467148 526279629 /nfs/dbraw/zinc/27/96/29/526279629.db2.gz CJVFPTCTXFFVEA-OAHLLOKOSA-N 0 0 463.559 4.348 50 0 JIAARN O=C(C1CC1)N1CCN(c2oc(-c3cccc(Cl)c3)nc2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000040488409 526285934 /nfs/dbraw/zinc/28/59/34/526285934.db2.gz IOXFJEJVDYVTAZ-UHFFFAOYSA-N 0 0 489.956 4.026 50 0 JIAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)O[C@@H](C)C(=O)NCCc1ccccc1 ZINC000021604347 526297233 /nfs/dbraw/zinc/29/72/33/526297233.db2.gz CUQBAOOZQXOOLD-INIZCTEOSA-N 0 0 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Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000941712 553877307 /nfs/dbraw/zinc/87/73/07/553877307.db2.gz NGLFFCHOIBJFMC-JOCHJYFZSA-N 0 0 476.916 4.038 50 0 JIAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000000947905 553879859 /nfs/dbraw/zinc/87/98/59/553879859.db2.gz PQXIKIJHDBZEPT-UHFFFAOYSA-N 0 0 478.526 4.225 50 0 JIAARN C[C@H]1CCc2c(sc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)c2C(N)=O)C1 ZINC000000951154 553881283 /nfs/dbraw/zinc/88/12/83/553881283.db2.gz SCLAANPFADBISS-ZDUSSCGKSA-N 0 0 459.527 4.025 50 0 JIAARN COc1ccc2nc(NC(=O)c3cc(OC)c(OC)c(OC)c3Br)sc2c1 ZINC000000951179 553881526 /nfs/dbraw/zinc/88/15/26/553881526.db2.gz HBVAKWLMNBFEDQ-UHFFFAOYSA-N 0 0 453.314 4.346 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1cnc3sc4c(c3c1=O)CCCC4)C[C@H](C)CC2 ZINC000000951861 553881557 /nfs/dbraw/zinc/88/15/57/553881557.db2.gz FVRPQULZQHABQB-CYBMUJFWSA-N 0 0 485.631 4.339 50 0 JIAARN CCCS(=O)(=O)c1c(C(=O)c2ccccc2)n2cc(C)cc(C)c2c1S(=O)(=O)CCC ZINC000000970613 553887222 /nfs/dbraw/zinc/88/72/22/553887222.db2.gz VCRWUOTZAPLZPS-UHFFFAOYSA-N 0 0 461.605 4.155 50 0 JIAARN CCOC(=O)N1CCC(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)C[C@H](C)CC4)CC1 ZINC000000971486 553887476 /nfs/dbraw/zinc/88/74/76/553887476.db2.gz HBNWJZUINRLIQS-LLVKDONJSA-N 0 0 484.544 4.373 50 0 JIAARN CCOc1cc(C(=O)NC(=S)Nc2ccc(Br)cn2)cc(OCC)c1OCC ZINC000000980485 553890644 /nfs/dbraw/zinc/89/06/44/553890644.db2.gz OTCSPDNHUBDASC-UHFFFAOYSA-N 0 0 468.373 4.167 50 0 JIAARN O=S(=O)(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000001167689 553920998 /nfs/dbraw/zinc/92/09/98/553920998.db2.gz SPEIGXBPZXILPC-UHFFFAOYSA-N 0 0 456.467 4.307 50 0 JIAARN COc1ccc(C)cc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000001171413 553922930 /nfs/dbraw/zinc/92/29/30/553922930.db2.gz QDSVOISMEOHANE-UHFFFAOYSA-N 0 0 498.601 4.472 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2)c2ccccc2)cc1 ZINC000001173922 553923974 /nfs/dbraw/zinc/92/39/74/553923974.db2.gz JQEPFBOAOVFTCP-UHFFFAOYSA-N 0 0 475.364 4.292 50 0 JIAARN Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1 ZINC000001263978 553938129 /nfs/dbraw/zinc/93/81/29/553938129.db2.gz MYHBIKWRUJGONG-UHFFFAOYSA-N 0 0 464.616 4.146 50 0 JIAARN O=C(Nc1ccc(NC(=S)NC(=O)c2ccccc2I)cc1)c1ccco1 ZINC000001411744 553967128 /nfs/dbraw/zinc/96/71/28/553967128.db2.gz NNAWSUULNAUTPU-UHFFFAOYSA-N 0 0 491.310 4.263 50 0 JIAARN CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)cc(CC)c12 ZINC000002091783 554035066 /nfs/dbraw/zinc/03/50/66/554035066.db2.gz GEKGHUNSXUGLBQ-HXUWFJFHSA-N 0 0 471.575 4.415 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2)c2ccccc2)cc1 ZINC000002095323 554039972 /nfs/dbraw/zinc/03/99/72/554039972.db2.gz XQYQYCYOSGGGHL-XMMPIXPASA-N 0 0 477.538 4.343 50 0 biogenic JIAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CCC(C)CC4)CC(=O)N32)c1 ZINC000002100762 554042575 /nfs/dbraw/zinc/04/25/75/554042575.db2.gz AGMRYLZCJAJOQF-XBTVQYMOSA-N 0 0 457.574 4.440 50 0 biogenic JIAARN CCCCCCN1CC(=O)N2[C@H](c3ccc(OC)c(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002104032 554044548 /nfs/dbraw/zinc/04/45/48/554044548.db2.gz VTYPCESUVMJVHC-WXVAWEFUSA-N 0 0 475.589 4.450 50 0 biogenic JIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)N32)c1 ZINC000002107727 554047690 /nfs/dbraw/zinc/04/76/90/554047690.db2.gz QKXPHLCBMWYFHQ-NVQXNPDNSA-N 0 0 481.508 4.431 50 0 biogenic JIAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3ccccc3)CC(=O)N21 ZINC000002108703 554048495 /nfs/dbraw/zinc/04/84/95/554048495.db2.gz HRFWDBNLHBTJOZ-SVEHJYQDSA-N 0 0 479.580 4.494 50 0 biogenic JIAARN CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(C)cc2oc(=O)cc(C)c12 ZINC000002148728 554068137 /nfs/dbraw/zinc/06/81/37/554068137.db2.gz XJVKXCVFHYEUSO-SFHVURJKSA-N 0 0 455.532 4.363 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000002176267 554077504 /nfs/dbraw/zinc/07/75/04/554077504.db2.gz CLCZUIYTIUNEMW-UHFFFAOYSA-N 0 0 472.607 4.379 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000002189295 554084898 /nfs/dbraw/zinc/08/48/98/554084898.db2.gz UCHCMICGJAOFFD-GTWFGUSFSA-N 0 0 498.604 4.269 50 0 JIAARN CCOC(=O)c1c2c(sc1Nc1cc3n(c(=O)n1)CCc1cc(OC)c(OC)cc1-3)CCCC2 ZINC000002202777 554091643 /nfs/dbraw/zinc/09/16/43/554091643.db2.gz AHELTMPYCNMXJL-UHFFFAOYSA-N 0 0 481.574 4.344 50 0 JIAARN CCOC(=O)[C@@](Nc1cccc(C(F)(F)F)c1)(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F ZINC000002207896 554093470 /nfs/dbraw/zinc/09/34/70/554093470.db2.gz YFDQNDZFCYFUFH-QGZVFWFLSA-N 0 0 484.418 4.226 50 0 JIAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3F)nnc2-c2ccccn2)cc1 ZINC000002226044 554103294 /nfs/dbraw/zinc/10/32/94/554103294.db2.gz JCLNQFPBUUDOLP-UHFFFAOYSA-N 0 0 453.474 4.347 50 0 JIAARN Nc1c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 ZINC000002247685 554112489 /nfs/dbraw/zinc/11/24/89/554112489.db2.gz MKXGVOVLNGQWPX-UHFFFAOYSA-N 0 0 450.470 4.326 50 0 JIAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)N2C1=O ZINC000002249809 554114083 /nfs/dbraw/zinc/11/40/83/554114083.db2.gz SUUGFPREGXKVQM-RBBKRZOGSA-N 0 0 496.585 4.495 50 0 JIAARN Cc1ccc(CNC(=O)c2c(N)n(-c3ccc4c(c3)OCO4)c3nc4ccccc4nc32)cc1 ZINC000002251134 554115238 /nfs/dbraw/zinc/11/52/38/554115238.db2.gz HJUOQOHCNFXWAA-UHFFFAOYSA-N 0 0 451.486 4.123 50 0 JIAARN CCCOc1ccc(-c2nc3s/c(=C4/c5ccccc5N(Cc5ccccc5)C4=O)c(=O)n3n2)cc1 ZINC000002263101 554122949 /nfs/dbraw/zinc/12/29/49/554122949.db2.gz BZMYSCPWAROTJO-VHXPQNKSSA-N 0 0 494.576 4.072 50 0 JIAARN CCOC(=O)[C@](O)(c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1)C(F)(F)F ZINC000002282759 554131678 /nfs/dbraw/zinc/13/16/78/554131678.db2.gz UIEPLLCXKLWRMO-GOSISDBHSA-N 0 0 495.306 4.433 50 0 JIAARN COc1cc(-n2c(N)c(C(=O)NCCc3ccccc3)c3nc4ccccc4nc32)cc(OC)c1OC ZINC000002291627 554135878 /nfs/dbraw/zinc/13/58/78/554135878.db2.gz YVZGDEPGAQVRBQ-UHFFFAOYSA-N 0 0 497.555 4.154 50 0 JIAARN COc1cc(-n2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)cc(OC)c1OC ZINC000002291895 554136227 /nfs/dbraw/zinc/13/62/27/554136227.db2.gz XRTLGVPUCSMGGT-UHFFFAOYSA-N 0 0 483.528 4.112 50 0 JIAARN COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000002317015 554146356 /nfs/dbraw/zinc/14/63/56/554146356.db2.gz VENPWJNUHWHMSM-JOCHJYFZSA-N 0 0 451.906 4.116 50 0 JIAARN Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000002338121 554154950 /nfs/dbraw/zinc/15/49/50/554154950.db2.gz PRQCOHVPGGEQMN-LHZHZUFTSA-N 0 0 490.774 4.386 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 ZINC000002351336 554161682 /nfs/dbraw/zinc/16/16/82/554161682.db2.gz ROGSUQJZNOJWSX-UHFFFAOYSA-N 0 0 459.531 4.237 50 0 JIAARN COC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 ZINC000002352572 554162217 /nfs/dbraw/zinc/16/22/17/554162217.db2.gz OSJFHTUJSGALPG-GFCCVEGCSA-N 0 0 455.312 4.110 50 0 JIAARN CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000002359089 554164894 /nfs/dbraw/zinc/16/48/94/554164894.db2.gz IYNGIUYZYRGOIN-UHFFFAOYSA-N 0 0 459.593 4.105 50 0 JIAARN Cc1sc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n(Cc3ccco3)c(=O)c2c1C ZINC000002369656 554169667 /nfs/dbraw/zinc/16/96/67/554169667.db2.gz PBEWJDRJDBXVIK-UHFFFAOYSA-N 0 0 469.544 4.176 50 0 JIAARN Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000002373737 554172137 /nfs/dbraw/zinc/17/21/37/554172137.db2.gz JULYUQMAITWJJG-CRAIPNDOSA-N 0 0 456.391 4.285 50 0 JIAARN Cc1ccc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2-c2ccccc2)cc1 ZINC000002379897 554175065 /nfs/dbraw/zinc/17/50/65/554175065.db2.gz PEHMSENOKHRMSC-UHFFFAOYSA-N 0 0 455.547 4.100 50 0 JIAARN Cc1cc(O[C@H](C)C(=O)N(Cc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000002395697 554182567 /nfs/dbraw/zinc/18/25/67/554182567.db2.gz QUXMHXOLFPBNSU-NVXWUHKLSA-N 0 0 456.391 4.285 50 0 JIAARN COC(=O)C1=NN(c2cccc(C)c2)[C@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 ZINC000002411631 554192280 /nfs/dbraw/zinc/19/22/80/554192280.db2.gz XBHGMSPELLCDMX-QFIPXVFZSA-N 0 0 455.561 4.304 50 0 JIAARN COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc(F)c2)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000002416783 554195684 /nfs/dbraw/zinc/19/56/84/554195684.db2.gz LZGMNHGRTATRGH-CRCYZHLCSA-N 0 0 498.579 4.475 50 0 JIAARN Cc1cccc(S(=O)(=O)c2c(N)n(Cc3ccc4c(c3)OCO4)c3nc4ccccc4nc32)c1 ZINC000002417773 554196212 /nfs/dbraw/zinc/19/62/12/554196212.db2.gz KIUVOCJRPAIWPA-UHFFFAOYSA-N 0 0 472.526 4.085 50 0 JIAARN CN1c2ccccc2[C@]2(C1=O)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCc1ccccc1 ZINC000002419486 554197536 /nfs/dbraw/zinc/19/75/36/554197536.db2.gz DTQSPOQGEABYJV-HHHXNRCGSA-N 0 0 470.912 4.365 50 0 JIAARN COc1ccc(OC)c([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nnc(C)s2)c1 ZINC000002421224 554198491 /nfs/dbraw/zinc/19/84/91/554198491.db2.gz HAHNARCNZYLDKT-SFHVURJKSA-N 0 0 469.906 4.373 50 0 JIAARN COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C2=C(N=3)c3ccccc3CC2)c1O ZINC000002434689 554206843 /nfs/dbraw/zinc/20/68/43/554206843.db2.gz PLYDCABCRXEJJD-GTWFGUSFSA-N 0 0 480.589 4.341 50 0 JIAARN CCOC(=O)C1=NN(c2ccccc2OC)[C@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 ZINC000002437014 554208149 /nfs/dbraw/zinc/20/81/49/554208149.db2.gz AJVZZDNJYOQHLL-QHCPKHFHSA-N 0 0 485.587 4.394 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)[C@@H](c1cccs1)N(C)C2=O ZINC000002496555 554228187 /nfs/dbraw/zinc/22/81/87/554228187.db2.gz XHUGGFZSAAKPBA-DHIUTWEWSA-N 0 0 480.542 4.086 50 0 JIAARN CCC(CC)c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)s1 ZINC000002628769 554251491 /nfs/dbraw/zinc/25/14/91/554251491.db2.gz JWOKQOAYMBCBIH-UHFFFAOYSA-N 0 0 470.620 4.441 50 0 aggregator JIAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O)NCCCc1ccccc1 ZINC000002629544 554252107 /nfs/dbraw/zinc/25/21/07/554252107.db2.gz VYWIJTJHGGWCQO-UHFFFAOYSA-N 0 0 476.916 4.046 50 0 JIAARN O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)NCc1ccc(F)cc1 ZINC000002630913 554252936 /nfs/dbraw/zinc/25/29/36/554252936.db2.gz LLYIZAGCIKRCPH-UHFFFAOYSA-N 0 0 469.563 4.136 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)c1C ZINC000002637216 554257499 /nfs/dbraw/zinc/25/74/99/554257499.db2.gz ZHHWCJYHBNFFMX-UHFFFAOYSA-N 0 0 480.517 4.043 50 0 JIAARN COc1ccc(-c2csc3ncnc(OCC(=O)NCCc4ccc(F)cc4)c23)cc1OC ZINC000002645441 554263033 /nfs/dbraw/zinc/26/30/33/554263033.db2.gz ZJTMZCIUDYQIEX-UHFFFAOYSA-N 0 0 467.522 4.252 50 0 JIAARN COc1ccc(C(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000002645235 554263053 /nfs/dbraw/zinc/26/30/53/554263053.db2.gz HQNCADJORVKVKZ-KRWDZBQOSA-N 0 0 485.558 4.030 50 0 JIAARN CCOC(=O)c1[nH]c(CSc2nnc(-c3ccc(Cl)cc3)n2C)c(C(=O)OCC)c1C ZINC000002645840 554263320 /nfs/dbraw/zinc/26/33/20/554263320.db2.gz KCWYCIMISWUSAN-UHFFFAOYSA-N 0 0 462.959 4.418 50 0 JIAARN COc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1C(C)=O ZINC000002646439 554263841 /nfs/dbraw/zinc/26/38/41/554263841.db2.gz QUAYIKWFUNBPKU-UHFFFAOYSA-N 0 0 457.118 4.440 50 0 JIAARN Cc1c(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)c(=O)n(-c2ccccc2)n1C ZINC000002647175 554264550 /nfs/dbraw/zinc/26/45/50/554264550.db2.gz NSPRYTFVAZJCMU-UHFFFAOYSA-N 0 0 469.617 4.192 50 0 JIAARN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3c(C)cc(Br)cc3C)CC2=O)cc1C ZINC000002648317 554265319 /nfs/dbraw/zinc/26/53/19/554265319.db2.gz MAFBCVSXZFPRKS-KRWDZBQOSA-N 0 0 473.367 4.218 50 0 JIAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C(C)C)c1 ZINC000002651280 554267177 /nfs/dbraw/zinc/26/71/77/554267177.db2.gz DTHJLBGEGBDLDK-FQEVSTJZSA-N 0 0 457.527 4.360 50 0 JIAARN Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n1Cc1ccccc1 ZINC000002651444 554267557 /nfs/dbraw/zinc/26/75/57/554267557.db2.gz OIUMHZIJPCQMIO-UHFFFAOYSA-N 0 0 491.539 4.221 50 0 JIAARN CCOC(=O)c1sc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC[C@@H]3C)c2)cc1C ZINC000002655261 554271137 /nfs/dbraw/zinc/27/11/37/554271137.db2.gz FHODOWVMBQFRJV-HNNXBMFYSA-N 0 0 480.608 4.057 50 0 JIAARN CCCCn1c(N)c(-c2nc(-c3ccccc3)c(C(=O)c3cc(F)ccc3F)s2)c(=O)n(C)c1=O ZINC000002659389 554273444 /nfs/dbraw/zinc/27/34/44/554273444.db2.gz BMVBSIDXHQGUIR-UHFFFAOYSA-N 0 0 496.539 4.229 50 0 JIAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2=O ZINC000002661742 554275048 /nfs/dbraw/zinc/27/50/48/554275048.db2.gz HNFPHRDBTIOMJO-BMLIUANNSA-N 0 0 451.367 4.163 50 0 JIAARN CCCCCCn1c(COc2ccccc2F)nnc1SCn1nnc2ccccc2c1=O ZINC000002662865 554276143 /nfs/dbraw/zinc/27/61/43/554276143.db2.gz NBHKFCVXGSDZTE-UHFFFAOYSA-N 0 0 468.558 4.431 50 0 JIAARN CCC[C@H](CNC(=O)COC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1Cl ZINC000002663319 554276476 /nfs/dbraw/zinc/27/64/76/554276476.db2.gz QEZRRYXBKJUCSV-VLIAUNLRSA-N 0 0 452.334 4.377 50 0 JIAARN Cc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCc2ccccc2)=C(C)N=3)cc1 ZINC000002671603 554279686 /nfs/dbraw/zinc/27/96/86/554279686.db2.gz ZWTVUJRERMGXCL-NLZIUFDSSA-N 0 0 486.618 4.349 50 0 JIAARN Cc1ccc(S(=O)(=O)N/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000002688417 554284414 /nfs/dbraw/zinc/28/44/14/554284414.db2.gz MAHSAELGYNOWRN-RFBIWTDZSA-N 0 0 461.543 4.405 50 0 JIAARN 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4.271 50 0 JIAARN Cc1c(S(=O)(=O)CCNC(=O)NCc2cccs2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000008808595 554688015 /nfs/dbraw/zinc/68/80/15/554688015.db2.gz PHTYWOSUFZVIGV-UHFFFAOYSA-N 0 0 485.606 4.472 50 0 JIAARN CC(C)CCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000008813322 554695671 /nfs/dbraw/zinc/69/56/71/554695671.db2.gz KCGKBOXDIZTBME-UHFFFAOYSA-N 0 0 480.634 4.493 50 0 JIAARN Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000008814637 554696689 /nfs/dbraw/zinc/69/66/89/554696689.db2.gz GNCHJZSXQZOOSN-UHFFFAOYSA-N 0 0 487.931 4.396 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000008818898 554702827 /nfs/dbraw/zinc/70/28/27/554702827.db2.gz PFKFGWQZMFKZPT-OAORYMKYSA-N 0 0 456.567 4.129 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)N3CCN(c4ncccn4)CC3)c12 ZINC000008824330 554711194 /nfs/dbraw/zinc/71/11/94/554711194.db2.gz RGCIHBVZPZUCHL-UHFFFAOYSA-N 0 0 481.585 4.210 50 0 JIAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000008824723 554711922 /nfs/dbraw/zinc/71/19/22/554711922.db2.gz BANMJFPJVBAAJW-VWLOTQADSA-N 0 0 481.552 4.159 50 0 JIAARN CSc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)C2=O)cc1 ZINC000008824798 554712154 /nfs/dbraw/zinc/71/21/54/554712154.db2.gz VXNWKHFKXIODBN-AHFVYKFHSA-N 0 0 498.626 4.433 50 0 JIAARN Cc1ccccc1-n1c(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)nnc1-c1cccnc1 ZINC000008825046 554713018 /nfs/dbraw/zinc/71/30/18/554713018.db2.gz IUQSXQIDEWNALB-UHFFFAOYSA-N 0 0 484.585 4.494 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1 ZINC000008825198 554713140 /nfs/dbraw/zinc/71/31/40/554713140.db2.gz AKRUYHNYHFVTGN-CZFGEVDDSA-N 0 0 474.557 4.312 50 0 JIAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC000008825445 554713634 /nfs/dbraw/zinc/71/36/34/554713634.db2.gz GNSCHVFWFYRZKU-UHFFFAOYSA-N 0 0 462.587 4.450 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)nc1 ZINC000008826456 554716345 /nfs/dbraw/zinc/71/63/45/554716345.db2.gz NBEYPBAZSORJRY-FQEVSTJZSA-N 0 0 485.656 4.304 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2CCC(C)C)cc1 ZINC000008828894 554719247 /nfs/dbraw/zinc/71/92/47/554719247.db2.gz QRUPMNJSLMXERI-OAQYLSRUSA-N 0 0 469.513 4.215 50 0 JIAARN COc1cc(Br)cc2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c(=O)oc21 ZINC000008843662 554741020 /nfs/dbraw/zinc/74/10/20/554741020.db2.gz XAECEVSPWIVEJS-UHFFFAOYSA-N 0 0 451.656 4.257 50 0 JIAARN CCCCOc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)cc1OCC ZINC000008845243 554741773 /nfs/dbraw/zinc/74/17/73/554741773.db2.gz ISKSUKHFPVEPIF-VWLOTQADSA-N 0 0 465.550 4.206 50 0 JIAARN Cc1cc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)n[nH]2)cc1C ZINC000008845278 554742109 /nfs/dbraw/zinc/74/21/09/554742109.db2.gz KQJOHPCYFIYTGI-HNNXBMFYSA-N 0 0 468.579 4.072 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 ZINC000008848815 554746395 /nfs/dbraw/zinc/74/63/95/554746395.db2.gz HYSWXKQZJAPJQS-KRWDZBQOSA-N 0 0 485.606 4.392 50 0 JIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)N3c4ccccc4C[C@H]3C)cs2)c1 ZINC000008850980 554747921 /nfs/dbraw/zinc/74/79/21/554747921.db2.gz QFXOFWOARSFSCU-OAHLLOKOSA-N 0 0 453.589 4.403 50 0 JIAARN CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C2CCCC2)C1=O ZINC000008850931 554747936 /nfs/dbraw/zinc/74/79/36/554747936.db2.gz SLVWHLUGNSWGHE-RUZDIDTESA-N 0 0 498.653 4.202 50 0 JIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)N3c4ccccc4C[C@@H]3C)cs2)cc1 ZINC000008851461 554748301 /nfs/dbraw/zinc/74/83/01/554748301.db2.gz XVVUNHRZUJHUSB-HNNXBMFYSA-N 0 0 453.589 4.403 50 0 JIAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCCc1c[nH]c2ccccc12 ZINC000008861391 554758440 /nfs/dbraw/zinc/75/84/40/554758440.db2.gz NQKRFXFHCCJAEY-UHFFFAOYSA-N 0 0 453.608 4.024 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(C)cc4)C3=O)[C@H](c3ccco3)C2)cc1 ZINC000008862167 554759702 /nfs/dbraw/zinc/75/97/02/554759702.db2.gz MOZNBBRZVQZBLQ-CUNXSJBXSA-N 0 0 470.529 4.041 50 0 JIAARN Cc1ccc(-c2csc3[nH]c(CSc4ccc(S(=O)(=O)N5CCCC5)cn4)nc(=O)c23)cc1 ZINC000008862450 554760695 /nfs/dbraw/zinc/76/06/95/554760695.db2.gz GAJZLKSVOZKKQB-UHFFFAOYSA-N 0 0 498.655 4.432 50 0 JIAARN COc1cc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Br)cc2)cc(OC)c1OC ZINC000008869913 554764121 /nfs/dbraw/zinc/76/41/21/554764121.db2.gz DXAULOYAMZPUSQ-SFHVURJKSA-N 0 0 464.356 4.296 50 0 JIAARN COC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cc21 ZINC000008870374 554765134 /nfs/dbraw/zinc/76/51/34/554765134.db2.gz FEKCADDWIBFOQT-UHFFFAOYSA-N 0 0 450.472 4.356 50 0 JIAARN CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@H](C)c1ccccc1 ZINC000008876250 554771514 /nfs/dbraw/zinc/77/15/14/554771514.db2.gz UGJPRYZJYHYVFF-CAMXOCNWSA-N 0 0 465.619 4.053 50 0 biogenic JIAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)C1=O ZINC000008880419 554775783 /nfs/dbraw/zinc/77/57/83/554775783.db2.gz NSQHAZCLGMBPHY-NLFFAJNJSA-N 0 0 476.920 4.078 50 0 JIAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000008889920 554779838 /nfs/dbraw/zinc/77/98/38/554779838.db2.gz SGFZPFHFOFSASK-XRHLQHRESA-N 0 0 457.530 4.007 50 0 JIAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000008889925 554779883 /nfs/dbraw/zinc/77/98/83/554779883.db2.gz SGFZPFHFOFSASK-CLYVBNDRSA-N 0 0 457.530 4.007 50 0 JIAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCC2=CCCCC2)s1 ZINC000008912400 554802448 /nfs/dbraw/zinc/80/24/48/554802448.db2.gz ADPDQQQKCPWBKE-UHFFFAOYSA-N 0 0 454.639 4.380 50 0 JIAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N[C@@H]2CCCC[C@@H]2C)s1 ZINC000008912489 554802958 /nfs/dbraw/zinc/80/29/58/554802958.db2.gz CEBXOPJWGPNOOW-DOTOQJQBSA-N 0 0 456.655 4.459 50 0 JIAARN Cc1cc(C)c2oc(C(=O)N(Cc3ccc(C(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000008915264 554808695 /nfs/dbraw/zinc/80/86/95/554808695.db2.gz OBAOWCRZOBCQSL-OAQYLSRUSA-N 0 0 467.587 4.363 50 0 JIAARN CC(=O)Oc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SCCC(=O)N32)cc1 ZINC000008915515 554809315 /nfs/dbraw/zinc/80/93/15/554809315.db2.gz BFDYZIMIEORNSJ-JOCHJYFZSA-N 0 0 450.516 4.006 50 0 JIAARN CCCCN1c2ccccc2[C@@]2(C1=O)c1c(oc3ccccc3c1=O)C(=O)N2CCCOCC ZINC000008915553 554809597 /nfs/dbraw/zinc/80/95/97/554809597.db2.gz UKJPWRYUTFKUFV-MHZLTWQESA-N 0 0 460.530 4.066 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000008915926 554810052 /nfs/dbraw/zinc/81/00/52/554810052.db2.gz KJYITSPNACLWKI-FCKOQQNDSA-N 0 0 460.599 4.230 50 0 JIAARN CCCOc1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008916329 554810657 /nfs/dbraw/zinc/81/06/57/554810657.db2.gz PNGLEHVXHIDSPV-GOSISDBHSA-N 0 0 489.977 4.065 50 0 JIAARN CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCCn4ccnc4)CC(=O)N32)cc1 ZINC000008917761 554813291 /nfs/dbraw/zinc/81/32/91/554813291.db2.gz XJGDKXKAMHIQEE-NAKRPHOHSA-N 0 0 481.600 4.263 50 0 biogenic JIAARN COc1cccc(C(O)=C2[C@@H](C(C)=O)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000008918291 554814563 /nfs/dbraw/zinc/81/45/63/554814563.db2.gz BUQFKQBAPTVJQY-GFQWBHFJSA-N 0 0 464.521 4.257 50 0 biogenic JIAARN COc1ccc(N(CC(=O)NCCSC2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918899 554815774 /nfs/dbraw/zinc/81/57/74/554815774.db2.gz BRALLUITGWVDDP-UHFFFAOYSA-N 0 0 480.627 4.212 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CN1c2ccccc2S(=O)(=O)[C@@H](c2ccccc2)CC1=O ZINC000008931866 554826056 /nfs/dbraw/zinc/82/60/56/554826056.db2.gz HKNXSZZILIBGSB-JOCHJYFZSA-N 0 0 484.961 4.239 50 0 JIAARN C[C@H](CNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)c1ccccc1 ZINC000008933483 554827601 /nfs/dbraw/zinc/82/76/01/554827601.db2.gz JUQYRRNYZRSJMJ-LJQANCHMSA-N 0 0 468.532 4.459 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)c(C)n1C1CC1 ZINC000008936048 554830280 /nfs/dbraw/zinc/83/02/80/554830280.db2.gz HOLZXZHWTSVOEE-UHFFFAOYSA-N 0 0 455.558 4.399 50 0 JIAARN CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)c1ccc2ncsc2c1 ZINC000008937971 554830694 /nfs/dbraw/zinc/83/06/94/554830694.db2.gz DLASHXRBSMFOOH-UHFFFAOYSA-N 0 0 487.603 4.045 50 0 JIAARN CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 ZINC000008961229 554837649 /nfs/dbraw/zinc/83/76/49/554837649.db2.gz HFXCDQUJIZPWGZ-UHFFFAOYSA-N 0 0 451.504 4.440 50 0 JIAARN CCc1nn([C@@H](CC)C(=O)NCc2ccccc2Br)c(=O)c2cc3oc(C)cc3n21 ZINC000008965097 554839208 /nfs/dbraw/zinc/83/92/08/554839208.db2.gz BMINJRGJKIHJLT-INIZCTEOSA-N 0 0 471.355 4.143 50 0 JIAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000008966072 554841955 /nfs/dbraw/zinc/84/19/55/554841955.db2.gz TTXITYDRWIVJLB-STQMWFEESA-N 0 0 457.577 4.449 50 0 JIAARN COc1ccc(-n2c(=O)c3cc(O)ccc3nc2SCC(=O)Nc2ccc(C)c(F)c2)cc1OC ZINC000008988187 554850641 /nfs/dbraw/zinc/85/06/41/554850641.db2.gz JGQSNDYYSGIFAL-UHFFFAOYSA-N 0 0 495.532 4.287 50 0 JIAARN CCc1sc2nc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)n3ncnc3c2c1C ZINC000008990685 554852189 /nfs/dbraw/zinc/85/21/89/554852189.db2.gz MJWQVGGBZNFACJ-UHFFFAOYSA-N 0 0 455.975 4.217 50 0 JIAARN Cc1cc(C)nc(SCc2nc3cc(NC(=O)[C@H]4COc5ccccc5O4)ccc3n2C)n1 ZINC000008992735 554853294 /nfs/dbraw/zinc/85/32/94/554853294.db2.gz BWIKQELYHOTVEK-OAQYLSRUSA-N 0 0 461.547 4.051 50 0 JIAARN CCOc1ccc(N2C(=O)C[C@@H](N3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000009045424 554870010 /nfs/dbraw/zinc/87/00/10/554870010.db2.gz ZUEYGJSJWQHDKE-HHHXNRCGSA-N 0 0 484.596 4.365 50 0 JIAARN COc1ccc(CN2C(=S)N(c3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccccc2)cc1OC ZINC000009046690 554870784 /nfs/dbraw/zinc/87/07/84/554870784.db2.gz UMMIXMGXMYEEQN-OAQYLSRUSA-N 0 0 493.560 4.374 50 0 JIAARN O=C(Nc1nnc(C2CCCCC2)s1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000009050041 554871649 /nfs/dbraw/zinc/87/16/49/554871649.db2.gz 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O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000009389605 555150244 /nfs/dbraw/zinc/15/02/44/555150244.db2.gz HUJGUMSZCGNJRK-OAQYLSRUSA-N 0 0 491.642 4.467 50 0 JIAARN CCCCNS(=O)(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1 ZINC000009390197 555150722 /nfs/dbraw/zinc/15/07/22/555150722.db2.gz PLFPWTMJHBVGLV-UHFFFAOYSA-N 0 0 475.792 4.198 50 0 JIAARN C[C@H](NC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1C)c1ccccc1 ZINC000009390367 555151124 /nfs/dbraw/zinc/15/11/24/555151124.db2.gz PQMZYNDCPAGXEK-INIZCTEOSA-N 0 0 461.547 4.297 50 0 JIAARN CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000009390746 555152118 /nfs/dbraw/zinc/15/21/18/555152118.db2.gz FXLMJXWJARAZSY-UHFFFAOYSA-N 0 0 495.388 4.168 50 0 JIAARN CCOC(=O)[C@H](C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccc(OC)cc1 ZINC000009390864 555152571 /nfs/dbraw/zinc/15/25/71/555152571.db2.gz KFWIBOFFTMIVLS-BTVKBFDZSA-N 0 0 498.649 4.152 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3c3cccnc3)cc2)cc1OC 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CCn1c(CSc2n[nH]c(-c3ccccc3)n2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009466354 555242235 /nfs/dbraw/zinc/24/22/35/555242235.db2.gz MLWMTOSYMNIAMO-UHFFFAOYSA-N 0 0 482.635 4.308 50 0 JIAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3c4ccccc4[nH]c3-c3ccccc3)C2=O)cc1 ZINC000009466394 555242242 /nfs/dbraw/zinc/24/22/42/555242242.db2.gz NZEQAECFWODULV-HHHXNRCGSA-N 0 0 453.498 4.493 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)NC(=O)NCc3ccco3)n2C2CCCCC2)cc1 ZINC000009466308 555242248 /nfs/dbraw/zinc/24/22/48/555242248.db2.gz WAHOVSQARBADRG-UHFFFAOYSA-N 0 0 469.567 4.170 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nc3ccccc3[nH]2)c1 ZINC000009467266 555243986 /nfs/dbraw/zinc/24/39/86/555243986.db2.gz CJWKWIKGUCSESH-UHFFFAOYSA-N 0 0 468.966 4.362 50 0 JIAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c1C ZINC000009467468 555244481 /nfs/dbraw/zinc/24/44/81/555244481.db2.gz PFMGEINHFQHFSO-UHFFFAOYSA-N 0 0 483.546 4.049 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3ccccc3N3CCOCC3)c2)c1 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CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000013880172 555638809 /nfs/dbraw/zinc/63/88/09/555638809.db2.gz SIXKRCGMCACWEK-GOSISDBHSA-N 0 0 472.640 4.229 50 0 JIAARN CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3F)n2C)cc1 ZINC000013880492 555639032 /nfs/dbraw/zinc/63/90/32/555639032.db2.gz YOJSKVIHYRWTRW-UHFFFAOYSA-N 0 0 478.347 4.073 50 0 JIAARN CCOC(=O)CN(Cc1ccccc1)[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000020108132 555642735 /nfs/dbraw/zinc/64/27/35/555642735.db2.gz TVZXCDZHFBOAPJ-AREMUKBSSA-N 0 0 460.530 4.203 50 0 JIAARN CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000013897534 555644542 /nfs/dbraw/zinc/64/45/42/555644542.db2.gz YXLDZFCJYJHLCN-IQGLISFBSA-N 0 0 467.525 4.202 50 0 JIAARN COc1ccc([C@H]2[C@H](C(=O)N(C)Cc3ccccc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020112812 555650235 /nfs/dbraw/zinc/65/02/35/555650235.db2.gz POHPODDSRXZNNC-FTJBHMTQSA-N 0 0 474.557 4.282 50 0 JIAARN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 ZINC000010219137 555652372 /nfs/dbraw/zinc/65/23/72/555652372.db2.gz OBUWNZSFNLDBHW-UHFFFAOYSA-N 0 0 459.955 4.461 50 0 JIAARN CN(c1ccc(OCC(=O)N[C@@H]2CCSc3ccccc32)cc1)S(=O)(=O)c1cccs1 ZINC000010219178 555652377 /nfs/dbraw/zinc/65/23/77/555652377.db2.gz BPRIXVVTYQULQF-LJQANCHMSA-N 0 0 474.629 4.305 50 0 JIAARN Cc1cc(CSc2ccccc2C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)no1 ZINC000010220133 555653517 /nfs/dbraw/zinc/65/35/17/555653517.db2.gz RIAGYDGDXFTCRT-UHFFFAOYSA-N 0 0 479.558 4.495 50 0 JIAARN CCN1CCN(C(=O)[C@H](NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(C)C)CC1 ZINC000020116165 555653633 /nfs/dbraw/zinc/65/36/33/555653633.db2.gz LYPQJCJALBTQDU-AEYMSQMJSA-N 0 0 451.655 4.073 50 0 JIAARN CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(NC(=O)C(C)C)c4)s3)CC2=O)cc1 ZINC000013944522 555656164 /nfs/dbraw/zinc/65/61/64/555656164.db2.gz JGMPVXFTDUZNED-SFHVURJKSA-N 0 0 477.590 4.468 50 0 JIAARN CCc1ccc(N2C[C@H](c3nnc(NC(=O)COc4ccc(Cl)cc4)s3)CC2=O)cc1 ZINC000013944435 555656226 /nfs/dbraw/zinc/65/62/26/555656226.db2.gz HFNHRIZJOSQLPI-OAHLLOKOSA-N 0 0 456.955 4.292 50 0 JIAARN Cc1ccc2[nH]cc(CCNC(=O)[C@H]3CC(=O)N(CCc4c[nH]c5ccc(Cl)cc45)C3)c2c1 ZINC000013944798 555656867 /nfs/dbraw/zinc/65/68/67/555656867.db2.gz KNGAZUXYVVJKMZ-IBGZPJMESA-N 0 0 462.981 4.361 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 ZINC000013944887 555657250 /nfs/dbraw/zinc/65/72/50/555657250.db2.gz ZWANDZOKRLZKCV-OAHLLOKOSA-N 0 0 458.331 4.408 50 0 JIAARN CCn1c(CC(=O)Nc2cccc(C(F)(F)F)c2)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000013955869 555659955 /nfs/dbraw/zinc/65/99/55/555659955.db2.gz MCEOFVWJYSCFFG-RHSMWYFYSA-N 0 0 483.560 4.285 50 0 JIAARN CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1S[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000013956346 555660883 /nfs/dbraw/zinc/66/08/83/555660883.db2.gz APGWKNJZTMORAN-MRXNPFEDSA-N 0 0 472.640 4.289 50 0 JIAARN CCN(Cc1ccccc1)C(=O)Cn1c2ccsc2c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000020139022 555662211 /nfs/dbraw/zinc/66/22/11/555662211.db2.gz WNNNVAVKXCOXDB-UHFFFAOYSA-N 0 0 487.503 4.281 50 0 JIAARN COC(=O)c1ccc(OC)c(CN2c3ccccc3S(=O)(=O)N(c3cc(C)ccc3C)C2=O)c1 ZINC000010272571 555666814 /nfs/dbraw/zinc/66/68/14/555666814.db2.gz RROPDRWXFARZTC-UHFFFAOYSA-N 0 0 480.542 4.434 50 0 JIAARN CC(C)(C)NC(=O)NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000013988143 555667631 /nfs/dbraw/zinc/66/76/31/555667631.db2.gz FJZMGTAJIBLRGT-JQIJEIRASA-N 0 0 461.518 4.486 50 0 JIAARN COc1ccc(NC(=O)CC2(CC3=NS(=O)(=O)c4ccccc4N3)CCCC2)cc1OC ZINC000010273318 555667663 /nfs/dbraw/zinc/66/76/63/555667663.db2.gz NLPWQQXKCMIANN-UHFFFAOYSA-N 0 0 457.552 4.196 50 0 JIAARN Cc1ccc(Cl)cc1N1C(=O)N(CC(=O)N2CCCC[C@H]2C)c2ccccc2S1(=O)=O ZINC000010273604 555668222 /nfs/dbraw/zinc/66/82/22/555668222.db2.gz ZZUHUQQAXQXBJE-MRXNPFEDSA-N 0 0 461.971 4.185 50 0 JIAARN Cc1sc2c(c1C)c(=O)n(-c1cccc(C(F)(F)F)c1)c(=O)n2CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000020151748 555668503 /nfs/dbraw/zinc/66/85/03/555668503.db2.gz KIUUOPFEVRCMEW-KBPBESRZSA-N 0 0 493.551 4.354 50 0 JIAARN CCc1ccc(N2C(=O)CS(=O)(=O)[C@@]23c2ccccc2N(Cc2cc(C)ccc2C)C3=O)cc1 ZINC000010273781 555668894 /nfs/dbraw/zinc/66/88/94/555668894.db2.gz XFVZSEGNBKMQGZ-HHHXNRCGSA-N 0 0 474.582 4.027 50 0 JIAARN Cc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000020154394 555674036 /nfs/dbraw/zinc/67/40/36/555674036.db2.gz QAXXTAHRKHIHLE-KRWDZBQOSA-N 0 0 479.421 4.347 50 0 JIAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000010289589 555674124 /nfs/dbraw/zinc/67/41/24/555674124.db2.gz JBCLGQVPUHPBJH-JOCHJYFZSA-N 0 0 476.570 4.333 50 0 JIAARN CC(=O)Nc1scc(-c2cccs2)c1C(=O)OCC(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000014043823 555674648 /nfs/dbraw/zinc/67/46/48/555674648.db2.gz MFOGBZOSRYMTGU-NRFANRHFSA-N 0 0 494.598 4.231 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1[C@@H](C)c1ccccc1 ZINC000014066609 555675996 /nfs/dbraw/zinc/67/59/96/555675996.db2.gz XLIPULORGQUCOO-CBZJRKILSA-N 0 0 473.529 4.093 50 0 JIAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCC(C)C)cc1 ZINC000020176659 555682506 /nfs/dbraw/zinc/68/25/06/555682506.db2.gz PKZPBKBIFBLPNY-JOCHJYFZSA-N 0 0 453.539 4.306 50 0 JIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)c1 ZINC000014084254 555683227 /nfs/dbraw/zinc/68/32/27/555683227.db2.gz BWWUMYNKNQGYEB-HSZRJFAPSA-N 0 0 455.514 4.380 50 0 JIAARN O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000010327558 555686183 /nfs/dbraw/zinc/68/61/83/555686183.db2.gz DIEJRCILIJBOAT-UHFFFAOYSA-N 0 0 457.349 4.453 50 0 JIAARN COc1cccc(/C=C2/Oc3ccccc3N(CC(=O)NCCc3ccc(Cl)cc3)C2=O)c1 ZINC000020180828 555687272 /nfs/dbraw/zinc/68/72/72/555687272.db2.gz YPPSIDAKHQDLNB-LFVJCYFKSA-N 0 0 462.933 4.474 50 0 JIAARN O=C(CN1C(=O)/C(=C\c2ccccc2Cl)Oc2ccccc21)NC[C@@H]1COc2ccccc2O1 ZINC000020180798 555687338 /nfs/dbraw/zinc/68/73/38/555687338.db2.gz ONQMXOGZIWXUPK-QJTDOHDFSA-N 0 0 476.916 4.063 50 0 JIAARN Cc1ccc(C)c(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)o2)c1 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ZINC000015620153 555920008 /nfs/dbraw/zinc/92/00/08/555920008.db2.gz UBQMUGROKRCRQM-UHFFFAOYSA-N 0 0 487.647 4.355 50 0 JIAARN Cc1ccc(-c2cc(C(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)c3c(C)noc3n2)s1 ZINC000022311232 555920342 /nfs/dbraw/zinc/92/03/42/555920342.db2.gz KSGJRPSTOSCUEB-IBGZPJMESA-N 0 0 462.531 4.064 50 0 JIAARN CC[C@@H](C)C(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCc1nc(-c3ccccc3)cs1)C2 ZINC000012149448 555921563 /nfs/dbraw/zinc/92/15/63/555921563.db2.gz VTTSYVDJIILADZ-HIFRSBDPSA-N 0 0 468.604 4.313 50 0 JIAARN CC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)Cc3cccc(F)c3)CC2)[C@H]1OCc1ccncc1 ZINC000012149650 555921893 /nfs/dbraw/zinc/92/18/93/555921893.db2.gz FYWFLJBSCZIDEZ-IZLXSDGUSA-N 0 0 487.575 4.100 50 0 JIAARN Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)cc1 ZINC000022325234 555922051 /nfs/dbraw/zinc/92/20/51/555922051.db2.gz KQLOOOKJHDHUGD-HZPDHXFCSA-N 0 0 456.641 4.115 50 0 JIAARN COCCN(C(=O)c1c(=O)cc(C)n2c1C[C@H](c1ccccn1)Sc1ccccc1-2)C(C)C ZINC000012150828 555923105 /nfs/dbraw/zinc/92/31/05/555923105.db2.gz GLFUOZXYMBTYCQ-XMMPIXPASA-N 0 0 463.603 4.427 50 0 JIAARN COc1ccc(-c2nc(CN3CCN(C(=O)c4cc(Cl)ccc4OC)CC3)cs2)cc1 ZINC000022356593 555924084 /nfs/dbraw/zinc/92/40/84/555924084.db2.gz REXYJCWWVSXGNI-UHFFFAOYSA-N 0 0 457.983 4.439 50 0 JIAARN Cc1ccc([C@H](CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)N2CCOCC2)o1 ZINC000022357573 555924907 /nfs/dbraw/zinc/92/49/07/555924907.db2.gz CBSIFARCUBRTSB-NRFANRHFSA-N 0 0 482.581 4.298 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)Cc2cccc(Cl)c2)cc1 ZINC000022358449 555925460 /nfs/dbraw/zinc/92/54/60/555925460.db2.gz KFZWFSNFAVGMGD-UHFFFAOYSA-N 0 0 486.977 4.249 50 0 JIAARN O=C(C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000012152166 555925735 /nfs/dbraw/zinc/92/57/35/555925735.db2.gz ZWBCIDCOJAELDP-OFVILXPXSA-N 0 0 485.506 4.403 50 0 JIAARN Cc1ccc([C@H](C)NC(=O)CSc2nc(CN3CCOCC3)nc3ccccc32)cc1C ZINC000022373459 555926926 /nfs/dbraw/zinc/92/69/26/555926926.db2.gz 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4.141 50 0 JIAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCCCC2)N(C[C@@H]2CCCO2)C3=O)cc1 ZINC000015676776 555939864 /nfs/dbraw/zinc/93/98/64/555939864.db2.gz LXXLIWHGQYVADY-FIPFOOKPSA-N 0 0 494.636 4.181 50 0 JIAARN O=C(c1cc(F)ccc1Cl)N1CCN(Cc2cc(=O)c(OCc3ccc(F)cc3)co2)CC1 ZINC000022652059 555940668 /nfs/dbraw/zinc/94/06/68/555940668.db2.gz LDYKCAXJNYNJMA-UHFFFAOYSA-N 0 0 474.891 4.108 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCCCC1)N(C[C@@H]1CCCO1)C3=O ZINC000015677072 555941231 /nfs/dbraw/zinc/94/12/31/555941231.db2.gz WCXDHXHXAQJZMS-WXVAWEFUSA-N 0 0 467.610 4.273 50 0 JIAARN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000022708080 555944535 /nfs/dbraw/zinc/94/45/35/555944535.db2.gz AIJSPLXFGFQHNU-QMMMGPOBSA-N 0 0 472.419 4.414 50 0 JIAARN COC(=O)c1ccccc1NC(=O)C1CCN(c2nn3cc(-c4ccc(OC)cc4)nc3s2)CC1 ZINC000015679472 555945175 /nfs/dbraw/zinc/94/51/75/555945175.db2.gz VIJHVSAWVPULCL-UHFFFAOYSA-N 0 0 491.573 4.108 50 0 JIAARN Cc1ccccc1Cc1nc2cccnc2n1C1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 ZINC000012240624 555945253 /nfs/dbraw/zinc/94/52/53/555945253.db2.gz XGFUHFINLUQLIA-UHFFFAOYSA-N 0 0 494.599 4.337 50 0 JIAARN COc1cccc(CNC(=O)[C@H]2CCCN(c3nn4cc(-c5ccc(C)cc5)nc4s3)C2)c1OC ZINC000015679503 555945477 /nfs/dbraw/zinc/94/54/77/555945477.db2.gz MDGFLQASDWLXTF-FQEVSTJZSA-N 0 0 491.617 4.316 50 0 JIAARN Cc1ccccc1C[C@@H](C1CCN(C(=O)c2cc3ccccc3n2C)CC1)N(C)C(=O)Cn1cccn1 ZINC000012243083 555946388 /nfs/dbraw/zinc/94/63/88/555946388.db2.gz VSBVQCFNXOOZHU-MHZLTWQESA-N 0 0 497.643 4.305 50 0 JIAARN Cc1ccccc1C[C@H](C1CCN(C(=O)c2cc3ccccc3n2C)CC1)N(C)C(=O)Cn1cccn1 ZINC000012243084 555946394 /nfs/dbraw/zinc/94/63/94/555946394.db2.gz VSBVQCFNXOOZHU-HHHXNRCGSA-N 0 0 497.643 4.305 50 0 JIAARN O=C(N[C@@H](c1cccs1)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012269619 555947521 /nfs/dbraw/zinc/94/75/21/555947521.db2.gz KLMPWEHDSIXGBA-JOCHJYFZSA-N 0 0 476.570 4.333 50 0 JIAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3cccs3)c3ccccc3)CC2)c1 ZINC000012269075 555947533 /nfs/dbraw/zinc/94/75/33/555947533.db2.gz WEJZUSFYERMDIT-DEOSSOPVSA-N 0 0 482.627 4.257 50 0 JIAARN Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000012274454 555947800 /nfs/dbraw/zinc/94/78/00/555947800.db2.gz HRJFDNJFNDMGOG-UHFFFAOYSA-N 0 0 480.528 4.473 50 0 JIAARN COc1cccc(N2CCN(C(=O)c3c(C)nn(-c4ccc(F)cc4)c3-n3cccc3)CC2)c1 ZINC000015681658 555951142 /nfs/dbraw/zinc/95/11/42/555951142.db2.gz ZMHFPIFLHBWANA-UHFFFAOYSA-N 0 0 459.525 4.082 50 0 JIAARN O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 ZINC000015681622 555951160 /nfs/dbraw/zinc/95/11/60/555951160.db2.gz CFCBNBOTCHHQIT-HXUWFJFHSA-N 0 0 489.526 4.110 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)c1sc(-c3cc(OC)c(OC)c(OC)c3)nc1C)CC2 ZINC000012322357 555952450 /nfs/dbraw/zinc/95/24/50/555952450.db2.gz YLTLKPYIOKCRJF-UHFFFAOYSA-N 0 0 484.574 4.360 50 0 biogenic JIAARN O=S(=O)(c1ccc(Br)cc1)N1CCn2cccc2[C@@H]1c1ccc(F)c(F)c1 ZINC000012361494 555957819 /nfs/dbraw/zinc/95/78/19/555957819.db2.gz ONIOFWBIWIDYLB-IBGZPJMESA-N 0 0 453.308 4.323 50 0 JIAARN COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1OC ZINC000012361699 555958029 /nfs/dbraw/zinc/95/80/29/555958029.db2.gz BOJQUQZJFJGTQN-NRFANRHFSA-N 0 0 466.481 4.318 50 0 JIAARN CCOC(=O)C1CC[NH+]([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)CC1 ZINC000022851757 555958588 /nfs/dbraw/zinc/95/85/88/555958588.db2.gz GSHADIRIODMMQD-GOSISDBHSA-N 0 0 452.536 4.121 50 0 JIAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCCC1)N(Cc1ccc(CC)cc1)C2=O ZINC000015724122 555959852 /nfs/dbraw/zinc/95/98/52/555959852.db2.gz PFCLPAAJQHBTGT-MUUNZHRXSA-N 0 0 494.636 4.266 50 0 JIAARN COc1ccc(-c2noc(CN3CCC[C@H](C(=O)Nc4ccc(C)c(C)c4)C3)n2)cc1OC ZINC000015726254 555963886 /nfs/dbraw/zinc/96/38/86/555963886.db2.gz KMCJXMPJBCXGQC-IBGZPJMESA-N 0 0 450.539 4.221 50 0 JIAARN COc1ccc(-c2noc(CN3CCC(C(=O)N(C)c4ccc(C)c(C)c4)CC3)n2)cc1OC ZINC000015726360 555964294 /nfs/dbraw/zinc/96/42/94/555964294.db2.gz AJGLPRCKJFBBME-UHFFFAOYSA-N 0 0 464.566 4.246 50 0 JIAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCc1ccc(N2CCCC2=O)cc1 ZINC000012377103 555965310 /nfs/dbraw/zinc/96/53/10/555965310.db2.gz GNFCAGRWXPXCDY-UHFFFAOYSA-N 0 0 473.558 4.063 50 0 JIAARN O=C(Cn1c(=O)cc(C(=O)N2CCc3ccccc3C2)c2ccccc21)Nc1cccc(Cl)c1 ZINC000012377437 555966008 /nfs/dbraw/zinc/96/60/08/555966008.db2.gz GCCDWTBLYKNDPV-UHFFFAOYSA-N 0 0 471.944 4.492 50 0 biogenic,in-vitro JIAARN Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3cc(C)ccc3C)C2)no1 ZINC000015728948 555969086 /nfs/dbraw/zinc/96/90/86/555969086.db2.gz RQOMDIVYZHXTKG-SQUSKLHYSA-N 0 0 484.578 4.106 50 0 JIAARN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000022914747 555969489 /nfs/dbraw/zinc/96/94/89/555969489.db2.gz LEUSCTSEXLDSJU-GJZGRUSLSA-N 0 0 475.927 4.374 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)cc1 ZINC000015729596 555970380 /nfs/dbraw/zinc/97/03/80/555970380.db2.gz TUFSHPUAYIWIHT-INIZCTEOSA-N 0 0 454.552 4.008 50 0 JIAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)N2CCCCCC2)C(C)C)cc1 ZINC000012381961 555970490 /nfs/dbraw/zinc/97/04/90/555970490.db2.gz ULQNLUPKKNRALY-HSZRJFAPSA-N 0 0 451.567 4.105 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)CC1 ZINC000022919245 555973387 /nfs/dbraw/zinc/97/33/87/555973387.db2.gz JXNJUHGMQTXPSL-UHFFFAOYSA-N 0 0 487.629 4.025 50 0 JIAARN COc1cc(-c2nc(C)c(C(=O)N3CCO[C@@H](c4ccccc4)C3)s2)cc(OC)c1OC ZINC000012391173 555974229 /nfs/dbraw/zinc/97/42/29/555974229.db2.gz LYCBLLDAVYMHRA-HXUWFJFHSA-N 0 0 454.548 4.358 50 0 JIAARN C=C1C(N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000015733012 555977969 /nfs/dbraw/zinc/97/79/69/555977969.db2.gz XFJZCLLFAZIXLE-UHFFFAOYSA-N 0 0 467.591 4.136 50 0 JIAARN O=C(CN1c2ccccc2Sc2ncccc2C1=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000015736038 555982963 /nfs/dbraw/zinc/98/29/63/555982963.db2.gz JWEUAQOGPISTCC-UHFFFAOYSA-N 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4.419 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)sc3c2SC[C@@]2(C)COc4ccccc4[C@H]32)cc1 ZINC000012583073 556080362 /nfs/dbraw/zinc/08/03/62/556080362.db2.gz SKQPUMUIUOAOJU-CJFMBICVSA-N 0 0 496.610 4.362 50 0 JIAARN C[NH+]1CCN(c2ccc(Br)cc2[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012584805 556082247 /nfs/dbraw/zinc/08/22/47/556082247.db2.gz NOFHEWXIMYWQDH-UHFFFAOYSA-N 0 0 479.227 4.309 50 0 JIAARN O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000023685756 556083296 /nfs/dbraw/zinc/08/32/96/556083296.db2.gz MHVZTMVLPBHXFS-MHZLTWQESA-N 0 0 483.593 4.348 50 0 JIAARN Cc1ccc(C)c(-n2cnnc2S[C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000012588209 556085036 /nfs/dbraw/zinc/08/50/36/556085036.db2.gz TUYFRMRVMRKUTM-NXTQRVMMSA-N 0 0 453.612 4.159 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)COC(=O)c2cnc(C)cn2)cc1 ZINC000012590945 556087015 /nfs/dbraw/zinc/08/70/15/556087015.db2.gz QGCWBYMKHOGPRE-SANMLTNESA-N 0 0 480.524 4.482 50 0 JIAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N4CC[C@]5(O)CCCC[C@H]5C4)ccc32)cc1 ZINC000015954975 556088077 /nfs/dbraw/zinc/08/80/77/556088077.db2.gz ZWZJBKQPQGHQFE-UZTOHYMASA-N 0 0 463.530 4.001 50 0 biogenic JIAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000023796476 556088508 /nfs/dbraw/zinc/08/85/08/556088508.db2.gz VTIGUOLPTYETRY-UHFFFAOYSA-N 0 0 475.774 4.333 50 0 JIAARN COc1ccc(Nc2nc(COC(=O)CN3C(=O)N[C@]4(C[C@H](C)CC(C)(C)C4)C3=O)cs2)cc1 ZINC000023866972 556095564 /nfs/dbraw/zinc/09/55/64/556095564.db2.gz WUJNNTFCBVEDMQ-MYYSRTQBSA-N 0 0 486.594 4.075 50 0 JIAARN COc1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cn(C)c2ccccc12 ZINC000015974215 556097611 /nfs/dbraw/zinc/09/76/11/556097611.db2.gz QPXLVBYIKHAFPH-UHFFFAOYSA-N 0 0 452.624 4.108 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(NC3CCCCC3)s2)c1 ZINC000015980460 556099195 /nfs/dbraw/zinc/09/91/95/556099195.db2.gz IPVHQGCKYDLXJZ-UHFFFAOYSA-N 0 0 483.685 4.044 50 0 JIAARN CCOc1ccc([C@@]2(C)NC(=O)N(CN3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000023936322 556102592 /nfs/dbraw/zinc/10/25/92/556102592.db2.gz FDKSYBLQXRVMSI-RUZDIDTESA-N 0 0 464.591 4.299 50 0 JIAARN Cc1sc2nc(CN3CCN(C(=O)c4ccc(Oc5ccccc5)cc4)CC3)[nH]c(=O)c2c1C ZINC000023936505 556102638 /nfs/dbraw/zinc/10/26/38/556102638.db2.gz GPRCEUFUULBGDR-UHFFFAOYSA-N 0 0 474.586 4.352 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000015999003 556104005 /nfs/dbraw/zinc/10/40/05/556104005.db2.gz ZJOISBMKYHNDBR-QUMGSSFMSA-N 0 0 492.531 4.262 50 0 JIAARN C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)N1CCN(c2ccccn2)CC1 ZINC000023968442 556108896 /nfs/dbraw/zinc/10/88/96/556108896.db2.gz ZEKYRUUODQOVPV-IBGZPJMESA-N 0 0 457.603 4.431 50 0 JIAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000016009983 556108987 /nfs/dbraw/zinc/10/89/87/556108987.db2.gz PDLCOTZAEQZHFB-ZEMPLXOASA-N 0 0 470.356 4.041 50 0 JIAARN COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)Cn1cnc2sccc2c1=O ZINC000012759041 556108986 /nfs/dbraw/zinc/10/89/86/556108986.db2.gz FJBOPOVUEUVSEI-UHFFFAOYSA-N 0 0 459.936 4.265 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000012799043 556113927 /nfs/dbraw/zinc/11/39/27/556113927.db2.gz DDEUBOPSJBSGET-UHFFFAOYSA-N 0 0 481.043 4.162 50 0 JIAARN Cc1cc(C(=O)CSc2n[nH]c(-c3ccncc3)n2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000012805072 556114890 /nfs/dbraw/zinc/11/48/90/556114890.db2.gz KTOCHWIZXOPIHA-SFHVURJKSA-N 0 0 461.547 4.100 50 0 JIAARN Cc1nnc(SCC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)n1-c1cc(C)ccc1C ZINC000023995079 556115359 /nfs/dbraw/zinc/11/53/59/556115359.db2.gz NWTICIWOVKNWKG-UHFFFAOYSA-N 0 0 492.674 4.239 50 0 JIAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(Br)s2)c1C ZINC000024007735 556116319 /nfs/dbraw/zinc/11/63/19/556116319.db2.gz MIQCCYNFWPFHGK-OAHLLOKOSA-N 0 0 451.386 4.387 50 0 JIAARN COc1ccc(Cn2c(C)cc(O)c([C@@H](c3ccncc3)N3CCN(c4ccccc4)CC3)c2=O)cc1 ZINC000024022757 556116500 /nfs/dbraw/zinc/11/65/00/556116500.db2.gz WSGUPBAINBHUGG-GDLZYMKVSA-N 0 0 496.611 4.226 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C(F)(F)F)C2)cc1 ZINC000012843592 556116791 /nfs/dbraw/zinc/11/67/91/556116791.db2.gz WDJZMUZJARHBNO-HNNXBMFYSA-N 0 0 456.486 4.144 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000016033289 556117296 /nfs/dbraw/zinc/11/72/96/556117296.db2.gz DJEIXMPUWMBXGD-JVFUWBCBSA-N 0 0 467.953 4.096 50 0 JIAARN O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Nc1ccccc1Sc1ccccc1 ZINC000016043524 556122798 /nfs/dbraw/zinc/12/27/98/556122798.db2.gz PMJNAOYFVNNPDW-HMMYKYKNSA-N 0 0 493.654 4.395 50 0 JIAARN COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)C1=O ZINC000012879672 556123451 /nfs/dbraw/zinc/12/34/51/556123451.db2.gz IBRWYAGHXJAGPC-WHLCRQNOSA-N 0 0 471.557 4.093 50 0 JIAARN CC(C)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000024148044 556124480 /nfs/dbraw/zinc/12/44/80/556124480.db2.gz ISTPKARCWMAEHT-DEOSSOPVSA-N 0 0 464.537 4.323 50 0 JIAARN CCC[C@H](C)NC(=O)COC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000024155406 556124798 /nfs/dbraw/zinc/12/47/98/556124798.db2.gz MROZLEAWPZWQTH-QFMFQJCFSA-N 0 0 482.577 4.036 50 0 JIAARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)C1=O ZINC000016212686 556129301 /nfs/dbraw/zinc/12/93/01/556129301.db2.gz VDVPLVSIBOYPEH-BXUJETTOSA-N 0 0 488.949 4.345 50 0 JIAARN CCCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000012910827 556129411 /nfs/dbraw/zinc/12/94/11/556129411.db2.gz UOVVORDPJPMTIK-UHFFFAOYSA-N 0 0 496.011 4.100 50 0 JIAARN CS(=O)(=O)N(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000016248270 556131118 /nfs/dbraw/zinc/13/11/18/556131118.db2.gz HSUXDTKSLVGUAT-UHFFFAOYSA-N 0 0 498.048 4.040 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Cn1ccc(C(F)(F)F)n1)CC2 ZINC000024445453 556131152 /nfs/dbraw/zinc/13/11/52/556131152.db2.gz IPVUKMIRBSHOKR-FQEVSTJZSA-N 0 0 451.470 4.155 50 0 JIAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012912564 556131955 /nfs/dbraw/zinc/13/19/55/556131955.db2.gz JTUHNCTUPIJXRR-SAPNQHFASA-N 0 0 497.661 4.450 50 0 JIAARN COc1ccc(C)cc1CN(C)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000012914024 556133062 /nfs/dbraw/zinc/13/30/62/556133062.db2.gz PJIKYIYTGZRSCO-UHFFFAOYSA-N 0 0 457.574 4.169 50 0 JIAARN O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)C1CCN(C(=O)C2CC2)CC1 ZINC000012916640 556135885 /nfs/dbraw/zinc/13/58/85/556135885.db2.gz NRPHHHOABKPPHS-UHFFFAOYSA-N 0 0 453.486 4.220 50 0 JIAARN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3ccc4c(c3)CCCC4)cs1)C2=O ZINC000012917026 556136490 /nfs/dbraw/zinc/13/64/90/556136490.db2.gz XVKHUNPDJXUMIB-UHFFFAOYSA-N 0 0 452.580 4.128 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1cc(Br)ccc1Br ZINC000012918599 556137594 /nfs/dbraw/zinc/13/75/94/556137594.db2.gz FEQJTOOKYRNIMW-UHFFFAOYSA-N 0 0 499.228 4.493 50 0 JIAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000024606370 556138823 /nfs/dbraw/zinc/13/88/23/556138823.db2.gz RWGNLRRTRIHHHQ-UHFFFAOYSA-N 0 0 452.907 4.460 50 0 JIAARN COc1ccc(NC(=O)[C@H](C)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1Cl ZINC000012920333 556139043 /nfs/dbraw/zinc/13/90/43/556139043.db2.gz CJLLWMPZCCBWNC-AWEZNQCLSA-N 0 0 456.896 4.302 50 0 JIAARN O=c1c2c(-c3ccccc3)csc2ncn1C[C@@H](O)COc1ccc(Br)cc1 ZINC000012921519 556140187 /nfs/dbraw/zinc/14/01/87/556140187.db2.gz OWWMUAXGGFRYJY-MRXNPFEDSA-N 0 0 457.349 4.327 50 0 JIAARN O=C(NCCSCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000024612767 556141777 /nfs/dbraw/zinc/14/17/77/556141777.db2.gz ZRKWENWIDRIJBY-UHFFFAOYSA-N 0 0 485.046 4.071 50 0 JIAARN Cc1ccc(CSCCNC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1 ZINC000024613440 556142048 /nfs/dbraw/zinc/14/20/48/556142048.db2.gz KKOYCRBQISOANU-UHFFFAOYSA-N 0 0 499.073 4.379 50 0 JIAARN COc1ccc(-c2csc(NC(=O)CN3C(=S)N=NC3c3cccc(C)c3)n2)cc1OC ZINC000012924834 556143134 /nfs/dbraw/zinc/14/31/34/556143134.db2.gz AFWNCCBKWZYFDT-UHFFFAOYSA-N 0 0 467.576 4.322 50 0 JIAARN Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(c2ccc(C)cc2)C1=O ZINC000016571008 556143426 /nfs/dbraw/zinc/14/34/26/556143426.db2.gz ZATRBBNNKJNEHJ-UHFFFAOYSA-O 0 0 485.951 4.386 50 0 JIAARN CCCc1[n-]n(-c2ccccc2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(Cc2ccc(F)cc2)C1=O ZINC000016571050 556143783 /nfs/dbraw/zinc/14/37/83/556143783.db2.gz MFIRBOPFYUJNTM-UHFFFAOYSA-O 0 0 497.550 4.203 50 0 JIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)C[C@@H]2COc3ccccc3O2)c(OC)c1 ZINC000024654937 556144375 /nfs/dbraw/zinc/14/43/75/556144375.db2.gz AXNFHCZWNXLVBN-OAQYLSRUSA-N 0 0 485.540 4.469 50 0 JIAARN O=c1c2c(-c3ccc(F)cc3)csc2ncn1C[C@@H](O)COc1ccc(Br)cc1 ZINC000012927171 556145603 /nfs/dbraw/zinc/14/56/03/556145603.db2.gz IBIFKSWVYFXZOF-MRXNPFEDSA-N 0 0 475.339 4.467 50 0 JIAARN C[C@H](Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012934649 556150315 /nfs/dbraw/zinc/15/03/15/556150315.db2.gz CWQISVPRBJJDHX-AWEZNQCLSA-N 0 0 478.961 4.257 50 0 JIAARN C[C@H](NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1)c1cc2ccccc2o1 ZINC000012942319 556155148 /nfs/dbraw/zinc/15/51/48/556155148.db2.gz QGJNKTDZFQIPOO-AOMKIAJQSA-N 0 0 490.585 4.346 50 0 JIAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)CC2)c1 ZINC000012944557 556156708 /nfs/dbraw/zinc/15/67/08/556156708.db2.gz CIIBUJPFVZSWIA-HSZRJFAPSA-N 0 0 475.010 4.211 50 0 JIAARN COc1cc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)CON2C)ccc1OCc1ccc(F)cc1 ZINC000012949848 556159627 /nfs/dbraw/zinc/15/96/27/556159627.db2.gz DEVXPNPWDHIMKH-BJKOFHAPSA-N 0 0 457.523 4.174 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000024894200 556162450 /nfs/dbraw/zinc/16/24/50/556162450.db2.gz MKAFMQPAXGERKU-UHFFFAOYSA-N 0 0 474.542 4.089 50 0 JIAARN CS(=O)(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)c1 ZINC000024926191 556164142 /nfs/dbraw/zinc/16/41/42/556164142.db2.gz QQHPJEOZHKICKF-UHFFFAOYSA-N 0 0 466.382 4.120 50 0 JIAARN COc1ccc(CCC2CCN(C(=O)c3cc(S(N)(=O)=O)c(Cl)cc3Cl)CC2)cc1 ZINC000024969193 556165700 /nfs/dbraw/zinc/16/57/00/556165700.db2.gz ZRTXJRFEDIRFHB-UHFFFAOYSA-N 0 0 471.406 4.134 50 0 JIAARN COc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3CC(C)C)n2)c(OC)c1 ZINC000016844496 556166433 /nfs/dbraw/zinc/16/64/33/556166433.db2.gz NJAXBVIJIATNJP-UHFFFAOYSA-N 0 0 458.565 4.474 50 0 JIAARN Cc1ccc([C@@](O)(CCNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C(F)(F)F)o1 ZINC000012974897 556166927 /nfs/dbraw/zinc/16/69/27/556166927.db2.gz JRTXYDAHWLVINM-IBGZPJMESA-N 0 0 479.421 4.175 50 0 JIAARN CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000024979254 556167715 /nfs/dbraw/zinc/16/77/15/556167715.db2.gz XRJGIMAPZNTMPA-SFHVURJKSA-N 0 0 472.607 4.039 50 0 JIAARN COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2ccc(-n3nccn3)nc2)CCC(=O)N1c1ccc(C)cc1 ZINC000024979297 556167738 /nfs/dbraw/zinc/16/77/38/556167738.db2.gz IKYZFBFMUCGUPC-BKMJKUGQSA-N 0 0 482.544 4.102 50 0 JIAARN O=C(NC1CCCCCCC1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000016845855 556167833 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COc1cn(CC(=O)Nc2c(C)cc(C)cc2C)c(CSc2nc(C)cc(C)n2)cc1=O ZINC000016994142 556198351 /nfs/dbraw/zinc/19/83/51/556198351.db2.gz CFQZWCPVTIMRDF-UHFFFAOYSA-N 0 0 452.580 4.120 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)c(C)c1 ZINC000016994312 556198664 /nfs/dbraw/zinc/19/86/64/556198664.db2.gz YDAYSVVCFONIKO-UHFFFAOYSA-N 0 0 467.595 4.091 50 0 JIAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1 ZINC000017011437 556200973 /nfs/dbraw/zinc/20/09/73/556200973.db2.gz HSWYIWSJCBAIGV-UHFFFAOYSA-N 0 0 466.581 4.138 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)cc1C ZINC000017011369 556201096 /nfs/dbraw/zinc/20/10/96/556201096.db2.gz WINQRYDPTBGHCZ-UHFFFAOYSA-N 0 0 478.617 4.007 50 0 JIAARN COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)n2)cc1 ZINC000017012202 556201952 /nfs/dbraw/zinc/20/19/52/556201952.db2.gz HNQZZAFDPIPHQG-UHFFFAOYSA-N 0 0 455.921 4.292 50 0 JIAARN Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)n(-c2ncnc3c2cnn3-c2ccccc2)n1 ZINC000017011967 556201967 /nfs/dbraw/zinc/20/19/67/556201967.db2.gz MZYXAIFRAVSXKR-UHFFFAOYSA-N 0 0 453.506 4.349 50 0 JIAARN Cc1cc(NC(=O)c2ccc(Br)cc2)n(-c2ncnc3c2cnn3-c2ccccc2)n1 ZINC000017011956 556202080 /nfs/dbraw/zinc/20/20/80/556202080.db2.gz YYZVWSXCDSGUTE-UHFFFAOYSA-N 0 0 474.322 4.324 50 0 JIAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)nn2)n1 ZINC000013010169 556202389 /nfs/dbraw/zinc/20/23/89/556202389.db2.gz QHHWFDBBPBLMDN-UHFFFAOYSA-N 0 0 454.943 4.477 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000013010236 556202559 /nfs/dbraw/zinc/20/25/59/556202559.db2.gz DVGXALMQJQSXDO-UHFFFAOYSA-N 0 0 450.604 4.011 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N4CCCCC4)n3)cc2)cc1 ZINC000017013779 556203865 /nfs/dbraw/zinc/20/38/65/556203865.db2.gz WYUTZGUYKOTJGH-UHFFFAOYSA-N 0 0 453.568 4.328 50 0 JIAARN Cc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000017013875 556203883 /nfs/dbraw/zinc/20/38/83/556203883.db2.gz RBLRRQZPCQNGRV-UHFFFAOYSA-N 0 0 475.574 4.319 50 0 JIAARN COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc(C)cc3C)s2)cc1OC ZINC000017025777 556205043 /nfs/dbraw/zinc/20/50/43/556205043.db2.gz VUHXNTNQKYYGOU-UHFFFAOYSA-N 0 0 453.564 4.050 50 0 JIAARN Cc1cc(NC(=O)c2ccc(F)cc2F)n(-c2ncnc3c2cnn3-c2ccc(C)cc2C)n1 ZINC000017026122 556205371 /nfs/dbraw/zinc/20/53/71/556205371.db2.gz BLKUJMOBPPYHKO-UHFFFAOYSA-N 0 0 459.460 4.457 50 0 JIAARN CCOC(=O)c1c(NC(=S)NC(=O)C(C)(C)C)sc2c1CCN(Cc1ccccc1)C2 ZINC000025228227 556205791 /nfs/dbraw/zinc/20/57/91/556205791.db2.gz RTHQXGYNVJLDAQ-UHFFFAOYSA-N 0 0 459.637 4.342 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)c4cc(C)ccc4C)ccc32)cc1 ZINC000017026580 556206446 /nfs/dbraw/zinc/20/64/46/556206446.db2.gz QGBGNTPPBYOCLM-UHFFFAOYSA-N 0 0 486.615 4.254 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000013016787 556208911 /nfs/dbraw/zinc/20/89/11/556208911.db2.gz OGNHUUOQEGHAPU-QHCPKHFHSA-N 0 0 490.050 4.238 50 0 JIAARN O=C(Nc1nc2ccccc2s1)[C@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F 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O=C(CSc1nncn1-c1cccc(Cl)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000025613458 556227728 /nfs/dbraw/zinc/22/77/28/556227728.db2.gz YBGFTPHXZXZSTF-UHFFFAOYSA-N 0 0 450.955 4.205 50 0 JIAARN Cc1sc2nc(SCc3nn4c(nc(C)cc4=O)s3)n(C3CCCC3)c(=O)c2c1C ZINC000025714250 556231160 /nfs/dbraw/zinc/23/11/60/556231160.db2.gz PPBQODYCAXVJJY-UHFFFAOYSA-N 0 0 459.622 4.255 50 0 JIAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000025776402 556233134 /nfs/dbraw/zinc/23/31/34/556233134.db2.gz YRECEADOUHYTHJ-UHFFFAOYSA-N 0 0 458.465 4.120 50 0 JIAARN COc1ccc(C)cc1[C@H]1c2c(C)nn(-c3ccccc3)c2NC(=O)[C@H]1NC(=O)c1ccccc1 ZINC000013038474 556236288 /nfs/dbraw/zinc/23/62/88/556236288.db2.gz MHYCFSCCMGFHLF-DQEYMECFSA-N 0 0 466.541 4.380 50 0 JIAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000017190403 556236556 /nfs/dbraw/zinc/23/65/56/556236556.db2.gz WXIVUUBZYZRHPD-QHCPKHFHSA-N 0 0 463.965 4.362 50 0 JIAARN CC1=C2C(=NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)N(c2ccc(C)cc2)N1 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Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)cc1C ZINC000026404208 556253141 /nfs/dbraw/zinc/25/31/41/556253141.db2.gz RXBRBPYBGAYLAY-OAQYLSRUSA-N 0 0 466.998 4.269 50 0 JIAARN COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1C ZINC000026418239 556253436 /nfs/dbraw/zinc/25/34/36/556253436.db2.gz KMQUVBAOEKKBQV-OVUQOOGMSA-N 0 0 484.637 4.246 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)cc1 ZINC000017306577 556254008 /nfs/dbraw/zinc/25/40/08/556254008.db2.gz VBZUUTZXDAWPOE-UHFFFAOYSA-N 0 0 476.554 4.431 50 0 JIAARN CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)ccc1OC(=O)c1ccccc1 ZINC000017307189 556254702 /nfs/dbraw/zinc/25/47/02/556254702.db2.gz YBORPUNFQPQHJG-XMMPIXPASA-N 0 0 496.527 4.219 50 0 JIAARN COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000026556548 556256837 /nfs/dbraw/zinc/25/68/37/556256837.db2.gz OMVNPHFONDMTGF-UNVFRBQDSA-N 0 0 493.629 4.276 50 0 JIAARN CCOc1ccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccccc2)cc1OCC ZINC000017315496 556257408 /nfs/dbraw/zinc/25/74/08/556257408.db2.gz QSIDCHGDFYGDCJ-UHFFFAOYSA-N 0 0 483.532 4.359 50 0 JIAARN CCOc1ccc(C(=O)NCCc2csc3nc(-c4ccc(OC)cc4)nn23)cc1OCC ZINC000017315471 556257499 /nfs/dbraw/zinc/25/74/99/556257499.db2.gz CNJSIZWRNQMTRL-UHFFFAOYSA-N 0 0 466.563 4.236 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000013062808 556258006 /nfs/dbraw/zinc/25/80/06/556258006.db2.gz BFAUITIFIDLQCK-UHFFFAOYSA-N 0 0 471.529 4.036 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)ccc1C ZINC000026639413 556258358 /nfs/dbraw/zinc/25/83/58/556258358.db2.gz MHQOODJUVZFIEH-GOSISDBHSA-N 0 0 482.027 4.121 50 0 JIAARN O=C(Cc1csc(NC(=O)c2ccco2)n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000017356565 556259346 /nfs/dbraw/zinc/25/93/46/556259346.db2.gz HRPCZROWMJWPKD-UHFFFAOYSA-N 0 0 486.597 4.465 50 0 JIAARN C[C@@H]1CCCC[C@H]1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000013063279 556259625 /nfs/dbraw/zinc/25/96/25/556259625.db2.gz UARQTHNNIVDRFV-AUUYWEPGSA-N 0 0 459.395 4.472 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000017365659 556260052 /nfs/dbraw/zinc/26/00/52/556260052.db2.gz IABPFKOHPWFCHP-UHFFFAOYSA-N 0 0 479.649 4.482 50 0 JIAARN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cc1OC ZINC000026771613 556261234 /nfs/dbraw/zinc/26/12/34/556261234.db2.gz HAOKTXOIGZTZHY-MKHHBOLGSA-N 0 0 465.546 4.341 50 0 biogenic JIAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000026773591 556261520 /nfs/dbraw/zinc/26/15/20/556261520.db2.gz HWNCZKYXFFWGKP-UHFFFAOYSA-N 0 0 479.558 4.020 50 0 JIAARN O=C(CSc1nc2ccccc2c(NC2CC2)n1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000017736297 556265490 /nfs/dbraw/zinc/26/54/90/556265490.db2.gz MBMRZDDZXJYTRJ-UHFFFAOYSA-N 0 0 451.943 4.169 50 0 JIAARN COc1cc(CNC(=O)CSc2nc3ccccc3c(NC3CC3)n2)ccc1OC(F)F ZINC000017736419 556265507 /nfs/dbraw/zinc/26/55/07/556265507.db2.gz TUGUAJCVYJTRQI-UHFFFAOYSA-N 0 0 460.506 4.223 50 0 JIAARN COc1ccc(OC)c(NC=C2c3ccccc3C(=O)N(c3ccc(OC)cc3OC)C2=O)c1 ZINC000017748734 556265857 /nfs/dbraw/zinc/26/58/57/556265857.db2.gz VYPPSESGFJMLDB-HKWRFOASSA-N 0 0 460.486 4.361 50 0 JIAARN CCOc1ncccc1C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000026903919 556265912 /nfs/dbraw/zinc/26/59/12/556265912.db2.gz CXAGWEWGBBTIES-UHFFFAOYSA-N 0 0 491.363 4.287 50 0 JIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013069795 556266798 /nfs/dbraw/zinc/26/67/98/556266798.db2.gz ZOSNJJJCGXUPSP-INIZCTEOSA-N 0 0 490.585 4.287 50 0 JIAARN CCOC(=O)c1oc2ccccc2c1CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000013070396 556267807 /nfs/dbraw/zinc/26/78/07/556267807.db2.gz YOGRKDRKDDIJOH-UHFFFAOYSA-N 0 0 496.507 4.135 50 0 JIAARN CCCCN(C(=O)c1ccccc1OCc1ccc(F)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000013070727 556268398 /nfs/dbraw/zinc/26/83/98/556268398.db2.gz YBKUXLWZQQGBMT-UHFFFAOYSA-N 0 0 482.556 4.084 50 0 JIAARN COc1ccccc1CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl ZINC000017845806 556268867 /nfs/dbraw/zinc/26/88/67/556268867.db2.gz BDRBAJULORWOTO-UHFFFAOYSA-N 0 0 462.930 4.261 50 0 JIAARN CCN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)CC(=O)Nc1cc(Cl)ccc1C ZINC000013071132 556268981 /nfs/dbraw/zinc/26/89/81/556268981.db2.gz WXTDGEDHLFDCBV-UHFFFAOYSA-N 0 0 453.974 4.350 50 0 JIAARN CCCOc1ccc(CN(CCC)C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1OCC ZINC000013071107 556269029 /nfs/dbraw/zinc/26/90/29/556269029.db2.gz VDUZLLZCURSZAE-NHCUHLMSSA-N 0 0 458.599 4.178 50 0 JIAARN CCn1c(S[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nnc1N1CCOCC1 ZINC000017877413 556269437 /nfs/dbraw/zinc/26/94/37/556269437.db2.gz MOXJOZHTGLKQCQ-FQEVSTJZSA-N 0 0 488.013 4.269 50 0 JIAARN O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccco1)Nc1ccc(Br)cc1 ZINC000027019200 556269955 /nfs/dbraw/zinc/26/99/55/556269955.db2.gz HJQOIPASSZFFCR-QGZVFWFLSA-N 0 0 454.280 4.038 50 0 JIAARN O=C(CSc1nc2ccccc2s1)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000013072047 556270750 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ZKYOQJGPJWPBTK-MRXNPFEDSA-N 0 0 455.443 4.101 50 0 JIAARN COc1ccccc1OC[C@@H](O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000031903528 556410176 /nfs/dbraw/zinc/41/01/76/556410176.db2.gz PHLMXXSNXBTLNF-RTWAWAEBSA-N 0 0 471.557 4.314 50 0 JIAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3cccnc3)CC2)c1C ZINC000031941877 556411726 /nfs/dbraw/zinc/41/17/26/556411726.db2.gz NPCOYRQYNRSODX-QHCPKHFHSA-N 0 0 455.624 4.080 50 0 JIAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@]43C(=O)Nc4ccc(Cl)cc43)sc2c1 ZINC000032094253 556415348 /nfs/dbraw/zinc/41/53/48/556415348.db2.gz JBNGYPMTLQWJDH-OAQYLSRUSA-N 0 0 451.895 4.374 50 0 JIAARN COC(=O)c1c(C)[nH]c(-c2cc(OC)c(OC)c(OC)c2)c1[C@@H]1C(=O)Nc2ccc(C)cc21 ZINC000032124083 556426601 /nfs/dbraw/zinc/42/66/01/556426601.db2.gz NQUKMKOPRLEDFL-HXUWFJFHSA-N 0 0 450.491 4.195 50 0 biogenic JIAARN O=C(c1ccc(Br)o1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000032280748 556434359 /nfs/dbraw/zinc/43/43/59/556434359.db2.gz ZMTVKWHUBAOQGR-UHFFFAOYSA-N 0 0 453.336 4.159 50 0 JIAARN C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)s3)ccc2Cl)C[C@H](C)O1 ZINC000032502468 556437376 /nfs/dbraw/zinc/43/73/76/556437376.db2.gz GAYMBKBWPKQCTP-STQMWFEESA-N 0 0 477.435 4.125 50 0 JIAARN Cc1occc1-c1nnc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1C ZINC000032560069 556444989 /nfs/dbraw/zinc/44/49/89/556444989.db2.gz FEEBMXYVDNGAPF-SFHVURJKSA-N 0 0 454.552 4.001 50 0 JIAARN CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(C)cc1F ZINC000032579586 556446821 /nfs/dbraw/zinc/44/68/21/556446821.db2.gz WULBZXFKSNRMCW-UHFFFAOYSA-N 0 0 455.559 4.274 50 0 JIAARN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000032593953 556448234 /nfs/dbraw/zinc/44/82/34/556448234.db2.gz MORCRDPDUZIXBJ-FQEVSTJZSA-N 0 0 453.926 4.333 50 0 JIAARN O=C(Nc1nc(-c2ccc(I)o2)ns1)c1ccc(Br)cc1 ZINC000032594194 556448516 /nfs/dbraw/zinc/44/85/16/556448516.db2.gz UFDKPTOPIRLUAC-UHFFFAOYSA-N 0 0 476.093 4.418 50 0 JIAARN CCc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000032622092 556451729 /nfs/dbraw/zinc/45/17/29/556451729.db2.gz ANSJTDSISZYRHK-RUZDIDTESA-N 0 0 460.574 4.240 50 0 JIAARN CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000032622111 556451824 /nfs/dbraw/zinc/45/18/24/556451824.db2.gz FVEZBEJEWLTTSJ-VWLOTQADSA-N 0 0 476.573 4.239 50 0 JIAARN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(OC)c(OC)c3)N3CCCCC3)no2)cc1 ZINC000032623091 556452983 /nfs/dbraw/zinc/45/29/83/556452983.db2.gz WMTMTMBHWGBEPX-QFIPXVFZSA-N 0 0 465.550 4.324 50 0 JIAARN CC(=O)c1cc(Cl)ccc1OC(=O)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl ZINC000032623784 556453659 /nfs/dbraw/zinc/45/36/59/556453659.db2.gz UYKDGZJARDHIQR-UHFFFAOYSA-N 0 0 465.314 4.179 50 0 JIAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(I)cc1)C2=O ZINC000032636515 556457347 /nfs/dbraw/zinc/45/73/47/556457347.db2.gz WKBSDGKPYNUBEV-UHFFFAOYSA-N 0 0 497.377 4.147 50 0 JIAARN COc1cc(NC(=O)C2CCCC2)c(C(=O)OCc2nc(-c3cccs3)no2)cc1OC ZINC000032671780 556468196 /nfs/dbraw/zinc/46/81/96/556468196.db2.gz VNDCOYYUUIQZBZ-UHFFFAOYSA-N 0 0 457.508 4.301 50 0 JIAARN COCCn1c(SCc2cc(=O)n3c4ccccc4sc3n2)nc2sc3c(c2c1=O)CCC3 ZINC000032691752 556471222 /nfs/dbraw/zinc/47/12/22/556471222.db2.gz OXQSTGNBKBCWGP-UHFFFAOYSA-N 0 0 496.639 4.108 50 0 JIAARN CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)C2=O)cc1 ZINC000032727434 556476810 /nfs/dbraw/zinc/47/68/10/556476810.db2.gz JBOWHEMXQUBTKQ-SKCUWOTOSA-N 0 0 491.588 4.102 50 0 JIAARN CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)C2=O)cc1 ZINC000032727442 556476896 /nfs/dbraw/zinc/47/68/96/556476896.db2.gz JBOWHEMXQUBTKQ-RBISFHTESA-N 0 0 491.588 4.102 50 0 JIAARN CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1 ZINC000032740852 556480521 /nfs/dbraw/zinc/48/05/21/556480521.db2.gz JSVUYSJHDUWNSN-RTBURBONSA-N 0 0 486.638 4.098 50 0 JIAARN O=C([C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccccc1)N1CCCCC1 ZINC000032741954 556481850 /nfs/dbraw/zinc/48/18/50/556481850.db2.gz RCYFFDDWIFQFJO-GOSISDBHSA-N 0 0 463.485 4.407 50 0 JIAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000032745209 556482835 /nfs/dbraw/zinc/48/28/35/556482835.db2.gz QVTDJQABSNCJQX-UHFFFAOYSA-N 0 0 471.608 4.240 50 0 JIAARN COc1ccc([C@H](CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)N2CCOCC2)cc1 ZINC000032747910 556484845 /nfs/dbraw/zinc/48/48/45/556484845.db2.gz IMVXSRVGZDSEGS-VWLOTQADSA-N 0 0 457.530 4.307 50 0 JIAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3c(C)noc3C)ccc21 ZINC000032768087 556488812 /nfs/dbraw/zinc/48/88/12/556488812.db2.gz JJINMYSJAZNRHK-QFIPXVFZSA-N 0 0 466.563 4.211 50 0 JIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000032768522 556489474 /nfs/dbraw/zinc/48/94/74/556489474.db2.gz VVILTHBSIHRDEZ-QHCPKHFHSA-N 0 0 467.591 4.072 50 0 JIAARN COc1ccc(-c2noc(CNc3cccc(S(=O)(=O)N4CCc5sccc5C4)c3)n2)cc1 ZINC000032803984 556497775 /nfs/dbraw/zinc/49/77/75/556497775.db2.gz OUAGHZJJCDBRCL-UHFFFAOYSA-N 0 0 482.587 4.166 50 0 JIAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)OCc2nc(N)nc(Nc3ccc(F)cc3)n2)cc1 ZINC000032830428 556506042 /nfs/dbraw/zinc/50/60/42/556506042.db2.gz YFAGDPOFQYGDGE-UHFFFAOYSA-N 0 0 498.522 4.103 50 0 JIAARN CCOC(=O)c1sc(N(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c2ccccc2)nc1C ZINC000032832603 556506560 /nfs/dbraw/zinc/50/65/60/556506560.db2.gz VVYLCVXCRUWBBK-INIZCTEOSA-N 0 0 467.522 4.485 50 0 JIAARN CC[C@H](c1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n1Cc1ccccc1)N(C)C ZINC000032842512 556508608 /nfs/dbraw/zinc/50/86/08/556508608.db2.gz RCVVRRGXAGHYGP-GHTZIAJQSA-N 0 0 492.649 4.195 50 0 JIAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000032854652 556511784 /nfs/dbraw/zinc/51/17/84/556511784.db2.gz YZKRPKMWWHGKCE-UHFFFAOYSA-N 0 0 457.530 4.047 50 0 JIAARN COc1cc(OC)c(C2=CCN(C(=O)[C@@H](C)NC(=O)Cc3cccc4ccccc43)CC2)c(OC)c1 ZINC000032859735 556514292 /nfs/dbraw/zinc/51/42/92/556514292.db2.gz HWFCZSSZZIXMOO-LJQANCHMSA-N 0 0 488.584 4.229 50 0 JIAARN CNS(=O)(=O)c1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc(C)c1C ZINC000032868991 556516992 /nfs/dbraw/zinc/51/69/92/556516992.db2.gz KQYSPWZAJPTCIC-UHFFFAOYSA-N 0 0 455.561 4.011 50 0 JIAARN Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NCc3nnc4ccccn43)c12 ZINC000032870451 556517831 /nfs/dbraw/zinc/51/78/31/556517831.db2.gz UXSMUQWOYUZOTQ-UHFFFAOYSA-N 0 0 452.396 4.190 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3coc4cc(C)c(C(C)C)cc34)CC2)cc1 ZINC000032889495 556523496 /nfs/dbraw/zinc/52/34/96/556523496.db2.gz YGTJBSJKOOSENW-UHFFFAOYSA-N 0 0 484.618 4.385 50 0 JIAARN O=C(CN1C(=O)c2ccccc2C1=O)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000032894985 556525080 /nfs/dbraw/zinc/52/50/80/556525080.db2.gz QSVOMOROFADMSJ-OAQYLSRUSA-N 0 0 478.430 4.084 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)Cc3cnn(-c4ccccc4)c3)cc2)cc1 ZINC000032900074 556527812 /nfs/dbraw/zinc/52/78/12/556527812.db2.gz RIMSZQNZDCXYOF-UHFFFAOYSA-N 0 0 461.543 4.154 50 0 JIAARN O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000032900411 556528072 /nfs/dbraw/zinc/52/80/72/556528072.db2.gz ZCVMTYDQQZBPNW-UHFFFAOYSA-N 0 0 455.537 4.006 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)o2)cc1 ZINC000032904678 556530522 /nfs/dbraw/zinc/53/05/22/556530522.db2.gz TZNRTTLVIAFWLW-GOSISDBHSA-N 0 0 455.536 4.218 50 0 JIAARN C[C@@]1(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)Cc2ccccc2C(=O)O1 ZINC000032904611 556530543 /nfs/dbraw/zinc/53/05/43/556530543.db2.gz ZENDCRYAQQRILC-NDEPHWFRSA-N 0 0 451.526 4.386 50 0 JIAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(Cc3csc(-c4ccsc4)n3)CC2)c1 ZINC000032906762 556531467 /nfs/dbraw/zinc/53/14/67/556531467.db2.gz PSBOMUKYIXUGBL-UHFFFAOYSA-N 0 0 470.645 4.235 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000032908655 556532435 /nfs/dbraw/zinc/53/24/35/556532435.db2.gz JDIQZQYIMNZJCM-SFHVURJKSA-N 0 0 471.623 4.339 50 0 JIAARN Nn1c(SCc2cc(=O)n3c4ccccc4sc3n2)nnc1-c1ccc(Cl)cc1Cl ZINC000032910410 556534338 /nfs/dbraw/zinc/53/43/38/556534338.db2.gz JAMVZOQCMJCDNR-UHFFFAOYSA-N 0 0 475.386 4.481 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)N3CCc4ccccc43)cc2)cc1 ZINC000032911151 556535820 /nfs/dbraw/zinc/53/58/20/556535820.db2.gz JBXFHJLJVCVHPW-LJQANCHMSA-N 0 0 450.560 4.177 50 0 JIAARN NS(=O)(=O)[C@@H]1CCCN(c2nc(-c3cccs3)nc3scc(-c4ccccc4)c32)C1 ZINC000032911823 556536520 /nfs/dbraw/zinc/53/65/20/556536520.db2.gz KPYPOHZRICNMTK-OAHLLOKOSA-N 0 0 456.618 4.344 50 0 JIAARN Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000032913022 556537332 /nfs/dbraw/zinc/53/73/32/556537332.db2.gz OWGAPNALBQZPCF-UHFFFAOYSA-N 0 0 452.580 4.057 50 0 JIAARN O=C(CN1C(=O)[C@H](c2cccs2)N(Cc2ccccc2)C1=O)Nc1ccnn1C1CCCC1 ZINC000032925488 556542224 /nfs/dbraw/zinc/54/22/24/556542224.db2.gz YRMMJGXCYONARQ-QFIPXVFZSA-N 0 0 463.563 4.204 50 0 JIAARN COC(=O)c1cn(C)c(-c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)c1C(=O)OC ZINC000032925946 556542940 /nfs/dbraw/zinc/54/29/40/556542940.db2.gz VBXJHMHKFBXVBS-UHFFFAOYSA-N 0 0 458.873 4.239 50 0 JIAARN COc1ccc(-c2cc3ncnc(NCC[C@@](O)(c4nccn4C)C(F)(F)F)c3s2)cc1 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COc1ccc(-c2csc(CCNS(=O)(=O)c3ccc(Br)cc3)n2)cc1 ZINC000072264878 569701229 /nfs/dbraw/zinc/70/12/29/569701229.db2.gz ININLEXOSIZCHM-UHFFFAOYSA-N 0 0 453.383 4.102 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2ncnc3nc(N4CCc5ccccc5C4)sc32)cc1 ZINC000035533778 569701236 /nfs/dbraw/zinc/70/12/36/569701236.db2.gz SRZIJRXENJHHIQ-UHFFFAOYSA-N 0 0 491.598 4.166 50 0 JIAARN COc1ccc(NC(=O)CSc2ncnc3nc(N(C)Cc4ccccc4)sc32)cc1 ZINC000035534095 569701338 /nfs/dbraw/zinc/70/13/38/569701338.db2.gz QLVXPEYAHBASCF-UHFFFAOYSA-N 0 0 451.577 4.462 50 0 JIAARN COc1ccc(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1N1CCCC1=O ZINC000072274518 569701503 /nfs/dbraw/zinc/70/15/03/569701503.db2.gz UJIFORZKUKKCEB-JOCHJYFZSA-N 0 0 457.939 4.043 50 0 JIAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(C)cc1Cl ZINC000035535054 569701684 /nfs/dbraw/zinc/70/16/84/569701684.db2.gz CEFYAWWMVUXBTJ-UHFFFAOYSA-N 0 0 461.905 4.237 50 0 JIAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000072280587 569701747 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ZINC000095541008 569726603 /nfs/dbraw/zinc/72/66/03/569726603.db2.gz RSTGXPOREIHDFG-UHFFFAOYSA-N 0 0 476.499 4.293 50 0 JIAARN CC[C@H](C)NC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cccc(Cl)c4)n3)c(=O)n12 ZINC000035911694 569726893 /nfs/dbraw/zinc/72/68/93/569726893.db2.gz JNGCJSVTRFESQF-ZDUSSCGKSA-N 0 0 469.998 4.336 50 0 JIAARN CCc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)NCc4ccccn4)n3c2=O)cc1C ZINC000035911815 569726935 /nfs/dbraw/zinc/72/69/35/569726935.db2.gz AUVAXEOZRLYQPZ-UHFFFAOYSA-N 0 0 498.612 4.042 50 0 JIAARN CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccccc4CC)n3)c(=O)n12 ZINC000035911800 569726942 /nfs/dbraw/zinc/72/69/42/569726942.db2.gz ZYVGNTUBKIJLPN-UHFFFAOYSA-N 0 0 463.607 4.247 50 0 JIAARN COc1cc(OC)cc(-c2noc(CCN(Cc3ccco3)C(=O)c3cccc(F)c3)n2)c1 ZINC000095545151 569726995 /nfs/dbraw/zinc/72/69/95/569726995.db2.gz SGZSKBNUWQLWLW-UHFFFAOYSA-N 0 0 451.454 4.371 50 0 JIAARN O=C(CSc1nccn1-c1ccc(C(=O)NCc2ccco2)cc1)Nc1ccc(F)cc1 ZINC000095546746 569727230 /nfs/dbraw/zinc/72/72/30/569727230.db2.gz NHUBVEDIINNTJZ-UHFFFAOYSA-N 0 0 450.495 4.265 50 0 JIAARN COCc1nnc(SCc2ccc(C(=O)NCc3ccco3)cc2)n1-c1ccc(F)cc1 ZINC000095546794 569727239 /nfs/dbraw/zinc/72/72/39/569727239.db2.gz BXSMZOZOLIEJCJ-UHFFFAOYSA-N 0 0 452.511 4.368 50 0 JIAARN O=c1c2c(ncn2CCOc2ccccc2)n(-c2ccc(Cl)cc2)c(=O)n1Cc1ccc(F)cc1 ZINC000095546044 569727241 /nfs/dbraw/zinc/72/72/41/569727241.db2.gz LXVAVGZNCKKUCT-UHFFFAOYSA-N 0 0 490.922 4.269 50 0 JIAARN COc1ccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C(=O)NC(C)C)CC2)cc1 ZINC000095550795 569727528 /nfs/dbraw/zinc/72/75/28/569727528.db2.gz PWELHIYEJSVQDA-UHFFFAOYSA-N 0 0 459.594 4.291 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(C3CCOCC3)nc(N3CCN(C(=O)c4ccc(C)cc4)CC3)c12 ZINC000035912601 569727635 /nfs/dbraw/zinc/72/76/35/569727635.db2.gz UBWAPKROVNTDES-UHFFFAOYSA-N 0 0 496.615 4.289 50 0 JIAARN CC(C)CN1CCn2c(nc3cc(NC(=O)CN4c5cccnc5Oc5ccccc5C4=O)ccc32)C1 ZINC000095609031 569728010 /nfs/dbraw/zinc/72/80/10/569728010.db2.gz LWRYSLPAMDNMJO-UHFFFAOYSA-N 0 0 496.571 4.294 50 0 JIAARN CCC[C@H](Oc1cccn2c(=O)c(-c3cc(C)n(-c4ccccc4)n3)c(C)nc12)C(=O)OCC ZINC000035924578 569728061 /nfs/dbraw/zinc/72/80/61/569728061.db2.gz VNVZFWAJEHSFRW-QFIPXVFZSA-N 0 0 460.534 4.275 50 0 JIAARN Cn1c2cc(-c3cccc(C(=O)N[C@@H]4CCCC[C@H]4OCc4ccccc4)c3)cnc2[nH]c1=O ZINC000095945776 569730977 /nfs/dbraw/zinc/73/09/77/569730977.db2.gz HRPPVPLCXCFENS-ISKFKSNPSA-N 0 0 456.546 4.186 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000095947502 569731196 /nfs/dbraw/zinc/73/11/96/569731196.db2.gz IVRDZZCTCOTSKW-KDOFPFPSSA-N 0 0 482.624 4.196 50 0 JIAARN O=C(/C(=C\c1ccco1)n1nnnc1-c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000096032388 569732128 /nfs/dbraw/zinc/73/21/28/569732128.db2.gz RXEPVAMSLJXCHI-OQKWZONESA-N 0 0 494.477 4.299 50 0 JIAARN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 ZINC000096113785 569732951 /nfs/dbraw/zinc/73/29/51/569732951.db2.gz FTGXKEQKPFCQBD-MRXNPFEDSA-N 0 0 467.433 4.154 50 0 biogenic JIAARN COC(=O)CN[C@@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000035945864 569733041 /nfs/dbraw/zinc/73/30/41/569733041.db2.gz ULTZXCSHLHRLJW-DEOSSOPVSA-N 0 0 498.963 4.470 50 0 JIAARN COCC(=O)Nc1ccc(N(C)C)c(CN([C@H](C)C(C)C)S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000035946377 569733606 /nfs/dbraw/zinc/73/36/06/569733606.db2.gz AJEHXLWPSKIBAP-QGZVFWFLSA-N 0 0 482.046 4.226 50 0 JIAARN COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cc2c1OCO2 ZINC000096114698 569733725 /nfs/dbraw/zinc/73/37/25/569733725.db2.gz LSUIFTBMFOTOST-YKSBVNFPSA-N 0 0 457.438 4.062 50 0 biogenic JIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1 ZINC000096114760 569733877 /nfs/dbraw/zinc/73/38/77/569733877.db2.gz JUSUUMVQUZUTFY-OFVILXPXSA-N 0 0 489.480 4.056 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)cc1)C(=O)C1CCCC1 ZINC000035946670 569733917 /nfs/dbraw/zinc/73/39/17/569733917.db2.gz HVNBIZVEUSRWCW-QFIPXVFZSA-N 0 0 469.607 4.100 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1)C(=O)c1ccc(OC)cc1 ZINC000035947109 569734210 /nfs/dbraw/zinc/73/42/10/569734210.db2.gz NUPUKZSZTBNQQF-SANMLTNESA-N 0 0 489.547 4.301 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000096115678 569734670 /nfs/dbraw/zinc/73/46/70/569734670.db2.gz ZAPUPSJPVACDCZ-ZJSXRUAMSA-N 0 0 459.454 4.047 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1OC)C(=O)C1CCCC1 ZINC000035947704 569734758 /nfs/dbraw/zinc/73/47/58/569734758.db2.gz BMYXQYLDKPPHBJ-RUZDIDTESA-N 0 0 493.604 4.047 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccc(F)c3)[C@@H](c3ccccc3OC)C2)cc1 ZINC000035947728 569734795 /nfs/dbraw/zinc/73/47/95/569734795.db2.gz MENJRSRBQJCXCN-XMMPIXPASA-N 0 0 475.520 4.293 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccc(OC)cc1 ZINC000035948350 569735203 /nfs/dbraw/zinc/73/52/03/569735203.db2.gz YHUMZICWCDDLDT-HSZRJFAPSA-N 0 0 495.576 4.362 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1OC)C(=O)c1cccc(F)c1 ZINC000035948434 569735368 /nfs/dbraw/zinc/73/53/68/569735368.db2.gz XYLPTIOGVJSLLO-JOCHJYFZSA-N 0 0 495.576 4.362 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1OC)C(=O)C1CCCC1 ZINC000035948436 569735402 /nfs/dbraw/zinc/73/54/02/569735402.db2.gz KQNKTJYMWRIJPE-OAQYLSRUSA-N 0 0 469.607 4.100 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1sccc1C)C(=O)C1CCCC1 ZINC000035948548 569735470 /nfs/dbraw/zinc/73/54/70/569735470.db2.gz RXCPOWAZBHVYFA-LJQANCHMSA-N 0 0 459.637 4.461 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccco3)[C@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000035960369 569736328 /nfs/dbraw/zinc/73/63/28/569736328.db2.gz DVVDOQZSGGFNMZ-QFIPXVFZSA-N 0 0 461.518 4.055 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)NC(C)(C)C)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000035960677 569736681 /nfs/dbraw/zinc/73/66/81/569736681.db2.gz CNQIOROITZGZTJ-NRFANRHFSA-N 0 0 456.974 4.466 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000035961130 569736867 /nfs/dbraw/zinc/73/68/67/569736867.db2.gz NWEZQMVRSLXJGJ-DEOSSOPVSA-N 0 0 475.520 4.293 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cccs1)C(=O)c1ccccc1F ZINC000035961581 569737107 /nfs/dbraw/zinc/73/71/07/569737107.db2.gz JYTWSMKXINXIJJ-JOCHJYFZSA-N 0 0 483.540 4.493 50 0 JIAARN COc1ccc([C@@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)cc1 ZINC000035961985 569737324 /nfs/dbraw/zinc/73/73/24/569737324.db2.gz MVYMPHXKTKIQQH-VWLOTQADSA-N 0 0 475.520 4.293 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)cc1)C(=O)C1CCCC1 ZINC000035961959 569737325 /nfs/dbraw/zinc/73/73/25/569737325.db2.gz ZNBPRFITHLJXNP-SANMLTNESA-N 0 0 493.604 4.047 50 0 JIAARN COc1ccc(OC)c([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)c2ccccc2F)c1 ZINC000035962743 569737688 /nfs/dbraw/zinc/73/76/88/569737688.db2.gz YCCBQPUFPQRNPK-DEOSSOPVSA-N 0 0 493.510 4.432 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@H](c3ccccc3OC)C2)c1 ZINC000035962539 569737745 /nfs/dbraw/zinc/73/77/45/569737745.db2.gz JCKFSEJUPPPNFL-QFIPXVFZSA-N 0 0 451.567 4.276 50 0 JIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O ZINC000096220852 569738352 /nfs/dbraw/zinc/73/83/52/569738352.db2.gz XHJQUBAYFUHNFJ-IBGZPJMESA-N 0 0 464.518 4.199 50 0 biogenic JIAARN COc1ccc2cc([C@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccc(O)cc6)coc5c43)c(=O)n(C)c2c1 ZINC000096222749 569739701 /nfs/dbraw/zinc/73/97/01/569739701.db2.gz ADQCZJFHDTXFLW-HXUWFJFHSA-N 0 0 495.487 4.467 50 0 biogenic JIAARN COCCN(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C(=O)COC ZINC000035975346 569740014 /nfs/dbraw/zinc/74/00/14/569740014.db2.gz SPEYWSASJMIYCZ-UHFFFAOYSA-N 0 0 473.957 4.256 50 0 JIAARN COc1ccc(C(=O)CSc2nnc(Cn3nnc4ccccc43)n2-c2ccccc2)cc1 ZINC000096602028 569742458 /nfs/dbraw/zinc/74/24/58/569742458.db2.gz HWCFUNMKQUWBCS-UHFFFAOYSA-N 0 0 456.531 4.044 50 0 JIAARN COc1ccccc1C1=N/C(=C/c2ccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)c(OC)c2)C(=O)O1 ZINC000096635160 569742755 /nfs/dbraw/zinc/74/27/55/569742755.db2.gz LPHBZMJZACCYQZ-DTKRNKINSA-N 0 0 478.545 4.217 50 0 JIAARN Cc1nn(-c2ccc(F)cc2)c2nc(C3CC3)nc(N3CCN(C(=O)c4ccccc4F)CC3)c12 ZINC000035990374 569744191 /nfs/dbraw/zinc/74/41/91/569744191.db2.gz SICPBFZIVYISHB-UHFFFAOYSA-N 0 0 474.515 4.242 50 0 JIAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(C(=O)N3CCCC3)c2)cc1 ZINC000035991987 569744737 /nfs/dbraw/zinc/74/47/37/569744737.db2.gz QAZHOOUJEOCPSC-UHFFFAOYSA-N 0 0 486.572 4.039 50 0 JIAARN COc1ccc(NC(=O)/C(=C/c2ccc(OC)c(OC)c2)NC(=O)c2ccc(OC)cc2)cc1 ZINC000097340759 569744988 /nfs/dbraw/zinc/74/49/88/569744988.db2.gz QOXLVRHSAXODFO-JCMHNJIXSA-N 0 0 462.502 4.131 50 0 JIAARN COC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccc(F)cc2)C(=O)c2cccc(OC)c2)c1C ZINC000036000868 569745770 /nfs/dbraw/zinc/74/57/70/569745770.db2.gz HXLYHDNDSLFQBF-UHFFFAOYSA-N 0 0 452.482 4.091 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCN(C(=O)c2ccco2)CC1 ZINC000036001054 569745795 /nfs/dbraw/zinc/74/57/95/569745795.db2.gz PHQGMQHSPLEICU-UHFFFAOYSA-N 0 0 492.551 4.115 50 0 JIAARN COc1ccccc1NC(=O)N1CCN(Cc2nc3cccnc3n2-c2cc(C)cc(C)c2)CC1 ZINC000097937919 569745963 /nfs/dbraw/zinc/74/59/63/569745963.db2.gz HHGNKYUGYASMND-UHFFFAOYSA-N 0 0 470.577 4.396 50 0 JIAARN COc1cccc(NC(=O)N2CCN(Cc3nc4cccnc4n3-c3cc(C)cc(C)c3)CC2)c1 ZINC000097937920 569745984 /nfs/dbraw/zinc/74/59/84/569745984.db2.gz RLSARRAXAMCVML-UHFFFAOYSA-N 0 0 470.577 4.396 50 0 JIAARN COc1ccc(-c2cc(C(=O)N(CCC(=O)N(C)Cc3ccccc3)C[C@@H]3CCCO3)no2)cc1 ZINC000036001408 569746020 /nfs/dbraw/zinc/74/60/20/569746020.db2.gz LYRYBZNJEGGIRQ-QHCPKHFHSA-N 0 0 477.561 4.020 50 0 JIAARN Cc1nc2c(cnn2-c2cccc(Cl)c2)c(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000036002127 569746179 /nfs/dbraw/zinc/74/61/79/569746179.db2.gz KFUDCLMKJJHDNM-UHFFFAOYSA-N 0 0 464.932 4.269 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CCc2ccccn2)C(=O)c2ccc(C)cc2)c1C ZINC000036004299 569746829 /nfs/dbraw/zinc/74/68/29/569746829.db2.gz SKPYGDAYMDSJFF-FQEVSTJZSA-N 0 0 461.562 4.468 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)C2CCCC2)ccc1N1CCCN(C(=O)CC(C)C)CC1 ZINC000036005802 569747300 /nfs/dbraw/zinc/74/73/00/569747300.db2.gz ZIUMIBMTEDMRKZ-UHFFFAOYSA-N 0 0 470.658 4.382 50 0 JIAARN Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3cccc(C(F)(F)F)c3)c2=O)cc1C ZINC000036008304 569747872 /nfs/dbraw/zinc/74/78/72/569747872.db2.gz NOOZHUTYHGKBFS-UHFFFAOYSA-N 0 0 481.474 4.104 50 0 JIAARN COc1ccc(NC(=O)[C@H](C)n2c3ccccc3c(=O)n(-c3cccc(Cl)c3)c2=O)cc1OC ZINC000036008670 569747943 /nfs/dbraw/zinc/74/79/43/569747943.db2.gz CIFDKLLMLFMCRE-HNNXBMFYSA-N 0 0 479.920 4.023 50 0 JIAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)c4ccccc4)C(C)C)cc3)CC2)cc1 ZINC000036013194 569748489 /nfs/dbraw/zinc/74/84/89/569748489.db2.gz YBXAHRCKTDYXLZ-UHFFFAOYSA-N 0 0 498.627 4.447 50 0 JIAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)cc1)C(=O)CC(C)C ZINC000036013557 569748611 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CCOC(=O)c1ccc(S(=O)(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1 ZINC000012788934 195130181 /nfs/dbraw/zinc/13/01/81/195130181.db2.gz OHUWSTHDWKYWIM-UHFFFAOYSA-N 0 0 459.545 4.092 50 0 JIAARN O=C(Nc1ccc(OC(F)F)cc1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000012790689 195131635 /nfs/dbraw/zinc/13/16/35/195131635.db2.gz NIWDMHPMHYSMHQ-UHFFFAOYSA-N 0 0 464.515 4.349 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)ccc1Cl ZINC000012789917 195130844 /nfs/dbraw/zinc/13/08/44/195130844.db2.gz AHQSVDKBAVYIQT-UHFFFAOYSA-N 0 0 478.014 4.295 50 0 JIAARN C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000012791469 195132133 /nfs/dbraw/zinc/13/21/33/195132133.db2.gz AXXLOAWZNIJKLR-QKFKETGDSA-N 0 0 465.556 4.309 50 0 JIAARN CN(C(=O)CSc1nnc(NC[C@H]2CCCO2)s1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000012792849 195133498 /nfs/dbraw/zinc/13/34/98/195133498.db2.gz REQAOWQXJZNCJQ-QRQCRPRQSA-N 0 0 495.070 4.372 50 0 JIAARN CCCNC(=O)C1CCN(C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)CC1 ZINC000012793307 195133763 /nfs/dbraw/zinc/13/37/63/195133763.db2.gz VEEDAOZZQRAWKJ-UHFFFAOYSA-N 0 0 459.015 4.486 50 0 JIAARN O=C(N[C@@H](c1cccs1)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012794112 195134180 /nfs/dbraw/zinc/13/41/80/195134180.db2.gz DVVUDIPQKJVCRD-JOCHJYFZSA-N 0 0 458.580 4.194 50 0 JIAARN CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000012795357 195135283 /nfs/dbraw/zinc/13/52/83/195135283.db2.gz DGLGAACSYYMNIG-KHLMNIHMSA-N 0 0 451.611 4.127 50 0 JIAARN Cc1nc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1-c1ccc(F)cc1 ZINC000012795934 195135945 /nfs/dbraw/zinc/13/59/45/195135945.db2.gz FEGBEVLBKCXJSV-UHFFFAOYSA-N 0 0 469.826 4.098 50 0 JIAARN CSCC[C@@H](C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1)N1C(=O)c2ccccc2C1=O ZINC000012797132 195136817 /nfs/dbraw/zinc/13/68/17/195136817.db2.gz COCRXSGPWXTDRB-IBGZPJMESA-N 0 0 487.553 4.369 50 0 JIAARN Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000012798167 195137699 /nfs/dbraw/zinc/13/76/99/195137699.db2.gz NZIPYYPFJIJHOZ-DLBZAZTESA-N 0 0 465.413 4.036 50 0 JIAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012797865 195137507 /nfs/dbraw/zinc/13/75/07/195137507.db2.gz WGYAOFSPCPMTQZ-UHFFFAOYSA-N 0 0 456.930 4.274 50 0 JIAARN Cc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000012798163 195137595 /nfs/dbraw/zinc/13/75/95/195137595.db2.gz NZIPYYPFJIJHOZ-IAGOWNOFSA-N 0 0 465.413 4.036 50 0 JIAARN O=C1c2ccccc2C(=O)N1CCCCSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1 ZINC000012798567 195137883 /nfs/dbraw/zinc/13/78/83/195137883.db2.gz XWLLFSBLKSDROJ-UHFFFAOYSA-N 0 0 499.614 4.171 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccccc1Br ZINC000012802004 195139782 /nfs/dbraw/zinc/13/97/82/195139782.db2.gz FVKVEBSNSRQAAW-UHFFFAOYSA-N 0 0 497.411 4.040 50 0 JIAARN C[C@@H]1CCCC[C@@H]1n1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nnc1-c1cccnc1 ZINC000012805406 195141338 /nfs/dbraw/zinc/14/13/38/195141338.db2.gz AELFIWLEONTYJW-PBHICJAKSA-N 0 0 496.662 4.471 50 0 JIAARN CCc1c(C)sc2nc(S[C@H](C(=O)NC(N)=O)C(C)C)n(-c3cc(C)ccc3C)c(=O)c21 ZINC000012807367 195142232 /nfs/dbraw/zinc/14/22/32/195142232.db2.gz RTTRBEZCDQUEDS-SFHVURJKSA-N 0 0 472.636 4.246 50 0 JIAARN CC(C)n1c(S[C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)nc2ccccc2c1=O ZINC000012813254 195145655 /nfs/dbraw/zinc/14/56/55/195145655.db2.gz FWJRXNQRQNLHKX-SBNSQYLKSA-N 0 0 468.623 4.253 50 0 JIAARN COc1ccc(-c2noc(CN3C(=O)NC(Cc4ccccc4)(Cc4ccccc4)C3=O)n2)c(OC)c1 ZINC000012816509 195146951 /nfs/dbraw/zinc/14/69/51/195146951.db2.gz UOLILOPVMDEXED-UHFFFAOYSA-N 0 0 498.539 4.030 50 0 JIAARN CC(C)(C)C(=O)NCCCC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC000012820024 195148960 /nfs/dbraw/zinc/14/89/60/195148960.db2.gz ANJGRSDBPIESMG-WJDWOHSUSA-N 0 0 486.421 4.088 50 0 JIAARN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012821005 195149245 /nfs/dbraw/zinc/14/92/45/195149245.db2.gz HTBSKCKABHFTTB-CQSZACIVSA-N 0 0 456.942 4.239 50 0 JIAARN O=C(Nc1nc2ccc3ccccc3c2s1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000012821176 195149274 /nfs/dbraw/zinc/14/92/74/195149274.db2.gz LSUJKIHPUQTADC-QGZVFWFLSA-N 0 0 467.572 4.159 50 0 JIAARN COc1ccc(Br)cc1-c1nc(COC(=O)C[C@@H]2Oc3ccccc3NC2=O)cs1 ZINC000012823747 195150410 /nfs/dbraw/zinc/15/04/10/195150410.db2.gz SPLFQDZEHLHJKN-SFHVURJKSA-N 0 0 489.347 4.414 50 0 JIAARN COc1ccc(-c2csc(NC(=O)CCn3cnc4sc(C)c(C)c4c3=O)n2)cc1F ZINC000012847957 195153224 /nfs/dbraw/zinc/15/32/24/195153224.db2.gz NQAQKUPSGYOZPI-UHFFFAOYSA-N 0 0 458.540 4.375 50 0 JIAARN CCc1nc2sc(C(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCCCC4)c3)c(C)c2c(C)n1 ZINC000012871786 195163769 /nfs/dbraw/zinc/16/37/69/195163769.db2.gz TXAXELSJEIIWDG-UHFFFAOYSA-N 0 0 488.635 4.306 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CN(C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000012875327 195165712 /nfs/dbraw/zinc/16/57/12/195165712.db2.gz KGQOVXVHVBIBNG-UHFFFAOYSA-N 0 0 456.743 4.449 50 0 JIAARN CC(C)[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012880131 195167955 /nfs/dbraw/zinc/16/79/55/195167955.db2.gz ZZQJLJZXUKJYMV-AQGBOPFGSA-N 0 0 484.600 4.422 50 0 biogenic JIAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000012881165 195168426 /nfs/dbraw/zinc/16/84/26/195168426.db2.gz NHUAPCQDDYGCKT-HXUWFJFHSA-N 0 0 450.366 4.438 50 0 JIAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ccc(I)cc1 ZINC000012887137 195171031 /nfs/dbraw/zinc/17/10/31/195171031.db2.gz QAXYTVWHGMZBSN-UHFFFAOYSA-N 0 0 493.351 4.430 50 0 JIAARN CCCCNC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)[C@@H](C)CC ZINC000012887972 195171424 /nfs/dbraw/zinc/17/14/24/195171424.db2.gz PEMBDPCYQVOASM-WRSRFLKKSA-N 0 0 486.616 4.085 50 0 biogenic JIAARN COc1cc(C(=O)NC[C@@H](C(C)C)N2CCOCC2)cc(Br)c1OCc1ccccc1 ZINC000012888986 195171879 /nfs/dbraw/zinc/17/18/79/195171879.db2.gz AVVZIPRYGLTZPO-NRFANRHFSA-N 0 0 491.426 4.123 50 0 JIAARN COc1ccc2[nH]cc(CCNC(=O)COc3cc(C)cc4oc(=O)c5c(c34)CCCC5)c2c1 ZINC000012890756 195172877 /nfs/dbraw/zinc/17/28/77/195172877.db2.gz BNGPPNUJFXPFRJ-UHFFFAOYSA-N 0 0 460.530 4.208 50 0 biogenic JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000012891560 195173291 /nfs/dbraw/zinc/17/32/91/195173291.db2.gz JOZQGTAEIGRSPL-HSZRJFAPSA-N 0 0 465.619 4.040 50 0 JIAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012892346 195173567 /nfs/dbraw/zinc/17/35/67/195173567.db2.gz LIYXYFZJGDMTLV-UHFFFAOYSA-N 0 0 454.880 4.067 50 0 JIAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CSc2nnnn2-c2ccc(C)cc2C)cc1 ZINC000012893307 195174218 /nfs/dbraw/zinc/17/42/18/195174218.db2.gz ZCJSIUOGEPDLHT-UHFFFAOYSA-N 0 0 486.601 4.248 50 0 JIAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000012899017 195176606 /nfs/dbraw/zinc/17/66/06/195176606.db2.gz RBZAFKUKTDXANK-KRWDZBQOSA-N 0 0 488.635 4.414 50 0 JIAARN Cc1ccc2nc3c(c(C(=O)OCC(=O)N(C)Cc4cnn(-c5ccccc5)c4)c2c1)CCCC3 ZINC000012902072 195177883 /nfs/dbraw/zinc/17/78/83/195177883.db2.gz LRHZTLXAKQLKHD-UHFFFAOYSA-N 0 0 468.557 4.423 50 0 JIAARN C[C@@H](Oc1ccccc1F)c1nnc(SCC(=O)NCCOc2ccc(Cl)cc2)o1 ZINC000012901787 195177885 /nfs/dbraw/zinc/17/78/85/195177885.db2.gz DIXCRNCXCBFIBV-CYBMUJFWSA-N 0 0 451.907 4.289 50 0 JIAARN O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cc(F)cc2c1O[C@@H](c1ccsc1)OC2 ZINC000012904012 195178466 /nfs/dbraw/zinc/17/84/66/195178466.db2.gz XAZFRNIPBOKLNT-XUZZJYLKSA-N 0 0 466.490 4.225 50 0 JIAARN O=C(Nc1ccnn1Cc1ccccc1)C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000012905681 195179548 /nfs/dbraw/zinc/17/95/48/195179548.db2.gz WVXDLPMCVLYJFY-UHFFFAOYSA-N 0 0 493.416 4.278 50 0 JIAARN COc1ccc(NC(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1OC(F)F ZINC000012905884 195179592 /nfs/dbraw/zinc/17/95/92/195179592.db2.gz NJPVFQBHALOPRW-LLVKDONJSA-N 0 0 469.535 4.472 50 0 JIAARN Cn1nc(C(=O)Nc2cccc(-c3ccno3)c2)cc1C(=O)Nc1cccc(-c2ccno2)c1 ZINC000020616955 195188662 /nfs/dbraw/zinc/18/86/62/195188662.db2.gz RRNAORPWXSHDHI-UHFFFAOYSA-N 0 0 454.446 4.235 50 0 JIAARN CCc1ccccc1NC(=O)CN1c2ccccc2S(=O)(=O)N(c2ccc(C(C)=O)cc2)C1=O ZINC000020618493 195190001 /nfs/dbraw/zinc/19/00/01/195190001.db2.gz AQFSLERCDXBWLX-UHFFFAOYSA-N 0 0 477.542 4.226 50 0 JIAARN COc1ccc(-n2c(=O)c([C@H]3[NH2+]CCc4c5cc(Cl)ccc5[nH]c43)c([O-])nc2SC)cc1 ZINC000020622719 195190177 /nfs/dbraw/zinc/19/01/77/195190177.db2.gz KOBHMFQQSFIOAB-HXUWFJFHSA-N 0 0 468.966 4.038 50 0 JIAARN Cn1c2ccccc2nc1CN1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000020622165 195190336 /nfs/dbraw/zinc/19/03/36/195190336.db2.gz GFDCIAQLUAAEHX-UHFFFAOYSA-N 0 0 496.036 4.350 50 0 JIAARN COc1cccc(NC(=S)N(CCCN2CCOCC2)Cc2cn(C)c3ccccc23)c1 ZINC000020676529 195201072 /nfs/dbraw/zinc/20/10/72/195201072.db2.gz IOXREBLQQOCZGU-UHFFFAOYSA-N 0 0 452.624 4.108 50 0 JIAARN O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[NH+]1CCN(CCc2ccncc2)CC1 ZINC000020676784 195201498 /nfs/dbraw/zinc/20/14/98/195201498.db2.gz RXRSBMOVDMPJOM-HHHXNRCGSA-N 0 0 470.573 4.128 50 0 JIAARN CCc1nn2c(ncc3c2ccn(-c2cc(OC)ccc2OC)c3=O)c1-c1ccc(OC)cc1 ZINC000020724918 195206987 /nfs/dbraw/zinc/20/69/87/195206987.db2.gz FPKZTKWDVODZRB-UHFFFAOYSA-N 0 0 456.502 4.289 50 0 JIAARN O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728951 195209306 /nfs/dbraw/zinc/20/93/06/195209306.db2.gz MCPIWAQMCYFFMV-LHLOQNFPSA-N 0 0 484.625 4.324 50 0 JIAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3cccnc3)nn1-c1ccccc1Cl)C2 ZINC000020733277 195211501 /nfs/dbraw/zinc/21/15/01/195211501.db2.gz QGWASZKHXANHDB-UHFFFAOYSA-N 0 0 460.921 4.439 50 0 JIAARN O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1F ZINC000020664834 195197885 /nfs/dbraw/zinc/19/78/85/195197885.db2.gz VEXUCDDKYBQGCY-UHFFFAOYSA-N 0 0 487.984 4.238 50 0 JIAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Br)cc2)c1 ZINC000020746115 195215024 /nfs/dbraw/zinc/21/50/24/195215024.db2.gz GHKFQJMVLXTODI-IBGZPJMESA-N 0 0 455.312 4.138 50 0 JIAARN Cc1oc2c(cc3c(C)c(CCC(=O)N4CCN(CCc5ccccn5)CC4)c(=O)oc3c2C)c1C ZINC000020759964 195217393 /nfs/dbraw/zinc/21/73/93/195217393.db2.gz FPUGOMGJDCQEIA-UHFFFAOYSA-N 0 0 487.600 4.487 50 0 biogenic JIAARN COc1cc(OC)c(NC(=O)c2nn(-c3ccccc3OC)c(=O)c3ccccc32)cc1Cl ZINC000020768691 195223400 /nfs/dbraw/zinc/22/34/00/195223400.db2.gz RFZLJXTZKOCORN-UHFFFAOYSA-N 0 0 465.893 4.317 50 0 JIAARN COc1ccc(-n2nc(C(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3c2=O)c(OC)c1 ZINC000020768826 195223541 /nfs/dbraw/zinc/22/35/41/195223541.db2.gz NRSMGOILFKNLPP-UHFFFAOYSA-N 0 0 465.893 4.317 50 0 JIAARN O=C(NCCCOc1ccc(CN2CCN(c3ncccn3)CC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000020774197 195223664 /nfs/dbraw/zinc/22/36/64/195223664.db2.gz NOFAUJXIRLFFQV-UHFFFAOYSA-N 0 0 499.537 4.017 50 0 JIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(OCCOc3ccc(C(C)(C)C)cc3)cc2)S1 ZINC000020895418 195239325 /nfs/dbraw/zinc/23/93/25/195239325.db2.gz HEFJOVOGPKKSLL-JOCHJYFZSA-N 0 0 455.580 4.443 50 0 JIAARN O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020898381 195240412 /nfs/dbraw/zinc/24/04/12/195240412.db2.gz HRRMPLDPFMNZOX-UHFFFAOYSA-N 0 0 464.587 4.446 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4nc(CC(C)C)sc4n3)cc2)cc1OC ZINC000020859295 195232765 /nfs/dbraw/zinc/23/27/65/195232765.db2.gz AIXOAASWORRWME-UHFFFAOYSA-N 0 0 494.573 4.198 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)n2)ccc1C ZINC000020893735 195238231 /nfs/dbraw/zinc/23/82/31/195238231.db2.gz BLDILVAADHXOCJ-UHFFFAOYSA-N 0 0 496.633 4.011 50 0 JIAARN CC[C@@H](C(=O)NCc1cccc(OC)c1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937750 195253711 /nfs/dbraw/zinc/25/37/11/195253711.db2.gz FIGDQAUADVGGLB-QHCPKHFHSA-N 0 0 469.607 4.092 50 0 JIAARN COc1ccccc1NC(=O)Cn1c2cc3c(cc2cc(CNc2ccccc2)c1=O)OCCO3 ZINC000020940119 195254841 /nfs/dbraw/zinc/25/48/41/195254841.db2.gz KKXOBTJYAMFZCT-UHFFFAOYSA-N 0 0 471.513 4.032 50 0 JIAARN O=C(CSc1nc2cc(C(=O)NC3CCCC3)ccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1 ZINC000020945942 195256722 /nfs/dbraw/zinc/25/67/22/195256722.db2.gz CKQAZBNDNCWMSD-OAQYLSRUSA-N 0 0 491.613 4.223 50 0 JIAARN Cc1ccc(C(=O)CSc2nc3cc(C(=O)NCC(C)C)ccc3c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000020945947 195256734 /nfs/dbraw/zinc/25/67/34/195256734.db2.gz YNNPCHVKCITKIQ-NRFANRHFSA-N 0 0 493.629 4.245 50 0 JIAARN Cc1nn(-c2ccc(Br)cc2)cc1-c1noc(C(=O)NCc2ccc(F)cc2)n1 ZINC000020946711 195257040 /nfs/dbraw/zinc/25/70/40/195257040.db2.gz NSRBBKHDESXRCL-UHFFFAOYSA-N 0 0 456.275 4.062 50 0 JIAARN O=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000020949757 195257151 /nfs/dbraw/zinc/25/71/51/195257151.db2.gz XGMNYNJEQFUFBN-UHFFFAOYSA-N 0 0 466.585 4.468 50 0 JIAARN CCn1cc2nc(SCC(=O)NCc3ccccc3Cl)n(Cc3ccc(C)cc3)c(=O)c2n1 ZINC000020981543 195259124 /nfs/dbraw/zinc/25/91/24/195259124.db2.gz MBYMVSKYRIXLHY-UHFFFAOYSA-N 0 0 482.009 4.032 50 0 JIAARN CCN1c2ccccc2-c2nc(SCC(=O)Nc3ccccc3C(F)(F)F)ncc2S1(=O)=O ZINC000020982559 195259332 /nfs/dbraw/zinc/25/93/32/195259332.db2.gz HELSTLXNHHUKMA-UHFFFAOYSA-N 0 0 494.520 4.422 50 0 JIAARN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1cccc(Cl)c1C ZINC000020932145 195251430 /nfs/dbraw/zinc/25/14/30/195251430.db2.gz 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COc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)cc1 ZINC000016992861 523100953 /nfs/dbraw/zinc/10/09/53/523100953.db2.gz ALKWWFHLGRTJPT-LJQANCHMSA-N 0 0 494.548 4.166 50 0 JIAARN CN(C[C@H](O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc(Br)cc1 ZINC000002471790 523102640 /nfs/dbraw/zinc/10/26/40/523102640.db2.gz CCNNELBWDQTYHK-KRWDZBQOSA-N 0 0 473.392 4.239 50 0 JIAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(Cl)cc1)c1cc(OC)ccc1n2C ZINC000033287524 523103341 /nfs/dbraw/zinc/10/33/41/523103341.db2.gz DJGCESMXFSAZKP-UHFFFAOYSA-N 0 0 456.955 4.301 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4ccccc4Cl)nc3n2)cc1 ZINC000033271793 523103765 /nfs/dbraw/zinc/10/37/65/523103765.db2.gz DNTFTYASQYSWEN-UHFFFAOYSA-N 0 0 461.831 4.402 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 ZINC000018209600 523106692 /nfs/dbraw/zinc/10/66/92/523106692.db2.gz TVRJIDHWHOHFHI-OKILXGFUSA-N 0 0 455.502 4.289 50 0 JIAARN COc1ccc(-c2cc3c(=O)[nH]nc(SCc4nc(-c5ccc(Cl)cc5)no4)n3n2)cc1OC ZINC000045971996 523116013 /nfs/dbraw/zinc/11/60/13/523116013.db2.gz UNTJUTKEYKJLHL-UHFFFAOYSA-N 0 0 496.936 4.098 50 0 JIAARN COc1ccc(-c2cc3c(SCC(=O)Nc4ccc(OC)cc4OC)nccn3n2)cc1 ZINC000016954709 523118674 /nfs/dbraw/zinc/11/86/74/523118674.db2.gz YGLQCGQIKMCBGS-UHFFFAOYSA-N 0 0 450.520 4.153 50 0 JIAARN COc1ccc(-c2cc3c4nnc(SCC(=O)Nc5cc(C)cc(C)c5)n4ccn3n2)cc1 ZINC000038486994 523120684 /nfs/dbraw/zinc/12/06/84/523120684.db2.gz ZJUVUAHUMJCILC-UHFFFAOYSA-N 0 0 458.547 4.400 50 0 JIAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(CCc2ccccc2)C3=O)cc1 ZINC000021853063 523121085 /nfs/dbraw/zinc/12/10/85/523121085.db2.gz JILHQLIAOFOVLD-GDLZYMKVSA-N 0 0 486.616 4.465 50 0 JIAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(CCC(C)C)C3=O)cc1OC ZINC000021853398 523121450 /nfs/dbraw/zinc/12/14/50/523121450.db2.gz IBHSBXYKQQKGFC-HHHXNRCGSA-N 0 0 482.625 4.277 50 0 JIAARN COc1ccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2cc(C)ccc2C)c(C)n3C)cc1OC ZINC000064977723 523122373 /nfs/dbraw/zinc/12/23/73/523122373.db2.gz GLJIHQXINFUHFZ-UHFFFAOYSA-N 0 0 474.561 4.214 50 0 JIAARN COC(=O)CCn1c(S[C@H](C)C(=O)Nc2cccc3ccccc32)nc2ccccc2c1=O ZINC000014015992 523129831 /nfs/dbraw/zinc/12/98/31/523129831.db2.gz JHJHVTUWVMDMLK-MRXNPFEDSA-N 0 0 461.543 4.232 50 0 JIAARN COc1ccc(-c2cn(-c3ccc(C)c(C)c3)c(NC(=O)CN(C[C@@H]3CCCO3)C(C)=O)n2)cc1 ZINC000036061087 523142325 /nfs/dbraw/zinc/14/23/25/523142325.db2.gz AASKTSYWIXIVLX-DEOSSOPVSA-N 0 0 476.577 4.131 50 0 JIAARN COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)Nc5ccccc5OC)C4)sc3n2)cc1 ZINC000008591122 523144224 /nfs/dbraw/zinc/14/42/24/523144224.db2.gz FMHMHCGVBQTRQX-KRWDZBQOSA-N 0 0 463.563 4.330 50 0 JIAARN COc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5cccc(OC)c5)CC4)sc3n2)cc1 ZINC000008591011 523144720 /nfs/dbraw/zinc/14/47/20/523144720.db2.gz CHKPYVRCSHHQQN-UHFFFAOYSA-N 0 0 463.563 4.330 50 0 JIAARN CCn1c(CC(=O)Nc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1ccccc1F ZINC000002884564 523170562 /nfs/dbraw/zinc/17/05/62/523170562.db2.gz JRRIKLJQDBPHQI-UHFFFAOYSA-N 0 0 481.475 4.368 50 0 JIAARN CCn1c(CN(C)C(=O)Nc2ccccc2Br)nc2cc(C(=O)N(C)C)ccc21 ZINC000065008266 523186041 /nfs/dbraw/zinc/18/60/41/523186041.db2.gz IHJZXOVBMJKBOS-UHFFFAOYSA-N 0 0 458.360 4.184 50 0 JIAARN CCn1c(CN(C)C(=O)Nc2ccc(Br)cc2F)nc2cc(C(=O)N(C)C)ccc21 ZINC000065008274 523186449 /nfs/dbraw/zinc/18/64/49/523186449.db2.gz HXMUAHAXLFLQDI-UHFFFAOYSA-N 0 0 476.350 4.324 50 0 JIAARN COc1ccc(-c2nc(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)cs2)cc1OC ZINC000018231004 523188736 /nfs/dbraw/zinc/18/87/36/523188736.db2.gz KEKHFBUOQLRQBW-UHFFFAOYSA-N 0 0 488.009 4.318 50 0 JIAARN COc1ccc(-c2nc(C(=O)Nc3nc(CN4C[C@@H](C)O[C@@H](C)C4)cs3)cs2)cc1OC ZINC000025060816 523190406 /nfs/dbraw/zinc/19/04/06/523190406.db2.gz FJYFQRALCLXJIG-OKILXGFUSA-N 0 0 474.608 4.145 50 0 JIAARN CCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000046007456 523191553 /nfs/dbraw/zinc/19/15/53/523191553.db2.gz MLZVYHYDIPXYNT-UHFFFAOYSA-N 0 0 471.561 4.168 50 0 JIAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O ZINC000014094949 523194921 /nfs/dbraw/zinc/19/49/21/523194921.db2.gz AIGOEBXLKFLPDB-AREMUKBSSA-N 0 0 477.948 4.342 50 0 JIAARN COc1ccc(-c2nc(CN3CCN(C(=O)c4cc(-c5ccccc5)on4)CC3)cs2)cc1 ZINC000023024955 523202426 /nfs/dbraw/zinc/20/24/26/523202426.db2.gz IZTRBVBATTVAKB-UHFFFAOYSA-N 0 0 460.559 4.432 50 0 JIAARN COc1ccc(-c2nc(CSCC(=O)NCCc3ccc(OC)c(OC)c3)c(C)o2)cc1 ZINC000008597229 523210759 /nfs/dbraw/zinc/21/07/59/523210759.db2.gz ZHJLHWJWWFOVBV-UHFFFAOYSA-N 0 0 456.564 4.268 50 0 biogenic JIAARN COc1ccc(-c2nc(Cn3nnc(-c4nc(-c5cc(OC)cc(OC)c5)no4)c3C)c(C)o2)cc1 ZINC000033296939 523218186 /nfs/dbraw/zinc/21/81/86/523218186.db2.gz JUGYZNSCMDVAIY-UHFFFAOYSA-N 0 0 488.504 4.341 50 0 JIAARN COc1ccc(-c2nc(Cn3nnc(-c4nc(-c5ccccc5OC)no4)c3C)c(C)o2)cc1 ZINC000033296925 523219912 /nfs/dbraw/zinc/21/99/12/523219912.db2.gz AZGUIFHJXOVPMA-UHFFFAOYSA-N 0 0 458.478 4.332 50 0 JIAARN COc1ccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NC[C@H]3CCCO3)[nH]2)cc1OC ZINC000008594978 523223448 /nfs/dbraw/zinc/22/34/48/523223448.db2.gz MZTRPLOJNNBBDU-LJQANCHMSA-N 0 0 467.591 4.457 50 0 JIAARN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2c3cc(OC)ccc3n(C)c2c1=O ZINC000033287535 523225814 /nfs/dbraw/zinc/22/58/14/523225814.db2.gz INVHDLITBDATRE-UHFFFAOYSA-N 0 0 450.564 4.264 50 0 JIAARN CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cn(C)nc1-c1cccc(OC)c1 ZINC000065099083 523230047 /nfs/dbraw/zinc/23/00/47/523230047.db2.gz XHHGJQDXSCPJLS-UHFFFAOYSA-N 0 0 462.579 4.413 50 0 JIAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2ccc(-n3cncn3)nc2)cc1OC ZINC000024979266 523238904 /nfs/dbraw/zinc/23/89/04/523238904.db2.gz UKVWVABEUPWOEL-UKTHLTGXSA-N 0 0 493.527 4.184 50 0 JIAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)NC(C)C ZINC000036122846 523239319 /nfs/dbraw/zinc/23/93/19/523239319.db2.gz ICVXSTXZUFMQRT-JOCHJYFZSA-N 0 0 473.639 4.018 50 0 JIAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)CC(C)C ZINC000036119530 523240126 /nfs/dbraw/zinc/24/01/26/523240126.db2.gz FHLVWXUIZIWFEA-JOCHJYFZSA-N 0 0 458.624 4.164 50 0 JIAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1F ZINC000016735334 523242213 /nfs/dbraw/zinc/24/22/13/523242213.db2.gz ZRIAYCUDZZCTKO-HAHDFKILSA-N 0 0 495.539 4.366 50 0 JIAARN COCc1nn2c(ncc3c2C[C@H](c2ccc(OC)c(OC)c2)CC3=O)c1-c1ccc(OC)cc1 ZINC000012408083 523245387 /nfs/dbraw/zinc/24/53/87/523245387.db2.gz VEJRQYXOWXLGJO-SFHVURJKSA-N 0 0 473.529 4.481 50 0 JIAARN CCn1c2cc(NC(=O)Cc3ccc(C)cc3)c(S(=O)(=O)c3ccccc3)cc2n(CC)c1=O ZINC000046145933 523256835 /nfs/dbraw/zinc/25/68/35/523256835.db2.gz NPOHWQWUSMLHDT-UHFFFAOYSA-N 0 0 477.586 4.165 50 0 JIAARN COCCCN(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)Cc1ccccc1 ZINC000036114997 523265671 /nfs/dbraw/zinc/26/56/71/523265671.db2.gz LWEHGEGMRRPGGP-UHFFFAOYSA-N 0 0 470.591 4.347 50 0 JIAARN COc1ccc(-c2nnc3ccc(N4CCC(C(=O)N[C@H](C)CCc5ccccc5)CC4)nn32)cc1 ZINC000033260053 523268056 /nfs/dbraw/zinc/26/80/56/523268056.db2.gz VBXHLLDIJVMRBG-HXUWFJFHSA-N 0 0 484.604 4.154 50 0 JIAARN COc1ccc(-c2noc(-c3c(N)n(CC(=O)Nc4c(C)cccc4C)nc3SC)n2)cc1OC ZINC000012415440 523271259 /nfs/dbraw/zinc/27/12/59/523271259.db2.gz JQOQQRCGONJGBZ-UHFFFAOYSA-N 0 0 494.577 4.177 50 0 JIAARN CCn1c2ccccc2c2cc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)ccc21 ZINC000003210404 523276441 /nfs/dbraw/zinc/27/64/41/523276441.db2.gz SDCXUGAGCMBZMS-UHFFFAOYSA-N 0 0 463.559 4.088 50 0 JIAARN COc1ccc(-c2noc(CCC(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)n2)cc1OC ZINC000008710108 523281209 /nfs/dbraw/zinc/28/12/09/523281209.db2.gz NDCQLKKUDGKKIK-SFHVURJKSA-N 0 0 481.578 4.173 50 0 JIAARN COCCCN1C(=O)C[C@@](CC(=O)N2CCC[C@@H](c3ccccc3C)C2)(c2ccccc2Cl)C1=O ZINC000014883155 523284478 /nfs/dbraw/zinc/28/44/78/523284478.db2.gz SDZLBEPKEDPZHL-PIKZIKFNSA-N 0 0 497.035 4.478 50 0 JIAARN COc1ccc(-c2noc(CN3CCN(C(=O)/C=C/c4ccc(Cl)cc4Cl)CC3)n2)cc1 ZINC000022603859 523286123 /nfs/dbraw/zinc/28/61/23/523286123.db2.gz DMYJXARCBJNDER-WEVVVXLNSA-N 0 0 473.360 4.410 50 0 JIAARN COCCCN1C(=O)C[C@](CC(=O)N2CCC[C@H](c3ccccc3C)C2)(c2ccccc2Cl)C1=O ZINC000014883158 523287393 /nfs/dbraw/zinc/28/73/93/523287393.db2.gz SDZLBEPKEDPZHL-RBTNQOKQSA-N 0 0 497.035 4.478 50 0 JIAARN CCn1cc(-c2nc(-c3cccc(Br)c3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000033255990 523298775 /nfs/dbraw/zinc/29/87/75/523298775.db2.gz QDWMCZWZRLRMFX-UHFFFAOYSA-N 0 0 499.340 4.477 50 0 JIAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)c2ccc3c(c2)OCCO3)cc1OC ZINC000016050893 523309796 /nfs/dbraw/zinc/30/97/96/523309796.db2.gz WRDFAOZNCRUFOS-UHFFFAOYSA-N 0 0 490.537 4.149 50 0 JIAARN CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H](N1CCc3c4ccccc4[nH]c3C1)CC2 ZINC000014732639 523343327 /nfs/dbraw/zinc/34/33/27/523343327.db2.gz GGGUJOPASCESSS-FQEVSTJZSA-N 0 0 453.590 4.089 50 0 JIAARN COc1ccc(-n2nc3c(c2C)c(C)nnc3N2CCC(C(=O)NCc3ccccc3C)CC2)cc1 ZINC000008594395 523347629 /nfs/dbraw/zinc/34/76/29/523347629.db2.gz WMKRAHFYBKHHRF-UHFFFAOYSA-N 0 0 484.604 4.282 50 0 JIAARN COc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4cccc(Cl)c4)nc32)cc1 ZINC000065293908 523347659 /nfs/dbraw/zinc/34/76/59/523347659.db2.gz SUHXGWSUOAVYJH-UHFFFAOYSA-N 0 0 455.971 4.205 50 0 JIAARN CN(Cc1ccccc1)c1nc2ncn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)c2s1 ZINC000067225832 523355280 /nfs/dbraw/zinc/35/52/80/523355280.db2.gz LSZVXCXKNXOIAY-UHFFFAOYSA-N 0 0 473.480 4.147 50 0 JIAARN COc1ccc(/C=C(\NC(=O)c2ccc(OC)cc2)C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000015685663 523383496 /nfs/dbraw/zinc/38/34/96/523383496.db2.gz OURQPBZRAWHPSN-ONUIUJJFSA-N 0 0 469.541 4.315 50 0 JIAARN COc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)/C=C\c3ccc(OC)c(OC)c3)n2)cc1OC ZINC000033335712 523397229 /nfs/dbraw/zinc/39/72/29/523397229.db2.gz MYIWCPDNQVYKCN-YCRUPXPOSA-N 0 0 489.528 4.420 50 0 JIAARN COc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccc(Br)cc2C3(C)C)cc1OC ZINC000002158345 523404423 /nfs/dbraw/zinc/40/44/23/523404423.db2.gz MPJQPPSUCILQQL-NMXNWIABSA-N 0 0 457.368 4.494 50 0 biogenic JIAARN CCn1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c(C(=O)NC2CCCCC2)n1 ZINC000036613106 523433062 /nfs/dbraw/zinc/43/30/62/523433062.db2.gz QTYHRSRLUZRQLN-UHFFFAOYSA-N 0 0 468.505 4.185 50 0 JIAARN CCn1cc2nc(SCC(=O)Nc3ccc(C)cc3C)n(Cc3ccc(OC)cc3)c(=O)c2n1 ZINC000009299875 523489087 /nfs/dbraw/zinc/48/90/87/523489087.db2.gz NSOTUWVCCVEOPL-UHFFFAOYSA-N 0 0 477.590 4.017 50 0 JIAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccc(Cl)cc4)C3)ccc21 ZINC000021646431 523496012 /nfs/dbraw/zinc/49/60/12/523496012.db2.gz CNNBPZOVIWFJCJ-IBGZPJMESA-N 0 0 459.999 4.032 50 0 JIAARN CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)Nc4cccc(SC)c4)CC3)ccc21 ZINC000008609380 523496054 /nfs/dbraw/zinc/49/60/54/523496054.db2.gz RTNUIBZRNLJXJC-UHFFFAOYSA-N 0 0 472.636 4.312 50 0 aggregator JIAARN COc1ccc(Br)cc1CNC(=O)c1cnc2sc3c(n2c1=O)CCCCCC3 ZINC000035430611 523499017 /nfs/dbraw/zinc/49/90/17/523499017.db2.gz IHQLVOIWZFEAEX-UHFFFAOYSA-N 0 0 476.396 4.116 50 0 JIAARN COc1ccc(Br)cc1CNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000045941287 523500772 /nfs/dbraw/zinc/50/07/72/523500772.db2.gz GQZGNMVNZUBQHL-UHFFFAOYSA-N 0 0 465.145 4.336 50 0 JIAARN COc1ccc(C(=O)CN2c3ccccc3S(=O)(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000008608812 523585706 /nfs/dbraw/zinc/58/57/06/523585706.db2.gz IJPAKJDKQHBVHZ-UHFFFAOYSA-N 0 0 450.516 4.330 50 0 aggregator JIAARN CC[C@@H]1Oc2ccc(Cl)cc2N(CC(=O)Nc2ccc3sc(NC(C)=O)nc3c2)C1=O ZINC000033261498 523604375 /nfs/dbraw/zinc/60/43/75/523604375.db2.gz ODIKVCBMQOCVOG-INIZCTEOSA-N 0 0 458.927 4.051 50 0 JIAARN CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(C(=O)c1cccc3ccccc31)C2 ZINC000014743932 523612861 /nfs/dbraw/zinc/61/28/61/523612861.db2.gz UUFQKQDTHCKUKV-UHFFFAOYSA-N 0 0 493.611 4.217 50 0 JIAARN COCCN(C)S(=O)(=O)c1cc2c(cc1Oc1ccccc1OC)Oc1ccccc1NC2=O ZINC000064986633 523631230 /nfs/dbraw/zinc/63/12/30/523631230.db2.gz LEDHPRLHHFTYLM-UHFFFAOYSA-N 0 0 484.530 4.112 50 0 JIAARN COCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000035314992 523644405 /nfs/dbraw/zinc/64/44/05/523644405.db2.gz CIFLJBGBALJZQP-UHFFFAOYSA-N 0 0 468.594 4.442 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)CC(C)C ZINC000036119810 523648610 /nfs/dbraw/zinc/64/86/10/523648610.db2.gz CQWDQICEAHQNKD-JOCHJYFZSA-N 0 0 458.624 4.082 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)c1ccccc1 ZINC000036120321 523649829 /nfs/dbraw/zinc/64/98/29/523649829.db2.gz SZSQZOBJNGEUQP-QFIPXVFZSA-N 0 0 482.577 4.181 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)c1ccc(C)cc1 ZINC000036120324 523650584 /nfs/dbraw/zinc/65/05/84/523650584.db2.gz NOVMFIXJANYRRZ-HSZRJFAPSA-N 0 0 496.604 4.489 50 0 JIAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(F)c1)C(=O)C(C)C ZINC000036051568 523656649 /nfs/dbraw/zinc/65/66/49/523656649.db2.gz JQCCOJNHWFBXFL-UHFFFAOYSA-N 0 0 452.530 4.056 50 0 JIAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(F)c1)C(=O)CC(C)C ZINC000036051572 523657304 /nfs/dbraw/zinc/65/73/04/523657304.db2.gz QZMSEBKYZVSYFH-UHFFFAOYSA-N 0 0 466.557 4.446 50 0 JIAARN COc1ccc(C(=O)N2C[C@@H](c3cccc(OC)c3OC)[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000036054387 523670159 /nfs/dbraw/zinc/67/01/59/523670159.db2.gz RJIIHMRGHWZPAD-BJKOFHAPSA-N 0 0 492.547 4.024 50 0 JIAARN CCn1ncc(CN(C)C(=O)CCn2nc(C(F)(F)F)c(Br)c2C2CC2)c1C ZINC000002779301 523688914 /nfs/dbraw/zinc/68/89/14/523688914.db2.gz LDKUEJAGJHQVMW-UHFFFAOYSA-N 0 0 462.314 4.115 50 0 JIAARN CCn1ncc(-c2ccnc(SCC(=O)Nc3ccn(Cc4c(F)cccc4Cl)n3)n2)c1C ZINC000002809538 523689252 /nfs/dbraw/zinc/68/92/52/523689252.db2.gz GJZKHLNWCBSSON-UHFFFAOYSA-N 0 0 485.976 4.437 50 0 JIAARN CCc1c(C)sc2[nH]c(C(=Cc3ccc(Br)cc3)C(=O)N3CCOCC3)nc(=O)c12 ZINC000033462822 523721547 /nfs/dbraw/zinc/72/15/47/523721547.db2.gz KTDHBHOLYPWPGD-ATVHPVEESA-N 0 0 488.407 4.017 50 0 JIAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000036302435 523738071 /nfs/dbraw/zinc/73/80/71/523738071.db2.gz IWXUMIMMLSNRQK-DEOSSOPVSA-N 0 0 497.636 4.464 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1OC ZINC000016227216 523751759 /nfs/dbraw/zinc/75/17/59/523751759.db2.gz JEUIFHBFKVHMDY-UHFFFAOYSA-N 0 0 469.925 4.165 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(SCc3cc(=O)n4c(ncn4C(C)C)n3)cc2)cc1OC ZINC000021797756 523753550 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VDHPUSHCPAFOEH-HSZRJFAPSA-N 0 0 450.560 4.372 50 0 JIAARN Cc1ccc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCc4ccc5c(c4)OCO5)c(=O)c32)c1 ZINC000008933182 524111669 /nfs/dbraw/zinc/11/16/69/524111669.db2.gz SEVXUPMAUZGPDF-UHFFFAOYSA-N 0 0 494.551 4.061 50 0 JIAARN Cc1ccc(C)c(N(CC(=O)NCCSCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000016285129 524117146 /nfs/dbraw/zinc/11/71/46/524117146.db2.gz GBMLHXOQMSRTSO-UHFFFAOYSA-N 0 0 475.463 4.426 50 0 JIAARN COc1ccc(COc2ccc(=O)n(-c3ccc(C(=O)Nc4ccc(OC)cc4)cc3)n2)cc1 ZINC000035481277 524119786 /nfs/dbraw/zinc/11/97/86/524119786.db2.gz XZEWMFBVZFPNBH-UHFFFAOYSA-N 0 0 457.486 4.081 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)c4ccc(Cl)cc4)nc3)CC2)c1 ZINC000016841426 524126346 /nfs/dbraw/zinc/12/63/46/524126346.db2.gz CMJDOZOYIXJJLH-UHFFFAOYSA-N 0 0 469.994 4.147 50 0 JIAARN COc1cccc([C@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)NCc2ccccc2)c1OC ZINC000036054294 524179520 /nfs/dbraw/zinc/17/95/20/524179520.db2.gz CRWFCGVYKMELFH-DNQXCXABSA-N 0 0 458.558 4.184 50 0 JIAARN Cc1cccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000044974823 524181892 /nfs/dbraw/zinc/18/18/92/524181892.db2.gz MXJGNZFTMTWTDH-UHFFFAOYSA-N 0 0 495.532 4.177 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)c1 ZINC000046124390 524188534 /nfs/dbraw/zinc/18/85/34/524188534.db2.gz LSWUAJHAYGPBBW-MRXNPFEDSA-N 0 0 474.583 4.115 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3F)s2)c1 ZINC000064941520 524189144 /nfs/dbraw/zinc/18/91/44/524189144.db2.gz NUKTWTVOXZQUPQ-KRWDZBQOSA-N 0 0 478.546 4.211 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000064931056 524189203 /nfs/dbraw/zinc/18/92/03/524189203.db2.gz WRNIJDQPJGBKHI-QGZVFWFLSA-N 0 0 460.556 4.072 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000033254023 524194095 /nfs/dbraw/zinc/19/40/95/524194095.db2.gz VTWSOSBELVCBJF-UHFFFAOYSA-N 0 0 471.623 4.257 50 0 JIAARN 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4.123 50 0 JIAARN Cc1ccc(NC(=O)[C@H](C)n2nc(C)c3nn(-c4ccccc4)c(-n4cccc4)c3c2=O)cc1C ZINC000033057944 525216277 /nfs/dbraw/zinc/21/62/77/525216277.db2.gz MPEZGLWKWNMSQL-FQEVSTJZSA-N 0 0 466.545 4.498 50 0 JIAARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)cc1 ZINC000033263579 525220591 /nfs/dbraw/zinc/22/05/91/525220591.db2.gz PFQJOGBQQUDSCT-HNNXBMFYSA-N 0 0 483.981 4.243 50 0 JIAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)cc1 ZINC000033259299 525221178 /nfs/dbraw/zinc/22/11/78/525221178.db2.gz CEOGQNWYUYZHKQ-NRFANRHFSA-N 0 0 453.546 4.003 50 0 JIAARN Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1 ZINC000021797061 525238618 /nfs/dbraw/zinc/23/86/18/525238618.db2.gz ZDFOHILHEBNTBS-UHFFFAOYSA-N 0 0 451.914 4.265 50 0 JIAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cn(C)nc4C)c(Cl)c3N2)cc1 ZINC000012468156 525257349 /nfs/dbraw/zinc/25/73/49/525257349.db2.gz VVRFPZGMAOIQBS-HOTGVXAUSA-N 0 0 482.894 4.177 50 0 JIAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)c4ccc(Br)o4)C3)s2)cc1 ZINC000046122950 525260815 /nfs/dbraw/zinc/26/08/15/525260815.db2.gz VXJOBLALUWVTAX-CYBMUJFWSA-N 0 0 475.368 4.474 50 0 JIAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(S(=O)(=O)c4ccccc4Cl)C3)s2)cc1 ZINC000046124281 525262813 /nfs/dbraw/zinc/26/28/13/525262813.db2.gz BBKJGGGWOCTTLT-HNNXBMFYSA-N 0 0 477.011 4.321 50 0 JIAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3S(=O)(=O)c3cccc4cccnc43)s2)cc1 ZINC000064940924 525263020 /nfs/dbraw/zinc/26/30/20/525263020.db2.gz XAQTVDDUSOBDTF-SFHVURJKSA-N 0 0 479.587 4.173 50 0 JIAARN Cc1ccccc1Nc1nc(N)nc(CSc2n[nH]c(COc3ccc(Cl)cc3)n2)n1 ZINC000016678042 525275225 /nfs/dbraw/zinc/27/52/25/525275225.db2.gz WIKPHIOOBRYQJH-UHFFFAOYSA-N 0 0 454.947 4.149 50 0 JIAARN CS(=O)(=O)c1cccc2sc(N3CCN(C(=O)c4cccc(Oc5ccccc5)c4)CC3)nc21 ZINC000012494548 525275781 /nfs/dbraw/zinc/27/57/81/525275781.db2.gz FTNHRINEWUGHBD-UHFFFAOYSA-N 0 0 493.610 4.455 50 0 JIAARN Cc1ccccc1S(=O)(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000046124530 525328807 /nfs/dbraw/zinc/32/88/07/525328807.db2.gz SMJIOOFOBFMAGS-OAHLLOKOSA-N 0 0 477.011 4.321 50 0 JIAARN COc1ccc([C@H](CNC(=O)CSc2cc(C)c(Br)cc2C)N2CCOCC2)cc1 ZINC000033026100 525356771 /nfs/dbraw/zinc/35/67/71/525356771.db2.gz ALEPNUAHQUNICF-NRFANRHFSA-N 0 0 493.467 4.356 50 0 JIAARN C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n([C@H](C)c2ccccc2)c1=O)c1ccccc1 ZINC000036085829 525381588 /nfs/dbraw/zinc/38/15/88/525381588.db2.gz DOKSEKQWZNBIDX-QZTJIDSGSA-N 0 0 474.948 4.148 50 0 JIAARN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000016447912 525404141 /nfs/dbraw/zinc/40/41/41/525404141.db2.gz XNPLJKXBINMSTC-UHFFFAOYSA-N 0 0 484.662 4.466 50 0 JIAARN Cc1[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c(C)c1C(=O)OC(C)C ZINC000035484114 525411381 /nfs/dbraw/zinc/41/13/81/525411381.db2.gz LIFPKTFIVKRRRK-UHFFFAOYSA-N 0 0 474.001 4.409 50 0 JIAARN Cc1cc(S(=O)(=O)[C@H](CNC(=O)c2ccc(Br)cc2)c2cccnc2)ccc1F ZINC000019819033 525426470 /nfs/dbraw/zinc/42/64/70/525426470.db2.gz VHVJGTNLRVLWAY-HXUWFJFHSA-N 0 0 477.355 4.237 50 0 JIAARN Cc1cc(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2ccc(S(=O)(=O)N(C)C)cc12 ZINC000033087796 525433208 /nfs/dbraw/zinc/43/32/08/525433208.db2.gz OWXBZYURNNAWHM-UHFFFAOYSA-N 0 0 467.975 4.317 50 0 JIAARN Cc1cc(SCC(=O)Nc2c(Cl)cc(S(N)(=O)=O)cc2Cl)nc2ccccc12 ZINC000006191181 525433845 /nfs/dbraw/zinc/43/38/45/525433845.db2.gz JSERVJCHFYEFIR-UHFFFAOYSA-N 0 0 456.376 4.228 50 0 JIAARN Cc1ccc(Oc2cc3c(cc2S(=O)(=O)N2CCOCC2)C(=O)Nc2ccccc2O3)cc1 ZINC000064986847 525474135 /nfs/dbraw/zinc/47/41/35/525474135.db2.gz ZXWNHAULGHKZDN-UHFFFAOYSA-N 0 0 466.515 4.166 50 0 JIAARN C[C@H](NCc1nc2c(Br)cc(Br)cc2c(=O)[nH]1)c1ccc2c(c1)OCCO2 ZINC000016047182 525485403 /nfs/dbraw/zinc/48/54/03/525485403.db2.gz YRGLPIUHZBGJAG-JTQLQIEISA-N 0 0 495.171 4.482 50 0 JIAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(OCc3nnc(-c4ccccc4)o3)c2)cc1 ZINC000033307242 525487735 /nfs/dbraw/zinc/48/77/35/525487735.db2.gz JDGVKOPLEDVMKN-UHFFFAOYSA-N 0 0 477.542 4.427 50 0 JIAARN COc1ccc2[nH]cc(CCNC(=O)c3ccc(Cn4c5ccccc5nc(C)c4=O)cc3)c2c1 ZINC000033258820 525492121 /nfs/dbraw/zinc/49/21/21/525492121.db2.gz VNNNLAJECNMOKZ-UHFFFAOYSA-N 0 0 466.541 4.216 50 0 biogenic JIAARN COc1ccc2c(c1)C(N1CCN(S(=O)(=O)c3cccc(F)c3)CC1)=Nc1ccc(C)cc1O2 ZINC000034814701 525509376 /nfs/dbraw/zinc/50/93/76/525509376.db2.gz FWCJRFXVJYWYDI-UHFFFAOYSA-N 0 0 481.549 4.333 50 0 JIAARN Cc1c(-c2nc(-c3ccccc3C)no2)sc2ncn(CC(=O)NCc3cccs3)c(=O)c12 ZINC000045971857 525510807 /nfs/dbraw/zinc/51/08/07/525510807.db2.gz ATQIULOVOCXWLH-UHFFFAOYSA-N 0 0 477.571 4.170 50 0 JIAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Oc1ccc(Br)cc1Cl)C2=O ZINC000008824893 525513954 /nfs/dbraw/zinc/51/39/54/525513954.db2.gz CHXRZGCRHFMPMZ-JEOXALJRSA-N 0 0 457.752 4.145 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000064941002 525536816 /nfs/dbraw/zinc/53/68/16/525536816.db2.gz PALPURBRJZCDNV-KRWDZBQOSA-N 0 0 462.984 4.278 50 0 JIAARN C[C@@H]1Cn2c3c(nc2N(c2ccccc2)C1)n(C)c(=O)n(Cc1ccc(Cl)cc1Cl)c3=O ZINC000009192906 525541898 /nfs/dbraw/zinc/54/18/98/525541898.db2.gz TYZLLRLWFJDLHL-AWEZNQCLSA-N 0 0 470.360 4.040 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3c(F)cccc3F)Oc3ccc(C)cc32)cc1 ZINC000064985927 525554476 /nfs/dbraw/zinc/55/44/76/525554476.db2.gz PONGBTRPBMIKLK-NRFANRHFSA-N 0 0 458.486 4.177 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3Cl)Oc3ccc(C)cc32)cc1 ZINC000064985915 525557021 /nfs/dbraw/zinc/55/70/21/525557021.db2.gz VXFDQOKJSRAIGF-HSZRJFAPSA-N 0 0 470.978 4.230 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCCCCC3)Oc3ccc(Cl)cc32)cc1 ZINC000064986170 525557386 /nfs/dbraw/zinc/55/73/86/525557386.db2.gz KQGZCXBNGLFSKS-JOCHJYFZSA-N 0 0 462.999 4.444 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(F)cc3)Oc3ccc(Cl)cc32)cc1 ZINC000064986160 525558076 /nfs/dbraw/zinc/55/80/76/525558076.db2.gz INKWBUAXNFTAHK-OAQYLSRUSA-N 0 0 460.914 4.383 50 0 JIAARN Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2cc(C)cc3oc(=O)cc(C)c23)cc1 ZINC000002093984 525568357 /nfs/dbraw/zinc/56/83/57/525568357.db2.gz CTRJSRVBDBZSBL-UHFFFAOYSA-N 0 0 457.548 4.163 50 0 biogenic JIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1ccc(F)c(F)c1 ZINC000036167537 525581666 /nfs/dbraw/zinc/58/16/66/525581666.db2.gz LBGWMIJGEBVKOJ-XMMPIXPASA-N 0 0 458.530 4.439 50 0 JIAARN Cc1c(C(=O)N2CCOCC2)c(NC(=O)CSc2ccccn2)sc1-c1ccccc1 ZINC000009833581 525584156 /nfs/dbraw/zinc/58/41/56/525584156.db2.gz QFLJLHFKWWONIF-UHFFFAOYSA-N 0 0 453.589 4.322 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)c3ccccc3)c(=O)c3ccccc3n2C)cc1C ZINC000006142898 525590826 /nfs/dbraw/zinc/59/08/26/525590826.db2.gz DYBZTSHLBNZFGJ-IBGZPJMESA-N 0 0 489.597 4.447 50 0 JIAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000040062933 525592914 /nfs/dbraw/zinc/59/29/14/525592914.db2.gz JYDDDZHNYPKXKZ-NQIIRXRSSA-N 0 0 462.999 4.388 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2cc(=O)[nH]c(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000012492605 525593694 /nfs/dbraw/zinc/59/36/94/525593694.db2.gz VNBIEIZARPXYMB-UHFFFAOYSA-N 0 0 498.508 4.041 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H](C(=O)NC4CCCCC4)C3)cc2)cc1 ZINC000021707026 525597554 /nfs/dbraw/zinc/59/75/54/525597554.db2.gz OUPUMSAHXDECMX-NRFANRHFSA-N 0 0 483.634 4.097 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3noc([C@@H](C)NC(=O)c4ccccc4)n3)cc2)cc1 ZINC000021702563 525598068 /nfs/dbraw/zinc/59/80/68/525598068.db2.gz LCYOZXUIOABOMQ-QGZVFWFLSA-N 0 0 462.531 4.337 50 0 JIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccc(F)c(F)c1 ZINC000036167483 525598166 /nfs/dbraw/zinc/59/81/66/525598166.db2.gz UBQQINDDTLGUKD-QHCPKHFHSA-N 0 0 456.470 4.155 50 0 JIAARN COc1ccc2c(c1)c(NC(C)=O)c1n2C[C@@](C)(C(=O)NC2CCCC2)N(Cc2ccccc2)C1=O ZINC000021865883 525601791 /nfs/dbraw/zinc/60/17/91/525601791.db2.gz ACVDTSLPYFDSLE-NDEPHWFRSA-N 0 0 488.588 4.082 50 0 JIAARN Cc1cc2c(cc1CNC(=O)Cn1cc(C=O)c3cc(Br)ccc31)OCCCO2 ZINC000064987190 525604631 /nfs/dbraw/zinc/60/46/31/525604631.db2.gz YQLTZVFQFIMFGF-UHFFFAOYSA-N 0 0 457.324 4.002 50 0 JIAARN COc1ccc2cc(C(=O)N3CCC(CC(=O)NCc4ccc(SC)cc4)CC3)[nH]c2c1 ZINC000046125076 525620163 /nfs/dbraw/zinc/62/01/63/525620163.db2.gz CEDSIZWWVDPIEE-UHFFFAOYSA-N 0 0 451.592 4.457 50 0 JIAARN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)CC3CCCC3)c(N3CCOCC3)nc2c1 ZINC000014993892 525630042 /nfs/dbraw/zinc/63/00/42/525630042.db2.gz SQRMQAXTYFWQCQ-XMMPIXPASA-N 0 0 467.610 4.168 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000044974766 525634148 /nfs/dbraw/zinc/63/41/48/525634148.db2.gz BJKREVOHJDSJFR-UHFFFAOYSA-N 0 0 491.569 4.347 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1Cl)C3=O ZINC000021859811 525644884 /nfs/dbraw/zinc/64/48/84/525644884.db2.gz CQKFMOPDBOLXSE-FNZWTVRRSA-N 0 0 481.980 4.013 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC[C@H]1CCCO1)N(Cc1ccc(Cl)cc1)C3=O ZINC000021859835 525644972 /nfs/dbraw/zinc/64/49/72/525644972.db2.gz RTWIINJDIFJAGV-RLWLMLJZSA-N 0 0 481.980 4.013 50 0 JIAARN C[C@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000023627532 525657171 /nfs/dbraw/zinc/65/71/71/525657171.db2.gz ZEGFHMLSHWXOIG-FQEVSTJZSA-N 0 0 474.561 4.189 50 0 JIAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(OC)cc3OC)sc2c1 ZINC000033271642 525657247 /nfs/dbraw/zinc/65/72/47/525657247.db2.gz WXDAYXABLYRQIJ-INIZCTEOSA-N 0 0 450.520 4.290 50 0 JIAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4ccccc4Cl)c3C)cc(=O)n2o1 ZINC000041089617 525672172 /nfs/dbraw/zinc/67/21/72/525672172.db2.gz OAXKSOKQOVYFQZ-UHFFFAOYSA-N 0 0 451.866 4.167 50 0 JIAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(C)cc4Br)nc23)c(C)c1 ZINC000049009073 525674500 /nfs/dbraw/zinc/67/45/00/525674500.db2.gz LPWGEMBDEAUULN-UHFFFAOYSA-N 0 0 498.406 4.369 50 0 JIAARN Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)c2cc1C(C)C ZINC000089608984 525690997 /nfs/dbraw/zinc/69/09/97/525690997.db2.gz FQLUDDQEHWNOJR-UHFFFAOYSA-N 0 0 475.010 4.385 50 0 JIAARN COc1cccc(-c2cc(C(=O)N(CCC(=O)NCCOc3ccccc3)CC(C)C)no2)c1 ZINC000034922650 525700114 /nfs/dbraw/zinc/70/01/14/525700114.db2.gz YLYKTHVIQPEXBU-UHFFFAOYSA-N 0 0 465.550 4.034 50 0 JIAARN COc1cccc(-c2cc3c(N4CCC[C@@H](C(=O)N[C@@H](C)c5ccccc5)C4)nccn3n2)c1 ZINC000033266471 525709409 /nfs/dbraw/zinc/70/94/09/525709409.db2.gz SGPPVEJWHZLEJW-SIKLNZKXSA-N 0 0 455.562 4.499 50 0 JIAARN COc1cccc(-c2ccnc(-n3ncc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3C3CC3)n2)c1 ZINC000012456887 525715520 /nfs/dbraw/zinc/71/55/20/525715520.db2.gz DRPXFSJWJHEJLK-UHFFFAOYSA-N 0 0 498.562 4.317 50 0 JIAARN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000014797627 525728952 /nfs/dbraw/zinc/72/89/52/525728952.db2.gz BUAHRECBJIWAMF-UHFFFAOYSA-N 0 0 453.546 4.214 50 0 JIAARN COc1cccc(-c2nn(Cc3nc(-c4cccc(OC)c4OC)oc3C)c(=O)c3noc(C)c32)c1 ZINC000021883127 525730753 /nfs/dbraw/zinc/73/07/53/525730753.db2.gz PKYBRBXTWKWVJY-UHFFFAOYSA-N 0 0 488.500 4.397 50 0 JIAARN COc1cccc(-c2nnc(S[C@@H](C)C(=O)NCc3cccs3)n2Cc2ccco2)c1 ZINC000014200562 525733969 /nfs/dbraw/zinc/73/39/69/525733969.db2.gz YTAFKOPRZAIHPZ-HNNXBMFYSA-N 0 0 454.577 4.454 50 0 JIAARN COc1cccc(-n2c(=O)c3ccc(C(=O)N4CCOCC4)cc3nc2SCc2ccccc2)c1 ZINC000033078096 525742635 /nfs/dbraw/zinc/74/26/35/525742635.db2.gz GLTRIKLOJBGQPJ-UHFFFAOYSA-N 0 0 487.581 4.159 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCc3cccs3)C2)c1 ZINC000033175455 525744149 /nfs/dbraw/zinc/74/41/49/525744149.db2.gz FRMOUQUZAWIDGM-INIZCTEOSA-N 0 0 480.615 4.050 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCc3ccccc3F)C2)c1 ZINC000033302607 525744722 /nfs/dbraw/zinc/74/47/22/525744722.db2.gz FYZUGMVUASSSOK-SFHVURJKSA-N 0 0 492.576 4.128 50 0 JIAARN COc1cccc(-n2c3ncn([C@@H](C)c4ccccc4)c3c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000034693853 525751757 /nfs/dbraw/zinc/75/17/57/525751757.db2.gz CBOGPCIVFAKHSL-IBGZPJMESA-N 0 0 452.514 4.015 50 0 JIAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)C(=O)c4ccccc4C)CC3)nn2)cc1 ZINC000036069424 525752423 /nfs/dbraw/zinc/75/24/23/525752423.db2.gz HNJVATVVJOJRNJ-UHFFFAOYSA-N 0 0 485.632 4.207 50 0 JIAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccccc3c(-n3cccc3)c2C(=O)N1C[C@H]1CCCO1 ZINC000033249529 525791840 /nfs/dbraw/zinc/79/18/40/525791840.db2.gz IGUCOXZYDQUOFS-PIKZIKFNSA-N 0 0 474.605 4.274 50 0 JIAARN COc1cccc(C(=O)N2CCC(c3nnc(C(=O)Nc4ccc(F)cc4F)s3)CC2)c1 ZINC000033272977 525796720 /nfs/dbraw/zinc/79/67/20/525796720.db2.gz UNMFDBPQSYCEBP-UHFFFAOYSA-N 0 0 458.490 4.097 50 0 JIAARN C[C@@]1(C(=O)NC[C@@H]2CCCO2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(Cl)c1 ZINC000021859592 525799587 /nfs/dbraw/zinc/79/95/87/525799587.db2.gz XZWSZOHGZPQWIV-CPJSRVTESA-N 0 0 451.954 4.005 50 0 JIAARN COc1cccc(C(=O)N2C[C@H](C(=O)NCc3ccc(F)cc3)[C@@H](c3cccc(OC)c3OC)C2)c1 ZINC000036054424 525810039 /nfs/dbraw/zinc/81/00/39/525810039.db2.gz CABAPKMOMJRZPL-RPWUZVMVSA-N 0 0 492.547 4.024 50 0 JIAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCCCN3CCOCC3)o2)cc1 ZINC000039843941 525818024 /nfs/dbraw/zinc/81/80/24/525818024.db2.gz 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CC(C)NC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)c2ccc(F)cc2)c1 ZINC000096279484 535279446 /nfs/dbraw/zinc/27/94/46/535279446.db2.gz FRCGGWPIUKGWCV-QFIPXVFZSA-N 0 0 456.562 4.243 50 0 JIAARN CCc1nc2c(Cl)cc(Cl)cc2c(N(CCC(=O)NCCOC)Cc2ccco2)n1 ZINC000096288782 536154506 /nfs/dbraw/zinc/15/45/06/536154506.db2.gz HAMXQSVZFCPKDM-UHFFFAOYSA-N 0 0 451.354 4.251 50 0 JIAARN COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccc(OC)cc4)[C@H]3C2=O)cc1 ZINC000102843857 536729665 /nfs/dbraw/zinc/72/96/65/536729665.db2.gz NKEZYWTWEOVIMM-DNVJHFABSA-N 0 0 492.915 4.186 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1)C(=O)c1cccc(F)c1 ZINC000096294385 536814905 /nfs/dbraw/zinc/81/49/05/536814905.db2.gz GDGJIMHYIXMWIS-AREMUKBSSA-N 0 0 489.547 4.301 50 0 JIAARN COc1cccc(/C=C(\C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)c1 ZINC000096481978 537074119 /nfs/dbraw/zinc/07/41/19/537074119.db2.gz DUVQPMRHRMVXLN-NLKUQUHMSA-N 0 0 459.498 4.213 50 0 JIAARN 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POWNMVMAWLRUOU-XBXARRHUSA-N 0 0 467.366 4.123 50 0 JIAARN CCOc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2C)C3=O)cc1 ZINC000000952542 553882112 /nfs/dbraw/zinc/88/21/12/553882112.db2.gz TVIKVKMXCJHHIZ-UHFFFAOYSA-N 0 0 472.497 4.298 50 0 JIAARN COc1ccccc1NC(=O)c1sc2ncn([C@@H](C)C(=O)OCc3ccccc3)c(=O)c2c1C ZINC000000955605 553883385 /nfs/dbraw/zinc/88/33/85/553883385.db2.gz IXYRUAJDPWVPAD-INIZCTEOSA-N 0 0 477.542 4.332 50 0 JIAARN COC(=O)c1cccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)c1 ZINC000000959946 553886114 /nfs/dbraw/zinc/88/61/14/553886114.db2.gz NDLOFVBNOPRUKK-UHFFFAOYSA-N 0 0 489.915 4.157 50 0 JIAARN COC(=O)C1=C(C)N=c2s/c(=C\c3c(C)[nH]c4ccccc43)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000000970908 553887218 /nfs/dbraw/zinc/88/72/18/553887218.db2.gz OEHSNJDJCMUDHQ-PNZYDNNZSA-N 0 0 485.609 4.321 50 0 JIAARN CCN1c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c3cccc(c23)C1=O ZINC000000971248 553887532 /nfs/dbraw/zinc/88/75/32/553887532.db2.gz UDEWHZPAVKKALX-UHFFFAOYSA-N 0 0 463.559 4.247 50 0 JIAARN COc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000000972353 553887749 /nfs/dbraw/zinc/88/77/49/553887749.db2.gz VVSDGDXGOHPDGF-UHFFFAOYSA-N 0 0 468.575 4.463 50 0 JIAARN CCOC(=O)c1c2cc(OC)c(Br)cc2oc1CN1C(=O)c2ccccc2C1=O ZINC000000978694 553889993 /nfs/dbraw/zinc/88/99/93/553889993.db2.gz KLJSORZWTXYZIQ-UHFFFAOYSA-N 0 0 458.264 4.177 50 0 JIAARN COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000000979385 553890414 /nfs/dbraw/zinc/89/04/14/553890414.db2.gz SUMJYAWXLJCIRO-UHFFFAOYSA-N 0 0 485.005 4.437 50 0 JIAARN O=C1S/C(=C\c2ccc(O)c(I)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000000979780 553890417 /nfs/dbraw/zinc/89/04/17/553890417.db2.gz NDICSDAEZYKHKR-NVNXTCNLSA-N 0 0 482.255 4.142 50 0 JIAARN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000000983577 553892407 /nfs/dbraw/zinc/89/24/07/553892407.db2.gz RQFPGWUVHLNTRA-LBPRGKRZSA-N 0 0 464.893 4.453 50 0 JIAARN COCc1nnc(SCC(=O)Nc2cc(OC)ccc2OC)n1-c1cccc2ccccc21 ZINC000001123912 553912855 /nfs/dbraw/zinc/91/28/55/553912855.db2.gz HDQHLDMSVAELFA-UHFFFAOYSA-N 0 0 464.547 4.315 50 0 JIAARN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000001133469 553914747 /nfs/dbraw/zinc/91/47/47/553914747.db2.gz JMNHERAPZBXOMV-UHFFFAOYSA-N 0 0 499.843 4.452 50 0 JIAARN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1F ZINC000001171363 553922929 /nfs/dbraw/zinc/92/29/29/553922929.db2.gz UZNMUZHIYXLZDS-UHFFFAOYSA-N 0 0 463.328 4.422 50 0 JIAARN COc1ccc(CNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001174453 553924757 /nfs/dbraw/zinc/92/47/57/553924757.db2.gz PHTOLQWRLFOGEK-UHFFFAOYSA-N 0 0 472.994 4.477 50 0 JIAARN Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2cccc(I)c2)cc1 ZINC000001185065 553930317 /nfs/dbraw/zinc/93/03/17/553930317.db2.gz OBIXKWPOGHHJOT-LJQANCHMSA-N 0 0 460.271 4.244 50 0 JIAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2ncn(CC(=O)OCCOc3ccccc3)c(=O)c12 ZINC000001784736 553989005 /nfs/dbraw/zinc/98/90/05/553989005.db2.gz KIOQUCJGFCLJPX-UHFFFAOYSA-N 0 0 491.569 4.258 50 0 JIAARN Cc1ccc(C(=O)NCc2ccccc2)cc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O ZINC000001953958 554007153 /nfs/dbraw/zinc/00/71/53/554007153.db2.gz IMEPGYSBKWEVPH-UHFFFAOYSA-N 0 0 459.933 4.356 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000002058954 554015584 /nfs/dbraw/zinc/01/55/84/554015584.db2.gz OWOMUGNOLFTDBP-RZXXJPOTSA-N 0 0 487.408 4.414 50 0 JIAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n2[C@H]1c1ccccc1Cl ZINC000002059942 554016412 /nfs/dbraw/zinc/01/64/12/554016412.db2.gz CPIHMTFNTYOCKG-CVGPFBNFSA-N 0 0 474.969 4.215 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000002070592 554022158 /nfs/dbraw/zinc/02/21/58/554022158.db2.gz CYMQXEJLWJMSSR-AWXDTPSPSA-N 0 0 464.974 4.117 50 0 JIAARN COc1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 ZINC000002089227 554034027 /nfs/dbraw/zinc/03/40/27/554034027.db2.gz BMKWQCKDRQXKQQ-MOSHPQCFSA-N 0 0 451.479 4.300 50 0 JIAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](CC)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002092209 554035559 /nfs/dbraw/zinc/03/55/59/554035559.db2.gz GIPNWMZQIBXIOP-OAQYLSRUSA-N 0 0 471.575 4.415 50 0 biogenic JIAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002092547 554035905 /nfs/dbraw/zinc/03/59/05/554035905.db2.gz GVSPHTZHTXDFIQ-JLTOFOAXSA-N 0 0 498.841 4.175 50 0 JIAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002095094 554039605 /nfs/dbraw/zinc/03/96/05/554039605.db2.gz COEIXXNOSBKRKI-MZNJEOGPSA-N 0 0 483.586 4.279 50 0 JIAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N32)cc1OC ZINC000002096725 554040806 /nfs/dbraw/zinc/04/08/06/554040806.db2.gz FWMJRHTXZIXOPB-FIPFOOKPSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(F)cc4)CC(=O)N32)cc1OC ZINC000002103558 554044254 /nfs/dbraw/zinc/04/42/54/554044254.db2.gz HSIIMOPXCLEGKM-FIPFOOKPSA-N 0 0 499.542 4.209 50 0 biogenic JIAARN CC(C)OCCCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000002104862 554045483 /nfs/dbraw/zinc/04/54/83/554045483.db2.gz NHYPCBFCPWDXCT-RDGATRHJSA-N 0 0 465.981 4.321 50 0 biogenic JIAARN CCCCCN1CC(=O)N2[C@H](c3ccc(OC)cc3OC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002104946 554045580 /nfs/dbraw/zinc/04/55/80/554045580.db2.gz ACSMIUVCSCVFCN-BKMJKUGQSA-N 0 0 461.562 4.060 50 0 biogenic JIAARN CCCCN1CC(=O)N2[C@H](c3ccc(OC(C)C)c(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002109641 554049011 /nfs/dbraw/zinc/04/90/11/554049011.db2.gz WVKWWLKOTGQDGT-WXVAWEFUSA-N 0 0 475.589 4.449 50 0 biogenic JIAARN COc1ccccc1/C=C/C(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000002136782 554062087 /nfs/dbraw/zinc/06/20/87/554062087.db2.gz XOMQERYBMDFBAG-SFQUDFHCSA-N 0 0 481.599 4.047 50 0 in-vitro JIAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)cc(C)c12 ZINC000002148236 554067585 /nfs/dbraw/zinc/06/75/85/554067585.db2.gz ORVBCMVPZJJNOM-QMHKHESXSA-N 0 0 457.548 4.017 50 0 JIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N32)c1OC ZINC000002152402 554070772 /nfs/dbraw/zinc/07/07/72/554070772.db2.gz QEVQWBWRVGQWPH-HOFKKMOUSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N32)cc1OC ZINC000002158724 554073821 /nfs/dbraw/zinc/07/38/21/554073821.db2.gz VUQROGFOHXNTSX-OUTSHDOLSA-N 0 0 495.579 4.460 50 0 biogenic JIAARN CC(C)[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000002191090 554086248 /nfs/dbraw/zinc/08/62/48/554086248.db2.gz QEIYEIYHGOJUEV-GOSISDBHSA-N 0 0 452.265 4.179 50 0 JIAARN CCOC(=O)c1c(C)c(-c2ccccc2)sc1N[C@](NC(=O)CC)(C(=O)OC)C(F)(F)F ZINC000002192055 554087165 /nfs/dbraw/zinc/08/71/65/554087165.db2.gz KUNFPTXFJVJTGV-HXUWFJFHSA-N 0 0 472.485 4.270 50 0 JIAARN Cc1nn2c(nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)c1C(=O)NCCCn1ccnc1 ZINC000002192886 554088012 /nfs/dbraw/zinc/08/80/12/554088012.db2.gz UCBZSJWWODQPQS-UHFFFAOYSA-N 0 0 462.863 4.394 50 0 JIAARN Cn1nc(-c2ccc(N3CCCCC3)c(NS(=O)(=O)c3ccccc3)c2)c2ccccc2c1=O ZINC000002209811 554094379 /nfs/dbraw/zinc/09/43/79/554094379.db2.gz WOWQRPZZKIZYMC-UHFFFAOYSA-N 0 0 474.586 4.392 50 0 JIAARN CC(C)Cc1nc2sc3c(ncnc3SCC(=O)N3CCOCC3)c2c2c1COC(C)(C)C2 ZINC000002219802 554099903 /nfs/dbraw/zinc/09/99/03/554099903.db2.gz KWONELPNVGCZHM-UHFFFAOYSA-N 0 0 486.663 4.240 50 0 JIAARN COc1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(-c3ccc(Cl)cc3)c2=O)CCCC4)cc1 ZINC000002263657 554123512 /nfs/dbraw/zinc/12/35/12/554123512.db2.gz UDHJCNUTELGLCF-UHFFFAOYSA-N 0 0 495.988 4.393 50 0 JIAARN COc1ccc(-n2c(N)c(C(=O)NCCc3ccccc3OC)c3nc4ccccc4nc32)cc1 ZINC000002277799 554129670 /nfs/dbraw/zinc/12/96/70/554129670.db2.gz HXKBOEFGROPREZ-UHFFFAOYSA-N 0 0 467.529 4.146 50 0 JIAARN COc1cccc(-n2c(N)c(C(=O)NCc3cccc(OC)c3OC)c3nc4ccccc4nc32)c1 ZINC000002281184 554130799 /nfs/dbraw/zinc/13/07/99/554130799.db2.gz KAROXDULCXVPBW-UHFFFAOYSA-N 0 0 483.528 4.112 50 0 JIAARN COc1ccc(CNC(=O)c2c(N)n(-c3cccc(C)c3)c3nc4ccccc4nc32)cc1OC ZINC000002281454 554131221 /nfs/dbraw/zinc/13/12/21/554131221.db2.gz CQHTZCUQWJBGGQ-UHFFFAOYSA-N 0 0 467.529 4.412 50 0 JIAARN COc1cccc(-n2c(N)c(C(=O)NCCc3ccc(OC)c(OC)c3)c3nc4ccccc4nc32)c1 ZINC000002286536 554133158 /nfs/dbraw/zinc/13/31/58/554133158.db2.gz YFLKTTHXQDWTTG-UHFFFAOYSA-N 0 0 497.555 4.154 50 0 JIAARN COc1ccc(OC)c(-n2c(N)c(C(=O)NCCc3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002290795 554135021 /nfs/dbraw/zinc/13/50/21/554135021.db2.gz ZHBWWDPOHILOAH-UHFFFAOYSA-N 0 0 467.529 4.146 50 0 JIAARN Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1-c1cccc(C(F)(F)F)c1 ZINC000002291151 554135287 /nfs/dbraw/zinc/13/52/87/554135287.db2.gz BGHWRCCOTDWHEM-HNNXBMFYSA-N 0 0 455.440 4.084 50 0 JIAARN COc1ccc(-n2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)c(OC)c1 ZINC000002291349 554135709 /nfs/dbraw/zinc/13/57/09/554135709.db2.gz RGUCCMMAISOLPV-UHFFFAOYSA-N 0 0 453.502 4.103 50 0 JIAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000002309356 554143122 /nfs/dbraw/zinc/14/31/22/554143122.db2.gz GOGSUHRXIFKMSW-CYBMUJFWSA-N 0 0 456.340 4.102 50 0 JIAARN COC(=O)[C@@](NC(=O)Nc1cc(Cl)ccc1OC)(Oc1ccc(F)cc1)C(F)(F)F ZINC000002316913 554146160 /nfs/dbraw/zinc/14/61/60/554146160.db2.gz FOABBCVVMFMIGH-QGZVFWFLSA-N 0 0 450.772 4.120 50 0 JIAARN C[C@H](C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O ZINC000002331123 554151390 /nfs/dbraw/zinc/15/13/90/554151390.db2.gz OBTOTBSUBPXLHS-VFNWGFHPSA-N 0 0 463.331 4.339 50 0 JIAARN C[C@@H](C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O ZINC000002331124 554151408 /nfs/dbraw/zinc/15/14/08/554151408.db2.gz OBTOTBSUBPXLHS-YCRPNKLZSA-N 0 0 463.331 4.339 50 0 JIAARN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1ccc2c(c1)OCCO2 ZINC000002337976 554154901 /nfs/dbraw/zinc/15/49/01/554154901.db2.gz CXORYSAZRIXWBO-AREMUKBSSA-N 0 0 462.571 4.495 50 0 JIAARN CCOC(=O)c1c(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)sc2c1CCCCC2 ZINC000002339628 554155611 /nfs/dbraw/zinc/15/56/11/554155611.db2.gz QDUQIAQUCAQLCJ-UHFFFAOYSA-N 0 0 491.418 4.400 50 0 JIAARN CCOC(=O)c1ccc(NC2=C(Br)[C@@](C)(C(=O)OCC)N(c3ccccc3)C2=O)cc1 ZINC000002342760 554156966 /nfs/dbraw/zinc/15/69/66/554156966.db2.gz ZDQZYGJJMCPHNQ-QHCPKHFHSA-N 0 0 487.350 4.250 50 0 JIAARN CCCCOc1ccccc1/C=c1\sc2nc(-c3ccc(Br)cc3)nn2c1=O ZINC000002366090 554167611 /nfs/dbraw/zinc/16/76/11/554167611.db2.gz IWSXPGFYNRSZLG-AQTBWJFISA-N 0 0 456.365 4.307 50 0 JIAARN O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)Nc1cccc(Br)c1 ZINC000002373476 554171907 /nfs/dbraw/zinc/17/19/07/554171907.db2.gz VQPCMEXPPDRDQB-UHFFFAOYSA-N 0 0 470.352 4.475 50 0 JIAARN COc1cccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2N)c1 ZINC000002391491 554179596 /nfs/dbraw/zinc/17/95/96/554179596.db2.gz GZFBXYIJRCHPQY-UHFFFAOYSA-N 0 0 491.417 4.436 50 0 JIAARN COc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002410746 554191622 /nfs/dbraw/zinc/19/16/22/554191622.db2.gz XZWCBPKCGOACNU-JXFKEZNVSA-N 0 0 470.319 4.288 50 0 JIAARN COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC(C)C)cc(OC)c1OC ZINC000002411872 554192717 /nfs/dbraw/zinc/19/27/17/554192717.db2.gz YSYOXQDGVMRWDP-QHCPKHFHSA-N 0 0 481.545 4.488 50 0 JIAARN COc1cc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc(OC)c1OC ZINC000002413862 554193504 /nfs/dbraw/zinc/19/35/04/554193504.db2.gz AEKGVOXGALTOFV-HXOBKFHXSA-N 0 0 479.529 4.160 50 0 JIAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(Br)cc2)N1C[C@H]1CCCO1 ZINC000002416985 554195723 /nfs/dbraw/zinc/19/57/23/554195723.db2.gz PNIHWSKIHCQWLP-DNVCBOLYSA-N 0 0 458.283 4.419 50 0 JIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002419747 554197542 /nfs/dbraw/zinc/19/75/42/554197542.db2.gz PCUWMGZJRSWGRU-UZLBHIALSA-N 0 0 498.329 4.066 50 0 JIAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(Br)c2)N1C[C@H]1CCCO1 ZINC000002420338 554197880 /nfs/dbraw/zinc/19/78/80/554197880.db2.gz RLIAFSPAXGIAEH-DNVCBOLYSA-N 0 0 458.283 4.419 50 0 JIAARN COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C2=C(N=3)c3ccccc3CC2)c1O ZINC000002434687 554206727 /nfs/dbraw/zinc/20/67/27/554206727.db2.gz PLYDCABCRXEJJD-SJJVXOANSA-N 0 0 480.589 4.341 50 0 JIAARN Cc1sc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n(Cc3ccco3)c(=O)c2c1C ZINC000002438856 554208725 /nfs/dbraw/zinc/20/87/25/554208725.db2.gz CFRVVSKLWAWUPW-UHFFFAOYSA-N 0 0 483.571 4.218 50 0 JIAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000002442785 554210748 /nfs/dbraw/zinc/21/07/48/554210748.db2.gz AKSWIYRRLYMDDG-UHFFFAOYSA-N 0 0 465.922 4.442 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)cc1OC ZINC000002445321 554212648 /nfs/dbraw/zinc/21/26/48/554212648.db2.gz GVBHWWHKMMCYSE-UHFFFAOYSA-N 0 0 485.587 4.464 50 0 JIAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc2-c2ccncc2)cc1 ZINC000002450102 554217212 /nfs/dbraw/zinc/21/72/12/554217212.db2.gz UNJGKDBPFZNIDJ-UHFFFAOYSA-N 0 0 489.557 4.230 50 0 JIAARN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=C2SCCC(=O)N21 ZINC000002486134 554226386 /nfs/dbraw/zinc/22/63/86/554226386.db2.gz ZDGCHUSHQDVLSF-QGZVFWFLSA-N 0 0 453.358 4.060 50 0 JIAARN 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ZINC000002886125 554406400 /nfs/dbraw/zinc/40/64/00/554406400.db2.gz CDEMNBPYNNVIKI-UHFFFAOYSA-N 0 0 470.547 4.139 50 0 JIAARN CCOc1ccccc1N(CC(=O)NCCSc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002984086 554418955 /nfs/dbraw/zinc/41/89/55/554418955.db2.gz GGMIHOUOEYGEFK-UHFFFAOYSA-N 0 0 484.643 4.498 50 0 JIAARN CCN(CC)[P@@]1(=O)OC(c2cc(OC)c(OC)c(OC)c2)=Nc2c1c(C)nn2-c1ccccc1 ZINC000003182811 554428894 /nfs/dbraw/zinc/42/88/94/554428894.db2.gz AFNNKTVMDLGOSP-UMSFTDKQSA-N 0 0 484.493 4.475 50 0 JIAARN Cc1c(NC(=O)[C@@H](C)OC(=O)C2(c3ccc(F)cc3)CCCC2)c(=O)n(-c2ccccc2)n1C ZINC000003228301 554434033 /nfs/dbraw/zinc/43/40/33/554434033.db2.gz HCIMHHRDDGPQRS-GOSISDBHSA-N 0 0 465.525 4.006 50 0 JIAARN COc1ccc(OC)c(-n2c(=O)c3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3[nH]c2=S)c1 ZINC000003631334 554468012 /nfs/dbraw/zinc/46/80/12/554468012.db2.gz JBWMVLXMRPBSQO-UHFFFAOYSA-N 0 0 495.988 4.318 50 0 JIAARN CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000003977765 554471929 /nfs/dbraw/zinc/47/19/29/554471929.db2.gz CBGUOGMQLZIXBE-ZOQAIDMISA-N 0 0 466.977 4.103 50 0 in-vitro JIAARN C[C@H](NC(=O)CCCCCCC(=O)N[C@@H](C)[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 ZINC000005221316 554487341 /nfs/dbraw/zinc/48/73/41/554487341.db2.gz JVKYCWVBOGIFCQ-HKDRDPIHSA-N 0 0 496.604 4.016 50 0 JIAARN COc1ccc2c(C)cc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nc2c1 ZINC000006094763 554505035 /nfs/dbraw/zinc/50/50/35/554505035.db2.gz BSTNJVQZMHYOFM-UHFFFAOYSA-N 0 0 471.604 4.067 50 0 JIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000006094962 554505391 /nfs/dbraw/zinc/50/53/91/554505391.db2.gz NPEYTMSPBAGJOV-UHFFFAOYSA-N 0 0 460.625 4.140 50 0 JIAARN CC(C)COc1ccc(-c2nc3s/c(=C/c4cccc(Br)c4)c(=O)n3n2)cc1 ZINC000006214041 554520159 /nfs/dbraw/zinc/52/01/59/554520159.db2.gz LDPBJNAQJCHBRN-WOJGMQOQSA-N 0 0 456.365 4.163 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)ccc1Cl ZINC000006277205 554523874 /nfs/dbraw/zinc/52/38/74/554523874.db2.gz PZKHYAMVZONKJS-IBGZPJMESA-N 0 0 495.070 4.471 50 0 JIAARN O=C1C[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000006444635 554538990 /nfs/dbraw/zinc/53/89/90/554538990.db2.gz SCMQWFZOVLZXDW-SFHVURJKSA-N 0 0 472.294 4.466 50 0 JIAARN Cc1csc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2-c2ccccc2)n1 ZINC000006577480 554552976 /nfs/dbraw/zinc/55/29/76/554552976.db2.gz KWXSZJDIOJJFTJ-UHFFFAOYSA-N 0 0 494.627 4.188 50 0 aggregator JIAARN CCCCCOc1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008384451 554567587 /nfs/dbraw/zinc/56/75/87/554567587.db2.gz JEMKBCCPGVBDCD-OAQYLSRUSA-N 0 0 475.607 4.102 50 0 JIAARN CC(=O)c1cccc(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)c4ccc(C)cc4)cc3C2=O)c1 ZINC000008414041 554578079 /nfs/dbraw/zinc/57/80/79/554578079.db2.gz IKDCPPIAXHXLTK-QGZVFWFLSA-N 0 0 455.466 4.426 50 0 JIAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCCCOc1ccccc1 ZINC000008426270 554581300 /nfs/dbraw/zinc/58/13/00/554581300.db2.gz STCUJPVWLQOLJP-ULJHMMPZSA-N 0 0 458.539 4.313 50 0 JIAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cccc(C)c4)c(=O)n32)cc1 ZINC000008432725 554586219 /nfs/dbraw/zinc/58/62/19/554586219.db2.gz MIQHVALKUFRANY-AREMUKBSSA-N 0 0 495.604 4.191 50 0 JIAARN CCC(=O)Nc1nnc(SCC(=O)Nc2nnc(SCc3cccc(C)c3)s2)s1 ZINC000008438359 554589204 /nfs/dbraw/zinc/58/92/04/554589204.db2.gz GDFWNGCIQHCBGK-UHFFFAOYSA-N 0 0 466.639 4.070 50 0 JIAARN Cc1sc(NC(=O)CSc2nnc(CCNC(=O)c3cccs3)n2C)nc1-c1ccccc1 ZINC000008442078 554591597 /nfs/dbraw/zinc/59/15/97/554591597.db2.gz HADHZQQXSFYGTD-UHFFFAOYSA-N 0 0 498.659 4.012 50 0 JIAARN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Br)c1OCC#N ZINC000008453649 554599284 /nfs/dbraw/zinc/59/92/84/554599284.db2.gz LIFZFXBIWHYJFV-UHFFFAOYSA-N 0 0 464.232 4.013 50 0 JIAARN COc1ccc(OC)c(CCNC(=O)c2ccc(C[S@@](=O)Cc3cccc(Cl)c3)o2)c1 ZINC000008589258 554602166 /nfs/dbraw/zinc/60/21/66/554602166.db2.gz UGMIJHJNXDQGQR-WJOKGBTCSA-N 0 0 461.967 4.372 50 0 JIAARN COc1ccc(-c2nc3c(c(SCC(=O)NCCc4ccccc4)n2)COC(C)(C)C3)cc1 ZINC000008739834 554641591 /nfs/dbraw/zinc/64/15/91/554641591.db2.gz TUIJAEPOTKKUBM-UHFFFAOYSA-N 0 0 463.603 4.455 50 0 JIAARN COc1ccc(CN(C(=O)Cn2cnc3cc(F)ccc3c2=O)[C@@H](C)Cc2cccs2)cc1 ZINC000008745975 554649120 /nfs/dbraw/zinc/64/91/20/554649120.db2.gz TZPLZZJDABSAGA-KRWDZBQOSA-N 0 0 465.550 4.266 50 0 JIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c1 ZINC000008746069 554649211 /nfs/dbraw/zinc/64/92/11/554649211.db2.gz MBDPFVMXDNDDND-HXUWFJFHSA-N 0 0 465.579 4.148 50 0 JIAARN O=C(NC1CC1)[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000008754680 554656391 /nfs/dbraw/zinc/65/63/91/554656391.db2.gz ZHKZPOSTNWYCHI-GHTZIAJQSA-N 0 0 469.994 4.341 50 0 JIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008755653 554657819 /nfs/dbraw/zinc/65/78/19/554657819.db2.gz PRZWIMYQWZLYJB-OAHLLOKOSA-N 0 0 451.548 4.402 50 0 JIAARN NC(=O)Cn1c(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)nc2ccccc2c1=O ZINC000008761974 554661487 /nfs/dbraw/zinc/66/14/87/554661487.db2.gz VTNIDVJSLRYHEH-UHFFFAOYSA-N 0 0 495.008 4.201 50 0 JIAARN CCOC(=O)N[C@@H]1Cc2ccccc2[C@@H]1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000008762176 554661921 /nfs/dbraw/zinc/66/19/21/554661921.db2.gz RVIREDORLMXCKF-MOPGFXCFSA-N 0 0 468.907 4.288 50 0 JIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000008771303 554671362 /nfs/dbraw/zinc/67/13/62/554671362.db2.gz BSBJUSJYKJTZRC-UHFFFAOYSA-N 0 0 451.595 4.187 50 0 JIAARN O=C(c1nnn(-c2ccc(Cl)cc2)c1-c1ccccc1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000008773597 554672977 /nfs/dbraw/zinc/67/29/77/554672977.db2.gz LNWCYLWEVHQESP-MJGOQNOKSA-N 0 0 471.948 4.009 50 0 JIAARN Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)NC[C@H]4CCCO4)c3)cc2)cs1 ZINC000008774360 554673218 /nfs/dbraw/zinc/67/32/18/554673218.db2.gz HLBLQWAFEAXDFO-GOSISDBHSA-N 0 0 492.022 4.482 50 0 JIAARN CN1C(=O)N(C)C(=O)C2(Cc3cc(C(F)(F)F)ccc3N3CC[C@@H](Cc4ccccc4)C[C@@H]32)C1=O ZINC000008773753 554673226 /nfs/dbraw/zinc/67/32/26/554673226.db2.gz OATGMABRWHPTOA-LAUBAEHRSA-N 0 0 485.506 4.126 50 0 JIAARN CCCOc1ccc([C@H]2CN3C(=O)CN(C4CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000008788825 554680717 /nfs/dbraw/zinc/68/07/17/554680717.db2.gz ZJANAWUYRPPKFZ-NGOKVRLYSA-N 0 0 473.573 4.159 50 0 biogenic JIAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN([C@@H](C)CC)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008789265 554681604 /nfs/dbraw/zinc/68/16/04/554681604.db2.gz GDHKBOZSAUODSU-MNUVWUGUSA-N 0 0 475.589 4.405 50 0 biogenic JIAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)c12)OC(C)(C)CC3 ZINC000008791656 554684918 /nfs/dbraw/zinc/68/49/18/554684918.db2.gz PLIFOASUMHSORN-UHFFFAOYSA-N 0 0 480.536 4.072 50 0 biogenic JIAARN CC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000008791647 554684920 /nfs/dbraw/zinc/68/49/20/554684920.db2.gz PVGIVJHMYWKRAE-KJPXCWHJSA-N 0 0 486.616 4.083 50 0 biogenic JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)CCc3ccccc3)s2)cc1 ZINC000008794372 554686423 /nfs/dbraw/zinc/68/64/23/554686423.db2.gz ZLVVKSHUMBXADC-UHFFFAOYSA-N 0 0 470.576 4.017 50 0 JIAARN CCOC(=O)N1CCC(n2c(=O)c3sccc3nc2SCC(=O)c2ccccc2)CC1 ZINC000008801964 554687546 /nfs/dbraw/zinc/68/75/46/554687546.db2.gz XPLSUDGPQNMAJW-UHFFFAOYSA-N 0 0 457.577 4.226 50 0 JIAARN Cc1c(S(=O)(=O)CCNC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccccc1 ZINC000008808539 554687725 /nfs/dbraw/zinc/68/77/25/554687725.db2.gz GNXSCMZWEQELNH-UHFFFAOYSA-N 0 0 491.569 4.322 50 0 JIAARN O=C(NCCCSC1CCCCC1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000008813547 554695992 /nfs/dbraw/zinc/69/59/92/554695992.db2.gz CSXJVKMKNNRUIN-UHFFFAOYSA-N 0 0 452.686 4.344 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000008818880 554702825 /nfs/dbraw/zinc/70/28/25/554702825.db2.gz HIAZNDOOINJJCF-RJLSUYPNSA-N 0 0 482.964 4.256 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000008818902 554702833 /nfs/dbraw/zinc/70/28/33/554702833.db2.gz PVASRHSLXRHXLP-OBXYEHHASA-N 0 0 491.371 4.244 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2nnc(NC(=O)c3ccccc3Cl)s2)c1 ZINC000008823244 554710701 /nfs/dbraw/zinc/71/07/01/554710701.db2.gz YFJHPEUYEIJJAZ-UHFFFAOYSA-N 0 0 464.956 4.192 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000008839841 554739826 /nfs/dbraw/zinc/73/98/26/554739826.db2.gz XMHJELJAQVQDOZ-QHCPKHFHSA-N 0 0 476.558 4.030 50 0 JIAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 ZINC000008840678 554739977 /nfs/dbraw/zinc/73/99/77/554739977.db2.gz PXLFOZJFGBWEMH-UHFFFAOYSA-N 0 0 463.559 4.315 50 0 JIAARN COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc3cc(Br)cc(OC)c3oc2=O)cc1 ZINC000008843661 554740984 /nfs/dbraw/zinc/74/09/84/554740984.db2.gz HAWCNQXMXPEVED-LLVKDONJSA-N 0 0 461.264 4.001 50 0 JIAARN Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)n[nH]2)c1 ZINC000008845329 554742316 /nfs/dbraw/zinc/74/23/16/554742316.db2.gz KAFXKVOOUJSQID-QGZVFWFLSA-N 0 0 468.579 4.215 50 0 JIAARN CCCCOc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCOC)cc1OC ZINC000008845323 554742349 /nfs/dbraw/zinc/74/23/49/554742349.db2.gz HRXIQPSMIRHPNH-RUZDIDTESA-N 0 0 465.550 4.470 50 0 JIAARN Cc1ccc(O)c(-c2cc(C(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCC4)n[nH]2)c1 ZINC000008845377 554742353 /nfs/dbraw/zinc/74/23/53/554742353.db2.gz NPROMHVFBHAINW-UHFFFAOYSA-N 0 0 462.531 4.416 50 0 JIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2Br)o1 ZINC000008855612 554751241 /nfs/dbraw/zinc/75/12/41/554751241.db2.gz IPQDEUQIKBSHOJ-LBPRGKRZSA-N 0 0 473.352 4.355 50 0 JIAARN O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)NCCc1c[nH]c2ccccc12 ZINC000008855601 554751264 /nfs/dbraw/zinc/75/12/64/554751264.db2.gz SZKJMMADYSRWMZ-UHFFFAOYSA-N 0 0 453.877 4.334 50 0 JIAARN C[C@@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc2c(c1)CCCC2 ZINC000008855991 554751853 /nfs/dbraw/zinc/75/18/53/554751853.db2.gz ABVWSMOUJZKLRR-MRXNPFEDSA-N 0 0 459.575 4.369 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CSc3nnc(-c4cccnc4)n3C)[C@H](c3ccco3)C2)cc1 ZINC000008861294 554758274 /nfs/dbraw/zinc/75/82/74/554758274.db2.gz JEFPVGUNVDXCSP-FQEVSTJZSA-N 0 0 458.547 4.249 50 0 JIAARN C[C@H](NC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1C)c1ccccc1 ZINC000008861290 554758316 /nfs/dbraw/zinc/75/83/16/554758316.db2.gz AVFLESGKEMHTRT-KRWDZBQOSA-N 0 0 472.574 4.099 50 0 JIAARN CC(=O)Nc1nonc1N1C(=N)S/C(=C/c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)C1=O ZINC000008868183 554761944 /nfs/dbraw/zinc/76/19/44/554761944.db2.gz MWFKGOKSNWAYRY-LANNQIRMSA-N 0 0 479.396 4.242 50 0 JIAARN O=C(Nc1nc2ccc(F)cc2s1)c1nc(S(=O)(=O)Cc2ccc(F)cc2)ncc1Cl ZINC000008868722 554762390 /nfs/dbraw/zinc/76/23/90/554762390.db2.gz QYNSJMFASBJCEG-UHFFFAOYSA-N 0 0 480.905 4.244 50 0 JIAARN Cc1cc(OC(=O)c2ccncc2)ccc1N(C(=O)c1ccncc1)S(=O)(=O)c1ccccc1 ZINC000008870384 554765148 /nfs/dbraw/zinc/76/51/48/554765148.db2.gz KNODQYYSNWBBDQ-UHFFFAOYSA-N 0 0 473.510 4.040 50 0 JIAARN COc1cccc(CN=Nc2nc(Nc3ccc4ccccc4c3)nc(N3CCOCC3)n2)c1 ZINC000008872917 554769725 /nfs/dbraw/zinc/76/97/25/554769725.db2.gz KSRYDJCKSZZNDE-UHFFFAOYSA-N 0 0 455.522 4.060 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCCc1ccccc1 ZINC000008876312 554771649 /nfs/dbraw/zinc/77/16/49/554771649.db2.gz MQJIDHWFMDIVBJ-CQUDIQMESA-N 0 0 493.673 4.315 50 0 biogenic JIAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccc(C)cc1 ZINC000008876363 554771675 /nfs/dbraw/zinc/77/16/75/554771675.db2.gz NCPMCRIFFOPTDA-YYYOEXEQSA-N 0 0 479.646 4.191 50 0 biogenic JIAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000008879024 554774422 /nfs/dbraw/zinc/77/44/22/554774422.db2.gz IFWALWNFRCZRFU-JYFHCDHNSA-N 0 0 474.557 4.145 50 0 biogenic JIAARN CC[C@@H](C)c1ccc([C@H](NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)C(C)C)cc1 ZINC000008879286 554774776 /nfs/dbraw/zinc/77/47/76/554774776.db2.gz ZEZCAMCTVRCVPZ-IQGLISFBSA-N 0 0 473.639 4.340 50 0 JIAARN CC1(C)Cc2cccc(OCC(=O)OCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)c2O1 ZINC000008879841 554775471 /nfs/dbraw/zinc/77/54/71/554775471.db2.gz CGIFPWSXPMDBNL-UHFFFAOYSA-N 0 0 458.820 4.028 50 0 JIAARN O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2 ZINC000008880077 554775637 /nfs/dbraw/zinc/77/56/37/554775637.db2.gz HVFBNXKGKFAHEV-JOCHJYFZSA-N 0 0 485.334 4.290 50 0 JIAARN O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000008882139 554776852 /nfs/dbraw/zinc/77/68/52/554776852.db2.gz TWZAMLNYGLJYRI-RUZDIDTESA-N 0 0 469.582 4.332 50 0 JIAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000008883850 554778380 /nfs/dbraw/zinc/77/83/80/554778380.db2.gz UHYAZEZMZUYMMO-UHFFFAOYSA-N 0 0 499.351 4.222 50 0 JIAARN O=C1c2ccccc2S(=O)(=O)N1CCSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000008894643 554783981 /nfs/dbraw/zinc/78/39/81/554783981.db2.gz VRULDPRGFRZCLB-UHFFFAOYSA-N 0 0 480.546 4.010 50 0 JIAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccc(N4CCOCC4)cc3)nc2n1 ZINC000008900328 554792391 /nfs/dbraw/zinc/79/23/91/554792391.db2.gz VAIAQQBQFMETPU-UHFFFAOYSA-N 0 0 474.590 4.122 50 0 JIAARN C[C@H](Sc1nc(C2CCCCC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000008900423 554792531 /nfs/dbraw/zinc/79/25/31/554792531.db2.gz WNNDZECKNITCLP-INIZCTEOSA-N 0 0 485.635 4.082 50 0 JIAARN Cc1nc2ccc(S(=O)(=O)N[C@@H](C(=O)NC3CCC(C)CC3)c3ccccc3)cc2s1 ZINC000008912545 554802920 /nfs/dbraw/zinc/80/29/20/554802920.db2.gz KHHJKBWAWAGLHQ-IVMBPFOVSA-N 0 0 457.621 4.319 50 0 JIAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccc(C)cc2)s1 ZINC000008912494 554802934 /nfs/dbraw/zinc/80/29/34/554802934.db2.gz FQZPQVFHEWUEED-UHFFFAOYSA-N 0 0 464.634 4.389 50 0 JIAARN CCc1ccc2oc(C(=O)Nc3sc4c(c3C(=O)NCCCOC)CCCC4)cc(=O)c2c1 ZINC000008917621 554813052 /nfs/dbraw/zinc/81/30/52/554813052.db2.gz LIHKDNPZLHTYIP-UHFFFAOYSA-N 0 0 468.575 4.314 50 0 JIAARN CCOc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000008919123 554815959 /nfs/dbraw/zinc/81/59/59/554815959.db2.gz SNCOKENOOIAQOE-MHZLTWQESA-N 0 0 461.514 4.110 50 0 JIAARN Cc1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)o2)c(C)c1 ZINC000008922595 554819530 /nfs/dbraw/zinc/81/95/30/554819530.db2.gz XCVWDGRDLFIXOQ-UHFFFAOYSA-N 0 0 482.606 4.483 50 0 JIAARN Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)cc1 ZINC000008924924 554821543 /nfs/dbraw/zinc/82/15/43/554821543.db2.gz QMSQVLLDSBNTAK-UHFFFAOYSA-N 0 0 492.468 4.085 50 0 JIAARN Cc1ccc(C)c(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)c1 ZINC000008926354 554822772 /nfs/dbraw/zinc/82/27/72/554822772.db2.gz JCLFOSUZWSAVKB-UHFFFAOYSA-N 0 0 459.333 4.198 50 0 JIAARN Cc1ccc(CNC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4C)c3c2=O)cc1 ZINC000008933126 554826821 /nfs/dbraw/zinc/82/68/21/554826821.db2.gz NBCGNRRCRLOZSZ-UHFFFAOYSA-N 0 0 450.542 4.333 50 0 JIAARN Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCc4ccco4)c(=O)c32)c(C)c1 ZINC000008933273 554827070 /nfs/dbraw/zinc/82/70/70/554827070.db2.gz QNOBSCUSQPEPEP-UHFFFAOYSA-N 0 0 454.530 4.234 50 0 JIAARN C[C@]1(c2ccccc2Br)NC(=O)N(CC(=O)N[C@H](c2cccs2)c2ccccc2)C1=O ZINC000008941787 554832005 /nfs/dbraw/zinc/83/20/05/554832005.db2.gz VIDCJRDUQOLFDC-NZQKXSOJSA-N 0 0 498.402 4.183 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)c1 ZINC000008965856 554841284 /nfs/dbraw/zinc/84/12/84/554841284.db2.gz VZGKTMLQGYDSIF-UHFFFAOYSA-N 0 0 487.994 4.167 50 0 JIAARN CCn1c(-c2ccc3c(c2)OCCO3)cnc1S[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008966045 554841667 /nfs/dbraw/zinc/84/16/67/554841667.db2.gz LPUVHELLRLCFBR-GOSISDBHSA-N 0 0 494.617 4.297 50 0 JIAARN CCOc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1S(=O)(=O)N1CCCC1 ZINC000008966107 554841963 /nfs/dbraw/zinc/84/19/63/554841963.db2.gz UIAUKSJNKOUROF-UHFFFAOYSA-N 0 0 454.548 4.041 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCSc4ccccc43)cc2)cc1 ZINC000008966327 554842522 /nfs/dbraw/zinc/84/25/22/554842522.db2.gz CWFRWBAEBRGYJQ-UHFFFAOYSA-N 0 0 468.600 4.338 50 0 JIAARN COc1ccc(-c2cc(NC(=O)CN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)ccc2OC)cc1 ZINC000008987108 554849720 /nfs/dbraw/zinc/84/97/20/554849720.db2.gz BBFIIQAQGQPRMR-MUUNZHRXSA-N 0 0 487.556 4.253 50 0 JIAARN CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)CC1 ZINC000008988716 554851136 /nfs/dbraw/zinc/85/11/36/554851136.db2.gz HWFBCBQQTCDQSD-UHFFFAOYSA-N 0 0 478.018 4.106 50 0 JIAARN O=c1c2ccccc2nc(SCCOc2ccc(F)cc2)n1OCCOc1ccc(F)cc1 ZINC000009013782 554865224 /nfs/dbraw/zinc/86/52/24/554865224.db2.gz HJXKJYBCFYQYLX-UHFFFAOYSA-N 0 0 470.497 4.353 50 0 JIAARN Cn1c2nc(N3CCC(Cc4ccccc4)CC3)n(Cc3cccc4ccccc43)c2c(=O)[nH]c1=O ZINC000009015186 554865726 /nfs/dbraw/zinc/86/57/26/554865726.db2.gz IVQBXKQPAQWYFG-UHFFFAOYSA-N 0 0 479.584 4.084 50 0 JIAARN O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000009056662 554875477 /nfs/dbraw/zinc/87/54/77/554875477.db2.gz ODMZVXQKCBVROE-UHFFFAOYSA-N 0 0 491.642 4.487 50 0 JIAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nnc(Nc2ccccc2F)s1 ZINC000009058043 554877169 /nfs/dbraw/zinc/87/71/69/554877169.db2.gz LAPQYKFZZRFFOR-AWEZNQCLSA-N 0 0 459.572 4.273 50 0 JIAARN COc1ccccc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000009058667 554877408 /nfs/dbraw/zinc/87/74/08/554877408.db2.gz DBUXXLWNDUYMCQ-CZZAQMAHSA-N 0 0 455.551 4.230 50 0 biogenic JIAARN CCOc1ccc2nc(NC(=O)C3CCN(CC(=O)Nc4ccc(F)cc4)CC3)sc2c1 ZINC000009068222 554885943 /nfs/dbraw/zinc/88/59/43/554885943.db2.gz OOTHYUHJCJTDAF-UHFFFAOYSA-N 0 0 456.543 4.123 50 0 JIAARN C[C@@H](Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C(=O)N1CCc2ccccc21 ZINC000009083334 554888376 /nfs/dbraw/zinc/88/83/76/554888376.db2.gz UWZVUAXEFRWUEN-GOSISDBHSA-N 0 0 493.585 4.038 50 0 JIAARN CCn1cc(C2N=NC(=S)N2c2ccc(C)cc2Br)c(=O)c2ccc(C)nc21 ZINC000009087626 554889483 /nfs/dbraw/zinc/88/94/83/554889483.db2.gz APLAOLLDZZVNEY-UHFFFAOYSA-N 0 0 456.369 4.332 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000009090242 554891187 /nfs/dbraw/zinc/89/11/87/554891187.db2.gz WIURICQQHJAKHR-HDLCADABSA-N 0 0 486.593 4.114 50 0 JIAARN COc1cccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000009094706 554892227 /nfs/dbraw/zinc/89/22/27/554892227.db2.gz JLUAGAKCXJHMNE-IBGZPJMESA-N 0 0 464.301 4.049 50 0 JIAARN COc1ccc(-c2cc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)c3ccccc3n2)cc1OC ZINC000009113633 554900684 /nfs/dbraw/zinc/90/06/84/554900684.db2.gz ANNXISGZYAEVQU-UHFFFAOYSA-N 0 0 488.588 4.283 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3Oc3ccccc3)CC2)cc1 ZINC000009114326 554901235 /nfs/dbraw/zinc/90/12/35/554901235.db2.gz HPOVQEAQENCOPO-UHFFFAOYSA-N 0 0 450.560 4.370 50 0 JIAARN Cc1ccc(-n2ccnc2SCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1C ZINC000009114976 554901636 /nfs/dbraw/zinc/90/16/36/554901636.db2.gz LFABQDABCCAUMF-UHFFFAOYSA-N 0 0 492.601 4.187 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3ccc(NC(=O)C4=C(C)OCCS4)cc3)CC2)c1C ZINC000009115232 554901910 /nfs/dbraw/zinc/90/19/10/554901910.db2.gz LYLDNMGLPHLENT-UHFFFAOYSA-N 0 0 451.592 4.199 50 0 JIAARN COc1ccc(OC)c(CCNC(=O)c2ccc(C[S@](=O)c3ccc(Br)cc3)o2)c1 ZINC000009115613 554902623 /nfs/dbraw/zinc/90/26/23/554902623.db2.gz NTFXTWLJUZIZNC-SSEXGKCCSA-N 0 0 492.391 4.340 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(Cc2ccco2)c1=O ZINC000009116520 554904656 /nfs/dbraw/zinc/90/46/56/554904656.db2.gz PRWHMCDYMIPUBA-UHFFFAOYSA-N 0 0 463.877 4.151 50 0 JIAARN COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)Nc5ccc(F)cc5)C4)sc3n2)cc1 ZINC000009117427 554906802 /nfs/dbraw/zinc/90/68/02/554906802.db2.gz CWCNNHQCWRTBMC-INIZCTEOSA-N 0 0 451.527 4.461 50 0 JIAARN COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCc5ccccc5F)C4)sc3n2)cc1 ZINC000009117473 554907013 /nfs/dbraw/zinc/90/70/13/554907013.db2.gz YZSLCWPDAGJBBZ-GOSISDBHSA-N 0 0 465.554 4.138 50 0 JIAARN O=C(NCc1cccc(F)c1)[C@H]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1 ZINC000009117612 554907289 /nfs/dbraw/zinc/90/72/89/554907289.db2.gz OOWSTASJPVOGNV-KRWDZBQOSA-N 0 0 453.518 4.269 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc2ccccc2c1 ZINC000009119814 554911530 /nfs/dbraw/zinc/91/15/30/554911530.db2.gz LJVMAMUDJKUOKB-UHFFFAOYSA-N 0 0 468.575 4.431 50 0 JIAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c1 ZINC000009120262 554912757 /nfs/dbraw/zinc/91/27/57/554912757.db2.gz KDMLCXSUVZZAAK-QGZVFWFLSA-N 0 0 474.538 4.348 50 0 JIAARN CS(=O)(=O)Nc1cccc(C(=O)OCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)c1 ZINC000009120740 554914200 /nfs/dbraw/zinc/91/42/00/554914200.db2.gz CUGBANDEROICKX-QHCPKHFHSA-N 0 0 457.479 4.162 50 0 JIAARN COc1ccc(-n2c(SCC(=O)c3ccccc3OC)nc3ccccc3c2=O)cc1OC ZINC000009125243 554917391 /nfs/dbraw/zinc/91/73/91/554917391.db2.gz AJDYCBURSVSXPR-UHFFFAOYSA-N 0 0 462.527 4.387 50 0 JIAARN COc1ccc(NC(=O)c2ccc(NC(=O)CN(C)Cc3ccc(OC)c(OC)c3)cc2)cc1 ZINC000009126098 554919265 /nfs/dbraw/zinc/91/92/65/554919265.db2.gz YIWWQPXBERQGJQ-UHFFFAOYSA-N 0 0 463.534 4.035 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccc(Cl)cc4)o3)CC2)c(C)c1 ZINC000009126068 554919291 /nfs/dbraw/zinc/91/92/91/554919291.db2.gz AVDIGGHGIGFIJM-UHFFFAOYSA-N 0 0 488.997 4.355 50 0 JIAARN COc1ccccc1-n1c(SCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)nnc1-c1cccs1 ZINC000009126962 554921498 /nfs/dbraw/zinc/92/14/98/554921498.db2.gz FGKZHRCZRILUDT-IBGZPJMESA-N 0 0 492.626 4.413 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)N1CCN(c2ccccc2)CC1 ZINC000009128105 554924336 /nfs/dbraw/zinc/92/43/36/554924336.db2.gz XTAGFWDRUPSUQZ-UHFFFAOYSA-N 0 0 488.588 4.025 50 0 JIAARN CN(C)c1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2c[nH]c3ccccc32)cc1 ZINC000009128911 554926279 /nfs/dbraw/zinc/92/62/79/554926279.db2.gz JGUCUSGHJWDWAV-DEOSSOPVSA-N 0 0 490.629 4.046 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1)CC2 ZINC000009135079 554932105 /nfs/dbraw/zinc/93/21/05/554932105.db2.gz IJHKQDQTWLFOCC-LSYYVWMOSA-N 0 0 499.611 4.251 50 0 JIAARN Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)C)cc3)c(N)n2)cc1 ZINC000009152105 554939800 /nfs/dbraw/zinc/93/98/00/554939800.db2.gz KCDREXXKZBATHO-UHFFFAOYSA-N 0 0 456.593 4.054 50 0 JIAARN Cc1cccc(N2CCN(c3nc4c(S(=O)(=O)c5ccccc5)nnn4c4ccccc43)CC2)c1C ZINC000009152476 554940504 /nfs/dbraw/zinc/94/05/04/554940504.db2.gz FBRLGUITZLCOQV-UHFFFAOYSA-N 0 0 498.612 4.054 50 0 JIAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3)c(=O)n1CC(=O)Nc1cc(C)cc(C)c1)n2C ZINC000009153652 554943691 /nfs/dbraw/zinc/94/36/91/554943691.db2.gz RNAFMWMQUDNKDZ-UHFFFAOYSA-N 0 0 466.541 4.208 50 0 JIAARN COc1ccc(CN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)C2CC2)cc1 ZINC000009155018 554944885 /nfs/dbraw/zinc/94/48/85/554944885.db2.gz PORFWIKTRGMNRS-UHFFFAOYSA-N 0 0 480.586 4.334 50 0 JIAARN CCOc1ccc(NC(=O)COc2cccc3ccccc32)cc1S(=O)(=O)N1CCCC1 ZINC000009156437 554946184 /nfs/dbraw/zinc/94/61/84/554946184.db2.gz ACKCFDIMBGDTPJ-UHFFFAOYSA-N 0 0 454.548 4.041 50 0 JIAARN COc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc(NC(=O)COc4ccccc4)nn32)cc1 ZINC000009158104 554947607 /nfs/dbraw/zinc/94/76/07/554947607.db2.gz MADVODVKRNUPFX-DHIUTWEWSA-N 0 0 455.518 4.451 50 0 JIAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000009167687 554951803 /nfs/dbraw/zinc/95/18/03/554951803.db2.gz RWHKXYDLOHYUHI-MHZLTWQESA-N 0 0 456.498 4.165 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)cc1OC 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CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(OC)cc1OC ZINC000011119288 555760798 /nfs/dbraw/zinc/76/07/98/555760798.db2.gz YIDXDJBGWXMFBT-UHFFFAOYSA-N 0 0 452.532 4.081 50 0 JIAARN COC(=O)c1ccc(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000011120562 555760993 /nfs/dbraw/zinc/76/09/93/555760993.db2.gz KLFKRLMSEVVKBC-UHFFFAOYSA-N 0 0 464.543 4.411 50 0 JIAARN C[C@@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N(c1nccs1)C1CCCCC1 ZINC000011128030 555762141 /nfs/dbraw/zinc/76/21/41/555762141.db2.gz DUTPRGSRGNTMTH-CQSZACIVSA-N 0 0 477.970 4.392 50 0 JIAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 ZINC000020294368 555762912 /nfs/dbraw/zinc/76/29/12/555762912.db2.gz IZOMNFGROJSTJP-UHFFFAOYSA-N 0 0 478.480 4.226 50 0 JIAARN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)OCc2csc(-c3ccccn3)n2)c1 ZINC000011218168 555767568 /nfs/dbraw/zinc/76/75/68/555767568.db2.gz AKDQQXJJYPXEIU-INIZCTEOSA-N 0 0 457.577 4.125 50 0 JIAARN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000011218443 555767589 /nfs/dbraw/zinc/76/75/89/555767589.db2.gz ZWBXVPSIWDGUQJ-UHFFFAOYSA-N 0 0 474.531 4.316 50 0 JIAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1/C(Cl)=C/c1ccc(OC)c(C)c1 ZINC000011332513 555773536 /nfs/dbraw/zinc/77/35/36/555773536.db2.gz VFGWGIHNRRYLKG-RGEXLXHISA-N 0 0 475.998 4.131 50 0 JIAARN CC(C)N(Cc1ccccc1)C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 ZINC000011363683 555775145 /nfs/dbraw/zinc/77/51/45/555775145.db2.gz QDZBVABUXMOQNR-HXUWFJFHSA-N 0 0 451.592 4.105 50 0 JIAARN CC(C)N(Cc1ccccc1)C(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 ZINC000011363682 555775245 /nfs/dbraw/zinc/77/52/45/555775245.db2.gz QDZBVABUXMOQNR-FQEVSTJZSA-N 0 0 451.592 4.105 50 0 JIAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O)c1ccccc1 ZINC000011378735 555776179 /nfs/dbraw/zinc/77/61/79/555776179.db2.gz GJLAPLSEVMTZTL-LJQANCHMSA-N 0 0 476.577 4.151 50 0 JIAARN Cc1ccc(CNC(=O)Cn2c3c4ccccc4sc3c(=O)n(CCc3ccccc3)c2=O)cc1 ZINC000020354852 555782098 /nfs/dbraw/zinc/78/20/98/555782098.db2.gz 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O=C(Cc1nc2ccccc2n1C[C@@H](O)COc1ccc(Br)cc1)NCc1ccccc1 ZINC000014290345 555791667 /nfs/dbraw/zinc/79/16/67/555791667.db2.gz SEZRRJLBMYAPDZ-HXUWFJFHSA-N 0 0 494.389 4.098 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)cc1 ZINC000011617350 555792474 /nfs/dbraw/zinc/79/24/74/555792474.db2.gz CLVCQAQBWPFNDK-UHFFFAOYSA-N 0 0 472.411 4.137 50 0 JIAARN Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N(C)c3ccccc3)cc1)n2C ZINC000011634199 555793525 /nfs/dbraw/zinc/79/35/25/555793525.db2.gz DCRRJJRJVMUNMM-WCWDXBQESA-N 0 0 451.573 4.114 50 0 JIAARN CCN(CC)C(=O)Cn1cc(SCC(=O)Nc2cccc(NC(C)=O)c2)c2ccccc21 ZINC000020530029 555795941 /nfs/dbraw/zinc/79/59/41/555795941.db2.gz IOUQVHLNRFKQNN-UHFFFAOYSA-N 0 0 452.580 4.199 50 0 JIAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)cc2)o1 ZINC000014372610 555800605 /nfs/dbraw/zinc/80/06/05/555800605.db2.gz XTZZDCXUQAVLTD-UHFFFAOYSA-N 0 0 457.515 4.282 50 0 JIAARN COc1ccccc1CC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 ZINC000014389503 555801592 /nfs/dbraw/zinc/80/15/92/555801592.db2.gz MJYFULJFZCHJQX-UHFFFAOYSA-N 0 0 450.560 4.386 50 0 JIAARN COc1ccc(CCNC(=O)Cn2c(SCc3ccccc3F)nc3cccnc32)cc1OC ZINC000020532422 555802339 /nfs/dbraw/zinc/80/23/39/555802339.db2.gz AYMWIWWSNRKYJF-UHFFFAOYSA-N 0 0 480.565 4.239 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)N[C@@H](C)c3ccccc3)c12 ZINC000011696122 555803326 /nfs/dbraw/zinc/80/33/26/555803326.db2.gz KUVQZXMKOYPQRD-UWJYYQICSA-N 0 0 474.586 4.257 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)N[C@@H](C)c3ccccc3)c12 ZINC000011696230 555804156 /nfs/dbraw/zinc/80/41/56/555804156.db2.gz BOOXXUQFMQJTBT-YJBOKZPZSA-N 0 0 480.615 4.319 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)NCCCc3ccccc3)c12 ZINC000011696238 555804161 /nfs/dbraw/zinc/80/41/61/555804161.db2.gz JBJPNWQCYGOXDD-IBGZPJMESA-N 0 0 494.642 4.190 50 0 JIAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COC(=O)c2cccc(C)c2O)cc1OC ZINC000011712526 555805250 /nfs/dbraw/zinc/80/52/50/555805250.db2.gz BIHAFOLCTQXPIY-IBGZPJMESA-N 0 0 480.542 4.314 50 0 JIAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719922 555805754 /nfs/dbraw/zinc/80/57/54/555805754.db2.gz DXZKZSAKKUGNDL-LBPRGKRZSA-N 0 0 495.976 4.190 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)S[C@@H](C)C3)cc1 ZINC000011726569 555807091 /nfs/dbraw/zinc/80/70/91/555807091.db2.gz AQXLTWDJFOWULW-INIZCTEOSA-N 0 0 495.626 4.236 50 0 JIAARN COc1cccc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)S[C@H](C)C3)c1 ZINC000011726632 555807542 /nfs/dbraw/zinc/80/75/42/555807542.db2.gz BPRXRLJZOHCBJD-OAHLLOKOSA-N 0 0 453.589 4.068 50 0 JIAARN COc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc(Cl)c1OCC(N)=O ZINC000011742684 555808017 /nfs/dbraw/zinc/80/80/17/555808017.db2.gz IAUDGLQNLKHSOJ-UHFFFAOYSA-N 0 0 494.400 4.496 50 0 JIAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751153 555808479 /nfs/dbraw/zinc/80/84/79/555808479.db2.gz YIQZWZBISLZCMJ-CQSZACIVSA-N 0 0 477.995 4.211 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2c(F)cccc2Cl)cc1 ZINC000011757709 555808792 /nfs/dbraw/zinc/80/87/92/555808792.db2.gz MPMWMZCXXVRXBK-UHFFFAOYSA-N 0 0 484.018 4.255 50 0 JIAARN CCCn1c2ccccc2c2cnn(CC(=O)Nc3nc4ccc(OCC)cc4s3)c(=O)c21 ZINC000020557144 555809072 /nfs/dbraw/zinc/80/90/72/555809072.db2.gz NMQMYKPIMXGYOK-UHFFFAOYSA-N 0 0 461.547 4.408 50 0 JIAARN COc1cc([C@H](CC(=O)NC2CCCCC2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561448 555812139 /nfs/dbraw/zinc/81/21/39/555812139.db2.gz GOWLQFUJRUYNCA-NRFANRHFSA-N 0 0 452.551 4.249 50 0 JIAARN COc1cc([C@H](CC(=O)Nc2nc(C)cs2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561402 555812187 /nfs/dbraw/zinc/81/21/87/555812187.db2.gz STOZBSVDJISXRI-SFHVURJKSA-N 0 0 467.547 4.203 50 0 JIAARN CCc1cc2c(nc(SCC(=O)N(C)Cc3ccc(C)cc3)n(CCCOC)c2=O)s1 ZINC000011774670 555812386 /nfs/dbraw/zinc/81/23/86/555812386.db2.gz XMTFXMVHUAVYNA-UHFFFAOYSA-N 0 0 459.637 4.116 50 0 JIAARN COc1cc([C@H](CC(=O)N2CCCCCC2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561513 555812418 /nfs/dbraw/zinc/81/24/18/555812418.db2.gz KJJVNHVHIBTOQK-NRFANRHFSA-N 0 0 452.551 4.202 50 0 JIAARN C[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000011775278 555812510 /nfs/dbraw/zinc/81/25/10/555812510.db2.gz QSFKFVYCBRULLS-NSDYXAQKSA-N 0 0 476.547 4.081 50 0 JIAARN C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3cccc(F)c3)C4=O)C2)C1 ZINC000011782562 555813036 /nfs/dbraw/zinc/81/30/36/555813036.db2.gz RGWNCGLFZNZZED-UYAOXDASSA-N 0 0 463.553 4.097 50 0 JIAARN Cc1c(C(=O)N2CCCC[C@@H]2CCO)sc2ncnc(N(C)CCOc3ccc(C)cc3)c12 ZINC000011782426 555813096 /nfs/dbraw/zinc/81/30/96/555813096.db2.gz AABOSYBYCBQJDV-LJQANCHMSA-N 0 0 468.623 4.200 50 0 JIAARN CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)N[C@@H](C)c3nc(C)cs3)c21 ZINC000011782902 555813755 /nfs/dbraw/zinc/81/37/55/555813755.db2.gz HSRJZWMQVOWSHR-HNNXBMFYSA-N 0 0 483.619 4.421 50 0 JIAARN CC[C@@H](C(=O)NCc1ccc(SC)cc1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563467 555815434 /nfs/dbraw/zinc/81/54/34/555815434.db2.gz QGJSMYADKHVEOW-NRFANRHFSA-N 0 0 461.591 4.188 50 0 JIAARN CC[C@@H](C(=O)NCCc1ccc(SC)cc1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563448 555815448 /nfs/dbraw/zinc/81/54/48/555815448.db2.gz UGTAAPRKXTYHPJ-QFIPXVFZSA-N 0 0 475.618 4.231 50 0 JIAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1nc2c(ccc3ccccc23)s1 ZINC000014505589 555815468 /nfs/dbraw/zinc/81/54/68/555815468.db2.gz JENVRGAGBNNJLG-UHFFFAOYSA-N 0 0 454.529 4.023 50 0 JIAARN CC[C@@H](C(=O)NCc1ccc(OC(C)C)cc1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563456 555815465 /nfs/dbraw/zinc/81/54/65/555815465.db2.gz QFNZXMTZHKRMFH-QHCPKHFHSA-N 0 0 473.577 4.254 50 0 JIAARN CC[C@@H](C(=O)Nc1cc(OC)cc(OC)c1)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563737 555815747 /nfs/dbraw/zinc/81/57/47/555815747.db2.gz MMMKAGFXOLLENK-QFIPXVFZSA-N 0 0 475.549 4.114 50 0 JIAARN CSc1ccc(CCNC(=O)CCCn2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)cc1 ZINC000020563878 555816026 /nfs/dbraw/zinc/81/60/26/555816026.db2.gz QRAKPNFTOACSOZ-UHFFFAOYSA-N 0 0 489.645 4.368 50 0 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/nfs/dbraw/zinc/90/50/36/555905036.db2.gz DLRARTPBGUDRBC-RPWUZVMVSA-N 0 0 489.597 4.019 50 0 JIAARN COc1ccc(CN2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N(C)Cc2nonc2C)cc1C ZINC000012128055 555910578 /nfs/dbraw/zinc/91/05/78/555910578.db2.gz JKOLQROKOCINEE-GGAORHGYSA-N 0 0 484.597 4.228 50 0 JIAARN O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000015512707 555912110 /nfs/dbraw/zinc/91/21/10/555912110.db2.gz SWDBPWZPCOQIRB-HTAPYJJXSA-N 0 0 488.656 4.055 50 0 JIAARN O=C(NCc1ccc(F)cc1)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 ZINC000012133335 555912347 /nfs/dbraw/zinc/91/23/47/555912347.db2.gz MASQCLOZUBMEFR-UHFFFAOYSA-N 0 0 457.465 4.005 50 0 JIAARN CN(Cc1nc2ccccc2s1)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000015517362 555912777 /nfs/dbraw/zinc/91/27/77/555912777.db2.gz VXQAIOCMUMJLHT-AREMUKBSSA-N 0 0 456.571 4.376 50 0 JIAARN Cc1cc(NC(=O)[C@H](C)Sc2nnc(CN3CCCCC3)n2-c2ccc(Cl)cc2)no1 ZINC000012136468 555913707 /nfs/dbraw/zinc/91/37/07/555913707.db2.gz VZYRXAFWKVTFRL-HNNXBMFYSA-N 0 0 460.991 4.322 50 0 JIAARN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000012137532 555914978 /nfs/dbraw/zinc/91/49/78/555914978.db2.gz JEQRAMYMOJCHNW-XMMPIXPASA-N 0 0 452.576 4.312 50 0 JIAARN COc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000015578019 555916363 /nfs/dbraw/zinc/91/63/63/555916363.db2.gz RBLZHQJCKMOYOM-OAQYLSRUSA-N 0 0 496.551 4.478 50 0 JIAARN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000015607785 555918394 /nfs/dbraw/zinc/91/83/94/555918394.db2.gz VXQDHTGFPBVCOZ-JOCHJYFZSA-N 0 0 478.998 4.244 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2cccc(OC)c2)SCC3)cc1 ZINC000012140639 555918760 /nfs/dbraw/zinc/91/87/60/555918760.db2.gz OVMCABOUIIAVNQ-UHFFFAOYSA-N 0 0 469.588 4.019 50 0 JIAARN CC(=O)NCc1ccc(-c2csc(NC(=O)C[C@@H]3c4ccccc4C=CN3C(C)=O)n2)cc1 ZINC000015611959 555918841 /nfs/dbraw/zinc/91/88/41/555918841.db2.gz IADSWNVVOBNVMW-HSZRJFAPSA-N 0 0 460.559 4.349 50 0 JIAARN CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3nc(-c4ccsc4)no3)n2)s1 ZINC000015612395 555918867 /nfs/dbraw/zinc/91/88/67/555918867.db2.gz HAOVXRWPNQUAQC-UHFFFAOYSA-N 0 0 459.578 4.191 50 0 JIAARN O=C(N[C@H](NCc1ccccc1)C(Br)(Br)Br)c1ccccc1 ZINC000015636946 555921090 /nfs/dbraw/zinc/92/10/90/555921090.db2.gz JDFPCWDYZRTUTD-HNNXBMFYSA-N 0 0 491.021 4.371 50 0 JIAARN COCc1c(C(=O)NCc2cnc3ccccc3c2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000012149623 555921981 /nfs/dbraw/zinc/92/19/81/555921981.db2.gz LSADJGVCNNFLCS-UHFFFAOYSA-N 0 0 490.567 4.443 50 0 JIAARN C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000015652017 555921996 /nfs/dbraw/zinc/92/19/96/555921996.db2.gz CZOJNQIGUWZKCC-NSHDSACASA-N 0 0 456.014 4.319 50 0 JIAARN CCC(CC)C(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C(F)(F)F)cc3)co2)CC1 ZINC000022328790 555922301 /nfs/dbraw/zinc/92/23/01/555922301.db2.gz GZEHDWWAYYMJQP-UHFFFAOYSA-N 0 0 466.500 4.318 50 0 JIAARN COC(=O)c1ccc(N2C(=O)C[C@H](N(Cc3ccccc3)C(=S)Nc3ccc(F)cc3)C2=O)cc1 ZINC000015660023 555922990 /nfs/dbraw/zinc/92/29/90/555922990.db2.gz AEBTWGVYMIIKOR-QFIPXVFZSA-N 0 0 491.544 4.143 50 0 JIAARN C[C@@H](NC(=O)CSc1nc(CN2CCOCC2)nc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000022358285 555925192 /nfs/dbraw/zinc/92/51/92/555925192.db2.gz YZDYYZVIEYYCQI-LJQANCHMSA-N 0 0 476.646 4.310 50 0 JIAARN O=C(C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCCC[C@@H]1c1cccnc1 ZINC000012152163 555925637 /nfs/dbraw/zinc/92/56/37/555925637.db2.gz ZWBCIDCOJAELDP-PXDATVDWSA-N 0 0 485.506 4.403 50 0 JIAARN COc1ccc(Br)c([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c1 ZINC000015670345 555925696 /nfs/dbraw/zinc/92/56/96/555925696.db2.gz KBMCHIKPDFHRGF-QGZVFWFLSA-N 0 0 491.349 4.278 50 0 JIAARN O=C(C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCCC[C@@H]1c1cccnc1 ZINC000012152164 555925750 /nfs/dbraw/zinc/92/57/50/555925750.db2.gz ZWBCIDCOJAELDP-BWKNWUBXSA-N 0 0 485.506 4.403 50 0 JIAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(SC)cc3)n2)c1 ZINC000015670507 555926527 /nfs/dbraw/zinc/92/65/27/555926527.db2.gz NGKRQVCFGYKEDL-IBGZPJMESA-N 0 0 458.547 4.237 50 0 JIAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)cc1 ZINC000015670598 555926853 /nfs/dbraw/zinc/92/68/53/555926853.db2.gz KBVDJOOOVVQMGJ-FQEVSTJZSA-N 0 0 458.497 4.435 50 0 JIAARN C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000022376868 555927809 /nfs/dbraw/zinc/92/78/09/555927809.db2.gz MWEKKYWNANISQO-FZKQIMNGSA-N 0 0 471.804 4.133 50 0 JIAARN CN(C)c1ccc([C@@H]2Oc3ccccc3-n3c(-c4ccc(F)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000015671540 555929017 /nfs/dbraw/zinc/92/90/17/555929017.db2.gz RBVGZLHXWCDKHH-MHZLTWQESA-N 0 0 496.542 4.382 50 0 JIAARN COCc1c(C(=O)NCc2cc(-c3ccccc3)on2)cnn1-c1nccc(-c2cccs2)n1 ZINC000012161023 555930851 /nfs/dbraw/zinc/93/08/51/555930851.db2.gz FQEOTIFASOBJNZ-UHFFFAOYSA-N 0 0 472.530 4.122 50 0 JIAARN O=C(NCc1ccccc1F)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 ZINC000012190198 555937193 /nfs/dbraw/zinc/93/71/93/555937193.db2.gz OFYIDRGCJNSWRB-UHFFFAOYSA-N 0 0 457.465 4.005 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCCCC1)N(C[C@H]1CCCO1)C3=O ZINC000015677075 555941264 /nfs/dbraw/zinc/94/12/64/555941264.db2.gz WCXDHXHXAQJZMS-AMGIVPHBSA-N 0 0 467.610 4.273 50 0 JIAARN COc1ccc2[nH]cc(CCNC(=O)c3ccccc3NC(=O)C3=C(C)OCCS3)c2c1 ZINC000015678171 555942799 /nfs/dbraw/zinc/94/27/99/555942799.db2.gz HDNRNCBGYRAOTP-UHFFFAOYSA-N 0 0 451.548 4.082 50 0 biogenic JIAARN Cc1ccccc1[C@@]1(CC(=O)N(C)CCc2ccccc2)CC(=O)N(Cc2ccccc2)C1=O ZINC000012211805 555943421 /nfs/dbraw/zinc/94/34/21/555943421.db2.gz LNLNHVHUFHZPLE-GDLZYMKVSA-N 0 0 454.570 4.283 50 0 JIAARN O=C(Nc1cccc(F)c1)[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 ZINC000015681610 555950944 /nfs/dbraw/zinc/95/09/44/555950944.db2.gz QIVCXOFESURIEH-GOSISDBHSA-N 0 0 475.499 4.432 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000015695452 555952142 /nfs/dbraw/zinc/95/21/42/555952142.db2.gz JDCONZFULCRXFB-INIZCTEOSA-N 0 0 494.997 4.016 50 0 JIAARN COc1cc([C@@H]2CC(=O)Nc3c2c(=O)nc2[nH]c4ccccc4n23)ccc1OCCc1ccccc1 ZINC000012322402 555952474 /nfs/dbraw/zinc/95/24/74/555952474.db2.gz OOSJYWGMBFSYIK-IBGZPJMESA-N 0 0 480.524 4.280 50 0 JIAARN Cc1cccc(NC(=O)CN2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c1C ZINC000022835797 555956173 /nfs/dbraw/zinc/95/61/73/555956173.db2.gz QMLURJOCMZIQTD-UHFFFAOYSA-N 0 0 473.499 4.129 50 0 JIAARN O=C1CCCN1Cc1ccc(-c2ccccc2CNS(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000022845206 555956651 /nfs/dbraw/zinc/95/66/51/555956651.db2.gz JQFZSGLNLATRHH-UHFFFAOYSA-N 0 0 456.514 4.233 50 0 JIAARN COc1cc([C@H]2c3cccn3CCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000012361851 555958365 /nfs/dbraw/zinc/95/83/65/555958365.db2.gz OVTXVOBWMYZRTL-NRFANRHFSA-N 0 0 496.507 4.327 50 0 JIAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCCC1)N(c1ccccc1CC)C2=O ZINC000015723978 555959222 /nfs/dbraw/zinc/95/92/22/555959222.db2.gz KDYBQCGNHMHTDH-MHZLTWQESA-N 0 0 480.609 4.270 50 0 JIAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCCC1)N(c1cccc(C)c1C)C2=O ZINC000015723974 555959276 /nfs/dbraw/zinc/95/92/76/555959276.db2.gz VWOQIAZARCYAOD-MHZLTWQESA-N 0 0 480.609 4.325 50 0 JIAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCCC1)N(c1ccc(C)cc1C)C2=O ZINC000015724027 555959590 /nfs/dbraw/zinc/95/95/90/555959590.db2.gz FNEDTCUVWUTYPZ-HHHXNRCGSA-N 0 0 480.609 4.325 50 0 JIAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCCC1)N(c1ccc(C)cc1)C2=O ZINC000015724087 555959813 /nfs/dbraw/zinc/95/98/13/555959813.db2.gz QMRJLQUNGJHUTP-AREMUKBSSA-N 0 0 466.582 4.016 50 0 JIAARN O=C(CCc1ccccc1)NC(NC(=O)NCCc1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000012376255 555963410 /nfs/dbraw/zinc/96/34/10/555963410.db2.gz OICLPBRVIWPIJE-UHFFFAOYSA-N 0 0 461.406 4.098 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000012378023 555966871 /nfs/dbraw/zinc/96/68/71/555966871.db2.gz SRYQFRWLLITXMF-XOYGFPHKSA-N 0 0 464.562 4.061 50 0 JIAARN Cc1ccc(Nc2nn(CN3CCCN(CC(=O)NC(C)(C)C)CC3)c(=S)s2)cc1Cl ZINC000022912092 555967620 /nfs/dbraw/zinc/96/76/20/555967620.db2.gz GUCVWIWCGNFCBD-UHFFFAOYSA-N 0 0 483.107 4.259 50 0 JIAARN C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000012381077 555969676 /nfs/dbraw/zinc/96/96/76/555969676.db2.gz KLAUTQVJORACER-QIVAEQKXSA-N 0 0 499.950 4.347 50 0 JIAARN COc1ccc(CN2CCN(Cc3nc4scc(-c5ccc(F)cc5)c4c(=O)[nH]3)CC2)cc1OC ZINC000022915425 555969713 /nfs/dbraw/zinc/96/97/13/555969713.db2.gz FFUWPSLLHNYGFE-UHFFFAOYSA-N 0 0 494.592 4.126 50 0 JIAARN COc1ccc(CN2CCN(Cc3nc(=O)c4c(-c5ccccc5)csc4[nH]3)CC2)cc1F ZINC000022916386 555970236 /nfs/dbraw/zinc/97/02/36/555970236.db2.gz MVEBPCHOBKIOQZ-UHFFFAOYSA-N 0 0 464.566 4.117 50 0 JIAARN C[C@@H](NC(=O)c1ccc(F)cc1)c1nnc(SCC(=O)c2ccc(Br)cc2)n1C ZINC000012384005 555972571 /nfs/dbraw/zinc/97/25/71/555972571.db2.gz RAOSRQPTPQPCDL-GFCCVEGCSA-N 0 0 477.359 4.183 50 0 JIAARN C[C@H](NC(=O)c1ccc(F)cc1)c1nnc(SCC(=O)c2ccc(Br)cc2)n1C 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COC(=O)c1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccc(Br)cc2)c1 ZINC000015768344 555986787 /nfs/dbraw/zinc/98/67/87/555986787.db2.gz WQMBBNRCMMNXPJ-CPNJWEJPSA-N 0 0 469.291 4.238 50 0 JIAARN CC(C)c1nn2c(nc(COC(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)cc2=O)s1 ZINC000015771480 555989608 /nfs/dbraw/zinc/98/96/08/555989608.db2.gz TVXGOIFYDPMDPL-UHFFFAOYSA-N 0 0 466.494 4.023 50 0 JIAARN CCCCc1nn2c(nc(COC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)cc2=O)s1 ZINC000015771886 555991055 /nfs/dbraw/zinc/99/10/55/555991055.db2.gz BIDYNHNTXKNJRQ-UHFFFAOYSA-N 0 0 476.558 4.411 50 0 JIAARN CCCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3cccc(C)c3)cc2=O)s1 ZINC000015772477 555991649 /nfs/dbraw/zinc/99/16/49/555991649.db2.gz KHMFRLIYNYLJES-UHFFFAOYSA-N 0 0 462.531 4.021 50 0 JIAARN CCCc1nn2c(nc(COC(=O)c3cccc(NC(=O)c4cccc(Cl)c4)c3)cc2=O)s1 ZINC000015772446 555991655 /nfs/dbraw/zinc/99/16/55/555991655.db2.gz WROSGZCDNJNQBE-UHFFFAOYSA-N 0 0 482.949 4.366 50 0 JIAARN Cc1ccc([C@@H](CNC(=O)c2oc3cc(Br)ccc3c2C)N2CCN(C)CC2)o1 ZINC000022938426 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CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 ZINC000015945225 556081273 /nfs/dbraw/zinc/08/12/73/556081273.db2.gz BGKXUZFOSHPBII-NRFANRHFSA-N 0 0 477.542 4.336 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc3ncsc3c2)c1 ZINC000023659854 556082673 /nfs/dbraw/zinc/08/26/73/556082673.db2.gz ZIQTUMFMHHLVEK-UHFFFAOYSA-N 0 0 458.609 4.179 50 0 JIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2ccccc2)cc1 ZINC000012628402 556092947 /nfs/dbraw/zinc/09/29/47/556092947.db2.gz BOCBBTUYBJPUMU-DEOSSOPVSA-N 0 0 489.597 4.277 50 0 JIAARN CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1 ZINC000015978630 556098594 /nfs/dbraw/zinc/09/85/94/556098594.db2.gz WDHMCEHEOJNWAS-QRVBRYPASA-N 0 0 472.607 4.100 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1cc(=O)n3c(C)csc3n1)CC2 ZINC000023882981 556098907 /nfs/dbraw/zinc/09/89/07/556098907.db2.gz HPCCAPGDNVGJQX-QFIPXVFZSA-N 0 0 453.589 4.291 50 0 JIAARN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@@H]3CC=C4C=C(OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012657607 556099402 /nfs/dbraw/zinc/09/94/02/556099402.db2.gz ZRZMJLCBJYFXJX-UBSPVUBISA-N 0 0 472.578 4.440 50 0 biogenic JIAARN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000023920898 556101465 /nfs/dbraw/zinc/10/14/65/556101465.db2.gz CTAIYKBROQLLPX-LJQANCHMSA-N 0 0 477.634 4.446 50 0 JIAARN O=C(CCCSc1nc2ccccc2[nH]1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023955587 556103693 /nfs/dbraw/zinc/10/36/93/556103693.db2.gz NBSFEMRVCLFKCF-UHFFFAOYSA-N 0 0 451.621 4.389 50 0 JIAARN CC(=O)[C@@H]1[C@H](C(=O)c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N21 ZINC000016007005 556107535 /nfs/dbraw/zinc/10/75/35/556107535.db2.gz MGFLACISZZXVIX-NZCWTCFWSA-N 0 0 458.514 4.449 50 0 JIAARN O=c1c2c(-c3cccs3)csc2nc(CN2CCOCC2)n1CCCOc1ccccc1 ZINC000023968110 556108127 /nfs/dbraw/zinc/10/81/27/556108127.db2.gz TVIBMZMPVYYKIV-UHFFFAOYSA-N 0 0 467.616 4.488 50 0 JIAARN CCN1CCc2nc3ccccc3c(C(=O)Nc3cc4c(cc3Br)OCCO4)c2C1 ZINC000016009094 556108316 /nfs/dbraw/zinc/10/83/16/556108316.db2.gz NCUJKTZUSLGJCQ-UHFFFAOYSA-N 0 0 468.351 4.399 50 0 JIAARN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](c2ccccc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000016009832 556108623 /nfs/dbraw/zinc/10/86/23/556108623.db2.gz ULEDRDXPEYODTR-GGHZGINBSA-N 0 0 488.540 4.373 50 0 JIAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000012758950 556108655 /nfs/dbraw/zinc/10/86/55/556108655.db2.gz GCCNUWODZGWCDO-UHFFFAOYSA-N 0 0 476.558 4.051 50 0 JIAARN O=C(c1nccnc1-c1nc2ccccc2s1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000023983816 556112203 /nfs/dbraw/zinc/11/22/03/556112203.db2.gz UPRQMKNATJSQML-UHFFFAOYSA-N 0 0 455.996 4.426 50 0 JIAARN CN(C)C(=O)c1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000023996108 556115712 /nfs/dbraw/zinc/11/57/12/556115712.db2.gz WQGOXNPBRBVXDU-UHFFFAOYSA-N 0 0 454.880 4.311 50 0 JIAARN CCOC(=O)C1=C(COC(=O)CCCOc2ccc(C(C)(C)C)cc2)NC(=O)N[C@@H]1c1ccco1 ZINC000024002873 556115929 /nfs/dbraw/zinc/11/59/29/556115929.db2.gz JXQUYAGQYGOCNK-HSZRJFAPSA-N 0 0 484.549 4.151 50 0 JIAARN COc1cccc([C@H](NC(=O)CCC(=O)c2ccc(Br)cc2)c2nccn2C)c1 ZINC000024017612 556116336 /nfs/dbraw/zinc/11/63/36/556116336.db2.gz CFGBZOBALBHDCD-NRFANRHFSA-N 0 0 456.340 4.060 50 0 JIAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000012857713 556118422 /nfs/dbraw/zinc/11/84/22/556118422.db2.gz BOYNDPIZQLJYHG-UHFFFAOYSA-N 0 0 482.650 4.297 50 0 JIAARN CC(C)c1ccccc1OC[C@H](O)CN1C(=O)N[C@@](C)(CCc2ccc(OC(F)F)cc2)C1=O ZINC000024097854 556121571 /nfs/dbraw/zinc/12/15/71/556121571.db2.gz JACAJZMCTJTVPB-CJAUYULYSA-N 0 0 476.520 4.094 50 0 JIAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc(-c4ccco4)nn32)cc1 ZINC000012879438 556123102 /nfs/dbraw/zinc/12/31/02/556123102.db2.gz NKXDZCGZJVDBKB-JOCHJYFZSA-N 0 0 457.490 4.483 50 0 JIAARN CC(C)CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000024147918 556124497 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ZINC000012974674 556166621 /nfs/dbraw/zinc/16/66/21/556166621.db2.gz IVHUNADQWYFUBR-UHFFFAOYSA-N 0 0 483.391 4.485 50 0 JIAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(F)cc2)c1 ZINC000012975133 556167206 /nfs/dbraw/zinc/16/72/06/556167206.db2.gz KVLPCEPJONXDLB-UHFFFAOYSA-N 0 0 461.898 4.344 50 0 JIAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000024978867 556167430 /nfs/dbraw/zinc/16/74/30/556167430.db2.gz PUSVDZZAXIDDLH-IBGZPJMESA-N 0 0 478.618 4.069 50 0 JIAARN COc1cccc(CNC(=O)CSc2nc3c(-c4ccc(C)cc4)csc3c(=O)n2C)c1OC ZINC000016846030 556167854 /nfs/dbraw/zinc/16/78/54/556167854.db2.gz CDHLMFWRHGAHJM-UHFFFAOYSA-N 0 0 495.626 4.396 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)cc1 ZINC000016846651 556168732 /nfs/dbraw/zinc/16/87/32/556168732.db2.gz VABUWPMOAPRSQS-UHFFFAOYSA-N 0 0 464.572 4.351 50 0 JIAARN Cc1cc(I)ccc1NC(=O)CNc1cccc(Cl)c1N1CCOCC1 ZINC000024984593 556169394 /nfs/dbraw/zinc/16/93/94/556169394.db2.gz 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Cc1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000016902767 556174163 /nfs/dbraw/zinc/17/41/63/556174163.db2.gz SUEYAGGRXJJJGN-VQTJNVASSA-N 0 0 459.521 4.444 50 0 JIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000012981236 556174350 /nfs/dbraw/zinc/17/43/50/556174350.db2.gz WYGGPHPRAPUCIZ-QFIPXVFZSA-N 0 0 493.025 4.122 50 0 JIAARN Cc1ccccc1OC[C@@H](O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000016902827 556174453 /nfs/dbraw/zinc/17/44/53/556174453.db2.gz OPCKSMXREBPHDQ-UGKGYDQZSA-N 0 0 459.521 4.444 50 0 JIAARN COc1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000016902964 556175077 /nfs/dbraw/zinc/17/50/77/556175077.db2.gz FHYKJZGZHFSWPR-PZJWPPBQSA-N 0 0 457.530 4.005 50 0 JIAARN COc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000016903006 556175083 /nfs/dbraw/zinc/17/50/83/556175083.db2.gz XLGGBAHDRDQTIE-RXVVDRJESA-N 0 0 475.520 4.144 50 0 JIAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3C[C@H](O)COc3cccc(C)c3)CC2=O)cc1 ZINC000016903218 556175710 /nfs/dbraw/zinc/17/57/10/556175710.db2.gz ZRWCLBPGWHJOKF-UNMCSNQZSA-N 0 0 471.557 4.314 50 0 JIAARN Cc1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000016903285 556175997 /nfs/dbraw/zinc/17/59/97/556175997.db2.gz XFHTYXSALUDUQF-DENIHFKCSA-N 0 0 459.521 4.444 50 0 JIAARN Cc1cccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(F)c3)C2)c1 ZINC000016903491 556176608 /nfs/dbraw/zinc/17/66/08/556176608.db2.gz KGRZSXWHOVUXDE-UGKGYDQZSA-N 0 0 459.521 4.444 50 0 JIAARN Cc1ccc(-c2nc(CSc3nnc(CN4CCCCCC4=O)n3-c3cccnc3)no2)cc1 ZINC000025058819 556176736 /nfs/dbraw/zinc/17/67/36/556176736.db2.gz CPSCCAGLCXSCPN-UHFFFAOYSA-N 0 0 475.578 4.216 50 0 JIAARN CN(CC(=O)Nc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000025059224 556177190 /nfs/dbraw/zinc/17/71/90/556177190.db2.gz LDWGZPVTJIRRQA-JOCHJYFZSA-N 0 0 463.921 4.335 50 0 JIAARN Cn1c(COc2ccccc2Cl)nnc1SCC(=O)c1cccc(N2CCCC2=O)c1 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COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000016963771 556191574 /nfs/dbraw/zinc/19/15/74/556191574.db2.gz DHNAXGZVEGDHPQ-RUZDIDTESA-N 0 0 496.654 4.332 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)c2)C[C@@H](C)O1 ZINC000012999002 556191623 /nfs/dbraw/zinc/19/16/23/556191623.db2.gz LBKUTXPHIQJVLI-SXGZJXTBSA-N 0 0 481.039 4.105 50 0 JIAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000012999381 556191925 /nfs/dbraw/zinc/19/19/25/556191925.db2.gz NQYMXVQUESQMKD-UHFFFAOYSA-N 0 0 456.486 4.331 50 0 JIAARN CCOC(=O)c1cc(-c2cccc(NC(=O)[C@H](OC(C)=O)c3ccccc3)c2)n(-c2ccccn2)n1 ZINC000025153538 556194278 /nfs/dbraw/zinc/19/42/78/556194278.db2.gz LEIRXPSVWAYKPD-RUZDIDTESA-N 0 0 484.512 4.354 50 0 JIAARN COc1ccc(-c2nc3[nH]c(=O)cc(NC(=O)C(c4ccccc4)c4ccccc4)n3n2)cc1 ZINC000016976997 556194489 /nfs/dbraw/zinc/19/44/89/556194489.db2.gz TVWUIEJDGCFOSE-UHFFFAOYSA-N 0 0 451.486 4.276 50 0 JIAARN Cc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)cs2)cc1 ZINC000013001912 556194716 /nfs/dbraw/zinc/19/47/16/556194716.db2.gz UXLZKYSFQQYKHW-UHFFFAOYSA-N 0 0 495.548 4.284 50 0 JIAARN COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccccc3Cl)s2)cc1OC ZINC000016991919 556195853 /nfs/dbraw/zinc/19/58/53/556195853.db2.gz VWUKRUHCGOCLTR-UHFFFAOYSA-N 0 0 459.955 4.087 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(F)cc3)c12 ZINC000016993176 556197316 /nfs/dbraw/zinc/19/73/16/556197316.db2.gz GQBGRPCZWGXCNL-MRXNPFEDSA-N 0 0 470.551 4.219 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2Cl)o1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000013006129 556197769 /nfs/dbraw/zinc/19/77/69/556197769.db2.gz HZBCMDRAVWDXAQ-UHFFFAOYSA-N 0 0 463.390 4.480 50 0 JIAARN CC(C)(C)c1cc(NC(=O)CSCc2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000025160308 556199190 /nfs/dbraw/zinc/19/91/90/556199190.db2.gz OXMZRMFQGQATCZ-MRXNPFEDSA-N 0 0 456.033 4.066 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)cc1C ZINC000017011340 556201112 /nfs/dbraw/zinc/20/11/12/556201112.db2.gz KWOGPBSMDFSFDS-UHFFFAOYSA-N 0 0 453.568 4.247 50 0 JIAARN Cc1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1 ZINC000017011890 556202000 /nfs/dbraw/zinc/20/20/00/556202000.db2.gz UASQRYLGZPMADQ-UHFFFAOYSA-N 0 0 465.851 4.494 50 0 JIAARN COc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)cc1C ZINC000013010159 556202382 /nfs/dbraw/zinc/20/23/82/556202382.db2.gz BCRHTUZEBVXLEO-UHFFFAOYSA-N 0 0 478.578 4.449 50 0 JIAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2nc(C)cc(N3CCOCC3)n2)cc1 ZINC000017013251 556203079 /nfs/dbraw/zinc/20/30/79/556203079.db2.gz SFHBBWHPMGFPEF-UHFFFAOYSA-N 0 0 453.930 4.280 50 0 JIAARN Cc1nc2ccc(S(=O)(=O)Nc3ccc(Nc4nc(C)cc(N5CCOCC5)n4)cc3)cc2s1 ZINC000017013843 556203845 /nfs/dbraw/zinc/20/38/45/556203845.db2.gz BMSXQOQWPTVLJU-UHFFFAOYSA-N 0 0 496.618 4.084 50 0 JIAARN COc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(CSc2nc(C)cc(C)n2)cc1=O ZINC000017014046 556204222 /nfs/dbraw/zinc/20/42/22/556204222.db2.gz QDJXRDFKULGCLQ-UHFFFAOYSA-N 0 0 478.496 4.214 50 0 JIAARN O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CC[N@H+](Cc4ccccc4)C[C@@H]32)C(=O)N1c1ccccc1 ZINC000017014997 556204292 /nfs/dbraw/zinc/20/42/92/556204292.db2.gz ZYWYQBSDNBYBAI-UFHPHHKVSA-N 0 0 466.541 4.043 50 0 JIAARN NS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)c(Cl)c1 ZINC000013015321 556206785 /nfs/dbraw/zinc/20/67/85/556206785.db2.gz GMNXWIPEUYXVSN-UHFFFAOYSA-N 0 0 495.340 4.229 50 0 JIAARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)n2)C1 ZINC000013016336 556208062 /nfs/dbraw/zinc/20/80/62/556208062.db2.gz SCPQQFROHYRDEE-BETUJISGSA-N 0 0 455.411 4.296 50 0 JIAARN CCOc1cc(Br)c(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1OCC ZINC000025327101 556208621 /nfs/dbraw/zinc/20/86/21/556208621.db2.gz YLDAOIBRQVSCHB-UHFFFAOYSA-N 0 0 489.410 4.341 50 0 JIAARN Cc1ccc(S(=O)(=O)NC[C@@H](Sc2nnnn2-c2cccc(Cl)c2)c2ccccc2)cc1 ZINC000013016814 556208944 /nfs/dbraw/zinc/20/89/44/556208944.db2.gz IQUKKQAXBDNILL-OAQYLSRUSA-N 0 0 486.022 4.436 50 0 JIAARN CCCNC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000013018162 556210287 /nfs/dbraw/zinc/21/02/87/556210287.db2.gz SJOIQOYVYSMAFA-UHFFFAOYSA-N 0 0 475.574 4.457 50 0 JIAARN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000013018856 556210569 /nfs/dbraw/zinc/21/05/69/556210569.db2.gz OQEHUXCRXFWPDA-UHFFFAOYSA-N 0 0 451.379 4.408 50 0 JIAARN C[C@H](O)Cn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000017049803 556211112 /nfs/dbraw/zinc/21/11/12/556211112.db2.gz LCQSXZLVEXIFOG-RYUDHWBXSA-N 0 0 496.814 4.313 50 0 JIAARN C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)NC(=O)NC1CCCCC1 ZINC000025387653 556211229 /nfs/dbraw/zinc/21/12/29/556211229.db2.gz YPEWKFVTCQMXHG-KRWDZBQOSA-N 0 0 464.591 4.084 50 0 JIAARN COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CCC2 ZINC000017050664 556211402 /nfs/dbraw/zinc/21/14/02/556211402.db2.gz GDBJOZBZLQBJIE-UHFFFAOYSA-N 0 0 466.559 4.406 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc(Br)o1)C[C@@H](C)CC2 ZINC000025391311 556212503 /nfs/dbraw/zinc/21/25/03/556212503.db2.gz LIAFWGLXGUWGJC-JTQLQIEISA-N 0 0 470.341 4.201 50 0 JIAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc([C@@H](C)Oc2ccc(F)cc2)o1 ZINC000013023652 556212925 /nfs/dbraw/zinc/21/29/25/556212925.db2.gz LZQRBGYBMLSZAL-CRAIPNDOSA-N 0 0 473.526 4.129 50 0 JIAARN Cc1cc(NC(=O)c2ccc(F)cc2F)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)n1 ZINC000017053551 556214157 /nfs/dbraw/zinc/21/41/57/556214157.db2.gz VCOYCUJSJINQFJ-UHFFFAOYSA-N 0 0 475.459 4.163 50 0 JIAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)cc(I)c1O ZINC000017086058 556215999 /nfs/dbraw/zinc/21/59/99/556215999.db2.gz YIKLNFAMXRHQHE-BCTVWOGZSA-N 0 0 470.332 4.046 50 0 JIAARN COc1cc(-c2noc(C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)ccc1OC(C)C ZINC000017113583 556218613 /nfs/dbraw/zinc/21/86/13/556218613.db2.gz VNCLUVNZCVVPQL-UHFFFAOYSA-N 0 0 457.552 4.101 50 0 JIAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)C1=O ZINC000013027262 556220521 /nfs/dbraw/zinc/22/05/21/556220521.db2.gz VQOJIJQOXGTNNG-OAQYLSRUSA-N 0 0 474.380 4.259 50 0 JIAARN CCOC(=O)Nc1ccc2c(COC(=O)C3CCN(C(=O)c4cccs4)CC3)cc(=O)oc2c1 ZINC000017134421 556221287 /nfs/dbraw/zinc/22/12/87/556221287.db2.gz OXJJQAUGFDSZFL-UHFFFAOYSA-N 0 0 484.530 4.019 50 0 JIAARN Cc1sc(NC(=O)C(C)(C)C)c(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1C ZINC000017133673 556221366 /nfs/dbraw/zinc/22/13/66/556221366.db2.gz DBRJWKWHUONNRX-MRXNPFEDSA-N 0 0 487.622 4.370 50 0 JIAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)cc12 ZINC000013029000 556223350 /nfs/dbraw/zinc/22/33/50/556223350.db2.gz JOBKGEXZCMOICQ-UHFFFAOYSA-N 0 0 481.917 4.419 50 0 JIAARN Cc1cc(NC(=O)COc2ccccc2C)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1 ZINC000017136065 556223426 /nfs/dbraw/zinc/22/34/26/556223426.db2.gz DXZSBJOODCXCGX-UHFFFAOYSA-N 0 0 467.533 4.252 50 0 JIAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc3ccccn32)cc1OC ZINC000013029989 556224521 /nfs/dbraw/zinc/22/45/21/556224521.db2.gz CCJMKFNFLVSBCD-QGZVFWFLSA-N 0 0 479.587 4.278 50 0 JIAARN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(O)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000017145760 556225874 /nfs/dbraw/zinc/22/58/74/556225874.db2.gz OASDLCWQIBPTMV-FQKMCRJQSA-N 0 0 496.588 4.042 50 0 JIAARN COc1ccc([C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1OC ZINC000025611742 556227787 /nfs/dbraw/zinc/22/77/87/556227787.db2.gz PKPCUKYJAZIJGZ-JOCHJYFZSA-N 0 0 472.607 4.246 50 0 JIAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1cccc(NC(C)=O)c1C ZINC000025671280 556229598 /nfs/dbraw/zinc/22/95/98/556229598.db2.gz PKRKHMOFWDPKJA-UHFFFAOYSA-N 0 0 457.486 4.011 50 0 JIAARN Cc1ccc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc32)cc1S(=O)(=O)NCCO ZINC000017162522 556229751 /nfs/dbraw/zinc/22/97/51/556229751.db2.gz JRYSZXRNAUEEOM-UHFFFAOYSA-N 0 0 468.966 4.273 50 0 JIAARN O=C(CN1C(=O)CSc2ccccc21)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000025737454 556231906 /nfs/dbraw/zinc/23/19/06/556231906.db2.gz KQQXNFOARWUBTH-UHFFFAOYSA-N 0 0 452.557 4.191 50 0 JIAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000025764049 556232832 /nfs/dbraw/zinc/23/28/32/556232832.db2.gz JCCYSGCDFJHKHU-UHFFFAOYSA-N 0 0 460.456 4.247 50 0 JIAARN CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N(c3ccccc3)C3CCCCC3)CC2)cc1 ZINC000013037918 556233860 /nfs/dbraw/zinc/23/38/60/556233860.db2.gz FNUBLQLBESCJFE-UHFFFAOYSA-N 0 0 483.678 4.311 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000013038007 556234411 /nfs/dbraw/zinc/23/44/11/556234411.db2.gz BICPOZAEKHHFML-UHFFFAOYSA-N 0 0 460.987 4.020 50 0 JIAARN Cc1nc2scc(-c3cccs3)c2c(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 ZINC000013038360 556236086 /nfs/dbraw/zinc/23/60/86/556236086.db2.gz CJGVXHBSHWSZLF-LLVKDONJSA-N 0 0 490.657 4.495 50 0 JIAARN COC(=O)c1ccc([C@@H]2Oc3ccc(OC)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000025784059 556236153 /nfs/dbraw/zinc/23/61/53/556236153.db2.gz GDBIAVKCSNSCNH-RPBOFIJWSA-N 0 0 484.487 4.425 50 0 JIAARN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2nnc(-c3cccc(Br)c3)o2)CC1 ZINC000013038457 556236403 /nfs/dbraw/zinc/23/64/03/556236403.db2.gz YNGRKCYOAKVMFC-UHFFFAOYSA-N 0 0 451.321 4.085 50 0 JIAARN CC1=C2C(=NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2cccc(C)c2)N(c2ccc(C)cc2)N1 ZINC000013038497 556236723 /nfs/dbraw/zinc/23/67/23/556236723.db2.gz NOXPTFDQPJMQLD-DQEYMECFSA-N 0 0 450.542 4.423 50 0 JIAARN COc1cccc([C@H]2c3c(C)nn(-c4ccc(C)cc4)c3NC(=O)[C@H]2NC(=O)c2ccccc2)c1 ZINC000013038484 556236813 /nfs/dbraw/zinc/23/68/13/556236813.db2.gz AMXXWVZVJDDIDL-DQEYMECFSA-N 0 0 466.541 4.380 50 0 JIAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(C)c(F)c2)CC1 ZINC000025834864 556237219 /nfs/dbraw/zinc/23/72/19/556237219.db2.gz HRUCHXLQOONCLJ-QGZVFWFLSA-N 0 0 497.592 4.116 50 0 JIAARN CCc1cc2c(COC(=O)c3ccccc3SCC(=O)NC(C)C)cc(=O)oc2cc1O ZINC000013038710 556237770 /nfs/dbraw/zinc/23/77/70/556237770.db2.gz HEJKWAOQMKNGSD-UHFFFAOYSA-N 0 0 455.532 4.035 50 0 JIAARN Cc1c(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000025949077 556239267 /nfs/dbraw/zinc/23/92/67/556239267.db2.gz 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C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cccnc4)cs3)cc2)C1 ZINC000017244785 556245654 /nfs/dbraw/zinc/24/56/54/556245654.db2.gz MNTADZLHURWNIQ-IYBDPMFKSA-N 0 0 456.593 4.124 50 0 JIAARN COc1ccc(NC(=O)CSc2cn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc23)cc1OC ZINC000017246684 556246857 /nfs/dbraw/zinc/24/68/57/556246857.db2.gz QVWYCFHDJWLDQX-QZTJIDSGSA-N 0 0 497.617 4.025 50 0 JIAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(F)cc3F)c3ccccc32)C[C@H](C)O1 ZINC000017246766 556246896 /nfs/dbraw/zinc/24/68/96/556246896.db2.gz WKZMXTCCVDIEQG-IYBDPMFKSA-N 0 0 473.545 4.286 50 0 JIAARN CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000013056342 556251083 /nfs/dbraw/zinc/25/10/83/556251083.db2.gz YLORJCMDMJJDIK-UHFFFAOYSA-N 0 0 467.566 4.492 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)CSc2nccn3nc(-c4ccc(OC)cc4)cc23)c1 ZINC000017306664 556254080 /nfs/dbraw/zinc/25/40/80/556254080.db2.gz YMPPHFMOTHVXTO-UHFFFAOYSA-N 0 0 462.531 4.312 50 0 JIAARN C[C@@H](c1ccccc1)N1CCN(C(=O)CSc2nnc(COc3ccccc3Cl)n2C)CC1 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CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)CC2)cc1 ZINC000013112690 556314656 /nfs/dbraw/zinc/31/46/56/556314656.db2.gz ONAMZQCEEXZQDX-UHFFFAOYSA-N 0 0 486.590 4.166 50 0 JIAARN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1cccs1 ZINC000018244940 556315336 /nfs/dbraw/zinc/31/53/36/556315336.db2.gz HEYKRGUQMNOOPC-KBPBESRZSA-N 0 0 465.358 4.470 50 0 JIAARN CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)NCc4ccc5c(c4)OCO5)n3C)cc2C1 ZINC000013114701 556320514 /nfs/dbraw/zinc/32/05/14/556320514.db2.gz UUZJUZZWIBNKHU-CQSZACIVSA-N 0 0 470.620 4.196 50 0 JIAARN COc1ccc2[nH]c(SCC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)nc2c1 ZINC000018475651 556321645 /nfs/dbraw/zinc/32/16/45/556321645.db2.gz HUKVPCAXTZDLMQ-UHFFFAOYSA-N 0 0 495.026 4.130 50 0 JIAARN CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 ZINC000018831254 556324485 /nfs/dbraw/zinc/32/44/85/556324485.db2.gz UOXKQOAFNIFTTL-UHFFFAOYSA-N 0 0 455.045 4.468 50 0 JIAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 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Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000013120773 556334055 /nfs/dbraw/zinc/33/40/55/556334055.db2.gz XLHXOSVZESZTJP-UHFFFAOYSA-N 0 0 454.530 4.098 50 0 JIAARN COc1ccc(CN(C(=O)Cn2cnc3sccc3c2=O)[C@H](C)Cc2cccs2)cc1 ZINC000013121458 556337805 /nfs/dbraw/zinc/33/78/05/556337805.db2.gz IHMOQJKSVPVBHI-MRXNPFEDSA-N 0 0 453.589 4.188 50 0 JIAARN C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc4c(c3)S(=O)(=O)N=C3CCCCCN43)n2)C1 ZINC000028682393 556339282 /nfs/dbraw/zinc/33/92/82/556339282.db2.gz SMDVQWTYCSADIN-INIZCTEOSA-N 0 0 487.651 4.109 50 0 JIAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000013123475 556339733 /nfs/dbraw/zinc/33/97/33/556339733.db2.gz YAMAWEHHRSSRNW-RHSMWYFYSA-N 0 0 452.506 4.227 50 0 JIAARN O=C1c2cc(Br)ccc2N(CN2CCC(c3nc4ccccc4s3)CC2)C1=O ZINC000013126222 556341304 /nfs/dbraw/zinc/34/13/04/556341304.db2.gz SQBUGXWTNWZCGF-UHFFFAOYSA-N 0 0 456.365 4.425 50 0 JIAARN CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000028956875 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Cc1cccnc1CN1CCN(C(=O)CC[C@]2(Cc3ccc(-c4ccccc4)cc3)CCC(=O)N2)CC1 ZINC000019595612 556356595 /nfs/dbraw/zinc/35/65/95/556356595.db2.gz GBMMSNPSAPOADU-HKBQPEDESA-N 0 0 496.655 4.373 50 0 JIAARN Cc1ccc(OCCN2CCN(C(=O)c3cc4cc(Cl)cc(Cl)c4oc3=O)CC2)cc1 ZINC000019618855 556357507 /nfs/dbraw/zinc/35/75/07/556357507.db2.gz MGVIDKLGBSPCIT-UHFFFAOYSA-N 0 0 461.345 4.245 50 0 JIAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cc(Br)ccc1C ZINC000019683249 556359772 /nfs/dbraw/zinc/35/97/72/556359772.db2.gz ZWIPPVLDBLFJSN-UHFFFAOYSA-N 0 0 479.318 4.214 50 0 JIAARN C[C@H](NC(=O)COC(=O)CCCNC(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000013134093 556361402 /nfs/dbraw/zinc/36/14/02/556361402.db2.gz CUSZMUIYVIALTD-DUXBZUBYSA-N 0 0 461.002 4.114 50 0 JIAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)CC1 ZINC000029986981 556361821 /nfs/dbraw/zinc/36/18/21/556361821.db2.gz UQRKBIMQXGCFOW-UHFFFAOYSA-N 0 0 498.587 4.235 50 0 JIAARN O=C(NCCN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)c1ccc(Cl)cc1Cl ZINC000019720642 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Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1ccc2noc(-c3ccc(Br)cc3)c2c1 ZINC000019810060 556380857 /nfs/dbraw/zinc/38/08/57/556380857.db2.gz LRQWBBVSBGCSAN-QGZVFWFLSA-N 0 0 482.338 4.055 50 0 JIAARN CON(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2N2CCCCCC2)ccc1Cl ZINC000030994257 556390648 /nfs/dbraw/zinc/39/06/48/556390648.db2.gz PKVJCTLENOSMGW-UHFFFAOYSA-N 0 0 451.976 4.155 50 0 JIAARN CCc1nn2c(ncc3c2ccn(-c2cc(OC)c(OC)c(OC)c2)c3=O)c1-c1ccc(F)cc1 ZINC000019821381 556391799 /nfs/dbraw/zinc/39/17/99/556391799.db2.gz HAWGZOZZWBWULF-UHFFFAOYSA-N 0 0 474.492 4.428 50 0 JIAARN CSc1nnnn1-c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000031464579 556397142 /nfs/dbraw/zinc/39/71/42/556397142.db2.gz PXCZBPXLKCNNIH-UHFFFAOYSA-N 0 0 453.531 4.489 50 0 JIAARN COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Br)cc2)cc1 ZINC000031809635 556405860 /nfs/dbraw/zinc/40/58/60/556405860.db2.gz LRDWRDXROKGQNF-LJQANCHMSA-N 0 0 455.312 4.138 50 0 JIAARN COc1ccccc1OC[C@H](O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000031903529 556410136 /nfs/dbraw/zinc/41/01/36/556410136.db2.gz PHLMXXSNXBTLNF-NHCUHLMSSA-N 0 0 471.557 4.314 50 0 JIAARN O=C(Cn1ncc2ccccc2c1=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000032001042 556412488 /nfs/dbraw/zinc/41/24/88/556412488.db2.gz PRIDMQCXAILFSL-UHFFFAOYSA-N 0 0 479.005 4.123 50 0 JIAARN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCN(c3ncccn3)C2)c2c[nH]c3ccccc32)cc1 ZINC000032064242 556413009 /nfs/dbraw/zinc/41/30/09/556413009.db2.gz PNXVWYXROOZKPO-XUZZJYLKSA-N 0 0 468.605 4.189 50 0 JIAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(Br)cc1Br ZINC000032092618 556414821 /nfs/dbraw/zinc/41/48/21/556414821.db2.gz XVMXHNMCJBNHCG-HNNXBMFYSA-N 0 0 481.144 4.331 50 0 JIAARN COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnc(-c3ccncc3)n1Cc1ccccc1)C2 ZINC000032100616 556416449 /nfs/dbraw/zinc/41/64/49/556416449.db2.gz UOGPZDHVVIMENW-QFIPXVFZSA-N 0 0 458.543 4.305 50 0 JIAARN CC[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032445958 556435736 /nfs/dbraw/zinc/43/57/36/556435736.db2.gz BIOSGJMOMDQEBH-HSZRJFAPSA-N 0 0 493.629 4.063 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000032491873 556436346 /nfs/dbraw/zinc/43/63/46/556436346.db2.gz JMAPAIONDLTDRW-UHFFFAOYSA-N 0 0 461.747 4.024 50 0 JIAARN COC(=O)c1ccc(NC(=O)COc2ccc(-c3nc(-c4ccc(OC)cc4)no3)cc2)cc1 ZINC000032578872 556446286 /nfs/dbraw/zinc/44/62/86/556446286.db2.gz CLORFSOZGBHPQI-UHFFFAOYSA-N 0 0 459.458 4.216 50 0 JIAARN Cc1cc(OC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)ccc1Cl ZINC000032623825 556453745 /nfs/dbraw/zinc/45/37/45/556453745.db2.gz JOWKQEHJIQQLHG-UHFFFAOYSA-N 0 0 455.294 4.424 50 0 JIAARN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 ZINC000032674379 556468996 /nfs/dbraw/zinc/46/89/96/556468996.db2.gz JCULAUZFFMJYEH-HSZRJFAPSA-N 0 0 457.914 4.190 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCc1c(C)nn(-c2ccccc2)c1C ZINC000032716640 556473362 /nfs/dbraw/zinc/47/33/62/556473362.db2.gz DSAHSHKWIXVACM-UHFFFAOYSA-N 0 0 454.958 4.181 50 0 JIAARN CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 ZINC000032719019 556473885 /nfs/dbraw/zinc/47/38/85/556473885.db2.gz QMTCJKUJJNNJKL-UHFFFAOYSA-N 0 0 454.530 4.428 50 0 JIAARN CC[C@@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)C1=O ZINC000032724125 556476075 /nfs/dbraw/zinc/47/60/75/556476075.db2.gz FBFQIEFRHQZVDR-SANMLTNESA-N 0 0 497.617 4.296 50 0 JIAARN Cc1nc2ccc(C(=O)Oc3ccc(N(C)S(=O)(=O)c4ccccc4F)cc3)cc2nc1C ZINC000032740678 556480168 /nfs/dbraw/zinc/48/01/68/556480168.db2.gz YJEJZEIKWZUKSN-UHFFFAOYSA-N 0 0 465.506 4.430 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000032741334 556480803 /nfs/dbraw/zinc/48/08/03/556480803.db2.gz QSHPMHGOLXQSHY-QHCPKHFHSA-N 0 0 458.587 4.208 50 0 JIAARN COc1ccc([C@H]2CCCN2C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c(OC)c1 ZINC000032744736 556482173 /nfs/dbraw/zinc/48/21/73/556482173.db2.gz WRIMUWFISOODHI-JOCHJYFZSA-N 0 0 458.505 4.198 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)Cc3nc(-c4cccs4)oc3C)c2)cc1 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CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)ccc21 ZINC000008708617 569595205 /nfs/dbraw/zinc/59/52/05/569595205.db2.gz IZDZRIKNEMEPEJ-KXBFYZLASA-N 0 0 482.631 4.458 50 0 JIAARN COc1ccc(-c2csc3nc(C)nc(N4CCN(Cc5cc(C)on5)CC4)c23)cc1OC ZINC000057286341 569595693 /nfs/dbraw/zinc/59/56/93/569595693.db2.gz PRUGDLQJFJHGRW-UHFFFAOYSA-N 0 0 465.579 4.303 50 0 JIAARN COc1ccccc1NC(=O)c1c2c(sc1NC(=O)CNCc1ccccn1)CCCC2 ZINC000057311665 569596294 /nfs/dbraw/zinc/59/62/94/569596294.db2.gz PWOFHKQXGPEERN-UHFFFAOYSA-N 0 0 450.564 4.011 50 0 JIAARN CCC[C@@H](CNC(=O)CSc1nnc(-c2ccco2)n1N)c1ccc(Cl)cc1Cl ZINC000008719123 569597367 /nfs/dbraw/zinc/59/73/67/569597367.db2.gz MUEXRMIOTRKCJZ-LBPRGKRZSA-N 0 0 454.383 4.351 50 0 JIAARN O=C(CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1)NCc1ccco1 ZINC000008719403 569597403 /nfs/dbraw/zinc/59/74/03/569597403.db2.gz NRMRUIFSHCUPFE-UHFFFAOYSA-N 0 0 473.352 4.350 50 0 JIAARN COc1ccc(Br)cc1CN(C)C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000008719604 569597629 /nfs/dbraw/zinc/59/76/29/569597629.db2.gz KSAILUUXDLVVTE-UHFFFAOYSA-N 0 0 495.439 4.295 50 0 JIAARN Cc1ccc(-n2c(SCc3cc(Cl)c4c(c3)OCCO4)nnc2N2CCOCC2)cc1 ZINC000008720445 569598052 /nfs/dbraw/zinc/59/80/52/569598052.db2.gz VAGXAMUMMNJIJT-UHFFFAOYSA-N 0 0 458.971 4.129 50 0 JIAARN O=C(NCc1ccccc1F)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000008725717 569600394 /nfs/dbraw/zinc/60/03/94/569600394.db2.gz UHLRALDYQPOTTE-UHFFFAOYSA-N 0 0 463.328 4.319 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC3(c4ccccc4)CC3)c2)cc1 ZINC000008725700 569600464 /nfs/dbraw/zinc/60/04/64/569600464.db2.gz BUNMETNNGQNPEI-UHFFFAOYSA-N 0 0 450.560 4.348 50 0 JIAARN CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000057415482 569600815 /nfs/dbraw/zinc/60/08/15/569600815.db2.gz NARYDIAMBTVUAV-AREMUKBSSA-N 0 0 477.605 4.211 50 0 JIAARN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1OCC ZINC000057415831 569601181 /nfs/dbraw/zinc/60/11/81/569601181.db2.gz LUOVGNCLYAVOPG-VWLOTQADSA-N 0 0 461.562 4.046 50 0 JIAARN COc1cccc(Cn2c(SCC(=O)Nc3cccc(OC)c3)nc3ccsc3c2=O)c1 ZINC000057426143 569601703 /nfs/dbraw/zinc/60/17/03/569601703.db2.gz MJSXGVMRWVZOAD-UHFFFAOYSA-N 0 0 467.572 4.254 50 0 JIAARN C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(-c2ccccc2)cc1 ZINC000032978391 569606550 /nfs/dbraw/zinc/60/65/50/569606550.db2.gz NLPCEILLTXHHJT-SFHVURJKSA-N 0 0 451.544 4.166 50 0 JIAARN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000060276656 569608624 /nfs/dbraw/zinc/60/86/24/569608624.db2.gz GKKUTGCIIMTDTO-GOSISDBHSA-N 0 0 450.505 4.440 50 0 JIAARN COc1ccc(NC(=O)c2nnc(CSCC(=O)NCc3cccc(Cl)c3)s2)cc1 ZINC000032986974 569609147 /nfs/dbraw/zinc/60/91/47/569609147.db2.gz FEJDTAIIBGBYAN-UHFFFAOYSA-N 0 0 462.984 4.002 50 0 JIAARN Cc1cc(Br)cc(Cl)c1OC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000032990803 569609981 /nfs/dbraw/zinc/60/99/81/569609981.db2.gz JIWYBNPKVDGQGA-UHFFFAOYSA-N 0 0 478.817 4.405 50 0 JIAARN COc1ccc(CCNC(=O)CC/C(C)=C/Cc2c(OC)c3c(c(C)c2OC)COC3=O)cc1OC ZINC000062001719 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0 0 452.605 4.234 50 0 JIAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(NC(C)=O)cc1)N(C(C)=O)c1ccc(F)cc1-2 ZINC000032997864 569611949 /nfs/dbraw/zinc/61/19/49/569611949.db2.gz XQMWFFUIUHSMFS-NRFANRHFSA-N 0 0 453.499 4.192 50 0 JIAARN COc1ccc([C@H]2Oc3nc(SC)nnc3-c3cc(Cl)ccc3N2C(C)=O)c(OC)c1 ZINC000032998201 569612171 /nfs/dbraw/zinc/61/21/71/569612171.db2.gz XATPUJAXBIPANM-HXUWFJFHSA-N 0 0 458.927 4.375 50 0 JIAARN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000062588347 569612252 /nfs/dbraw/zinc/61/22/52/569612252.db2.gz RYTJXXDGBCDFPA-CQSZACIVSA-N 0 0 471.432 4.343 50 0 JIAARN CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCc1noc(-c2cccs2)n1 ZINC000062620529 569613223 /nfs/dbraw/zinc/61/32/23/569613223.db2.gz SVAHXJVOYLPAML-UHFFFAOYSA-N 0 0 487.335 4.360 50 0 JIAARN CCOC(=O)C1CCN(C(=O)c2ccc(-n3nc(Sc4ccc(C)cc4)ccc3=O)cc2)CC1 ZINC000032998990 569613304 /nfs/dbraw/zinc/61/33/04/569613304.db2.gz JQOLGTXKCVJOCF-UHFFFAOYSA-N 0 0 477.586 4.107 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)cc1 ZINC000062621006 569613324 /nfs/dbraw/zinc/61/33/24/569613324.db2.gz QJNIESKDVLBYSE-UHFFFAOYSA-N 0 0 488.569 4.119 50 0 JIAARN Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000062628300 569613729 /nfs/dbraw/zinc/61/37/29/569613729.db2.gz ROBBXYFEMVRVPX-HSZRJFAPSA-N 0 0 478.549 4.491 50 0 JIAARN COc1ccccc1OCCNC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC000032999724 569613836 /nfs/dbraw/zinc/61/38/36/569613836.db2.gz CEWCSUIPJSPKTB-UHFFFAOYSA-N 0 0 478.549 4.369 50 0 JIAARN COc1ccc([C@H](CNC(=O)CN2c3ccccc3[C@H](C(N)=O)C[C@H]2C)c2c[nH]c3ccccc32)cc1 ZINC000062640161 569614051 /nfs/dbraw/zinc/61/40/51/569614051.db2.gz RJOPHKPUZPBPFF-WVQWTBLQSA-N 0 0 496.611 4.292 50 0 JIAARN C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N1CCN(c2ccc(O)cc2)CC1 ZINC000062705961 569614265 /nfs/dbraw/zinc/61/42/65/569614265.db2.gz VEIOVCIHGJLBOI-ZDUSSCGKSA-N 0 0 483.204 4.066 50 0 JIAARN CCCc1nnc(C(=O)Nc2ccc(C(=O)NCc3cccc(Br)c3)cc2)s1 ZINC000033011213 569617000 /nfs/dbraw/zinc/61/70/00/569617000.db2.gz YDKIUIPHEHYUMX-UHFFFAOYSA-N 0 0 459.369 4.435 50 0 JIAARN COc1ccc(NC(=O)Cn2cnc3sc(-c4nc(-c5ccc(C)cc5)no4)c(C)c3c2=O)cc1 ZINC000064439137 569616767 /nfs/dbraw/zinc/61/67/67/569616767.db2.gz GHWKLATUGFPCIS-UHFFFAOYSA-N 0 0 487.541 4.439 50 0 JIAARN CC(C)Oc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000033011677 569617206 /nfs/dbraw/zinc/61/72/06/569617206.db2.gz QYHJQVZIWSCLFD-UHFFFAOYSA-N 0 0 460.556 4.125 50 0 JIAARN CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2ccc(NC(C)=O)cc2)c1=O ZINC000033011902 569617366 /nfs/dbraw/zinc/61/73/66/569617366.db2.gz NSGCOFPMSXXJNW-UHFFFAOYSA-N 0 0 483.528 4.009 50 0 JIAARN O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)N1CCN(c2ccccc2F)CC1 ZINC000033012333 569617451 /nfs/dbraw/zinc/61/74/51/569617451.db2.gz YFCFENNWVJSFKU-UHFFFAOYSA-N 0 0 458.493 4.270 50 0 JIAARN CC[C@H](C)NC(=O)N1CCN(c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064450938 569617563 /nfs/dbraw/zinc/61/75/63/569617563.db2.gz OQRYSKKIHKXABQ-HNNXBMFYSA-N 0 0 473.622 4.437 50 0 JIAARN COc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCC(=O)N1CCN(c2ccccc2)CC1 ZINC000033013133 569617581 /nfs/dbraw/zinc/61/75/81/569617581.db2.gz BBOIPBZZDUMXOF-UHFFFAOYSA-N 0 0 484.556 4.448 50 0 JIAARN CCc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000064558131 569618407 /nfs/dbraw/zinc/61/84/07/569618407.db2.gz JBSREIOOJRLQBO-QHCPKHFHSA-N 0 0 477.538 4.305 50 0 JIAARN O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000033019610 569618629 /nfs/dbraw/zinc/61/86/29/569618629.db2.gz AFUVXIXBKLEUEH-UHFFFAOYSA-N 0 0 494.642 4.449 50 0 JIAARN COc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccs2)cc1 ZINC000064558486 569618807 /nfs/dbraw/zinc/61/88/07/569618807.db2.gz BTZYMJOTQVHYEP-HXUWFJFHSA-N 0 0 455.557 4.392 50 0 JIAARN COc1ccc(C2=NN(CCC(=O)Nc3ccc4sc(NC(=O)C(C)C)nc4c3)C(=O)CC2)cc1 ZINC000033020359 569618884 /nfs/dbraw/zinc/61/88/84/569618884.db2.gz ZKKGZIHUPMUCBU-UHFFFAOYSA-N 0 0 493.589 4.255 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([C@@H](C)C(=O)NCc3ccc(F)cc3Cl)CC2)c1C ZINC000033024225 569619719 /nfs/dbraw/zinc/61/97/19/569619719.db2.gz NYVITNIELZCDTK-CQSZACIVSA-N 0 0 491.991 4.405 50 0 JIAARN O=C(Nc1cccc(Cl)c1)c1nnc(C(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)s1 ZINC000033024562 569619950 /nfs/dbraw/zinc/61/99/50/569619950.db2.gz FQUKZQOVOQQDKW-UHFFFAOYSA-N 0 0 490.029 4.135 50 0 JIAARN CCc1ccc(-n2c(CN3CCN(C(=O)Nc4ccc(OC)cc4)CC3)nc3cccnc32)cc1 ZINC000064578761 569620068 /nfs/dbraw/zinc/62/00/68/569620068.db2.gz KIMFYUMKFCVDBM-UHFFFAOYSA-N 0 0 470.577 4.341 50 0 JIAARN Cc1ccc(Cn2c(=O)c(N3CCC(NC(=O)Nc4ccc(C)cc4)CC3)nc3cccnc32)cc1 ZINC000064579247 569620139 /nfs/dbraw/zinc/62/01/39/569620139.db2.gz DITHWYQTWRAILC-UHFFFAOYSA-N 0 0 482.588 4.247 50 0 JIAARN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccc(C)c(F)c2)n3C)cc1 ZINC000033026121 569620956 /nfs/dbraw/zinc/62/09/56/569620956.db2.gz HFYSOCBWERSMGY-UHFFFAOYSA-N 0 0 460.509 4.254 50 0 JIAARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccc(C)c(F)c2)n3C)c1 ZINC000033026141 569621023 /nfs/dbraw/zinc/62/10/23/569621023.db2.gz LTJJMFPQCYVAEO-UHFFFAOYSA-N 0 0 474.536 4.319 50 0 JIAARN O=C(Nc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000033276781 569622002 /nfs/dbraw/zinc/62/20/02/569622002.db2.gz HGIBRNLPBCDHDJ-UHFFFAOYSA-N 0 0 486.981 4.307 50 0 JIAARN Cc1cc(C)cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(-c4noc(C5CC5)n4)cc3)CC2)c1 ZINC000033276801 569622108 /nfs/dbraw/zinc/62/21/08/569622108.db2.gz IXHDACCBPCOIQD-UHFFFAOYSA-N 0 0 480.590 4.270 50 0 JIAARN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(OC)c3)nc2O)cc1 ZINC000064591967 569622180 /nfs/dbraw/zinc/62/21/80/569622180.db2.gz FSPJPJSMSYERBE-UHFFFAOYSA-N 0 0 487.603 4.097 50 0 JIAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3ccccc3Br)n2)cc1 ZINC000064605299 569622585 /nfs/dbraw/zinc/62/25/85/569622585.db2.gz GRGHCMIWEKKMIW-UHFFFAOYSA-N 0 0 483.366 4.214 50 0 JIAARN COc1cccc(CNC(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCCC5)c4c3)CC2)c1 ZINC000064611948 569623289 /nfs/dbraw/zinc/62/32/89/569623289.db2.gz RGOBNEWYPMBZDB-UHFFFAOYSA-N 0 0 475.593 4.058 50 0 JIAARN CCOC(=O)N1CCN(C(=O)C2CCN(c3ccc(Sc4ccc(C(C)C)cc4)nn3)CC2)CC1 ZINC000064699109 569623968 /nfs/dbraw/zinc/62/39/68/569623968.db2.gz GRAKMZCOPHJTKF-UHFFFAOYSA-N 0 0 497.665 4.268 50 0 JIAARN COc1ccc(-c2nc3sc(N(C)CC(=O)NCc4ccco4)nn3c2NC(C)(C)C)cc1 ZINC000064703512 569624276 /nfs/dbraw/zinc/62/42/76/569624276.db2.gz NSBPPJJUUUKLIZ-UHFFFAOYSA-N 0 0 468.583 4.022 50 0 JIAARN COc1ccc(CNC(=O)CN(C)c2nn3c(nc(-c4ccccc4)c3NC(C)(C)C)s2)cc1 ZINC000064704347 569624853 /nfs/dbraw/zinc/62/48/53/569624853.db2.gz ZFLPLIYGQIPCCG-UHFFFAOYSA-N 0 0 478.622 4.429 50 0 JIAARN CC(C)OCCCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC2CCCC2)s1 ZINC000064704305 569624896 /nfs/dbraw/zinc/62/48/96/569624896.db2.gz UMIAMIVMIAQDSU-UHFFFAOYSA-N 0 0 470.643 4.180 50 0 JIAARN CC(C)(C)Nc1c(-c2ccccc2)nc2sc(N3CCN(C(=O)c4ccco4)CC3)nn21 ZINC000064746186 569625481 /nfs/dbraw/zinc/62/54/81/569625481.db2.gz 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Cc1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2CC(=O)N2CCc3ccccc3C2)cc1 ZINC000064792704 569629265 /nfs/dbraw/zinc/62/92/65/569629265.db2.gz BORNBRJETLEUGL-SANMLTNESA-N 0 0 462.557 4.017 50 0 JIAARN Cc1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2CC(=O)NCc2ccccc2C)cc1 ZINC000064792789 569629278 /nfs/dbraw/zinc/62/92/78/569629278.db2.gz GYBXLEXVZWXQHR-VWLOTQADSA-N 0 0 450.546 4.057 50 0 JIAARN COc1ccccc1NC(=O)CN1c2nnnn2[C@@H](c2ccc(C)cc2)C=C1c1ccccc1 ZINC000064793080 569629385 /nfs/dbraw/zinc/62/93/85/569629385.db2.gz FTDWCEUYFMNIDV-HSZRJFAPSA-N 0 0 452.518 4.079 50 0 JIAARN COc1cccc(NC(=O)CN2c3nnnn3[C@H](c3ccc(C)cc3)C=C2c2ccccc2)c1 ZINC000064793122 569629386 /nfs/dbraw/zinc/62/93/86/569629386.db2.gz VVBBMNGOZCGFNJ-DEOSSOPVSA-N 0 0 452.518 4.079 50 0 JIAARN Cc1ccc([C@@H]2C=C(c3ccccc3)N(CC(=O)Nc3cc(F)ccc3F)c3nnnn32)cc1 ZINC000064793218 569629475 /nfs/dbraw/zinc/62/94/75/569629475.db2.gz FWQDKLBTFWPXKZ-QHCPKHFHSA-N 0 0 458.472 4.349 50 0 JIAARN COc1cccc(NC(=O)CN2c3nnnn3[C@H](c3ccc(Cl)cc3)C=C2c2ccccc2)c1 ZINC000064793615 569629627 /nfs/dbraw/zinc/62/96/27/569629627.db2.gz HSLHRCPWEFQWHK-QHCPKHFHSA-N 0 0 472.936 4.424 50 0 JIAARN COc1cccc(CNC(=O)CN2c3nnnn3[C@H](c3ccc(Cl)cc3)C=C2c2ccccc2)c1 ZINC000064793750 569629711 /nfs/dbraw/zinc/62/97/11/569629711.db2.gz RGCJLWSVWLDEQI-DEOSSOPVSA-N 0 0 486.963 4.102 50 0 JIAARN COc1cc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc(OC)c1OC ZINC000064798503 569630702 /nfs/dbraw/zinc/63/07/02/569630702.db2.gz ZCBTWPDVCNTFPJ-INIZCTEOSA-N 0 0 473.572 4.389 50 0 JIAARN Cc1c(CC(=O)Nc2ccc(F)cc2F)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1 ZINC000064813708 569632010 /nfs/dbraw/zinc/63/20/10/569632010.db2.gz UFGXFBMARHFSRM-UHFFFAOYSA-N 0 0 485.494 4.374 50 0 JIAARN COc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCC2)c(OC)c1 ZINC000064815707 569632805 /nfs/dbraw/zinc/63/28/05/569632805.db2.gz XDZYHCGOYDGAET-RUZDIDTESA-N 0 0 480.590 4.107 50 0 JIAARN CCc1ccccc1N1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064815988 569632918 /nfs/dbraw/zinc/63/29/18/569632918.db2.gz UEGOMJAOTPMXGF-MUUNZHRXSA-N 0 0 484.556 4.450 50 0 JIAARN COc1cc(/C=C\C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)C3=O)cc(OC)c1OC ZINC000033738643 569632991 /nfs/dbraw/zinc/63/29/91/569632991.db2.gz WACMYJVKHCGUNV-FPLPWBNLSA-N 0 0 463.486 4.056 50 0 JIAARN CC(=O)Nc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2cccc(C)c2)cc1 ZINC000064816097 569633139 /nfs/dbraw/zinc/63/31/39/569633139.db2.gz BHNFMFJMWOSIMU-MUUNZHRXSA-N 0 0 497.555 4.145 50 0 JIAARN COc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccc(F)cc2)c1 ZINC000064816102 569633150 /nfs/dbraw/zinc/63/31/50/569633150.db2.gz MRQGZDYTQSMXMN-AREMUKBSSA-N 0 0 474.492 4.026 50 0 JIAARN Cc1ccccc1N1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NCc1cccc(F)c1 ZINC000064816397 569633446 /nfs/dbraw/zinc/63/34/46/569633446.db2.gz BQIKAKCBHKWWJM-AREMUKBSSA-N 0 0 458.493 4.326 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)Nc3cc(F)ccc3F)n(CCc3ccccc3)c(=O)c21 ZINC000064817090 569634108 /nfs/dbraw/zinc/63/41/08/569634108.db2.gz 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Cc1cccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3nc2N2CCCC2)c1 ZINC000064819434 569635809 /nfs/dbraw/zinc/63/58/09/569635809.db2.gz MKHCGNOHQPUKGX-UHFFFAOYSA-N 0 0 452.558 4.267 50 0 JIAARN COCCN(Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)C(=O)C(C)C ZINC000033851435 569636228 /nfs/dbraw/zinc/63/62/28/569636228.db2.gz MRLMRGCBAYWKIT-UHFFFAOYSA-N 0 0 459.486 4.104 50 0 JIAARN CCOc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)c(C)o2)cc1 ZINC000064835587 569636246 /nfs/dbraw/zinc/63/62/46/569636246.db2.gz BOQGQXYRSPFAME-UHFFFAOYSA-N 0 0 495.645 4.434 50 0 JIAARN Cc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)cc3)c2=O)c(C)c1 ZINC000064838605 569637137 /nfs/dbraw/zinc/63/71/37/569637137.db2.gz DSYKLQZCAPJRBP-UHFFFAOYSA-N 0 0 458.967 4.207 50 0 JIAARN Cc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Br)cc3)c2=O)cc1 ZINC000064838752 569637346 /nfs/dbraw/zinc/63/73/46/569637346.db2.gz XCWDXKGCWKASKI-UHFFFAOYSA-N 0 0 489.391 4.008 50 0 JIAARN Cc1nc2cc(C(=O)NCc3cccc(Br)c3)ccc2n(Cc2ccccc2)c1=O ZINC000064859527 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462.524 4.141 50 0 JIAARN Cc1ccc(N2CCN(Cc3nc(C(=O)NCc4cccc(C(F)(F)F)c4)co3)CC2)cc1 ZINC000034668349 569640544 /nfs/dbraw/zinc/64/05/44/569640544.db2.gz DDQDJRXOEJLSPE-UHFFFAOYSA-N 0 0 458.484 4.254 50 0 JIAARN COc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCc3cccnc3)cc2)cc1 ZINC000034675956 569641238 /nfs/dbraw/zinc/64/12/38/569641238.db2.gz CENZGOCYKXTWSI-UHFFFAOYSA-N 0 0 455.514 4.389 50 0 JIAARN Cc1ccc(N2CCN(c3nc4c(c(N(C)C)n3)CN(C(=O)c3ccccc3Cl)CC4)CC2)cc1 ZINC000034676580 569641333 /nfs/dbraw/zinc/64/13/33/569641333.db2.gz MCXQXMMIZWLVIV-UHFFFAOYSA-N 0 0 491.039 4.030 50 0 JIAARN COc1ccc(Cl)cc1S(=O)(=O)NCCn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000064888071 569641776 /nfs/dbraw/zinc/64/17/76/569641776.db2.gz LLPRXMBPKQMYLL-UHFFFAOYSA-N 0 0 459.930 4.483 50 0 JIAARN CC(C)c1ccc(NC(=O)CCn2cnc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 ZINC000064889138 569642607 /nfs/dbraw/zinc/64/26/07/569642607.db2.gz ACEZXOZFRWNQEI-UHFFFAOYSA-N 0 0 454.596 4.363 50 0 JIAARN CCCn1c2ccc(-c3noc([C@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)n3)cc2nc(C)c1=O ZINC000064890396 569643835 /nfs/dbraw/zinc/64/38/35/569643835.db2.gz ZTSYHOWYTQEVIA-IBGZPJMESA-N 0 0 457.534 4.302 50 0 JIAARN COc1ccc(CN2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCC2)c(OC)c1 ZINC000064892795 569644485 /nfs/dbraw/zinc/64/44/85/569644485.db2.gz ACSQGBNLOVQKCW-RUZDIDTESA-N 0 0 467.591 4.194 50 0 JIAARN COc1cccc(N(C2CCN(Cc3ccncc3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000034683871 569644645 /nfs/dbraw/zinc/64/46/45/569644645.db2.gz JEWUOPHDOOPHIT-UHFFFAOYSA-N 0 0 451.592 4.259 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)CCc1c(C)nn(-c2cc(N3CCCC3)ncn2)c1C ZINC000064924577 569646251 /nfs/dbraw/zinc/64/62/51/569646251.db2.gz SXKNKPBLCHRQSM-UHFFFAOYSA-N 0 0 468.989 4.421 50 0 JIAARN CSc1ccc(CCNC(=O)CCc2c(C)nn(-c3cc(N4CCCCC4)ncn3)c2C)cc1 ZINC000064924888 569646392 /nfs/dbraw/zinc/64/63/92/569646392.db2.gz ZQLYHJQCPBRLGF-UHFFFAOYSA-N 0 0 478.666 4.283 50 0 JIAARN O=c1c2c(ncn2Cc2ccc(C(F)(F)F)cc2)n(-c2cccc(Cl)c2)c(=O)n1CC1CC1 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CC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)c(Cl)c4)c3)c2)n1 ZINC000071768404 569697496 /nfs/dbraw/zinc/69/74/96/569697496.db2.gz DUIOZWDARXUMRE-UHFFFAOYSA-N 0 0 454.893 4.337 50 0 JIAARN O=C(Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)c1)c1ccncc1 ZINC000071792667 569698511 /nfs/dbraw/zinc/69/85/11/569698511.db2.gz YNDBEUFCIFYJMJ-XMMPIXPASA-N 0 0 480.524 4.436 50 0 JIAARN COc1cccc(CNC(=O)[C@@]2(C)CCCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)C2)c1 ZINC000035526933 569698970 /nfs/dbraw/zinc/69/89/70/569698970.db2.gz QWIZXUPYUGEZGL-VWLOTQADSA-N 0 0 458.624 4.100 50 0 JIAARN Cc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000035527805 569699429 /nfs/dbraw/zinc/69/94/29/569699429.db2.gz XILJZMXQXMRCPU-LJQANCHMSA-N 0 0 459.955 4.226 50 0 JIAARN Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)n2)cc1 ZINC000035527789 569699488 /nfs/dbraw/zinc/69/94/88/569699488.db2.gz BQJOQDFYNOGEAH-VXKWHMMOSA-N 0 0 482.606 4.020 50 0 JIAARN COc1cccc(CNC(=O)C2(C)CCN(C(=O)Nc3cccc(Br)c3)CC2)c1 ZINC000035530580 569700339 /nfs/dbraw/zinc/70/03/39/569700339.db2.gz LNRCPKMTOJPLIW-UHFFFAOYSA-N 0 0 460.372 4.408 50 0 JIAARN O=C(CSc1nnc2n1c1ccsc1c(=O)n2Cc1ccccc1)Nc1ccccc1F ZINC000035532117 569700684 /nfs/dbraw/zinc/70/06/84/569700684.db2.gz LXUUUEBMDVHMFV-UHFFFAOYSA-N 0 0 465.535 4.024 50 0 JIAARN Cc1ccc2c(c1)N(C(=O)CSc1ncnc3nc(N4CCC[C@@H](C)C4)sc31)CCO2 ZINC000035533690 569701125 /nfs/dbraw/zinc/70/11/25/569701125.db2.gz UMMVRUDASJRIHH-OAHLLOKOSA-N 0 0 455.609 4.149 50 0 JIAARN O=C(CSc1ncnc2nc(N3CCc4ccccc4C3)sc21)Nc1ccc2c(c1)OCCO2 ZINC000035533788 569701261 /nfs/dbraw/zinc/70/12/61/569701261.db2.gz SLZGVGDWZUVRFK-UHFFFAOYSA-N 0 0 491.598 4.151 50 0 JIAARN CN(Cc1ccccc1)c1nc2ncnc(SCC(=O)N3CCc4ccccc4C3)c2s1 ZINC000035534183 569701441 /nfs/dbraw/zinc/70/14/41/569701441.db2.gz IZSNYPMDJDVVAE-UHFFFAOYSA-N 0 0 461.616 4.400 50 0 JIAARN O=C(Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Cl)ccc21)NCCCc1ccccc1 ZINC000035535297 569701873 /nfs/dbraw/zinc/70/18/73/569701873.db2.gz YBRQGQJSRGTCGO-UHFFFAOYSA-N 0 0 459.933 4.030 50 0 JIAARN O=C(CSc1nc2ccsc2c(=O)n1-c1cc(F)cc(F)c1)NCCc1ccccc1 ZINC000072328297 569702340 /nfs/dbraw/zinc/70/23/40/569702340.db2.gz NBMMDCJADLRWSB-UHFFFAOYSA-N 0 0 457.527 4.176 50 0 JIAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000035554017 569702579 /nfs/dbraw/zinc/70/25/79/569702579.db2.gz YZIBNVMBTGCXEK-UHFFFAOYSA-N 0 0 474.608 4.269 50 0 JIAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000035553951 569702666 /nfs/dbraw/zinc/70/26/66/569702666.db2.gz CIGXROMJTCXDON-UHFFFAOYSA-N 0 0 492.598 4.408 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cccc(Cl)c4)C3)c(C)s2)no1 ZINC000035555226 569702742 /nfs/dbraw/zinc/70/27/42/569702742.db2.gz XJZBRVOIVPZALU-AWEZNQCLSA-N 0 0 480.999 4.108 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(C)c(C)c4)C3)c(C)s2)no1 ZINC000035555406 569702796 /nfs/dbraw/zinc/70/27/96/569702796.db2.gz WXLAHZHICBJUEE-KRWDZBQOSA-N 0 0 474.608 4.071 50 0 JIAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000035555740 569703062 /nfs/dbraw/zinc/70/30/62/569703062.db2.gz MEOJITXJDWVACN-HNNXBMFYSA-N 0 0 492.598 4.408 50 0 JIAARN CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)CC2)c1 ZINC000035556668 569703149 /nfs/dbraw/zinc/70/31/49/569703149.db2.gz IIQQUTCESHJNGZ-UHFFFAOYSA-N 0 0 474.608 4.017 50 0 JIAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2)C1 ZINC000035555877 569703190 /nfs/dbraw/zinc/70/31/90/569703190.db2.gz FEGYHNMXISIBHT-QGZVFWFLSA-N 0 0 486.619 4.332 50 0 JIAARN COc1ccccc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(Cc2ccc(Cl)cc2)c1=O ZINC000072333282 569703213 /nfs/dbraw/zinc/70/32/13/569703213.db2.gz MLSCJSKCPTYGFE-UHFFFAOYSA-N 0 0 489.915 4.258 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C=C1SC(=O)N=C1Nc1ccc(Cl)cc1 ZINC000072401148 569703747 /nfs/dbraw/zinc/70/37/47/569703747.db2.gz XHKHICABAFDGHM-MBBOSUJBSA-N 0 0 450.973 4.231 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)CN1C(=O)CCc2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc21 ZINC000035560499 569704222 /nfs/dbraw/zinc/70/42/22/569704222.db2.gz TZWXJURUVLFQOO-MRXNPFEDSA-N 0 0 490.025 4.129 50 0 JIAARN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562045 569704521 /nfs/dbraw/zinc/70/45/21/569704521.db2.gz RESRNYZHZMNTCC-HNNXBMFYSA-N 0 0 467.953 4.355 50 0 JIAARN COc1ccc(CNC(=O)CC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(OC)c1 ZINC000035562033 569704570 /nfs/dbraw/zinc/70/45/70/569704570.db2.gz XJHAPGJWFAUXGB-UHFFFAOYSA-N 0 0 469.969 4.397 50 0 JIAARN CCOc1ccc(CC(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1OCC ZINC000035562233 569704842 /nfs/dbraw/zinc/70/48/42/569704842.db2.gz OVODBKLPTHVSND-UHFFFAOYSA-N 0 0 469.969 4.146 50 0 JIAARN CO[C@H]1O[C@H](CO)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000077303474 569705887 /nfs/dbraw/zinc/70/58/87/569705887.db2.gz MOKYEUQDXDKNDX-JYIVOWJTSA-N 0 0 464.558 4.106 50 0 in-vitro JIAARN CC[C@H](C)[C@H](NS(=O)(=O)c1cccc2cccnc21)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000035725317 569708653 /nfs/dbraw/zinc/70/86/53/569708653.db2.gz DCKGHEYSFRSIJM-KXBFYZLASA-N 0 0 481.603 4.085 50 0 JIAARN COc1cc(NC(=O)Nc2ccc([C@H]3NC(=S)N(C)C(C)=C3C(=O)OC(C)C)cc2)cc(OC)c1 ZINC000035729745 569709203 /nfs/dbraw/zinc/70/92/03/569709203.db2.gz MJFZLQODAKZXIX-JOCHJYFZSA-N 0 0 498.605 4.434 50 0 JIAARN O=C(NCCNc1ccc(C(F)(F)F)cn1)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000084582020 569709439 /nfs/dbraw/zinc/70/94/39/569709439.db2.gz NXDHGSALMOBKMK-RBUKOAKNSA-N 0 0 460.500 4.024 50 0 JIAARN Cc1oc(-c2ccc(C(=O)NCc3ccco3)cc2)nc1CN1CCN(c2ccccc2)CC1 ZINC000085385005 569709782 /nfs/dbraw/zinc/70/97/82/569709782.db2.gz ZWDOFKLWRRXWAG-UHFFFAOYSA-N 0 0 456.546 4.495 50 0 JIAARN CC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)Cc1ccccc1 ZINC000035766510 569709928 /nfs/dbraw/zinc/70/99/28/569709928.db2.gz CULPZISAPBSKKK-UHFFFAOYSA-N 0 0 468.619 4.339 50 0 JIAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C2CC2)S(=O)(=O)c2ccccc2)o1 ZINC000035766638 569710007 /nfs/dbraw/zinc/71/00/07/569710007.db2.gz ITDCXTFOCSMSIB-UHFFFAOYSA-N 0 0 456.539 4.109 50 0 JIAARN O=S(=O)(c1nnn2c1nc(Nc1nc3ccccc3s1)c1ccccc12)c1ccccc1 ZINC000085392298 569710008 /nfs/dbraw/zinc/71/00/08/569710008.db2.gz ORQBIECUJZKCDK-UHFFFAOYSA-N 0 0 458.528 4.464 50 0 JIAARN CCOC(=O)CCC(=O)N(Cc1ccco1)Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000035769848 569710652 /nfs/dbraw/zinc/71/06/52/569710652.db2.gz ADEIOMDNSXXYEQ-UHFFFAOYSA-N 0 0 489.521 4.059 50 0 JIAARN Cc1[nH]c(C(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000085598247 569711095 /nfs/dbraw/zinc/71/10/95/569711095.db2.gz HKBNPQOBHPZPBV-UHFFFAOYSA-N 0 0 457.640 4.291 50 0 JIAARN CC(C)CCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(Br)cc4)no3)ccc2c1=O ZINC000085601963 569711142 /nfs/dbraw/zinc/71/11/42/569711142.db2.gz ODYVHYLLDOENJC-UHFFFAOYSA-N 0 0 455.312 4.215 50 0 JIAARN CCCNC(=O)Cc1csc(NC(=O)CN(CC(C)C)C(=O)c2ccc(Cl)cc2Cl)n1 ZINC000035807730 569711744 /nfs/dbraw/zinc/71/17/44/569711744.db2.gz OSQFKAILPDXEOT-UHFFFAOYSA-N 0 0 485.437 4.256 50 0 JIAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3)no2)cc1OC ZINC000085644602 569712128 /nfs/dbraw/zinc/71/21/28/569712128.db2.gz OESCQGZOSAJYHL-UHFFFAOYSA-N 0 0 457.533 4.307 50 0 JIAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC2CC2)C(=O)NC(C)(C)C)cc1OC ZINC000035809112 569712221 /nfs/dbraw/zinc/71/22/21/569712221.db2.gz PLNBEHZUHOFDKW-UHFFFAOYSA-N 0 0 485.625 4.397 50 0 JIAARN COc1cccc(CN(C[C@@H]2CC(c3ccc(OC)c(OC)c3)=NO2)C(=O)C2CCCC2)c1 ZINC000035835347 569713318 /nfs/dbraw/zinc/71/33/18/569713318.db2.gz VYYAVZPTWBBMBE-QFIPXVFZSA-N 0 0 452.551 4.424 50 0 JIAARN Cc1ccc(NC(=O)CCn2c3ccc(S(=O)(=O)N4CCCCCC4)cc3sc2=O)c(C)c1 ZINC000085653571 569714235 /nfs/dbraw/zinc/71/42/35/569714235.db2.gz QRSXPGZXDCVQKC-UHFFFAOYSA-N 0 0 487.647 4.273 50 0 JIAARN Cc1ccc(-n2nc(N3CCCN(C(=O)[C@@H](C)Oc4cccc(Cl)c4)CC3)ccc2=O)cc1C ZINC000085654120 569714470 /nfs/dbraw/zinc/71/44/70/569714470.db2.gz FEOUOZDFUJKYCM-HXUWFJFHSA-N 0 0 480.996 4.009 50 0 JIAARN COc1ccccc1Cn1c(C(=O)N2CCN(C(=O)c3ccco3)[C@@H](C)C2)cc2ccsc21 ZINC000035844340 569715102 /nfs/dbraw/zinc/71/51/02/569715102.db2.gz KTQCVXIKGHMQJJ-KRWDZBQOSA-N 0 0 463.559 4.339 50 0 JIAARN O=C(CCn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)NCc1ccc2c(c1)OCO2 ZINC000085876043 569715909 /nfs/dbraw/zinc/71/59/09/569715909.db2.gz AZYCSFUTJVCWCL-UHFFFAOYSA-N 0 0 492.535 4.010 50 0 biogenic JIAARN CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)cc1OCC ZINC000086057806 569717586 /nfs/dbraw/zinc/71/75/86/569717586.db2.gz RPWRWQHELOPMKJ-QGZVFWFLSA-N 0 0 469.538 4.473 50 0 JIAARN COc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000089444096 569718373 /nfs/dbraw/zinc/71/83/73/569718373.db2.gz AGHYDAVDDSCNNQ-UHFFFAOYSA-N 0 0 466.893 4.461 50 0 JIAARN O=C(NCCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000035871335 569718615 /nfs/dbraw/zinc/71/86/15/569718615.db2.gz PVAVPUSIQBEHEX-ZCYQVOJMSA-N 0 0 480.534 4.327 50 0 JIAARN O=C(NCc1cccnc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000035871357 569718628 /nfs/dbraw/zinc/71/86/28/569718628.db2.gz RSTKBDCXGDPQTO-UPVQGACJSA-N 0 0 466.507 4.284 50 0 JIAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCc1cccc(F)c1)C2 ZINC000035872047 569719042 /nfs/dbraw/zinc/71/90/42/569719042.db2.gz VCZYFLAMTAGGIC-AOYPEHQESA-N 0 0 463.528 4.157 50 0 JIAARN COc1ccc(CCN2C[C@H](C(=O)Nc3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1OC ZINC000089641128 569719226 /nfs/dbraw/zinc/71/92/26/569719226.db2.gz HGRCDWSJUCOZRG-LJQANCHMSA-N 0 0 465.575 4.165 50 0 JIAARN CC[C@@H]1Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc2CN(Cc2ccc3c(c2)OCO3)C1=O ZINC000035883299 569720083 /nfs/dbraw/zinc/72/00/83/569720083.db2.gz XLODPWOTNZNAQU-QFIPXVFZSA-N 0 0 476.504 4.435 50 0 JIAARN COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)CN(CCc2ccccc2OC)C(=O)[C@@H](C)O3)c1 ZINC000035884845 569720238 /nfs/dbraw/zinc/72/02/38/569720238.db2.gz CACHPODFBJLAEZ-GOSISDBHSA-N 0 0 490.556 4.317 50 0 JIAARN COc1ccccc1CN1Cc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc2O[C@@H](C)C1=O ZINC000035885102 569720331 /nfs/dbraw/zinc/72/03/31/569720331.db2.gz SBJFYIIBQFIAKZ-KRWDZBQOSA-N 0 0 476.529 4.274 50 0 JIAARN COc1cccc(CC(=O)Nc2ccc3c(c2)CN(Cc2ccc(Cl)cc2)C(=O)CO3)c1 ZINC000035886193 569720520 /nfs/dbraw/zinc/72/05/20/569720520.db2.gz VOECZQPYQBWTFE-UHFFFAOYSA-N 0 0 450.922 4.451 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CC(Oc3nc4ccccc4s3)C2)cc1 ZINC000090594031 569720983 /nfs/dbraw/zinc/72/09/83/569720983.db2.gz MZZRHJMFKPIPSY-UHFFFAOYSA-N 0 0 479.583 4.025 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3nc(C)nc(C)c3Cc3ccccc3F)CC2)c(C)c1 ZINC000035888164 569721095 /nfs/dbraw/zinc/72/10/95/569721095.db2.gz IPDXINIMHVRJQX-UHFFFAOYSA-N 0 0 482.625 4.260 50 0 JIAARN COc1cccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3ccccc3Cl)CC2)c1 ZINC000035888014 569721208 /nfs/dbraw/zinc/72/12/08/569721208.db2.gz IDRFIIYPWHTATQ-UHFFFAOYSA-N 0 0 450.970 4.309 50 0 JIAARN CCc1cccc2c([C@@H](CC(=O)NCCCN3CCOCC3)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000035888842 569721397 /nfs/dbraw/zinc/72/13/97/569721397.db2.gz UIJOYNSRXUORPS-QHCPKHFHSA-N 0 0 479.621 4.108 50 0 JIAARN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cc3ccc(O)cc3oc2=O)cc1 ZINC000095471152 569723434 /nfs/dbraw/zinc/72/34/34/569723434.db2.gz NMRZVFBQRVTXMA-UHFFFAOYSA-N 0 0 464.499 4.169 50 0 JIAARN COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@H](C(=O)NCC(C)C)[C@H]2C1 ZINC000035907828 569723445 /nfs/dbraw/zinc/72/34/45/569723445.db2.gz NXBOXIWQQHRHPQ-SIKLNZKXSA-N 0 0 461.528 4.354 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000035908582 569724107 /nfs/dbraw/zinc/72/41/07/569724107.db2.gz MUTVUOVNEJXAMW-UHFFFAOYSA-N 0 0 458.541 4.178 50 0 JIAARN COCc1nc(C2CC2)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1cccc(Cl)c1 ZINC000095536455 569725747 /nfs/dbraw/zinc/72/57/47/569725747.db2.gz MHXOKIXRDZJAJG-UHFFFAOYSA-N 0 0 455.002 4.193 50 0 JIAARN Cc1cccc(-c2nnc3c4ccc(Cl)cc4nc(N4CCN(C(=O)C5CCC5)CC4)n23)c1 ZINC000095537544 569726071 /nfs/dbraw/zinc/72/60/71/569726071.db2.gz QUMJKJZFHVRODX-UHFFFAOYSA-N 0 0 460.969 4.355 50 0 JIAARN O=c1c2cc(-c3ccc4c(c3)OCO4)nn2ccn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000095538549 569726117 /nfs/dbraw/zinc/72/61/17/569726117.db2.gz LUUMHSNQVXDFKR-UHFFFAOYSA-N 0 0 481.390 4.009 50 0 JIAARN O=C(Cn1nc2c3cc(-c4ccc(Cl)cc4)nn3ccn2c1=O)Nc1ccccc1C(F)(F)F ZINC000095538017 569726118 /nfs/dbraw/zinc/72/61/18/569726118.db2.gz CXHKIENPFURXAO-UHFFFAOYSA-N 0 0 486.841 4.122 50 0 JIAARN COc1ccc(NC(=O)[C@H]2Cc3ccc(OC)cc3N3CCN(c4ccccc4F)C[C@H]23)cc1 ZINC000035911060 569726157 /nfs/dbraw/zinc/72/61/57/569726157.db2.gz YQQSDHPVPKZGDH-BKMJKUGQSA-N 0 0 461.537 4.349 50 0 JIAARN CC(C)Cn1c(=O)c2c(ncn2Cc2ccc(C(F)(F)F)cc2)n(-c2ccc(F)cc2)c1=O ZINC000095538931 569726462 /nfs/dbraw/zinc/72/64/62/569726462.db2.gz UVKNNNIHEWXDST-UHFFFAOYSA-N 0 0 460.431 4.211 50 0 JIAARN COc1cccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(F)c(Cl)c5)no4)ccn3n2)c1 ZINC000095542675 569726574 /nfs/dbraw/zinc/72/65/74/569726574.db2.gz ISBSBKQOMDDNQH-UHFFFAOYSA-N 0 0 451.845 4.062 50 0 JIAARN CC[C@@H](C)NC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cc(C)ccc4C)n3)c(=O)n12 ZINC000035911768 569726962 /nfs/dbraw/zinc/72/69/62/569726962.db2.gz RDDIXZFIOCPTMJ-MRXNPFEDSA-N 0 0 463.607 4.300 50 0 JIAARN COc1ccc(C(=O)N(CCc2nc(-c3ccc4c(c3)OCO4)no2)Cc2ccccc2)cc1 ZINC000095547413 569727292 /nfs/dbraw/zinc/72/72/92/569727292.db2.gz QIJDRFLTKVRQLD-UHFFFAOYSA-N 0 0 457.486 4.359 50 0 JIAARN O=C(c1ccccc1CSc1nnc(-c2ccco2)n1-c1ccc(F)cc1)N1CCOCC1 ZINC000095546833 569727294 /nfs/dbraw/zinc/72/72/94/569727294.db2.gz WFPKQAYYSLLLBI-UHFFFAOYSA-N 0 0 464.522 4.431 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCN(C(=O)COc4ccccc4)CC3)c12 ZINC000035912646 569727709 /nfs/dbraw/zinc/72/77/09/569727709.db2.gz DSQAHWMONNBKSU-UHFFFAOYSA-N 0 0 484.604 4.050 50 0 JIAARN Cc1cc(-c2c(C)nc3c(OCC(=O)c4ccccc4)cccn3c2=O)nn1-c1ccccc1 ZINC000035924571 569728021 /nfs/dbraw/zinc/72/80/21/569728021.db2.gz IQDWBKZCFGANGU-UHFFFAOYSA-N 0 0 450.498 4.426 50 0 JIAARN CCOC(=O)CCCOc1cccn2c(=O)c(-c3cc(C)n(-c4ccc(C)cc4)n3)c(C)nc12 ZINC000035924583 569728058 /nfs/dbraw/zinc/72/80/58/569728058.db2.gz WGHYQXBPTYMFAE-UHFFFAOYSA-N 0 0 460.534 4.195 50 0 JIAARN COc1cc2c(nc(SCC(=O)OC(C)(C)C)n(-c3ccc(C)cc3)c2=O)c(OC)c1OC ZINC000035924830 569728307 /nfs/dbraw/zinc/72/83/07/569728307.db2.gz IXZFZHWLDTYKKM-UHFFFAOYSA-N 0 0 472.563 4.154 50 0 JIAARN CCOC(=O)CCCSc1nc2c(cc(OC)c(OC)c2OC)c(=O)n1-c1cccc(C)c1 ZINC000035924810 569728319 /nfs/dbraw/zinc/72/83/19/569728319.db2.gz WZEYQPJUNTWJAT-UHFFFAOYSA-N 0 0 472.563 4.155 50 0 JIAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000035925411 569728776 /nfs/dbraw/zinc/72/87/76/569728776.db2.gz GTIJUAZVCZYARG-UHFFFAOYSA-N 0 0 454.578 4.049 50 0 JIAARN CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000035925466 569728872 /nfs/dbraw/zinc/72/88/72/569728872.db2.gz PYSMQRIMDLVVHO-UHFFFAOYSA-N 0 0 458.541 4.116 50 0 JIAARN O=C(CCC1CCCC1)N1CCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925984 569729382 /nfs/dbraw/zinc/72/93/82/569729382.db2.gz 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COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1)C(=O)c1cccs1 ZINC000035948345 569735259 /nfs/dbraw/zinc/73/52/59/569735259.db2.gz PXFGKBZHUXBQPH-IBGZPJMESA-N 0 0 471.579 4.415 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000035948400 569735376 /nfs/dbraw/zinc/73/53/76/569735376.db2.gz ADZYABRSKOJIMH-OAQYLSRUSA-N 0 0 493.585 4.224 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)C(=O)c1ccccc1F ZINC000035948493 569735377 /nfs/dbraw/zinc/73/53/77/569735377.db2.gz LRIXTXYHFBVAEW-IBGZPJMESA-N 0 0 471.579 4.415 50 0 JIAARN CN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc2c(c1)OCO2)C(=O)c1ccco1 ZINC000035948731 569735593 /nfs/dbraw/zinc/73/55/93/569735593.db2.gz QQHOAZULLNPBHJ-IBGZPJMESA-N 0 0 465.893 4.112 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1Cl)C(=O)NC(C)C ZINC000035948881 569735732 /nfs/dbraw/zinc/73/57/32/569735732.db2.gz APTYUAQWTAAKQE-LJQANCHMSA-N 0 0 463.003 4.146 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccs3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000035960426 569736430 /nfs/dbraw/zinc/73/64/30/569736430.db2.gz ONVAFJXCXJNKJY-JOCHJYFZSA-N 0 0 463.559 4.215 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccc(F)c3)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000035960532 569736486 /nfs/dbraw/zinc/73/64/86/569736486.db2.gz CVNKVCOYHKVPRL-XMMPIXPASA-N 0 0 493.510 4.432 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1F)C(=O)C1CCCC1 ZINC000035962012 569737367 /nfs/dbraw/zinc/73/73/67/569737367.db2.gz PHZIYSCOKBWWHK-RUZDIDTESA-N 0 0 481.568 4.177 50 0 JIAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)C2CCCC2)c1 ZINC000035962754 569737734 /nfs/dbraw/zinc/73/77/34/569737734.db2.gz GGRYBGAKMIYMBD-HSZRJFAPSA-N 0 0 467.541 4.169 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(C)cc1)C(=O)NC(C)(C)C ZINC000035963082 569737852 /nfs/dbraw/zinc/73/78/52/569737852.db2.gz QSVQRYSHLQYCCS-DEOSSOPVSA-N 0 0 480.609 4.138 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(=O)c2cc(-c3c(C)cc(C)cc3C)on2)C1 ZINC000096210818 569738121 /nfs/dbraw/zinc/73/81/21/569738121.db2.gz GDNSXSMHKDIKER-IRLDBZIGSA-N 0 0 481.593 4.063 50 0 JIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000096221705 569739151 /nfs/dbraw/zinc/73/91/51/569739151.db2.gz CXORHCSVIGDORS-HSZRJFAPSA-N 0 0 458.514 4.344 50 0 biogenic JIAARN CCOc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)n2)cc1 ZINC000096579906 569741628 /nfs/dbraw/zinc/74/16/28/569741628.db2.gz PICWHWRNOQGTQB-UHFFFAOYSA-N 0 0 459.593 4.492 50 0 JIAARN CN[C@@H](c1nnnn1[C@@H]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)C(C)(C)C)c1ccccc1 ZINC000096602277 569742462 /nfs/dbraw/zinc/74/24/62/569742462.db2.gz JLBCMYPLTXAQDT-RZUBCFFCSA-N 0 0 466.977 4.092 50 0 JIAARN O=C(c1cccc(F)c1)N(CCN1CCOCC1)Cc1nccn1Cc1ccc(C(F)(F)F)cc1 ZINC000035981289 569742602 /nfs/dbraw/zinc/74/26/02/569742602.db2.gz ZCEWNPJLORBOCO-UHFFFAOYSA-N 0 0 490.501 4.064 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cnc(-c3ccc(OC)cc3)nc2Oc2ccccc2)C1 ZINC000035988189 569743669 /nfs/dbraw/zinc/74/36/69/569743669.db2.gz DIVUKHIVSQNVHM-LJQANCHMSA-N 0 0 461.518 4.360 50 0 JIAARN COc1ccc(-n2nc(-c3ccccc3)c3cc(C(=O)NCCNC(=O)C(C)C)sc32)cc1 ZINC000035989092 569743798 /nfs/dbraw/zinc/74/37/98/569743798.db2.gz OGDNBTHZGIVAPG-UHFFFAOYSA-N 0 0 462.575 4.265 50 0 JIAARN COCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000035990326 569744058 /nfs/dbraw/zinc/74/40/58/569744058.db2.gz GNFPQOJUOGPAFO-UHFFFAOYSA-N 0 0 490.995 4.195 50 0 JIAARN CCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000035990236 569744086 /nfs/dbraw/zinc/74/40/86/569744086.db2.gz IQSVDFMKQSLHHV-UHFFFAOYSA-N 0 0 458.541 4.096 50 0 JIAARN CCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000035990310 569744098 /nfs/dbraw/zinc/74/40/98/569744098.db2.gz HQPUWFVVLLUKLG-UHFFFAOYSA-N 0 0 478.959 4.441 50 0 JIAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000097104869 569744113 /nfs/dbraw/zinc/74/41/13/569744113.db2.gz RLPGXIMTRFDEPY-HSZRJFAPSA-N 0 0 482.558 4.261 50 0 JIAARN COc1ccc(-n2ncc3c2nc(C2CC2)nc3N2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000035992368 569744925 /nfs/dbraw/zinc/74/49/25/569744925.db2.gz UNDZHLQVHDWFMV-UHFFFAOYSA-N 0 0 469.549 4.056 50 0 JIAARN O=C(c1cccc(F)c1)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000036002174 569746230 /nfs/dbraw/zinc/74/62/30/569746230.db2.gz SDGKFDITMNMFTI-UHFFFAOYSA-N 0 0 476.943 4.448 50 0 JIAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)Nc5ccc(Cl)c(C)c5)CC4)c3CO2)cc1 ZINC000097943821 569746718 /nfs/dbraw/zinc/74/67/18/569746718.db2.gz MGSCEBYURXRTHX-QHCPKHFHSA-N 0 0 493.995 4.311 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCCN(C(=O)C2CC2)CC1 ZINC000036005820 569747353 /nfs/dbraw/zinc/74/73/53/569747353.db2.gz DKZOFGFAXCOUDX-UHFFFAOYSA-N 0 0 480.584 4.009 50 0 JIAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000036006797 569747689 /nfs/dbraw/zinc/74/76/89/569747689.db2.gz WSZRXGVCBNKJJM-UHFFFAOYSA-N 0 0 475.376 4.330 50 0 JIAARN Cc1cccc([C@@H]2c3cccn3CCN2C(=O)CC(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000036009963 569748030 /nfs/dbraw/zinc/74/80/30/569748030.db2.gz GBWBJBADSLKAJX-XMMPIXPASA-N 0 0 455.480 4.453 50 0 JIAARN CCC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1)Cc1ccccc1 ZINC000036013170 569748433 /nfs/dbraw/zinc/74/84/33/569748433.db2.gz UQGIEJYVQQHYQP-UHFFFAOYSA-N 0 0 498.627 4.335 50 0 JIAARN CCOc1cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000097987478 569748583 /nfs/dbraw/zinc/74/85/83/569748583.db2.gz SDBRFQAVIMZFCS-HYARGMPZSA-N 0 0 480.561 4.463 50 0 JIAARN Cc1ccc(C(=O)N2CCC3(CC2)N[C@H](Cc2ccccc2)C(=O)N3Cc2ccc(F)cc2)cc1 ZINC000036014079 569748874 /nfs/dbraw/zinc/74/88/74/569748874.db2.gz BYPYOEBUCBHDJZ-AREMUKBSSA-N 0 0 471.576 4.310 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)/C(=C\c2ccc(C(=O)OC)cc2)C(=O)N3)cc1 ZINC000097998533 569749120 /nfs/dbraw/zinc/74/91/20/569749120.db2.gz JLHGXXVXGXAXGF-HYARGMPZSA-N 0 0 478.526 4.165 50 0 JIAARN 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/nfs/dbraw/zinc/86/87/23/569868723.db2.gz OSGPHNZMRJECBR-AHWVRZQESA-N 0 0 461.537 4.349 50 0 JIAARN O=C(NCc1cccnc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000169677894 569869034 /nfs/dbraw/zinc/86/90/34/569869034.db2.gz KBXHNWQQKMHFMX-YKSBVNFPSA-N 0 0 484.497 4.423 50 0 JIAARN CCOc1ccc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cc1OCC ZINC000169753513 569871616 /nfs/dbraw/zinc/87/16/16/569871616.db2.gz NTXCVDSMWRHMLY-HXUWFJFHSA-N 0 0 452.530 4.412 50 0 JIAARN O=C(Cc1ccccc1Br)N[C@H]1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000169753504 569871634 /nfs/dbraw/zinc/87/16/34/569871634.db2.gz XMCXNJNTQBHBNS-SFHVURJKSA-N 0 0 457.347 4.306 50 0 JIAARN COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)Cc4ccccc4Br)C3)n[nH]2)cc1 ZINC000169753901 569871676 /nfs/dbraw/zinc/87/16/76/569871676.db2.gz PVQMBCZFURUXQS-GOSISDBHSA-N 0 0 469.383 4.176 50 0 JIAARN C[C@H](CNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1)c1ccccc1 ZINC000169758598 569871983 /nfs/dbraw/zinc/87/19/83/569871983.db2.gz JJEYODWHSYSJMZ-CLOONOSVSA-N 0 0 490.579 4.066 50 0 JIAARN O=C(NCc1cccc(Cl)c1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 ZINC000169758587 569871994 /nfs/dbraw/zinc/87/19/94/569871994.db2.gz FOJUZSHURJJDFV-HSZRJFAPSA-N 0 0 496.970 4.116 50 0 JIAARN CC(C)c1ccc(CNC(=O)C2CCN(C(=O)c3ncn4c3CO[C@H](c3ccccc3)C4)CC2)cc1 ZINC000169758684 569872042 /nfs/dbraw/zinc/87/20/42/569872042.db2.gz XLTIUCZOXNTASE-SANMLTNESA-N 0 0 486.616 4.447 50 0 JIAARN Cc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCCC5=CCCCC5)CC4)c3CO2)cc1 ZINC000169758908 569872203 /nfs/dbraw/zinc/87/22/03/569872203.db2.gz VAOCDGUICVBIIW-RUZDIDTESA-N 0 0 476.621 4.322 50 0 JIAARN O=C(NCc1cccc(F)c1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(Cl)cc2)C3)CC1 ZINC000169759011 569872254 /nfs/dbraw/zinc/87/22/54/569872254.db2.gz NLLKPGSGUIFQCK-QHCPKHFHSA-N 0 0 496.970 4.116 50 0 JIAARN Cc1ccc(N2CCN(C(=O)c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)CC2)c(C)c1 ZINC000169760328 569872325 /nfs/dbraw/zinc/87/23/25/569872325.db2.gz XVXOEJDNIHIEBW-XMMPIXPASA-N 0 0 450.970 4.387 50 0 JIAARN O=C(Nc1ccc(F)c(F)c1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 ZINC000169775290 569872442 /nfs/dbraw/zinc/87/24/42/569872442.db2.gz ABWNIBRIAKPKDK-JOCHJYFZSA-N 0 0 484.478 4.063 50 0 JIAARN COc1ccc(-c2cc(C(=O)N[C@H](CCSC)c3nc4ccccc4[nH]3)[nH]n2)cc1OC ZINC000223221625 569903910 /nfs/dbraw/zinc/90/39/10/569903910.db2.gz BFBWYIUIERBFAB-QGZVFWFLSA-N 0 0 451.552 4.194 50 0 JIAARN CSCC[C@H](NC(=O)[C@H](C)c1ccc(C[C@H]2CCCC2=O)cc1)c1nnc2ccccn21 ZINC000223242081 569904666 /nfs/dbraw/zinc/90/46/66/569904666.db2.gz MPYBXZNJEAIJIR-UIFIKXQLSA-N 0 0 450.608 4.355 50 0 JIAARN CCOc1ccc(-n2c(=O)c3[nH]cc(-c4ccccc4)c3nc2SCC(=O)NC(C)C)cc1 ZINC000225540739 570004001 /nfs/dbraw/zinc/00/40/01/570004001.db2.gz UZKABYMDLFEHLP-UHFFFAOYSA-N 0 0 462.575 4.396 50 0 JIAARN CCOc1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)ccc1Br ZINC000225541573 570004088 /nfs/dbraw/zinc/00/40/88/570004088.db2.gz HMXLEWOKWCFGTR-UHFFFAOYSA-N 0 0 473.820 4.321 50 0 JIAARN COc1ccc(C(=O)c2coc3ccc(OCC(=O)N4CCn5c6ccccc6nc54)cc23)cc1 ZINC000226848445 570038974 /nfs/dbraw/zinc/03/89/74/570038974.db2.gz ZCGOJSMQDYGJMW-UHFFFAOYSA-N 0 0 467.481 4.448 50 0 JIAARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2C)ccc1OCc1ccccc1 ZINC000226881040 570039083 /nfs/dbraw/zinc/03/90/83/570039083.db2.gz BFMSMHRGUKVFKZ-JIMJEQGWSA-N 0 0 472.541 4.136 50 0 JIAARN COc1ccc(-c2noc([C@H](NC(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)C(C)C)n2)cc1 ZINC000227156486 570040180 /nfs/dbraw/zinc/04/01/80/570040180.db2.gz MUXGVTXBIJYWMI-JOCHJYFZSA-N 0 0 476.489 4.299 50 0 JIAARN O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN21 ZINC000229893364 570041835 /nfs/dbraw/zinc/04/18/35/570041835.db2.gz JAFDGZSPSJQGBP-XUJYPJAKSA-N 0 0 486.531 4.357 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)C1 ZINC000230076596 570044392 /nfs/dbraw/zinc/04/43/92/570044392.db2.gz CDGGDDLJRHABSP-YSZBQJHXSA-N 0 0 468.619 4.487 50 0 JIAARN 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O=c1[nH]c2c(s1)C1(CCCCC1)[C@@H]1[C@H]3C[C@@H]([C@@H]1S2)[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)[C@@H]31 ZINC000238923573 570047827 /nfs/dbraw/zinc/04/78/27/570047827.db2.gz OWEJXHLHUPFABP-ZKZVPCBQSA-N 0 0 470.591 4.323 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000238950697 570048361 /nfs/dbraw/zinc/04/83/61/570048361.db2.gz ZJEGTPIKQQCQIL-WXFUMESZSA-N 0 0 456.498 4.223 50 0 JIAARN Cc1ccccc1[C@@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1S(=O)(=O)c1ccccc1C ZINC000242191386 570053661 /nfs/dbraw/zinc/05/36/61/570053661.db2.gz XFCKPMLHHZTIIC-QHCPKHFHSA-N 0 0 483.615 4.215 50 0 JIAARN COc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000242389520 570053776 /nfs/dbraw/zinc/05/37/76/570053776.db2.gz ZXYJWMFLVAGWNM-APWZRJJASA-N 0 0 460.621 4.225 50 0 JIAARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1nc2n(n1)[C@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2 ZINC000244764171 570054267 /nfs/dbraw/zinc/05/42/67/570054267.db2.gz PCOJKVRIJLMSTL-SBHAEUEKSA-N 0 0 457.921 4.443 50 0 JIAARN COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000245241103 570058297 /nfs/dbraw/zinc/05/82/97/570058297.db2.gz XKVRYPUYMSLVKR-OGHKIJNOSA-N 0 0 460.578 4.155 50 0 JIAARN COc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245247523 570059383 /nfs/dbraw/zinc/05/93/83/570059383.db2.gz UOMFBAXXSKTNLL-VZTVMPNDSA-N 0 0 482.511 4.397 50 0 JIAARN O=C(C1=C2C(O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12)c1ccc(F)cc1 ZINC000245247536 570059397 /nfs/dbraw/zinc/05/93/97/570059397.db2.gz VAXCKEORIYXHRH-ODAXIHTASA-N 0 0 491.881 4.380 50 0 JIAARN O=C(C1=C2C(O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12)c1ccc(F)cc1 ZINC000245247535 570059482 /nfs/dbraw/zinc/05/94/82/570059482.db2.gz VAXCKEORIYXHRH-LUKWVAJMSA-N 0 0 491.881 4.380 50 0 JIAARN CCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245261305 570060862 /nfs/dbraw/zinc/06/08/62/570060862.db2.gz JPSOJHFMHGEFFZ-CAIPPTIRSA-N 0 0 455.599 4.224 50 0 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CCN(C)C(=O)C1CCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247984104 570072115 /nfs/dbraw/zinc/07/21/15/570072115.db2.gz KEFGLAYEAQCUKT-UHFFFAOYSA-N 0 0 455.400 4.478 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C[C@H]2CCCO2)c2nc3c(cccc3C)s2)cc1 ZINC000248025296 570073102 /nfs/dbraw/zinc/07/31/02/570073102.db2.gz NSTGQAWRXNYGIL-CTNGQTDRSA-N 0 0 499.658 4.278 50 0 JIAARN O=c1[nH]c2c(s1)[C@@H](c1ccccc1)[C@@H]1[C@H](S2)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000248071456 570073417 /nfs/dbraw/zinc/07/34/17/570073417.db2.gz YGFJFPYQZCZNIH-DXXZMKCOSA-N 0 0 460.580 4.114 50 0 JIAARN COc1ccc(OC)c(C(=O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)c1 ZINC000248153203 570075652 /nfs/dbraw/zinc/07/56/52/570075652.db2.gz XNTOPXWHZWCKPS-POTDNYQPSA-N 0 0 486.568 4.230 50 0 JIAARN COc1ccc([C@@H]2CCCN2CC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)c(OC)c1 ZINC000248247183 570076792 /nfs/dbraw/zinc/07/67/92/570076792.db2.gz MYATWHDSUZQVNR-GOTSBHOMSA-N 0 0 454.567 4.222 50 0 JIAARN 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DPMVRZMYNQKUHA-UHFFFAOYSA-N 0 0 457.555 4.049 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000001088870 194021781 /nfs/dbraw/zinc/02/17/81/194021781.db2.gz URUFWVAAXYOFNR-UHFFFAOYSA-N 0 0 459.527 4.212 50 0 JIAARN CCOC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2(C(C)=O)c2ccccc21 ZINC000001092955 194022408 /nfs/dbraw/zinc/02/24/08/194022408.db2.gz MFQWHQIUPWZUPN-UDXLVXBTSA-N 0 0 465.505 4.003 50 0 JIAARN Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)OCC(=O)c3ccccc3)c1)C2=O ZINC000001095050 194023013 /nfs/dbraw/zinc/02/30/13/194023013.db2.gz RYIHQNFTWQXQKE-UHFFFAOYSA-N 0 0 450.450 4.384 50 0 biogenic JIAARN CCOC(=O)c1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001106175 194025559 /nfs/dbraw/zinc/02/55/59/194025559.db2.gz UTZMXJSESZTXSD-UHFFFAOYSA-N 0 0 466.559 4.001 50 0 JIAARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3S[C@@H](C)C(=O)N32)ccc1OC(C)=O ZINC000001108436 194026342 /nfs/dbraw/zinc/02/63/42/194026342.db2.gz YYRBAEUBSFLDSP-HJPURHCSSA-N 0 0 494.569 4.403 50 0 JIAARN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000001108516 194026377 /nfs/dbraw/zinc/02/63/77/194026377.db2.gz CRJAYLATAKKCMA-UHFFFAOYSA-N 0 0 492.475 4.311 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2cccc(C(F)(F)F)c2)cc1 ZINC000001108568 194026410 /nfs/dbraw/zinc/02/64/10/194026410.db2.gz CVZCTQIVEAFFOA-UHFFFAOYSA-N 0 0 454.514 4.468 50 0 JIAARN CCn1c(SCC(=O)Nc2ccccc2C)nc2ccc(I)cc2c1=O ZINC000001108427 194026476 /nfs/dbraw/zinc/02/64/76/194026476.db2.gz QABIJOKBPPEHAG-UHFFFAOYSA-N 0 0 479.343 4.060 50 0 JIAARN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)c(Cl)c1)c1ccccc1 ZINC000001077521 194018778 /nfs/dbraw/zinc/01/87/78/194018778.db2.gz JVFXPFRAGGOPRQ-MRXNPFEDSA-N 0 0 450.988 4.207 50 0 JIAARN Nn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1ccc(Cl)cc1 ZINC000001077545 194018805 /nfs/dbraw/zinc/01/88/05/194018805.db2.gz JHANMBADPNMKMW-UHFFFAOYSA-N 0 0 474.718 4.084 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1Cl ZINC000001115617 194029670 /nfs/dbraw/zinc/02/96/70/194029670.db2.gz TZWCYSMSHLJVRW-UHFFFAOYSA-N 0 0 454.932 4.389 50 0 JIAARN COc1ccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c(OC)c1 ZINC000001116406 194030240 /nfs/dbraw/zinc/03/02/40/194030240.db2.gz YVMJFUJMXPPGHX-UHFFFAOYSA-N 0 0 467.758 4.069 50 0 JIAARN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc2c(c1)OCO2 ZINC000001117700 194030845 /nfs/dbraw/zinc/03/08/45/194030845.db2.gz GYFMWXZBTWADQF-UHFFFAOYSA-N 0 0 452.879 4.399 50 0 JIAARN COC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001121915 194034042 /nfs/dbraw/zinc/03/40/42/194034042.db2.gz CHCUOQOAJFOGIO-QGZVFWFLSA-N 0 0 468.531 4.059 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)c2ccc(Cl)cc2)cc1 ZINC000001122092 194034326 /nfs/dbraw/zinc/03/43/26/194034326.db2.gz IZNVHFYVASXYEZ-UHFFFAOYSA-N 0 0 466.893 4.461 50 0 JIAARN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)ccc1OCC(C)C ZINC000001126644 194036568 /nfs/dbraw/zinc/03/65/68/194036568.db2.gz YFRYNXGXZKXMHA-QHCPKHFHSA-N 0 0 453.539 4.395 50 0 JIAARN COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC2CCCC2)c(OC)c1 ZINC000001126890 194036684 /nfs/dbraw/zinc/03/66/84/194036684.db2.gz FOGDUFOESSSHNB-QHCPKHFHSA-N 0 0 495.601 4.235 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)c2cccc(Cl)c2)cc1 ZINC000001127486 194036945 /nfs/dbraw/zinc/03/69/45/194036945.db2.gz ITQQHALTPZJQAA-UHFFFAOYSA-N 0 0 466.893 4.461 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N(C(=O)c2ccncc2)c2ccc(OC(=O)c3ccncc3)cc2)c1 ZINC000001128455 194037784 /nfs/dbraw/zinc/03/77/84/194037784.db2.gz ARPGZLMAHVCJEW-UHFFFAOYSA-N 0 0 487.537 4.348 50 0 JIAARN COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)cc1I ZINC000001128612 194037795 /nfs/dbraw/zinc/03/77/95/194037795.db2.gz RTVYINJEJXMANM-UHFFFAOYSA-N 0 0 460.724 4.388 50 0 JIAARN CCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1Cl ZINC000001129101 194038037 /nfs/dbraw/zinc/03/80/37/194038037.db2.gz GGZWUNCXMLNRFK-ZIAGYGMSSA-N 0 0 487.405 4.442 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000001145873 194047565 /nfs/dbraw/zinc/04/75/65/194047565.db2.gz POAUQVNWBSEBIA-UHFFFAOYSA-N 0 0 482.558 4.014 50 0 JIAARN COc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC ZINC000001147356 194048703 /nfs/dbraw/zinc/04/87/03/194048703.db2.gz HXDQPPAEDICDJL-UHFFFAOYSA-N 0 0 478.929 4.330 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000001130088 194038571 /nfs/dbraw/zinc/03/85/71/194038571.db2.gz PLKALCSOLNUNPO-MRXNPFEDSA-N 0 0 459.365 4.313 50 0 JIAARN O=C(CSc1nnc(NC(=O)c2ccccc2Br)s1)Nc1ccc(F)cc1 ZINC000001147636 194048791 /nfs/dbraw/zinc/04/87/91/194048791.db2.gz JMZOCBTUBSMVIF-UHFFFAOYSA-N 0 0 467.345 4.423 50 0 JIAARN COc1ccc(S(=O)(=O)N(C(=O)c2ccncc2)c2ccc3oc(C)c(C(C)=O)c3c2)cc1 ZINC000001133902 194040739 /nfs/dbraw/zinc/04/07/39/194040739.db2.gz NONLMVQMOKSELU-UHFFFAOYSA-N 0 0 464.499 4.383 50 0 JIAARN CC(=O)c1cccc(NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001135452 194041871 /nfs/dbraw/zinc/04/18/71/194041871.db2.gz CQAMCCGYOIZTRM-UHFFFAOYSA-N 0 0 450.560 4.336 50 0 JIAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000001139448 194043880 /nfs/dbraw/zinc/04/38/80/194043880.db2.gz KTRPCZBUJRLFGG-LJQANCHMSA-N 0 0 479.602 4.433 50 0 JIAARN CC[C@@H](Sc1nnc(-c2cccc(NC(C)=O)c2)n1C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000001142284 194045399 /nfs/dbraw/zinc/04/53/99/194045399.db2.gz VYQDBTXJEZTFLG-HXUWFJFHSA-N 0 0 451.552 4.153 50 0 JIAARN COc1ccc(OC)c(NC(=S)N[C@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)c1 ZINC000001170425 194059213 /nfs/dbraw/zinc/05/92/13/194059213.db2.gz SWTSRCBNMPGBPA-KRWDZBQOSA-N 0 0 476.813 4.425 50 0 JIAARN CC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000001149870 194050025 /nfs/dbraw/zinc/05/00/25/194050025.db2.gz BWPUBQFIXKZWFJ-QGZVFWFLSA-N 0 0 452.532 4.475 50 0 JIAARN CCOc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000001150560 194050471 /nfs/dbraw/zinc/05/04/71/194050471.db2.gz WZYXNQVXNPEUGH-UHFFFAOYSA-N 0 0 454.548 4.236 50 0 JIAARN Cc1cccc(CN(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001155389 194052474 /nfs/dbraw/zinc/05/24/74/194052474.db2.gz ZWLRKVGTTFVNMM-UHFFFAOYSA-N 0 0 469.006 4.424 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC000001164124 194056481 /nfs/dbraw/zinc/05/64/81/194056481.db2.gz IDUIYMSDMRHIPX-UHFFFAOYSA-N 0 0 476.904 4.407 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000001196516 194067431 /nfs/dbraw/zinc/06/74/31/194067431.db2.gz BCWLRVJHWNOCJZ-NRFANRHFSA-N 0 0 465.600 4.441 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000001198096 194068098 /nfs/dbraw/zinc/06/80/98/194068098.db2.gz RUSUMFCOLPCDLM-UHFFFAOYSA-N 0 0 484.599 4.338 50 0 JIAARN COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000001203325 194069306 /nfs/dbraw/zinc/06/93/06/194069306.db2.gz ZSDLDJMVVKGZGN-UHFFFAOYSA-N 0 0 454.548 4.155 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000001189041 194065559 /nfs/dbraw/zinc/06/55/59/194065559.db2.gz FXKAKFWBPOANSU-UHFFFAOYSA-N 0 0 468.531 4.060 50 0 JIAARN O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1nc2ccc(Br)cc2s1 ZINC000001282771 194081613 /nfs/dbraw/zinc/08/16/13/194081613.db2.gz BFFBEEQIWJDTBL-UHFFFAOYSA-N 0 0 481.788 4.419 50 0 JIAARN COc1cccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(=O)[nH]c(=O)n(-c4ccc(C)cc4)c3N2)c1 ZINC000001315385 194083710 /nfs/dbraw/zinc/08/37/10/194083710.db2.gz DFUQRDZOVHECJQ-UHFFFAOYSA-N 0 0 498.383 4.035 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccccc2SCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000001394747 194114605 /nfs/dbraw/zinc/11/46/05/194114605.db2.gz LTNXQHXCCZJPKH-UHFFFAOYSA-N 0 0 497.642 4.363 50 0 JIAARN O=C(c1ccc(Cl)cc1)C(Br)(Br)n1ncc(Cl)c(Cl)c1=O ZINC000001405541 194115746 /nfs/dbraw/zinc/11/57/46/194115746.db2.gz JYMJOGISIGDZTB-UHFFFAOYSA-N 0 0 475.351 4.487 50 0 JIAARN COc1ccc(COn2c3ccccc3[n+]([O-])c(-c3cccc4ccccc43)c2=O)cc1OC ZINC000001410155 194116563 /nfs/dbraw/zinc/11/65/63/194116563.db2.gz JFLQNFQOLQUMKW-UHFFFAOYSA-N 0 0 454.482 4.101 50 0 JIAARN Cc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)Nc1ccc2c(c1)OCO2)C(C)C ZINC000001418907 194117597 /nfs/dbraw/zinc/11/75/97/194117597.db2.gz KYYSNCVYRZDGFC-MHZLTWQESA-N 0 0 499.571 4.161 50 0 JIAARN O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)c(Cl)cc1Cl ZINC000001424440 194118548 /nfs/dbraw/zinc/11/85/48/194118548.db2.gz VNSSXSZZSDXBEP-ZDUSSCGKSA-N 0 0 463.770 4.356 50 0 JIAARN COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1cccc(OC)c1OC ZINC000001459639 194124023 /nfs/dbraw/zinc/12/40/23/194124023.db2.gz QQTQQMFNRBEDPZ-UHFFFAOYSA-N 0 0 457.910 4.070 50 0 JIAARN O=C1NC(c2cc(I)ccc2Cl)=N/C1=C/c1ccc(Br)o1 ZINC000001446266 194122577 /nfs/dbraw/zinc/12/25/77/194122577.db2.gz ZJYNIBAUHPWHPN-IZZDOVSWSA-N 0 0 477.483 4.218 50 0 JIAARN Cc1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000001446419 194122639 /nfs/dbraw/zinc/12/26/39/194122639.db2.gz UDQLDLAXANBGEC-UHFFFAOYSA-N 0 0 459.333 4.198 50 0 biogenic JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000001836420 194148768 /nfs/dbraw/zinc/14/87/68/194148768.db2.gz FWLBJRBDOQEWCF-CBYYHRJHSA-N 0 0 485.609 4.403 50 0 JIAARN CCc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc(CCCO)nn32)cc1 ZINC000001890620 194152729 /nfs/dbraw/zinc/15/27/29/194152729.db2.gz HFYNHKPWKISODW-QFIPXVFZSA-N 0 0 451.958 4.346 50 0 JIAARN COc1cccc(NC(=O)c2c(C(=O)Nc3cccc(C)c3C)sc3nc(C)cc(=O)n32)c1 ZINC000001907010 194154853 /nfs/dbraw/zinc/15/48/53/194154853.db2.gz FQGAWEGINLMLPC-UHFFFAOYSA-N 0 0 462.531 4.194 50 0 JIAARN COC(=O)[C@](O)(c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(C)c1)C(F)(F)F ZINC000002289276 194159318 /nfs/dbraw/zinc/15/93/18/194159318.db2.gz YPHKJTHYLVJHBK-GOSISDBHSA-N 0 0 495.306 4.352 50 0 JIAARN CC1(C)Cc2c3c(N)c(C(=O)Nc4cccc(Cl)c4)sc3nc(N3CCOCC3)c2CO1 ZINC000002374280 194160166 /nfs/dbraw/zinc/16/01/66/194160166.db2.gz HDWBAORSRFVPRY-UHFFFAOYSA-N 0 0 472.998 4.472 50 0 JIAARN COc1cc2c(cc1OC)n(Cc1ccccc1C)cc(S(=O)(=O)c1ccc(F)cc1)c2=O ZINC000002691982 194163769 /nfs/dbraw/zinc/16/37/69/194163769.db2.gz WTSOXOSYNZEFAW-UHFFFAOYSA-N 0 0 467.518 4.347 50 0 JIAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@H](C)NC(=O)c1ccccc1F ZINC000002867020 194166950 /nfs/dbraw/zinc/16/69/50/194166950.db2.gz VLMVYCNUGSKKDD-ZDUSSCGKSA-N 0 0 491.976 4.321 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2nc3nnc(C)c-3c(N)n2-c2cc(Cl)ccc2C)c1 ZINC000002926942 194171975 /nfs/dbraw/zinc/17/19/75/194171975.db2.gz YXERZMQEMAIGFT-UHFFFAOYSA-N 0 0 498.996 4.246 50 0 JIAARN Cc1nnc2nc(SCC(=O)NCCC3=CCCCC3)n(-c3cccc(Cl)c3)c(N)c1-2 ZINC000002927372 194172377 /nfs/dbraw/zinc/17/23/77/194172377.db2.gz AJSFMGOFSUNJGX-UHFFFAOYSA-N 0 0 457.003 4.289 50 0 JIAARN Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4cccnc43)C2)ccc1Br ZINC000002929187 194173353 /nfs/dbraw/zinc/17/33/53/194173353.db2.gz ZIBDLPJYGAOQRL-QGZVFWFLSA-N 0 0 488.407 4.345 50 0 JIAARN Cc1cc(=O)nc2c3ccccc3n([C@@H](C)C(=O)Nc3c(F)cc(F)cc3Br)n21 ZINC000002948025 194176541 /nfs/dbraw/zinc/17/65/41/194176541.db2.gz LZSTXMCKOVARDM-NSHDSACASA-N 0 0 461.266 4.198 50 0 JIAARN O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cccc(I)c1 ZINC000002982015 194194056 /nfs/dbraw/zinc/19/40/56/194194056.db2.gz OHUJJVFLEYBBJE-UHFFFAOYSA-N 0 0 465.360 4.408 50 0 JIAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(C)C)C(=O)N32)c(OC)c1 ZINC000002964511 194183724 /nfs/dbraw/zinc/18/37/24/194183724.db2.gz ZAONPPDFNVAQRS-LJQANCHMSA-N 0 0 466.563 4.080 50 0 JIAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)c3ccccc3)N2C1=O)NC1CCCCC1 ZINC000002967643 194185420 /nfs/dbraw/zinc/18/54/20/194185420.db2.gz LUOHQKMDOHHWSS-JOCHJYFZSA-N 0 0 488.613 4.490 50 0 JIAARN CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000002988563 194196098 /nfs/dbraw/zinc/19/60/98/194196098.db2.gz SKPOEMCOPPOTFP-UHFFFAOYSA-N 0 0 481.854 4.462 50 0 JIAARN CCOc1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000002989322 194196293 /nfs/dbraw/zinc/19/62/93/194196293.db2.gz HKFMFINEWVXWLD-UHFFFAOYSA-N 0 0 472.994 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COc1ccc2c(c1)CCC[C@]21NC(=O)N([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1=O ZINC000012815027 195146610 /nfs/dbraw/zinc/14/66/10/195146610.db2.gz MGVOUMHCKUGSOX-JMQGSBJISA-N 0 0 469.541 4.473 50 0 JIAARN Cc1nn(-c2ccc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)cc2)c(C)c1Cl ZINC000012816318 195147057 /nfs/dbraw/zinc/14/70/57/195147057.db2.gz SKQUBLLULOWSSG-QFIPXVFZSA-N 0 0 456.949 4.085 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)Cn2cnc3cc(-c4ccc(Br)cc4)sc3c2=O)c1 ZINC000012817367 195147648 /nfs/dbraw/zinc/14/76/48/195147648.db2.gz ULBOGXSKOCFMBH-UHFFFAOYSA-N 0 0 497.374 4.485 50 0 JIAARN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)c1cccc(Cl)c1 ZINC000012820819 195149098 /nfs/dbraw/zinc/14/90/98/195149098.db2.gz AJZFAWXEVPXOEK-KFWWJZLASA-N 0 0 471.406 4.282 50 0 JIAARN CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2cccc(C)c2NC(=O)c2ccco2)cc1 ZINC000012839559 195151418 /nfs/dbraw/zinc/15/14/18/195151418.db2.gz VASHKAHDHTYVBA-UHFFFAOYSA-N 0 0 477.517 4.118 50 0 JIAARN Cc1cccc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CCCC2)c1NC(=O)c1ccco1 ZINC000012839643 195151451 /nfs/dbraw/zinc/15/14/51/195151451.db2.gz IZIBCPSYJUATNP-UHFFFAOYSA-N 0 0 489.528 4.308 50 0 JIAARN O=C(CN[C@@H](c1cccs1)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000012850287 195154490 /nfs/dbraw/zinc/15/44/90/195154490.db2.gz HOGVTEBWKRHADE-XMMPIXPASA-N 0 0 469.632 4.240 50 0 JIAARN COc1ccccc1OCCNC(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1 ZINC000012852485 195155207 /nfs/dbraw/zinc/15/52/07/195155207.db2.gz FPUJFIMBWNBJCV-IBGZPJMESA-N 0 0 489.597 4.302 50 0 JIAARN Cc1ccccc1OCc1nc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)n[nH]1 ZINC000012854147 195156383 /nfs/dbraw/zinc/15/63/83/195156383.db2.gz XBXSDTIIHIXYND-UHFFFAOYSA-N 0 0 465.579 4.095 50 0 JIAARN Cc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1S(=O)(=O)N1CCCCCC1 ZINC000012854307 195156496 /nfs/dbraw/zinc/15/64/96/195156496.db2.gz FMOWZXVTOPTMBL-FQEVSTJZSA-N 0 0 489.663 4.255 50 0 JIAARN Cc1cccc2sc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Br)s3)nc21 ZINC000012858239 195158567 /nfs/dbraw/zinc/15/85/67/195158567.db2.gz KPQAGYWBXQBWOP-NSHDSACASA-N 0 0 486.438 4.221 50 0 JIAARN CCOC(=O)[C@H](C(=O)NCCc1c[nH]c2ccccc12)c1ncc(C(F)(F)F)cc1Cl ZINC000012859074 195158775 /nfs/dbraw/zinc/15/87/75/195158775.db2.gz VHKFQMZZPLPJST-KRWDZBQOSA-N 0 0 453.848 4.241 50 0 JIAARN Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)nn1-c1cccc(C(F)(F)F)c1 ZINC000012859378 195158844 /nfs/dbraw/zinc/15/88/44/195158844.db2.gz AONUOCGWXJMPEO-UHFFFAOYSA-N 0 0 490.913 4.171 50 0 JIAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012867957 195162247 /nfs/dbraw/zinc/16/22/47/195162247.db2.gz GFPJQPQFUBLKOG-UHFFFAOYSA-N 0 0 494.400 4.114 50 0 JIAARN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000012872549 195164334 /nfs/dbraw/zinc/16/43/34/195164334.db2.gz SBURZDFPMKNMGZ-CZYYLBMZSA-N 0 0 476.610 4.395 50 0 biogenic JIAARN C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012873362 195164706 /nfs/dbraw/zinc/16/47/06/195164706.db2.gz VLVOSHAJUUBBDT-FKIZINRSSA-N 0 0 450.438 4.205 50 0 JIAARN CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)s1 ZINC000012876131 195166097 /nfs/dbraw/zinc/16/60/97/195166097.db2.gz IOTSWTZIIJESBR-CQSZACIVSA-N 0 0 495.823 4.115 50 0 JIAARN CSCC[C@@H](NC(=O)Cc1c(C)c2c3oc(C)c(C)c3c(C)cc2oc1=O)C(=O)NCC(C)C ZINC000012890307 195172507 /nfs/dbraw/zinc/17/25/07/195172507.db2.gz AMKHMNVEEVGRFL-LJQANCHMSA-N 0 0 486.634 4.325 50 0 biogenic JIAARN O=C(COc1ccc(Br)cc1Br)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000012894082 195174445 /nfs/dbraw/zinc/17/44/45/195174445.db2.gz XGFSSSDVFRUXQX-UHFFFAOYSA-N 0 0 456.134 4.037 50 0 JIAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C ZINC000012896872 195175619 /nfs/dbraw/zinc/17/56/19/195175619.db2.gz ZSYMGXILPBGHLA-UHFFFAOYSA-N 0 0 483.516 4.378 50 0 JIAARN C[C@H]1CCc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000012863138 195160283 /nfs/dbraw/zinc/16/02/83/195160283.db2.gz YVSUYFWMSBLHJE-IBGZPJMESA-N 0 0 452.620 4.334 50 0 JIAARN COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3ccccc3OC)C2=O)cc1 ZINC000012864485 195161057 /nfs/dbraw/zinc/16/10/57/195161057.db2.gz WAYXGENWNRRNBU-SVEHJYQDSA-N 0 0 495.579 4.113 50 0 biogenic JIAARN C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000012906472 195179749 /nfs/dbraw/zinc/17/97/49/195179749.db2.gz QWRWXGRICOLAOK-ACJLOTCBSA-N 0 0 471.804 4.133 50 0 JIAARN COc1ccc(OC)c([C@H](C)NC(=O)CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 ZINC000012906491 195180049 /nfs/dbraw/zinc/18/00/49/195180049.db2.gz VIIHIDQCFIBCMH-INIZCTEOSA-N 0 0 473.591 4.445 50 0 JIAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012907195 195180260 /nfs/dbraw/zinc/18/02/60/195180260.db2.gz CURZXMRZCAWRRO-UHFFFAOYSA-N 0 0 498.933 4.466 50 0 JIAARN CC[C@H](C(=O)Nc1c(C)nn(Cc2cn(CC)nc2C)c1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607566 195181468 /nfs/dbraw/zinc/18/14/68/195181468.db2.gz DFRBFZVXRVTOFK-GOSISDBHSA-N 0 0 477.535 4.367 50 0 JIAARN COC(=O)c1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(C)c(F)c2)cc1 ZINC000020617208 195188903 /nfs/dbraw/zinc/18/89/03/195188903.db2.gz FPLNAFFRCYEPGB-JVCXMKTPSA-N 0 0 475.476 4.347 50 0 JIAARN O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[NH+]1CCN(CCc2ccncc2)CC1 ZINC000020676780 195201476 /nfs/dbraw/zinc/20/14/76/195201476.db2.gz RXRSBMOVDMPJOM-MHZLTWQESA-N 0 0 470.573 4.128 50 0 JIAARN O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc21)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000020722916 195206700 /nfs/dbraw/zinc/20/67/00/195206700.db2.gz XUPOHJHOIKYWFL-SFHVURJKSA-N 0 0 483.288 4.292 50 0 JIAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Br)cc2F)c1 ZINC000020728407 195209013 /nfs/dbraw/zinc/20/90/13/195209013.db2.gz HBQAMTVVDXHUAS-LJQANCHMSA-N 0 0 473.302 4.278 50 0 JIAARN O=C(CN1C(=O)/C(=C\c2ccccc2Br)Oc2ccccc21)NCc1ccco1 ZINC000020733047 195211275 /nfs/dbraw/zinc/21/12/75/195211275.db2.gz RFFBSESWRPLVPC-UDWIEESQSA-N 0 0 453.292 4.125 50 0 JIAARN COc1ccc(CCNC(=O)c2nn(-c3ccccc3)c3c2Cc2cc(OC)c(OC)cc2-3)cc1 ZINC000020735629 195212419 /nfs/dbraw/zinc/21/24/19/195212419.db2.gz COHYMIPRTPFHLM-UHFFFAOYSA-N 0 0 469.541 4.442 50 0 JIAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)Sc1nnc(C(F)(F)F)n1N ZINC000020817822 195229454 /nfs/dbraw/zinc/22/94/54/195229454.db2.gz NQSGPEABEDSSNX-JTQLQIEISA-N 0 0 485.513 4.035 50 0 JIAARN CC1=CC2=N[C@@](Cc3ccc(Br)cc3)(NC(=O)c3cccc(Cl)c3)C(=O)N2C=C1 ZINC000020849668 195230874 /nfs/dbraw/zinc/23/08/74/195230874.db2.gz YUXVATCTGFVSEI-QFIPXVFZSA-N 0 0 470.754 4.486 50 0 JIAARN COc1cc(C(=O)Oc2ccc3cc(-c4csc(C)n4)c(=O)oc3c2)cc(OC)c1OC ZINC000020744990 195214871 /nfs/dbraw/zinc/21/48/71/195214871.db2.gz YLYUQRZNJPHTCH-UHFFFAOYSA-N 0 0 453.472 4.470 50 0 JIAARN CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000020766852 195222022 /nfs/dbraw/zinc/22/20/22/195222022.db2.gz HBTKNCXJIAUIMD-UHFFFAOYSA-N 0 0 488.588 4.072 50 0 JIAARN CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nnc2sc3ccccc3n12 ZINC000020851816 195231558 /nfs/dbraw/zinc/23/15/58/195231558.db2.gz HKRAZJUGSWZRAF-UHFFFAOYSA-N 0 0 462.578 4.233 50 0 JIAARN CSc1ccccc1C(=O)NCc1c(C)ncc2c1CCN(Cc1c(C)nn(C)c1Cl)C2 ZINC000020780662 195224648 /nfs/dbraw/zinc/22/46/48/195224648.db2.gz CLMMUQYPOMODOT-UHFFFAOYSA-N 0 0 470.042 4.296 50 0 JIAARN Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000020893896 195238706 /nfs/dbraw/zinc/23/87/06/195238706.db2.gz XDNRDBWKGAMFLZ-UHFFFAOYSA-N 0 0 474.380 4.187 50 0 JIAARN COc1cc(C(=O)n2nc(-c3ccco3)nc2NCc2ccc(F)cc2)cc(OC)c1OC ZINC000020894616 195238962 /nfs/dbraw/zinc/23/89/62/195238962.db2.gz FUAIABIMYHDQON-UHFFFAOYSA-N 0 0 452.442 4.004 50 0 JIAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 ZINC000020895379 195239301 /nfs/dbraw/zinc/23/93/01/195239301.db2.gz LFBHCUWHDZIVHW-JOCHJYFZSA-N 0 0 491.997 4.424 50 0 JIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(OCCCOc3ccc(Cl)c(C)c3)cc2)S1 ZINC000020895693 195239570 /nfs/dbraw/zinc/23/95/70/195239570.db2.gz ZAYVPSGKVDOUMG-OAQYLSRUSA-N 0 0 461.971 4.497 50 0 JIAARN O=S(=O)(c1nnn2c3ccsc3c(NCc3ccccc3)nc12)c1cccc(Cl)c1 ZINC000020922273 195248050 /nfs/dbraw/zinc/24/80/50/195248050.db2.gz LQIVUFAIZOECFC-UHFFFAOYSA-N 0 0 455.952 4.437 50 0 JIAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(NCc4cccc(OC)c4)nc23)cc1 ZINC000020922213 195248095 /nfs/dbraw/zinc/24/80/95/195248095.db2.gz XMSHVIHZWBLRDX-UHFFFAOYSA-N 0 0 479.587 4.355 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2cn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c3ccccc23)c1 ZINC000020922852 195248392 /nfs/dbraw/zinc/24/83/92/195248392.db2.gz BCBMZEVLYCGSTQ-ROUUACIJSA-N 0 0 497.617 4.025 50 0 JIAARN COc1ccccc1CNC(=O)c1cc(Cl)c(NC(=O)C2=C(C)OCCS2)cc1OC ZINC000020919909 195247397 /nfs/dbraw/zinc/24/73/97/195247397.db2.gz JHTZCGZPWQZLKS-UHFFFAOYSA-N 0 0 462.955 4.221 50 0 JIAARN O=C(CN1c2ccccc2Sc2ncccc2C1=O)NCCOC12CC3CC(CC(C3)C1)C2 ZINC000020864707 195234354 /nfs/dbraw/zinc/23/43/54/195234354.db2.gz LSMVLTUCUCUIGS-UHFFFAOYSA-N 0 0 463.603 4.295 50 0 JIAARN Cc1ccc([C@@H]2OCC(C)(C)n3c(-c4ccc(Cl)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)c(O)c1 ZINC000020890483 195236922 /nfs/dbraw/zinc/23/69/22/195236922.db2.gz GQKBQIIEASVAGS-QHCPKHFHSA-N 0 0 479.964 4.228 50 0 JIAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000020927543 195249590 /nfs/dbraw/zinc/24/95/90/195249590.db2.gz DQMBMVPUFYNBAB-JOCHJYFZSA-N 0 0 470.976 4.144 50 0 JIAARN Cc1ccccc1N1C(=O)CN(S(=O)(=O)c2ccccc2)C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000020928645 195249905 /nfs/dbraw/zinc/24/99/05/195249905.db2.gz ZNLKJLBDTOWHDX-HHHXNRCGSA-N 0 0 497.661 4.020 50 0 JIAARN CCc1cc2c(cc1S(=O)(=O)N(C)Cc1cnn(-c3ccccc3)c1)[nH]c1c2C(=O)CCC1 ZINC000020990585 195262256 /nfs/dbraw/zinc/26/22/56/195262256.db2.gz PNJHQXZHDLQLFU-UHFFFAOYSA-N 0 0 462.575 4.256 50 0 JIAARN CCN(C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21)c1ccc(OC)cc1 ZINC000020995181 195263997 /nfs/dbraw/zinc/26/39/97/195263997.db2.gz LEHWAOMVYSVVFM-XMMPIXPASA-N 0 0 489.597 4.186 50 0 JIAARN CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCN(Cc3cccc(C)c3)CC2)c1=O ZINC000020999183 195265341 /nfs/dbraw/zinc/26/53/41/195265341.db2.gz LSTRGGWFOACRHH-UHFFFAOYSA-N 0 0 492.664 4.150 50 0 JIAARN COc1ccc(CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(C)cc2)CCC3)cc1OC ZINC000021042867 195270932 /nfs/dbraw/zinc/27/09/32/195270932.db2.gz SZFQCVBXGLRCNS-UHFFFAOYSA-N 0 0 480.586 4.335 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc([C@H]3CC(=O)N(c4ccc(C)cc4)C3)o2)cc1Cl ZINC000021089356 195274586 /nfs/dbraw/zinc/27/45/86/195274586.db2.gz NFOMKKIEYMJBCR-AWEZNQCLSA-N 0 0 472.954 4.291 50 0 JIAARN O=C(CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1)NCc1ccc(Cl)cc1 ZINC000021117827 195279297 /nfs/dbraw/zinc/27/92/97/195279297.db2.gz OCOGYMRSCBYRBB-UHFFFAOYSA-N 0 0 486.018 4.455 50 0 JIAARN COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c1C ZINC000021138401 195281062 /nfs/dbraw/zinc/28/10/62/195281062.db2.gz QRSXDJHTFXDRBB-GOSISDBHSA-N 0 0 483.908 4.199 50 0 JIAARN COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c1C ZINC000021138404 195281100 /nfs/dbraw/zinc/28/11/00/195281100.db2.gz QRSXDJHTFXDRBB-SFHVURJKSA-N 0 0 483.908 4.199 50 0 JIAARN COc1ccccc1C(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2nc(C)ccc2c1=O ZINC000021151543 195283020 /nfs/dbraw/zinc/28/30/20/195283020.db2.gz IXWISEFHDBAONP-UHFFFAOYSA-N 0 0 455.514 4.200 50 0 JIAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(S(=O)(=O)c1ccc(C(C)C)cc1)CC2 ZINC000021157950 195285255 /nfs/dbraw/zinc/28/52/55/195285255.db2.gz FWLHXXLBQYGGFD-JOCHJYFZSA-N 0 0 475.607 4.459 50 0 JIAARN Cc1ccc(C)c(Cn2c3ccccc3nc2N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)c1 ZINC000021159538 195286275 /nfs/dbraw/zinc/28/62/75/195286275.db2.gz BUBNMQPNUMCCME-UHFFFAOYSA-N 0 0 488.632 4.283 50 0 JIAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1n[nH]c(-c2ccc(CC)cc2)n1 ZINC000021178942 195290880 /nfs/dbraw/zinc/29/08/80/195290880.db2.gz SIWIBQIIAAVBFH-UHFFFAOYSA-N 0 0 451.596 4.312 50 0 JIAARN CCCCn1c(SCC(=O)Nc2nc(CC(=O)OCC)cs2)nc2sc(C)c(C)c2c1=O ZINC000021239928 195292105 /nfs/dbraw/zinc/29/21/05/195292105.db2.gz LWVHBGCGEHBOIA-UHFFFAOYSA-N 0 0 494.664 4.168 50 0 JIAARN CCCn1c(SCc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)nnc1-c1cccc(C)c1 ZINC000021234137 195292119 /nfs/dbraw/zinc/29/21/19/195292119.db2.gz WIBXFOVDBANGCS-UHFFFAOYSA-N 0 0 469.592 4.349 50 0 JIAARN COCCCn1c(C)cc(C(=O)COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1C ZINC000021244504 195292185 /nfs/dbraw/zinc/29/21/85/195292185.db2.gz REFWHDQTNKYIDY-UHFFFAOYSA-N 0 0 472.545 4.429 50 0 JIAARN CCN1CCc2nc(NC(=O)c3nc(-c4cccs4)n(-c4ccc(F)cc4)n3)sc2C1 ZINC000021296951 195293399 /nfs/dbraw/zinc/29/33/99/195293399.db2.gz NVBKHGNLNKVQTN-UHFFFAOYSA-N 0 0 454.556 4.222 50 0 JIAARN Cc1cc(C)cc(N(C(=O)Cn2cnc3c(cnn3C)c2=O)c2nc(-c3ccc(F)cc3)cs2)c1 ZINC000021315611 195294088 /nfs/dbraw/zinc/29/40/88/195294088.db2.gz GJOVEFXATSDADM-UHFFFAOYSA-N 0 0 488.548 4.374 50 0 JIAARN COc1ccc(C(=O)Nc2nnc(SCc3nnc(-c4ccccc4C)o3)s2)cc1OC ZINC000021359180 195298740 /nfs/dbraw/zinc/29/87/40/195298740.db2.gz XVKMZLZZBQSTJP-UHFFFAOYSA-N 0 0 469.548 4.458 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CSc3n[nH]c(=O)n3CCc3ccccc3)[C@H](c3ccco3)C2)cc1 ZINC000021372448 195300389 /nfs/dbraw/zinc/30/03/89/195300389.db2.gz JDKZAOLNYAOLQD-QFIPXVFZSA-N 0 0 487.585 4.186 50 0 JIAARN COc1cccc(-c2nc(CSc3n[nH]c(=O)n3CCc3ccccc3)cs2)c1OC ZINC000021374854 195300425 /nfs/dbraw/zinc/30/04/25/195300425.db2.gz HZBQLYHKLNRUJJ-UHFFFAOYSA-N 0 0 454.577 4.247 50 0 JIAARN C[C@H](Sc1nnc(CN2CCCC2=O)n1-c1ccccn1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000021442657 195301455 /nfs/dbraw/zinc/30/14/55/195301455.db2.gz JIXBKHUTYRGGSM-DUXBZUBYSA-N 0 0 465.623 4.051 50 0 JIAARN Cn1c2c(c(-c3ccccc3)n3c2[C@H](c2cccc(F)c2F)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000021524888 195304400 /nfs/dbraw/zinc/30/44/00/195304400.db2.gz XIWPTFSFHIONSN-QFIPXVFZSA-N 0 0 470.479 4.488 50 0 JIAARN COc1ccc([C@H](CC(=O)N2CCN(Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530537 195308583 /nfs/dbraw/zinc/30/85/83/195308583.db2.gz TZDYEAYRUFEFMO-SANMLTNESA-N 0 0 499.611 4.135 50 0 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/nfs/dbraw/zinc/02/52/78/524025278.db2.gz JDQUUBOBQDSXGV-MEKIYTOJSA-N 0 0 480.337 4.359 50 0 JIAARN COc1ccc(CN2CCN(C(=O)c3cc(-c4cccc5ccccc54)n[nH]3)CC2)c(OC)c1OC ZINC000044838761 524030852 /nfs/dbraw/zinc/03/08/52/524030852.db2.gz ZVIIDFRTRBNHSP-UHFFFAOYSA-N 0 0 486.572 4.214 50 0 JIAARN CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H](N1CCOc3ccc(Cl)cc3C1)CC2 ZINC000014733746 524032463 /nfs/dbraw/zinc/03/24/63/524032463.db2.gz IMVVMEVNQORJMA-OAQYLSRUSA-N 0 0 464.997 4.039 50 0 JIAARN COc1ccc(CN2CCN(Cc3csc(CC(=O)Nc4ccc(C)cc4)n3)CC2)cc1F ZINC000022800239 524033338 /nfs/dbraw/zinc/03/33/38/524033338.db2.gz YRXDOHZDTZYUKU-UHFFFAOYSA-N 0 0 468.598 4.098 50 0 JIAARN CCc1ccc([C@H](C)NC(=O)C2CCN(c3ccc4nnc(-c5ccc(OC)cc5)n4n3)CC2)cc1 ZINC000033260071 524043956 /nfs/dbraw/zinc/04/39/56/524043956.db2.gz IOEREWVWCUYMND-IBGZPJMESA-N 0 0 484.604 4.456 50 0 JIAARN COc1ccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000021882581 524049155 /nfs/dbraw/zinc/04/91/55/524049155.db2.gz 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Cc1cccc(-c2noc(-c3nn(CC(=O)NCc4ccc5c(c4)OCO5)c4ccccc43)n2)c1 ZINC000065111341 524129589 /nfs/dbraw/zinc/12/95/89/524129589.db2.gz PSPBQQJFYYKMOL-UHFFFAOYSA-N 0 0 467.485 4.107 50 0 JIAARN Cc1cccc(-c2noc(CSc3nc4n[nH]cc4c(=O)n3-c3ccc(F)c(F)c3)n2)c1 ZINC000033292221 524134748 /nfs/dbraw/zinc/13/47/48/524134748.db2.gz TXWAWKBEOOZWCC-UHFFFAOYSA-N 0 0 452.446 4.038 50 0 JIAARN Cc1ccc(C)c(NC(=O)COC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1 ZINC000012426809 524137480 /nfs/dbraw/zinc/13/74/80/524137480.db2.gz XXXPFPLGPVVSCV-KRWDZBQOSA-N 0 0 452.454 4.307 50 0 JIAARN Cc1ccc(C)c(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)c1 ZINC000041086147 524151763 /nfs/dbraw/zinc/15/17/63/524151763.db2.gz YEQXOBGWIMEEIY-UHFFFAOYSA-N 0 0 452.565 4.408 50 0 JIAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)C2=O ZINC000022807894 524152776 /nfs/dbraw/zinc/15/27/76/524152776.db2.gz DXXFSKLARWUBHT-XHCCPWGMSA-N 0 0 482.575 4.130 50 0 JIAARN Cc1ccc(C)c(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc32)c1 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C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N(Cc2ccco2)Cc2ccccc2)C1=O ZINC000014184758 525320982 /nfs/dbraw/zinc/32/09/82/525320982.db2.gz FPJKSCRCPPULPM-MUUNZHRXSA-N 0 0 467.525 4.429 50 0 JIAARN Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)nc(-c1ccc(C(=O)NC(C)C)cc1)n2C ZINC000033277054 525336224 /nfs/dbraw/zinc/33/62/24/525336224.db2.gz UORKQEOZDXKDPV-UHFFFAOYSA-N 0 0 462.575 4.488 50 0 JIAARN CSCCC(=O)N(C)[C@H](Cc1ccccc1F)C1CCN(C(=O)COc2ccccc2)CC1 ZINC000014881448 525369233 /nfs/dbraw/zinc/36/92/33/525369233.db2.gz RZLHXVFMSKCTOD-XMMPIXPASA-N 0 0 472.626 4.266 50 0 JIAARN C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n([C@@H](C)c2ccccc2)c1=O)c1ccccc1 ZINC000036085827 525382334 /nfs/dbraw/zinc/38/23/34/525382334.db2.gz DOKSEKQWZNBIDX-MSOLQXFVSA-N 0 0 474.948 4.148 50 0 JIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000016115832 525387966 /nfs/dbraw/zinc/38/79/66/525387966.db2.gz BSXYSUWEWGPJOQ-OKILXGFUSA-N 0 0 462.420 4.493 50 0 JIAARN 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Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)cc1 ZINC000033280359 525715868 /nfs/dbraw/zinc/71/58/68/525715868.db2.gz YOJXNHJUHWMXHE-OAQYLSRUSA-N 0 0 485.632 4.014 50 0 JIAARN COc1cccc(-c2nc(COC(=O)c3nnn(-c4ccc(F)cc4)c3C)c(C)o2)c1OC ZINC000012415817 525724058 /nfs/dbraw/zinc/72/40/58/525724058.db2.gz YMAFOJAPKXDOBG-UHFFFAOYSA-N 0 0 452.442 4.052 50 0 JIAARN COc1cccc(-c2nc3c(c(C(N)=O)n2)n(Cc2ccccc2)c(=O)n3-c2ccc(C)c(C)c2)c1 ZINC000064966058 525726486 /nfs/dbraw/zinc/72/64/86/525726486.db2.gz ZLCGDTIATHMWTB-UHFFFAOYSA-N 0 0 479.540 4.022 50 0 JIAARN Cc1ccc(-c2cc(C(=O)OCC(=O)NCc3ccccc3CN3CCOCC3)c3ccccc3n2)o1 ZINC000021729964 525730312 /nfs/dbraw/zinc/73/03/12/525730312.db2.gz TZZAABJXKKMFMA-UHFFFAOYSA-N 0 0 499.567 4.109 50 0 JIAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCN(C2CCCCC2)CC1 ZINC000033173390 525731165 /nfs/dbraw/zinc/73/11/65/525731165.db2.gz GWIZLFDESBRXHY-UHFFFAOYSA-N 0 0 457.518 4.308 50 0 JIAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000033173383 525731208 /nfs/dbraw/zinc/73/12/08/525731208.db2.gz YSFIUKMYSGKBPA-UHFFFAOYSA-N 0 0 451.470 4.180 50 0 JIAARN Cc1ccc(-c2cc3c4nnc(CCC(=O)N5CCN(c6ccccc6F)CC5)n4ccn3n2)cc1C ZINC000038487178 525740995 /nfs/dbraw/zinc/74/09/95/525740995.db2.gz IGXFPOMLIMQQQU-UHFFFAOYSA-N 0 0 497.578 4.081 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCc3ccccc3C)C2)c1 ZINC000033302619 525743680 /nfs/dbraw/zinc/74/36/80/525743680.db2.gz NYMPDZIBQZHEDF-FQEVSTJZSA-N 0 0 488.613 4.297 50 0 JIAARN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)nn2)cc1C ZINC000048990557 525752129 /nfs/dbraw/zinc/75/21/29/525752129.db2.gz WDXQCTSAFXYDFV-DEOSSOPVSA-N 0 0 455.606 4.326 50 0 JIAARN Cc1ccc(-c2ccc(Nc3ccc(F)cc3Cl)nn2)cc1S(=O)(=O)N1CCOCC1 ZINC000065009489 525754467 /nfs/dbraw/zinc/75/44/67/525754467.db2.gz DEUFWEYXDSFYTF-UHFFFAOYSA-N 0 0 462.934 4.009 50 0 JIAARN COc1cccc(-n2nc(-c3nc(-c4ccc(OC)cc4OC)no3)c3ccccc3c2=O)c1 ZINC000064949721 525755963 /nfs/dbraw/zinc/75/59/63/525755963.db2.gz PNCZHOLKJGRSSR-UHFFFAOYSA-N 0 0 456.458 4.129 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1Cc1ccccc1 ZINC000018583100 525775054 /nfs/dbraw/zinc/77/50/54/525775054.db2.gz SOLVFWTXXMLNNF-QGZVFWFLSA-N 0 0 472.014 4.244 50 0 JIAARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](CC(=O)N1CCCC1)CS2 ZINC000033290355 525778447 /nfs/dbraw/zinc/77/84/47/525778447.db2.gz CASZKRWDDWJFLK-OAHLLOKOSA-N 0 0 494.038 4.122 50 0 JIAARN COc1cccc(C(=O)N(CCN2CCOCC2)Cc2csc(COc3cccc(C)c3C)n2)c1 ZINC000036107151 525791850 /nfs/dbraw/zinc/79/18/50/525791850.db2.gz OCWVWCQOWABSCI-UHFFFAOYSA-N 0 0 495.645 4.322 50 0 JIAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000021808241 525791978 /nfs/dbraw/zinc/79/19/78/525791978.db2.gz XERDASTWPUTDJQ-VWLOTQADSA-N 0 0 465.575 4.295 50 0 JIAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1cccs1 ZINC000021851742 525796520 /nfs/dbraw/zinc/79/65/20/525796520.db2.gz QTLUFFRUEWMCHL-DEOSSOPVSA-N 0 0 452.580 4.458 50 0 JIAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c3ccccc3nc2C(=O)N1Cc1ccccc1Cl ZINC000021862299 525804397 /nfs/dbraw/zinc/80/43/97/525804397.db2.gz JSEKCFCTZUZHAM-SANMLTNESA-N 0 0 458.949 4.421 50 0 JIAARN COc1cccc(C(=O)N2C[C@H](C(=O)NCc3ccc(F)cc3)[C@@H](c3cc(OC)ccc3OC)C2)c1 ZINC000036045542 525810698 /nfs/dbraw/zinc/81/06/98/525810698.db2.gz FYCVDERXDFVSFX-RPBOFIJWSA-N 0 0 492.547 4.024 50 0 JIAARN COc1cccc(C(=O)NC(NC(=O)c2cccc(OC)c2)c2ccc(Br)cc2)c1 ZINC000008763523 525812478 /nfs/dbraw/zinc/81/24/78/525812478.db2.gz BOTJJVAXRMWDJA-UHFFFAOYSA-N 0 0 469.335 4.325 50 0 JIAARN Cc1ccc(-c2nnc(-c3cccc(S(=O)(=O)N4CCN(c5ccccc5)CC4)c3)o2)cc1 ZINC000064987987 525843657 /nfs/dbraw/zinc/84/36/57/525843657.db2.gz FHHMONJUSINYTL-UHFFFAOYSA-N 0 0 460.559 4.223 50 0 JIAARN Cc1ccc([C@@H]2Cc3c(C(=O)N(C)C[C@@H]4COCCO4)c(=O)cc(C)n3-c3ccccc3S2)s1 ZINC000014994770 525859972 /nfs/dbraw/zinc/85/99/72/525859972.db2.gz KBKOUQAOJSZGGJ-KOSHJBKYSA-N 0 0 496.654 4.393 50 0 JIAARN Cc1ccc([C@@H]2c3cc(O[C@@H](C)C(=O)NCCc4ccccn4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000034686697 525867500 /nfs/dbraw/zinc/86/75/00/525867500.db2.gz CAJTVLWJBOPKTC-RBTNQOKQSA-N 0 0 483.612 4.400 50 0 JIAARN Cc1ccc(-c2noc(-c3cn(CC(=O)NC4CCCCC4)c4nc(C)ccc4c3=O)n2)cc1 ZINC000021655334 525871832 /nfs/dbraw/zinc/87/18/32/525871832.db2.gz ZWQFPURZJCUGFF-UHFFFAOYSA-N 0 0 457.534 4.179 50 0 JIAARN Cc1ccc(-c2noc(CN3CCN(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)CC3)n2)cc1 ZINC000022824996 525880396 /nfs/dbraw/zinc/88/03/96/525880396.db2.gz WLIGKOBTXUNPFH-UHFFFAOYSA-N 0 0 484.482 4.432 50 0 JIAARN C[C@@H](OC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)C(=O)Nc1c(F)cccc1F ZINC000018589509 525889381 /nfs/dbraw/zinc/88/93/81/525889381.db2.gz USECTVCEASNAIH-LLVKDONJSA-N 0 0 475.498 4.035 50 0 JIAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C(=O)NCCC1=CCCCC1 ZINC000002640965 525891013 /nfs/dbraw/zinc/89/10/13/525891013.db2.gz FAGZBFTVNNMHNI-IBGZPJMESA-N 0 0 470.591 4.064 50 0 JIAARN 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ZINC000000878902 553814810 /nfs/dbraw/zinc/81/48/10/553814810.db2.gz VNQISAFWGQFBHA-UHFFFAOYSA-N 0 0 461.543 4.386 50 0 JIAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1 ZINC000000885096 553823952 /nfs/dbraw/zinc/82/39/52/553823952.db2.gz VVXRLJDOODMVKB-UHFFFAOYSA-N 0 0 459.365 4.279 50 0 JIAARN CCOc1ccc(OCC)c(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)n2C)c1 ZINC000000892164 553829794 /nfs/dbraw/zinc/82/97/94/553829794.db2.gz JUBQSEVHMCYKHW-UHFFFAOYSA-N 0 0 480.594 4.005 50 0 JIAARN CCOC(=O)CSc1nnc(COc2ccc(Br)cc2)n1Cc1ccccc1 ZINC000000903555 553836671 /nfs/dbraw/zinc/83/66/71/553836671.db2.gz PECBTJSWOQLXNP-UHFFFAOYSA-N 0 0 462.369 4.323 50 0 JIAARN CCOC(=O)c1sc2ncn(CC(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c2c1C ZINC000000936971 553874251 /nfs/dbraw/zinc/87/42/51/553874251.db2.gz FHCZQXZRNCIEAX-UHFFFAOYSA-N 0 0 463.515 4.374 50 0 JIAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)Nc1cccc(C(F)(F)F)c1 ZINC000000950522 553881006 /nfs/dbraw/zinc/88/10/06/553881006.db2.gz MUMGUWBYRXTLID-UHFFFAOYSA-N 0 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O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000000990378 553894651 /nfs/dbraw/zinc/89/46/51/553894651.db2.gz NTMLPPUPMZDPGH-UHFFFAOYSA-N 0 0 457.349 4.453 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2c2ccccc2)c(C)c1 ZINC000001024273 553900753 /nfs/dbraw/zinc/90/07/53/553900753.db2.gz WQMDDCNAYUWQRZ-XMMPIXPASA-N 0 0 470.616 4.006 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1Br ZINC000001150222 553916679 /nfs/dbraw/zinc/91/66/79/553916679.db2.gz XYKDKZUGIQFLQX-UHFFFAOYSA-N 0 0 497.392 4.059 50 0 JIAARN O=C(C=Cc1ccc2c(c1)OCO2)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 ZINC000001163505 553920103 /nfs/dbraw/zinc/92/01/03/553920103.db2.gz XWXQSEGLFGVRJB-WOKXFPNESA-N 0 0 461.901 4.476 50 0 JIAARN COc1ccc(/C=C(\NC(=O)c2cccs2)C(=O)NCCc2c[nH]c3ccccc23)cc1OC ZINC000001857048 553996627 /nfs/dbraw/zinc/99/66/27/553996627.db2.gz KSUWXOCGKXAIBH-STZFKDTASA-N 0 0 475.570 4.376 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccccc1F ZINC000002056612 554014253 /nfs/dbraw/zinc/01/42/53/554014253.db2.gz PPQYCPWKRUJQPR-JZVSFUAJSA-N 0 0 491.371 4.244 50 0 JIAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCSCc2ccccc2)cc1 ZINC000002060847 554017099 /nfs/dbraw/zinc/01/70/99/554017099.db2.gz ZGODOGZXNUIUSY-UHFFFAOYSA-N 0 0 454.617 4.316 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000002083764 554029487 /nfs/dbraw/zinc/02/94/87/554029487.db2.gz SRYQFRWLLITXMF-CVGPFBNFSA-N 0 0 464.562 4.061 50 0 JIAARN COc1ccc(CCN2CC(=O)N3[C@H](c4ccc(OC)cc4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002095172 554039492 /nfs/dbraw/zinc/03/94/92/554039492.db2.gz DRKWHOMZRHSFNY-LITSAYRRSA-N 0 0 495.579 4.113 50 0 biogenic JIAARN CCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(OC)c2OC)C1=O ZINC000002096911 554041112 /nfs/dbraw/zinc/04/11/12/554041112.db2.gz LMQBFKAKFQKRFJ-OFVILXPXSA-N 0 0 461.562 4.060 50 0 biogenic JIAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000002098192 554041418 /nfs/dbraw/zinc/04/14/18/554041418.db2.gz XYYOFRUWHBYYSX-HZPDHXFCSA-N 0 0 453.366 4.077 50 0 JIAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(O)cc2)cc1OC ZINC000002098500 554041701 /nfs/dbraw/zinc/04/17/01/554041701.db2.gz DTMSEZQLPZFLGE-DEOSSOPVSA-N 0 0 457.482 4.304 50 0 biogenic JIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccccc4)CC(=O)N32)c1 ZINC000002109963 554049374 /nfs/dbraw/zinc/04/93/74/554049374.db2.gz LGKMZSAZHZXZTD-LSYYVWMOSA-N 0 0 465.553 4.104 50 0 biogenic JIAARN Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)CC(=O)N12 ZINC000002109745 554049408 /nfs/dbraw/zinc/04/94/08/554049408.db2.gz WZIMIWMLZPMWGY-NEKDWFFYSA-N 0 0 479.536 4.090 50 0 biogenic JIAARN COc1ccccc1CN1CC(=O)N2[C@H](c3ccccc3C)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002110856 554049701 /nfs/dbraw/zinc/04/97/01/554049701.db2.gz JLDJSHCRNMUJAF-RBJSKKJNSA-N 0 0 465.553 4.370 50 0 biogenic JIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC(C(N)=O)CC1)occ3-c1ccc(Cl)cc1 ZINC000002122636 554056782 /nfs/dbraw/zinc/05/67/82/554056782.db2.gz SPDUDZDTWZCKGC-UHFFFAOYSA-N 0 0 478.932 4.434 50 0 biogenic JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(F)cc2)cc1 ZINC000002136742 554062122 /nfs/dbraw/zinc/06/21/22/554062122.db2.gz SNHLIUXZWSSJAM-CXUHLZMHSA-N 0 0 469.563 4.177 50 0 JIAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000002148742 554068104 /nfs/dbraw/zinc/06/81/04/554068104.db2.gz XIJZSWMHHVANJO-OYHNWAKOSA-N 0 0 471.575 4.325 50 0 JIAARN CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](CC)NS(=O)(=O)c3ccc(C)cc3)c12 ZINC000002149119 554068422 /nfs/dbraw/zinc/06/84/22/554068422.db2.gz NOQNRZCVWNEHKT-HXUWFJFHSA-N 0 0 471.575 4.415 50 0 biogenic JIAARN CCCCc1cc(=O)oc2cc(OC(=O)[C@@H](CCC)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002151767 554070285 /nfs/dbraw/zinc/07/02/85/554070285.db2.gz JDYQDURIGJFBEK-JOCHJYFZSA-N 0 0 471.575 4.497 50 0 biogenic JIAARN COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4F)CC(=O)N23)c1 ZINC000002153475 554071529 /nfs/dbraw/zinc/07/15/29/554071529.db2.gz ZMCMBNORIGOYGJ-RBJSKKJNSA-N 0 0 499.542 4.209 50 0 biogenic JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(SC)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000002182189 554080570 /nfs/dbraw/zinc/08/05/70/554080570.db2.gz WKMXYIKYILIQNF-FBHQFGEZSA-N 0 0 496.679 4.242 50 0 JIAARN CCCNS(=O)(=O)c1cc(-c2nn3c(-c4ccncc4)nnc3c3ccccc32)ccc1C ZINC000002197226 554089586 /nfs/dbraw/zinc/08/95/86/554089586.db2.gz KKQNOFMSRKBYMN-UHFFFAOYSA-N 0 0 458.547 4.003 50 0 JIAARN CCOC(=O)[C@](Nc1cccc(C(F)(F)F)c1)(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F ZINC000002207898 554093413 /nfs/dbraw/zinc/09/34/13/554093413.db2.gz YFDQNDZFCYFUFH-KRWDZBQOSA-N 0 0 484.418 4.226 50 0 JIAARN COc1ccc(-c2oc3ncn(CCCN4CCOCC4)c(=N)c3c2-c2ccc(OC)cc2)cc1 ZINC000002208463 554093700 /nfs/dbraw/zinc/09/37/00/554093700.db2.gz MRXRJNDMHBXXHX-UHFFFAOYSA-N 0 0 474.561 4.182 50 0 JIAARN O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1Cc1ccc2c(c1)OCO2)Nc1ccc(F)cc1 ZINC000002212684 554096107 /nfs/dbraw/zinc/09/61/07/554096107.db2.gz UPMYWIZYIFZFHQ-FQEVSTJZSA-N 0 0 495.507 4.225 50 0 JIAARN COc1ccc(CCN/C=C2/c3ccccc3C(=O)N(c3cc(OC)ccc3OC)C2=O)cc1 ZINC000002242051 554110328 /nfs/dbraw/zinc/11/03/28/554110328.db2.gz RVRKWIIWSOCCLU-QJOMJCCJSA-N 0 0 458.514 4.073 50 0 JIAARN Cc1ccc(CNC(=O)c2c(N)n(-c3ccc4c(c3)OCCO4)c3nc4ccccc4nc32)cc1 ZINC000002248207 554113067 /nfs/dbraw/zinc/11/30/67/554113067.db2.gz CIVJYRAYZDGLRL-UHFFFAOYSA-N 0 0 465.513 4.166 50 0 JIAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccc(OC)c(OC)c3)N2C1=O ZINC000002250046 554114490 /nfs/dbraw/zinc/11/44/90/554114490.db2.gz UDEDYAUDDUXKKX-IFMALSPDSA-N 0 0 466.559 4.486 50 0 JIAARN CC(=O)c1ccc(-n2c(N)c(C(=O)NCc3ccc4c(c3)OCO4)c3nc4ccccc4nc32)cc1 ZINC000002289781 554134413 /nfs/dbraw/zinc/13/44/13/554134413.db2.gz PPMQYTOBDXAFGX-UHFFFAOYSA-N 0 0 479.496 4.017 50 0 JIAARN Nc1c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc2n1CCc1ccccc1F ZINC000002298835 554138734 /nfs/dbraw/zinc/13/87/34/554138734.db2.gz BGBUVTYKOHOSQS-UHFFFAOYSA-N 0 0 483.503 4.207 50 0 JIAARN NC(=O)c1c(NC(=S)NC(=O)c2ccc(Br)cc2)sc2c1CCCCCC2 ZINC000002316703 554146136 /nfs/dbraw/zinc/14/61/36/554146136.db2.gz YUEJXSPMXXLRSJ-UHFFFAOYSA-N 0 0 466.426 4.395 50 0 JIAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)s1 ZINC000002333767 554152826 /nfs/dbraw/zinc/15/28/26/554152826.db2.gz ZAEDDLBMSWPUOT-HXUWFJFHSA-N 0 0 493.541 4.291 50 0 JIAARN CC1(C)Cc2c(sc3nc(N)n4c(SCC(=O)Nc5ccc(Cl)cc5)nnc4c23)CO1 ZINC000002343251 554156962 /nfs/dbraw/zinc/15/69/62/554156962.db2.gz BZPKIZUNWWOOPG-UHFFFAOYSA-N 0 0 474.999 4.157 50 0 JIAARN CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000002350501 554161335 /nfs/dbraw/zinc/16/13/35/554161335.db2.gz MBCURDRBKZMRHT-JOCHJYFZSA-N 0 0 469.559 4.033 50 0 JIAARN CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)cc(CC)c2cc1Cl ZINC000002366106 554167641 /nfs/dbraw/zinc/16/76/41/554167641.db2.gz COHIRAZLDRLOJY-IBGZPJMESA-N 0 0 477.966 4.370 50 0 JIAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)ccc1OC(=O)c1ccccc1Cl ZINC000002372912 554171500 /nfs/dbraw/zinc/17/15/00/554171500.db2.gz FERZRKNCTYGXBA-NRFANRHFSA-N 0 0 483.977 4.471 50 0 JIAARN Cc1cc(Br)c(NC(=O)CSc2nnc(-c3ccncc3)n2C)c(Br)c1 ZINC000002384403 554176969 /nfs/dbraw/zinc/17/69/69/554176969.db2.gz VVYBXIBIFCJPJC-UHFFFAOYSA-N 0 0 497.216 4.441 50 0 JIAARN CC(=O)c1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(-c3ccc(Cl)cc3)c2=O)CCC4)cc1 ZINC000002395534 554182185 /nfs/dbraw/zinc/18/21/85/554182185.db2.gz XGMBZLCVLFJCMQ-UHFFFAOYSA-N 0 0 493.972 4.197 50 0 JIAARN CCOc1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CC(C)(C)OC4)cc1 ZINC000002397873 554183888 /nfs/dbraw/zinc/18/38/88/554183888.db2.gz LUCDSRARXJQKRF-UHFFFAOYSA-N 0 0 482.606 4.217 50 0 JIAARN COc1ccc(N2C(=O)[C@H]3[C@H]4C=C(C)c5cc(C)ccc5N4[C@H](C(=O)C(C)(C)C)[C@H]3C2=O)cc1 ZINC000002406234 554188823 /nfs/dbraw/zinc/18/88/23/554188823.db2.gz CJMQYTKMFGVVKA-SBFWRKJZSA-N 0 0 458.558 4.399 50 0 JIAARN COC(=O)C1=NN(c2cccc(C)c2)[C@@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 ZINC000002411632 554192240 /nfs/dbraw/zinc/19/22/40/554192240.db2.gz XBHGMSPELLCDMX-JOCHJYFZSA-N 0 0 455.561 4.304 50 0 JIAARN COc1ccc(CCN2CN(S(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4nc32)cc1OC ZINC000002411789 554192351 /nfs/dbraw/zinc/19/23/51/554192351.db2.gz JAEXFUNGWXUDBI-UHFFFAOYSA-N 0 0 494.548 4.002 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)c(OC)c1 ZINC000002415197 554194513 /nfs/dbraw/zinc/19/45/13/554194513.db2.gz RSSWZXSQVMFOGT-UHFFFAOYSA-N 0 0 485.587 4.464 50 0 JIAARN O=S(=O)(c1ccc(Cl)cc1)N1CN(CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002422998 554199627 /nfs/dbraw/zinc/19/96/27/554199627.db2.gz XMRODRYGBQXVSJ-UHFFFAOYSA-N 0 0 450.951 4.499 50 0 JIAARN COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc(OC)c1OC ZINC000002426720 554201939 /nfs/dbraw/zinc/20/19/39/554201939.db2.gz XTNAPEZHWYXKMD-YCRPNKLZSA-N 0 0 485.920 4.196 50 0 JIAARN COC(=O)C1=NN(c2ccc(OC)cc2)[C@@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 ZINC000002427133 554202314 /nfs/dbraw/zinc/20/23/14/554202314.db2.gz 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O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)Nc1ccc2c(c1)OCCO2 ZINC000002496898 554228560 /nfs/dbraw/zinc/22/85/60/554228560.db2.gz KTRQRVSUCRCSIM-UHFFFAOYSA-N 0 0 487.990 4.036 50 0 aggregator JIAARN CCOc1cc(C(=O)Nc2nc3n(n2)[C@@H](c2ccc(Cl)cc2)CC(=O)N3)cc(OCC)c1OCC ZINC000002593391 554239356 /nfs/dbraw/zinc/23/93/56/554239356.db2.gz WLHJPJXZWMJDGD-QGZVFWFLSA-N 0 0 499.955 4.312 50 0 JIAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)s2)c(C)c1 ZINC000002620300 554244865 /nfs/dbraw/zinc/24/48/65/554244865.db2.gz ZBBHLDRRSJIDKM-UHFFFAOYSA-N 0 0 459.622 4.278 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)NCCC3=CCCCC3)o2)c1 ZINC000002622807 554246858 /nfs/dbraw/zinc/24/68/58/554246858.db2.gz WCWGYAQXDCTPMH-KRWDZBQOSA-N 0 0 492.667 4.254 50 0 JIAARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)C1 ZINC000002623823 554247926 /nfs/dbraw/zinc/24/79/26/554247926.db2.gz GLCULPGAVUOCAI-IAGOWNOFSA-N 0 0 450.564 4.260 50 0 JIAARN 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CCn1c(CSc2nnc(C3CC3)n2Cc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000006153423 554512499 /nfs/dbraw/zinc/51/24/99/554512499.db2.gz WSOHSGNGSSDVDY-UHFFFAOYSA-N 0 0 496.662 4.116 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N[C@@H](C)c1ccccc1)n2CC ZINC000006153665 554512757 /nfs/dbraw/zinc/51/27/57/554512757.db2.gz OIGZSJQIXSHVAG-KRWDZBQOSA-N 0 0 474.652 4.056 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)N1CCc3ccccc31)n2CC ZINC000006346800 554531866 /nfs/dbraw/zinc/53/18/66/554531866.db2.gz GIMDGKGOFYMSTN-KRWDZBQOSA-N 0 0 486.663 4.157 50 0 JIAARN CCOc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000006577236 554552553 /nfs/dbraw/zinc/55/25/53/554552553.db2.gz BNHJYWXKZDKYHJ-UHFFFAOYSA-N 0 0 457.552 4.141 50 0 JIAARN O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1)N1CCCCCC1 ZINC000006577131 554552578 /nfs/dbraw/zinc/55/25/78/554552578.db2.gz CAGSZCHDRPQVRA-UHFFFAOYSA-N 0 0 479.631 4.187 50 0 JIAARN Cn1cccc1Cc1nnc(SCC(=O)N2CCCc3ccccc32)n1-c1ccc(F)cc1 ZINC000006577268 554552714 /nfs/dbraw/zinc/55/27/14/554552714.db2.gz ARRAGNPCJWWAAH-UHFFFAOYSA-N 0 0 461.566 4.407 50 0 JIAARN COc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(OC)cc4)CC3=O)cc2)cc1 ZINC000008383593 554566950 /nfs/dbraw/zinc/56/69/50/554566950.db2.gz ZVLFJXWOQWCICZ-IBGZPJMESA-N 0 0 475.497 4.275 50 0 JIAARN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000008438208 554589129 /nfs/dbraw/zinc/58/91/29/554589129.db2.gz XJZYVHNWRZQUMA-GOSISDBHSA-N 0 0 451.596 4.445 50 0 JIAARN O=C1[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)cc3)N2C(=S)N1C[C@@H]1CCCO1 ZINC000008438456 554589533 /nfs/dbraw/zinc/58/95/33/554589533.db2.gz TYFOBHHIWPLBDE-XUEUYAKLSA-N 0 0 451.979 4.444 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000008443761 554593321 /nfs/dbraw/zinc/59/33/21/554593321.db2.gz XGACEHSGJRTLRA-UHFFFAOYSA-N 0 0 492.594 4.383 50 0 JIAARN O=C(NC[C@@H]1CCCO1)c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000008444694 554594349 /nfs/dbraw/zinc/59/43/49/554594349.db2.gz IPYYNQWEJQLKJT-BPUTZDHNSA-N 0 0 473.293 4.215 50 0 JIAARN CC(C)Cn1c2nnc(CCCC(=O)NC[C@@H](C)c3ccccc3)n2c2ccsc2c1=O ZINC000008589747 554602321 /nfs/dbraw/zinc/60/23/21/554602321.db2.gz KYBXOWJKTCXORN-QGZVFWFLSA-N 0 0 451.596 4.004 50 0 JIAARN C[C@@H](Nc1ccc(Oc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000008747360 554650539 /nfs/dbraw/zinc/65/05/39/554650539.db2.gz FALDDXVZIBDUMX-CQSZACIVSA-N 0 0 490.379 4.328 50 0 JIAARN CCOC(=O)CCCNC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F ZINC000008750411 554652443 /nfs/dbraw/zinc/65/24/43/554652443.db2.gz LBVFRBPRQMSPCF-UHFFFAOYSA-N 0 0 476.961 4.278 50 0 JIAARN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)Nc4ccc(OC)cc4)cc3)CC2=O)cc1 ZINC000008754218 554655921 /nfs/dbraw/zinc/65/59/21/554655921.db2.gz AJTRMRAFWUVMDN-LJQANCHMSA-N 0 0 473.529 4.338 50 0 JIAARN O=C([C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccccc1)N1CCOCC1 ZINC000008762260 554661916 /nfs/dbraw/zinc/66/19/16/554661916.db2.gz MLQQGPDFGPRXQL-DEOSSOPVSA-N 0 0 471.582 4.137 50 0 JIAARN CCOC(=O)N[C@H]1Cc2ccccc2[C@@H]1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000008762177 554661926 /nfs/dbraw/zinc/66/19/26/554661926.db2.gz RVIREDORLMXCKF-OALUTQOASA-N 0 0 468.907 4.288 50 0 JIAARN C[C@H](Sc1nnc(COc2ccccc2F)n1N)C(=O)Nc1cccc(Cl)c1Cl ZINC000008763027 554662891 /nfs/dbraw/zinc/66/28/91/554662891.db2.gz YLYRMGJUICQELM-JTQLQIEISA-N 0 0 456.330 4.136 50 0 JIAARN CC(=O)c1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CC(C)(C)OC4)cc1 ZINC000008768107 554668738 /nfs/dbraw/zinc/66/87/38/554668738.db2.gz WXOVXXHRIREVIP-UHFFFAOYSA-N 0 0 480.590 4.021 50 0 JIAARN Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)NC[C@@H]4CCCO4)c3)cc2)cs1 ZINC000008774359 554673224 /nfs/dbraw/zinc/67/32/24/554673224.db2.gz HLBLQWAFEAXDFO-SFHVURJKSA-N 0 0 492.022 4.482 50 0 JIAARN CC(C)C[C@@H](C(=O)N[C@@H](C)c1ccccc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789109 554681176 /nfs/dbraw/zinc/68/11/76/554681176.db2.gz CPLBEQAZPRICIH-HPYKGQJFSA-N 0 0 472.589 4.496 50 0 biogenic JIAARN CCCCNC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)[C@H](C)CC ZINC000008791692 554684895 /nfs/dbraw/zinc/68/48/95/554684895.db2.gz PEMBDPCYQVOASM-GFUVIIAASA-N 0 0 486.616 4.085 50 0 biogenic JIAARN CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000008816089 554697848 /nfs/dbraw/zinc/69/78/48/554697848.db2.gz KDNCITSKFHYHCF-FQEVSTJZSA-N 0 0 477.671 4.397 50 0 JIAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Oc1ccc(Br)cc1Cl)C2=O ZINC000008824892 554712349 /nfs/dbraw/zinc/71/23/49/554712349.db2.gz CHXRZGCRHFMPMZ-NSPYISDASA-N 0 0 457.752 4.145 50 0 JIAARN Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc4C3)c2)o1 ZINC000008847954 554746168 /nfs/dbraw/zinc/74/61/68/554746168.db2.gz VXMSKVNKLXTTCS-UHFFFAOYSA-N 0 0 458.967 4.261 50 0 JIAARN CCn1nnnc1SCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000008848631 554746313 /nfs/dbraw/zinc/74/63/13/554746313.db2.gz HWTBZLODJGBGSC-UHFFFAOYSA-N 0 0 454.556 4.281 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)c1 ZINC000008850031 554747135 /nfs/dbraw/zinc/74/71/35/554747135.db2.gz MEQRSUIQQSRHMC-OAHLLOKOSA-N 0 0 468.604 4.252 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)Nc3ccccc3C)cs2)c1 ZINC000008850077 554747327 /nfs/dbraw/zinc/74/73/27/554747327.db2.gz YOGMCFOQIWJWHC-UHFFFAOYSA-N 0 0 454.577 4.322 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)NCCCc3ccccc3)cs2)cc1 ZINC000008850522 554747549 /nfs/dbraw/zinc/74/75/49/554747549.db2.gz UJCNJSRNGIEBAP-UHFFFAOYSA-N 0 0 482.631 4.124 50 0 JIAARN COC(=O)c1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000008852504 554748917 /nfs/dbraw/zinc/74/89/17/554748917.db2.gz NHCOINLOEOPHIW-UHFFFAOYSA-N 0 0 475.979 4.495 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)c2)cc1 ZINC000008860733 554757032 /nfs/dbraw/zinc/75/70/32/554757032.db2.gz OCMFOWIFEHIDNU-UHFFFAOYSA-N 0 0 460.559 4.254 50 0 JIAARN Cc1c(CCNS(=O)(=O)c2c(C)cc(C)cc2C)sc2nc(-c3ccc(F)cc3)nn12 ZINC000008860327 554757044 /nfs/dbraw/zinc/75/70/44/554757044.db2.gz DHGDXDJISJEDAM-UHFFFAOYSA-N 0 0 458.584 4.352 50 0 JIAARN COc1ccc(Cc2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)n2N)cc1 ZINC000008861378 554758465 /nfs/dbraw/zinc/75/84/65/554758465.db2.gz ZHSYAWAKPGKGCD-OLZOCXBDSA-N 0 0 480.421 4.256 50 0 JIAARN Cc1nc2cc(NC(=O)CSc3nnc(-c4ccc(F)cc4)n3C[C@@H]3CCCO3)ccc2o1 ZINC000008861818 554759172 /nfs/dbraw/zinc/75/91/72/554759172.db2.gz YVMITNQWWGRZFN-SFHVURJKSA-N 0 0 467.526 4.444 50 0 JIAARN COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCC(C)C)c(OC)c1 ZINC000008869389 554763018 /nfs/dbraw/zinc/76/30/18/554763018.db2.gz DOOPCODXCZFLOJ-HSZRJFAPSA-N 0 0 451.519 4.418 50 0 JIAARN CC(C)(C)c1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008869782 554763860 /nfs/dbraw/zinc/76/38/60/554763860.db2.gz QSFGYJKGLPTZKF-HXUWFJFHSA-N 0 0 494.451 4.341 50 0 JIAARN COc1cc(CN(C[C@H]2CCCO2)C(=O)COc2ccc(Cl)cc2C)cc(OC)c1OC ZINC000008869907 554764092 /nfs/dbraw/zinc/76/40/92/554764092.db2.gz WRKKGRQAGANTNW-LJQANCHMSA-N 0 0 463.958 4.261 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(C)c1N(C)S(=O)(=O)c1ccc(F)cc1 ZINC000008870930 554765877 /nfs/dbraw/zinc/76/58/77/554765877.db2.gz KAFYFEUKOZPJGH-UHFFFAOYSA-N 0 0 466.531 4.208 50 0 JIAARN COc1ccc(COc2ccc([C@@H]3[C@H](S(=O)(=O)c4ccccc4)CON3C)cc2OC)cc1 ZINC000008873805 554770459 /nfs/dbraw/zinc/77/04/59/554770459.db2.gz NELPYWVWMMZRHW-JWQCQUIFSA-N 0 0 469.559 4.043 50 0 JIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)occ3C(C)(C)C ZINC000008877137 554772271 /nfs/dbraw/zinc/77/22/71/554772271.db2.gz IAGAMKNGZRIHJO-MSOLQXFVSA-N 0 0 486.568 4.495 50 0 biogenic JIAARN CCOc1c(Cl)cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)cc1OC ZINC000008879255 554774753 /nfs/dbraw/zinc/77/47/53/554774753.db2.gz QWVBDIOMUQSUPS-UHFFFAOYSA-N 0 0 454.976 4.339 50 0 JIAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1nc(=O)c2c(-c3ccc(C)s3)csc2[nH]1 ZINC000008882862 554777548 /nfs/dbraw/zinc/77/75/48/554777548.db2.gz ILQJEIQHNHUZBN-UHFFFAOYSA-N 0 0 495.630 4.441 50 0 JIAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)C1=O ZINC000008882942 554777762 /nfs/dbraw/zinc/77/77/62/554777762.db2.gz GVYQQSYTWJUMRC-KBMIEXCESA-N 0 0 492.626 4.431 50 0 JIAARN COc1ccc(CCn2c(C)cc(C(=O)CN3C(=O)NC4(CCCCCC4)C3=O)c2C)cc1 ZINC000008882925 554777835 /nfs/dbraw/zinc/77/78/35/554777835.db2.gz PYISBQOXEZXEDZ-UHFFFAOYSA-N 0 0 451.567 4.184 50 0 JIAARN O=C(CSCC(=O)N1CCCc2ccccc21)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000008884602 554778857 /nfs/dbraw/zinc/77/88/57/554778857.db2.gz DVLKCBWZGAZNGY-UHFFFAOYSA-N 0 0 467.572 4.190 50 0 JIAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)c4cc(C)n(-c5cc(C)on5)c4C)C3=O)ccc2c1 ZINC000008891181 554780184 /nfs/dbraw/zinc/78/01/84/554780184.db2.gz UGLAJXMSHSZPJY-MHZLTWQESA-N 0 0 486.528 4.202 50 0 JIAARN CCNC(=O)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1OCC ZINC000008895263 554784976 /nfs/dbraw/zinc/78/49/76/554784976.db2.gz GPWQTUXKRYSBEL-AREMUKBSSA-N 0 0 489.528 4.100 50 0 JIAARN O=C1c2ccccc2S(=O)(=O)N1CCSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F ZINC000008896402 554786139 /nfs/dbraw/zinc/78/61/39/554786139.db2.gz GBMOTBXOANFFDF-UHFFFAOYSA-N 0 0 498.536 4.149 50 0 JIAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000008897952 554788393 /nfs/dbraw/zinc/78/83/93/554788393.db2.gz ZMMOXORBDCTIHF-IBGZPJMESA-N 0 0 482.631 4.203 50 0 JIAARN CC[C@H](C)N(C(=O)CSc1nc(-c2cccs2)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000008898354 554788655 /nfs/dbraw/zinc/78/86/55/554788655.db2.gz XUXZPCGHVWQIGS-HOTGVXAUSA-N 0 0 475.661 4.265 50 0 JIAARN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCC(C(=O)OC)CC1 ZINC000008898864 554789557 /nfs/dbraw/zinc/78/95/57/554789557.db2.gz RFGWSGQKJRUVBL-UHFFFAOYSA-N 0 0 464.971 4.069 50 0 JIAARN COc1ccc(NC(=O)[C@H](Sc2nnc(-c3ccco3)n2N)c2ccccc2)cc1Cl ZINC000008899565 554790497 /nfs/dbraw/zinc/79/04/97/554790497.db2.gz BRHNWKMHUPZPFS-GOSISDBHSA-N 0 0 455.927 4.386 50 0 JIAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCc2ccc(OC)cc2)s1 ZINC000008912500 554802931 /nfs/dbraw/zinc/80/29/31/554802931.db2.gz BRAKIHOSLIOYLD-UHFFFAOYSA-N 0 0 494.660 4.131 50 0 JIAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2ncnc3c2sc2cccc(F)c23)C1 ZINC000008912842 554803818 /nfs/dbraw/zinc/80/38/18/554803818.db2.gz HRYHSNUQHQZRAG-OAHLLOKOSA-N 0 0 464.522 4.245 50 0 JIAARN Cc1nc2cc(S(=O)(=O)N3CCC(C(=O)NCc4cccs4)CC3)ccc2n1C1CCCC1 ZINC000008912941 554803841 /nfs/dbraw/zinc/80/38/41/554803841.db2.gz USMDBNAKBRTKCR-UHFFFAOYSA-N 0 0 486.663 4.238 50 0 JIAARN CCCSc1ncc(Cl)c(C(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000008915206 554808433 /nfs/dbraw/zinc/80/84/33/554808433.db2.gz DAYWRAYKXKUOHP-OAHLLOKOSA-N 0 0 474.435 4.115 50 0 JIAARN COc1ccc(Cl)cc1N(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1 ZINC000008916038 554810312 /nfs/dbraw/zinc/81/03/12/554810312.db2.gz CVDZSXYUQFYCSG-UHFFFAOYSA-N 0 0 450.988 4.383 50 0 JIAARN Cc1ccsc1CN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000008916964 554811667 /nfs/dbraw/zinc/81/16/67/554811667.db2.gz 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555348489 /nfs/dbraw/zinc/34/84/89/555348489.db2.gz NXJYXYXPNRVYJJ-UHFFFAOYSA-N 0 0 457.556 4.147 50 0 JIAARN COc1ccccc1N(C(C)=O)c1nc(CSc2nnnn2Cc2cccs2)cs1 ZINC000009640930 555351453 /nfs/dbraw/zinc/35/14/53/555351453.db2.gz DLSVTEOJIRPGPF-UHFFFAOYSA-N 0 0 458.594 4.225 50 0 JIAARN COc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000013149550 555352900 /nfs/dbraw/zinc/35/29/00/555352900.db2.gz OJNWIBNIHMAQIJ-KRWDZBQOSA-N 0 0 461.547 4.369 50 0 JIAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000009641895 555353089 /nfs/dbraw/zinc/35/30/89/555353089.db2.gz QMRJYECNGBGRMV-MHZLTWQESA-N 0 0 486.597 4.411 50 0 JIAARN COC(=O)CCn1c(C)cc(C(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c1C ZINC000013149624 555353338 /nfs/dbraw/zinc/35/33/38/555353338.db2.gz YZAMHABDDMBITM-UHFFFAOYSA-N 0 0 467.522 4.128 50 0 JIAARN CCOCCCn1c(=O)c2ccccc2nc1SCc1cc(=O)oc2cc(OC)ccc12 ZINC000013149703 555353554 /nfs/dbraw/zinc/35/35/54/555353554.db2.gz WHMCSPSIUHXLAH-UHFFFAOYSA-N 0 0 452.532 4.230 50 0 JIAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 ZINC000013149721 555353578 /nfs/dbraw/zinc/35/35/78/555353578.db2.gz CSBGTKROQYADTF-UHFFFAOYSA-N 0 0 453.568 4.104 50 0 JIAARN COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)NCCc3cccc(C)c3)c3ccccc3C(=O)N1CC2 ZINC000009559287 555353796 /nfs/dbraw/zinc/35/37/96/555353796.db2.gz VWGDVDLBUVESPO-SVBPBHIXSA-N 0 0 470.569 4.208 50 0 JIAARN CCOc1ccc(OCC)c(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)c1 ZINC000009559446 555354517 /nfs/dbraw/zinc/35/45/17/555354517.db2.gz GQOOEXWCAGOOMI-UHFFFAOYSA-N 0 0 466.625 4.269 50 0 JIAARN CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1cc(OC)c(OC)cc1Br ZINC000009560008 555355688 /nfs/dbraw/zinc/35/56/88/555355688.db2.gz KYCAEYOWBVUHCX-HNNXBMFYSA-N 0 0 454.361 4.323 50 0 JIAARN C[C@@H]1Cc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n(CCc3ccccc3)c(=O)c2S1 ZINC000009560115 555355942 /nfs/dbraw/zinc/35/59/42/555355942.db2.gz LFBDSGQXYIRNTH-MRXNPFEDSA-N 0 0 495.626 4.025 50 0 JIAARN CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)s1 ZINC000009561804 555360640 /nfs/dbraw/zinc/36/06/40/555360640.db2.gz CZWUDAFWCUUZCF-UHFFFAOYSA-N 0 0 471.608 4.248 50 0 JIAARN Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(N4CCOCC4)n3Cc3ccccc3)o2)cc1 ZINC000013163423 555361269 /nfs/dbraw/zinc/36/12/69/555361269.db2.gz QHDNQICWCVJVDW-GOSISDBHSA-N 0 0 462.579 4.375 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccccc3O)C2=O)c1 ZINC000009562288 555362479 /nfs/dbraw/zinc/36/24/79/555362479.db2.gz IQRYQQKMLLMHHR-XLNRJJMWSA-N 0 0 491.569 4.063 50 0 JIAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1=O ZINC000009562476 555363309 /nfs/dbraw/zinc/36/33/09/555363309.db2.gz PGDRAXJRUPTWMM-MHZLTWQESA-N 0 0 457.530 4.452 50 0 JIAARN O=C(COC(=O)c1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCc2ccccc21 ZINC000009562567 555363744 /nfs/dbraw/zinc/36/37/44/555363744.db2.gz FQPRMGZDDROYKU-UHFFFAOYSA-N 0 0 458.558 4.131 50 0 JIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)CC(=O)Nc2cccc3ccccc32)cc1 ZINC000013164153 555363881 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O=S(=O)(c1ccc2oc(SCc3nc(-c4ccsc4)no3)nc2c1)N1CCCCC1 ZINC000009578596 555380443 /nfs/dbraw/zinc/38/04/43/555380443.db2.gz RSRYLBJGHPXBPP-UHFFFAOYSA-N 0 0 462.578 4.406 50 0 JIAARN Cc1cc(C)cc(S(=O)(=O)N2CCC(C(=O)NCc3csc(-c4cccs4)n3)CC2)c1 ZINC000013354417 555382153 /nfs/dbraw/zinc/38/21/53/555382153.db2.gz LQKWDROAGORSMN-UHFFFAOYSA-N 0 0 475.661 4.206 50 0 JIAARN O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000009579014 555382127 /nfs/dbraw/zinc/38/21/27/555382127.db2.gz QHDCPLNSVOLWNT-HHHXNRCGSA-N 0 0 473.504 4.018 50 0 JIAARN CCc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000013354306 555382193 /nfs/dbraw/zinc/38/21/93/555382193.db2.gz GNHGHKZSCNVUAV-UHFFFAOYSA-N 0 0 469.632 4.090 50 0 JIAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3o2)c1 ZINC000009579200 555382376 /nfs/dbraw/zinc/38/23/76/555382376.db2.gz QNYTWFRGZIHXLW-MRXNPFEDSA-N 0 0 487.603 4.324 50 0 JIAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cn(Cc2ccccc2)nc1-c1cccnc1 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COc1ccc(NC(=O)[C@H]2CCCN(Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1Cl ZINC000013367144 555389520 /nfs/dbraw/zinc/38/95/20/555389520.db2.gz WXQCZPWZGSAJMH-INIZCTEOSA-N 0 0 486.956 4.267 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000009671226 555389891 /nfs/dbraw/zinc/38/98/91/555389891.db2.gz XSPOQAJSNUSRIX-UHFFFAOYSA-N 0 0 485.993 4.232 50 0 JIAARN COc1cccc(-n2cnnc2SCC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1 ZINC000009671211 555389920 /nfs/dbraw/zinc/38/99/20/555389920.db2.gz WZAUULNMXIWCHG-UHFFFAOYSA-N 0 0 483.575 4.147 50 0 JIAARN Cc1oc(NC(=O)COC(=O)c2sc3cc(Cl)ccc3c2Cl)c2c1c(C)n[nH]c2=O ZINC000009671324 555390547 /nfs/dbraw/zinc/39/05/47/555390547.db2.gz OCBXYGVDQXWAEP-UHFFFAOYSA-N 0 0 466.302 4.450 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)Nc1ccc2c(c1)OCCO2 ZINC000009583269 555391047 /nfs/dbraw/zinc/39/10/47/555391047.db2.gz CMSHZXPJTXXSQP-UHFFFAOYSA-N 0 0 481.480 4.166 50 0 JIAARN C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c[nH]c2ccccc12 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CSc1ccc(CCNC(=O)CCc2nnc3ccc(NCc4ccccc4Cl)nn32)cc1 ZINC000009744066 555475721 /nfs/dbraw/zinc/47/57/21/555475721.db2.gz PEROKXYDDJIQIM-UHFFFAOYSA-N 0 0 481.025 4.403 50 0 JIAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN(C)Cc1cnn(-c2ccccc2)c1 ZINC000009745954 555477735 /nfs/dbraw/zinc/47/77/35/555477735.db2.gz OCHIVEZEOHDJCR-UHFFFAOYSA-N 0 0 499.571 4.212 50 0 JIAARN CCCCn1c(SCC(=O)NCc2ccccc2OC)nc2c3ccccc3oc2c1=O ZINC000009749651 555481347 /nfs/dbraw/zinc/48/13/47/555481347.db2.gz FCLKRRFAJIRSBR-UHFFFAOYSA-N 0 0 451.548 4.360 50 0 JIAARN CCc1ccc(-c2csc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)n2)cc1 ZINC000009750584 555482288 /nfs/dbraw/zinc/48/22/88/555482288.db2.gz GLEMMJKOFWUSKN-UHFFFAOYSA-N 0 0 461.634 4.400 50 0 JIAARN CC(C)OCCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1nccs1 ZINC000009752068 555483458 /nfs/dbraw/zinc/48/34/58/555483458.db2.gz OVOPUVLXYBFNGP-UHFFFAOYSA-N 0 0 458.565 4.145 50 0 JIAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009754576 555484978 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477.634 4.087 50 0 JIAARN O=S(=O)(CCN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(Br)cc1 ZINC000009782294 555503040 /nfs/dbraw/zinc/50/30/40/555503040.db2.gz RIXFNTXWRKSZSY-IBGZPJMESA-N 0 0 466.397 4.221 50 0 JIAARN COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1S(=O)(=O)N1CCCC1 ZINC000009782398 555503308 /nfs/dbraw/zinc/50/33/08/555503308.db2.gz NILYVBOWMQZNGX-GOSISDBHSA-N 0 0 485.631 4.109 50 0 JIAARN COC(=O)c1csc2c1nc(N1CCN(C(=O)Nc3ccccc3)CC1)cc2C(F)(F)F ZINC000019834589 555506340 /nfs/dbraw/zinc/50/63/40/555506340.db2.gz CVCPEEQDIWFESJ-UHFFFAOYSA-N 0 0 464.469 4.456 50 0 JIAARN O=c1nc(CSc2nnc(NC[C@@H]3CCCO3)s2)[nH]c2scc(-c3ccccc3)c21 ZINC000009789047 555506607 /nfs/dbraw/zinc/50/66/07/555506607.db2.gz HBCURNYLROVYJF-ZDUSSCGKSA-N 0 0 457.606 4.386 50 0 JIAARN O=C(c1scc2c1CCCC2)N1CCC2(C[C@H]2C(=O)N2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000019838097 555507815 /nfs/dbraw/zinc/50/78/15/555507815.db2.gz XZQPTSMPKGXODE-DEOSSOPVSA-N 0 0 495.664 4.353 50 0 JIAARN COc1ccccc1-c1nc2cc(C(=O)N(C)C[C@H]3Cc4ccccc4O3)cc(NC(C)=O)c2n1C ZINC000019851328 555511269 /nfs/dbraw/zinc/51/12/69/555511269.db2.gz VYHYBMQQWWMXAA-HXUWFJFHSA-N 0 0 484.556 4.283 50 0 JIAARN Cc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c(C)c1 ZINC000009795303 555512838 /nfs/dbraw/zinc/51/28/38/555512838.db2.gz YLXREAHXVVQCSM-SFHVURJKSA-N 0 0 472.636 4.167 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CSc1n[nH]c(-c2cccs2)n1 ZINC000009798548 555515104 /nfs/dbraw/zinc/51/51/04/555515104.db2.gz LDMDRINNHIYHRI-UHFFFAOYSA-N 0 0 489.932 4.395 50 0 JIAARN Cc1ccccc1CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000019857996 555518920 /nfs/dbraw/zinc/51/89/20/555518920.db2.gz BICJAHAIKKUKEE-KRWDZBQOSA-N 0 0 465.413 4.246 50 0 JIAARN COc1ccc(-c2nc3sc(CCNC(=O)C(=O)Nc4cc(Cl)ccc4C)c(C)n3n2)cc1 ZINC000009808978 555519789 /nfs/dbraw/zinc/51/97/89/555519789.db2.gz VQFZHTRZHPWKBF-UHFFFAOYSA-N 0 0 483.981 4.034 50 0 JIAARN CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc21 ZINC000013583306 555520501 /nfs/dbraw/zinc/52/05/01/555520501.db2.gz ZVSSWIJFAIMKDC-UHFFFAOYSA-N 0 0 454.935 4.145 50 0 JIAARN COC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013583756 555521035 /nfs/dbraw/zinc/52/10/35/555521035.db2.gz SPGWFROYTUFCKJ-UHFFFAOYSA-N 0 0 464.543 4.175 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)CSc2nnc3ccc(-c4ccc(Br)cc4)nn32)c1 ZINC000009829118 555527290 /nfs/dbraw/zinc/52/72/90/555527290.db2.gz NWTLKSVCFBNVMQ-UHFFFAOYSA-N 0 0 497.378 4.243 50 0 JIAARN CC[C@@H](Sc1nc2ncccc2c(=O)n1Cc1ccccc1)C(=O)NCc1ccc(C)cc1 ZINC000009830286 555529435 /nfs/dbraw/zinc/52/94/35/555529435.db2.gz PXRRQSWNUNHIIL-JOCHJYFZSA-N 0 0 458.587 4.335 50 0 JIAARN CC[C@H](Sc1nc2ncccc2c(=O)n1Cc1ccc(F)cc1)C(=O)NCc1ccc(C)cc1 ZINC000009830324 555529678 /nfs/dbraw/zinc/52/96/78/555529678.db2.gz ODHZAEHDHJCQLF-QFIPXVFZSA-N 0 0 476.577 4.474 50 0 JIAARN COc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1Cc1ccccc1Cl ZINC000009830337 555529716 /nfs/dbraw/zinc/52/97/16/555529716.db2.gz 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JIAARN CCc1oc2ccccc2c1CN(C)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000009836292 555541731 /nfs/dbraw/zinc/54/17/31/555541731.db2.gz CEBZRHRAIQEIBA-UHFFFAOYSA-N 0 0 486.498 4.327 50 0 JIAARN O=C(CSc1nnc(NC[C@H]2CCCO2)s1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000009846683 555546842 /nfs/dbraw/zinc/54/68/42/555546842.db2.gz OEGMNFWVLDQMBO-GOSISDBHSA-N 0 0 454.577 4.356 50 0 JIAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc4ccccc43)nnc2N2CCOCC2)cc1 ZINC000009847259 555548105 /nfs/dbraw/zinc/54/81/05/555548105.db2.gz GDXPOXDYHKSMLR-UHFFFAOYSA-N 0 0 459.575 4.296 50 0 JIAARN O=c1c(Cl)c(N2CCC[C@H]2c2ccc3c(c2)OCCO3)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000009847413 555548666 /nfs/dbraw/zinc/54/86/66/555548666.db2.gz DHXFZWHDUSHRNN-HNNXBMFYSA-N 0 0 478.858 4.412 50 0 JIAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CCN(c2ccccc2F)CC1 ZINC000009849137 555551193 /nfs/dbraw/zinc/55/11/93/555551193.db2.gz PPXMINICWMSOHE-UHFFFAOYSA-N 0 0 480.005 4.006 50 0 JIAARN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1C ZINC000009849848 555552037 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4.314 50 0 JIAARN CCOCCCNS(=O)(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000009971429 555569390 /nfs/dbraw/zinc/56/93/90/555569390.db2.gz PENSKYUQTAGYNI-UHFFFAOYSA-N 0 0 466.559 4.268 50 0 JIAARN COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C ZINC000009971772 555570172 /nfs/dbraw/zinc/57/01/72/555570172.db2.gz BLBFKSUCPQZHIQ-XMMPIXPASA-N 0 0 474.561 4.282 50 0 JIAARN COc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000009972035 555571030 /nfs/dbraw/zinc/57/10/30/555571030.db2.gz HOCBPXDBISRXSI-UHFFFAOYSA-N 0 0 476.501 4.124 50 0 JIAARN O=S1(=O)C[C@@H]2N=C(SCCCOc3ccccc3)N(c3ccc(F)c(Cl)c3)[C@@H]2C1 ZINC000013686031 555579464 /nfs/dbraw/zinc/57/94/64/555579464.db2.gz VKBCZMMYYRLBHL-RBUKOAKNSA-N 0 0 454.976 4.023 50 0 JIAARN COc1cc2c(c3oc(=O)c(CC(=O)NCCc4ccccc4F)c(C)c13)CCC(C)(C)O2 ZINC000013690279 555584194 /nfs/dbraw/zinc/58/41/94/555584194.db2.gz NZZVRLXFZXMNSL-UHFFFAOYSA-N 0 0 453.510 4.254 50 0 JIAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cccc(C(C)=O)c2)cn3C2CC2)CC1 ZINC000013693249 555588012 /nfs/dbraw/zinc/58/80/12/555588012.db2.gz PVFMNFGTUIXCDH-UHFFFAOYSA-N 0 0 476.552 4.072 50 0 JIAARN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000009996055 555589274 /nfs/dbraw/zinc/58/92/74/555589274.db2.gz YBOJQQJLXDGWKJ-UHFFFAOYSA-N 0 0 460.640 4.287 50 0 JIAARN O=C(Cn1c2sc3c(c2c2nc(-c4ccco4)nn2c1=O)CCC3)c1ccc(Br)cc1 ZINC000013720674 555596317 /nfs/dbraw/zinc/59/63/17/555596317.db2.gz UGMTYJZXEYWDHQ-UHFFFAOYSA-N 0 0 495.358 4.500 50 0 JIAARN CCCCN1C(=O)C[C@@H](C(=O)Nc2cc(OC)c(OC)c(OC)c2)[C@H]1c1cccc(OC)c1OC ZINC000013723582 555599032 /nfs/dbraw/zinc/59/90/32/555599032.db2.gz OYHFNGWLMRUUEI-WZONZLPQSA-N 0 0 486.565 4.058 50 0 JIAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@@](O)(CC(=O)c3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000010059534 555610632 /nfs/dbraw/zinc/61/06/32/555610632.db2.gz LWSPYWLMWPIYTQ-SANMLTNESA-N 0 0 463.917 4.427 50 0 JIAARN O=C(NCCCN1CCOCC1)/C(=C/c1ccc(-c2cccc(Cl)c2)o1)NC(=O)c1ccccc1 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COc1ccccc1NC(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)S[C@H](C)C2 ZINC000011726634 555807580 /nfs/dbraw/zinc/80/75/80/555807580.db2.gz ZDBDXKFWQMUOLW-OAHLLOKOSA-N 0 0 453.589 4.068 50 0 JIAARN COc1cc(C(=O)N2CCN=C2SCc2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000011757739 555809112 /nfs/dbraw/zinc/80/91/12/555809112.db2.gz LFLJUQPRPOOHCX-UHFFFAOYSA-N 0 0 454.470 4.476 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000011758703 555811475 /nfs/dbraw/zinc/81/14/75/555811475.db2.gz LBWKYTLMALYCIO-UHFFFAOYSA-N 0 0 469.510 4.308 50 0 JIAARN COc1ccc(Cn2c(SCC(=O)NCCCc3ccccc3)nc3ccsc3c2=O)cc1 ZINC000020561989 555813292 /nfs/dbraw/zinc/81/32/92/555813292.db2.gz YKIGZHCQPHOANU-UHFFFAOYSA-N 0 0 479.627 4.356 50 0 JIAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)N[C@H]1CCCc2ccccc21 ZINC000020562902 555814476 /nfs/dbraw/zinc/81/44/76/555814476.db2.gz ACZOKQDNXYEGHZ-QHCPKHFHSA-N 0 0 451.592 4.010 50 0 JIAARN CC1CCN(S(=O)(=O)c2ccc3c(ccn3CCC(=O)NCCc3ccccc3Cl)c2)CC1 ZINC000020562832 555814511 /nfs/dbraw/zinc/81/45/11/555814511.db2.gz RRIRAWKKOOJJCU-UHFFFAOYSA-N 0 0 488.053 4.464 50 0 JIAARN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@H](C)C(=O)N1CCC(Cc3ccccc3)CC1)nc2C ZINC000020563337 555815063 /nfs/dbraw/zinc/81/50/63/555815063.db2.gz UQMWBZFSJXMLLK-OAQYLSRUSA-N 0 0 469.589 4.241 50 0 JIAARN COc1cc(OC)c(NC(=O)c2ccc(CN3c4cc(C)nn4CCC3=O)cc2)cc1Cl ZINC000020563913 555816362 /nfs/dbraw/zinc/81/63/62/555816362.db2.gz GZALSCAWZPMZHK-UHFFFAOYSA-N 0 0 454.914 4.051 50 0 JIAARN CCOC(=O)c1ccc(CNC(=O)c2cc(NC(=O)CC)cc3nc(Cc4ccccc4)n(C)c32)o1 ZINC000011785089 555817050 /nfs/dbraw/zinc/81/70/50/555817050.db2.gz HLVHCTLXKHVHCL-UHFFFAOYSA-N 0 0 488.544 4.212 50 0 JIAARN O=C(C[C@@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000011785379 555817649 /nfs/dbraw/zinc/81/76/49/555817649.db2.gz FWEICCJZDCYFFQ-CUBQBAPOSA-N 0 0 489.522 4.311 50 0 JIAARN CC(C)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cc(F)ccc3F)CC2)C1=O ZINC000014532025 555819571 /nfs/dbraw/zinc/81/95/71/555819571.db2.gz IJUAQYZTXQAYLW-UHFFFAOYSA-N 0 0 455.549 4.462 50 0 JIAARN CCc1nc2cc(C(=O)NCc3cn4c(cccc4C)n3)cc(NC(=O)c3ccccc3OC)c2n1C ZINC000011789510 555824435 /nfs/dbraw/zinc/82/44/35/555824435.db2.gz UVLIQPXUUPMWDI-UHFFFAOYSA-N 0 0 496.571 4.283 50 0 JIAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000020573323 555825413 /nfs/dbraw/zinc/82/54/13/555825413.db2.gz BULKRSSRVXQCOW-HNNXBMFYSA-N 0 0 491.462 4.202 50 0 JIAARN Cc1ccc(NC(=O)CN2c3ccccc3[C@]3(SCC(=O)N3c3cccc(F)c3)C2=O)cc1 ZINC000020573964 555826789 /nfs/dbraw/zinc/82/67/89/555826789.db2.gz FLJVRFLCSZRGSZ-VWLOTQADSA-N 0 0 461.518 4.052 50 0 JIAARN CCc1ccc(NC(=O)CN2c3ccccc3[C@@]3(SCC(=O)N3c3cccc(F)c3)C2=O)cc1 ZINC000020573963 555826859 /nfs/dbraw/zinc/82/68/59/555826859.db2.gz LPKBNQPEJRJSLF-AREMUKBSSA-N 0 0 475.545 4.306 50 0 JIAARN Cc1ccc(NC(=O)CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(F)cc3)C2=O)cc1 ZINC000020574038 555827133 /nfs/dbraw/zinc/82/71/33/555827133.db2.gz CAPVSWLEMLLTFA-VWLOTQADSA-N 0 0 461.518 4.052 50 0 JIAARN COc1ccccc1NC(=O)CN1c2ccccc2[C@]2(SCC(=O)N2c2cccc(Cl)c2)C1=O ZINC000020574122 555827743 /nfs/dbraw/zinc/82/77/43/555827743.db2.gz DXLREENXPPGVFM-VWLOTQADSA-N 0 0 493.972 4.267 50 0 JIAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CC(=O)Nc2ccccc2)C3=O)cc1C ZINC000020574164 555827804 /nfs/dbraw/zinc/82/78/04/555827804.db2.gz FIBKOHLZAINNBL-SANMLTNESA-N 0 0 457.555 4.222 50 0 JIAARN Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccc(F)c(F)c3)C2=O)cc1 ZINC000020574221 555828414 /nfs/dbraw/zinc/82/84/14/555828414.db2.gz LGZWKCRZBVSNGT-RUZDIDTESA-N 0 0 479.508 4.191 50 0 JIAARN C[C@@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000020574807 555829817 /nfs/dbraw/zinc/82/98/17/555829817.db2.gz WDZLRQWANGNHQP-NWDGAFQWSA-N 0 0 488.509 4.066 50 0 JIAARN COc1ccc(C2=NC3(CCN(C(=O)Nc4ccc(OC)cc4OC)CC3)N=C2SC)cc1 ZINC000020578254 555832796 /nfs/dbraw/zinc/83/27/96/555832796.db2.gz WANPOPOOKTWKMY-UHFFFAOYSA-N 0 0 468.579 4.301 50 0 JIAARN COCCC(=O)Nc1c2cc(NC3CCC3)cnc2n(CCc2c[nH]c3ccccc23)c1C(=O)OC ZINC000014543650 555834675 /nfs/dbraw/zinc/83/46/75/555834675.db2.gz HGOINQMWEVZFOY-UHFFFAOYSA-N 0 0 489.576 4.486 50 0 JIAARN Cn1c2c(ccc3ccccc23)s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000011847338 555834900 /nfs/dbraw/zinc/83/49/00/555834900.db2.gz FZKPVQPCDQJUBC-OCOZRVBESA-N 0 0 465.600 4.309 50 0 JIAARN Cc1ccc(C)c(NC(=O)C2CCC(CNS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)c1 ZINC000020581945 555835167 /nfs/dbraw/zinc/83/51/67/555835167.db2.gz DWPHOOKKPJQLOF-UHFFFAOYSA-N 0 0 483.634 4.302 50 0 JIAARN COc1ccc(-c2c(C)oc3cc(OCCN4C[C@H](C)O[C@@H](C)C4)ccc3c2=O)cc1OC ZINC000020590155 555837941 /nfs/dbraw/zinc/83/79/41/555837941.db2.gz XGQKZHBKASZTJW-IRXDYDNUSA-N 0 0 453.535 4.274 50 0 biogenic JIAARN O=c1c2ccc(OCCN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2occ1-c1ccccc1 ZINC000020591610 555838271 /nfs/dbraw/zinc/83/82/71/555838271.db2.gz ZVAJZINEUKPXEX-UHFFFAOYSA-N 0 0 484.552 4.385 50 0 biogenic JIAARN COc1ccccc1NC(=O)C1=C(C)N=C2N=C(CCCO)NN2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000011859608 555839234 /nfs/dbraw/zinc/83/92/34/555839234.db2.gz BWQYHQDRCKGABP-NRFANRHFSA-N 0 0 488.375 4.317 50 0 JIAARN COc1ccccc1[C@H]1CN(CCNC(=O)CCc2ccc3c(c2)OCO3)Cc2ccccc2O1 ZINC000020599382 555840946 /nfs/dbraw/zinc/84/09/46/555840946.db2.gz ZZXGEZNOORXVMT-HHHXNRCGSA-N 0 0 474.557 4.109 50 0 JIAARN O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CC12CCN(C(=O)c1cc(=O)c3ccccc3o1)CC2 ZINC000014992525 555842308 /nfs/dbraw/zinc/84/23/08/555842308.db2.gz GXQPOVFSBRZSJM-IBGZPJMESA-N 0 0 484.474 4.371 50 0 JIAARN Cc1c2ccc(OCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000011866940 555843120 /nfs/dbraw/zinc/84/31/20/555843120.db2.gz GBHPWWJUMFPQSY-RBTNQOKQSA-N 0 0 461.558 4.225 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccco3)Cc3cccs3)CC2)cc1 ZINC000014999262 555843643 /nfs/dbraw/zinc/84/36/43/555843643.db2.gz PFMMPHHJCVNDKC-UHFFFAOYSA-N 0 0 458.605 4.279 50 0 JIAARN COc1cccc(CCN2C(=O)c3cccc(N4CCC[C@H](C(=O)N5CCCC[C@@H]5C)C4)c3C2=O)c1 ZINC000014999626 555844029 /nfs/dbraw/zinc/84/40/29/555844029.db2.gz RGPDKWFVMHLUFW-UNMCSNQZSA-N 0 0 489.616 4.151 50 0 JIAARN CCCCOc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020603730 555844643 /nfs/dbraw/zinc/84/46/43/555844643.db2.gz SXQRNZBSKUDNDU-UHFFFAOYSA-N 0 0 493.025 4.172 50 0 JIAARN CCCN(CC1CC1)C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N([C@@H](C)c2nccs2)C3=O)C1 ZINC000015002985 555847918 /nfs/dbraw/zinc/84/79/18/555847918.db2.gz HYLIURNHXIQCGG-HKUYNNGSSA-N 0 0 480.634 4.365 50 0 JIAARN COc1cc(CC(=O)N2CCOc3ccc([C@H](O)C4CCCCC4)cc3C2)cc(OC)c1OC ZINC000011880179 555848295 /nfs/dbraw/zinc/84/82/95/555848295.db2.gz MLEOTEGZCJNIFD-AREMUKBSSA-N 0 0 469.578 4.290 50 0 JIAARN COCCCN1C(=O)C[C@@](CC(=O)N2CCC[C@H]2c2ccc(F)cc2)(c2ccccc2Cl)C1=O ZINC000011881595 555849996 /nfs/dbraw/zinc/84/99/96/555849996.db2.gz WAPSDHZRXHPLNU-NVQXNPDNSA-N 0 0 486.971 4.266 50 0 JIAARN COc1ccc(C[C@]2(CCC(=O)NCc3cccc(C(F)(F)F)c3)CCC(=O)N2)cc1OC ZINC000011881822 555850191 /nfs/dbraw/zinc/85/01/91/555850191.db2.gz VJBWVIJRTFVCKY-QHCPKHFHSA-N 0 0 464.484 4.011 50 0 JIAARN Cn1c(C(=O)N2CCC3(C[C@H]3C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)cc2ccccc21 ZINC000015005960 555850515 /nfs/dbraw/zinc/85/05/15/555850515.db2.gz YTFWOQFKTZIDIE-ZRFNAWPJSA-N 0 0 496.655 4.278 50 0 JIAARN CN(Cc1ccccc1C(F)(F)F)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2cccnc2)C1=O ZINC000011882024 555850619 /nfs/dbraw/zinc/85/06/19/555850619.db2.gz FIAFHPGUMZPONK-AREMUKBSSA-N 0 0 495.501 4.346 50 0 JIAARN Cc1ccc(C2=NN(C(=O)COC(=O)C3CCN(C(=O)C(C)(C)C)CC3)[C@H](c3ccco3)C2)cc1 ZINC000021511547 555850942 /nfs/dbraw/zinc/85/09/42/555850942.db2.gz XJUMQVUZBXICOE-QFIPXVFZSA-N 0 0 479.577 4.094 50 0 JIAARN Cc1ccccc1-c1cccc(CN2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)c1 ZINC000015006735 555851199 /nfs/dbraw/zinc/85/11/99/555851199.db2.gz CQEXGCRCQSUIJJ-UHFFFAOYSA-N 0 0 462.615 4.170 50 0 JIAARN O=C(C[C@H]1NC(=O)c2ccccc21)N1CCC(n2c(CCc3ccccc3)nc3cccnc32)CC1 ZINC000015006590 555851225 /nfs/dbraw/zinc/85/12/25/555851225.db2.gz NZLCIQLSBMYQAX-RUZDIDTESA-N 0 0 479.584 4.255 50 0 JIAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000021529392 555851218 /nfs/dbraw/zinc/85/12/18/555851218.db2.gz SAHNGQNHPSERFQ-QFIPXVFZSA-N 0 0 484.572 4.373 50 0 JIAARN COC(=O)c1sc(NC(=O)CSc2nnc3cc(C)c4cccc(C)c4n32)c(C(=O)OC)c1C ZINC000011907669 555855488 /nfs/dbraw/zinc/85/54/88/555855488.db2.gz OEPGQIFDXOKNGW-UHFFFAOYSA-N 0 0 498.586 4.173 50 0 JIAARN O=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)N1CCc2ccccc2C1 ZINC000021870993 555856863 /nfs/dbraw/zinc/85/68/63/555856863.db2.gz BYNMKPAQZNSTOZ-UHFFFAOYSA-N 0 0 462.546 4.339 50 0 JIAARN O=C(COC(=O)c1csc(-c2ccsc2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000021998730 555860525 /nfs/dbraw/zinc/86/05/25/555860525.db2.gz LQKJOUFBQSILET-UHFFFAOYSA-N 0 0 481.521 4.396 50 0 JIAARN Cc1cccc2c(=O)n(CCC(=O)NCc3cn(-c4ccccc4)nc3-c3ccccc3)cnc12 ZINC000022007509 555861377 /nfs/dbraw/zinc/86/13/77/555861377.db2.gz ZQBCAYIUAFCARG-UHFFFAOYSA-N 0 0 463.541 4.264 50 0 JIAARN C[C@@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022019150 555862336 /nfs/dbraw/zinc/86/23/36/555862336.db2.gz FNDFNBPIQLWBQD-MRXNPFEDSA-N 0 0 487.423 4.324 50 0 JIAARN Cc1nn(C)cc1CN(C)C(=O)c1cc(NC(=O)C(C)C)cc2nc(C)n(Cc3ccccc3)c21 ZINC000011913654 555863745 /nfs/dbraw/zinc/86/37/45/555863745.db2.gz IHGIHTYJXJMMDR-UHFFFAOYSA-N 0 0 472.593 4.302 50 0 JIAARN CCN(CC)c1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)OCO4)o2)cc1 ZINC000022025527 555864128 /nfs/dbraw/zinc/86/41/28/555864128.db2.gz SJFAWGPSTFGEQO-OAHLLOKOSA-N 0 0 454.552 4.281 50 0 JIAARN CCN(CC)c1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)OCO4)o2)cc1 ZINC000022025526 555864172 /nfs/dbraw/zinc/86/41/72/555864172.db2.gz SJFAWGPSTFGEQO-HNNXBMFYSA-N 0 0 454.552 4.281 50 0 JIAARN CCCCOc1ccccc1C(=O)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000011914051 555864392 /nfs/dbraw/zinc/86/43/92/555864392.db2.gz GLZFDWMKIMYONH-OAHLLOKOSA-N 0 0 470.385 4.051 50 0 JIAARN CCn1c(COC(=O)/C=C/c2ccc(C(C)C)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000022043738 555865907 /nfs/dbraw/zinc/86/59/07/555865907.db2.gz UHVSSUIEEGWDLP-NTEUORMPSA-N 0 0 455.580 4.187 50 0 JIAARN O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2)c1cc(-c2ccccc2)on1 ZINC000011915838 555867196 /nfs/dbraw/zinc/86/71/96/555867196.db2.gz MVLVHHHCBRDUPD-INIZCTEOSA-N 0 0 451.548 4.443 50 0 JIAARN COc1cc(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3ccc(C)cc3)on2)cc(OC)c1OC ZINC000011917510 555868597 /nfs/dbraw/zinc/86/85/97/555868597.db2.gz FQEZZYMUDREBGD-HXUWFJFHSA-N 0 0 466.534 4.497 50 0 JIAARN CCOC(=O)c1csc(CCNC(=O)C2CCN(c3nc(C)c4cc(C(C)C)ccc4n3)CC2)n1 ZINC000011965458 555871680 /nfs/dbraw/zinc/87/16/80/555871680.db2.gz GGFFVLHTPQLADM-UHFFFAOYSA-N 0 0 495.649 4.270 50 0 JIAARN CO[C@@H](C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cc3cc(C)ccc3[nH]1)C2)c1ccccc1 ZINC000011966956 555872306 /nfs/dbraw/zinc/87/23/06/555872306.db2.gz KXFXCRUSNHUXFJ-HHHXNRCGSA-N 0 0 482.584 4.382 50 0 JIAARN CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1OC ZINC000011972362 555874321 /nfs/dbraw/zinc/87/43/21/555874321.db2.gz DIPXVOIGLFOSLE-WEVVVXLNSA-N 0 0 451.504 4.200 50 0 JIAARN COc1cccc(C[C@H](C2CCN(C(=O)[C@H](C)c3ccccc3)CC2)N(C)C(=O)c2ccn(C)n2)c1 ZINC000011972876 555874704 /nfs/dbraw/zinc/87/47/04/555874704.db2.gz PHPCLSUEACYHSA-JIPXPUAJSA-N 0 0 488.632 4.154 50 0 JIAARN Cc1ccccc1-n1cc(CN(C)C(=O)CC[C@@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)cn1 ZINC000011973190 555875044 /nfs/dbraw/zinc/87/50/44/555875044.db2.gz JXPPTOKUBBUVGK-AREMUKBSSA-N 0 0 464.997 4.464 50 0 JIAARN COC(=O)CSc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)c3ccco3)C2)n1 ZINC000011980547 555876539 /nfs/dbraw/zinc/87/65/39/555876539.db2.gz JVEXGONLWJNEDG-INIZCTEOSA-N 0 0 455.511 4.161 50 0 JIAARN COCCCN1C(=O)C[C@](CC(=O)N2CCC[C@H](c3cccc(C)c3)C2)(c2ccccc2Cl)C1=O ZINC000011997591 555879327 /nfs/dbraw/zinc/87/93/27/555879327.db2.gz YTJPIEASVBGMEW-RBISFHTESA-N 0 0 497.035 4.478 50 0 JIAARN 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Cc1csc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(-c5ccccc5)nc4c3)C2)n1 ZINC000015677752 555941936 /nfs/dbraw/zinc/94/19/36/555941936.db2.gz HHJZUXVZSAGRCK-QGZVFWFLSA-N 0 0 481.603 4.034 50 0 JIAARN CC(C)c1ccc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCCCC4)cc32)cc1 ZINC000015678502 555943934 /nfs/dbraw/zinc/94/39/34/555943934.db2.gz PZSKGCUEZZMXSX-UHFFFAOYSA-N 0 0 487.647 4.062 50 0 JIAARN COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccc(C(C)(C)C)cc4)C3=O)n2)cc1OC ZINC000022708186 555944819 /nfs/dbraw/zinc/94/48/19/555944819.db2.gz NTURBWGQAVRMFA-VWLOTQADSA-N 0 0 464.522 4.019 50 0 JIAARN COc1ccc(NC(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)cc1 ZINC000015679438 555944806 /nfs/dbraw/zinc/94/48/06/555944806.db2.gz KSSQPZDIHYJBAA-UHFFFAOYSA-N 0 0 451.527 4.461 50 0 JIAARN Cc1ccc(NC(=O)c2cnc(SCC(=O)Nc3cccc(Cl)c3C)n(C)c2=O)cc1C ZINC000012237002 555944870 /nfs/dbraw/zinc/94/48/70/555944870.db2.gz DERTVBYUUKGVIM-UHFFFAOYSA-N 0 0 470.982 4.342 50 0 JIAARN Cc1cccc(NC(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccccc3)CC2)c1 ZINC000022851340 555957275 /nfs/dbraw/zinc/95/72/75/555957275.db2.gz QHAMPBBIZXLXMP-DEOSSOPVSA-N 0 0 458.562 4.409 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(Br)cc2)cc1OC ZINC000012361465 555957803 /nfs/dbraw/zinc/95/78/03/555957803.db2.gz GLPZGNMBVPKQGA-NRFANRHFSA-N 0 0 477.380 4.062 50 0 JIAARN CCOc1ccc(CNC(=O)[C@@H](CC)n2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 ZINC000015722737 555958104 /nfs/dbraw/zinc/95/81/04/555958104.db2.gz YIGASZJKWNDJPM-XMMPIXPASA-N 0 0 483.634 4.482 50 0 JIAARN COc1cc([C@@H]2c3cccn3CCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000012361853 555958353 /nfs/dbraw/zinc/95/83/53/555958353.db2.gz OVTXVOBWMYZRTL-OAQYLSRUSA-N 0 0 496.507 4.327 50 0 JIAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCCC1)N(c1cc(C)cc(C)c1)C2=O ZINC000015724042 555959515 /nfs/dbraw/zinc/95/95/15/555959515.db2.gz HKRVOQKUAPKBIF-HHHXNRCGSA-N 0 0 480.609 4.325 50 0 JIAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCCC1)N(c1ccc(C)cc1)C2=O ZINC000015724090 555959776 /nfs/dbraw/zinc/95/97/76/555959776.db2.gz QMRJLQUNGJHUTP-SANMLTNESA-N 0 0 466.582 4.016 50 0 JIAARN O=C1C[C@H](c2ccccc2F)c2c(=O)n(Cc3ccc(F)cc3)c3nc4ccccc4n3c2N1 ZINC000012375434 555962586 /nfs/dbraw/zinc/96/25/86/555962586.db2.gz TWVOBJWEKLONFJ-GOSISDBHSA-N 0 0 456.452 4.450 50 0 JIAARN COc1ccc(NC(=O)C2CCN(Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)cc1Cl ZINC000015726293 555964509 /nfs/dbraw/zinc/96/45/09/555964509.db2.gz HNPQFPVGIZNSMC-UHFFFAOYSA-N 0 0 486.956 4.267 50 0 JIAARN Cc1cccc(CC(=O)Nc2c3ccccc3oc2C(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000015727915 555967048 /nfs/dbraw/zinc/96/70/48/555967048.db2.gz KOKJHXARVXQNJP-UHFFFAOYSA-N 0 0 454.530 4.280 50 0 JIAARN Cc1cc2n(n1)CCCN2C(=O)CCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000015728819 555969128 /nfs/dbraw/zinc/96/91/28/555969128.db2.gz MGZXUJDNWCBZMW-UHFFFAOYSA-N 0 0 450.926 4.232 50 0 JIAARN C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1Br ZINC000012380895 555969423 /nfs/dbraw/zinc/96/94/23/555969423.db2.gz DSZWGWWOTHOVRN-SECBINFHSA-N 0 0 452.157 4.061 50 0 JIAARN CCc1ccc(-c2noc(CN3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)n2)cc1 ZINC000022915009 555969887 /nfs/dbraw/zinc/96/98/87/555969887.db2.gz CJNVTLVLZHZEFR-UHFFFAOYSA-N 0 0 473.499 4.074 50 0 JIAARN O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000022916344 555970194 /nfs/dbraw/zinc/97/01/94/555970194.db2.gz FGGMZUYBUZTCKI-UHFFFAOYSA-N 0 0 453.892 4.050 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](c2nc(-c3ccc4c(c3)[nH]c(=O)n4C3CCCC3)no2)C(C)C)cc1 ZINC000015729867 555970616 /nfs/dbraw/zinc/97/06/16/555970616.db2.gz LSIOEEKIEJSQEY-QFIPXVFZSA-N 0 0 495.605 4.479 50 0 JIAARN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)c(Cl)c1 ZINC000012382302 555971102 /nfs/dbraw/zinc/97/11/02/555971102.db2.gz GWCAFOTURQSWFC-UHFFFAOYSA-N 0 0 479.042 4.134 50 0 JIAARN Cc1cccc(NC(=O)CN2CCN(Cc3nc4sc(-c5ccccc5)cc4c(=O)[nH]3)CC2)c1C ZINC000022919385 555973364 /nfs/dbraw/zinc/97/33/64/555973364.db2.gz GAZXGNIILHZVCR-UHFFFAOYSA-N 0 0 487.629 4.025 50 0 JIAARN COc1ccc(NC(=O)Cn2c3sc4c(c3c3nc(-c5ccccc5)nn3c2=O)CCCC4)cc1 ZINC000012390272 555973496 /nfs/dbraw/zinc/97/34/96/555973496.db2.gz AKEHRPRYLKOWKK-UHFFFAOYSA-N 0 0 485.569 4.299 50 0 JIAARN COc1ccccc1CNC(=O)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(C)C ZINC000012390770 555973820 /nfs/dbraw/zinc/97/38/20/555973820.db2.gz LPUCSRYRIYIJQL-QFIPXVFZSA-N 0 0 462.575 4.166 50 0 JIAARN O=S(=O)(NC[C@@H](c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccccc1 ZINC000022921126 555975195 /nfs/dbraw/zinc/97/51/95/555975195.db2.gz ROXUOFGTTASHEN-QFIPXVFZSA-N 0 0 476.067 4.239 50 0 JIAARN Cc1ccc(NC(=O)CSc2ncc3c(n2)-c2cc(Cl)ccc2N(C)S3(=O)=O)cc1F ZINC000015731788 555975343 /nfs/dbraw/zinc/97/53/43/555975343.db2.gz LLOISDTXTDYDLD-UHFFFAOYSA-N 0 0 478.958 4.114 50 0 JIAARN C[C@H](c1ccccc1)N1C(=O)N[C@](NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C1=O ZINC000012401895 555976066 /nfs/dbraw/zinc/97/60/66/555976066.db2.gz MVIPKBONDNRANB-MGNBDDOMSA-N 0 0 460.239 4.295 50 0 JIAARN CC[C@@H](C(=O)Nc1cc(C)on1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022925257 555977315 /nfs/dbraw/zinc/97/73/15/555977315.db2.gz VKYGGHLBRUDAHV-QFIPXVFZSA-N 0 0 454.521 4.386 50 0 JIAARN COc1ccc(-n2cc3c(c2-c2ccc(Cl)cc2Cl)c(=O)n(C)c(=O)n3C)cc1OC ZINC000012428151 555979606 /nfs/dbraw/zinc/97/96/06/555979606.db2.gz NTZUEOGWVSRAGH-UHFFFAOYSA-N 0 0 460.317 4.019 50 0 JIAARN O=C(NCCCN1CCCc2ccccc21)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000015734883 555980888 /nfs/dbraw/zinc/98/08/88/555980888.db2.gz IGSNDMGJTDRYJU-UHFFFAOYSA-N 0 0 461.635 4.381 50 0 JIAARN COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022931372 555984502 /nfs/dbraw/zinc/98/45/02/555984502.db2.gz OCUWPUSBQQSEOT-LJQANCHMSA-N 0 0 450.608 4.272 50 0 JIAARN CC(C)c1nn2c(nc(COC(=O)c3ccc(NC(=O)CSc4ccccc4)cc3)cc2=O)s1 ZINC000015771496 555989595 /nfs/dbraw/zinc/98/95/95/555989595.db2.gz SBSUOXYZGHDLJO-UHFFFAOYSA-N 0 0 494.598 4.362 50 0 JIAARN CCCCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3cccc(OC)c3)cc2=O)s1 ZINC000015771962 555991030 /nfs/dbraw/zinc/99/10/30/555991030.db2.gz NUUJYSRTCQQQRI-UHFFFAOYSA-N 0 0 492.557 4.112 50 0 JIAARN COc1ccc(Br)cc1CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015774067 555992434 /nfs/dbraw/zinc/99/24/34/555992434.db2.gz MRBOWZJNBVTTJU-OAQYLSRUSA-N 0 0 465.347 4.346 50 0 JIAARN CN(CCCNC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)c1ccccc1 ZINC000012526904 555995382 /nfs/dbraw/zinc/99/53/82/555995382.db2.gz SCPGGIPNJGPCME-UHFFFAOYSA-N 0 0 460.607 4.496 50 0 JIAARN C[C@@H](Sc1nnc(CN2CCCCCC2=O)n1-c1cccnc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000012527678 555996209 /nfs/dbraw/zinc/99/62/09/555996209.db2.gz MPKLVOYFFMDGNL-GOSISDBHSA-N 0 0 490.633 4.173 50 0 JIAARN CCCCn1c2nc(-c3ccc(OC)c(Br)c3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000012530697 556000907 /nfs/dbraw/zinc/00/09/07/556000907.db2.gz KTZFGLKLSALFBS-UHFFFAOYSA-N 0 0 483.366 4.173 50 0 JIAARN CCCCCn1c(-c2ccc(F)c(Br)c2)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000012531519 556001485 /nfs/dbraw/zinc/00/14/85/556001485.db2.gz PSIOTAOQRJBERD-UHFFFAOYSA-N 0 0 451.340 4.445 50 0 JIAARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)C1 ZINC000012533673 556005549 /nfs/dbraw/zinc/00/55/49/556005549.db2.gz GLCULPGAVUOCAI-CALCHBBNSA-N 0 0 450.564 4.260 50 0 JIAARN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000023078108 556005861 /nfs/dbraw/zinc/00/58/61/556005861.db2.gz JPQDYLBKCYSXIJ-HXUWFJFHSA-N 0 0 455.486 4.273 50 0 JIAARN CCOC(=O)c1sc2nc(CSc3nnc(-c4ccncc4)n3C3CC3)nc(N)c2c1C ZINC000012533940 556006115 /nfs/dbraw/zinc/00/61/15/556006115.db2.gz REVXMCOAMPAGRR-UHFFFAOYSA-N 0 0 467.580 4.039 50 0 JIAARN CCOC(=O)Cc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1 ZINC000015787086 556006845 /nfs/dbraw/zinc/00/68/45/556006845.db2.gz RSZLWQAJSRHOOS-UHFFFAOYSA-N 0 0 486.528 4.332 50 0 JIAARN COc1cccc([C@@H](NC(=O)CCCOc2ccc(Br)cc2)c2nccn2C)c1 ZINC000012535783 556008579 /nfs/dbraw/zinc/00/85/79/556008579.db2.gz AGCUZVCYDXJTNL-OAQYLSRUSA-N 0 0 458.356 4.256 50 0 JIAARN CCOC(=O)Cc1ccc(NC(=O)N2CCN(c3nc4cc(F)ccc4n4cccc34)CC2)cc1 ZINC000015821873 556010187 /nfs/dbraw/zinc/01/01/87/556010187.db2.gz XHBSTQAKYVWRQI-UHFFFAOYSA-N 0 0 475.524 4.086 50 0 JIAARN Cc1ccc(Cl)cc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000015822022 556010494 /nfs/dbraw/zinc/01/04/94/556010494.db2.gz QPJUWSNEPONQJE-UHFFFAOYSA-N 0 0 484.021 4.193 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)c2ccccc2Cl)cc1 ZINC000015822669 556010717 /nfs/dbraw/zinc/01/07/17/556010717.db2.gz TWQWZMFGANGVRQ-UHFFFAOYSA-N 0 0 484.021 4.193 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000023118806 556012620 /nfs/dbraw/zinc/01/26/20/556012620.db2.gz ASIQWOXLLCQOQF-UHFFFAOYSA-N 0 0 458.580 4.016 50 0 JIAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000023125668 556014125 /nfs/dbraw/zinc/01/41/25/556014125.db2.gz XJPHFFHRLWXOGI-UHFFFAOYSA-N 0 0 458.561 4.159 50 0 JIAARN CCCNC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c2ccccc2O1 ZINC000012540624 556014264 /nfs/dbraw/zinc/01/42/64/556014264.db2.gz HOTDLHYYGPKSBI-RUZDIDTESA-N 0 0 454.530 4.268 50 0 JIAARN O=C(COC(=O)c1cc(-c2ccccc2)[nH]n1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000012540811 556014671 /nfs/dbraw/zinc/01/46/71/556014671.db2.gz GUCMDBGYBBYJAE-UHFFFAOYSA-N 0 0 475.526 4.300 50 0 JIAARN Cc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(Br)cc4)no3)c2=O)cc1F ZINC000023126325 556015553 /nfs/dbraw/zinc/01/55/53/556015553.db2.gz PTERPUPARJHNPL-UHFFFAOYSA-N 0 0 483.297 4.414 50 0 JIAARN COc1cc(OC)cc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccc(F)c3)no2)c1 ZINC000023126840 556016315 /nfs/dbraw/zinc/01/63/15/556016315.db2.gz NJNOCDWJBILWGF-UHFFFAOYSA-N 0 0 475.523 4.447 50 0 JIAARN O=C(CSc1nnc2c3c4c(sc3ncn12)CCCC4)NCc1ccccc1Br ZINC000015829700 556016354 /nfs/dbraw/zinc/01/63/54/556016354.db2.gz SLKODRAPWWZJOS-UHFFFAOYSA-N 0 0 488.436 4.389 50 0 JIAARN Cc1ccc(SCCNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000015835764 556020686 /nfs/dbraw/zinc/02/06/86/556020686.db2.gz ZZDXZNAGPWUMNL-UHFFFAOYSA-N 0 0 454.617 4.483 50 0 JIAARN Cc1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000015835751 556020739 /nfs/dbraw/zinc/02/07/39/556020739.db2.gz BVJHJMVOMZLCGK-UHFFFAOYSA-N 0 0 498.048 4.188 50 0 JIAARN CC[C@@]1(C)Cc2ccccc2-c2nc3n(CC(=O)Nc4cccc(C)c4)nc(SC)n3c(=O)c21 ZINC000015839197 556022476 /nfs/dbraw/zinc/02/24/76/556022476.db2.gz PDZLQVHKUZXFOV-SANMLTNESA-N 0 0 473.602 4.451 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc3nc(C)n(-c4ccc(Cl)cc4)c(=O)c3c2)cc1OC ZINC000023144023 556022891 /nfs/dbraw/zinc/02/28/91/556022891.db2.gz MKHHWVZGNJZAAX-UHFFFAOYSA-N 0 0 485.949 4.166 50 0 JIAARN CCC1(CC)Cc2ccccc2-c2nc3n(C)nc(SCC(=O)NCc4ccccc4)n3c(=O)c21 ZINC000015839437 556023106 /nfs/dbraw/zinc/02/31/06/556023106.db2.gz ZVVZSZJIQQQJHZ-UHFFFAOYSA-N 0 0 487.629 4.117 50 0 JIAARN Cc1cccc2c(=O)n(CCC(=O)Nc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)cnc12 ZINC000023150375 556023849 /nfs/dbraw/zinc/02/38/49/556023849.db2.gz WGJIVMCBMGEXFA-UHFFFAOYSA-N 0 0 496.976 4.188 50 0 JIAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(Br)c(Br)s2)c1C ZINC000012549215 556028601 /nfs/dbraw/zinc/02/86/01/556028601.db2.gz DAZCVLAYZLOURP-MRVPVSSYSA-N 0 0 493.173 4.433 50 0 JIAARN CCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc(-c4csc(C)n4)c3)cc2C1=O ZINC000023220548 556031782 /nfs/dbraw/zinc/03/17/82/556031782.db2.gz BANKJEZOMGJVRG-UHFFFAOYSA-N 0 0 477.542 4.310 50 0 JIAARN C[C@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000023230174 556032670 /nfs/dbraw/zinc/03/26/70/556032670.db2.gz IBJFDOGBTWPZQG-SJORKVTESA-N 0 0 453.539 4.405 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000023248259 556033999 /nfs/dbraw/zinc/03/39/99/556033999.db2.gz LWEYWVRPZZYGFN-UHFFFAOYSA-N 0 0 459.590 4.398 50 0 JIAARN CCN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)C[C@@H]1CSCN12 ZINC000015862163 556035146 /nfs/dbraw/zinc/03/51/46/556035146.db2.gz VIASYBGSEFVFLU-QRFQSNJMSA-N 0 0 477.508 4.181 50 0 biogenic JIAARN COc1ccc2cc(C(=O)N(C)CC(=O)Nc3ccc(Br)cc3C)c(C)nc2c1 ZINC000012552739 556036405 /nfs/dbraw/zinc/03/64/05/556036405.db2.gz ZTPPLELAHCJGNS-UHFFFAOYSA-N 0 0 456.340 4.333 50 0 JIAARN C[C@@H](c1nc2ccccc2s1)N1CCN(CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000023257776 556036589 /nfs/dbraw/zinc/03/65/89/556036589.db2.gz DRTMKADQNKGQSZ-FUMQJTLXSA-N 0 0 469.655 4.069 50 0 JIAARN C[C@@H](c1nc2ccccc2s1)N1CCN(CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000023257782 556036664 /nfs/dbraw/zinc/03/66/64/556036664.db2.gz DRTMKADQNKGQSZ-UZEJHQAJSA-N 0 0 469.655 4.069 50 0 JIAARN CC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C3CCCC3)CC2)cc1 ZINC000015863248 556037353 /nfs/dbraw/zinc/03/73/53/556037353.db2.gz TWCUBXBIPHJIKI-UHFFFAOYSA-N 0 0 459.550 4.240 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1 ZINC000012554340 556038581 /nfs/dbraw/zinc/03/85/81/556038581.db2.gz DCXFBUXDANBMQJ-UHFFFAOYSA-N 0 0 463.603 4.223 50 0 JIAARN CCn1c(COc2ccc(OC)cc2)nnc1SCc1cc(=O)c2cccc(OC)c2[nH]1 ZINC000015865349 556041666 /nfs/dbraw/zinc/04/16/66/556041666.db2.gz HMMHPKZQRVTZSF-UHFFFAOYSA-N 0 0 452.536 4.028 50 0 JIAARN O=C(COc1ccccc1F)Nc1ccc(OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000015865561 556041895 /nfs/dbraw/zinc/04/18/95/556041895.db2.gz MKBMYUHAYBGXSI-UHFFFAOYSA-N 0 0 453.857 4.084 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)S(=O)(=O)c2cccc3nsnc32)c1C ZINC000015865685 556042255 /nfs/dbraw/zinc/04/22/55/556042255.db2.gz JYYDAXNKMQPUHK-UHFFFAOYSA-N 0 0 498.630 4.247 50 0 JIAARN Cc1nn(-c2nncc(-c3ccccc3)n2)c2c1[C@@H](c1ccc(Br)c(F)c1)CC(=O)N2 ZINC000015868021 556044476 /nfs/dbraw/zinc/04/44/76/556044476.db2.gz ZZANCLDJPWYXKA-OAHLLOKOSA-N 0 0 479.313 4.408 50 0 JIAARN COc1cccc(CN2CC(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc3S2(=O)=O)c1 ZINC000015868455 556045681 /nfs/dbraw/zinc/04/56/81/556045681.db2.gz WXPRWYDNZDLLOO-UHFFFAOYSA-N 0 0 490.503 4.452 50 0 JIAARN Cc1ccccc1-n1c(=S)n(CN(C)Cc2ccc(Cl)s2)nc1N1CCOCC1 ZINC000012557593 556045701 /nfs/dbraw/zinc/04/57/01/556045701.db2.gz DNISHABGQMNLKN-UHFFFAOYSA-N 0 0 450.033 4.353 50 0 JIAARN CN1C(=S)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cccc(OCCO)c1 ZINC000023336312 556046139 /nfs/dbraw/zinc/04/61/39/556046139.db2.gz PMJZJAVLTXGRAU-JJIBRWJFSA-N 0 0 460.555 4.241 50 0 JIAARN COc1cc([C@H]2NC(=S)N(c3cccc(C)c3)C(C)=C2C(=O)N(C)C)ccc1OC(F)F ZINC000012557922 556046521 /nfs/dbraw/zinc/04/65/21/556046521.db2.gz XLSSNGXMLYILMY-HXUWFJFHSA-N 0 0 461.534 4.403 50 0 JIAARN COc1cc(NC(=O)c2ccc(-n3nnnc3SCc3ccc(F)cc3)cc2)cc(OC)c1OC ZINC000015869219 556048722 /nfs/dbraw/zinc/04/87/22/556048722.db2.gz YDXWWSRNLXDBLQ-UHFFFAOYSA-N 0 0 495.536 4.372 50 0 JIAARN O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012559689 556050389 /nfs/dbraw/zinc/05/03/89/556050389.db2.gz BDQDGSIDUCWNLS-UHFFFAOYSA-N 0 0 499.807 4.184 50 0 JIAARN COc1ccc(CCNC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1OC ZINC000015880626 556052542 /nfs/dbraw/zinc/05/25/42/556052542.db2.gz JWRDNSSHVUYWBP-UHFFFAOYSA-N 0 0 474.970 4.359 50 0 JIAARN CCc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cc1 ZINC000012560998 556053827 /nfs/dbraw/zinc/05/38/27/556053827.db2.gz CIBIYUHSDRGYSS-UHFFFAOYSA-N 0 0 452.532 4.463 50 0 JIAARN COc1ccc(C(=O)N2CCN(c3nc4ccc(Br)cc4s3)CC2)c(OC)c1 ZINC000015882401 556056154 /nfs/dbraw/zinc/05/61/54/556056154.db2.gz PDEJEFSEKUUDTB-UHFFFAOYSA-N 0 0 462.369 4.038 50 0 JIAARN CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc4c(ccc(Cl)c4C)s3)CC2)c1 ZINC000015882506 556056917 /nfs/dbraw/zinc/05/69/17/556056917.db2.gz RBESNZXZAMLVFP-UHFFFAOYSA-N 0 0 464.012 4.014 50 0 JIAARN O=C(c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015883332 556058092 /nfs/dbraw/zinc/05/80/92/556058092.db2.gz BHVJIFMXLYTTJH-UHFFFAOYSA-N 0 0 476.939 4.200 50 0 JIAARN COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ccc(Cl)cc2)c(OC)c1 ZINC000015883914 556059122 /nfs/dbraw/zinc/05/91/22/556059122.db2.gz WOVZYHWPPCEYMN-UHFFFAOYSA-N 0 0 474.966 4.459 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(C(=O)c3ccc(OC)cc3OC)CC2)n1 ZINC000023444501 556061752 /nfs/dbraw/zinc/06/17/52/556061752.db2.gz MDAYSNIEGPQWDM-UHFFFAOYSA-N 0 0 481.524 4.360 50 0 JIAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2nccc(-c3ccc(N4CCOCC4)cc3)n2)CC1 ZINC000023445769 556062725 /nfs/dbraw/zinc/06/27/25/556062725.db2.gz UQWUQLYYXRSONF-UHFFFAOYSA-N 0 0 498.414 4.249 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2nc3nnc(C)c-3c(N)n2-c2cccc(Cl)c2C)c1 ZINC000015905830 556062984 /nfs/dbraw/zinc/06/29/84/556062984.db2.gz KBXJVZFOXFRIRY-UHFFFAOYSA-N 0 0 498.996 4.246 50 0 JIAARN COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000012566479 556064396 /nfs/dbraw/zinc/06/43/96/556064396.db2.gz BKJHLDKRCBHDCF-NRFANRHFSA-N 0 0 495.359 4.399 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2[C@@H]2CCCC[C@H]2C)cc1 ZINC000012566714 556065025 /nfs/dbraw/zinc/06/50/25/556065025.db2.gz LMCQMAISIVVNIB-CRAIPNDOSA-N 0 0 459.616 4.421 50 0 JIAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(c2nccc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000023451019 556065651 /nfs/dbraw/zinc/06/56/51/556065651.db2.gz JCMIVLYEQVYOKM-UHFFFAOYSA-N 0 0 482.915 4.327 50 0 JIAARN O=C([C@H](Oc1ccc(Br)cc1Br)c1ccccc1)N1CCOCC1 ZINC000012567225 556065986 /nfs/dbraw/zinc/06/59/86/556065986.db2.gz LLZNOANZYRWQSS-QGZVFWFLSA-N 0 0 455.146 4.191 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)C4CCC4)CC3)cc2)n(-c2ccccc2OC)n1 ZINC000023452211 556066335 /nfs/dbraw/zinc/06/63/35/556066335.db2.gz VSHRZTWIGPBXEE-UHFFFAOYSA-N 0 0 488.588 4.173 50 0 JIAARN Cc1ccccc1/C=C1\Sc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2N(C)C1=O ZINC000015935293 556073089 /nfs/dbraw/zinc/07/30/89/556073089.db2.gz CEKKTPSGEJKGNH-MOHJPFBDSA-N 0 0 470.598 4.462 50 0 JIAARN CCn1c2cc(NC(=O)c3cc(Br)ccc3OC)c(N3CCCC3)cc2n(CC)c1=O ZINC000015936834 556074843 /nfs/dbraw/zinc/07/48/43/556074843.db2.gz NNRYZIXRYDNVQV-UHFFFAOYSA-N 0 0 487.398 4.466 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)COC(=O)c1ccccc1Cl ZINC000023551974 556077884 /nfs/dbraw/zinc/07/78/84/556077884.db2.gz XWASIWVVYHTQDW-UHFFFAOYSA-N 0 0 463.239 4.266 50 0 JIAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCc1cc(=O)oc2cc(O)ccc12 ZINC000023556496 556078250 /nfs/dbraw/zinc/07/82/50/556078250.db2.gz XABKFEZBGAVGRN-UHFFFAOYSA-N 0 0 460.364 4.069 50 0 JIAARN CC(=O)N(c1nc(COC(=O)CN2CCCCCC2=O)cs1)c1cccc(C(F)(F)F)c1 ZINC000023583075 556079182 /nfs/dbraw/zinc/07/91/82/556079182.db2.gz OZXAYQXPXBZLKR-UHFFFAOYSA-N 0 0 469.485 4.292 50 0 JIAARN CCCn1c(CNc2cccc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012582379 556080110 /nfs/dbraw/zinc/08/01/10/556080110.db2.gz HKXWTCZKRVCISE-UHFFFAOYSA-N 0 0 464.591 4.233 50 0 JIAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)N[C@H](C)CCc3ccccc3)c(C)o2)cc1OC ZINC000015944326 556080535 /nfs/dbraw/zinc/08/05/35/556080535.db2.gz JFDSWNVPWSBOMS-JSRFKQPZSA-N 0 0 470.591 4.053 50 0 JIAARN O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc21)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000023640262 556081405 /nfs/dbraw/zinc/08/14/05/556081405.db2.gz XPUMWRYAXHEQAD-UHFFFAOYSA-N 0 0 479.005 4.118 50 0 JIAARN COc1ccc(-c2cc(C(=O)OCC(=O)NC(=O)NCc3ccccc3)c3ccccc3n2)cc1OC ZINC000012588681 556085302 /nfs/dbraw/zinc/08/53/02/556085302.db2.gz NFTAKOXNEZBARW-UHFFFAOYSA-N 0 0 499.523 4.102 50 0 JIAARN CCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2cccc3cc(C)cnc32)CC1 ZINC000023770877 556087838 /nfs/dbraw/zinc/08/78/38/556087838.db2.gz XGWYARXQTQOVGY-UHFFFAOYSA-N 0 0 469.582 4.132 50 0 JIAARN COc1cc(NC(=O)[C@@H](C)Sc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)cc(OC)c1 ZINC000012593265 556088546 /nfs/dbraw/zinc/08/85/46/556088546.db2.gz JPGDACDWKIEADA-LSDHHAIUSA-N 0 0 473.574 4.166 50 0 JIAARN O=C(NCCc1ccc2c(c1)OCCO2)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023820113 556090482 /nfs/dbraw/zinc/09/04/82/556090482.db2.gz YNUGIOCJWOBTCD-UHFFFAOYSA-N 0 0 469.891 4.100 50 0 JIAARN CC(C)Oc1ccc(C(=O)NCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000015980404 556099242 /nfs/dbraw/zinc/09/92/42/556099242.db2.gz FWJPOYGLSVBBHW-UHFFFAOYSA-N 0 0 471.601 4.137 50 0 JIAARN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 ZINC000023892639 556099286 /nfs/dbraw/zinc/09/92/86/556099286.db2.gz ORNSELMXAZESMN-UHFFFAOYSA-N 0 0 489.601 4.044 50 0 JIAARN CCCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC ZINC000015998487 556103674 /nfs/dbraw/zinc/10/36/74/556103674.db2.gz NVXWNABYAYMTGQ-UHFFFAOYSA-N 0 0 466.559 4.488 50 0 JIAARN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000015999319 556104702 /nfs/dbraw/zinc/10/47/02/556104702.db2.gz USLXYLBZAWHKFL-XQNUDUSMSA-N 0 0 490.774 4.386 50 0 JIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000012735231 556105198 /nfs/dbraw/zinc/10/51/98/556105198.db2.gz IGENKPHHXJZMCQ-JOCHJYFZSA-N 0 0 488.009 4.417 50 0 JIAARN O=S(=O)(NCCOc1ccc(-c2ccccc2)nn1)c1cc(C(F)(F)F)ccc1Cl ZINC000023960808 556106899 /nfs/dbraw/zinc/10/68/99/556106899.db2.gz QHINDTVNWMITOZ-UHFFFAOYSA-N 0 0 457.861 4.173 50 0 JIAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CN3CC=C(c4ccccc4)CC3)C2=O)cc1 ZINC000023968171 556108144 /nfs/dbraw/zinc/10/81/44/556108144.db2.gz OWAGOBYXAQZQRG-UHFFFAOYSA-N 0 0 483.568 4.246 50 0 JIAARN Cc1sc2[nH]c(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)nc(=O)c2c1C ZINC000023968450 556109026 /nfs/dbraw/zinc/10/90/26/556109026.db2.gz DTPQKULZXIXTAQ-CYBMUJFWSA-N 0 0 459.622 4.393 50 0 JIAARN O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000023982410 556110100 /nfs/dbraw/zinc/11/01/00/556110100.db2.gz ROAHFOLZQVLTLH-UHFFFAOYSA-N 0 0 496.434 4.262 50 0 JIAARN COc1ccc(OCCN2CCN(C(=O)c3cc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000023982763 556110320 /nfs/dbraw/zinc/11/03/20/556110320.db2.gz LDVVJXHTBCHPBW-UHFFFAOYSA-N 0 0 468.557 4.142 50 0 JIAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016012262 556111271 /nfs/dbraw/zinc/11/12/71/556111271.db2.gz PRQCOHVPGGEQMN-PCQCASEHSA-N 0 0 490.774 4.386 50 0 JIAARN COc1ccc(N2C(=O)CC[C@H](C(=O)N=c3[nH]c4ccccc4[nH]3)[C@@H]2c2ccccc2OC)cc1 ZINC000016019827 556113020 /nfs/dbraw/zinc/11/30/20/556113020.db2.gz RFJYLEROYBHWNG-CPJSRVTESA-N 0 0 470.529 4.125 50 0 JIAARN Cc1cc(O)c([C@@H](c2cccnc2)N2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccccc1 ZINC000024022710 556116590 /nfs/dbraw/zinc/11/65/90/556116590.db2.gz BPQIVBWBRYZQPP-MUUNZHRXSA-N 0 0 484.575 4.356 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000016037939 556120355 /nfs/dbraw/zinc/12/03/55/556120355.db2.gz QSURCAARSSEEPH-LIONHTAISA-N 0 0 450.494 4.094 50 0 JIAARN COc1ccc(COC[C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000024095738 556121279 /nfs/dbraw/zinc/12/12/79/556121279.db2.gz RIHNBGGBWJYEPO-JOCHJYFZSA-N 0 0 475.994 4.117 50 0 JIAARN Cc1cc(C2=NN=C(Nc3c(C)n(C)n(-c4ccccc4)c3=O)SC2)c(C)n1C[C@@H]1CCCO1 ZINC000016044733 556125104 /nfs/dbraw/zinc/12/51/04/556125104.db2.gz TVOLFKWZINWTGT-FQEVSTJZSA-N 0 0 478.622 4.001 50 0 JIAARN CS(=O)(=O)c1ccccc1C(=O)Nc1ncc(Cc2ccccc2Br)s1 ZINC000012908553 556127757 /nfs/dbraw/zinc/12/77/57/556127757.db2.gz XSLWMGZEUSQVRH-UHFFFAOYSA-N 0 0 451.367 4.152 50 0 JIAARN O=C1COc2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCCC3)cc2N1 ZINC000024262588 556128273 /nfs/dbraw/zinc/12/82/73/556128273.db2.gz KDTFJWKCXXHEKJ-UHFFFAOYSA-N 0 0 469.485 4.218 50 0 JIAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2Br)OCO4)N3)C1 ZINC000016185297 556128319 /nfs/dbraw/zinc/12/83/19/556128319.db2.gz YQAHKMNFPCSYQI-MRXNPFEDSA-N 0 0 480.340 4.183 50 0 JIAARN Cc1ccccc1C(=O)N1CCC(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000012910716 556129560 /nfs/dbraw/zinc/12/95/60/556129560.db2.gz UAEXAJPFDHOALR-UHFFFAOYSA-N 0 0 486.410 4.015 50 0 JIAARN Cc1cccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1C ZINC000012911863 556130722 /nfs/dbraw/zinc/13/07/22/556130722.db2.gz JKVNLGIYTOWWKF-UHFFFAOYSA-N 0 0 486.410 4.015 50 0 JIAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)OCc3cc(C)no3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000024421062 556130897 /nfs/dbraw/zinc/13/08/97/556130897.db2.gz DNVOLZXUSFBCQG-BWKNWUBXSA-N 0 0 480.517 4.237 50 0 JIAARN Cc1ccc(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)cc1I ZINC000012912291 556131540 /nfs/dbraw/zinc/13/15/40/556131540.db2.gz HRYPJOBYILUCHF-INIZCTEOSA-N 0 0 470.376 4.281 50 0 JIAARN Cn1c2ccccc2c(C(=O)CSc2nnc(SCC(N)=O)s2)c1-c1ccccc1 ZINC000024497165 556132826 /nfs/dbraw/zinc/13/28/26/556132826.db2.gz PLFCVAFCHRXNAJ-UHFFFAOYSA-N 0 0 454.602 4.249 50 0 JIAARN C[C@H](Oc1ccc(F)cc1)c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)o1 ZINC000012914731 556133975 /nfs/dbraw/zinc/13/39/75/556133975.db2.gz HBRGVTXQGQAZFZ-QWRGUYRKSA-N 0 0 476.555 4.117 50 0 JIAARN COC(=O)C[C@H](NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1)c1ccccc1Cl ZINC000012915763 556134938 /nfs/dbraw/zinc/13/49/38/556134938.db2.gz ASJMBKUWOWAJHW-NRFANRHFSA-N 0 0 467.953 4.201 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000012916123 556135487 /nfs/dbraw/zinc/13/54/87/556135487.db2.gz RJJUEWPNXADFRX-GOSISDBHSA-N 0 0 471.804 4.234 50 0 JIAARN CCn1c(SCC(=O)N(C)C[C@@H]2COc3ccccc3O2)nnc1-c1cccc(Cl)c1 ZINC000012916421 556135490 /nfs/dbraw/zinc/13/54/90/556135490.db2.gz KCXKAIIABXLAJS-QGZVFWFLSA-N 0 0 458.971 4.009 50 0 JIAARN Cc1cc(C)n2nc(Sc3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)nc2n1 ZINC000012918649 556137656 /nfs/dbraw/zinc/13/76/56/556137656.db2.gz DRWHEFDMWFNSKS-UHFFFAOYSA-N 0 0 489.630 4.396 50 0 JIAARN CCc1sc(C(=O)N(C)CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1C ZINC000024601747 556138019 /nfs/dbraw/zinc/13/80/19/556138019.db2.gz BOJSTYDFQSRCTM-UHFFFAOYSA-N 0 0 488.963 4.107 50 0 JIAARN CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000012919662 556138787 /nfs/dbraw/zinc/13/87/87/556138787.db2.gz MERPKRSSRXIMKT-UHFFFAOYSA-N 0 0 495.004 4.171 50 0 JIAARN CCN(CC)C(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607314 556139148 /nfs/dbraw/zinc/13/91/48/556139148.db2.gz SROXRVNFUONTLJ-UHFFFAOYSA-N 0 0 492.041 4.003 50 0 JIAARN O=C(NCCSCc1ccccc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613426 556141997 /nfs/dbraw/zinc/14/19/97/556141997.db2.gz NBZWOBLSHQXXGA-UHFFFAOYSA-N 0 0 485.046 4.071 50 0 JIAARN CCOc1cc2ccccc2cc1C(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC000012924015 556142524 /nfs/dbraw/zinc/14/25/24/556142524.db2.gz VKLOBFCLNVKMJA-HSZRJFAPSA-N 0 0 464.562 4.059 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)N1CCC(Cc2ccccc2)CC1 ZINC000012924912 556143026 /nfs/dbraw/zinc/14/30/26/556143026.db2.gz IKFSQZYXYWQMSK-QFIPXVFZSA-N 0 0 477.630 4.149 50 0 JIAARN CCCN1C(=O)C(c2c(=O)n(-c3cccc(Cl)c3)[n-]c2C(C)C)=C([n+]2cccc(CC)c2)C1=O ZINC000016571144 556143766 /nfs/dbraw/zinc/14/37/66/556143766.db2.gz QIHFRKLYLJIDPU-UHFFFAOYSA-O 0 0 479.988 4.352 50 0 JIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 ZINC000012926199 556144558 /nfs/dbraw/zinc/14/45/58/556144558.db2.gz GLOXIJQCWVRQAJ-XMMPIXPASA-N 0 0 486.634 4.085 50 0 JIAARN Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)c3nc4ccccc4[nH]3)ccc12 ZINC000024729341 556147375 /nfs/dbraw/zinc/14/73/75/556147375.db2.gz MEWNZYKHMHDDKG-QHCPKHFHSA-N 0 0 453.498 4.457 50 0 biogenic JIAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N(CCc3ccccc3)Cc3cccs3)cc(C3CC3)nc21 ZINC000024749242 556148685 /nfs/dbraw/zinc/14/86/85/556148685.db2.gz JDGXSRPRLQXZHA-UHFFFAOYSA-N 0 0 488.613 4.319 50 0 JIAARN CCOc1ccccc1OCCCC(=O)N1CCC[C@H]1C(=O)Nc1nc2ccccc2s1 ZINC000012934310 556150244 /nfs/dbraw/zinc/15/02/44/556150244.db2.gz JTZXUVWNCJZYLV-SFHVURJKSA-N 0 0 453.564 4.484 50 0 JIAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000012940717 556154640 /nfs/dbraw/zinc/15/46/40/556154640.db2.gz IYZDYRWXENZHJW-UHFFFAOYSA-N 0 0 468.575 4.082 50 0 JIAARN O=C(CCc1nc2ccccc2o1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000024775847 556154910 /nfs/dbraw/zinc/15/49/10/556154910.db2.gz PQIGGVUXPHZFLP-UHFFFAOYSA-N 0 0 493.541 4.361 50 0 JIAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCN(C(=O)c3ccc4ccccc4c3)CC1)C2=O ZINC000012943133 556155653 /nfs/dbraw/zinc/15/56/53/556155653.db2.gz AQAZMMMYGLRXOM-UHFFFAOYSA-N 0 0 490.648 4.472 50 0 JIAARN COCCNC(=O)/C(=C\c1ccc(-c2cccc(Cl)c2)o1)NC(=O)c1ccc(OC)cc1 ZINC000012946365 556157711 /nfs/dbraw/zinc/15/77/11/556157711.db2.gz IUWAQOLPSFKYJO-RCCKNPSSSA-N 0 0 454.910 4.142 50 0 JIAARN COc1cc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)ccc1OC(F)F ZINC000024836804 556159288 /nfs/dbraw/zinc/15/92/88/556159288.db2.gz FUBKGSARBPHOOG-GOSISDBHSA-N 0 0 487.425 4.035 50 0 JIAARN CCOc1ccc(OCCNC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000024837820 556159656 /nfs/dbraw/zinc/15/96/56/556159656.db2.gz WXUMWZLCBWOZDG-UHFFFAOYSA-N 0 0 478.368 4.185 50 0 JIAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)NOCc3ccccc3)[C@H]2c2ccccc2OC)cc1 ZINC000012952745 556160737 /nfs/dbraw/zinc/16/07/37/556160737.db2.gz BIDKAPLOKDATHN-ZEQKJWHPSA-N 0 0 460.530 4.436 50 0 JIAARN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2nc(CN3CCOCC3)cs2)c1 ZINC000024843982 556160857 /nfs/dbraw/zinc/16/08/57/556160857.db2.gz OSJILBYLUAPBJY-UHFFFAOYSA-N 0 0 493.564 4.228 50 0 JIAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 ZINC000012953480 556161039 /nfs/dbraw/zinc/16/10/39/556161039.db2.gz TWVWMROSUZYNFT-UHFFFAOYSA-N 0 0 457.577 4.026 50 0 JIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000024861297 556161260 /nfs/dbraw/zinc/16/12/60/556161260.db2.gz XSBLRNRMSGRAKR-HNNXBMFYSA-N 0 0 454.379 4.147 50 0 JIAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000024884041 556162207 /nfs/dbraw/zinc/16/22/07/556162207.db2.gz VIAZORILRAZMBB-UHFFFAOYSA-N 0 0 450.495 4.198 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2c3ccccc3CC[C@@H]2C)c1 ZINC000024927750 556164103 /nfs/dbraw/zinc/16/41/03/556164103.db2.gz QZDMERGVAHYZOP-INIZCTEOSA-N 0 0 450.004 4.150 50 0 JIAARN COC(=O)c1occc1CSc1nc2ccccc2c(=O)n1-c1ccc(OC)c(OC)c1 ZINC000024966798 556165368 /nfs/dbraw/zinc/16/53/68/556165368.db2.gz RMQDVEPWUZSEAC-UHFFFAOYSA-N 0 0 452.488 4.075 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000012974423 556166093 /nfs/dbraw/zinc/16/60/93/556166093.db2.gz QZTWDZQDTLZSQV-QHCPKHFHSA-N 0 0 467.591 4.062 50 0 JIAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2OC)cc1 ZINC000024973093 556166549 /nfs/dbraw/zinc/16/65/49/556166549.db2.gz KITKLROQINYRDC-JOCHJYFZSA-N 0 0 466.559 4.203 50 0 JIAARN CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000024979249 556167694 /nfs/dbraw/zinc/16/76/94/556167694.db2.gz XRJGIMAPZNTMPA-GOSISDBHSA-N 0 0 472.607 4.039 50 0 JIAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(I)cc2)c(C)c1 ZINC000012975704 556168148 /nfs/dbraw/zinc/16/81/48/556168148.db2.gz HEOJAUAQQWCMFC-UHFFFAOYSA-N 0 0 492.357 4.276 50 0 JIAARN O=C(Nc1cccc(Cl)c1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000016846369 556168461 /nfs/dbraw/zinc/16/84/61/556168461.db2.gz VIDPMDNOABYZIA-UHFFFAOYSA-N 0 0 479.986 4.304 50 0 JIAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000024987128 556170005 /nfs/dbraw/zinc/17/00/05/556170005.db2.gz MVYUNLGDVUYZTH-UHFFFAOYSA-N 0 0 484.522 4.100 50 0 JIAARN O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000012977830 556170460 /nfs/dbraw/zinc/17/04/60/556170460.db2.gz VKCNFXDJQOQLQJ-UHFFFAOYSA-N 0 0 487.796 4.203 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)NCc3nnc4nc(C)cc(C)n34)c12 ZINC000024989135 556170624 /nfs/dbraw/zinc/17/06/24/556170624.db2.gz SARJEEKZUBRERG-UHFFFAOYSA-N 0 0 494.584 4.442 50 0 JIAARN CCOc1cc2c(cc1CNC(=O)c1cc(OC)c(Br)c(OC)c1)O[C@@H](C)C2 ZINC000012979039 556171730 /nfs/dbraw/zinc/17/17/30/556171730.db2.gz RFRVBWUUZWTEJM-LBPRGKRZSA-N 0 0 450.329 4.118 50 0 JIAARN C[C@H](NC(=O)c1ccc2c(c1)OCO2)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891084 556172113 /nfs/dbraw/zinc/17/21/13/556172113.db2.gz DAKZOQRZAHWKLX-BXKMTCNYSA-N 0 0 467.566 4.298 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)ccc1F ZINC000012979701 556172691 /nfs/dbraw/zinc/17/26/91/556172691.db2.gz UQHOZMGOYQZVAD-UHFFFAOYSA-N 0 0 484.475 4.313 50 0 JIAARN Cc1cccc(-c2nnc(SCC(=O)NCCC(c3ccccc3)c3ccccc3)n2CC(N)=O)c1 ZINC000012979654 556172702 /nfs/dbraw/zinc/17/27/02/556172702.db2.gz VMMHJGVGNWFTRV-UHFFFAOYSA-N 0 0 499.640 4.169 50 0 JIAARN CCN(C(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)c1ccccc1 ZINC000012980846 556173987 /nfs/dbraw/zinc/17/39/87/556173987.db2.gz ZDBFZTBVSPOOPI-UHFFFAOYSA-N 0 0 473.602 4.405 50 0 JIAARN O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000025050059 556174532 /nfs/dbraw/zinc/17/45/32/556174532.db2.gz PDZFSYKKJYYWHE-UHFFFAOYSA-N 0 0 465.600 4.134 50 0 JIAARN COc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000016903010 556175015 /nfs/dbraw/zinc/17/50/15/556175015.db2.gz XLGGBAHDRDQTIE-NQIIRXRSSA-N 0 0 475.520 4.144 50 0 JIAARN O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000012982149 556175448 /nfs/dbraw/zinc/17/54/48/556175448.db2.gz HIOIJCXEZKYOBM-UHFFFAOYSA-N 0 0 477.417 4.128 50 0 JIAARN C[C@]1(CSc2ccccc2C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)NC(=O)NC1=O ZINC000025056513 556176130 /nfs/dbraw/zinc/17/61/30/556176130.db2.gz YNMZUFYKWMGESL-OYLFLEFRSA-N 0 0 480.615 4.006 50 0 JIAARN O=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000025066476 556178431 /nfs/dbraw/zinc/17/84/31/556178431.db2.gz LENTUEYBENKZAX-UHFFFAOYSA-N 0 0 486.557 4.202 50 0 JIAARN O=C(CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000012986522 556180522 /nfs/dbraw/zinc/18/05/22/556180522.db2.gz UBQHFLRAVRNJMQ-UHFFFAOYSA-N 0 0 468.768 4.254 50 0 JIAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)NCc4ccccc4)s3)[C@@H](c3ccco3)C2)cc1 ZINC000012991936 556184358 /nfs/dbraw/zinc/18/43/58/556184358.db2.gz LRKMSGCMVKIIJD-GGAORHGYSA-N 0 0 488.569 4.144 50 0 JIAARN COc1ccc(CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)cc1 ZINC000016953650 556184542 /nfs/dbraw/zinc/18/45/42/556184542.db2.gz DTAOBHXPORYAJF-UHFFFAOYSA-N 0 0 454.523 4.157 50 0 JIAARN COc1ccc(CCC(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)CC3)cc1 ZINC000016953688 556184573 /nfs/dbraw/zinc/18/45/73/556184573.db2.gz JNBPQRVSIXGBRL-UHFFFAOYSA-N 0 0 450.560 4.014 50 0 JIAARN Cc1ccc(F)cc1C(=O)N1CCN(c2nc3nccc(-c4ccc(C(C)(C)C)cc4)n3n2)CC1 ZINC000025146023 556184760 /nfs/dbraw/zinc/18/47/60/556184760.db2.gz UXNJRYGOUWYQJB-UHFFFAOYSA-N 0 0 472.568 4.499 50 0 JIAARN CCOc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000012993023 556185051 /nfs/dbraw/zinc/18/50/51/556185051.db2.gz WOJPGBRISCNPKX-QFIPXVFZSA-N 0 0 478.561 4.128 50 0 JIAARN COc1ccc(-c2cc(=O)[nH]c(SCc3nc(-c4cccc(OC)c4OC)no3)n2)cc1 ZINC000016954636 556185975 /nfs/dbraw/zinc/18/59/75/556185975.db2.gz LNYNDJWSZCWUFR-UHFFFAOYSA-N 0 0 452.492 4.217 50 0 JIAARN COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(Cl)c(Cl)c4)n3n2)cc1 ZINC000016954894 556186313 /nfs/dbraw/zinc/18/63/13/556186313.db2.gz IFRRDAKHZPGIBG-UHFFFAOYSA-N 0 0 483.402 4.294 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)ccc1C ZINC000012994474 556186743 /nfs/dbraw/zinc/18/67/43/556186743.db2.gz HVZJYVGISBPQSL-NRFANRHFSA-N 0 0 472.607 4.164 50 0 JIAARN O=c1c2ccccc2nc(CN2CCOCC2)n1Cc1nc(-c2ccc(Cl)cc2)cs1 ZINC000012996301 556189071 /nfs/dbraw/zinc/18/90/71/556189071.db2.gz JTYCXFHIPZVROS-UHFFFAOYSA-N 0 0 452.967 4.054 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1 ZINC000012997193 556189727 /nfs/dbraw/zinc/18/97/27/556189727.db2.gz MDAHJBAUXGQEFW-UHFFFAOYSA-N 0 0 472.876 4.047 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)n(-c2ccccn2)n1 ZINC000025150499 556190922 /nfs/dbraw/zinc/19/09/22/556190922.db2.gz UWEUTFHAIURWHG-UHFFFAOYSA-N 0 0 495.583 4.382 50 0 JIAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c2c1 ZINC000013000302 556192832 /nfs/dbraw/zinc/19/28/32/556192832.db2.gz PXJBXPDEJRGGGA-UHFFFAOYSA-N 0 0 492.645 4.089 50 0 JIAARN COc1ccccc1NC(=O)c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000016973861 556192849 /nfs/dbraw/zinc/19/28/49/556192849.db2.gz MLYLUNPACNMBHK-UHFFFAOYSA-N 0 0 450.498 4.448 50 0 JIAARN COc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3n2)cc1 ZINC000016992864 556196681 /nfs/dbraw/zinc/19/66/81/556196681.db2.gz ALKWWFHLGRTJPT-IBGZPJMESA-N 0 0 494.548 4.166 50 0 JIAARN Cc1cc(O)c([C@@H](c2ccccc2)N2CCN(c3ccccc3F)CC2)c(=O)n1Cc1cccnc1 ZINC000016993853 556198341 /nfs/dbraw/zinc/19/83/41/556198341.db2.gz SLOWMGPJDVOJIN-MUUNZHRXSA-N 0 0 484.575 4.356 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(F)c(C)c4)ccc32)cc1 ZINC000017011190 556200827 /nfs/dbraw/zinc/20/08/27/556200827.db2.gz BCIXZNLQWFKHMC-UHFFFAOYSA-N 0 0 490.578 4.085 50 0 JIAARN COc1cc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)c(C)cc1C ZINC000013010154 556202249 /nfs/dbraw/zinc/20/22/49/556202249.db2.gz TZAHIAZEPVEELI-UHFFFAOYSA-N 0 0 478.578 4.449 50 0 JIAARN CC[S@@](=O)c1ccccc1C(=O)OCC(=O)c1cc(C)n(C[C@H]2COc3ccccc3O2)c1C ZINC000025256515 556206463 /nfs/dbraw/zinc/20/64/63/556206463.db2.gz WPTDIYWAQCHUNO-WAUFSOIDSA-N 0 0 481.570 4.112 50 0 JIAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)c3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000013016092 556207603 /nfs/dbraw/zinc/20/76/03/556207603.db2.gz NGTGOSGXVSRDAD-UHFFFAOYSA-N 0 0 494.931 4.044 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)n2C[C@@H]2CCCO2)cc1 ZINC000013016369 556208345 /nfs/dbraw/zinc/20/83/45/556208345.db2.gz BXJLHJWNKJISOZ-JTHBVZDNSA-N 0 0 478.618 4.419 50 0 JIAARN O=C(Nc1nc(-c2cc3cc(Br)ccc3oc2=O)cs1)c1n[nH]c(=O)c2ccccc21 ZINC000013017785 556210028 /nfs/dbraw/zinc/21/00/28/556210028.db2.gz BULVGLIZZHEQTR-UHFFFAOYSA-N 0 0 495.314 4.168 50 0 JIAARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc(SC)nn32)c(OC)c1OC ZINC000017044491 556210419 /nfs/dbraw/zinc/21/04/19/556210419.db2.gz UUDFLUUQAMNAPI-GOSISDBHSA-N 0 0 485.541 4.093 50 0 JIAARN Cc1ccc(-c2cc3c(SCC(=O)N4CCN(c5ccc(F)cc5)CC4)nccn3n2)cc1 ZINC000017051494 556212643 /nfs/dbraw/zinc/21/26/43/556212643.db2.gz CWCPMSUZHVXCMI-UHFFFAOYSA-N 0 0 461.566 4.285 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(C)cc3)cc(C(=O)NCc3ccc(F)cc3)c12 ZINC000017051395 556212702 /nfs/dbraw/zinc/21/27/02/556212702.db2.gz ZPSRBXMCMCOFLS-OAQYLSRUSA-N 0 0 492.576 4.144 50 0 JIAARN COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc(C)c(C)c3)s2)cc1OC ZINC000017052740 556213731 /nfs/dbraw/zinc/21/37/31/556213731.db2.gz ZOQWKWWWWGCHEA-UHFFFAOYSA-N 0 0 453.564 4.050 50 0 JIAARN Cc1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)n1 ZINC000017053539 556214153 /nfs/dbraw/zinc/21/41/53/556214153.db2.gz RVZFIQGLHVJTNM-UHFFFAOYSA-N 0 0 475.459 4.163 50 0 JIAARN O=C(NCc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000017070127 556215098 /nfs/dbraw/zinc/21/50/98/556215098.db2.gz ZJVIXFGWBWMAAY-UHFFFAOYSA-N 0 0 496.338 4.228 50 0 JIAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)cc(I)c1O ZINC000017086056 556216105 /nfs/dbraw/zinc/21/61/05/556216105.db2.gz YIKLNFAMXRHQHE-PWJLMRLQSA-N 0 0 470.332 4.046 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)ccc2Cl)C[C@@H](C)O1 ZINC000025536124 556219358 /nfs/dbraw/zinc/21/93/58/556219358.db2.gz PJWRTHOEAGAAJI-WHSLLNHNSA-N 0 0 480.989 4.254 50 0 JIAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000025541285 556219620 /nfs/dbraw/zinc/21/96/20/556219620.db2.gz RANFWEPYJRWPNM-LAUBAEHRSA-N 0 0 450.963 4.244 50 0 JIAARN Cc1cc(C(=O)OCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)c(C)n1C1CC1 ZINC000017131476 556221328 /nfs/dbraw/zinc/22/13/28/556221328.db2.gz FSOPGXCLHGWRTE-UHFFFAOYSA-N 0 0 487.622 4.189 50 0 JIAARN Cc1cc(NC(=O)COc2cccc(C)c2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1 ZINC000017135466 556221702 /nfs/dbraw/zinc/22/17/02/556221702.db2.gz VOGMZORVPYZBHV-UHFFFAOYSA-N 0 0 473.924 4.289 50 0 JIAARN O=S(=O)(NC[C@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 ZINC000013028342 556221913 /nfs/dbraw/zinc/22/19/13/556221913.db2.gz JKQQTHFVKJXKKP-FQEVSTJZSA-N 0 0 471.995 4.128 50 0 JIAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)NCCc1c[nH]c2ccccc12 ZINC000013030029 556224757 /nfs/dbraw/zinc/22/47/57/556224757.db2.gz KPCBPGZGGRFEGU-FQEVSTJZSA-N 0 0 479.581 4.196 50 0 JIAARN O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000017150023 556227346 /nfs/dbraw/zinc/22/73/46/556227346.db2.gz NJSHBZWYLICQLM-UHFFFAOYSA-N 0 0 480.970 4.421 50 0 JIAARN Cc1cccc(-c2nc(CC(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)cs2)c1 ZINC000025609136 556227703 /nfs/dbraw/zinc/22/77/03/556227703.db2.gz QDKZGUPBTLQRME-UHFFFAOYSA-N 0 0 465.604 4.117 50 0 JIAARN COc1ccc(C(=O)OCC(=O)c2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013031692 556228901 /nfs/dbraw/zinc/22/89/01/556228901.db2.gz ACTFQDUNBKJJMA-UHFFFAOYSA-N 0 0 473.591 4.423 50 0 JIAARN O=S(=O)(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccc(F)c(C(F)(F)F)c1 ZINC000017156874 556229351 /nfs/dbraw/zinc/22/93/51/556229351.db2.gz FANYLSIBMYBWLT-UHFFFAOYSA-N 0 0 488.463 4.276 50 0 JIAARN O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000017170006 556230983 /nfs/dbraw/zinc/23/09/83/556230983.db2.gz ZWXPCHWHDFJJAW-FQEVSTJZSA-N 0 0 481.039 4.039 50 0 JIAARN O=C(c1ccc(N2CCCCS2(=O)=O)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000017178350 556233186 /nfs/dbraw/zinc/23/31/86/556233186.db2.gz ASQCSTZYSORLPZ-UHFFFAOYSA-N 0 0 489.641 4.164 50 0 JIAARN Cc1sc2nc(-c3cccnc3)nc(N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)c2c1C ZINC000013037868 556233338 /nfs/dbraw/zinc/23/33/38/556233338.db2.gz KQMGNIFCFXWJJL-UHFFFAOYSA-N 0 0 493.658 4.498 50 0 JIAARN CCOc1ccc(C(C)=O)cc1CN1CCN(S(=O)(=O)c2ccc([C@H](C)CC)cc2)CC1 ZINC000013038016 556234464 /nfs/dbraw/zinc/23/44/64/556234464.db2.gz KCQOGLBVHDBFMV-LJQANCHMSA-N 0 0 458.624 4.308 50 0 JIAARN COc1ccc(NC(=O)[C@H](OC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c2ccccc2)cc1 ZINC000025785043 556236405 /nfs/dbraw/zinc/23/64/05/556236405.db2.gz RDZBSTYOUYYOQL-WMZHIEFXSA-N 0 0 462.502 4.064 50 0 JIAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000017190399 556236572 /nfs/dbraw/zinc/23/65/72/556236572.db2.gz WXIVUUBZYZRHPD-HSZRJFAPSA-N 0 0 463.965 4.362 50 0 JIAARN COCCNC(=O)CSc1ccccc1C(=O)OCc1csc(Nc2ccc(C)cc2)n1 ZINC000013038711 556237775 /nfs/dbraw/zinc/23/77/75/556237775.db2.gz OZALZVQGCLHMLK-UHFFFAOYSA-N 0 0 471.604 4.407 50 0 JIAARN CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)nc1C ZINC000013038810 556237785 /nfs/dbraw/zinc/23/77/85/556237785.db2.gz HMSLVLXKXSEUMC-UHFFFAOYSA-N 0 0 473.576 4.014 50 0 JIAARN CC(C)(C)c1ccc(OCCC(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000013039271 556239787 /nfs/dbraw/zinc/23/97/87/556239787.db2.gz LZEKQDAVGXKZPX-UHFFFAOYSA-N 0 0 498.567 4.305 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCCOc1ccc(C)cc1 ZINC000013039287 556239852 /nfs/dbraw/zinc/23/98/52/556239852.db2.gz XRLCUUDSXXDTCU-UHFFFAOYSA-N 0 0 460.596 4.366 50 0 JIAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4ccco4)nn3-c3ccccc3)CC2)c(F)c1 ZINC000025994881 556239889 /nfs/dbraw/zinc/23/98/89/556239889.db2.gz QIWQQZGHJFNBBZ-UHFFFAOYSA-N 0 0 458.493 4.436 50 0 JIAARN CCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1OCC ZINC000013039508 556240377 /nfs/dbraw/zinc/24/03/77/556240377.db2.gz DYFUUGQMOKSFFJ-UHFFFAOYSA-N 0 0 454.976 4.467 50 0 JIAARN CC(C)c1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000013040285 556242914 /nfs/dbraw/zinc/24/29/14/556242914.db2.gz KDPDWOVHCFOGEC-QGZVFWFLSA-N 0 0 483.556 4.162 50 0 JIAARN COc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccccc4OC)nn32)cc1OC ZINC000017243674 556244839 /nfs/dbraw/zinc/24/48/39/556244839.db2.gz FNGZLTSGFNNKAU-XMMPIXPASA-N 0 0 498.543 4.294 50 0 JIAARN COc1ccccc1-c1nc2n(n1)[C@H](c1ccccc1F)C(C(=O)Nc1cccnc1)=C(C)N2 ZINC000017243732 556244987 /nfs/dbraw/zinc/24/49/87/556244987.db2.gz AWHNZZVTCFMGAI-JOCHJYFZSA-N 0 0 456.481 4.415 50 0 JIAARN Cc1sc2nc(C)nc(N3CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)c2c1C ZINC000013041392 556246827 /nfs/dbraw/zinc/24/68/27/556246827.db2.gz TVVQZYALFYPYON-UHFFFAOYSA-N 0 0 486.541 4.026 50 0 JIAARN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000013057893 556253255 /nfs/dbraw/zinc/25/32/55/556253255.db2.gz HQWVPBPLTVNQDQ-UHFFFAOYSA-N 0 0 454.392 4.362 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000017306684 556254359 /nfs/dbraw/zinc/25/43/59/556254359.db2.gz FSFQZXUZRDIVPU-UHFFFAOYSA-N 0 0 483.937 4.082 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000013060021 556255918 /nfs/dbraw/zinc/25/59/18/556255918.db2.gz DLSQJIKLKUUPPH-UHFFFAOYSA-N 0 0 479.606 4.017 50 0 JIAARN COc1ccc(C(=O)OCCOc2c(C)cccc2C)cc1S(=O)(=O)N1CCCCCC1 ZINC000013062920 556258309 /nfs/dbraw/zinc/25/83/09/556258309.db2.gz AEDJKTWCHQOORB-UHFFFAOYSA-N 0 0 461.580 4.113 50 0 JIAARN Cc1csc(=O)n1CC(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000017346519 556259043 /nfs/dbraw/zinc/25/90/43/556259043.db2.gz JFVDMYLDDCLELW-INIZCTEOSA-N 0 0 494.436 4.316 50 0 JIAARN CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)/C=C/c1ccc(OC)cc1 ZINC000026688503 556259587 /nfs/dbraw/zinc/25/95/87/556259587.db2.gz BHADMLJVCYETTM-CQLKWFSRSA-N 0 0 485.540 4.490 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000017369811 556260561 /nfs/dbraw/zinc/26/05/61/556260561.db2.gz JRKYRBXOJVXTRB-LJQANCHMSA-N 0 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Cc1ccc(-n2c3ccccc3n(CN3CCN(S(=O)(=O)c4ccccc4)CC3)c2=S)cc1 ZINC000013070359 556267687 /nfs/dbraw/zinc/26/76/87/556267687.db2.gz HVUONHSPPCJBIH-UHFFFAOYSA-N 0 0 478.643 4.434 50 0 JIAARN O=C(Nc1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 ZINC000017824789 556267716 /nfs/dbraw/zinc/26/77/16/556267716.db2.gz JAFDGZSPSJQGBP-HVWQDESWSA-N 0 0 486.531 4.357 50 0 JIAARN CC1CCN([C@@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c2cccs2)CC1 ZINC000013070729 556268387 /nfs/dbraw/zinc/26/83/87/556268387.db2.gz NIJLPIVXRQDANP-NRFANRHFSA-N 0 0 494.638 4.328 50 0 JIAARN COc1ccc(-c2nn(CN3CCN(c4ncccn4)CC3)c(=S)n2C2CCCCC2)cc1 ZINC000013072865 556271888 /nfs/dbraw/zinc/27/18/88/556271888.db2.gz XLPCMAQHTRNUBP-UHFFFAOYSA-N 0 0 465.627 4.165 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C3=Cc4ccccc4O[C@@H]3C)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000027025282 556272140 /nfs/dbraw/zinc/27/21/40/556272140.db2.gz GZAGZECDZOXTDW-JBOLIUMFSA-N 0 0 498.604 4.280 50 0 JIAARN CCCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000017995918 556274979 /nfs/dbraw/zinc/27/49/79/556274979.db2.gz QJBSENVZHKVHLG-IYBDPMFKSA-N 0 0 466.987 4.179 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H](c2ccc(CC(C)C)cc2)C(C)C)cc1 ZINC000013074752 556275861 /nfs/dbraw/zinc/27/58/61/556275861.db2.gz AZXJIUYXFVVALB-VWLOTQADSA-N 0 0 473.639 4.025 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](c2ccc(CC(C)C)cc2)C(C)C)cc1 ZINC000013074754 556275875 /nfs/dbraw/zinc/27/58/75/556275875.db2.gz AZXJIUYXFVVALB-RUZDIDTESA-N 0 0 473.639 4.025 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Br ZINC000018012457 556276567 /nfs/dbraw/zinc/27/65/67/556276567.db2.gz GTIUIGNIEUXNAU-UHFFFAOYSA-N 0 0 461.234 4.067 50 0 JIAARN COc1cc2c(cc1OC)CN(CN1C(=O)N[C@@](c3ccccc3)(c3ccc(C)c(C)c3)C1=O)CC2 ZINC000027491095 556280521 /nfs/dbraw/zinc/28/05/21/556280521.db2.gz BYYINNDNOHMXCA-LJAQVGFWSA-N 0 0 485.584 4.132 50 0 JIAARN O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(I)cc1 ZINC000027500311 556281362 /nfs/dbraw/zinc/28/13/62/556281362.db2.gz BOCAQAMWZZTQKR-ZSOIEALJSA-N 0 0 454.061 4.398 50 0 JIAARN COc1ccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000018066429 556282242 /nfs/dbraw/zinc/28/22/42/556282242.db2.gz QNADAPCJQQAVAI-UHFFFAOYSA-N 0 0 459.531 4.426 50 0 JIAARN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 ZINC000018079360 556284729 /nfs/dbraw/zinc/28/47/29/556284729.db2.gz OTZWAVCFJDTOAQ-CQSZACIVSA-N 0 0 476.927 4.050 50 0 JIAARN COc1cc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC ZINC000027527464 556288101 /nfs/dbraw/zinc/28/81/01/556288101.db2.gz DRLPPMQMKLCLFB-UHFFFAOYSA-N 0 0 459.502 4.090 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc32)CC1 ZINC000018127157 556291845 /nfs/dbraw/zinc/29/18/45/556291845.db2.gz JACGDKZKDVOCHX-UHFFFAOYSA-N 0 0 479.584 4.310 50 0 JIAARN Cc1ccc(Cl)c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1Cl ZINC000018129663 556292277 /nfs/dbraw/zinc/29/22/77/556292277.db2.gz KJSYCMNMTAMHNS-OKILXGFUSA-N 0 0 457.379 4.352 50 0 JIAARN Cc1c2cc(Br)ccc2oc1C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000018133510 556292507 /nfs/dbraw/zinc/29/25/07/556292507.db2.gz QTOOBOAXMDULJB-UHFFFAOYSA-N 0 0 474.330 4.039 50 0 JIAARN COc1ccc(CCN(C(=O)c2ccc(Cl)cc2)[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000018143819 556293681 /nfs/dbraw/zinc/29/36/81/556293681.db2.gz KDINRNFTBFZXBJ-JOCHJYFZSA-N 0 0 492.959 4.374 50 0 JIAARN Cc1c(C(=O)N2CCCCC2)sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c12 ZINC000027534457 556293741 /nfs/dbraw/zinc/29/37/41/556293741.db2.gz QIWDCYPJLSTJGD-UHFFFAOYSA-N 0 0 478.496 4.050 50 0 JIAARN O=C(COc1ccc(N2CCCC2=O)cc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000018157679 556296241 /nfs/dbraw/zinc/29/62/41/556296241.db2.gz YTTWVMMVAXIHTA-UHFFFAOYSA-N 0 0 466.541 4.361 50 0 JIAARN CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)cc1 ZINC000013098068 556296521 /nfs/dbraw/zinc/29/65/21/556296521.db2.gz YEHKMRQOLNYCBC-UHFFFAOYSA-N 0 0 474.579 4.125 50 0 JIAARN Cc1c([C@@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cnn1C ZINC000018176729 556298372 /nfs/dbraw/zinc/29/83/72/556298372.db2.gz DMMDNAXNXQPOHD-NBGIEHNGSA-N 0 0 467.573 4.432 50 0 JIAARN COc1ccc(-c2csc(NC(=O)CN3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)cc1OC ZINC000027573826 556299585 /nfs/dbraw/zinc/29/95/85/556299585.db2.gz QRGUFIRRPWOHAY-SFHVURJKSA-N 0 0 480.590 4.117 50 0 JIAARN O=C(COc1ccc(Br)cc1)N(Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000027662978 556302446 /nfs/dbraw/zinc/30/24/46/556302446.db2.gz CSXFKXNQRGMOMY-HXUWFJFHSA-N 0 0 488.403 4.197 50 0 JIAARN COc1ccc(Cc2nnc(SCC(=O)N3CCC[C@@H]3c3cc(OC)ccc3OC)o2)cc1 ZINC000027716788 556304430 /nfs/dbraw/zinc/30/44/30/556304430.db2.gz ZYDLVSJMULIZEJ-HXUWFJFHSA-N 0 0 469.563 4.142 50 0 JIAARN CN(C)C(=O)c1ccc(NC(=O)CN(C)Cc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000013108096 556304943 /nfs/dbraw/zinc/30/49/43/556304943.db2.gz OHPDNUHEFIOOMD-UHFFFAOYSA-N 0 0 470.367 4.481 50 0 JIAARN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027745819 556305334 /nfs/dbraw/zinc/30/53/34/556305334.db2.gz IIHRWSLGVIVJSH-GOSISDBHSA-N 0 0 456.391 4.151 50 0 JIAARN O=c1c2ccccc2nc(CSc2ncnc3[nH]cnc32)n1-c1cccc(C(F)(F)F)c1 ZINC000013108351 556305583 /nfs/dbraw/zinc/30/55/83/556305583.db2.gz MMKNCVXKTFUWKO-UHFFFAOYSA-N 0 0 454.437 4.363 50 0 JIAARN CNC(=O)NC(=O)[C@H](Sc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000013109199 556307528 /nfs/dbraw/zinc/30/75/28/556307528.db2.gz LJOQEKILNBOZNO-FFZOFVMBSA-N 0 0 464.595 4.380 50 0 JIAARN CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000013109442 556308154 /nfs/dbraw/zinc/30/81/54/556308154.db2.gz NYQGPISRHIHLSN-UHFFFAOYSA-N 0 0 465.291 4.407 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cc2)C[C@H](C)O1 ZINC000013109830 556310032 /nfs/dbraw/zinc/31/00/32/556310032.db2.gz IVMUJWDYQLQXJZ-NSHGMRRFSA-N 0 0 499.658 4.114 50 0 JIAARN C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4sc5c(c4C(=O)NC[C@H]4CCCO4)CCC5)no3)ccc2O1 ZINC000027995219 556312441 /nfs/dbraw/zinc/31/24/41/556312441.db2.gz UXZZBHLJJQYOJG-RHSMWYFYSA-N 0 0 493.585 4.376 50 0 JIAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)N(C)Cc3ccc(Cl)s3)C2=O)cc1C ZINC000013112657 556314465 /nfs/dbraw/zinc/31/44/65/556314465.db2.gz QDUAUHVURCIFIQ-RUZDIDTESA-N 0 0 482.005 4.472 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2cc3c(cc2Sc2ccc(OC)cc2)n(C)c(=O)n3C)cc1 ZINC000028049346 556314629 /nfs/dbraw/zinc/31/46/29/556314629.db2.gz VREZPKCRPPWBCE-UHFFFAOYSA-N 0 0 499.614 4.236 50 0 JIAARN COc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)o2)cc1 ZINC000018253648 556316648 /nfs/dbraw/zinc/31/66/48/556316648.db2.gz SHSCLFGFRUMCCE-KSZLIROESA-N 0 0 499.589 4.330 50 0 JIAARN CCc1ccc(-c2nc(SCC(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)n[nH]2)cc1 ZINC000013113159 556316788 /nfs/dbraw/zinc/31/67/88/556316788.db2.gz MLUWIUGUKYTATK-GFCCVEGCSA-N 0 0 455.609 4.050 50 0 JIAARN COc1ccc(NC(=O)c2nnc(CSCc3nc4sc(C)c(C)c4c(=O)[nH]3)s2)cc1 ZINC000028187025 556317016 /nfs/dbraw/zinc/31/70/16/556317016.db2.gz HRFNAKQLLROTPO-UHFFFAOYSA-N 0 0 473.605 4.147 50 0 JIAARN O=C(CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1)c1ccc(O)cc1O ZINC000018320302 556319339 /nfs/dbraw/zinc/31/93/39/556319339.db2.gz AVOKPOKWQNOGCV-QFIPXVFZSA-N 0 0 461.499 4.166 50 0 JIAARN CNC(=O)[C@@H]1CN(C(=O)CCc2c3ccccc3[nH]c2-c2ccc(OC)cc2)c2ccccc2O1 ZINC000013114588 556319746 /nfs/dbraw/zinc/31/97/46/556319746.db2.gz PGLNPFLTRNNCGC-VWLOTQADSA-N 0 0 469.541 4.316 50 0 JIAARN CCc1ccc(-c2csc(NC(=O)CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)n2)cc1 ZINC000013114838 556321132 /nfs/dbraw/zinc/32/11/32/556321132.db2.gz PGIKLFLDKSZYEI-VWLOTQADSA-N 0 0 460.559 4.095 50 0 JIAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H](c3ccco3)N3CCCC3)c2)C1 ZINC000013115961 556323401 /nfs/dbraw/zinc/32/34/01/556323401.db2.gz UYCKRJNXEHALTB-JBYIUTFZSA-N 0 0 494.057 4.167 50 0 JIAARN Cc1c(C(=O)N2CCOCC2)c(NC(=O)COc2ccccc2F)sc1-c1ccccc1 ZINC000013116929 556324590 /nfs/dbraw/zinc/32/45/90/556324590.db2.gz PQIZCQWPLJGXFM-UHFFFAOYSA-N 0 0 454.523 4.353 50 0 JIAARN COc1ccc(-c2nc(CC(=O)N3C[C@@H](C(=O)N4CCCCC4)Oc4ccccc43)cs2)cc1 ZINC000013116881 556324673 /nfs/dbraw/zinc/32/46/73/556324673.db2.gz QBBVMWDHXSGMMW-QHCPKHFHSA-N 0 0 477.586 4.168 50 0 JIAARN CCCN(CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1)Cc1nnc(-c2ccco2)o1 ZINC000018906450 556324837 /nfs/dbraw/zinc/32/48/37/556324837.db2.gz XALKNLIDAGBJBN-UHFFFAOYSA-N 0 0 487.560 4.419 50 0 JIAARN CCCOc1ccc(CN(C(=O)Cc2cccc3ccccc32)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000028228311 556325945 /nfs/dbraw/zinc/32/59/45/556325945.db2.gz WGWJSQCVIUCCSG-QHCPKHFHSA-N 0 0 451.588 4.387 50 0 JIAARN CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000028228610 556325979 /nfs/dbraw/zinc/32/59/79/556325979.db2.gz FGBGQSFPKSTLTN-NFBKMPQASA-N 0 0 455.551 4.352 50 0 JIAARN Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2c(F)cccc2Cl)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000028231650 556326371 /nfs/dbraw/zinc/32/63/71/556326371.db2.gz QQYDPTMTPHLKJZ-DLBZAZTESA-N 0 0 453.963 4.079 50 0 JIAARN COc1ccc(-c2nnc([C@@H](C)OC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)o2)cc1 ZINC000018976871 556326576 /nfs/dbraw/zinc/32/65/76/556326576.db2.gz JWAQDUTYRZVBMM-OAHLLOKOSA-N 0 0 453.470 4.041 50 0 JIAARN O=S(=O)(NCCc1c[nH]c2ccccc12)c1cc(Br)ccc1Br ZINC000028249390 556326806 /nfs/dbraw/zinc/32/68/06/556326806.db2.gz XRMAOTFEJPBSAD-UHFFFAOYSA-N 0 0 458.175 4.214 50 0 JIAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1nnc(NC2CC2)s1)c1ccccc1 ZINC000013117428 556327163 /nfs/dbraw/zinc/32/71/63/556327163.db2.gz KBJINQJUPQWYGP-CQSZACIVSA-N 0 0 453.593 4.334 50 0 JIAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1CCN(c2cccc(OC)c2)CC1 ZINC000013117898 556329854 /nfs/dbraw/zinc/32/98/54/556329854.db2.gz YKSALVLAOMFGRH-UHFFFAOYSA-N 0 0 479.602 4.361 50 0 JIAARN CC(C)Cn1c(SCC(=O)Nc2ccccc2C(=O)NC2CC2)nnc1-c1ccccc1F ZINC000013119883 556332115 /nfs/dbraw/zinc/33/21/15/556332115.db2.gz RFDWUXFHCDVEAM-UHFFFAOYSA-N 0 0 467.570 4.363 50 0 JIAARN CCOc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)N4CCCN4[C@]3(c3ccccc3)C2=O)cc1 ZINC000019171237 556332829 /nfs/dbraw/zinc/33/28/29/556332829.db2.gz ZGUXVWXGNUPKJY-QQNWGBJXSA-N 0 0 453.542 4.148 50 0 JIAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CN3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000013120675 556333525 /nfs/dbraw/zinc/33/35/25/556333525.db2.gz JLKJZVXUICLRNM-AREMUKBSSA-N 0 0 478.618 4.385 50 0 JIAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1n[nH]c(-c2ccccc2Br)n1 ZINC000013120685 556333800 /nfs/dbraw/zinc/33/38/00/556333800.db2.gz ZGWTYZCMHYCGGH-GFCCVEGCSA-N 0 0 472.368 4.090 50 0 JIAARN COc1ccc2cc(CN(C)C(=O)CSc3nnc(Cc4csc(C)n4)o3)ccc2c1 ZINC000013120748 556334060 /nfs/dbraw/zinc/33/40/60/556334060.db2.gz LGQWLUZTDOUEOS-UHFFFAOYSA-N 0 0 454.577 4.338 50 0 JIAARN O=C(c1cccc(COc2cccc(Br)c2)c1)N1CCN(Cc2ccccn2)CC1 ZINC000028631885 556338313 /nfs/dbraw/zinc/33/83/13/556338313.db2.gz VUYWXDLTZUALDL-UHFFFAOYSA-N 0 0 466.379 4.381 50 0 JIAARN Cc1c(CNC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)cnn1C ZINC000013124033 556340041 /nfs/dbraw/zinc/34/00/41/556340041.db2.gz SWDKUWSIIFLYAM-GJZGRUSLSA-N 0 0 452.868 4.169 50 0 JIAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCOCC1)c1csc(-c2ccc(F)cc2)n1 ZINC000028802917 556341531 /nfs/dbraw/zinc/34/15/31/556341531.db2.gz GAORMAOHAYFJDV-UHFFFAOYSA-N 0 0 451.479 4.420 50 0 JIAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nn1cnc2ccccc21)c1ccccc1Cl ZINC000028819344 556342093 /nfs/dbraw/zinc/34/20/93/556342093.db2.gz MGXTXBWXPDIZFB-QFIPXVFZSA-N 0 0 457.921 4.282 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000019356771 556344717 /nfs/dbraw/zinc/34/47/17/556344717.db2.gz JOJYSCQAMZGRBZ-QHCPKHFHSA-N 0 0 482.533 4.112 50 0 JIAARN Cc1c(NC(=O)[C@@H](C)Sc2nnc(Cc3cccs3)n2C2CC2)c(=O)n(-c2ccccc2)n1C ZINC000013127989 556345556 /nfs/dbraw/zinc/34/55/56/556345556.db2.gz GUIFEBPHQNFMNE-MRXNPFEDSA-N 0 0 494.646 4.182 50 0 JIAARN CC[C@H](C)N(C(=O)COc1ccc2c(c1)oc(C)c(Oc1ccccc1)c2=O)[C@H]1CCS(=O)(=O)C1 ZINC000013128049 556345844 /nfs/dbraw/zinc/34/58/44/556345844.db2.gz LZZZPGLHGDSMHW-HKUYNNGSSA-N 0 0 499.585 4.087 50 0 JIAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN3CCN(C(=O)c4ccco4)CC3)nc21 ZINC000013128715 556348610 /nfs/dbraw/zinc/34/86/10/556348610.db2.gz XERIJRHEUMRSEU-UHFFFAOYSA-N 0 0 474.586 4.189 50 0 JIAARN CCCNC(=O)CN1CCC(NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029218051 556348939 /nfs/dbraw/zinc/34/89/39/556348939.db2.gz VHFZKFQAPGWDEA-VWLOTQADSA-N 0 0 474.070 4.269 50 0 JIAARN COC(=O)c1ccccc1-n1ncc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1=O ZINC000029250093 556349344 /nfs/dbraw/zinc/34/93/44/556349344.db2.gz GDIUHAJBONSVCB-UHFFFAOYSA-N 0 0 492.885 4.018 50 0 JIAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccc(N2CCOCC2)nc1 ZINC000029435528 556351906 /nfs/dbraw/zinc/35/19/06/556351906.db2.gz MWGZUPCWRYARMD-UHFFFAOYSA-N 0 0 467.591 4.230 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CN1CCC[C@H](C(F)(F)F)C1)CC2 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COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OC(F)F)cc2)cc1OC ZINC000062595115 569612750 /nfs/dbraw/zinc/61/27/50/569612750.db2.gz WDJVCQDULXWWRY-UHFFFAOYSA-N 0 0 478.473 4.358 50 0 JIAARN O=C(C1CCN(Cc2coc(-c3ccccc3)n2)CC1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000062606412 569612896 /nfs/dbraw/zinc/61/28/96/569612896.db2.gz JMHXQZHUHAYZEZ-UHFFFAOYSA-N 0 0 499.537 4.316 50 0 JIAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)n2)cc1 ZINC000032998999 569613298 /nfs/dbraw/zinc/61/32/98/569613298.db2.gz MNXPEGRBBWJEHJ-UHFFFAOYSA-N 0 0 471.538 4.351 50 0 JIAARN CC(=O)c1cccc(NC(=O)C2CCN(c3nc4cccnc4n(Cc4ccc(C)cc4)c3=O)CC2)c1 ZINC000033006211 569614755 /nfs/dbraw/zinc/61/47/55/569614755.db2.gz YVLGUPJQTXCQTG-UHFFFAOYSA-N 0 0 495.583 4.206 50 0 JIAARN COc1ccc(N(Cc2cccs2)C(=O)CN2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1 ZINC000062734797 569614910 /nfs/dbraw/zinc/61/49/10/569614910.db2.gz FWAFFOGDSKEVKN-UHFFFAOYSA-N 0 0 481.593 4.454 50 0 JIAARN CCOC(=O)C[C@@H](NC(=O)Nc1cc2sc(NC(C)=O)nc2c(OC)c1)c1ccccc1 ZINC000033008558 569616008 /nfs/dbraw/zinc/61/60/08/569616008.db2.gz WGHMZPSBDBURKZ-MRXNPFEDSA-N 0 0 456.524 4.079 50 0 JIAARN CSc1ccc(CNC(=O)C2CCN(c3ccc4nnc(-c5cccc(C)c5)n4n3)CC2)cc1 ZINC000033010162 569616621 /nfs/dbraw/zinc/61/66/21/569616621.db2.gz XJBWAAZCIBPVJN-UHFFFAOYSA-N 0 0 472.618 4.354 50 0 JIAARN Cc1c(-c2nc(-c3ccc(C)cc3)no2)sc2ncn(CC(=O)NCc3ccccc3)c(=O)c12 ZINC000064439141 569616729 /nfs/dbraw/zinc/61/67/29/569616729.db2.gz KTHNBNHOCOFEMC-UHFFFAOYSA-N 0 0 471.542 4.108 50 0 JIAARN CCOC(=O)CC1(NC(=O)N2CCCN(c3nc4ccccc4n4cccc34)CC2)CCCCC1 ZINC000064450086 569616892 /nfs/dbraw/zinc/61/68/92/569616892.db2.gz DVWUPSAFVFVHDP-UHFFFAOYSA-N 0 0 477.609 4.365 50 0 JIAARN Cc1c(-c2nc(-c3cccc(Cl)c3)no2)sc2ncn(CC(=O)NCc3ccccc3)c(=O)c12 ZINC000064439295 569616930 /nfs/dbraw/zinc/61/69/30/569616930.db2.gz VJJVAKZJKHGJQO-UHFFFAOYSA-N 0 0 491.960 4.453 50 0 JIAARN COc1ccccc1CNC(=O)COc1ccc(-c2noc(-c3ccccc3C)n2)cc1OC ZINC000033013135 569617497 /nfs/dbraw/zinc/61/74/97/569617497.db2.gz SBARZAGSDFQPAG-UHFFFAOYSA-N 0 0 459.502 4.424 50 0 JIAARN COc1cccc(Sc2nc3ccccc3n3c(=O)n(CC(=O)Nc4cccc(C(C)=O)c4)nc23)c1 ZINC000033022316 569619322 /nfs/dbraw/zinc/61/93/22/569619322.db2.gz PFSSBUYMOGEMQO-UHFFFAOYSA-N 0 0 499.552 4.045 50 0 JIAARN CC[C@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C)cc4Cl)CC3)ccc21 ZINC000033023168 569619401 /nfs/dbraw/zinc/61/94/01/569619401.db2.gz IWCCYEFFBCCBPX-INIZCTEOSA-N 0 0 490.029 4.404 50 0 JIAARN Cc1ccc(NC(=O)N2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)cc1Cl ZINC000064567447 569619727 /nfs/dbraw/zinc/61/97/27/569619727.db2.gz YLBUAUIRXDWUAS-UHFFFAOYSA-N 0 0 488.979 4.156 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc2n1c1ccsc1c(=O)n2Cc1ccco1 ZINC000064590665 569621664 /nfs/dbraw/zinc/62/16/64/569621664.db2.gz ZTGVQUMRJQBBHC-UHFFFAOYSA-N 0 0 485.978 4.440 50 0 JIAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccc(C)c(C)c3)cn(CC(=O)Nc3ccc(C)c(F)c3)c2n1 ZINC000064591277 569621886 /nfs/dbraw/zinc/62/18/86/569621886.db2.gz PTFSGULCAYLWAM-UHFFFAOYSA-N 0 0 493.560 4.241 50 0 JIAARN CCc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3C)c(=O)c3ccc(C)nc32)cc1 ZINC000064591254 569621890 /nfs/dbraw/zinc/62/18/90/569621890.db2.gz KMKYRQASFGPHBN-UHFFFAOYSA-N 0 0 489.597 4.356 50 0 JIAARN CC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2ccc(Br)c(C)c2C)c1=O ZINC000064604912 569622444 /nfs/dbraw/zinc/62/24/44/569622444.db2.gz IJIPCCVMJUMXQT-UHFFFAOYSA-N 0 0 483.366 4.195 50 0 JIAARN COc1ccc([C@@H](C)NC(=O)CCc2nnc3ccc(-c4ccc(C)c(C)c4)nn32)cc1OC ZINC000033309590 569622539 /nfs/dbraw/zinc/62/25/39/569622539.db2.gz IOUBTRHWRYFNOH-GOSISDBHSA-N 0 0 459.550 4.235 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)N(Cc2noc(C4CCC4)n2)C(=O)CO3)cc1Cl ZINC000064605691 569622648 /nfs/dbraw/zinc/62/26/48/569622648.db2.gz WJKVBPPDSRWKSO-UHFFFAOYSA-N 0 0 488.953 4.025 50 0 JIAARN O=C(CSc1nccc(N2CCN(c3ccccc3)CC2)n1)Nc1ccc(Cl)cc1F ZINC000033309878 569622707 /nfs/dbraw/zinc/62/27/07/569622707.db2.gz GSHYQBCWAAGHOI-UHFFFAOYSA-N 0 0 457.962 4.327 50 0 JIAARN COc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)cc(NC(=O)C(C)C)c2=O)cc1Cl ZINC000064605322 569622736 /nfs/dbraw/zinc/62/27/36/569622736.db2.gz AJIRXBQKCZPSDE-UHFFFAOYSA-N 0 0 468.941 4.114 50 0 JIAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3ccc(Cl)cc3C)n2)cc1 ZINC000064605320 569622747 /nfs/dbraw/zinc/62/27/47/569622747.db2.gz IKJIUWJKZNYWLF-UHFFFAOYSA-N 0 0 452.942 4.414 50 0 JIAARN COc1ccccc1N1CCN(S(=O)(=O)c2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)CC1 ZINC000064610886 569622953 /nfs/dbraw/zinc/62/29/53/569622953.db2.gz HJKUYXUGBJMZEC-UHFFFAOYSA-N 0 0 490.585 4.232 50 0 JIAARN Cn1c(CCNC(=O)c2cccs2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000033320961 569623408 /nfs/dbraw/zinc/62/34/08/569623408.db2.gz MROLBOMQMUAAPF-UHFFFAOYSA-N 0 0 468.966 4.278 50 0 JIAARN Cc1ccccc1NC(=O)Cn1c2nc(-c3ccccc3)nn2c(=O)c(Cc2ccccc2)c1C ZINC000033324736 569623592 /nfs/dbraw/zinc/62/35/92/569623592.db2.gz SBVAPVIZJRTVDC-UHFFFAOYSA-N 0 0 463.541 4.404 50 0 JIAARN Cc1ccc(NC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)cc1Br ZINC000033325454 569623653 /nfs/dbraw/zinc/62/36/53/569623653.db2.gz GXPNJCPCBHLNRN-AWEZNQCLSA-N 0 0 480.409 4.294 50 0 JIAARN COC(=O)c1cc(C)sc1NC(=O)CSc1nnc2c3ccccc3nc(-c3ccco3)n12 ZINC000033328939 569624072 /nfs/dbraw/zinc/62/40/72/569624072.db2.gz ZEWTYOACSMNKAT-UHFFFAOYSA-N 0 0 479.543 4.425 50 0 JIAARN O=C(CSc1nnc2c3ccccc3nc(-c3ccco3)n12)N1CCN(c2ccccc2F)CC1 ZINC000033328945 569624147 /nfs/dbraw/zinc/62/41/47/569624147.db2.gz BELADIQNRLGQAH-UHFFFAOYSA-N 0 0 488.548 4.118 50 0 JIAARN COc1ccccc1CN1CCc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c(=O)c2C1 ZINC000033331782 569624439 /nfs/dbraw/zinc/62/44/39/569624439.db2.gz RAYJHFNEMYSSAC-UHFFFAOYSA-N 0 0 485.009 4.442 50 0 JIAARN Cc1cccc(N2CCN(C(=O)CCCn3c(=O)c4cccn4c4ccc(F)cc43)C[C@@H]2C)c1 ZINC000033332005 569624610 /nfs/dbraw/zinc/62/46/10/569624610.db2.gz FILUTDSFHZLGIK-FQEVSTJZSA-N 0 0 460.553 4.219 50 0 JIAARN CC1CCN(c2ccc(-c3noc(C(=O)N4CCN(C(=O)c5cccc(Cl)c5)CC4)n3)cc2)CC1 ZINC000064746647 569625617 /nfs/dbraw/zinc/62/56/17/569625617.db2.gz RZXMCJRBZJKCAI-UHFFFAOYSA-N 0 0 493.995 4.225 50 0 JIAARN COc1cc(OC)c(NC(=O)Cn2c(C)nc3c(sc4nc(C)cc(C)c43)c2=O)cc1Cl ZINC000064746879 569625839 /nfs/dbraw/zinc/62/58/39/569625839.db2.gz JMESVTXUCRCBBJ-UHFFFAOYSA-N 0 0 472.954 4.241 50 0 JIAARN Cc1ccc2c(c1)N(C(=O)Cn1cnc3c4ccc(-c5ccccc5)nc4sc3c1=O)CCO2 ZINC000064746971 569626050 /nfs/dbraw/zinc/62/60/50/569626050.db2.gz YVZQGLNKGSGPJJ-UHFFFAOYSA-N 0 0 468.538 4.407 50 0 JIAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4ccccc4SC)c(=O)n23)c1 ZINC000064788082 569628168 /nfs/dbraw/zinc/62/81/68/569628168.db2.gz XZBXMACTKMLEQG-UHFFFAOYSA-N 0 0 453.545 4.414 50 0 JIAARN CCc1ccc([C@H]2OCC(C)(C)n3c(-c4ccc(C)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000064788108 569628176 /nfs/dbraw/zinc/62/81/76/569628176.db2.gz ILNYFTUGZHWJJY-RUZDIDTESA-N 0 0 457.574 4.431 50 0 JIAARN CCc1ccc([C@@H]2OCC(C)(C)n3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000064788272 569628401 /nfs/dbraw/zinc/62/84/01/569628401.db2.gz FOJPEAOKBQUYTC-VWLOTQADSA-N 0 0 457.574 4.431 50 0 JIAARN Cc1cccc(C(=O)N2CCN(c3oc(-c4ccccc4)nc3S(=O)(=O)c3ccccc3)CC2)c1 ZINC000064789615 569628417 /nfs/dbraw/zinc/62/84/17/569628417.db2.gz JHJAEXLMUGNWIA-UHFFFAOYSA-N 0 0 487.581 4.445 50 0 JIAARN CC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2n(CC(=O)Nc2ccccc2Cl)c1=O ZINC000064791398 569628914 /nfs/dbraw/zinc/62/89/14/569628914.db2.gz PJSCMECXVBQHRJ-UHFFFAOYSA-N 0 0 478.911 4.381 50 0 JIAARN COc1cccc(CNC(=O)c2cccc(Nc3cc(C)nc4nc(-c5cccnc5)nn43)c2)c1 ZINC000064791633 569629023 /nfs/dbraw/zinc/62/90/23/569629023.db2.gz KUGWBYIQEAVNCC-UHFFFAOYSA-N 0 0 465.517 4.177 50 0 JIAARN COc1cccc(CNC(=O)c2ccc(Nc3cc(C)nc4nc(-c5cccnc5)nn43)cc2)c1 ZINC000064791524 569629079 /nfs/dbraw/zinc/62/90/79/569629079.db2.gz OPQVOZRIMRTXFK-UHFFFAOYSA-N 0 0 465.517 4.177 50 0 JIAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)Nc2cc(Cl)ccc2OC)c1C ZINC000064792236 569629213 /nfs/dbraw/zinc/62/92/13/569629213.db2.gz MIQCBWJFLVEPIS-UHFFFAOYSA-N 0 0 465.941 4.120 50 0 JIAARN COc1cccc(NC(=O)CN2c3nnnn3[C@H](c3ccccc3)C=C2c2ccc(Cl)cc2)c1 ZINC000064792903 569629356 /nfs/dbraw/zinc/62/93/56/569629356.db2.gz WOZWEJDGZFDMMP-QHCPKHFHSA-N 0 0 472.936 4.424 50 0 JIAARN Cc1ccc(C2=C[C@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)N2CCc3ccccc3C2)cc1 ZINC000064793296 569629489 /nfs/dbraw/zinc/62/94/89/569629489.db2.gz WWULTLLPYBFVOL-HHHXNRCGSA-N 0 0 476.584 4.325 50 0 JIAARN Cc1csc(NC(=O)CN2c3nnnn3[C@H](c3ccc(C)cc3)C=C2c2ccc(C)cc2)n1 ZINC000064793454 569629613 /nfs/dbraw/zinc/62/96/13/569629613.db2.gz VMDBSTSGERUTFB-NRFANRHFSA-N 0 0 457.563 4.144 50 0 JIAARN COc1cc(OC)c([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4cccc(C)c4)csc32)cc1OC ZINC000064799370 569631109 /nfs/dbraw/zinc/63/11/09/569631109.db2.gz KJWJZRXRTKIIOB-INIZCTEOSA-N 0 0 473.572 4.389 50 0 JIAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(C)nc(Nc3ccc(C)cc3)n2)CC1 ZINC000064800009 569631245 /nfs/dbraw/zinc/63/12/45/569631245.db2.gz YEPREMWSQUNPML-UHFFFAOYSA-N 0 0 451.958 4.461 50 0 JIAARN Cc1ccc(Nc2nc(C)cc(N3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)n2)cc1 ZINC000064800673 569631424 /nfs/dbraw/zinc/63/14/24/569631424.db2.gz ZDKUBDRREQATRC-UHFFFAOYSA-N 0 0 491.539 4.367 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)cc1 ZINC000064801871 569631631 /nfs/dbraw/zinc/63/16/31/569631631.db2.gz WSFPXKSRZAYTKH-UHFFFAOYSA-N 0 0 453.568 4.328 50 0 JIAARN Cc1c(CC(=O)Nc2ccc(F)cc2)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1 ZINC000064813658 569632016 /nfs/dbraw/zinc/63/20/16/569632016.db2.gz AGPBWHPREWFPKP-UHFFFAOYSA-N 0 0 467.504 4.235 50 0 JIAARN COc1ccccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064815394 569632576 /nfs/dbraw/zinc/63/25/76/569632576.db2.gz IJCKZBWEDOAMRA-AREMUKBSSA-N 0 0 490.560 4.495 50 0 JIAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1cccc(F)c1 ZINC000064815670 569632747 /nfs/dbraw/zinc/63/27/47/569632747.db2.gz NZYIOKFEUMABGX-SANMLTNESA-N 0 0 474.561 4.482 50 0 JIAARN C[C@]1(C(=O)NC2CCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccccc1F ZINC000064815810 569632819 /nfs/dbraw/zinc/63/28/19/569632819.db2.gz KFPQGKZKPBDEPP-XMMPIXPASA-N 0 0 452.555 4.224 50 0 JIAARN C[C@]1(C(=O)NC2CCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1cccc(F)c1 ZINC000064815824 569632852 /nfs/dbraw/zinc/63/28/52/569632852.db2.gz HVNYQVCKVYTKQL-XMMPIXPASA-N 0 0 452.555 4.224 50 0 JIAARN CCc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000064815990 569632922 /nfs/dbraw/zinc/63/29/22/569632922.db2.gz ZXYCVIYBWWOIOF-NDEPHWFRSA-N 0 0 484.556 4.450 50 0 JIAARN O=C(NCCSC12CC3CC(CC(C3)C1)C2)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000064816721 569633680 /nfs/dbraw/zinc/63/36/80/569633680.db2.gz UTAKINGLEJQFLN-UHFFFAOYSA-N 0 0 464.635 4.252 50 0 JIAARN CCOCCCNC(=O)c1ccc(CN2c3cc(-c4ccc(Cl)cc4)nn3CCC2=O)cc1 ZINC000064816832 569633886 /nfs/dbraw/zinc/63/38/86/569633886.db2.gz VRFRVOMQTBSQLT-UHFFFAOYSA-N 0 0 466.969 4.297 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)NCc3ccccc3Cl)n(Cc3ccc(C)cc3)c(=O)c21 ZINC000064817117 569634117 /nfs/dbraw/zinc/63/41/17/569634117.db2.gz HNBSTJUWBSYQCL-UHFFFAOYSA-N 0 0 496.036 4.340 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)Nc3ccc(F)cc3)n(Cc3ccc(C)cc3)c(=O)c21 ZINC000064817131 569634228 /nfs/dbraw/zinc/63/42/28/569634228.db2.gz LFQWGHXSYCGYOP-UHFFFAOYSA-N 0 0 465.554 4.148 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)Nc3ccc(Cl)cc3)n(Cc3ccc(OC)cc3)c(=O)c21 ZINC000064817234 569634336 /nfs/dbraw/zinc/63/43/36/569634336.db2.gz OUZAUIDXMAOZIQ-UHFFFAOYSA-N 0 0 498.008 4.362 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)Nc3cccc(C)c3)n(Cc3ccc(F)cc3)c(=O)c21 ZINC000064817377 569634572 /nfs/dbraw/zinc/63/45/72/569634572.db2.gz KFLHYOKRNCBDGG-UHFFFAOYSA-N 0 0 465.554 4.148 50 0 JIAARN Cc1ccc(CNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n(-c2ccc(C)c(C)c2)c3=O)cc1 ZINC000064819255 569635582 /nfs/dbraw/zinc/63/55/82/569635582.db2.gz HWQGYPOWVAHMKJ-UHFFFAOYSA-N 0 0 482.584 4.078 50 0 JIAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3cccc(Cl)c3)c2=O)cc1C ZINC000064838673 569637155 /nfs/dbraw/zinc/63/71/55/569637155.db2.gz TZHWUTMTMOEDJC-UHFFFAOYSA-N 0 0 458.967 4.207 50 0 JIAARN Cc1onc2c1c(-c1ccc(Cl)cc1)nn(CC(=O)NCCc1ccc(Cl)cc1)c2=O ZINC000064842066 569637525 /nfs/dbraw/zinc/63/75/25/569637525.db2.gz FFAKAQMYGVLAPL-UHFFFAOYSA-N 0 0 457.317 4.026 50 0 JIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NCc1ccc(Cl)cc1 ZINC000064866748 569639698 /nfs/dbraw/zinc/63/96/98/569639698.db2.gz IEJATQFTDYSQFY-UHFFFAOYSA-N 0 0 462.955 4.101 50 0 JIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000064866601 569639740 /nfs/dbraw/zinc/63/97/40/569639740.db2.gz QZTKTJGSZPMDGJ-HXUWFJFHSA-N 0 0 454.548 4.016 50 0 JIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1ccc(F)cc1F ZINC000064866766 569639752 /nfs/dbraw/zinc/63/97/52/569639752.db2.gz CGXBBPQWLQJTDW-UHFFFAOYSA-N 0 0 450.463 4.048 50 0 JIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NC[C@H](C)c1ccccc1 ZINC000064866934 569639852 /nfs/dbraw/zinc/63/98/52/569639852.db2.gz WKMWKNIPGOLKEC-INIZCTEOSA-N 0 0 456.564 4.051 50 0 JIAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cc(Cl)ccc2OC)CC3)cc1OC ZINC000064868388 569640037 /nfs/dbraw/zinc/64/00/37/569640037.db2.gz 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COc1ccccc1CCNC(=O)c1coc(CN2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000034678336 569642274 /nfs/dbraw/zinc/64/22/74/569642274.db2.gz JWLUNMFLKGXITC-UHFFFAOYSA-N 0 0 490.648 4.271 50 0 JIAARN O=C(Nc1ccc(F)cc1)c1coc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000034678030 569642315 /nfs/dbraw/zinc/64/23/15/569642315.db2.gz QVMOLKWKNNDEQY-UHFFFAOYSA-N 0 0 462.447 4.403 50 0 JIAARN O=C(Nc1cccc(F)c1)c1coc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)n1 ZINC000034678072 569642368 /nfs/dbraw/zinc/64/23/68/569642368.db2.gz CUNWMOVKYDELSO-UHFFFAOYSA-N 0 0 462.447 4.403 50 0 JIAARN Cc1cccc(NC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3nc2C(F)(F)F)c1 ZINC000064888948 569642466 /nfs/dbraw/zinc/64/24/66/569642466.db2.gz UWHKYCJWMBBSTF-UHFFFAOYSA-N 0 0 480.512 4.177 50 0 JIAARN O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCCN(C(=O)OCc3ccccc3)CC2)nc1 ZINC000034680646 569642962 /nfs/dbraw/zinc/64/29/62/569642962.db2.gz BWYOTCFFNQSUPT-UHFFFAOYSA-N 0 0 462.525 4.251 50 0 JIAARN COc1ccc(CN2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000064892572 569644231 /nfs/dbraw/zinc/64/42/31/569644231.db2.gz FJWHPQCSAGRQIG-MHZLTWQESA-N 0 0 489.597 4.451 50 0 JIAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)N[C@H](C)CCc1ccccc1 ZINC000064924830 569646402 /nfs/dbraw/zinc/64/64/02/569646402.db2.gz IQKVJPRINUCRRZ-HXUWFJFHSA-N 0 0 460.626 4.340 50 0 JIAARN O=c1c2c(ncn2Cc2ccccc2F)n(-c2ccc(Cl)cc2)c(=O)n1CCc1ccccc1 ZINC000034693142 569646725 /nfs/dbraw/zinc/64/67/25/569646725.db2.gz LCIFNUAAFYFFHF-UHFFFAOYSA-N 0 0 474.923 4.432 50 0 JIAARN COc1ccc(Cn2c(=O)c3c(ncn3Cc3cccc(Cl)c3)n(-c3ccc(F)cc3)c2=O)cc1 ZINC000034693124 569646748 /nfs/dbraw/zinc/64/67/48/569646748.db2.gz ZHVKNLBADSHYNB-UHFFFAOYSA-N 0 0 490.922 4.247 50 0 JIAARN CC(C)(C)c1ccc(Cn2cnc3c2c(=O)n(C[C@H]2CCCO2)c(=O)n3-c2ccc(F)cc2F)cc1 ZINC000034693218 569646845 /nfs/dbraw/zinc/64/68/45/569646845.db2.gz JLUAVOHXYMAIRY-HXUWFJFHSA-N 0 0 494.542 4.152 50 0 JIAARN CCOc1ccccc1NC(=O)C1CCN(c2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)CC1 ZINC000064927857 569647159 /nfs/dbraw/zinc/64/71/59/569647159.db2.gz FKYCNFMSOCCZBP-UHFFFAOYSA-N 0 0 466.969 4.448 50 0 JIAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCc2cccs2)cc1 ZINC000064928204 569647410 /nfs/dbraw/zinc/64/74/10/569647410.db2.gz YSTGTTWWFXSMIV-HSZRJFAPSA-N 0 0 497.642 4.091 50 0 JIAARN Cc1ccc(C(=O)Cn2cnc3c2c(=O)n(C2CCCC2)c(=O)n3-c2ccccc2C)c(C)c1 ZINC000034695068 569647461 /nfs/dbraw/zinc/64/74/61/569647461.db2.gz ASNSTQKVCFKUHN-UHFFFAOYSA-N 0 0 456.546 4.272 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4ccc(C)c(Cl)c4)n3)C2)cc1 ZINC000064928646 569647603 /nfs/dbraw/zinc/64/76/03/569647603.db2.gz WCPHEVYXRUFOSH-QGZVFWFLSA-N 0 0 452.942 4.058 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4ccc(C)c(Cl)c4)n3)C2)c1 ZINC000064928664 569647608 /nfs/dbraw/zinc/64/76/08/569647608.db2.gz SZUWJAQBKCYAJT-IBGZPJMESA-N 0 0 494.979 4.226 50 0 JIAARN CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C(C)C)CC2)cc1 ZINC000065022219 569648729 /nfs/dbraw/zinc/64/87/29/569648729.db2.gz JSCPBXIBMOXSHK-UHFFFAOYSA-N 0 0 487.647 4.246 50 0 JIAARN Cc1cccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)Cc5ccccc5)CC4)n23)c1 ZINC000034707013 569649763 /nfs/dbraw/zinc/64/97/63/569649763.db2.gz RECWGYPTCOVRCA-UHFFFAOYSA-N 0 0 462.557 4.144 50 0 JIAARN COc1ccc(C(=O)N2CCN(c3nc4ccccc4c4nnc(-c5ccccc5F)n43)C[C@H]2C)cc1 ZINC000034707124 569649767 /nfs/dbraw/zinc/64/97/67/569649767.db2.gz GJSWWWYQZWJRDU-GOSISDBHSA-N 0 0 496.546 4.443 50 0 JIAARN Cc1cccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)c5c(F)cccc5F)CC4)n23)c1 ZINC000034707020 569649777 /nfs/dbraw/zinc/64/97/77/569649777.db2.gz OJUXHCSNQKHKKD-UHFFFAOYSA-N 0 0 484.510 4.494 50 0 JIAARN Cc1ccc(-c2cnc(N3CCC[C@H](C(=O)N4CCN(Cc5ccccc5)CC4)C3)nc2)cc1 ZINC000065023315 569649843 /nfs/dbraw/zinc/64/98/43/569649843.db2.gz XJIQMBDQJPXFPE-VWLOTQADSA-N 0 0 455.606 4.013 50 0 JIAARN Cc1cccc([C@H]2c3cc(OCC(=O)NC[C@H]4CCCO4)ccc3CCN2C(=O)c2ccccc2)c1 ZINC000034708179 569650215 /nfs/dbraw/zinc/65/02/15/569650215.db2.gz LIBXSBRSGUEECM-UHSQPCAPSA-N 0 0 484.596 4.457 50 0 JIAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)NC[C@@H]1CCCO1 ZINC000034708422 569650482 /nfs/dbraw/zinc/65/04/82/569650482.db2.gz CCDDTBOTZYXRDJ-URORMMCBSA-N 0 0 476.617 4.332 50 0 JIAARN CCOc1ccccc1N1CCN(c2ccc(SCC(=O)Nc3ccccc3C)nn2)CC1 ZINC000065026162 569651202 /nfs/dbraw/zinc/65/12/02/569651202.db2.gz JQRCXZBKJOUSMR-UHFFFAOYSA-N 0 0 463.607 4.241 50 0 JIAARN O=C(NC1CC1)c1cc(COc2ccc(NC(=O)c3ccc(Br)cc3)cc2)on1 ZINC000065027298 569651807 /nfs/dbraw/zinc/65/18/07/569651807.db2.gz HRTJFGLGXAFSSV-UHFFFAOYSA-N 0 0 456.296 4.161 50 0 JIAARN COC(=O)c1c2c(sc1NC(=O)N1CCCN(c3nc4cccnc4s3)CC1)CCCC2 ZINC000065030649 569651960 /nfs/dbraw/zinc/65/19/60/569651960.db2.gz WRIWYYNFKPRWFY-UHFFFAOYSA-N 0 0 471.608 4.162 50 0 JIAARN COc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000034724771 569652640 /nfs/dbraw/zinc/65/26/40/569652640.db2.gz ZLWLJJOXNHMSNN-UHFFFAOYSA-N 0 0 461.537 4.488 50 0 JIAARN Cc1ccc(C(=O)NCc2ccccc2C)c(C2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000034724852 569652677 /nfs/dbraw/zinc/65/26/77/569652677.db2.gz UXGAAQMGPFPVEC-UHFFFAOYSA-N 0 0 457.574 4.413 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCCC4)s3)n(C)c2C)cc1 ZINC000065035894 569652700 /nfs/dbraw/zinc/65/27/00/569652700.db2.gz YXXNCVWMURFCHL-UHFFFAOYSA-N 0 0 488.635 4.201 50 0 JIAARN Cc1ccc(C(=O)NCCCc2ccccc2)c(C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000034725407 569652798 /nfs/dbraw/zinc/65/27/98/569652798.db2.gz WWOMNFHNNWKCTJ-UHFFFAOYSA-N 0 0 477.630 4.321 50 0 JIAARN CCCCN(C)S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCCCC3)s2)n(C)c1C ZINC000065036324 569653273 /nfs/dbraw/zinc/65/32/73/569653273.db2.gz HYYDOGYEPWEQKA-UHFFFAOYSA-N 0 0 466.673 4.202 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCCc4ccccc43)c(C)n2C)sc1C(=O)N1CCCC1 ZINC000065036422 569653311 /nfs/dbraw/zinc/65/33/11/569653311.db2.gz QNOPOEFZYAHVLM-UHFFFAOYSA-N 0 0 484.647 4.143 50 0 JIAARN Cc1ccc(CNS(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCCCC4)s3)n(C)c2C)o1 ZINC000065036336 569653322 /nfs/dbraw/zinc/65/33/22/569653322.db2.gz 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ZINC000035911583 569726705 /nfs/dbraw/zinc/72/67/05/569726705.db2.gz KEIROXHYEDZJDC-UHFFFAOYSA-N 0 0 483.597 4.393 50 0 JIAARN CCCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cccc(C)c4)n3)c(=O)n12 ZINC000035911881 569726981 /nfs/dbraw/zinc/72/69/81/569726981.db2.gz PSJGYLJTQLHPGL-UHFFFAOYSA-N 0 0 463.607 4.383 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCc4ccccc4)n3c2=O)nn1-c1cccc(C)c1 ZINC000035911863 569726983 /nfs/dbraw/zinc/72/69/83/569726983.db2.gz BMJOCIDDTDFBAB-UHFFFAOYSA-N 0 0 497.624 4.435 50 0 JIAARN CC[C@@H](C)NC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cccc(C)c4C)n3)c(=O)n12 ZINC000035912002 569727102 /nfs/dbraw/zinc/72/71/02/569727102.db2.gz KBDNYRCZYRUUSF-OAHLLOKOSA-N 0 0 463.607 4.300 50 0 JIAARN Cc1ccc2c(c1)c(=O)n(-c1ccc(C(C)C)cc1)c(=O)n2CC(=O)NCc1ccc(F)cc1 ZINC000095546038 569727193 /nfs/dbraw/zinc/72/71/93/569727193.db2.gz WQSLYVGIQVQPGT-UHFFFAOYSA-N 0 0 459.521 4.040 50 0 JIAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1ccccc1C ZINC000095549706 569727380 /nfs/dbraw/zinc/72/73/80/569727380.db2.gz DELNLHAYJQNLIN-UHFFFAOYSA-N 0 0 485.632 4.352 50 0 JIAARN COCc1nc(C2CC2)nc(N2CCN(C(=O)NC(C)(C)C)CC2)c1Cc1cccc(C)c1 ZINC000095550786 569727510 /nfs/dbraw/zinc/72/75/10/569727510.db2.gz UZFLHQAQEDYTQJ-UHFFFAOYSA-N 0 0 451.615 4.030 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(C3CCOCC3)nc(N3CCN(C(=O)c4ccccc4C)CC3)c12 ZINC000035912610 569727638 /nfs/dbraw/zinc/72/76/38/569727638.db2.gz ZEENVISRAXOZGZ-UHFFFAOYSA-N 0 0 496.615 4.289 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccccc4)n3c2=O)nn1-c1ccccc1F ZINC000035925758 569729115 /nfs/dbraw/zinc/72/91/15/569729115.db2.gz UFZINBAAJRAGAS-UHFFFAOYSA-N 0 0 487.560 4.224 50 0 JIAARN CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000035926106 569729371 /nfs/dbraw/zinc/72/93/71/569729371.db2.gz IHJMUQDHGVDVHK-HXUWFJFHSA-N 0 0 490.633 4.230 50 0 JIAARN COc1ccccc1-n1c(SCc2ccccc2C(=O)N2CCOCC2)nnc1-c1ccco1 ZINC000095925521 569730211 /nfs/dbraw/zinc/73/02/11/569730211.db2.gz WTAZOFHGCBBOPO-UHFFFAOYSA-N 0 0 476.558 4.301 50 0 JIAARN COc1ccc(-n2c(SCc3ccccc3C(=O)N3CCOCC3)nnc2-c2ccco2)cc1 ZINC000095925523 569730230 /nfs/dbraw/zinc/73/02/30/569730230.db2.gz QAMUSTYHUSPCPP-UHFFFAOYSA-N 0 0 476.558 4.301 50 0 JIAARN COC(=O)c1nc(NC(=O)c2cc3c([nH]2)c(OC)ccc3OC)sc1Cc1ccccc1 ZINC000095926459 569730376 /nfs/dbraw/zinc/73/03/76/569730376.db2.gz FNSYJLIVCIMHGW-UHFFFAOYSA-N 0 0 451.504 4.271 50 0 JIAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1nnc(CC(C)C)s1)C(=O)OC2 ZINC000095928385 569730547 /nfs/dbraw/zinc/73/05/47/569730547.db2.gz SLVWKYCTGLONNI-AWNIVKPZSA-N 0 0 459.568 4.337 50 0 biogenic JIAARN Cn1c2cc(-c3cccc(C(=O)N[C@H]4CCCC[C@H]4OCc4ccccc4)c3)cnc2[nH]c1=O ZINC000095945777 569730927 /nfs/dbraw/zinc/73/09/27/569730927.db2.gz HRPPVPLCXCFENS-LADGPHEKSA-N 0 0 456.546 4.186 50 0 JIAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000095947503 569731214 /nfs/dbraw/zinc/73/12/14/569731214.db2.gz IVRDZZCTCOTSKW-KSSFIOAISA-N 0 0 482.624 4.196 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000096113965 569733134 /nfs/dbraw/zinc/73/31/34/569733134.db2.gz YNRRJRCQRJXROH-XUZZJYLKSA-N 0 0 457.438 4.062 50 0 biogenic JIAARN Cc1ccc2cc([C@@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(O)cc6)coc-5c43)c(=O)[nH]c2c1 ZINC000096114211 569733247 /nfs/dbraw/zinc/73/32/47/569733247.db2.gz KXBVRUIAQRIQRH-KRWDZBQOSA-N 0 0 481.460 4.462 50 0 biogenic JIAARN COc1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc2c1OCCO2 ZINC000096114306 569733490 /nfs/dbraw/zinc/73/34/90/569733490.db2.gz ZSZMOKPCYVEPRN-SQJMNOBHSA-N 0 0 471.465 4.104 50 0 biogenic JIAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1 ZINC000096114761 569733838 /nfs/dbraw/zinc/73/38/38/569733838.db2.gz JUSUUMVQUZUTFY-SQJMNOBHSA-N 0 0 489.480 4.056 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1F)C(=O)C1CCCC1 ZINC000035946752 569733966 /nfs/dbraw/zinc/73/39/66/569733966.db2.gz XQYHRJKNWKRAAU-OAQYLSRUSA-N 0 0 457.571 4.230 50 0 JIAARN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@@H](c1ccc3nccnc3c1)CC(=O)O2 ZINC000096114881 569733981 /nfs/dbraw/zinc/73/39/81/569733981.db2.gz DGQBRJSDITYMOR-MRXNPFEDSA-N 0 0 452.422 4.255 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1)C(=O)c1ccc(OC)cc1 ZINC000035947110 569734247 /nfs/dbraw/zinc/73/42/47/569734247.db2.gz NUPUKZSZTBNQQF-AREMUKBSSA-N 0 0 489.547 4.301 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1OC)C(=O)C1CCCC1 ZINC000035947084 569734262 /nfs/dbraw/zinc/73/42/62/569734262.db2.gz LKVBLXCOTKLKPZ-DEOSSOPVSA-N 0 0 481.568 4.177 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F)C(=O)NC(C)(C)C ZINC000035947236 569734358 /nfs/dbraw/zinc/73/43/58/569734358.db2.gz DSEYOTAFSOLAFV-JOCHJYFZSA-N 0 0 472.536 4.099 50 0 JIAARN COc1cccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2cc(OC)c(O)c(OC)c2)c1 ZINC000096115633 569734666 /nfs/dbraw/zinc/73/46/66/569734666.db2.gz AOTHYVSNRNGVRF-PXDATVDWSA-N 0 0 489.480 4.056 50 0 biogenic JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000035947793 569734777 /nfs/dbraw/zinc/73/47/77/569734777.db2.gz UHWCTSPNDQUILW-DEOSSOPVSA-N 0 0 479.577 4.039 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000035948399 569735375 /nfs/dbraw/zinc/73/53/75/569735375.db2.gz ADZYABRSKOJIMH-NRFANRHFSA-N 0 0 493.585 4.224 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)C(=O)c1cccc(F)c1 ZINC000035948495 569735379 /nfs/dbraw/zinc/73/53/79/569735379.db2.gz UDXWHMJCJFNJAW-IBGZPJMESA-N 0 0 471.579 4.415 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccccc2OC)cc1 ZINC000035948450 569735403 /nfs/dbraw/zinc/73/54/03/569735403.db2.gz ZAUAHRCGBJTXMA-OAQYLSRUSA-N 0 0 463.559 4.215 50 0 JIAARN COc1ccc(OC)c([C@@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)c2ccccc2F)c1 ZINC000035948625 569735486 /nfs/dbraw/zinc/73/54/86/569735486.db2.gz MLGCCCBIQXEBDI-NRFANRHFSA-N 0 0 481.549 4.354 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1sccc1C)C(=O)NC(C)(C)C ZINC000035948964 569735751 /nfs/dbraw/zinc/73/57/51/569735751.db2.gz BCTQYHKXQJZATR-KRWDZBQOSA-N 0 0 462.641 4.252 50 0 JIAARN COc1ccc2[nH]c(=O)c([C@@H]3SC(C)=Nc4c3c(=O)[nH]n4[C@H]3CCOC(C)(C)C3)cc2c1 ZINC000096118331 569736161 /nfs/dbraw/zinc/73/61/61/569736161.db2.gz QFLQRGHXIAUVDU-LIRRHRJNSA-N 0 0 454.552 4.043 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(C)C(=O)C2CCCC2)cc1 ZINC000035960974 569736664 /nfs/dbraw/zinc/73/66/64/569736664.db2.gz OMWUKPZSBPXLGW-DEOSSOPVSA-N 0 0 479.577 4.039 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@@H](c3ccccc3F)C2)c(OC)c1 ZINC000035961013 569736719 /nfs/dbraw/zinc/73/67/19/569736719.db2.gz POBFHIJMTNKWPX-XMMPIXPASA-N 0 0 493.510 4.432 50 0 JIAARN COc1ccccc1[C@@H]1CC(c2ccccc2F)=NN1C(=O)CN(C)C(=O)c1cccs1 ZINC000035961066 569736750 /nfs/dbraw/zinc/73/67/50/569736750.db2.gz MJTJFUWPGSKEQR-FQEVSTJZSA-N 0 0 451.523 4.346 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1OC)C(=O)CC(C)(C)C ZINC000035962483 569737693 /nfs/dbraw/zinc/73/76/93/569737693.db2.gz UPANNIKDQSJYAQ-XMMPIXPASA-N 0 0 495.620 4.293 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@@H](c3ccccc3OC)C2)c1 ZINC000035962542 569737723 /nfs/dbraw/zinc/73/77/23/569737723.db2.gz JCKFSEJUPPPNFL-JOCHJYFZSA-N 0 0 451.567 4.276 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)NC(C)(C)C)[C@@H](c3ccccc3Cl)C2)c1 ZINC000035963199 569737923 /nfs/dbraw/zinc/73/79/23/569737923.db2.gz ZYXYHACIUXWNIR-OAQYLSRUSA-N 0 0 456.974 4.466 50 0 JIAARN CC(C)C[C@H](C(=O)Nc1ccc(F)cc1)N1CC2=C(C1=O)[C@@H](c1ccccc1Cl)NC(=O)N2C ZINC000035964828 569738297 /nfs/dbraw/zinc/73/82/97/569738297.db2.gz IQCKYWJVNFSFEI-DENIHFKCSA-N 0 0 484.959 4.325 50 0 JIAARN COc1ccc2c(C)c(CC(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)c(=O)oc2c1OC ZINC000096222689 569739680 /nfs/dbraw/zinc/73/96/80/569739680.db2.gz PBAFRZQNULTGLN-IBGZPJMESA-N 0 0 481.574 4.148 50 0 biogenic JIAARN CC1CCC2(CC1)OC[C@@H](C(=O)NCc1cccnc1)N2C(=O)c1ccccc1C(F)(F)F ZINC000035981606 569742769 /nfs/dbraw/zinc/74/27/69/569742769.db2.gz GCYXNKDPXJKFIX-UKAYHFCDSA-N 0 0 461.484 4.164 50 0 JIAARN CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccccc1C ZINC000035987460 569743452 /nfs/dbraw/zinc/74/34/52/569743452.db2.gz XXPZIAISMFJYQR-WMZHIEFXSA-N 0 0 498.023 4.037 50 0 JIAARN CCc1nn(-c2ccc(OC)cc2)c2sc(C(=O)NCCCNC(=O)c3ccccc3F)cc12 ZINC000035989103 569743803 /nfs/dbraw/zinc/74/38/03/569743803.db2.gz UCSVPWCMDZURLU-UHFFFAOYSA-N 0 0 480.565 4.347 50 0 JIAARN CCc1nn(-c2ccc(C)cc2)c2sc(C(=O)NCCNC(=O)c3ccc(OC)cc3)cc12 ZINC000035989043 569743808 /nfs/dbraw/zinc/74/38/08/569743808.db2.gz JHKSDTMBNCDYMW-UHFFFAOYSA-N 0 0 462.575 4.126 50 0 JIAARN Cc1nn(-c2ccccc2Cl)c2nc(C)nc(N3CCN(C(=O)c4ccc(F)cc4)CC3)c12 ZINC000035990255 569744102 /nfs/dbraw/zinc/74/41/02/569744102.db2.gz LJHSVCAYPIQWRO-UHFFFAOYSA-N 0 0 464.932 4.187 50 0 JIAARN CCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(N2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000035990235 569744105 /nfs/dbraw/zinc/74/41/05/569744105.db2.gz UKIOVDZRVFQMHO-UHFFFAOYSA-N 0 0 458.541 4.096 50 0 JIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000097105709 569744129 /nfs/dbraw/zinc/74/41/29/569744129.db2.gz DKAQROKQIWDVHD-IBGZPJMESA-N 0 0 461.902 4.435 50 0 JIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000097105713 569744137 /nfs/dbraw/zinc/74/41/37/569744137.db2.gz DKAQROKQIWDVHD-LJQANCHMSA-N 0 0 461.902 4.435 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cnc(-c3ccc(F)cc3)nc2N(C)C2CCCCC2)C1 ZINC000036003138 569746505 /nfs/dbraw/zinc/74/65/05/569746505.db2.gz CHCFFWTVABWHNG-LJQANCHMSA-N 0 0 468.573 4.467 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(Cc2ccccn2)C(=O)c2ccc(OC)cc2)c1C ZINC000036004388 569746878 /nfs/dbraw/zinc/74/68/78/569746878.db2.gz YRTHUETUVOHRAC-GOSISDBHSA-N 0 0 463.534 4.126 50 0 JIAARN Cc1ccc(C)c(-c2cc(C(=O)N(CC(=O)NCc3ccccn3)Cc3ccccc3)no2)c1 ZINC000036015459 569749137 /nfs/dbraw/zinc/74/91/37/569749137.db2.gz KZTWJSWRMTUJLN-UHFFFAOYSA-N 0 0 454.530 4.312 50 0 JIAARN O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)c(C(=O)N2CCCCC2)c1)C1CC1 ZINC000036019602 569749990 /nfs/dbraw/zinc/74/99/90/569749990.db2.gz HAWWULZRPDPECG-UHFFFAOYSA-N 0 0 493.583 4.154 50 0 JIAARN CC(C)c1nc2c(cnn2-c2ccccc2Cl)c(N2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000036024866 569750483 /nfs/dbraw/zinc/75/04/83/569750483.db2.gz DFOBYAQUSXAOOX-UHFFFAOYSA-N 0 0 452.990 4.431 50 0 JIAARN COCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(N2CCCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000036024935 569750498 /nfs/dbraw/zinc/75/04/98/569750498.db2.gz JYCZKRIAWBICHR-UHFFFAOYSA-N 0 0 488.567 4.070 50 0 JIAARN COc1ccc(CCN2C(=O)[C@@H](CC(C)C)NC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1OC ZINC000036029702 569751318 /nfs/dbraw/zinc/75/13/18/569751318.db2.gz ZIRRCZYTXWCDBK-XMMPIXPASA-N 0 0 493.648 4.034 50 0 JIAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1C(C)C)C(=O)c1cccs1 ZINC000036030481 569751642 /nfs/dbraw/zinc/75/16/42/569751642.db2.gz NRLYNASSMBJVJX-UHFFFAOYSA-N 0 0 475.636 4.097 50 0 JIAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1Cc1ccccc1)C(=O)C(C)C ZINC000036030451 569751645 /nfs/dbraw/zinc/75/16/45/569751645.db2.gz NVKGQFVNDWIUSR-UHFFFAOYSA-N 0 0 453.608 4.218 50 0 JIAARN CC(C)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C(=O)C1CCCC1 ZINC000036030699 569751718 /nfs/dbraw/zinc/75/17/18/569751718.db2.gz JYRUFIAHDBNUKJ-JOCHJYFZSA-N 0 0 491.629 4.102 50 0 JIAARN CC(C)Cn1c(CN(C(=S)NC2CC2)C2CC2)cnc1S(=O)(=O)Cc1cccc(Cl)c1 ZINC000036032042 569752066 /nfs/dbraw/zinc/75/20/66/569752066.db2.gz ZYXFQHDAVCXHQA-UHFFFAOYSA-N 0 0 481.087 4.168 50 0 JIAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1CC(C)C)C(=O)c1ccccc1C ZINC000036039714 569752679 /nfs/dbraw/zinc/75/26/79/569752679.db2.gz NVNWIAPJDXSMNN-UHFFFAOYSA-N 0 0 497.661 4.419 50 0 JIAARN COCCn1c(CN(CC(C)C)C(=O)c2cccs2)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000036039839 569752684 /nfs/dbraw/zinc/75/26/84/569752684.db2.gz OGVOEZZTPSONOM-UHFFFAOYSA-N 0 0 493.626 4.002 50 0 JIAARN COCCn1c(CN(CC2CC2)C(=O)c2ccccc2C)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000036039908 569752794 /nfs/dbraw/zinc/75/27/94/569752794.db2.gz HUUTYDPPHIALHC-UHFFFAOYSA-N 0 0 499.608 4.003 50 0 JIAARN COCCn1c(CN(CC2CC2)C(=O)c2ccc(C)cc2)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000036039901 569752818 /nfs/dbraw/zinc/75/28/18/569752818.db2.gz VGMYYKOZANMYDE-UHFFFAOYSA-N 0 0 499.608 4.003 50 0 JIAARN COc1ccc(N2C(=O)C[C@H](N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000100095894 569752845 /nfs/dbraw/zinc/75/28/45/569752845.db2.gz YIDQOWMKMOMVDV-BDYUSTAISA-N 0 0 490.003 4.388 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](CNS(=O)(=O)c1ccccc1)N(Cc1ccc(C)cc1)CC2 ZINC000036041099 569753664 /nfs/dbraw/zinc/75/36/64/569753664.db2.gz NRCGUZSSGWDOFD-XMMPIXPASA-N 0 0 466.603 4.090 50 0 JIAARN CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C)C(C)C ZINC000036042899 569754213 /nfs/dbraw/zinc/75/42/13/569754213.db2.gz RPIXKLDKMWFXJX-UHFFFAOYSA-N 0 0 457.065 4.196 50 0 JIAARN 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Cc1ccc(C(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CCN(C)CC2)C[C@@H]2CCCO2)cc1 ZINC000036312235 569760069 /nfs/dbraw/zinc/76/00/69/569760069.db2.gz RGZYGETUMQYWFA-DEOSSOPVSA-N 0 0 492.595 4.362 50 0 JIAARN COc1ccc(C(=O)N(Cc2c(-c3ccccc3F)noc2N2CCOCC2)C2CC2)cc1 ZINC000036313256 569760575 /nfs/dbraw/zinc/76/05/75/569760575.db2.gz CPJXUSAYCIPPGN-UHFFFAOYSA-N 0 0 451.498 4.131 50 0 JIAARN COc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=S)Nc3ccc(F)cc3)C2=O)cc1 ZINC000100578068 569765195 /nfs/dbraw/zinc/76/51/95/569765195.db2.gz AKCXTDXJOCWPEJ-QHCPKHFHSA-N 0 0 477.561 4.408 50 0 JIAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036342041 569765277 /nfs/dbraw/zinc/76/52/77/569765277.db2.gz MBKFTKNNFPUTFB-HSZRJFAPSA-N 0 0 471.573 4.346 50 0 JIAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1ccc(OC)cc1 ZINC000036342892 569766201 /nfs/dbraw/zinc/76/62/01/569766201.db2.gz HTIUKFRLKTZOBE-RPBOFIJWSA-N 0 0 463.578 4.099 50 0 JIAARN CCc1ccc(N2C(=O)C[C@H](N(Cc3ccc(OC)cc3)C(=O)c3cccc(F)c3)C2=O)cc1 ZINC000100747498 569768647 /nfs/dbraw/zinc/76/86/47/569768647.db2.gz IGFFMEVPLHGJNL-DEOSSOPVSA-N 0 0 460.505 4.371 50 0 JIAARN CN(Cc1ccccc1)C(=C(Cl)Cl)C(=C1NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-] ZINC000100788587 569769959 /nfs/dbraw/zinc/76/99/59/569769959.db2.gz JVTXHXBNQNEAKP-CZIZESTLSA-N 0 0 468.772 4.365 50 0 JIAARN COC(=O)c1c(C)[nH]c(-c2cc(OC)c(OC)c(OC)c2)c1[C@H]1C(=O)Nc2ccc(C)cc21 ZINC000100791917 569770049 /nfs/dbraw/zinc/77/00/49/569770049.db2.gz NQUKMKOPRLEDFL-FQEVSTJZSA-N 0 0 450.491 4.195 50 0 biogenic JIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(Cl)ccc3n2CC)cc1 ZINC000100821112 569771172 /nfs/dbraw/zinc/77/11/72/569771172.db2.gz MNRHXMIMOCAWSW-XDOYNYLZSA-N 0 0 452.001 4.148 50 0 JIAARN CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000036357950 569772150 /nfs/dbraw/zinc/77/21/50/569772150.db2.gz QEAPVCCCWVCHIN-QFIPXVFZSA-N 0 0 454.958 4.364 50 0 JIAARN 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ZINC000100940759 569776886 /nfs/dbraw/zinc/77/68/86/569776886.db2.gz BSQGVECELOXXEE-MBSDFSHPSA-N 0 0 469.607 4.127 50 0 JIAARN CCC1=C(C(=O)OC)[C@@H](c2ccc(Cl)cc2)N2C(CC(=O)NC[C@H]3CCCO3)=CSC2=N1 ZINC000100948721 569777597 /nfs/dbraw/zinc/77/75/97/569777597.db2.gz GJSXDZFLBZVHJM-DYESRHJHSA-N 0 0 475.998 4.163 50 0 JIAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC(C)C)N2[C@H]1c1ccc(Cl)cc1 ZINC000100949308 569777623 /nfs/dbraw/zinc/77/76/23/569777623.db2.gz OJGNRGFDJIWWCZ-FQEVSTJZSA-N 0 0 463.987 4.019 50 0 JIAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2c3c(sc2-n2cccc2)CSCC3)c1C ZINC000036790587 569780707 /nfs/dbraw/zinc/78/07/07/569780707.db2.gz PWDLTRALCIRLDZ-UHFFFAOYSA-N 0 0 475.661 4.448 50 0 JIAARN CCOC(=O)C1=C(CN2CCC[C@H](C(F)(F)F)C2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 ZINC000037181226 569781491 /nfs/dbraw/zinc/78/14/91/569781491.db2.gz ZUAYHBPOZGQAPA-JXFKEZNVSA-N 0 0 451.489 4.007 50 0 JIAARN O=C(NC1CC1)c1coc(COc2ccc3c(c2)[C@H](c2cccc(F)c2)N(C(=O)C2CC2)CC3)n1 ZINC000037282178 569782958 /nfs/dbraw/zinc/78/29/58/569782958.db2.gz DGXHVPAGDXKKPO-VWLOTQADSA-N 0 0 475.520 4.169 50 0 JIAARN Cc1cccc([C@H]2c3cc(O[C@H](C)C(=O)N4CCOCC4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000037282008 569783042 /nfs/dbraw/zinc/78/30/42/569783042.db2.gz PUNZOYXOILQQSB-ZBLYBZFDSA-N 0 0 476.617 4.285 50 0 JIAARN O=C(NCC1CC1)c1coc(COc2ccc3c(c2)[C@@H](c2cccc(F)c2)N(C(=O)C2CC2)CC3)n1 ZINC000037282192 569783066 /nfs/dbraw/zinc/78/30/66/569783066.db2.gz GIKZFKWAHSXNLF-AREMUKBSSA-N 0 0 489.547 4.417 50 0 JIAARN COc1ccc(NC(=O)N2CCN(c3cc(Oc4ccc(F)c(F)c4)ncn3)C[C@H]2C)cc1 ZINC000037285027 569783139 /nfs/dbraw/zinc/78/31/39/569783139.db2.gz OWXLHVDYCRKUQF-OAHLLOKOSA-N 0 0 455.465 4.298 50 0 JIAARN Nc1c2c(nn1Cc1ccccc1)nc(NCCc1ccccn1)nc2-c1cccc(F)c1F ZINC000037376090 569784349 /nfs/dbraw/zinc/78/43/49/569784349.db2.gz FIXPEWJQAAWNOP-UHFFFAOYSA-N 0 0 457.488 4.452 50 0 JIAARN CCNC(=O)N1CCN(c2nc(Cc3ccc(C)cc3)nc3c2c(C)nn3-c2ccc(F)cc2)CC1 ZINC000037379365 569784760 /nfs/dbraw/zinc/78/47/60/569784760.db2.gz GSVOXSDRSJGWFA-UHFFFAOYSA-N 0 0 487.583 4.014 50 0 JIAARN Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)C4CCC4)CC3)c12 ZINC000037379657 569784765 /nfs/dbraw/zinc/78/47/65/569784765.db2.gz WUZBDVWTJXVBPJ-UHFFFAOYSA-N 0 0 484.579 4.303 50 0 JIAARN Cn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000101160946 569785145 /nfs/dbraw/zinc/78/51/45/569785145.db2.gz GHHPFLMKKFTWBC-UHFFFAOYSA-N 0 0 489.395 4.061 50 0 JIAARN COCCOc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)c3cccc(OC)c3)cc2)n1 ZINC000037384980 569786042 /nfs/dbraw/zinc/78/60/42/569786042.db2.gz WFXAQRVZUPDBBV-UHFFFAOYSA-N 0 0 462.481 4.360 50 0 JIAARN CCOCCOc1nc(-c2ccco2)n(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000037385353 569786204 /nfs/dbraw/zinc/78/62/04/569786204.db2.gz UHAWVZXGHWETDM-UHFFFAOYSA-N 0 0 488.953 4.397 50 0 JIAARN CCC[C@@H](C(=O)NCCN1CCOCC1)n1c(Cc2cccc(Cl)c2)nc2ccccc21 ZINC000037396840 569786542 /nfs/dbraw/zinc/78/65/42/569786542.db2.gz SYSYBNOEOSPFOU-QHCPKHFHSA-N 0 0 455.002 4.070 50 0 JIAARN COCCOc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000037396498 569786546 /nfs/dbraw/zinc/78/65/46/569786546.db2.gz LBIPKORHZXTFMM-UHFFFAOYSA-N 0 0 450.445 4.490 50 0 JIAARN Cc1ccc(-n2c(SCc3ccc(C(=O)N4CCOCC4)cc3)nnc2-c2cccnc2)cc1 ZINC000037397691 569786915 /nfs/dbraw/zinc/78/69/15/569786915.db2.gz XGVUGDQCFBOZKJ-UHFFFAOYSA-N 0 0 471.586 4.402 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(CN(Cc3ccco3)C(=O)NC(C)C)c2)cc1 ZINC000037399901 569787978 /nfs/dbraw/zinc/78/79/78/569787978.db2.gz KNBWOPLTPXPRCY-UHFFFAOYSA-N 0 0 485.562 4.126 50 0 JIAARN COCCN(Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)c1ccccc1Cl ZINC000037401228 569788319 /nfs/dbraw/zinc/78/83/19/569788319.db2.gz GLTDZJRSWSRRNJ-UHFFFAOYSA-N 0 0 489.977 4.405 50 0 JIAARN Cn1nc(C(C)(C)C)c2c1N(CC(=O)NCc1ccc(F)cc1)C(=O)CS[C@@H]2c1ccc(F)cc1 ZINC000037425139 569788952 /nfs/dbraw/zinc/78/89/52/569788952.db2.gz KEGDSBLFASIRQN-HSZRJFAPSA-N 0 0 498.599 4.481 50 0 JIAARN CCc1ccc(-n2nc3c4cc(C(=O)NCc5ccc(OC)c(OC)c5)ccc4[nH]cc-3c2=O)cc1 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/nfs/dbraw/zinc/10/40/90/195104090.db2.gz HVHLZSCNQXZWIC-UHFFFAOYSA-N 0 0 480.634 4.150 50 0 JIAARN CCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)c1 ZINC000012751672 195106103 /nfs/dbraw/zinc/10/61/03/195106103.db2.gz YJPPYOJOYVJUTC-UHFFFAOYSA-N 0 0 467.595 4.002 50 0 JIAARN CCOc1cc(/C=C/C(=O)N2CCN([C@H](C(=O)OC)c3ccccc3Cl)CC2)cc(Cl)c1O ZINC000012752215 195106761 /nfs/dbraw/zinc/10/67/61/195106761.db2.gz IFSFSZIRKJTCJK-UVIRAJKCSA-N 0 0 493.387 4.169 50 0 JIAARN COCCn1c(S[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000012752793 195107019 /nfs/dbraw/zinc/10/70/19/195107019.db2.gz AGAAXBBSDWTPOX-YOEHRIQHSA-N 0 0 459.637 4.122 50 0 JIAARN Cc1ccc(-c2noc(CN3CCN(C(=O)c4occc4COc4ccccc4)CC3)n2)cc1 ZINC000012755329 195108523 /nfs/dbraw/zinc/10/85/23/195108523.db2.gz YVOYBFATUPOUSQ-UHFFFAOYSA-N 0 0 458.518 4.175 50 0 JIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000012759379 195109871 /nfs/dbraw/zinc/10/98/71/195109871.db2.gz WUCAUGHVYRKZHT-UHFFFAOYSA-N 0 0 454.741 4.484 50 0 JIAARN O=C(COc1ccc(Br)cc1)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000012763106 195112044 /nfs/dbraw/zinc/11/20/44/195112044.db2.gz BDVPHBODJNFULS-UHFFFAOYSA-N 0 0 483.318 4.125 50 0 JIAARN O=c1c2c(-c3ccc(F)cc3)csc2ncn1C[C@@H](O)COc1cccc(Br)c1 ZINC000012764218 195112815 /nfs/dbraw/zinc/11/28/15/195112815.db2.gz MINNJMRFCXITSZ-MRXNPFEDSA-N 0 0 475.339 4.467 50 0 JIAARN CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)ccc1Cl ZINC000012767174 195114471 /nfs/dbraw/zinc/11/44/71/195114471.db2.gz VBDBGQFTJSCODA-UHFFFAOYSA-N 0 0 458.971 4.371 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(SCCCC(=O)c1ccccc1)n(C[C@@H]1CCCO1)c2=O ZINC000012767767 195114987 /nfs/dbraw/zinc/11/49/87/195114987.db2.gz LHKDHUSFSNQRLX-IBGZPJMESA-N 0 0 466.559 4.117 50 0 JIAARN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccccc1Br ZINC000012769155 195116162 /nfs/dbraw/zinc/11/61/62/195116162.db2.gz UOXQCHRKUAPZAL-UHFFFAOYSA-N 0 0 468.277 4.119 50 0 JIAARN COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nc2ccccc2c(=O)n1C1CCCC1 ZINC000012770989 195117591 /nfs/dbraw/zinc/11/75/91/195117591.db2.gz NHGUQEJZHIOURS-UHFFFAOYSA-N 0 0 473.576 4.021 50 0 JIAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)s1 ZINC000012770122 195116891 /nfs/dbraw/zinc/11/68/91/195116891.db2.gz GPVYTBIJHRJFFR-UHFFFAOYSA-N 0 0 459.568 4.223 50 0 JIAARN COc1ccc(N(Cc2nc(-c3ccc(F)cc3)no2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000012775085 195120157 /nfs/dbraw/zinc/12/01/57/195120157.db2.gz KYHNOLHKWNLTKV-UHFFFAOYSA-N 0 0 497.504 4.051 50 0 JIAARN COc1ccc(OC)c([C@H](C)NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 ZINC000012775138 195120318 /nfs/dbraw/zinc/12/03/18/195120318.db2.gz GKNRBKXWZMXYGG-HNNXBMFYSA-N 0 0 475.383 4.196 50 0 JIAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1CC ZINC000012776515 195121197 /nfs/dbraw/zinc/12/11/97/195121197.db2.gz RCOVVVSDQZPNEA-KRWDZBQOSA-N 0 0 481.622 4.114 50 0 JIAARN O=C(Nc1nc(-c2cccs2)cs1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012776779 195121466 /nfs/dbraw/zinc/12/14/66/195121466.db2.gz SCSASOAJAAUGHO-UHFFFAOYSA-N 0 0 451.570 4.050 50 0 JIAARN CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)ccc1Cl ZINC000012777309 195122053 /nfs/dbraw/zinc/12/20/53/195122053.db2.gz KJPYWLKCXXCTBU-OAQYLSRUSA-N 0 0 496.079 4.300 50 0 JIAARN Cc1ccc(N[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000012778173 195122507 /nfs/dbraw/zinc/12/25/07/195122507.db2.gz GZYMLLGFZKAEAQ-LJQANCHMSA-N 0 0 458.628 4.065 50 0 JIAARN COc1cc(-c2nnc(S[C@@H](C)C(=O)N3CCCc4ccccc43)o2)cc(OC)c1OC ZINC000012778633 195122800 /nfs/dbraw/zinc/12/28/00/195122800.db2.gz ALJIXDWYQGJUDA-AWEZNQCLSA-N 0 0 455.536 4.222 50 0 JIAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000012779412 195123288 /nfs/dbraw/zinc/12/32/88/195123288.db2.gz AXEAZILDCJVICQ-UHFFFAOYSA-N 0 0 489.553 4.282 50 0 JIAARN COCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000012779894 195123804 /nfs/dbraw/zinc/12/38/04/195123804.db2.gz JAWWXPGEFBNCOV-OAHLLOKOSA-N 0 0 457.983 4.156 50 0 JIAARN COc1ccc(CN(C)C(=O)CSc2nnc(N3CCCCC3)n2-c2ccccc2)cc1F ZINC000012782103 195124935 /nfs/dbraw/zinc/12/49/35/195124935.db2.gz INGMQBBPZSGORI-UHFFFAOYSA-N 0 0 469.586 4.156 50 0 JIAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)OCCO2 ZINC000012782298 195125220 /nfs/dbraw/zinc/12/52/20/195125220.db2.gz LIDMZYAVOIDMBH-CQSZACIVSA-N 0 0 499.416 4.043 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2OCc2noc(C)n2)cc1 ZINC000012782571 195125283 /nfs/dbraw/zinc/12/52/83/195125283.db2.gz GUNWZJLVMFXMLE-UHFFFAOYSA-N 0 0 458.474 4.470 50 0 JIAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)c1ccc(Cl)cc1 ZINC000012783999 195126207 /nfs/dbraw/zinc/12/62/07/195126207.db2.gz DJEDKAYIVHNLHF-HNNXBMFYSA-N 0 0 472.950 4.038 50 0 JIAARN COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nnc(-c2ccccc2)n1Cc1ccco1 ZINC000012783993 195126256 /nfs/dbraw/zinc/12/62/56/195126256.db2.gz HUESZEKTLAMIKC-UHFFFAOYSA-N 0 0 484.559 4.096 50 0 JIAARN CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)ccc1Cl ZINC000012784215 195126408 /nfs/dbraw/zinc/12/64/08/195126408.db2.gz YQEUXUZRRWFMOS-UHFFFAOYSA-N 0 0 461.996 4.455 50 0 JIAARN O=C(NC1CCC(C(F)(F)F)CC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000012784336 195126428 /nfs/dbraw/zinc/12/64/28/195126428.db2.gz MLYPITKIIRQKKA-UHFFFAOYSA-N 0 0 486.478 4.343 50 0 JIAARN CCOCCCn1c(S[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)nc2sc(C)c(C)c2c1=O ZINC000012784601 195126720 /nfs/dbraw/zinc/12/67/20/195126720.db2.gz NYZJQHOJYQPGIH-IIDMSEBBSA-N 0 0 465.685 4.487 50 0 JIAARN Cc1nc(-c2ccc(CNC(=O)c3cc(S(N)(=O)=O)c(Cl)cc3Cl)s2)cs1 ZINC000012789385 195130442 /nfs/dbraw/zinc/13/04/42/195130442.db2.gz ZGSQJVLNTYHCNL-UHFFFAOYSA-N 0 0 462.405 4.064 50 0 JIAARN COc1cccc([C@H](NC(=O)COc2c(C)cc(Br)cc2Cl)c2nccn2C)c1 ZINC000012790623 195131714 /nfs/dbraw/zinc/13/17/14/195131714.db2.gz APDFJYWWSLVXQB-IBGZPJMESA-N 0 0 478.774 4.438 50 0 JIAARN CN(CC(=O)N1CCN(Cc2ccc(Br)s2)CC1)Cc1ccc(Cl)s1 ZINC000012791086 195131879 /nfs/dbraw/zinc/13/18/79/195131879.db2.gz CLJHVUFVUKVPRT-UHFFFAOYSA-N 0 0 462.866 4.002 50 0 JIAARN CN(C(=O)CSc1nnc(NC[C@@H]2CCCO2)s1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000012792834 195133523 /nfs/dbraw/zinc/13/35/23/195133523.db2.gz REQAOWQXJZNCJQ-OYHNWAKOSA-N 0 0 495.070 4.372 50 0 JIAARN CCC[C@H](NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCC(=O)OC)c1ccccc1 ZINC000012793678 195133982 /nfs/dbraw/zinc/13/39/82/195133982.db2.gz PNUKHJFDXDXORZ-XLIONFOSSA-N 0 0 467.591 4.098 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000012793575 195134058 /nfs/dbraw/zinc/13/40/58/195134058.db2.gz OXLVZKCGTQEDBR-UHFFFAOYSA-N 0 0 460.474 4.267 50 0 JIAARN Cc1ccc(C)c(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012795806 195135792 /nfs/dbraw/zinc/13/57/92/195135792.db2.gz MMOUFDPGGPCXBB-LJQANCHMSA-N 0 0 451.386 4.248 50 0 JIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)c1 ZINC000012797216 195136793 /nfs/dbraw/zinc/13/67/93/195136793.db2.gz KOKMNATUEJCDLY-SFHVURJKSA-N 0 0 458.971 4.268 50 0 JIAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000012803258 195140462 /nfs/dbraw/zinc/14/04/62/195140462.db2.gz QWHWPEHBIQUNDX-UHFFFAOYSA-N 0 0 478.393 4.266 50 0 JIAARN CCCCN1C(=O)c2ccc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)cc2C1=O ZINC000012808055 195142833 /nfs/dbraw/zinc/14/28/33/195142833.db2.gz PJMPFKGNSAJGPA-UHFFFAOYSA-N 0 0 462.333 4.100 50 0 JIAARN Cc1c(Cl)cccc1Nc1nnc(SCC(=O)NC[C@H]2COc3ccccc3O2)s1 ZINC000012812326 195144789 /nfs/dbraw/zinc/14/47/89/195144789.db2.gz RSOGQICSCOBEAS-ZDUSSCGKSA-N 0 0 462.984 4.292 50 0 JIAARN COCc1c(C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)sc2cccc(F)c21 ZINC000012812480 195145073 /nfs/dbraw/zinc/14/50/73/195145073.db2.gz YXRDRCSLJVASKG-UHFFFAOYSA-N 0 0 469.582 4.200 50 0 JIAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCC3(N4CCOCC4)CCCCC3)o2)cc1 ZINC000012812902 195145325 /nfs/dbraw/zinc/14/53/25/195145325.db2.gz CTXGMXVNAPYSAP-UHFFFAOYSA-N 0 0 472.655 4.278 50 0 JIAARN COc1ccc2c(c1)CCC[C@@]21NC(=O)N([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1=O ZINC000012815033 195146606 /nfs/dbraw/zinc/14/66/06/195146606.db2.gz MGVOUMHCKUGSOX-KWMCUTETSA-N 0 0 469.541 4.473 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc4ccccc4c3)CC2)cc1OC ZINC000012822206 195149836 /nfs/dbraw/zinc/14/98/36/195149836.db2.gz ORMJANFVVSHDKF-GOSISDBHSA-N 0 0 482.602 4.135 50 0 JIAARN CC(=O)Nc1ccc2c(COC(=O)c3nn(-c4ccc(F)cc4)c4c3CCCC4)cc(=O)oc2c1 ZINC000012822478 195150154 /nfs/dbraw/zinc/15/01/54/195150154.db2.gz RHTVILQJUDNASX-UHFFFAOYSA-N 0 0 475.476 4.312 50 0 JIAARN O=C(Cc1csc(-c2ccccn2)n1)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000012845665 195152136 /nfs/dbraw/zinc/15/21/36/195152136.db2.gz MTTOVVMMSOJVTC-UHFFFAOYSA-N 0 0 457.511 4.426 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)C1 ZINC000012846155 195152467 /nfs/dbraw/zinc/15/24/67/195152467.db2.gz AEGNDEUHODBNDH-OAQYLSRUSA-N 0 0 454.530 4.479 50 0 JIAARN CNS(=O)(=O)c1cc(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c32)ccc1C ZINC000012849509 195153908 /nfs/dbraw/zinc/15/39/08/195153908.db2.gz APSDKHYTGULLNS-UHFFFAOYSA-N 0 0 470.576 4.345 50 0 JIAARN COc1cc(C(=O)NCC(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1OC(F)F ZINC000012853570 195156173 /nfs/dbraw/zinc/15/61/73/195156173.db2.gz YOEYMZKRPATXJA-UHFFFAOYSA-N 0 0 475.517 4.042 50 0 JIAARN COc1ccccc1OCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1 ZINC000012862407 195159711 /nfs/dbraw/zinc/15/97/11/195159711.db2.gz IPPKKQGNLCPCSW-UHFFFAOYSA-N 0 0 489.597 4.298 50 0 JIAARN CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCS3 ZINC000012867251 195161862 /nfs/dbraw/zinc/16/18/62/195161862.db2.gz ONVOVRBNASOVBS-UHFFFAOYSA-N 0 0 475.661 4.455 50 0 JIAARN CN(C)[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1Cl ZINC000012867467 195161921 /nfs/dbraw/zinc/16/19/21/195161921.db2.gz BYDRVKFBRWJJTO-LJQANCHMSA-N 0 0 454.924 4.389 50 0 JIAARN CC(C)[C@@H](C(=O)NCc1ccccc1Cl)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012873411 195164577 /nfs/dbraw/zinc/16/45/77/195164577.db2.gz KTCXMOMIASAOKU-LVXARBLLSA-N 0 0 478.980 4.198 50 0 biogenic JIAARN CCCCN1CC(=O)N2C[C@H](c3cccc(OC)c3OCC)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012874450 195165146 /nfs/dbraw/zinc/16/51/46/195165146.db2.gz LTJVWCZRCQAUIJ-NGOKVRLYSA-N 0 0 475.589 4.407 50 0 biogenic JIAARN O=C(CN1CCC(C(=O)N2CCCCC2)CC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000012875740 195165921 /nfs/dbraw/zinc/16/59/21/195165921.db2.gz KAQJZZBMHWCHKL-QHCPKHFHSA-N 0 0 483.012 4.335 50 0 JIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)C1 ZINC000012883310 195169730 /nfs/dbraw/zinc/16/97/30/195169730.db2.gz KXBNWHVZUBKLCO-IYBDPMFKSA-N 0 0 454.514 4.302 50 0 JIAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(-c3ccco3)nc3ccccc32)c(=O)[nH]c1=O ZINC000012900105 195176978 /nfs/dbraw/zinc/17/69/78/195176978.db2.gz BDNGTVAEQPAXRK-UHFFFAOYSA-N 0 0 489.576 4.420 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccc(C)cc1 ZINC000012889178 195171853 /nfs/dbraw/zinc/17/18/53/195171853.db2.gz NCPMCRIFFOPTDA-PEGZGNFISA-N 0 0 479.646 4.191 50 0 biogenic JIAARN O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012892205 195173534 /nfs/dbraw/zinc/17/35/34/195173534.db2.gz CSUBQHKDRJQWAD-UHFFFAOYSA-N 0 0 464.012 4.024 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)C(=O)NC1CC1 ZINC000012894895 195174973 /nfs/dbraw/zinc/17/49/73/195174973.db2.gz YFCLQDZVHFOVQY-XATISFHKSA-N 0 0 465.594 4.054 50 0 biogenic JIAARN Cc1sc2nc(CN3CCC(C)CC3)nc(Sc3nnc(CCC(N)=O)n3C3CC3)c2c1C ZINC000012865253 195161327 /nfs/dbraw/zinc/16/13/27/195161327.db2.gz XQYOTAIPKZIAML-UHFFFAOYSA-N 0 0 485.683 4.036 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(CCc3ccccc3)Cc3ccccc3)c2)C[C@@H](C)O1 ZINC000012902117 195177862 /nfs/dbraw/zinc/17/78/62/195177862.db2.gz RQRRAJDUWITDPB-DHIUTWEWSA-N 0 0 492.641 4.370 50 0 JIAARN COc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C/NC[C@@H](c2ccco2)N(C)C)C1=O ZINC000020647150 195195248 /nfs/dbraw/zinc/19/52/48/195195248.db2.gz WCFONJJQPYVTGZ-PHJXOXRPSA-N 0 0 465.937 4.362 50 0 JIAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1)c1c(F)cccc1F ZINC000020614547 195186707 /nfs/dbraw/zinc/18/67/07/195186707.db2.gz VNRJFLHKNBBYQI-JOCHJYFZSA-N 0 0 483.490 4.126 50 0 JIAARN Cn1cc(C(=O)Nc2ccccc2Br)c(C(=O)Nc2ccccc2Br)n1 ZINC000020616586 195188359 /nfs/dbraw/zinc/18/83/59/195188359.db2.gz ZZKBVNRTHRBDQX-UHFFFAOYSA-N 0 0 478.144 4.450 50 0 JIAARN CCOC(=O)c1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000020616935 195188645 /nfs/dbraw/zinc/18/86/45/195188645.db2.gz FUJRDWBREHOIFS-BXVZCJGGSA-N 0 0 487.512 4.299 50 0 JIAARN O=C(CN1CCOCC1)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000020622952 195190643 /nfs/dbraw/zinc/19/06/43/195190643.db2.gz GDPGENMGOBEISM-VWLOTQADSA-N 0 0 481.556 4.142 50 0 JIAARN COc1ccc(-n2ccc3c(nnc4c(-c5ccc(Br)cc5)c(C)nn43)c2=O)cc1 ZINC000020716584 195206464 /nfs/dbraw/zinc/20/64/64/195206464.db2.gz YJHMJNVMSAJYEJ-UHFFFAOYSA-N 0 0 462.307 4.175 50 0 JIAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)N3CCC(Cc4ccccc4)CC3)cc2C[C@H]1C ZINC000020854976 195231886 /nfs/dbraw/zinc/23/18/86/195231886.db2.gz JGFUAKDAIKIPOM-HXUWFJFHSA-N 0 0 482.646 4.019 50 0 JIAARN Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)c(C)n1Cc1cccs1 ZINC000020833662 195229748 /nfs/dbraw/zinc/22/97/48/195229748.db2.gz LCSZYNIFDCWUDY-UHFFFAOYSA-N 0 0 489.391 4.133 50 0 JIAARN Cc1ccc(CNC(=O)C[C@@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020850953 195231241 /nfs/dbraw/zinc/23/12/41/195231241.db2.gz LGRGXEIBPNTEHD-XMMPIXPASA-N 0 0 452.551 4.129 50 0 JIAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(=O)n(-c2ccccc2)n1C ZINC000020853316 195231602 /nfs/dbraw/zinc/23/16/02/195231602.db2.gz RICRRNPYPCSVIS-KRWDZBQOSA-N 0 0 472.545 4.029 50 0 JIAARN Cc1ccc(-c2csc3ncc(C(=O)N4CCN(c5cccc(C)c5C)CC4)c(=O)n23)cc1 ZINC000020768256 195223501 /nfs/dbraw/zinc/22/35/01/195223501.db2.gz ZRNLMSROVYQIOM-UHFFFAOYSA-N 0 0 458.587 4.311 50 0 JIAARN COc1cc(OC)cc(-n2nc(C(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3c2=O)c1 ZINC000020768917 195223505 /nfs/dbraw/zinc/22/35/05/195223505.db2.gz JVYYQHUPJVTWLE-UHFFFAOYSA-N 0 0 465.893 4.317 50 0 JIAARN COc1cc(OC)cc(-n2nc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c3ccccc3c2=O)c1 ZINC000020768937 195223539 /nfs/dbraw/zinc/22/35/39/195223539.db2.gz DOEDAIVJPJTCPM-UHFFFAOYSA-N 0 0 495.919 4.326 50 0 JIAARN CNC(=O)NC(=O)[C@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 ZINC000020895184 195239364 /nfs/dbraw/zinc/23/93/64/195239364.db2.gz IUDOEMDPNNVZHA-AWEZNQCLSA-N 0 0 498.659 4.165 50 0 JIAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)n2)cc1 ZINC000020899985 195241057 /nfs/dbraw/zinc/24/10/57/195241057.db2.gz WWCSPDLBYBTNOB-GOSISDBHSA-N 0 0 454.486 4.404 50 0 JIAARN CCCSCCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000020903134 195242597 /nfs/dbraw/zinc/24/25/97/195242597.db2.gz JLBFJKMCVNDDNB-SANMLTNESA-N 0 0 487.666 4.465 50 0 JIAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020866672 195234452 /nfs/dbraw/zinc/23/44/52/195234452.db2.gz IRLUPHRREDRBDA-UHFFFAOYSA-N 0 0 490.007 4.115 50 0 JIAARN CCOc1ccc(CNC(=O)c2nc(-c3cn(-c4ccc(Br)cc4)nc3C)no2)cc1 ZINC000020946749 195257118 /nfs/dbraw/zinc/25/71/18/195257118.db2.gz CTWAXLFDFLBERF-UHFFFAOYSA-N 0 0 482.338 4.322 50 0 JIAARN CCn1cc2nc(SCC(=O)Nc3ccc(C)c(C)c3)n(Cc3ccc(OC)cc3)c(=O)c2n1 ZINC000020981697 195259030 /nfs/dbraw/zinc/25/90/30/195259030.db2.gz YOYCLQVNLPAEPR-UHFFFAOYSA-N 0 0 477.590 4.017 50 0 JIAARN CCOC(=O)C[C@H]1c2cc(OCC)c(OCC)cc2CCN1CC(=O)Nc1ccccc1C ZINC000020932546 195251735 /nfs/dbraw/zinc/25/17/35/195251735.db2.gz BPMHCAIRYSLERO-QFIPXVFZSA-N 0 0 454.567 4.284 50 0 JIAARN O=C(NCc1ccc(Cl)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21 ZINC000020994974 195263728 /nfs/dbraw/zinc/26/37/28/195263728.db2.gz CSMAMECUZJQCNJ-QFIPXVFZSA-N 0 0 479.989 4.094 50 0 JIAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCCC2)C1 ZINC000020995406 195264201 /nfs/dbraw/zinc/26/42/01/195264201.db2.gz QIBILEITNCOUHJ-JKIKYLSZSA-N 0 0 475.611 4.376 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(C)c(NC(=O)C4=CSCCO4)c3)CC2)c1 ZINC000021019601 195267297 /nfs/dbraw/zinc/26/72/97/195267297.db2.gz JDVABSURAGPHGI-UHFFFAOYSA-N 0 0 451.592 4.118 50 0 JIAARN CC(C)Cc1nn2c(nc(CSCC(=O)Nc3cccc(C(F)(F)F)c3)cc2=O)s1 ZINC000021042141 195270967 /nfs/dbraw/zinc/27/09/67/195270967.db2.gz NYUMKXWEPQHSQA-UHFFFAOYSA-N 0 0 456.515 4.240 50 0 JIAARN Cc1nn(CC(=O)NC2CCCCCC2)c(=O)c2c1nn(-c1ccc(Cl)cc1)c2-n1cccc1 ZINC000021089053 195274045 /nfs/dbraw/zinc/27/40/45/195274045.db2.gz GMLMYLPEVOHRGU-UHFFFAOYSA-N 0 0 478.984 4.174 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)o2)cc1Cl ZINC000021089360 195274466 /nfs/dbraw/zinc/27/44/66/195274466.db2.gz NFOMKKIEYMJBCR-CQSZACIVSA-N 0 0 472.954 4.291 50 0 JIAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000021117389 195279032 /nfs/dbraw/zinc/27/90/32/195279032.db2.gz PUIUOXKJGTXUHB-UHFFFAOYSA-N 0 0 457.499 4.352 50 0 JIAARN O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)Nc1ccc(OC(F)F)cc1 ZINC000021119858 195279628 /nfs/dbraw/zinc/27/96/28/195279628.db2.gz UELVPEDZMRUANJ-UHFFFAOYSA-N 0 0 464.428 4.331 50 0 JIAARN COC(=O)c1sc2cccc(Cl)c2c1NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000021147424 195281596 /nfs/dbraw/zinc/28/15/96/195281596.db2.gz ZRMKUGOQUKUVKY-UHFFFAOYSA-N 0 0 458.344 4.407 50 0 JIAARN CCCCOc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)cc1OC ZINC000021148607 195281901 /nfs/dbraw/zinc/28/19/01/195281901.db2.gz LAWCEPXYQBBJAO-RUZDIDTESA-N 0 0 465.550 4.206 50 0 JIAARN CCc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(OC)cc3)c(=O)c3ccc(C)nc32)c1 ZINC000021151400 195282796 /nfs/dbraw/zinc/28/27/96/195282796.db2.gz GBKVXCQCTJXHSJ-UHFFFAOYSA-N 0 0 455.514 4.146 50 0 JIAARN COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3F)c3nc(C)ccc3c2=O)cc1 ZINC000021151412 195283066 /nfs/dbraw/zinc/28/30/66/195283066.db2.gz VEQZNZKSEXQZTM-UHFFFAOYSA-N 0 0 479.895 4.376 50 0 JIAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N(C)CCc3noc(-c4cccc(C)c4)n3)cc2c1C ZINC000021152239 195283479 /nfs/dbraw/zinc/28/34/79/195283479.db2.gz CIZOLIANWOMHHB-UHFFFAOYSA-N 0 0 483.546 4.140 50 0 JIAARN COc1ccc(C2=NC3(CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)N=C2SC)cc1 ZINC000021154015 195284279 /nfs/dbraw/zinc/28/42/79/195284279.db2.gz IROSQUMPGMYHPF-UHFFFAOYSA-N 0 0 457.621 4.057 50 0 JIAARN CCN(CC)c1ccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)c(C)c1 ZINC000021155882 195284556 /nfs/dbraw/zinc/28/45/56/195284556.db2.gz RZVOKQNGRDHSOY-UHFFFAOYSA-N 0 0 474.671 4.469 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000021156974 195285279 /nfs/dbraw/zinc/28/52/79/195285279.db2.gz OWINHECCOHJJQE-UHFFFAOYSA-N 0 0 472.501 4.403 50 0 JIAARN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)CN3CCN(c4ccccn4)CC3)cc21 ZINC000021167979 195289138 /nfs/dbraw/zinc/28/91/38/195289138.db2.gz HMJOPAPXTUHRFQ-RUZDIDTESA-N 0 0 498.627 4.407 50 0 JIAARN COc1ccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2c[nH]c4ccccc42)n(C)c(=O)n(C)c3=O)cc1 ZINC000021176488 195290333 /nfs/dbraw/zinc/29/03/33/195290333.db2.gz KCQUUOHBGIRUBG-RUZDIDTESA-N 0 0 484.556 4.050 50 0 JIAARN CC(C)C(NC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O)C(C)C ZINC000021176732 195290434 /nfs/dbraw/zinc/29/04/34/195290434.db2.gz ORVFSZHLCYWVEP-UHFFFAOYSA-N 0 0 465.413 4.422 50 0 JIAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000021176800 195290449 /nfs/dbraw/zinc/29/04/49/195290449.db2.gz YZJROPDVTMNJFA-UHFFFAOYSA-N 0 0 489.641 4.390 50 0 JIAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)c(OC)c1OC ZINC000021177381 195290590 /nfs/dbraw/zinc/29/05/90/195290590.db2.gz RKUBVYRKRVPLGA-AWEZNQCLSA-N 0 0 450.520 4.290 50 0 JIAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc(OC)c1OC ZINC000021177434 195290625 /nfs/dbraw/zinc/29/06/25/195290625.db2.gz MJYTWYIOGUMSIR-AWEZNQCLSA-N 0 0 450.520 4.290 50 0 JIAARN Cn1c(SCc2nnc(-c3ccc(Br)o3)o2)nnc1[C@H]1COc2ccccc2O1 ZINC000021179869 195290873 /nfs/dbraw/zinc/29/08/73/195290873.db2.gz NTHONXJSDWXHKY-CYBMUJFWSA-N 0 0 476.312 4.025 50 0 JIAARN COc1ccccc1NC(=O)Cc1noc(COC(=O)c2c3ccccc3nc3c2C[C@@H](C)CC3)n1 ZINC000021234966 195292006 /nfs/dbraw/zinc/29/20/06/195292006.db2.gz ROLMUOWBOHUKEJ-INIZCTEOSA-N 0 0 486.528 4.289 50 0 JIAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc3nsnc32)ccc1OCc1c(C)noc1C ZINC000021247246 195292125 /nfs/dbraw/zinc/29/21/25/195292125.db2.gz ZHWNXLFYRIRGCM-CSKARUKUSA-N 0 0 494.529 4.079 50 0 JIAARN CCOCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(OC)cc2)no1 ZINC000021258807 195292260 /nfs/dbraw/zinc/29/22/60/195292260.db2.gz ZBBIGSRYBMZKJT-UHFFFAOYSA-N 0 0 452.536 4.174 50 0 JIAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2Br)o1)c1ccc2c(c1)OCCO2 ZINC000021328978 195294336 /nfs/dbraw/zinc/29/43/36/195294336.db2.gz FKIRYULPYLSOHF-LBPRGKRZSA-N 0 0 476.352 4.240 50 0 JIAARN Cc1nc2ccn(Cc3ccco3)c(=O)c2cc1C(=O)NCc1ccc(Br)cc1 ZINC000021538668 195312446 /nfs/dbraw/zinc/31/24/46/195312446.db2.gz NUAWCNDVYDLDQO-UHFFFAOYSA-N 0 0 452.308 4.039 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc3ccccc3c2)c2ncnn2[C@@H]1c1ccccc1 ZINC000021350155 195296030 /nfs/dbraw/zinc/29/60/30/195296030.db2.gz OBMGFLRRTXXENB-RUZDIDTESA-N 0 0 467.529 4.317 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2cc(Cl)ccc2C)c2ncnn2[C@@H]1c1ccccc1 ZINC000021349946 195296136 /nfs/dbraw/zinc/29/61/36/195296136.db2.gz RDUXEGZIFJSIKK-JOCHJYFZSA-N 0 0 465.941 4.125 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000021350572 195296281 /nfs/dbraw/zinc/29/62/81/195296281.db2.gz RTMIAUWYNYBFRZ-JOCHJYFZSA-N 0 0 499.493 4.491 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2cc(C)cc(C)c2)c2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000021350882 195296365 /nfs/dbraw/zinc/29/63/65/195296365.db2.gz VIQZQCQVPXBTDA-XMMPIXPASA-N 0 0 459.550 4.089 50 0 JIAARN COc1ccc(-n2cc(C(=O)OCc3ccc(N4CCCC4=O)cc3)c3ccccc3c2=O)cc1 ZINC000021359928 195298964 /nfs/dbraw/zinc/29/89/64/195298964.db2.gz FNDMSDLTFOOUGO-UHFFFAOYSA-N 0 0 468.509 4.483 50 0 JIAARN CC(=O)c1ccc(NC(=O)CSc2nccnc2N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000021363807 195299624 /nfs/dbraw/zinc/29/96/24/195299624.db2.gz ISFBCVWIBVVWFX-UHFFFAOYSA-N 0 0 475.618 4.353 50 0 JIAARN CCc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC000021440158 195301172 /nfs/dbraw/zinc/30/11/72/195301172.db2.gz BLMKWFFORUVLQJ-UHFFFAOYSA-N 0 0 451.592 4.173 50 0 JIAARN COc1ccc([C@@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCc2cccc(F)c2)cc1 ZINC000021531161 195309368 /nfs/dbraw/zinc/30/93/68/195309368.db2.gz YLIPBELJZHWBDX-RUZDIDTESA-N 0 0 457.505 4.188 50 0 JIAARN COc1ccc(OC)c(CNC(=O)CN(C(=O)C2=C(C)OCCS2)c2ccc(Cl)cc2)c1 ZINC000021531129 195309500 /nfs/dbraw/zinc/30/95/00/195309500.db2.gz JLOQNRWZNAKUMN-UHFFFAOYSA-N 0 0 476.982 4.002 50 0 JIAARN O=C(CCC1=NS(=O)(=O)c2ccc(C(F)(F)F)cc2N1)N1CCC(Cc2ccccc2)CC1 ZINC000021531441 195309762 /nfs/dbraw/zinc/30/97/62/195309762.db2.gz RQQAENKLMUBWRB-UHFFFAOYSA-N 0 0 479.524 4.480 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(C)cc3C)n2)ccc1C ZINC000021785589 195321575 /nfs/dbraw/zinc/32/15/75/195321575.db2.gz VJAVUSZTXSMAGI-HXUWFJFHSA-N 0 0 496.633 4.066 50 0 JIAARN CCCn1cnc2nc(COc3cc(NC(=O)c4ccccc4Cl)ccc3C)cc(=O)n21 ZINC000021797204 195322934 /nfs/dbraw/zinc/32/29/34/195322934.db2.gz SNKMKIBPVYWHBJ-UHFFFAOYSA-N 0 0 451.914 4.094 50 0 JIAARN CC[C@H](c1nc2c3c(C)c(C)n(-c4cc(C)ccn4)c3ncn2n1)N1C(=O)c2ccccc2C1=O ZINC000021801636 195323156 /nfs/dbraw/zinc/32/31/56/195323156.db2.gz OXBIAZNCVFGIOK-LJQANCHMSA-N 0 0 465.517 4.136 50 0 JIAARN CCOCCCNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1ccc(CC)cc1 ZINC000021911469 195329914 /nfs/dbraw/zinc/32/99/14/195329914.db2.gz CCRROPPSWLVVMB-DEOSSOPVSA-N 0 0 465.619 4.464 50 0 JIAARN COc1ccccc1CNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1Cc1ccco1 ZINC000021912189 195330449 /nfs/dbraw/zinc/33/04/49/195330449.db2.gz KOIYLOOMJIAZNV-XMMPIXPASA-N 0 0 475.570 4.272 50 0 JIAARN COc1ccc(CN2C(=O)CSc3c(c4ccccc4n3C)[C@H]2C(=O)NCCCOC(C)C)cc1 ZINC000021912475 195330658 /nfs/dbraw/zinc/33/06/58/195330658.db2.gz PVZATUIDIINJIB-VWLOTQADSA-N 0 0 495.645 4.294 50 0 JIAARN COc1cccc(CN2C(=O)CSc3c(c4ccccc4n3C)[C@H]2C(=O)NCCCOC(C)C)c1 ZINC000021912513 195330676 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ZINC000033266550 523955159 /nfs/dbraw/zinc/95/51/59/523955159.db2.gz YCLXEHNWUQJRTE-UHFFFAOYSA-N 0 0 491.617 4.050 50 0 JIAARN COc1ccc(CCNC(=O)C2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c(OC)c1 ZINC000008600067 523956111 /nfs/dbraw/zinc/95/61/11/523956111.db2.gz VXCBDUKATHGDOL-UHFFFAOYSA-N 0 0 488.510 4.241 50 0 JIAARN COc1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 ZINC000009396664 523960170 /nfs/dbraw/zinc/96/01/70/523960170.db2.gz FWMIQOAIVSERPW-UHFFFAOYSA-N 0 0 459.571 4.154 50 0 JIAARN CCc1ccc(N2C(=O)N(CC(=O)NCCCc3ccccc3)c3ccccc3S2(=O)=O)cc1 ZINC000021657812 523962769 /nfs/dbraw/zinc/96/27/69/523962769.db2.gz IBERJYURDYMSTF-UHFFFAOYSA-N 0 0 477.586 4.133 50 0 JIAARN COc1ccc(CCNC(=O)c2cc3c(-c4ccc(OC)c(OC)c4)nn(C)c3s2)cc1OC ZINC000008596291 523969595 /nfs/dbraw/zinc/96/95/95/523969595.db2.gz NYICXPZOKDOTAL-UHFFFAOYSA-N 0 0 481.574 4.309 50 0 JIAARN COc1ccc(CCNC(=O)c2cccc(-n3nc(-c4nnc(C)o4)cc3CC(C)C)c2)cc1 ZINC000023459552 523970030 /nfs/dbraw/zinc/97/00/30/523970030.db2.gz 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JIAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3cc(C)n(Cc4ccccc4)c3C)C2=O)cc1 ZINC000021719956 523981834 /nfs/dbraw/zinc/98/18/34/523981834.db2.gz CECXCBKNLJCTFV-MUUNZHRXSA-N 0 0 473.573 4.288 50 0 JIAARN COc1ccc(CCn2c(C)cc(C(=O)COC(=O)CCS(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000009670432 523986339 /nfs/dbraw/zinc/98/63/39/523986339.db2.gz XXBRCTPYSPKULM-UHFFFAOYSA-N 0 0 497.613 4.255 50 0 JIAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)c2ccccc2F)CC1 ZINC000036210070 523987273 /nfs/dbraw/zinc/98/72/73/523987273.db2.gz JROHLCIMGDCMLT-AOMKIAJQSA-N 0 0 473.976 4.045 50 0 JIAARN CCc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cc(C)ccc3O2)cc1 ZINC000064985860 523988964 /nfs/dbraw/zinc/98/89/64/523988964.db2.gz CDLIHEIQRRYVKG-DEOSSOPVSA-N 0 0 450.560 4.461 50 0 JIAARN COc1ccc(CN(C)C(=O)CSc2nc3sc(-c4ccccc4)cc3c(=O)n2C)cc1OC ZINC000022575128 523995465 /nfs/dbraw/zinc/99/54/65/523995465.db2.gz DFECJBFMPDJOTL-UHFFFAOYSA-N 0 0 495.626 4.430 50 0 JIAARN CCc1ccc(Oc2cc(N3CCC(C(=O)NCc4cc(OC)ccc4OC)CC3)ncn2)cc1 ZINC000033311986 524008857 /nfs/dbraw/zinc/00/88/57/524008857.db2.gz DZLIOZGWNSGDPG-UHFFFAOYSA-N 0 0 476.577 4.381 50 0 JIAARN COc1ccc(CN2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021851999 524021171 /nfs/dbraw/zinc/02/11/71/524021171.db2.gz YXKJEXGGZCKHQC-SANMLTNESA-N 0 0 452.599 4.053 50 0 JIAARN COc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1OC ZINC000021858165 524021207 /nfs/dbraw/zinc/02/12/07/524021207.db2.gz HXQFXOSXMYMVJT-LJAQVGFWSA-N 0 0 483.568 4.390 50 0 JIAARN COc1ccc(CN2C(=O)c3cc4c(c(OC)ccc4OC)n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021857697 524021341 /nfs/dbraw/zinc/02/13/41/524021341.db2.gz GQEBFYGFWKVPNN-NDEPHWFRSA-N 0 0 491.588 4.141 50 0 JIAARN CO[C@H]1[C@H](NC(=O)c2ccncc2)c2ccccc2C12CCN(C(=O)CCc1ccccc1)CC2 ZINC000014888378 524022688 /nfs/dbraw/zinc/02/26/88/524022688.db2.gz NXBMSGXZKWEQSP-SXOMAYOGSA-N 0 0 469.585 4.074 50 0 JIAARN CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](N1CCOc3ccc(Cl)cc3C1)CC2 ZINC000014733747 524032236 /nfs/dbraw/zinc/03/22/36/524032236.db2.gz IMVVMEVNQORJMA-NRFANRHFSA-N 0 0 464.997 4.039 50 0 JIAARN COc1ccc(CN2c3ccccc3S(=O)(=O)N(c3ccc(OC)c(OC)c3)C2=O)cc1F ZINC000021658297 524043320 /nfs/dbraw/zinc/04/33/20/524043320.db2.gz NXSMFCBZCVNNLA-UHFFFAOYSA-N 0 0 472.494 4.187 50 0 JIAARN COc1ccc(CNC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1OC ZINC000008609087 524055398 /nfs/dbraw/zinc/05/53/98/524055398.db2.gz NGAFVHHCTOBADR-UHFFFAOYSA-N 0 0 463.921 4.051 50 0 JIAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[nH]3)C2)cc1 ZINC000049421148 524062654 /nfs/dbraw/zinc/06/26/54/524062654.db2.gz UZFLVCUWWXXNEY-LJQANCHMSA-N 0 0 474.586 4.193 50 0 JIAARN CCc1cccc(C)c1NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000008598822 524065466 /nfs/dbraw/zinc/06/54/66/524065466.db2.gz BUOAAXIOQQXYJF-VWLOTQADSA-N 0 0 477.586 4.100 50 0 JIAARN Cc1ccc2oc(-c3cc(NC(=O)c4nc(-n5cnnc5)ccc4Br)ccc3O)nc2c1 ZINC000021721215 524086192 /nfs/dbraw/zinc/08/61/92/524086192.db2.gz QXUWTGQKENSNOU-UHFFFAOYSA-N 0 0 491.305 4.499 50 0 JIAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)c(Cl)c1)N(CCN1CCOCC1)C3=O ZINC000020363422 524098526 /nfs/dbraw/zinc/09/85/26/524098526.db2.gz MGALDNNQRFQKAC-OAQYLSRUSA-N 0 0 473.356 4.286 50 0 JIAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054403 524120327 /nfs/dbraw/zinc/12/03/27/524120327.db2.gz WFNNIDDGSDRQDS-BJKOFHAPSA-N 0 0 476.548 4.324 50 0 JIAARN Cc1cccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(F)c(C(F)(F)F)c4)n3n2)c1 ZINC000008601467 524120399 /nfs/dbraw/zinc/12/03/99/524120399.db2.gz AOJWDPXXBZERDG-UHFFFAOYSA-N 0 0 484.500 4.445 50 0 JIAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054364 524121327 /nfs/dbraw/zinc/12/13/27/524121327.db2.gz MXGDNLJRUJHRKU-XZOQPEGZSA-N 0 0 480.511 4.154 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CCCCC5)CC2)c1 ZINC000021882528 524121619 /nfs/dbraw/zinc/12/16/19/524121619.db2.gz GFBXLNNCVKZZQD-UHFFFAOYSA-N 0 0 464.635 4.152 50 0 JIAARN COc1cccc([C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054412 524122374 /nfs/dbraw/zinc/12/23/74/524122374.db2.gz ACJUNGGWXXCIKI-FCHUYYIVSA-N 0 0 480.511 4.154 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)c3cc4c(ccn(Cc5ccccc5)c4=O)nc3C)CC2)c1 ZINC000008605776 524124280 /nfs/dbraw/zinc/12/42/80/524124280.db2.gz IWDBOITYOZDJFS-UHFFFAOYSA-N 0 0 466.585 4.332 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4C)o3)CC2)c1 ZINC000004057694 524125994 /nfs/dbraw/zinc/12/59/94/524125994.db2.gz UYFFBNARAWZARA-UHFFFAOYSA-N 0 0 452.576 4.141 50 0 JIAARN Cc1cccc(-c2noc(-c3cn(CC(=O)NCc4cccs4)c4nc(C)ccc4c3=O)n2)c1 ZINC000033140876 524129140 /nfs/dbraw/zinc/12/91/40/524129140.db2.gz SOYQCZFLIQUCEG-UHFFFAOYSA-N 0 0 471.542 4.108 50 0 JIAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(C[C@H]2CCCO2)C(=O)Cc2ccccc2)c1 ZINC000036314359 524133022 /nfs/dbraw/zinc/13/30/22/524133022.db2.gz OBKXFBMFBDWFOB-XMMPIXPASA-N 0 0 475.589 4.237 50 0 JIAARN Cc1ccc(C)c(NC(=O)CCc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)no2)c1 ZINC000033276884 524134976 /nfs/dbraw/zinc/13/49/76/524134976.db2.gz CFMRJBSNIBDWRF-UHFFFAOYSA-N 0 0 468.579 4.099 50 0 JIAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCC(C)CC4)CC(=O)N23)c1 ZINC000002100763 524136287 /nfs/dbraw/zinc/13/62/87/524136287.db2.gz AGMRYLZCJAJOQF-OVUCJDPKSA-N 0 0 457.574 4.440 50 0 biogenic JIAARN Cc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCc3cccs3)C2)c1 ZINC000033302557 524138300 /nfs/dbraw/zinc/13/83/00/524138300.db2.gz CRMSNZXJXULHMQ-KRWDZBQOSA-N 0 0 464.616 4.350 50 0 JIAARN Cc1ccc(C)c(NC(=O)Cn2c(=O)cc(-c3nc(-c4cccnc4)no3)c3ccccc32)c1 ZINC000067318346 524138980 /nfs/dbraw/zinc/13/89/80/524138980.db2.gz BWNDKVNPQJWYCL-UHFFFAOYSA-N 0 0 451.486 4.369 50 0 JIAARN COc1ccc(C[C@@H](NC(=O)CNC(=O)c2ccc(Br)cc2)c2ccc(OC)cc2)cc1 ZINC000014233036 524140400 /nfs/dbraw/zinc/14/04/00/524140400.db2.gz KIKDOZGLAWDAGB-HSZRJFAPSA-N 0 0 497.389 4.296 50 0 JIAARN COc1cccc([C@H](C)N(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c2cnn(C)c2)c1 ZINC000048311941 524147275 /nfs/dbraw/zinc/14/72/75/524147275.db2.gz FUIJGSMZWYUAOU-FQEVSTJZSA-N 0 0 496.633 4.401 50 0 JIAARN COc1ccc(Cc2cc(C(F)(F)F)c3c(N)c(C(=O)NC4CC4)sc3n2)cc1OC ZINC000008783443 524162024 /nfs/dbraw/zinc/16/20/24/524162024.db2.gz YMXPIZZXRYSSLZ-UHFFFAOYSA-N 0 0 451.470 4.398 50 0 JIAARN COc1ccc(Cl)c(-c2noc3ncn(CCC(=O)NC[C@H](C)c4ccccc4)c(=O)c32)c1 ZINC000033250039 524172229 /nfs/dbraw/zinc/17/22/29/524172229.db2.gz HGKHRSPVLAVZER-HNNXBMFYSA-N 0 0 466.925 4.024 50 0 JIAARN COc1cccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054365 524180911 /nfs/dbraw/zinc/18/09/11/524180911.db2.gz MXGDNLJRUJHRKU-DHIUTWEWSA-N 0 0 480.511 4.154 50 0 JIAARN Cc1cccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4ccc(F)c(Cl)c4)ccc32)c1 ZINC000008599564 524184338 /nfs/dbraw/zinc/18/43/38/524184338.db2.gz MIMBDSGPRCRWLI-UHFFFAOYSA-N 0 0 458.942 4.469 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccccc3F)s2)c1 ZINC000064941761 524188144 /nfs/dbraw/zinc/18/81/44/524188144.db2.gz SZTPLOHPJAMTRK-KRWDZBQOSA-N 0 0 460.556 4.072 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)c1 ZINC000046124042 524188547 /nfs/dbraw/zinc/18/85/47/524188547.db2.gz MUNFROIKDLFFEH-SFHVURJKSA-N 0 0 470.620 4.284 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccc(F)cc4F)s3)CC2)c1 ZINC000033273321 524189125 /nfs/dbraw/zinc/18/91/25/524189125.db2.gz XXNDBGVHUZCOQX-UHFFFAOYSA-N 0 0 492.573 4.254 50 0 JIAARN Cc1cccc(C(=O)N[C@H](C(=O)N[C@@H](C)C(C)C)C2CCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000036212144 524207541 /nfs/dbraw/zinc/20/75/41/524207541.db2.gz QXIARTDXJAJNQB-CUNXSJBXSA-N 0 0 477.649 4.126 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3CCN(C/C=C/c4ccccc4)CC3)[C@H](c3ccco3)C2)o1 ZINC000022787089 524233551 /nfs/dbraw/zinc/23/35/51/524233551.db2.gz ULRDEPPSHCJWIY-LUAJHVPRSA-N 0 0 458.562 4.190 50 0 JIAARN COc1ccc(Cn2c(CNS(=O)(=O)c3ccc(CC(C)C)cc3)nc3cccnc32)cc1 ZINC000047146286 524257773 /nfs/dbraw/zinc/25/77/73/524257773.db2.gz TUELOKSDITXTNW-UHFFFAOYSA-N 0 0 464.591 4.165 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)CC1 ZINC000022792282 524276536 /nfs/dbraw/zinc/27/65/36/524276536.db2.gz NPGQUHPYSGDNIM-DEOSSOPVSA-N 0 0 484.644 4.404 50 0 JIAARN COc1ccccc1-c1csc2[nH]c(CN(CCC(C)C)C[C@@H](O)COC(C)C)nc(=O)c12 ZINC000036206593 524276976 /nfs/dbraw/zinc/27/69/76/524276976.db2.gz VEPULTYLPYJJQP-GOSISDBHSA-N 0 0 473.639 4.294 50 0 JIAARN Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000033252029 524295608 /nfs/dbraw/zinc/29/56/08/524295608.db2.gz UULSWWRDMHBKFS-SFHVURJKSA-N 0 0 451.386 4.248 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)c(C)c1 ZINC000002846384 524315467 /nfs/dbraw/zinc/31/54/67/524315467.db2.gz BYUDNESYYZREHM-UHFFFAOYSA-N 0 0 468.663 4.494 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCc3csc(-c4ccccc4)n3)CC2)c(C)c1 ZINC000033140261 524316594 /nfs/dbraw/zinc/31/65/94/524316594.db2.gz IANBJOZDIZYFCF-UHFFFAOYSA-N 0 0 497.686 4.495 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N(C)Cc3nc4ccccc4s3)CC2)c(C)c1 ZINC000017811083 524316810 /nfs/dbraw/zinc/31/68/10/524316810.db2.gz QVFFZAGULYWXIH-UHFFFAOYSA-N 0 0 471.648 4.281 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(C(F)(F)F)c2)CC3)c(C)c1 ZINC000016994220 524320630 /nfs/dbraw/zinc/32/06/30/524320630.db2.gz GVPGHPPICVQJHW-UHFFFAOYSA-N 0 0 496.551 4.284 50 0 JIAARN COc1ccccc1C(=O)N(Cc1cc2c(OC)ccc(OC)c2nc1N(C)C)C[C@H]1CCCO1 ZINC000014981871 524340091 /nfs/dbraw/zinc/34/00/91/524340091.db2.gz LVFCWGNVTYANHC-LJQANCHMSA-N 0 0 479.577 4.148 50 0 JIAARN COc1ccccc1C(=O)N1CCC([C@@H](NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)CC1 ZINC000036209822 524341194 /nfs/dbraw/zinc/34/11/94/524341194.db2.gz IKKOTWVRHLFJTG-XMMPIXPASA-N 0 0 498.023 4.012 50 0 JIAARN COc1ccc(N2C(=O)CSc3c(c(C)nn3-c3ccccc3)[C@H]2C(=O)NC2CCCC2)cc1 ZINC000033265453 524389982 /nfs/dbraw/zinc/38/99/82/524389982.db2.gz GHFFJZCMIMHMNW-DEOSSOPVSA-N 0 0 476.602 4.428 50 0 JIAARN COc1ccccc1CCNC(=O)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000008600080 524411639 /nfs/dbraw/zinc/41/16/39/524411639.db2.gz QWWVFYULGUWLJH-UHFFFAOYSA-N 0 0 458.484 4.233 50 0 JIAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2N)c1 ZINC000009487626 524420975 /nfs/dbraw/zinc/42/09/75/524420975.db2.gz BIWZVKBELLZQLO-UHFFFAOYSA-N 0 0 453.959 4.050 50 0 JIAARN Cc1ccc(CN(Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000036068424 524421430 /nfs/dbraw/zinc/42/14/30/524421430.db2.gz WROMFBIPBTXVPP-QFIPXVFZSA-N 0 0 477.561 4.131 50 0 JIAARN Cc1cc(C)cc(NC(=O)CSc2ccc(N3CCC(C(=O)N4CCCCC4)CC3)nn2)c1 ZINC000035455718 524421438 /nfs/dbraw/zinc/42/14/38/524421438.db2.gz CENZVOIEHJDEGQ-UHFFFAOYSA-N 0 0 467.639 4.053 50 0 JIAARN Cc1cccc(CNC(=O)c2coc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)c1 ZINC000034684404 524429713 /nfs/dbraw/zinc/42/97/13/524429713.db2.gz SBTZDVDGCMQKJD-UHFFFAOYSA-N 0 0 458.484 4.254 50 0 JIAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)N[C@H]1CCCc2ccccc21 ZINC000035212025 524432011 /nfs/dbraw/zinc/43/20/11/524432011.db2.gz UGAIRSYBKBEDQN-ZRBLBEILSA-N 0 0 466.603 4.026 50 0 JIAARN COc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021859480 524444478 /nfs/dbraw/zinc/44/44/78/524444478.db2.gz NYUGZUDZSSRYNH-MUUNZHRXSA-N 0 0 453.542 4.381 50 0 JIAARN COc1ccccc1CN1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021851020 524444500 /nfs/dbraw/zinc/44/45/00/524444500.db2.gz YROJKBKIUSHWTE-AREMUKBSSA-N 0 0 462.550 4.015 50 0 JIAARN COc1ccccc1CN1CCc2nc(SCC(=O)Nc3c(C)cccc3C)[nH]c(=O)c2C1 ZINC000020467761 524455396 /nfs/dbraw/zinc/45/53/96/524455396.db2.gz IONQRNZYPLCJME-UHFFFAOYSA-N 0 0 464.591 4.097 50 0 JIAARN Cc1cc(C)cc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)c1 ZINC000046124152 524457635 /nfs/dbraw/zinc/45/76/35/524457635.db2.gz XWWGWVMMOOOSHJ-GOSISDBHSA-N 0 0 470.620 4.284 50 0 JIAARN 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Cc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Br)c(C)c1 ZINC000008916541 525257818 /nfs/dbraw/zinc/25/78/18/525257818.db2.gz AWFHPNHIMKLJJG-UHFFFAOYSA-N 0 0 478.343 4.221 50 0 JIAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(S(=O)(=O)c4ccc(C)cc4C)C3)s2)cc1 ZINC000046124245 525263314 /nfs/dbraw/zinc/26/33/14/525263314.db2.gz KNVVIZPXGVDCHR-GOSISDBHSA-N 0 0 470.620 4.284 50 0 JIAARN Cc1ccccc1NC(=O)c1nnc([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)s1 ZINC000046124056 525266460 /nfs/dbraw/zinc/26/64/60/525266460.db2.gz JFIZUSVRPVGXHM-AWEZNQCLSA-N 0 0 495.001 4.460 50 0 JIAARN COc1ccc([C@@H]2[C@H](C(=O)N(C)Cc3ccccc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020112810 525273560 /nfs/dbraw/zinc/27/35/60/525273560.db2.gz POHPODDSRXZNNC-CLJLJLNGSA-N 0 0 474.557 4.282 50 0 JIAARN C[C@H](NC(=O)c1nn(CCO)c2c1CN(Cc1cnc(-c3ccccc3)s1)CC2)c1ccccc1 ZINC000014748979 525273693 /nfs/dbraw/zinc/27/36/93/525273693.db2.gz RMHXWUBADHWAGX-IBGZPJMESA-N 0 0 487.629 4.048 50 0 JIAARN COc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002410747 525279741 /nfs/dbraw/zinc/27/97/41/525279741.db2.gz XZWCBPKCGOACNU-OXJNMPFZSA-N 0 0 470.319 4.288 50 0 JIAARN C[C@@H](NC(=O)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)c1)c1ccc(F)cc1 ZINC000035458748 525342487 /nfs/dbraw/zinc/34/24/87/525342487.db2.gz GRJHXYMOKIAELB-IQGLISFBSA-N 0 0 471.532 4.468 50 0 JIAARN C[C@@H](NC(=O)c1coc(CN(CCN2CCOCC2)Cc2cccc(Cl)c2)n1)c1ccccc1 ZINC000036073051 525377015 /nfs/dbraw/zinc/37/70/15/525377015.db2.gz JVSKPWVTDNHFDM-HXUWFJFHSA-N 0 0 483.012 4.153 50 0 JIAARN Cc1nc(SCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)[nH]c1Cc1ccccc1 ZINC000012506933 525412087 /nfs/dbraw/zinc/41/20/87/525412087.db2.gz DOZWTCDPUSAJQR-UHFFFAOYSA-N 0 0 492.601 4.007 50 0 JIAARN COc1ccc([C@H]2[C@H](C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3C(=O)N2C)cc1OC ZINC000040313385 525436976 /nfs/dbraw/zinc/43/69/76/525436976.db2.gz LFOKZWQYEPIHAH-SXOMAYOGSA-N 0 0 483.568 4.455 50 0 biogenic JIAARN Cc1cccn2c(=O)cc(CSc3nnc(-c4ccc5c(c4)OCO5)n3-c3ccccc3)nc12 ZINC000009962697 525462629 /nfs/dbraw/zinc/46/26/29/525462629.db2.gz CUXNXAXFLCYSRD-UHFFFAOYSA-N 0 0 469.526 4.272 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)c2cccc(C)c2C)cc1 ZINC000016213857 525503922 /nfs/dbraw/zinc/50/39/22/525503922.db2.gz CGPHMYNKSFMJEJ-UHFFFAOYSA-N 0 0 477.630 4.156 50 0 JIAARN COc1ccc2c(c1)C(N1CCN(S(=O)(=O)Cc3ccccc3)CC1)=Nc1ccc(C)cc1O2 ZINC000034814699 525508631 /nfs/dbraw/zinc/50/86/31/525508631.db2.gz CZWRPBNWRBLGLD-UHFFFAOYSA-N 0 0 477.586 4.335 50 0 JIAARN Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(CC(=O)NCCC(C)C)c(=O)c12 ZINC000085942104 525511549 /nfs/dbraw/zinc/51/15/49/525511549.db2.gz DRDDBWQHNCKCRT-UHFFFAOYSA-N 0 0 471.970 4.299 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3csc(-c4ccccc4)n3)CC2)cc1C ZINC000033140273 525518978 /nfs/dbraw/zinc/51/89/78/525518978.db2.gz UNEJHCHVDTWCCF-UHFFFAOYSA-N 0 0 483.659 4.187 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1ccc2ccccc2n1 ZINC000008746796 525526956 /nfs/dbraw/zinc/52/69/56/525526956.db2.gz WOROMZREZURZHI-UHFFFAOYSA-N 0 0 455.605 4.449 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)cc1C ZINC000064941337 525533994 /nfs/dbraw/zinc/53/39/94/525533994.db2.gz MMCQAFQMHOUDRW-GOSISDBHSA-N 0 0 478.546 4.211 50 0 JIAARN CSCC[C@@H](NC(=O)c1nc(SC)ncc1Cl)C(=O)Nc1ccc(Br)cc1 ZINC000041156898 525553372 /nfs/dbraw/zinc/55/33/72/525553372.db2.gz QPIFPLBPIRTQFS-CYBMUJFWSA-N 0 0 489.848 4.105 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ncoc4-c4ccccc4)sc3C2)cc1 ZINC000021654658 525554381 /nfs/dbraw/zinc/55/43/81/525554381.db2.gz HLGYKUANOOGNDE-UHFFFAOYSA-N 0 0 480.571 4.106 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3Cl)Oc3ccc(C)cc32)cc1 ZINC000064985916 525555044 /nfs/dbraw/zinc/55/50/44/525555044.db2.gz VXFDQOKJSRAIGF-QHCPKHFHSA-N 0 0 470.978 4.230 50 0 JIAARN CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000033496966 525555081 /nfs/dbraw/zinc/55/50/81/525555081.db2.gz LJSHFILINIQLGD-ACQXMXPUSA-N 0 0 487.474 4.364 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(F)c(F)c3)Oc3cc(C)ccc32)cc1 ZINC000064986071 525555854 /nfs/dbraw/zinc/55/58/54/525555854.db2.gz UYGNKCXVZRMHJE-QFIPXVFZSA-N 0 0 458.486 4.177 50 0 JIAARN Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000020441567 525576068 /nfs/dbraw/zinc/57/60/68/525576068.db2.gz ZGEXUQMHNCOYLW-HHHXNRCGSA-N 0 0 463.647 4.454 50 0 JIAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000040062929 525593476 /nfs/dbraw/zinc/59/34/76/525593476.db2.gz JYDDDZHNYPKXKZ-RXVVDRJESA-N 0 0 462.999 4.388 50 0 JIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1cccc(OC)c1)C(=O)N2Cc1ccc(F)cc1 ZINC000036165992 525595592 /nfs/dbraw/zinc/59/55/92/525595592.db2.gz XVDHEVYKMBBMFZ-SANMLTNESA-N 0 0 478.545 4.432 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H](C(=O)NC4CCCCC4)C3)cc2)cc1 ZINC000021707023 525596223 /nfs/dbraw/zinc/59/62/23/525596223.db2.gz OUPUMSAHXDECMX-OAQYLSRUSA-N 0 0 483.634 4.097 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](c3nccn3C)c3ccc(F)cc3)c2)cc1F ZINC000014404790 525612618 /nfs/dbraw/zinc/61/26/18/525612618.db2.gz PDKUXYSFDLFQAN-QHCPKHFHSA-N 0 0 496.539 4.327 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCN(Cc3nc4ccccc4n3C)CC2)cc1 ZINC000020368340 525619290 /nfs/dbraw/zinc/61/92/90/525619290.db2.gz TXADUGQYETXQRK-UHFFFAOYSA-N 0 0 475.618 4.005 50 0 JIAARN Cc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000046842856 525627721 /nfs/dbraw/zinc/62/77/21/525627721.db2.gz KZQXKGVCWUQAPZ-HZPDHXFCSA-N 0 0 473.499 4.138 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000044974776 525634546 /nfs/dbraw/zinc/63/45/46/525634546.db2.gz DVKRQSGZUMGPRX-UHFFFAOYSA-N 0 0 495.532 4.177 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCC1)N(c1ccc(OC)cc1OC)C3=O ZINC000021857347 525643586 /nfs/dbraw/zinc/64/35/86/525643586.db2.gz CWZOQQHBQPNMQZ-MHZLTWQESA-N 0 0 477.561 4.145 50 0 JIAARN Cc1c(C(=O)N[C@H](C)c2ccccc2)sc2ncnc(N3CCN(c4ccccn4)CC3)c12 ZINC000002911769 525644597 /nfs/dbraw/zinc/64/45/97/525644597.db2.gz USTAVKGVLXZLBZ-GOSISDBHSA-N 0 0 458.591 4.212 50 0 JIAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(OC)c(OC)c3OC)sc2c1 ZINC000033088231 525656969 /nfs/dbraw/zinc/65/69/69/525656969.db2.gz IEPFDFJGFWKYJN-HNNXBMFYSA-N 0 0 480.546 4.299 50 0 JIAARN Cc1c(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cnn1-c1ccccc1F ZINC000036806528 525663922 /nfs/dbraw/zinc/66/39/22/525663922.db2.gz CRFRKTUZYMUUML-UHFFFAOYSA-N 0 0 471.539 4.067 50 0 JIAARN Cc1cc2nc(COC(=O)c3ccccc3NC(=O)c3cccc4ccccc43)cc(=O)n2o1 ZINC000015772354 525672966 /nfs/dbraw/zinc/67/29/66/525672966.db2.gz BWBRBEHNEDCDTC-UHFFFAOYSA-N 0 0 453.454 4.358 50 0 JIAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4cccc(C(F)(F)F)c4)nc23)c(C)c1 ZINC000065151018 525674193 /nfs/dbraw/zinc/67/41/93/525674193.db2.gz JLMWIXZCTLBVRL-UHFFFAOYSA-N 0 0 473.480 4.317 50 0 JIAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc(Br)c1)N(CCCO)C3=O ZINC000016752462 525691659 /nfs/dbraw/zinc/69/16/59/525691659.db2.gz BTBQIDZUEVYKIV-GOSISDBHSA-N 0 0 462.727 4.445 50 0 JIAARN COc1cccc(-c2cc(N3CCN(C(=O)Nc4cc(Cl)c(OC)cc4OC)CC3)ncn2)c1 ZINC000065007703 525704340 /nfs/dbraw/zinc/70/43/40/525704340.db2.gz MPBZXZYEBCPCQS-UHFFFAOYSA-N 0 0 483.956 4.177 50 0 JIAARN COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)Cc2cc(OC)c(OC)c(OC)c2)C3)c1 ZINC000014995294 525710681 /nfs/dbraw/zinc/71/06/81/525710681.db2.gz OAXOFQNMBVMJMH-UHFFFAOYSA-N 0 0 493.556 4.360 50 0 JIAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)c(C)o2)c1 ZINC000020241992 525725395 /nfs/dbraw/zinc/72/53/95/525725395.db2.gz VWCPMFPJQBFGAV-ZFGQVMFLSA-N 0 0 486.634 4.295 50 0 JIAARN COc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc(Br)cc2)c1 ZINC000027527453 525728423 /nfs/dbraw/zinc/72/84/23/525728423.db2.gz AKUHDYNBCVTRER-UHFFFAOYSA-N 0 0 450.292 4.219 50 0 JIAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC(c2nnc(C(=O)Nc3cccc(F)c3)s2)CC1 ZINC000033114160 525782715 /nfs/dbraw/zinc/78/27/15/525782715.db2.gz QTFZYSHWNOABKO-UHFFFAOYSA-N 0 0 495.001 4.460 50 0 JIAARN Cc1ccc(-c2csc3c2nc(SCC(=O)Nc2ccc4c(c2)OCCO4)n(C)c3=O)cc1 ZINC000033262626 525785781 /nfs/dbraw/zinc/78/57/81/525785781.db2.gz PUHBRMZAXRLXDA-UHFFFAOYSA-N 0 0 479.583 4.472 50 0 JIAARN Cc1ccc(-c2nc(SCc3noc(CCC(=O)Nc4cc(F)cc(F)c4)n3)n[nH]2)cc1 ZINC000033270932 525790240 /nfs/dbraw/zinc/79/02/40/525790240.db2.gz OVSHDAIJXCBDPD-UHFFFAOYSA-N 0 0 456.478 4.305 50 0 JIAARN COc1cccc(C(=O)N2CCN(c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cn3)CC2)c1 ZINC000034667593 525804058 /nfs/dbraw/zinc/80/40/58/525804058.db2.gz QIXLAEQPMZDDJB-UHFFFAOYSA-N 0 0 474.605 4.208 50 0 JIAARN COc1cccc(C(=O)N2C[C@@H](c3cccc(OC)c3OC)[C@H](C(=O)NCc3ccc(F)cc3)C2)c1 ZINC000036054423 525809512 /nfs/dbraw/zinc/80/95/12/525809512.db2.gz CABAPKMOMJRZPL-BJKOFHAPSA-N 0 0 492.547 4.024 50 0 JIAARN COc1cccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4c(n3)sc3c4CCCC3)c2)c1 ZINC000008607686 525834161 /nfs/dbraw/zinc/83/41/61/525834161.db2.gz SQLFIYPXKVSPRJ-UHFFFAOYSA-N 0 0 489.553 4.253 50 0 JIAARN COc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3c(ncn3CC(C)C)n2)c1 ZINC000021797568 525836158 /nfs/dbraw/zinc/83/61/58/525836158.db2.gz RWVGVMKRSKDBNR-UHFFFAOYSA-N 0 0 463.563 4.100 50 0 JIAARN Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000044803287 525841005 /nfs/dbraw/zinc/84/10/05/525841005.db2.gz ZFXRMJZHYCUVOZ-UHFFFAOYSA-N 0 0 461.946 4.228 50 0 JIAARN C[C@H](O)c1cc2c(cc1NC(=O)c1cnn3c1N[C@H](c1ccco1)C[C@@H]3C(F)(F)F)OCO2 ZINC000012468310 525851919 /nfs/dbraw/zinc/85/19/19/525851919.db2.gz PUIFCMSZCUVAIO-MWJQBAMBSA-N 0 0 464.400 4.171 50 0 JIAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc3c4ccccc4n(C)c3s2)c(=O)n(-c2ccccc2)n1C ZINC000002644624 525853471 /nfs/dbraw/zinc/85/34/71/525853471.db2.gz SMXDYHNHMSPPHN-MRXNPFEDSA-N 0 0 488.569 4.375 50 0 JIAARN COc1cccc(CC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)c1 ZINC000046122732 525868696 /nfs/dbraw/zinc/86/86/96/525868696.db2.gz BQNLAUHIPPAZOB-INIZCTEOSA-N 0 0 470.982 4.401 50 0 JIAARN Cc1ccc(-c2noc(-c3cn(CC(=O)NCc4ccc(F)cc4)c4nc(C)ccc4c3=O)n2)cc1 ZINC000021655348 525871456 /nfs/dbraw/zinc/87/14/56/525871456.db2.gz MIKAJTNLFUGQEG-UHFFFAOYSA-N 0 0 483.503 4.186 50 0 JIAARN Cc1ccc(-c2noc([C@@H](C)N3CCN([C@@H](C)C(=O)Nc4ccc(OC(F)F)cc4)CC3)n2)cc1 ZINC000026599569 525883299 /nfs/dbraw/zinc/88/32/99/525883299.db2.gz FCEBYOJHXVSTAQ-ZWKOTPCHSA-N 0 0 485.535 4.352 50 0 JIAARN Cc1c(S(=O)(=O)NC[C@H]2CCCO2)cc(-c2nc(-c3cccc(Cl)c3)cs2)n1C ZINC000065008917 525885326 /nfs/dbraw/zinc/88/53/26/525885326.db2.gz IBAVSTPWOYFMGC-MRXNPFEDSA-N 0 0 452.001 4.235 50 0 JIAARN Cc1ccc(-n2c(=O)c3c(c4cc(C)ccc4n3C)n(CC(=O)NCCC3=CCCCC3)c2=O)cc1 ZINC000008591468 525891559 /nfs/dbraw/zinc/89/15/59/525891559.db2.gz IMOLUXDGVPXNJS-UHFFFAOYSA-N 0 0 484.600 4.268 50 0 JIAARN COc1cccc(CCN2C(=O)c3cccc(N4CCC[C@@H](C(=O)N5CCC[C@H](C)C5)C4)c3C2=O)c1 ZINC000039500567 525893386 /nfs/dbraw/zinc/89/33/86/525893386.db2.gz ZSBKVMKMDDIVHE-RBBKRZOGSA-N 0 0 489.616 4.009 50 0 JIAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)NCc3ccccc3F)CC2)cc1 ZINC000033302312 525895982 /nfs/dbraw/zinc/89/59/82/525895982.db2.gz ANLCMCVUKBCACJ-UHFFFAOYSA-N 0 0 476.577 4.428 50 0 JIAARN C[C@@]1(c2ccccc2Br)NC(=O)N(CC(=O)N[C@H](c2cccs2)c2ccccc2)C1=O ZINC000008941780 525903592 /nfs/dbraw/zinc/90/35/92/525903592.db2.gz VIDCJRDUQOLFDC-REWPJTCUSA-N 0 0 498.402 4.183 50 0 JIAARN Cc1ccc(-n2cc3c(n2)ncnc3N2CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000033273718 525910085 /nfs/dbraw/zinc/91/00/85/525910085.db2.gz IAEZTQJJLUYUGQ-UHFFFAOYSA-N 0 0 484.604 4.444 50 0 JIAARN Cc1ccc(-n2ccn3c(SCC(=O)c4ccc(Br)cc4)nnc3c2=O)cc1C ZINC000046047409 525914289 /nfs/dbraw/zinc/91/42/89/525914289.db2.gz RWUIHLGPXCLSGL-UHFFFAOYSA-N 0 0 469.364 4.235 50 0 JIAARN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000013389099 525921490 /nfs/dbraw/zinc/92/14/90/525921490.db2.gz QDCNTRWYGPIPIJ-FDDCHVKYSA-N 0 0 451.567 4.325 50 0 JIAARN Cc1ccc(-n2nc(N3CCN(C(=O)Nc4cc(Cl)ccc4C)CC3)ccc2=O)cc1C ZINC000033037811 525929916 /nfs/dbraw/zinc/92/99/16/525929916.db2.gz QONHAISEZOASCJ-UHFFFAOYSA-N 0 0 451.958 4.165 50 0 JIAARN COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021862123 525929972 /nfs/dbraw/zinc/92/99/72/525929972.db2.gz PVIQHJNYTVUJNK-HHHXNRCGSA-N 0 0 460.578 4.299 50 0 JIAARN COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)c1 ZINC000021860713 525930065 /nfs/dbraw/zinc/93/00/65/525930065.db2.gz XHFWTJBAMDEBNA-KBVTYMBASA-N 0 0 460.578 4.155 50 0 JIAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(=O)N2CCCc4ccccc42)nc3C(C)C)cc1C ZINC000013971515 525932546 /nfs/dbraw/zinc/93/25/46/525932546.db2.gz UPUFAHCMMYXBSR-UHFFFAOYSA-N 0 0 455.562 4.302 50 0 JIAARN Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCCSC13CC4CC(CC(C4)C1)C3)c2=O ZINC000064970805 525937194 /nfs/dbraw/zinc/93/71/94/525937194.db2.gz UNYOTWUHAGYHKO-UHFFFAOYSA-N 0 0 491.661 4.017 50 0 JIAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC(C(=O)NCCc3ccc(C)cc3)CC1)nnc2C ZINC000008593925 525938239 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/nfs/dbraw/zinc/87/47/46/553874746.db2.gz XUVSBZDEIBZFPR-UHFFFAOYSA-N 0 0 486.402 4.405 50 0 JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000000940618 553876356 /nfs/dbraw/zinc/87/63/56/553876356.db2.gz IHVVIYNLNGOAEE-VWLOTQADSA-N 0 0 498.543 4.197 50 0 JIAARN O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1Cl ZINC000000941738 553877275 /nfs/dbraw/zinc/87/72/75/553877275.db2.gz PNNIOBRMUFUZOW-OAQYLSRUSA-N 0 0 497.334 4.383 50 0 JIAARN CCc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(I)cc2)C1=O ZINC000000947631 553879671 /nfs/dbraw/zinc/87/96/71/553879671.db2.gz NCZNDTHAESTXQL-UHFFFAOYSA-N 0 0 452.679 4.289 50 0 JIAARN CCOC(=O)c1c(NC(=O)COC(=O)c2ccccc2Br)sc2c1CCCC2 ZINC000000954953 553882907 /nfs/dbraw/zinc/88/29/07/553882907.db2.gz YIMQUACVKIKUQO-UHFFFAOYSA-N 0 0 466.353 4.362 50 0 JIAARN Cc1nn(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c(C)c1Sc1ccccc1 ZINC000000955217 553883134 /nfs/dbraw/zinc/88/31/34/553883134.db2.gz ZDOOVJFBLSEOKR-FQEVSTJZSA-N 0 0 459.568 4.284 50 0 JIAARN CC1=NC(=S)N[C@@H](c2ccc(OC(=O)c3ccccc3)cc2)C1C(=O)OCc1ccccc1 ZINC000000956309 553884013 /nfs/dbraw/zinc/88/40/13/553884013.db2.gz KEQFIYJXOYAZSG-QHCPKHFHSA-N 0 0 458.539 4.442 50 0 JIAARN COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccnc2)cc1OCc1ccccc1 ZINC000000956693 553884284 /nfs/dbraw/zinc/88/42/84/553884284.db2.gz RBNPZRCPYTZOKD-HSZRJFAPSA-N 0 0 460.559 4.101 50 0 JIAARN COc1cccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)c1 ZINC000000959932 553886087 /nfs/dbraw/zinc/88/60/87/553886087.db2.gz QIGNMEROSADTPA-UHFFFAOYSA-N 0 0 461.905 4.379 50 0 JIAARN CC(C)c1cc(I)ccc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1 ZINC000000983248 553892039 /nfs/dbraw/zinc/89/20/39/553892039.db2.gz UYNDDHRPDVURFK-UHFFFAOYSA-N 0 0 479.343 4.382 50 0 JIAARN CCOc1ccc(/C=C2/N=C(c3cccc(I)c3)OC2=O)cc1OCC ZINC000000994349 553896975 /nfs/dbraw/zinc/89/69/75/553896975.db2.gz RSPBXJLDLCIAHP-MHWRWJLKSA-N 0 0 463.271 4.433 50 0 JIAARN O=C(CS[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000001226860 553936109 /nfs/dbraw/zinc/93/61/09/553936109.db2.gz ZAZJXYQDJXOWPC-OAHLLOKOSA-N 0 0 498.196 4.215 50 0 JIAARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC1CCCCCC1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000001460068 553975065 /nfs/dbraw/zinc/97/50/65/553975065.db2.gz XPNVYAOLPOXRMS-LDLFBNOTSA-N 0 0 496.560 4.474 50 0 JIAARN CCOC(=O)c1c(NC(=O)CSCC(=O)Nc2ccc(OC)cc2)sc2c1CCCC2 ZINC000001944885 554005702 /nfs/dbraw/zinc/00/57/02/554005702.db2.gz XUTSRCATGMCQAA-UHFFFAOYSA-N 0 0 462.593 4.123 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000002056608 554014243 /nfs/dbraw/zinc/01/42/43/554014243.db2.gz UWJNTYRQNRNQGV-JKALPCAWSA-N 0 0 473.381 4.105 50 0 JIAARN COc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000002064796 554019663 /nfs/dbraw/zinc/01/96/63/554019663.db2.gz VXEQDUWQNLBTQW-LJQANCHMSA-N 0 0 468.575 4.085 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)cc1 ZINC000002091586 554035016 /nfs/dbraw/zinc/03/50/16/554035016.db2.gz RZIRZVBIBGRLOY-QFIPXVFZSA-N 0 0 483.586 4.197 50 0 JIAARN CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C[C@H]4CCCO4)CC(=O)N32)cc1 ZINC000002096425 554040862 /nfs/dbraw/zinc/04/08/62/554040862.db2.gz IDZGCRJCHQXFPW-MHLNXUHPSA-N 0 0 457.574 4.155 50 0 biogenic JIAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000002098195 554041344 /nfs/dbraw/zinc/04/13/44/554041344.db2.gz XYYOFRUWHBYYSX-HOTGVXAUSA-N 0 0 453.366 4.077 50 0 JIAARN CCCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)c(OC)c2)C1=O ZINC000002104034 554044617 /nfs/dbraw/zinc/04/46/17/554044617.db2.gz VTYPCESUVMJVHC-CUNXSJBXSA-N 0 0 475.589 4.450 50 0 biogenic JIAARN COc1cc([C@@H](O)[P@](=O)(OCCC(C)C)c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000002106867 554046959 /nfs/dbraw/zinc/04/69/59/554046959.db2.gz LOMUWQZWYSXTKI-GTYOFVGBSA-N 0 0 451.500 4.436 50 0 JIAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)N32)c1 ZINC000002107728 554047637 /nfs/dbraw/zinc/04/76/37/554047637.db2.gz QKXPHLCBMWYFHQ-BKMJKUGQSA-N 0 0 481.508 4.431 50 0 biogenic JIAARN COc1ccccc1CN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2C)C1=O ZINC000002110853 554049588 /nfs/dbraw/zinc/04/95/88/554049588.db2.gz JLDJSHCRNMUJAF-CUBQBAPOSA-N 0 0 465.553 4.370 50 0 biogenic JIAARN COc1ccc(CN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3ccccc3OC)C2=O)cc1 ZINC000002118791 554054511 /nfs/dbraw/zinc/05/45/11/554054511.db2.gz KXALGAISZPTCBL-CUBQBAPOSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN O=S(=O)(Oc1ccc(C(=S)N2CCOCC2)cc1Br)c1ccc2ccccc2c1 ZINC000002142504 554064477 /nfs/dbraw/zinc/06/44/77/554064477.db2.gz MQZFOFALSJPUDK-UHFFFAOYSA-N 0 0 492.416 4.378 50 0 JIAARN CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000002147529 554067032 /nfs/dbraw/zinc/06/70/32/554067032.db2.gz BKJPGOIXEUZYAC-HXUWFJFHSA-N 0 0 457.548 4.079 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Oc2cc3oc(=O)cc(C)c3cc2Cl)cc1 ZINC000002152117 554070473 /nfs/dbraw/zinc/07/04/73/554070473.db2.gz GLISXEVAJKDEOP-LJQANCHMSA-N 0 0 477.966 4.362 50 0 JIAARN CCCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(OC)c2OC)C1=O ZINC000002153994 554071363 /nfs/dbraw/zinc/07/13/63/554071363.db2.gz OKOQIAFXZBJNDQ-NVQXNPDNSA-N 0 0 475.589 4.450 50 0 biogenic JIAARN CCOC(=O)C1=NN(c2ccc(Cl)cc2)C2=NC(C)=C(C(=O)OCC)[C@H](c3ccccc3)N12 ZINC000002181287 554080315 /nfs/dbraw/zinc/08/03/15/554080315.db2.gz GUJAFHFTSNLAFJ-FQEVSTJZSA-N 0 0 466.925 4.287 50 0 JIAARN COC(=O)[C@@](NC(=O)c1ccccc1)(Nc1ccc(OC(F)(F)Cl)cc1)C(F)(F)F ZINC000002192078 554087202 /nfs/dbraw/zinc/08/72/02/554087202.db2.gz KCMPZDRPWUKMKK-INIZCTEOSA-N 0 0 452.763 4.128 50 0 JIAARN COC(=O)c1c(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CCCCCC2 ZINC000002210044 554094738 /nfs/dbraw/zinc/09/47/38/554094738.db2.gz RRGCFWAKKAAANA-UHFFFAOYSA-N 0 0 492.619 4.346 50 0 JIAARN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)ccc1OC(=O)c1ccc(F)cc1 ZINC000002219397 554099839 /nfs/dbraw/zinc/09/98/39/554099839.db2.gz FAGDSBOVRYGMMT-QFIPXVFZSA-N 0 0 481.549 4.347 50 0 JIAARN COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccccc4F)cc3n2)cc1Cl ZINC000002229248 554104555 /nfs/dbraw/zinc/10/45/55/554104555.db2.gz IQNWRZHLHXZLGJ-UHFFFAOYSA-N 0 0 455.902 4.348 50 0 JIAARN CCOC(=O)[C@@H](C)Sc1nc2ccc(I)cc2c(=O)n1-c1cccc(C)c1 ZINC000002232229 554105886 /nfs/dbraw/zinc/10/58/86/554105886.db2.gz JXHHSSXMRIXPON-CYBMUJFWSA-N 0 0 494.354 4.342 50 0 JIAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3cc(Br)ccc3OC)N2C1=O ZINC000002257540 554119589 /nfs/dbraw/zinc/11/95/89/554119589.db2.gz QCOUIMOHIQMTJC-RDJZCZTQSA-N 0 0 467.385 4.448 50 0 JIAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@](C)(CC)OC3 ZINC000002262222 554122595 /nfs/dbraw/zinc/12/25/95/554122595.db2.gz JPYRGGKCVXFPJV-QHCPKHFHSA-N 0 0 458.605 4.403 50 0 JIAARN COc1ccc(CCNC(=O)c2c(N)n(CCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002290635 554134996 /nfs/dbraw/zinc/13/49/96/554134996.db2.gz CKJBBURDZXBVHQ-UHFFFAOYSA-N 0 0 465.557 4.391 50 0 JIAARN COc1ccc(CCNC(=O)c2c(N)n(CCc3ccc(OC)cc3)c3nc4ccccc4nc32)cc1 ZINC000002310754 554143448 /nfs/dbraw/zinc/14/34/48/554143448.db2.gz UVEUARSDBCRCCO-UHFFFAOYSA-N 0 0 495.583 4.399 50 0 JIAARN COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000002317014 554146055 /nfs/dbraw/zinc/14/60/55/554146055.db2.gz VENPWJNUHWHMSM-QFIPXVFZSA-N 0 0 451.906 4.116 50 0 JIAARN COc1ccc(CCN/C=C2/c3ccccc3C(=O)N(c3ccc(OC)cc3OC)C2=O)cc1 ZINC000002324426 554148828 /nfs/dbraw/zinc/14/88/28/554148828.db2.gz UVFHCMLNASJDBV-QJOMJCCJSA-N 0 0 458.514 4.073 50 0 JIAARN O=C(CSc1nnc(-c2cnccn2)n1-c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000002329494 554150861 /nfs/dbraw/zinc/15/08/61/554150861.db2.gz XKWLCZXCQRTPGR-UHFFFAOYSA-N 0 0 456.453 4.474 50 0 JIAARN O=C(Oc1ccc(C(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccco1 ZINC000002356408 554163937 /nfs/dbraw/zinc/16/39/37/554163937.db2.gz CJGANSAXDSMWCJ-UHFFFAOYSA-N 0 0 456.450 4.161 50 0 JIAARN COc1cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccncc4)nc3c2)cc(OC)c1OC ZINC000002359004 554164908 /nfs/dbraw/zinc/16/49/08/554164908.db2.gz HLRVFVDLSQXZQB-UHFFFAOYSA-N 0 0 464.503 4.042 50 0 JIAARN COCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000002365801 554167553 /nfs/dbraw/zinc/16/75/53/554167553.db2.gz JMHJUXKSXQFMHE-SFHVURJKSA-N 0 0 488.334 4.078 50 0 JIAARN O=C(CSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)CCCC3)NCc1ccccc1 ZINC000002379994 554175052 /nfs/dbraw/zinc/17/50/52/554175052.db2.gz AAFZJMYICLKPPQ-UHFFFAOYSA-N 0 0 456.571 4.068 50 0 JIAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@]1(C)CC1(Br)Br ZINC000002383468 554176554 /nfs/dbraw/zinc/17/65/54/554176554.db2.gz GJKLESPAGMREIU-MRXNPFEDSA-N 0 0 474.149 4.188 50 0 JIAARN COc1ccccc1-c1nc2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2n1 ZINC000002394861 554181699 /nfs/dbraw/zinc/18/16/99/554181699.db2.gz GABIMHWJSJMLOD-UNOMPAQXSA-N 0 0 480.343 4.397 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2N)cc1 ZINC000002395152 554181948 /nfs/dbraw/zinc/18/19/48/554181948.db2.gz DUMBVGSCAAKKIW-UHFFFAOYSA-N 0 0 457.865 4.071 50 0 JIAARN COc1ccc(CCN2CN(S(=O)(=O)c3cc(C)ccc3C)c3nc4ccccc4nc32)cc1 ZINC000002406324 554188808 /nfs/dbraw/zinc/18/88/08/554188808.db2.gz FBXUBEUHGSFTGZ-UHFFFAOYSA-N 0 0 474.586 4.471 50 0 JIAARN Cn1nc(-c2ccc(C(=O)Nc3ccc(C(=O)N4CCCCC4)cc3)cc2)c2ccccc2c1=O ZINC000002413443 554193545 /nfs/dbraw/zinc/19/35/45/554193545.db2.gz JLSGKUPOTTUULL-UHFFFAOYSA-N 0 0 466.541 4.479 50 0 JIAARN Cc1c(C#N)c(=O)n(C)c(N2CCCCCC2)c1/C=C1\SC(=S)N(CCC(C)C)C1=O ZINC000002416143 554195078 /nfs/dbraw/zinc/19/50/78/554195078.db2.gz CGSRNHDAIILKDO-CPNJWEJPSA-N 0 0 458.653 4.193 50 0 JIAARN Cc1cccc(C(=O)OCCn2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002423933 554199859 /nfs/dbraw/zinc/19/98/59/554199859.db2.gz FJTARAPOONWTNK-UHFFFAOYSA-N 0 0 486.553 4.165 50 0 JIAARN Nc1c(C(=O)OC[C@H]2CCCO2)c2nc3ccccc3nc2n1-c1ccc(OC(F)(F)F)cc1 ZINC000002428053 554203049 /nfs/dbraw/zinc/20/30/49/554203049.db2.gz HCMLLLWNDXCCEB-OAHLLOKOSA-N 0 0 472.423 4.390 50 0 JIAARN CCCOC(=O)c1ccc(-n2c(N)c(C(=O)NCCCOC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002429053 554203844 /nfs/dbraw/zinc/20/38/44/554203844.db2.gz XCNGNSVUYSEKIS-UHFFFAOYSA-N 0 0 489.576 4.268 50 0 JIAARN CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1ccccn1 ZINC000002438708 554208680 /nfs/dbraw/zinc/20/86/80/554208680.db2.gz HQASCKZNEOBFKO-UHFFFAOYSA-N 0 0 454.300 4.132 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2 ZINC000002459520 554223038 /nfs/dbraw/zinc/22/30/38/554223038.db2.gz ZVRAPYPBOQXFOO-UHFFFAOYSA-N 0 0 477.970 4.413 50 0 JIAARN COc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)cc1 ZINC000002498838 554228984 /nfs/dbraw/zinc/22/89/84/554228984.db2.gz IWKRCBRXNYGACF-UHFFFAOYSA-N 0 0 487.441 4.243 50 0 JIAARN COc1ccc(Br)cc1/C=c1\sc2nc(-c3oc4ccccc4c3C)nn2c1=O ZINC000002533449 554233466 /nfs/dbraw/zinc/23/34/66/554233466.db2.gz WWGUVUUZVJVYQC-YVLHZVERSA-N 0 0 468.332 4.191 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000002616481 554241303 /nfs/dbraw/zinc/24/13/03/554241303.db2.gz ZQEVZLLAVLEUIH-MWTRTKDXSA-N 0 0 478.376 4.241 50 0 JIAARN CCn1c2ccccc2c2cc(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)ccc21 ZINC000002617701 554242295 /nfs/dbraw/zinc/24/22/95/554242295.db2.gz NIOKPYGYASQXRY-UHFFFAOYSA-N 0 0 483.615 4.078 50 0 JIAARN CCOc1ccc(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)cc1 ZINC000002618942 554243630 /nfs/dbraw/zinc/24/36/30/554243630.db2.gz YOMNTYPIDPDXPY-UHFFFAOYSA-N 0 0 475.592 4.141 50 0 JIAARN O=C(CSc1cccc2cccc(Cl)c21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000002619783 554244508 /nfs/dbraw/zinc/24/45/08/554244508.db2.gz SMCNLWYKVBPCIL-UHFFFAOYSA-N 0 0 477.007 4.245 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)NCCc1ccc(F)cc1 ZINC000002620100 554244879 /nfs/dbraw/zinc/24/48/79/554244879.db2.gz KAJKQDZUVYMWHI-UHFFFAOYSA-N 0 0 490.560 4.312 50 0 JIAARN CCCn1nnnc1NCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000002622233 554246636 /nfs/dbraw/zinc/24/66/36/554246636.db2.gz GVYPATRMPWCJFV-UHFFFAOYSA-N 0 0 450.312 4.184 50 0 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YHQGUVUHYGCXBQ-IBGZPJMESA-N 0 0 473.352 4.476 50 0 JIAARN Cc1cccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002876450 554398715 /nfs/dbraw/zinc/39/87/15/554398715.db2.gz FOTFBHPVTNDZGG-UHFFFAOYSA-N 0 0 458.923 4.211 50 0 JIAARN CCOc1ccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002877351 554399368 /nfs/dbraw/zinc/39/93/68/554399368.db2.gz QYXRBBHVWGISSW-UHFFFAOYSA-N 0 0 470.522 4.261 50 0 JIAARN CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000002880647 554402331 /nfs/dbraw/zinc/40/23/31/554402331.db2.gz YGJIMWGIXDGIGM-UHFFFAOYSA-N 0 0 496.593 4.473 50 0 JIAARN Cc1sc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(F)cc3)n2C)nc1-c1ccccc1 ZINC000002880733 554402334 /nfs/dbraw/zinc/40/23/34/554402334.db2.gz JKBOEIGJVDNVIW-UHFFFAOYSA-N 0 0 496.593 4.298 50 0 JIAARN Cc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002883729 554405290 /nfs/dbraw/zinc/40/52/90/554405290.db2.gz VBUHTHOYFASGRC-UHFFFAOYSA-N 0 0 458.923 4.211 50 0 JIAARN COCCNC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000002931934 554411970 /nfs/dbraw/zinc/41/19/70/554411970.db2.gz HDCSQOQQOSSQSW-UHFFFAOYSA-N 0 0 472.994 4.420 50 0 JIAARN CCOC(=O)[C@@](NC(=O)c1c(F)cccc1F)(Nc1ccc(F)c(Cl)c1)C(F)(F)F ZINC000003103236 554426137 /nfs/dbraw/zinc/42/61/37/554426137.db2.gz CYRRDOICTWWFPS-KRWDZBQOSA-N 0 0 454.754 4.421 50 0 JIAARN Cc1c(NC(=O)[C@H](C)OC(=O)C2(c3ccc(F)cc3)CCCC2)c(=O)n(-c2ccccc2)n1C ZINC000003228302 554433987 /nfs/dbraw/zinc/43/39/87/554433987.db2.gz HCIMHHRDDGPQRS-SFHVURJKSA-N 0 0 465.525 4.006 50 0 JIAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3[nH]c2=S)cc1OC ZINC000003632130 554468646 /nfs/dbraw/zinc/46/86/46/554468646.db2.gz OFJAGEVCNHRXII-UHFFFAOYSA-N 0 0 481.961 4.275 50 0 JIAARN COc1cccc(NCc2cc(Br)c(OCC(=O)N3CCCCC3)c(OC)c2)c1 ZINC000003672729 554469823 /nfs/dbraw/zinc/46/98/23/554469823.db2.gz VCBKEGBOQQPSDY-UHFFFAOYSA-N 0 0 463.372 4.470 50 0 JIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1cccc(Cl)c1C ZINC000006133753 554505646 /nfs/dbraw/zinc/50/56/46/554505646.db2.gz JDYKBDCWSMCNQN-UHFFFAOYSA-N 0 0 467.016 4.176 50 0 JIAARN CCn1c(CCC(=O)NC(c2ccccc2)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000006153441 554512473 /nfs/dbraw/zinc/51/24/73/554512473.db2.gz PHZFMBIDUOMULS-UHFFFAOYSA-N 0 0 490.629 4.145 50 0 JIAARN O=C(Nc1ccc(I)cc1)/C(=C\c1ccncc1)NC(=O)c1ccccc1 ZINC000006446032 554540239 /nfs/dbraw/zinc/54/02/39/554540239.db2.gz FAIDIVGKZNVOLR-XMHGGMMESA-N 0 0 469.282 4.096 50 0 JIAARN CN1C(=O)C(=C(Nc2ccc(Cc3ccncc3)cc2)c2ccccc2Cl)C(=O)N(C)C1=O ZINC000006456667 554541268 /nfs/dbraw/zinc/54/12/68/554541268.db2.gz KWIWTFUGRAAPRW-UHFFFAOYSA-N 0 0 460.921 4.199 50 0 JIAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000006577011 554552231 /nfs/dbraw/zinc/55/22/31/554552231.db2.gz FILPEGRNZOHQAC-UHFFFAOYSA-N 0 0 451.527 4.075 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1CCc1ccccc1 ZINC000006904226 554560646 /nfs/dbraw/zinc/56/06/46/554560646.db2.gz RLBYDMUEPOCUIY-UHFFFAOYSA-N 0 0 473.558 4.100 50 0 JIAARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(OC(=O)c2cccc(Br)c2)cc1 ZINC000008395923 554570606 /nfs/dbraw/zinc/57/06/06/554570606.db2.gz SYQDVJNJSKDIHL-UHFFFAOYSA-N 0 0 483.322 4.323 50 0 JIAARN CC(C)(C)c1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000008399997 554575047 /nfs/dbraw/zinc/57/50/47/554575047.db2.gz DSJDVMZCXTVDSW-UHFFFAOYSA-N 0 0 466.622 4.410 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000008430349 554583397 /nfs/dbraw/zinc/58/33/97/554583397.db2.gz QSEDDBILIXQADI-UHFFFAOYSA-N 0 0 472.950 4.254 50 0 JIAARN O=C1[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)cc3)N2C(=S)N1C[C@@H]1CCCO1 ZINC000008438460 554589504 /nfs/dbraw/zinc/58/95/04/554589504.db2.gz TYFOBHHIWPLBDE-SAWYMBPVSA-N 0 0 451.979 4.444 50 0 JIAARN CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000008438600 554589712 /nfs/dbraw/zinc/58/97/12/554589712.db2.gz ICIVDNVOXDDQQT-ANAFOTAVSA-N 0 0 460.611 4.422 50 0 JIAARN CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000008438596 554589714 /nfs/dbraw/zinc/58/97/14/554589714.db2.gz ICIVDNVOXDDQQT-MTPWMDRRSA-N 0 0 460.611 4.422 50 0 JIAARN COc1ccc(CCNC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)c(OC)c1 ZINC000008587858 554601966 /nfs/dbraw/zinc/60/19/66/554601966.db2.gz DRIGQOVSHKZXIQ-UHFFFAOYSA-N 0 0 465.575 4.076 50 0 JIAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccnc1Sc1ccc(Cl)cc1 ZINC000008762488 554662156 /nfs/dbraw/zinc/66/21/56/554662156.db2.gz OJXRVHPJJKKEFG-UHFFFAOYSA-N 0 0 490.006 4.159 50 0 JIAARN O=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000008776056 554674284 /nfs/dbraw/zinc/67/42/84/554674284.db2.gz JNIMXMFACGVCID-HXUWFJFHSA-N 0 0 467.572 4.345 50 0 JIAARN CCOc1ccccc1N1C[C@@H](C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)CC1=O ZINC000008777419 554674624 /nfs/dbraw/zinc/67/46/24/554674624.db2.gz JYDGBPQXCBXOME-IBGZPJMESA-N 0 0 459.550 4.062 50 0 JIAARN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000008778421 554675286 /nfs/dbraw/zinc/67/52/86/554675286.db2.gz QHKTXFGTSXEKCX-SKLOBRBISA-N 0 0 452.624 4.425 50 0 JIAARN O=C(NCCc1ccc(Cl)cc1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000008778897 554675695 /nfs/dbraw/zinc/67/56/95/554675695.db2.gz NKOIMIAUFLPEAX-UHFFFAOYSA-N 0 0 450.894 4.392 50 0 JIAARN O=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)c1ccc2ccccc2n1 ZINC000008790503 554683812 /nfs/dbraw/zinc/68/38/12/554683812.db2.gz ZFXKRYADHMGZQJ-UHFFFAOYSA-N 0 0 452.561 4.271 50 0 JIAARN COc1ccc(CNC(=O)COc2cc3c(c4oc(=O)c(C)c(C)c24)CCC(C)(C)O3)c(OC)c1 ZINC000008791375 554684462 /nfs/dbraw/zinc/68/44/62/554684462.db2.gz MIKXAXXTEVQASP-UHFFFAOYSA-N 0 0 481.545 4.226 50 0 biogenic JIAARN COc1ccc(CCNC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)cc1OC ZINC000008791443 554684471 /nfs/dbraw/zinc/68/44/71/554684471.db2.gz SVIQUAYHRFGKFF-UHFFFAOYSA-N 0 0 465.546 4.124 50 0 biogenic JIAARN CC1(C)CCc2c(cc(OCC(=O)Nc3ccc(CCO)cc3)c3c4c(c(=O)oc23)CCCC4)O1 ZINC000008791397 554684507 /nfs/dbraw/zinc/68/45/07/554684507.db2.gz IQNZKCONIWMPTK-UHFFFAOYSA-N 0 0 477.557 4.328 50 0 biogenic JIAARN CC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000008791650 554684889 /nfs/dbraw/zinc/68/48/89/554684889.db2.gz PVGIVJHMYWKRAE-WRSRFLKKSA-N 0 0 486.616 4.083 50 0 biogenic JIAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCC1 ZINC000008791617 554684942 /nfs/dbraw/zinc/68/49/42/554684942.db2.gz KAZXLFVXZATPTP-PTRBTKKBSA-N 0 0 498.627 4.228 50 0 biogenic JIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3ccccc3n2CC)c1 ZINC000008807600 554687538 /nfs/dbraw/zinc/68/75/38/554687538.db2.gz VCWVXNSRNJIUPM-UHFFFAOYSA-N 0 0 481.043 4.471 50 0 JIAARN Cc1c(S(=O)(=O)CCNC(=O)NCc2ccc(F)cc2)c2ccccc2n1Cc1ccccc1 ZINC000008808565 554687739 /nfs/dbraw/zinc/68/77/39/554687739.db2.gz YGZNGENKXMFUTH-UHFFFAOYSA-N 0 0 479.577 4.410 50 0 JIAARN CSc1nsc(SCC(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000008814352 554696727 /nfs/dbraw/zinc/69/67/27/554696727.db2.gz QFINDYLOWQVCOD-UHFFFAOYSA-N 0 0 466.635 4.100 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000008818881 554702841 /nfs/dbraw/zinc/70/28/41/554702841.db2.gz HIAZNDOOINJJCF-XDPNSAAYSA-N 0 0 482.964 4.256 50 0 JIAARN Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)ccc1Br ZINC000008824333 554711143 /nfs/dbraw/zinc/71/11/43/554711143.db2.gz FBAJONDBXFAYRP-UHFFFAOYSA-N 0 0 450.292 4.201 50 0 JIAARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000008824257 554711156 /nfs/dbraw/zinc/71/11/56/554711156.db2.gz XNPQQJSDMMZJDH-UHFFFAOYSA-N 0 0 489.450 4.301 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000008826347 554715870 /nfs/dbraw/zinc/71/58/70/554715870.db2.gz PMUAPOISNRFJMZ-UHFFFAOYSA-N 0 0 464.591 4.079 50 0 JIAARN CCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccc(C)c(Cl)c1 ZINC000008830835 554720533 /nfs/dbraw/zinc/72/05/33/554720533.db2.gz OCTUFSSTEQFQCQ-GYHWCHFESA-N 0 0 478.039 4.452 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000008839830 554739915 /nfs/dbraw/zinc/73/99/15/554739915.db2.gz ZXTQKTCTSFUPDW-HSZRJFAPSA-N 0 0 460.559 4.330 50 0 JIAARN O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](Cn2c3ccccc3c3ccccc32)O1 ZINC000008844671 554741494 /nfs/dbraw/zinc/74/14/94/554741494.db2.gz JRHVBZPVHXACOH-KRWDZBQOSA-N 0 0 454.935 4.064 50 0 JIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)n[nH]2)c(O)c1C ZINC000008845665 554743369 /nfs/dbraw/zinc/74/33/69/554743369.db2.gz QLXWLYOBRNPVNZ-HNNXBMFYSA-N 0 0 468.579 4.072 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)NC3CCCCCC3)cs2)c1 ZINC000008850004 554747132 /nfs/dbraw/zinc/74/71/32/554747132.db2.gz DBUMSTXKYILOBI-UHFFFAOYSA-N 0 0 460.625 4.214 50 0 JIAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCCSc1ccc(Cl)cc1 ZINC000008855636 554751421 /nfs/dbraw/zinc/75/14/21/554751421.db2.gz OYDSWKYREPPTKX-UHFFFAOYSA-N 0 0 479.989 4.044 50 0 JIAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000008861852 554759267 /nfs/dbraw/zinc/75/92/67/554759267.db2.gz FIKIQOVKXULYBT-CQSZACIVSA-N 0 0 462.506 4.028 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(C)cc4)C3=O)[C@@H](c3ccco3)C2)cc1 ZINC000008862168 554759684 /nfs/dbraw/zinc/75/96/84/554759684.db2.gz MOZNBBRZVQZBLQ-AMGIVPHBSA-N 0 0 470.529 4.041 50 0 JIAARN CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)cc1OCC ZINC000008869520 554763275 /nfs/dbraw/zinc/76/32/75/554763275.db2.gz MXHCQCKKMRWFBF-HSZRJFAPSA-N 0 0 451.519 4.481 50 0 JIAARN COc1cccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CCc2ccc(F)cc2)c1 ZINC000008869703 554763541 /nfs/dbraw/zinc/76/35/41/554763541.db2.gz GQFOWLQRFRRXFB-QHCPKHFHSA-N 0 0 477.561 4.408 50 0 JIAARN COc1cc2c(cc1OC)C1=NC(=O)[C@@H](C(C)C)N1C(SCc1csc(Cl)n1)=N2 ZINC000008873487 554770235 /nfs/dbraw/zinc/77/02/35/554770235.db2.gz BBEVBOKKUVKBCI-OAHLLOKOSA-N 0 0 450.973 4.362 50 0 JIAARN COc1ccccc1CNC(=O)CSc1ccc(-c2sc(-c3cccnc3)nc2C)nn1 ZINC000008876007 554771294 /nfs/dbraw/zinc/77/12/94/554771294.db2.gz BNQUDXGWGWMPHI-UHFFFAOYSA-N 0 0 463.588 4.388 50 0 JIAARN O=C(NCCc1ccc(Cl)cc1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000008876212 554771513 /nfs/dbraw/zinc/77/15/13/554771513.db2.gz DDXMVKAMZNQBEQ-UHFFFAOYSA-N 0 0 469.434 4.437 50 0 JIAARN C[C@H](C(=O)NC[C@@H]1CCCO1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000008876603 554771873 /nfs/dbraw/zinc/77/18/73/554771873.db2.gz HVILSMUKLGZTIY-XXHMAFKTSA-N 0 0 462.974 4.418 50 0 JIAARN Cc1c2oc3c(c2cc2c(C)c(CC(=O)N4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c(=O)oc12)CCCC3 ZINC000008877717 554773113 /nfs/dbraw/zinc/77/31/13/554773113.db2.gz ADGIMVUEJJJXGL-MOPGFXCFSA-N 0 0 498.579 4.385 50 0 biogenic JIAARN C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)C(=O)Nc1ccccc1 ZINC000008879218 554774751 /nfs/dbraw/zinc/77/47/51/554774751.db2.gz XMYFLWGXQDUFOM-MRXNPFEDSA-N 0 0 472.592 4.031 50 0 JIAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000008879177 554774772 /nfs/dbraw/zinc/77/47/72/554774772.db2.gz VCNONJDEYHMNQR-CQSZACIVSA-N 0 0 492.972 4.373 50 0 JIAARN O=S(=O)(c1cccc(-c2nnc(SCCSc3ccc(Cl)cc3)o2)c1)N1CCOCC1 ZINC000008882311 554777181 /nfs/dbraw/zinc/77/71/81/554777181.db2.gz HGLVNRARXTWTPD-UHFFFAOYSA-N 0 0 498.051 4.295 50 0 JIAARN COc1ccc2c(c1)c(CC(=O)OCC(=O)NCc1ccco1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000008883480 554778295 /nfs/dbraw/zinc/77/82/95/554778295.db2.gz FNRWJQCWQYIGSB-UHFFFAOYSA-N 0 0 494.931 4.295 50 0 JIAARN CCOc1cc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)ccc1O ZINC000008884599 554778830 /nfs/dbraw/zinc/77/88/30/554778830.db2.gz DRUYVZHFGOZXAN-NSHDSACASA-N 0 0 455.294 4.026 50 0 JIAARN COC(=O)[C@H](C)SC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 ZINC000008893293 554781906 /nfs/dbraw/zinc/78/19/06/554781906.db2.gz XRNNWFNBYWJZGF-CYUIRQCWSA-N 0 0 462.474 4.335 50 0 JIAARN O=c1c2nnn(-c3ccc(Br)cc3)c2ncn1Cc1ccc(Cl)c(Cl)c1 ZINC000008903302 554797578 /nfs/dbraw/zinc/79/75/78/554797578.db2.gz WFMOZPIHVOCYQY-UHFFFAOYSA-N 0 0 451.111 4.095 50 0 JIAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccc(C)cc2)s1 ZINC000008912458 554802673 /nfs/dbraw/zinc/80/26/73/554802673.db2.gz LJBPLAMJUBIEJN-UHFFFAOYSA-N 0 0 471.025 4.343 50 0 JIAARN CCOc1ccc(CCNC(=O)CCCN2C(=O)CSc3nc(C)cc(C)c32)cc1OCC ZINC000008913787 554806839 /nfs/dbraw/zinc/80/68/39/554806839.db2.gz KCPJFQNZUWWXDF-UHFFFAOYSA-N 0 0 471.623 4.074 50 0 JIAARN Cc1cc(C)c2oc(C(=O)N(Cc3ccc(C(C)C)cc3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000008915265 554808734 /nfs/dbraw/zinc/80/87/34/554808734.db2.gz OBAOWCRZOBCQSL-NRFANRHFSA-N 0 0 467.587 4.363 50 0 JIAARN Cc1cccc(-n2ccc(=O)c(C(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCCC4)n2)c1 ZINC000008917373 554812389 /nfs/dbraw/zinc/81/23/89/554812389.db2.gz CHZGMSVENWWCKH-UHFFFAOYSA-N 0 0 488.569 4.257 50 0 JIAARN CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)cc(=O)c2c1 ZINC000008917625 554813043 /nfs/dbraw/zinc/81/30/43/554813043.db2.gz SISMZSQYIGCGJM-MRXNPFEDSA-N 0 0 454.548 4.171 50 0 JIAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NC2CCCCC2)C(=O)[C@]31C ZINC000008918066 554814039 /nfs/dbraw/zinc/81/40/39/554814039.db2.gz CWQVYRNTPLPQPA-NDEPHWFRSA-N 0 0 486.572 4.479 50 0 biogenic JIAARN COc1ccccc1COc1ccc2c(C)c(CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(=O)oc2c1 ZINC000008918340 554814775 /nfs/dbraw/zinc/81/47/75/554814775.db2.gz INJWYKXINWTLFR-LGGPFLRQSA-N 0 0 491.584 4.385 50 0 biogenic JIAARN C[C@]12C(=O)N(c3cccc(C(=O)NCCc4ccccc4)c3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000008918358 554814815 /nfs/dbraw/zinc/81/48/15/554814815.db2.gz KACIGARGOZJMMJ-LJAQVGFWSA-N 0 0 478.552 4.381 50 0 biogenic JIAARN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc(OC(=O)c2cccs2)cc1 ZINC000008927335 554824782 /nfs/dbraw/zinc/82/47/82/554824782.db2.gz ZZYBOMWDSLBYJY-INIZCTEOSA-N 0 0 483.929 4.400 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000008934326 554828821 /nfs/dbraw/zinc/82/88/21/554828821.db2.gz CSGIXBBQAPHAOV-VOMPUTFMSA-N 0 0 473.381 4.105 50 0 JIAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000008942929 554832395 /nfs/dbraw/zinc/83/23/95/554832395.db2.gz NQTZSGFIXOTHPW-UHFFFAOYSA-N 0 0 456.593 4.011 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)NC(=O)c3cccs3)n2CCc2ccccc2)cc1 ZINC000008980711 554846746 /nfs/dbraw/zinc/84/67/46/554846746.db2.gz MSNPBNCCOBRDQM-UHFFFAOYSA-N 0 0 478.599 4.307 50 0 JIAARN COc1ccc([C@@H](CNC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c2c[nH]c3ccccc32)cc1 ZINC000008985675 554849091 /nfs/dbraw/zinc/84/90/91/554849091.db2.gz QCGAOIQCIWMKQD-JOCHJYFZSA-N 0 0 473.573 4.134 50 0 JIAARN COc1ccc(-c2coc3cc(OCC(=O)NCc4cccs4)ccc3c2=O)cc1OC ZINC000008990413 554852036 /nfs/dbraw/zinc/85/20/36/554852036.db2.gz OWSFZKOAMBYVCK-UHFFFAOYSA-N 0 0 451.500 4.234 50 0 biogenic JIAARN Cn1c2c(c(-c3ccc(Cl)cc3Cl)n3c2[C@H](c2cccs2)OCC3)c(=O)n(C)c1=O ZINC000008992576 554853264 /nfs/dbraw/zinc/85/32/64/554853264.db2.gz HXNLMFRKJZYOFJ-IBGZPJMESA-N 0 0 462.358 4.194 50 0 JIAARN Cc1cc(C)cc(-n2c(-c3ccc(Cl)cc3Cl)cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 ZINC000009013429 554864994 /nfs/dbraw/zinc/86/49/94/554864994.db2.gz MNTGPFADFPCAHK-UHFFFAOYSA-N 0 0 468.344 4.266 50 0 JIAARN CCc1ccccc1-n1c(-c2ccc(Cl)cc2Cl)cn2c3c(nc21)n(C)c(=O)n(C)c3=O ZINC000009015468 554865712 /nfs/dbraw/zinc/86/57/12/554865712.db2.gz ZFBYRYJENQHAKC-UHFFFAOYSA-N 0 0 468.344 4.212 50 0 JIAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009034007 554868343 /nfs/dbraw/zinc/86/83/43/554868343.db2.gz NNBZEFMXIKRNCV-RXFWQSSRSA-N 0 0 488.496 4.295 50 0 biogenic JIAARN Cc1sc2ncn(CC(=O)c3ccc4c(c3)N(C)C(=O)CO4)c(=O)c2c1-c1ccc(Cl)cc1 ZINC000009043958 554869787 /nfs/dbraw/zinc/86/97/87/554869787.db2.gz DNADDAGTQINKLC-UHFFFAOYSA-N 0 0 479.945 4.325 50 0 JIAARN COc1ccc(C(=O)c2oc3cc(NC(=O)CCn4nnc5ccccc5c4=O)ccc3c2C)cc1 ZINC000009050315 554871629 /nfs/dbraw/zinc/87/16/29/554871629.db2.gz ZTVNPUXNOVPUCK-UHFFFAOYSA-N 0 0 482.496 4.115 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCc2sccc2[C@@H]1C1CC1 ZINC000009052010 554872421 /nfs/dbraw/zinc/87/24/21/554872421.db2.gz AAWOKYNMAQRGEP-DEOSSOPVSA-N 0 0 473.664 4.179 50 0 JIAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc(-c3cn4ccsc4n3)cc1)C2=O ZINC000009056623 554875245 /nfs/dbraw/zinc/87/52/45/554875245.db2.gz LBUKFGTWQMUSOJ-MYYSRTQBSA-N 0 0 465.579 4.138 50 0 JIAARN COc1ccccc1-n1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1cccs1 ZINC000009056787 554875702 /nfs/dbraw/zinc/87/57/02/554875702.db2.gz AXYIDWYFNCGIKM-UHFFFAOYSA-N 0 0 480.571 4.142 50 0 JIAARN COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1cccc(Br)c1)C3 ZINC000009061124 554879015 /nfs/dbraw/zinc/87/90/15/554879015.db2.gz HTVHTROZBAASQD-UHFFFAOYSA-N 0 0 458.308 4.244 50 0 JIAARN O=C([C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N(Cc1ccco1)c1nc2ccccc2s1 ZINC000009067376 554885707 /nfs/dbraw/zinc/88/57/07/554885707.db2.gz KISRTSWQXKMVNI-HXUWFJFHSA-N 0 0 485.562 4.415 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NCc1ccccc1 ZINC000009090551 554891449 /nfs/dbraw/zinc/89/14/49/554891449.db2.gz VVWWBSYDVRYYOY-CLOONOSVSA-N 0 0 473.573 4.408 50 0 JIAARN COc1ccc(CN(C)C(=O)CSc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)cc1OC ZINC000009091575 554891913 /nfs/dbraw/zinc/89/19/13/554891913.db2.gz NEZYMLQPPFKZJD-UHFFFAOYSA-N 0 0 490.025 4.474 50 0 JIAARN CC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009094844 554892337 /nfs/dbraw/zinc/89/23/37/554892337.db2.gz ZWOILWFEGRXNGQ-JOCHJYFZSA-N 0 0 456.951 4.071 50 0 JIAARN O=C(CN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)OCC(=O)c1ccc(F)cc1 ZINC000009094743 554892398 /nfs/dbraw/zinc/89/23/98/554892398.db2.gz LAJQFPNBBCYVFJ-UHFFFAOYSA-N 0 0 479.074 4.461 50 0 JIAARN COc1ccc(-c2noc(CN(C(=O)COc3ccccc3)C3CCCCC3)n2)cc1OC ZINC000009095306 554893033 /nfs/dbraw/zinc/89/30/33/554893033.db2.gz XGDYZBCQZSOOJV-UHFFFAOYSA-N 0 0 451.523 4.494 50 0 JIAARN COc1cc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c(OC)cc1NC(=O)c1ccccc1 ZINC000009095573 554893222 /nfs/dbraw/zinc/89/32/22/554893222.db2.gz CYMXWOPSUKUMDK-UHFFFAOYSA-N 0 0 477.517 4.040 50 0 JIAARN C[C@H](Cc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1)c1ccccc1 ZINC000009095566 554893305 /nfs/dbraw/zinc/89/33/05/554893305.db2.gz MWOOVIIZLIBJMJ-VQIMIIECSA-N 0 0 452.555 4.053 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCC3CCCC3)ccc2N2CCOCC2)cc1 ZINC000009097262 554896083 /nfs/dbraw/zinc/89/60/83/554896083.db2.gz OMXMWXKCXIHFPC-UHFFFAOYSA-N 0 0 487.622 4.242 50 0 JIAARN CCOC(=O)Cc1csc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)n1 ZINC000009100630 554896330 /nfs/dbraw/zinc/89/63/30/554896330.db2.gz OJQNOWSDMPFPRB-UHFFFAOYSA-N 0 0 476.558 4.325 50 0 JIAARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(OC(=O)c2ccccc2Br)cc1 ZINC000009109358 554897745 /nfs/dbraw/zinc/89/77/45/554897745.db2.gz VTSGKUDQUGVPEP-UHFFFAOYSA-N 0 0 483.322 4.323 50 0 JIAARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)OCCO3 ZINC000009112349 554899984 /nfs/dbraw/zinc/89/99/84/554899984.db2.gz OZGCTXKVLJTJAS-IBGZPJMESA-N 0 0 496.629 4.271 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc(C[S@@](=O)c3ccc(Br)cc3)o2)c(OC)c1 ZINC000009115606 554902613 /nfs/dbraw/zinc/90/26/13/554902613.db2.gz KJQWRVXCVMOMBL-PMERELPUSA-N 0 0 492.391 4.340 50 0 JIAARN COc1ccc(-c2cn3nc(N4CCC(C(=O)N5CCc6ccccc6C5)CC4)sc3n2)cc1 ZINC000009117333 554906387 /nfs/dbraw/zinc/90/63/87/554906387.db2.gz WTWFIIXHENRXPQ-UHFFFAOYSA-N 0 0 473.602 4.268 50 0 JIAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nn4cc(-c5ccc(OC)cc5)nc4s3)C2)cc1 ZINC000009117431 554906915 /nfs/dbraw/zinc/90/69/15/554906915.db2.gz TUCXDOOUGUCJKS-LJQANCHMSA-N 0 0 477.590 4.008 50 0 JIAARN COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCc5ccccc5F)C4)sc3n2)cc1 ZINC000009117472 554907035 /nfs/dbraw/zinc/90/70/35/554907035.db2.gz YZSLCWPDAGJBBZ-SFHVURJKSA-N 0 0 465.554 4.138 50 0 JIAARN CC1CCN(C(=O)Cn2cc(SCC(=O)NCc3ccc4c(c3)OCO4)c3ccccc32)CC1 ZINC000009118517 554908166 /nfs/dbraw/zinc/90/81/66/554908166.db2.gz FXTKETBJUBRHSD-UHFFFAOYSA-N 0 0 479.602 4.037 50 0 JIAARN O=C(CNc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc(Oc2ccccc2)c1 ZINC000009119325 554910161 /nfs/dbraw/zinc/91/01/61/554910161.db2.gz VIIAQQYJFHUSMC-UHFFFAOYSA-N 0 0 451.548 4.314 50 0 JIAARN CCCCCCn1nc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2c1=O ZINC000009119466 554910414 /nfs/dbraw/zinc/91/04/14/554910414.db2.gz DPMMTFHIUVCWJN-HSZRJFAPSA-N 0 0 461.562 4.327 50 0 JIAARN CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2=O)cc1 ZINC000009119456 554910427 /nfs/dbraw/zinc/91/04/27/554910427.db2.gz KZMGDGGPUHZXOR-CQSZACIVSA-N 0 0 468.859 4.456 50 0 JIAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1=O ZINC000009119595 554910922 /nfs/dbraw/zinc/91/09/22/554910922.db2.gz UZFOPRNRFYPQLJ-SANMLTNESA-N 0 0 457.486 4.390 50 0 JIAARN O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000009124931 554916584 /nfs/dbraw/zinc/91/65/84/554916584.db2.gz LDJPIQOKAFWADV-UHFFFAOYSA-N 0 0 463.833 4.136 50 0 JIAARN COc1ccc(NC(=O)CN(C)Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)cc1 ZINC000009126468 554920241 /nfs/dbraw/zinc/92/02/41/554920241.db2.gz ULDHOQUDUIEZKC-UHFFFAOYSA-N 0 0 462.575 4.348 50 0 JIAARN O=C(NCc1ccccc1Cl)[C@H](Cc1ccccc1)NC(=O)N1CCn2c3ccccc3nc21 ZINC000009130405 554929936 /nfs/dbraw/zinc/92/99/36/554929936.db2.gz XZOMEXQXICEIJR-QFIPXVFZSA-N 0 0 473.964 4.147 50 0 JIAARN COCCNC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NC(=O)c1ccc(C)cc1 ZINC000009136230 554932620 /nfs/dbraw/zinc/93/26/20/554932620.db2.gz BMWRRDPJOSMDCZ-XHPQRKPJSA-N 0 0 480.568 4.381 50 0 JIAARN Cc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(Br)c1 ZINC000009152838 554941441 /nfs/dbraw/zinc/94/14/41/554941441.db2.gz FVWVKPATNOYTBG-QWHCGFSZSA-N 0 0 497.436 4.381 50 0 JIAARN Cc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c(Br)c1 ZINC000009152835 554941465 /nfs/dbraw/zinc/94/14/65/554941465.db2.gz FVWVKPATNOYTBG-OLZOCXBDSA-N 0 0 497.436 4.381 50 0 JIAARN COc1ccc2c(c1)c1c(c(=O)n(-c3ccc(C)cc3)c(=O)n1CC(=O)Nc1ccc(C)c(C)c1)n2C ZINC000009153694 554943879 /nfs/dbraw/zinc/94/38/79/554943879.db2.gz VNFVTCGRCNFBGN-UHFFFAOYSA-N 0 0 496.567 4.217 50 0 JIAARN COc1ccc2c(c1)c1c(c(=O)n(-c3cccc(Cl)c3)c(=O)n1Cc1cccc(F)c1)n2C ZINC000009153748 554944131 /nfs/dbraw/zinc/94/41/31/554944131.db2.gz GZIGFFKXTQOVGQ-UHFFFAOYSA-N 0 0 463.896 4.494 50 0 JIAARN COc1cc(C(=O)Nc2ncc3c(n2)C[C@H](c2cccc(Cl)c2)CC3=O)cc(OC)c1OC ZINC000009158372 554948090 /nfs/dbraw/zinc/94/80/90/554948090.db2.gz TWMIVTDZEKAHAH-AWEZNQCLSA-N 0 0 467.909 4.321 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000009173413 554954681 /nfs/dbraw/zinc/95/46/81/554954681.db2.gz RIARUKGEGJOIIW-GFCCVEGCSA-N 0 0 458.773 4.403 50 0 JIAARN Cc1sc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n(-c3ccc(F)cc3)c(=O)c2c1C ZINC000009189738 554961715 /nfs/dbraw/zinc/96/17/15/554961715.db2.gz QLJBNTUKJARTKU-UHFFFAOYSA-N 0 0 497.573 4.340 50 0 JIAARN CCc1cccc2c(C(=O)C(=O)Nc3ccc(N4CCOCC4)c(Br)c3)c[nH]c21 ZINC000009192568 554965548 /nfs/dbraw/zinc/96/55/48/554965548.db2.gz VJWKOAIRQUBOQL-UHFFFAOYSA-N 0 0 456.340 4.151 50 0 JIAARN O=C(CCCN1C(=O)c2ccccc2C1=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000009194038 554967694 /nfs/dbraw/zinc/96/76/94/554967694.db2.gz IJERPWYFYWUROE-UHFFFAOYSA-N 0 0 472.545 4.474 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc2)cc1C ZINC000009203577 554974156 /nfs/dbraw/zinc/97/41/56/554974156.db2.gz XDLSAOSZPOFLEP-UHFFFAOYSA-N 0 0 497.661 4.359 50 0 JIAARN COc1ccc(-n2c(SCC(=O)N3CCC(c4ccccc4)=N3)nnc2-c2ccncc2)cc1 ZINC000009204681 554974695 /nfs/dbraw/zinc/97/46/95/554974695.db2.gz PFXUPPHVCOJHLU-UHFFFAOYSA-N 0 0 470.558 4.067 50 0 JIAARN CCc1ccc(-n2c(SCC(=O)NCCc3ccc(OC)cc3)nnc2-c2ccncc2)cc1 ZINC000009207001 554976130 /nfs/dbraw/zinc/97/61/30/554976130.db2.gz KJAFTWNWFCKIKT-UHFFFAOYSA-N 0 0 473.602 4.351 50 0 JIAARN Cc1cccc(-n2c(SCC(=O)N3CC[C@@H](C)Sc4ccccc43)nnc2N2CCOCC2)c1 ZINC000009208848 554977347 /nfs/dbraw/zinc/97/73/47/554977347.db2.gz TYXRJAJAOFSBTB-LJQANCHMSA-N 0 0 495.674 4.422 50 0 JIAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccs1 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451.523 4.370 50 0 JIAARN C[C@@H]1Cc2nc(SCC(=O)Nc3ccc(F)cc3)n(CCc3ccccc3)c(=O)c2S1 ZINC000009560111 555355902 /nfs/dbraw/zinc/35/59/02/555355902.db2.gz KLFRYPZKRFTKAO-OAHLLOKOSA-N 0 0 455.580 4.393 50 0 JIAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nnc(-c2ccoc2C)n1C ZINC000009643392 555356195 /nfs/dbraw/zinc/35/61/95/555356195.db2.gz ZUBFPLOIYBZYQJ-UHFFFAOYSA-N 0 0 458.569 4.026 50 0 JIAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000009645689 555358276 /nfs/dbraw/zinc/35/82/76/555358276.db2.gz ISIZJKPXTOQBNI-UHFFFAOYSA-N 0 0 490.632 4.137 50 0 JIAARN CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000009645934 555358835 /nfs/dbraw/zinc/35/88/35/555358835.db2.gz LALFWVVHIPKGJI-UHFFFAOYSA-N 0 0 498.626 4.305 50 0 JIAARN CCc1sc(-c2nnc(CSc3nnc(N4CCOCC4)n3Cc3ccccc3)o2)cc1C ZINC000013163422 555361317 /nfs/dbraw/zinc/36/13/17/555361317.db2.gz PAYMPWKFZMBTKN-UHFFFAOYSA-N 0 0 482.635 4.438 50 0 JIAARN CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccc(Br)cc2Br)c1 ZINC000009562194 555362270 /nfs/dbraw/zinc/36/22/70/555362270.db2.gz IWOPUYGYAZWZBO-UHFFFAOYSA-N 0 0 493.246 4.271 50 0 JIAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3cccc(Br)c3)cs2)cc1OC ZINC000009659174 555362808 /nfs/dbraw/zinc/36/28/08/555362808.db2.gz XZLHTCUPIXMKAV-UHFFFAOYSA-N 0 0 476.352 4.356 50 0 JIAARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000013164323 555364494 /nfs/dbraw/zinc/36/44/94/555364494.db2.gz RNGXYECHHRWYPK-NRFANRHFSA-N 0 0 483.391 4.266 50 0 JIAARN CCOc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2cccc(OC)c2)cc1 ZINC000009562933 555364824 /nfs/dbraw/zinc/36/48/24/555364824.db2.gz FLKIUNOADGXKTM-UHFFFAOYSA-N 0 0 452.580 4.446 50 0 JIAARN COc1cccc(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)c1 ZINC000009661659 555365749 /nfs/dbraw/zinc/36/57/49/555365749.db2.gz ABXJCYZNNWNZNH-UHFFFAOYSA-N 0 0 450.498 4.448 50 0 JIAARN O=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)C(=O)Nc1ccccc1Cl ZINC000009569055 555365919 /nfs/dbraw/zinc/36/59/19/555365919.db2.gz GNVBLZVRQCWGMP-UHFFFAOYSA-N 0 0 460.346 4.062 50 0 JIAARN CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)s1 ZINC000009662539 555368727 /nfs/dbraw/zinc/36/87/27/555368727.db2.gz VMPHETOBGDOEFC-UHFFFAOYSA-N 0 0 460.606 4.044 50 0 JIAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3Cl)CC2)cs1 ZINC000009573668 555370381 /nfs/dbraw/zinc/37/03/81/555370381.db2.gz FZRLGTLULVSTGK-UHFFFAOYSA-N 0 0 485.997 4.340 50 0 JIAARN Cc1nc(Sc2nc(CN3CCC(C)CC3)nc3sc(C)c(C)c32)sc1CC(N)=O ZINC000009575373 555371428 /nfs/dbraw/zinc/37/14/28/555371428.db2.gz QCVXXGSJGGYPGF-UHFFFAOYSA-N 0 0 461.682 4.484 50 0 JIAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)c2ccccc2)C1=O ZINC000009575558 555371679 /nfs/dbraw/zinc/37/16/79/555371679.db2.gz ONZJJSAJRMCGKU-LJAQVGFWSA-N 0 0 477.520 4.477 50 0 JIAARN COc1ccc(-c2coc3cc(OCC(=O)N4CCc5ccccc5C4)ccc3c2=O)cc1OC ZINC000009575788 555371984 /nfs/dbraw/zinc/37/19/84/555371984.db2.gz VYTXODSJFUQZDB-UHFFFAOYSA-N 0 0 471.509 4.441 50 0 biogenic JIAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)Nc1cccc(Cl)c1Cl ZINC000009663701 555372136 /nfs/dbraw/zinc/37/21/36/555372136.db2.gz CSEAFKAKKZXYAP-UHFFFAOYSA-N 0 0 485.389 4.354 50 0 JIAARN COc1ccc(C)cc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000009663986 555372327 /nfs/dbraw/zinc/37/23/27/555372327.db2.gz WUXCARGDVRAPNA-UHFFFAOYSA-N 0 0 478.888 4.253 50 0 JIAARN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N1CCN(c2nccs2)CC1 ZINC000009576081 555372655 /nfs/dbraw/zinc/37/26/55/555372655.db2.gz NYGSVOVVSQQFPA-OAHLLOKOSA-N 0 0 497.671 4.079 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)NC(=O)NCc1ccccc1 ZINC000009664200 555372965 /nfs/dbraw/zinc/37/29/65/555372965.db2.gz NAMZDNAPKXGKRZ-UHFFFAOYSA-N 0 0 496.951 4.296 50 0 JIAARN C[C@H]1CC(=O)c2c1c(F)ccc2OCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000009577229 555375345 /nfs/dbraw/zinc/37/53/45/555375345.db2.gz IKTGSAUNSDQFSO-INIZCTEOSA-N 0 0 482.533 4.358 50 0 JIAARN Cc1ccc(CN(C)C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)o1 ZINC000009577952 555377575 /nfs/dbraw/zinc/37/75/75/555377575.db2.gz XUORWVXNOIZPSI-UHFFFAOYSA-N 0 0 476.558 4.374 50 0 JIAARN C[C@@H](Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)C(=O)NCc1ccco1 ZINC000009578255 555378884 /nfs/dbraw/zinc/37/88/84/555378884.db2.gz KRVWMUFXLMOGPH-MRXNPFEDSA-N 0 0 462.531 4.112 50 0 JIAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000009666620 555379626 /nfs/dbraw/zinc/37/96/26/555379626.db2.gz WHACOQKOMHSIRF-UHFFFAOYSA-N 0 0 455.986 4.383 50 0 JIAARN Cc1ccc(C(=O)NCCc2nnc3ccc(SCc4c(F)cccc4Cl)nn32)cc1 ZINC000009578525 555379800 /nfs/dbraw/zinc/37/98/00/555379800.db2.gz IVUJOQQRILGKTA-UHFFFAOYSA-N 0 0 455.946 4.490 50 0 JIAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000009666687 555379963 /nfs/dbraw/zinc/37/99/63/555379963.db2.gz USMVMLZVPUOAGA-UHFFFAOYSA-N 0 0 494.473 4.393 50 0 JIAARN O=C(NCc1csc(-c2ccccc2)n1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000013354282 555381861 /nfs/dbraw/zinc/38/18/61/555381861.db2.gz DLODQWWDAZYMIU-UHFFFAOYSA-N 0 0 494.013 4.320 50 0 JIAARN CN(Cc1ccccc1Cl)C(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)c1 ZINC000009579444 555383123 /nfs/dbraw/zinc/38/31/23/555383123.db2.gz LNHCPTAKZBVZBN-NRFANRHFSA-N 0 0 499.036 4.425 50 0 JIAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)n1C ZINC000009580291 555385397 /nfs/dbraw/zinc/38/53/97/555385397.db2.gz VKQHZMWCYBBPHA-UHFFFAOYSA-N 0 0 461.547 4.044 50 0 JIAARN CCc1ccccc1NC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000013360557 555386011 /nfs/dbraw/zinc/38/60/11/555386011.db2.gz QHAUPBMMCRIEAP-UHFFFAOYSA-N 0 0 456.593 4.405 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(Cl)ccn3)ccc2N2CCCC2)cc1 ZINC000009670150 555386286 /nfs/dbraw/zinc/38/62/86/555386286.db2.gz MGWLYVARIZEQPS-UHFFFAOYSA-N 0 0 486.981 4.397 50 0 JIAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)s1 ZINC000009670614 555387805 /nfs/dbraw/zinc/38/78/05/555387805.db2.gz KDNADJIXWYOTPA-IBGZPJMESA-N 0 0 492.576 4.244 50 0 JIAARN CCCCn1nc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c2ccccc2c1=O ZINC000009670943 555389005 /nfs/dbraw/zinc/38/90/05/555389005.db2.gz YWALULBHQXKFNO-UHFFFAOYSA-N 0 0 474.483 4.304 50 0 JIAARN COc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4nc(C(C)C)sc4n3)c2)c1 ZINC000013368036 555389823 /nfs/dbraw/zinc/38/98/23/555389823.db2.gz FMXCQFLCNWDHCV-UHFFFAOYSA-N 0 0 450.520 4.114 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 ZINC000009671448 555390899 /nfs/dbraw/zinc/39/08/99/555390899.db2.gz PKRYQWVOQGRJLD-UHFFFAOYSA-N 0 0 451.527 4.429 50 0 JIAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)cc(=O)n2o1 ZINC000013370370 555391726 /nfs/dbraw/zinc/39/17/26/555391726.db2.gz MJKUQKPJTIBEFZ-UHFFFAOYSA-N 0 0 461.518 4.108 50 0 JIAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000009672513 555394795 /nfs/dbraw/zinc/39/47/95/555394795.db2.gz GUVYFPMLBUWUJZ-UHFFFAOYSA-N 0 0 474.517 4.303 50 0 JIAARN COc1ccccc1N1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000009673239 555396532 /nfs/dbraw/zinc/39/65/32/555396532.db2.gz OKMDCZNNAUPLQY-DNQXCXABSA-N 0 0 461.587 4.016 50 0 JIAARN COc1ccccc1CNC(=O)c1oc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1C ZINC000009673200 555396541 /nfs/dbraw/zinc/39/65/41/555396541.db2.gz RPKLYXZEDWZHSZ-IAGOWNOFSA-N 0 0 470.591 4.346 50 0 JIAARN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009586693 555397497 /nfs/dbraw/zinc/39/74/97/555397497.db2.gz QIAQVDIOHYDMJE-UHFFFAOYSA-N 0 0 495.582 4.362 50 0 JIAARN COc1cc([C@H]2OC(c3cc(Cl)ccc3OC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccco1 ZINC000009586680 555397553 /nfs/dbraw/zinc/39/75/53/555397553.db2.gz NPDNALJDXQIIMA-HSZRJFAPSA-N 0 0 498.875 4.325 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3)ccc2N2CCCC2)cc1 ZINC000009591119 555404438 /nfs/dbraw/zinc/40/44/38/555404438.db2.gz NDKUYFRMNACFGK-UHFFFAOYSA-N 0 0 451.548 4.349 50 0 JIAARN COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000009591687 555405592 /nfs/dbraw/zinc/40/55/92/555405592.db2.gz RRDABJQBANBIEN-OAHLLOKOSA-N 0 0 491.407 4.018 50 0 JIAARN O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000009593652 555408997 /nfs/dbraw/zinc/40/89/97/555408997.db2.gz LHFWGMGWLBBJHS-UHFFFAOYSA-N 0 0 483.640 4.313 50 0 JIAARN O=C(Cc1sc(N2CCCC2)nc1O)Nc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000009594703 555410942 /nfs/dbraw/zinc/41/09/42/555410942.db2.gz RXKSWFHCRCZCAC-TZIWHRDSSA-N 0 0 494.642 4.076 50 0 JIAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc5c(c4)OCCCO5)c(=O)c23)s1 ZINC000009594878 555411275 /nfs/dbraw/zinc/41/12/75/555411275.db2.gz LCEXHZGKGCMDLH-UHFFFAOYSA-N 0 0 453.545 4.295 50 0 JIAARN Cc1nc2ccc(S(=O)(=O)N(CC(=O)N3CCc4ccccc43)Cc3ccccc3)cc2s1 ZINC000009683337 555411281 /nfs/dbraw/zinc/41/12/81/555411281.db2.gz ISYWOULNRJXRSZ-UHFFFAOYSA-N 0 0 477.611 4.385 50 0 JIAARN Cc1nc2ccc(S(=O)(=O)N(CC(=O)NCc3ccccc3C)Cc3ccccc3)cc2s1 ZINC000009683432 555411540 /nfs/dbraw/zinc/41/15/40/555411540.db2.gz AJYKGANLGBWDEI-UHFFFAOYSA-N 0 0 479.627 4.420 50 0 JIAARN CSCC[C@H](NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C)c1nnc2ccccn21 ZINC000009684573 555413333 /nfs/dbraw/zinc/41/33/33/555413333.db2.gz MYNVKSSAGBOORV-HKUYNNGSSA-N 0 0 494.448 4.401 50 0 JIAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000009690818 555417603 /nfs/dbraw/zinc/41/76/03/555417603.db2.gz QYPWYVYPDOIJMP-GOSISDBHSA-N 0 0 493.368 4.250 50 0 JIAARN O=C(Nc1ccc(F)c(Cl)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000009692555 555420493 /nfs/dbraw/zinc/42/04/93/555420493.db2.gz CIKOPSLDBXQIOF-SFHVURJKSA-N 0 0 490.969 4.012 50 0 JIAARN CCOc1ccc(C(=O)Nc2nnc(SCC(=O)NC3CCCCC3)s2)cc1OCC ZINC000009600177 555422204 /nfs/dbraw/zinc/42/22/04/555422204.db2.gz BMJKBTAQAPBOAW-UHFFFAOYSA-N 0 0 464.613 4.129 50 0 JIAARN CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000009698933 555425681 /nfs/dbraw/zinc/42/56/81/555425681.db2.gz PJJVWNOEYPJXBG-UHFFFAOYSA-N 0 0 461.950 4.311 50 0 JIAARN CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)N1CCc2ccccc2C1 ZINC000009699072 555426078 /nfs/dbraw/zinc/42/60/78/555426078.db2.gz QZDWRXVQTZWYRK-UHFFFAOYSA-N 0 0 462.619 4.433 50 0 JIAARN Cc1ccc(CN(C)C(=O)CSc2nnc(-c3cc(Cl)ccc3Cl)n2N)c(C)c1 ZINC000009700594 555427113 /nfs/dbraw/zinc/42/71/13/555427113.db2.gz MMFXHQNKYZPUMZ-UHFFFAOYSA-N 0 0 450.395 4.333 50 0 JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccc(F)cc3)nn2[C@H]1c1cccnc1 ZINC000009602029 555427849 /nfs/dbraw/zinc/42/78/49/555427849.db2.gz RARJIKWROMHQCS-QFIPXVFZSA-N 0 0 456.481 4.415 50 0 JIAARN O=C(CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2)Nc1nc2ccccc2s1 ZINC000009602649 555428558 /nfs/dbraw/zinc/42/85/58/555428558.db2.gz YITHVXZEKOZPKE-UHFFFAOYSA-N 0 0 466.613 4.280 50 0 JIAARN CSc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)o2)c1 ZINC000009707584 555431039 /nfs/dbraw/zinc/43/10/39/555431039.db2.gz KNMSCJAOKKUPOT-UHFFFAOYSA-N 0 0 472.592 4.276 50 0 JIAARN CSc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)o2)cc1 ZINC000009707591 555431066 /nfs/dbraw/zinc/43/10/66/555431066.db2.gz 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COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cccc(O)c5)c(=O)n42)c2ccccc2CC3)c1OC ZINC000009805330 555516962 /nfs/dbraw/zinc/51/69/62/555516962.db2.gz NSORTSDKYXPARM-MKWGYRPRSA-N 0 0 496.588 4.042 50 0 JIAARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CS1)sc1c3nnnc1NCc1ccco1 ZINC000019874326 555524325 /nfs/dbraw/zinc/52/43/25/555524325.db2.gz AMQHKHNFHSKNBX-UHFFFAOYSA-N 0 0 468.608 4.244 50 0 JIAARN O=C(/C=C/c1ccc(Br)o1)NCCc1nnc2c(C(F)(F)F)cc(Cl)cn12 ZINC000013592421 555527187 /nfs/dbraw/zinc/52/71/87/555527187.db2.gz BUYXQQDGOXDPRG-DUXPYHPUSA-N 0 0 463.641 4.129 50 0 JIAARN CCCNC(=O)[C@H](CC(C)C)NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013592671 555527568 /nfs/dbraw/zinc/52/75/68/555527568.db2.gz LSNRMSQONPFZHU-DEOSSOPVSA-N 0 0 486.607 4.322 50 0 JIAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)cc1 ZINC000009829884 555528486 /nfs/dbraw/zinc/52/84/86/555528486.db2.gz PETSUUHZHCKRFW-UHFFFAOYSA-N 0 0 462.527 4.291 50 0 JIAARN CCOc1ccc(-n2c(=O)c3cccnc3nc2SCc2cc(=O)n3cc(Cl)ccc3n2)cc1 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OXEMOOQCTPBECT-UHFFFAOYSA-N 0 0 454.333 4.477 50 0 JIAARN CC(=O)Oc1cc2oc(=O)c(CC(=O)N[C@H](C)Cc3c[nH]c4ccccc34)c(C)c2cc1Cl ZINC000013623804 555538112 /nfs/dbraw/zinc/53/81/12/555538112.db2.gz FIYXCQGFLNXWPU-CYBMUJFWSA-N 0 0 466.921 4.451 50 0 JIAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000009834705 555538997 /nfs/dbraw/zinc/53/89/97/555538997.db2.gz JEKOLKHBEXBUIH-HXUWFJFHSA-N 0 0 491.336 4.365 50 0 JIAARN O=C(CCc1nnc2ccc(NCc3ccc(Cl)cc3)nn21)NCc1ccc(Cl)cc1 ZINC000009835579 555540406 /nfs/dbraw/zinc/54/04/06/555540406.db2.gz KIMWWZRUMFMDBD-UHFFFAOYSA-N 0 0 455.349 4.292 50 0 JIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)s1 ZINC000009836830 555542002 /nfs/dbraw/zinc/54/20/02/555542002.db2.gz MNSJVXQZOFDABQ-MHZLTWQESA-N 0 0 473.598 4.021 50 0 JIAARN Cc1noc(C)c1Cc1ccc(C(=O)N2CCN(Cc3cccc(Br)c3)CC2)o1 ZINC000013641054 555547221 /nfs/dbraw/zinc/54/72/21/555547221.db2.gz ZKBLPQMZDJGSAT-UHFFFAOYSA-N 0 0 458.356 4.196 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)nc(N3NC(C)=C[C@@]3(O)C(F)(F)F)n2)cc1OC ZINC000013642919 555548148 /nfs/dbraw/zinc/54/81/48/555548148.db2.gz DEVCRRONYOCGBW-MRXNPFEDSA-N 0 0 450.339 4.017 50 0 JIAARN Cc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1-c1ccccc1C ZINC000009847266 555548215 /nfs/dbraw/zinc/54/82/15/555548215.db2.gz NBHROANJOFTPJN-UHFFFAOYSA-N 0 0 499.662 4.180 50 0 JIAARN C[C@@H](CC(=O)Nc1cccc(Br)c1)CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000009849670 555551778 /nfs/dbraw/zinc/55/17/78/555551778.db2.gz KDJIAICUAIGIAO-INIZCTEOSA-N 0 0 462.363 4.292 50 0 JIAARN COc1ccc(CCN2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000009850198 555552557 /nfs/dbraw/zinc/55/25/57/555552557.db2.gz YNIUTHLKFLHUJS-QHCPKHFHSA-N 0 0 479.483 4.382 50 0 JIAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009850058 555552661 /nfs/dbraw/zinc/55/26/61/555552661.db2.gz HFFDIPPZMQWUCF-HSZRJFAPSA-N 0 0 477.492 4.209 50 0 JIAARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(=O)CC)cc2)c1 ZINC000009851081 555554140 /nfs/dbraw/zinc/55/41/40/555554140.db2.gz GSUMFYCBIXFJTH-UHFFFAOYSA-N 0 0 458.609 4.215 50 0 JIAARN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(CN2CCOCC2)cc1 ZINC000019938186 555555750 /nfs/dbraw/zinc/55/57/50/555555750.db2.gz VRUPBUVZLPMGLT-XBXARRHUSA-N 0 0 450.391 4.352 50 0 aggregator JIAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(C)ccc32)cc1OC ZINC000009855693 555555852 /nfs/dbraw/zinc/55/58/52/555555852.db2.gz MKPXHSWCZDBAHJ-UHFFFAOYSA-N 0 0 474.488 4.336 50 0 JIAARN CCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccccc1 ZINC000009856756 555557285 /nfs/dbraw/zinc/55/72/85/555557285.db2.gz YAKPBXGOSUJFGJ-UHFFFAOYSA-N 0 0 460.555 4.344 50 0 JIAARN Cc1ccc(C(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000019939383 555557554 /nfs/dbraw/zinc/55/75/54/555557554.db2.gz PZYLDOPQYSARIS-XMMPIXPASA-N 0 0 451.448 4.473 50 0 JIAARN COc1ccccc1NC(=O)Cn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(Cl)ccc21 ZINC000009857219 555558340 /nfs/dbraw/zinc/55/83/40/555558340.db2.gz PTCPKYXJBRQKKC-UHFFFAOYSA-N 0 0 496.972 4.443 50 0 JIAARN Cn1c(=O)c2c3c(sc2nc1SCc1cc(=O)n2nc(-c4cccs4)sc2n1)CCCC3 ZINC000009858691 555560163 /nfs/dbraw/zinc/56/01/63/555560163.db2.gz ZZCDFDRKXKASPY-UHFFFAOYSA-N 0 0 499.668 4.359 50 0 JIAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(OC)cc1)cn2Cc1cccc(OC)c1 ZINC000009859006 555560739 /nfs/dbraw/zinc/56/07/39/555560739.db2.gz OYRWTYMONPBCDM-UHFFFAOYSA-N 0 0 479.554 4.299 50 0 JIAARN CC1(C)Cc2c3c(nc(-c4ccco4)c2CO1)sc1c3ncnc1NCCN1CCOCC1 ZINC000019947423 555563808 /nfs/dbraw/zinc/56/38/08/555563808.db2.gz KALROTYDUKRSSG-UHFFFAOYSA-N 0 0 465.579 4.095 50 0 JIAARN O=C(COc1ccccc1)Nc1cc2c(cc1C(=O)c1ccccc1Br)OCCO2 ZINC000009972087 555571105 /nfs/dbraw/zinc/57/11/05/555571105.db2.gz CRFZFTDBYCGNTR-UHFFFAOYSA-N 0 0 468.303 4.469 50 0 JIAARN O=c1c2ccc3c(c2oc(C(F)(F)F)c1-c1ccc(Cl)cc1)CN([C@@H]1CCS(=O)(=O)C1)CO3 ZINC000013688247 555581471 /nfs/dbraw/zinc/58/14/71/555581471.db2.gz TZKFGZGZYXZRHK-CQSZACIVSA-N 0 0 499.894 4.471 50 0 JIAARN CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000009981144 555581597 /nfs/dbraw/zinc/58/15/97/555581597.db2.gz HJYJKBFGDKEHRY-UHFFFAOYSA-N 0 0 470.547 4.126 50 0 JIAARN COCCN1COc2ccc3c(=O)c(Oc4ccc(C(=O)OC)cc4)c(C(F)(F)F)oc3c2C1 ZINC000013690047 555583857 /nfs/dbraw/zinc/58/38/57/555583857.db2.gz DQLKFOMNJJTYJM-UHFFFAOYSA-N 0 0 479.407 4.189 50 0 biogenic JIAARN O=C(NCc1ccccc1)C(=Cc1ccc(O)c(Br)c1)C(=O)NCc1ccccc1 ZINC000009987832 555586560 /nfs/dbraw/zinc/58/65/60/555586560.db2.gz PMJCWSMSHLUAJG-UHFFFAOYSA-N 0 0 465.347 4.171 50 0 JIAARN Cc1[nH]c2ccccc2c1CCNC(=O)C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000013692289 555586856 /nfs/dbraw/zinc/58/68/56/555586856.db2.gz SNBSTDIURUTLTG-UHFFFAOYSA-N 0 0 468.395 4.450 50 0 JIAARN COC(=O)c1ccc(Oc2c(C)oc3c(ccc4c3CN(Cc3ccccn3)CO4)c2=O)cc1 ZINC000013693495 555588560 /nfs/dbraw/zinc/58/85/60/555588560.db2.gz KOCUUVHTJYLEAO-UHFFFAOYSA-N 0 0 458.470 4.427 50 0 JIAARN CC(C)CCC[C@@H](C)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O ZINC000013719186 555595424 /nfs/dbraw/zinc/59/54/24/555595424.db2.gz TUDRWKWNHNCFQK-IERDGZPVSA-N 0 0 461.006 4.395 50 0 JIAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)OCc1nnc(-c2ccccc2)o1 ZINC000010021520 555596478 /nfs/dbraw/zinc/59/64/78/555596478.db2.gz LZNYWWPNNGAHKN-NTCAYCPXSA-N 0 0 467.547 4.058 50 0 JIAARN CCCCCn1nc(C(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c2ccccc2c1=O ZINC000010021672 555597116 /nfs/dbraw/zinc/59/71/16/555597116.db2.gz DHOUUCKGDACTMQ-UHFFFAOYSA-N 0 0 487.560 4.185 50 0 JIAARN O=C([C@@H]1CCCO1)N1CCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c32)CC1 ZINC000010022277 555598052 /nfs/dbraw/zinc/59/80/52/555598052.db2.gz ANYTXOVYBXNFEM-NRFANRHFSA-N 0 0 471.586 4.248 50 0 JIAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 ZINC000010023842 555598721 /nfs/dbraw/zinc/59/87/21/555598721.db2.gz CDRFXHVSCBDJQJ-OAQYLSRUSA-N 0 0 497.979 4.462 50 0 JIAARN CCCCN1C(=O)C[C@H](C(=O)Nc2cc(OC)c(OC)c(OC)c2)[C@@H]1c1cccc(OC)c1OC ZINC000013723574 555599134 /nfs/dbraw/zinc/59/91/34/555599134.db2.gz OYHFNGWLMRUUEI-MBSDFSHPSA-N 0 0 486.565 4.058 50 0 JIAARN O=C(c1cc2cc(F)ccc2s1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000010027604 555599902 /nfs/dbraw/zinc/59/99/02/555599902.db2.gz KKVSOZAOBSKBRF-UHFFFAOYSA-N 0 0 468.941 4.202 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2Cl)c2ccc(F)cc2)cc1OC ZINC000010034893 555601912 /nfs/dbraw/zinc/60/19/12/555601912.db2.gz DPGSZWCRCYBNGI-UHFFFAOYSA-N 0 0 492.956 4.008 50 0 JIAARN Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(ncn(CC(=O)Nc4nccs4)c3=O)c21 ZINC000013735722 555605730 /nfs/dbraw/zinc/60/57/30/555605730.db2.gz XTYIGVLBTFRSAQ-UHFFFAOYSA-N 0 0 468.951 4.125 50 0 JIAARN CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4nc(-c5ccccc5C)nn4c3=O)o2)cc1 ZINC000013748903 555608053 /nfs/dbraw/zinc/60/80/53/555608053.db2.gz QYCOGRJNQXEPKY-STZFKDTASA-N 0 0 457.511 4.111 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1OC ZINC000010059463 555610177 /nfs/dbraw/zinc/61/01/77/555610177.db2.gz UQCFCPXXWYWVEO-CYBMUJFWSA-N 0 0 473.378 4.050 50 0 JIAARN CCCCc1nc2sc3c(nc(SC)nc3N(C[C@@H](C)O)C[C@H](C)O)c2c2c1CCC2 ZINC000013770365 555614254 /nfs/dbraw/zinc/61/42/54/555614254.db2.gz FBHHUEANEMSBFT-OKILXGFUSA-N 0 0 460.669 4.361 50 0 JIAARN C[C@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)OCc2ccccc2)[C@H]3C1=O ZINC000013770038 555614283 /nfs/dbraw/zinc/61/42/83/555614283.db2.gz WKGYIJPAKTYYHC-UWDRIRIBSA-N 0 0 468.347 4.036 50 0 JIAARN Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c(C)c1 ZINC000010068504 555614380 /nfs/dbraw/zinc/61/43/80/555614380.db2.gz NJAYNROUBKSYAI-GOSISDBHSA-N 0 0 455.532 4.363 50 0 JIAARN O=C(CSc1nc2ncccn2n1)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000010074389 555614912 /nfs/dbraw/zinc/61/49/12/555614912.db2.gz FKWKNDPOIGFNPX-UHFFFAOYSA-N 0 0 451.571 4.353 50 0 JIAARN Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(CCCc2ccccc2)c4=O)cc1Cl ZINC000010104844 555618158 /nfs/dbraw/zinc/61/81/58/555618158.db2.gz XAVHUOQGUUJERE-UHFFFAOYSA-N 0 0 463.969 4.033 50 0 JIAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000013838412 555630649 /nfs/dbraw/zinc/63/06/49/555630649.db2.gz AGGKMBVIKMOHGN-NDEPHWFRSA-N 0 0 464.569 4.370 50 0 JIAARN COc1ccc([C@H]2CC(=O)c3c(C)nc(N4CCN(c5ccc(F)cc5)CC4)nc3C2)c(OC)c1 ZINC000020101535 555634101 /nfs/dbraw/zinc/63/41/01/555634101.db2.gz MZCYRVOMOPZJEH-GOSISDBHSA-N 0 0 476.552 4.181 50 0 JIAARN Cc1ccccc1CNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000020102961 555635229 /nfs/dbraw/zinc/63/52/29/555635229.db2.gz RUDNJPCMOURIHC-UHFFFAOYSA-N 0 0 473.392 4.269 50 0 JIAARN O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000010131911 555635475 /nfs/dbraw/zinc/63/54/75/555635475.db2.gz YJKYOCRHEJGCFV-UHFFFAOYSA-N 0 0 452.230 4.330 50 0 JIAARN O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1ccccc1C(F)(F)F ZINC000010131910 555635487 /nfs/dbraw/zinc/63/54/87/555635487.db2.gz UUYCZKJJOLJQID-UHFFFAOYSA-N 0 0 452.230 4.330 50 0 JIAARN O=C(Cc1c[nH]c2ccccc12)N(C[C@@H]1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1 ZINC000010131279 555635520 /nfs/dbraw/zinc/63/55/20/555635520.db2.gz INHTVBLSAFUBDZ-QFIPXVFZSA-N 0 0 451.611 4.480 50 0 JIAARN CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)cc1 ZINC000013857180 555635822 /nfs/dbraw/zinc/63/58/22/555635822.db2.gz MBROZDRSPUBFLJ-UHFFFAOYSA-N 0 0 479.485 4.432 50 0 JIAARN COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(Br)cc1F)S(C)(=O)=O ZINC000013858201 555636404 /nfs/dbraw/zinc/63/64/04/555636404.db2.gz BMETUCXNCJYJMU-JTQLQIEISA-N 0 0 479.755 4.043 50 0 JIAARN COc1cccc(C(=O)N2CCN(c3nc4ccc(Br)cc4s3)CC2)c1OC ZINC000010166305 555639063 /nfs/dbraw/zinc/63/90/63/555639063.db2.gz PLMQDGCVERTKNN-UHFFFAOYSA-N 0 0 462.369 4.038 50 0 JIAARN O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010187161 555642462 /nfs/dbraw/zinc/64/24/62/555642462.db2.gz FZISNDJFSVFVER-CQSZACIVSA-N 0 0 453.998 4.317 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1OC 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ZINC000020573873 555825969 /nfs/dbraw/zinc/82/59/69/555825969.db2.gz OEYJYIPCAOVNAH-AREMUKBSSA-N 0 0 457.555 4.222 50 0 JIAARN Cc1cccc(NC(=O)CN2c3ccccc3[C@@]3(SCC(=O)N3c3cccc(F)c3)C2=O)c1 ZINC000020573987 555826872 /nfs/dbraw/zinc/82/68/72/555826872.db2.gz SZKWVCFDOPRSRW-RUZDIDTESA-N 0 0 461.518 4.052 50 0 JIAARN COc1ccc(CN(Cc2cccnc2)C(=O)Cc2ccsc2)cc1OC[C@@H]1CCOC1 ZINC000011791084 555827210 /nfs/dbraw/zinc/82/72/10/555827210.db2.gz RYIRBRUDMVNODT-JOCHJYFZSA-N 0 0 452.576 4.339 50 0 JIAARN O=C(CN1C(=O)[C@]2(SCC(=O)N2c2ccc(Cl)cc2)c2ccccc21)Nc1ccc(F)cc1 ZINC000020574100 555827387 /nfs/dbraw/zinc/82/73/87/555827387.db2.gz BKERNLSIBOJCHR-XMMPIXPASA-N 0 0 481.936 4.397 50 0 JIAARN COc1ccc(NC(=O)CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(Cl)cc3)C2=O)cc1 ZINC000020574095 555827389 /nfs/dbraw/zinc/82/73/89/555827389.db2.gz ZGMOKPJLMZDECD-VWLOTQADSA-N 0 0 493.972 4.267 50 0 JIAARN Cc1ccc(C)c(NC(=O)CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccc(F)cc3)C2=O)c1 ZINC000020574078 555827398 /nfs/dbraw/zinc/82/73/98/555827398.db2.gz KWUXTFLEJJUJFO-AREMUKBSSA-N 0 0 475.545 4.361 50 0 JIAARN COc1cc(CN(Cc2ccncc2)C(=O)[C@H]2CCCO2)ccc1OC1Cc2ccccc2C1 ZINC000011791238 555827517 /nfs/dbraw/zinc/82/75/17/555827517.db2.gz XILXFRMIBHRZHX-AREMUKBSSA-N 0 0 458.558 4.344 50 0 JIAARN COc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CC(=O)Nc2cccc(Cl)c2)C3=O)cc1 ZINC000020574200 555828222 /nfs/dbraw/zinc/82/82/22/555828222.db2.gz INVVQEQALBVIMG-VWLOTQADSA-N 0 0 493.972 4.267 50 0 JIAARN COc1ccc(C[C@]2(CCC(=O)NCc3ccccc3C(F)(F)F)CCC(=O)N2)c(F)c1 ZINC000011814143 555829590 /nfs/dbraw/zinc/82/95/90/555829590.db2.gz MCOAJBJBYQWKEJ-QFIPXVFZSA-N 0 0 452.448 4.141 50 0 JIAARN COCCn1c2ncc(NC[C@@H]3CC=CCC3)cc2c(NC(=O)c2ccco2)c1C(=O)OC ZINC000014540819 555831103 /nfs/dbraw/zinc/83/11/03/555831103.db2.gz QCXRCRUXMGKQME-MRXNPFEDSA-N 0 0 452.511 4.083 50 0 JIAARN CC[C@@H]1c2cccn2CCN1C(=O)C[C@]1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O ZINC000011839925 555832865 /nfs/dbraw/zinc/83/28/65/555832865.db2.gz XKPQDIIXGIGPKC-AJTFRIOCSA-N 0 0 465.569 4.340 50 0 JIAARN COc1cccc(C(=O)c2cn(CC(=O)Nc3cc(C)ccc3C)c3nc(C)ccc3c2=O)c1 ZINC000020579719 555834507 /nfs/dbraw/zinc/83/45/07/555834507.db2.gz QVAJVHMVWIEUCM-UHFFFAOYSA-N 0 0 455.514 4.200 50 0 JIAARN CSc1ccc(C[C@]2(CCC(=O)NCCc3nc4cc(Cl)ccc4[nH]3)CCC(=O)N2)cc1 ZINC000011841883 555834556 /nfs/dbraw/zinc/83/45/56/555834556.db2.gz IEMWSEGFUNAWAB-DEOSSOPVSA-N 0 0 471.026 4.269 50 0 JIAARN CCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)cc1 ZINC000020581934 555835168 /nfs/dbraw/zinc/83/51/68/555835168.db2.gz KFPWHKWZNNFORJ-UHFFFAOYSA-N 0 0 483.634 4.247 50 0 JIAARN CN1c2ccccc2-c2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)ncc2S1(=O)=O ZINC000020582668 555835696 /nfs/dbraw/zinc/83/56/96/555835696.db2.gz BJMMVLKJNWPOJE-UHFFFAOYSA-N 0 0 480.493 4.032 50 0 JIAARN Cc1cc2nc(CSc3nc4ccc(NC(=O)c5ccc6c(c5)OCO6)cc4s3)cc(=O)n2o1 ZINC000020583411 555837223 /nfs/dbraw/zinc/83/72/23/555837223.db2.gz KMZKMPCGRZJXIL-UHFFFAOYSA-N 0 0 492.538 4.479 50 0 JIAARN Cc1coc2c1cc1c(C)c(CCC(=O)N3CCN(CCc4ccccn4)CC3)c(=O)oc1c2C ZINC000020592324 555838641 /nfs/dbraw/zinc/83/86/41/555838641.db2.gz YAVUWNXWPKRDGN-UHFFFAOYSA-N 0 0 473.573 4.179 50 0 JIAARN O=C1[C@@H]2[C@H](c3cccs3)N(c3ccc(Cl)cc3)O[C@@H]2C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000011859581 555838930 /nfs/dbraw/zinc/83/89/30/555838930.db2.gz KWYHBBKNDPGSTP-VJBWXMMDSA-N 0 0 495.988 4.289 50 0 JIAARN CCc1c(C)sc(NC(=O)Cn2nc(C)c3c2nc(C)cc3C(F)(F)F)c1C(=O)OC ZINC000020602207 555842842 /nfs/dbraw/zinc/84/28/42/555842842.db2.gz WGBKSLVVUIFAIV-UHFFFAOYSA-N 0 0 454.474 4.425 50 0 JIAARN O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)N1CCC(Sc2ccc(F)cc2)CC1 ZINC000014998612 555842896 /nfs/dbraw/zinc/84/28/96/555842896.db2.gz YTFPJMONDZADET-AREMUKBSSA-N 0 0 484.593 4.309 50 0 JIAARN O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)N1CCC(Sc2ccc(F)cc2)CC1 ZINC000014998615 555842963 /nfs/dbraw/zinc/84/29/63/555842963.db2.gz YTFPJMONDZADET-SANMLTNESA-N 0 0 484.593 4.309 50 0 JIAARN Cc1c2ccc(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000011866939 555843143 /nfs/dbraw/zinc/84/31/43/555843143.db2.gz GBHPWWJUMFPQSY-KMRXNPHXSA-N 0 0 461.558 4.225 50 0 biogenic JIAARN Cc1c2ccc(OCc3ccccc3)cc2oc(=O)c1CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000011867108 555843929 /nfs/dbraw/zinc/84/39/29/555843929.db2.gz RSBLEVQCACWQDW-RBTNQOKQSA-N 0 0 461.558 4.377 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2cc3oc(=O)c(C)c(C)c3cc2Cl)C(C)C)cc1 ZINC000011867559 555844917 /nfs/dbraw/zinc/84/49/17/555844917.db2.gz PDQRWTZTJLGKJW-NRFANRHFSA-N 0 0 477.966 4.280 50 0 JIAARN O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000020645605 555846927 /nfs/dbraw/zinc/84/69/27/555846927.db2.gz MDRRUAZZOOHJOD-UHFFFAOYSA-N 0 0 497.064 4.477 50 0 JIAARN COCCC(=O)Nc1cc(C(=O)N2CCOc3ccccc3C2)cc2nc(-c3ccccc3)n(C)c21 ZINC000015003101 555848274 /nfs/dbraw/zinc/84/82/74/555848274.db2.gz GOUAWGNVBNDETN-UHFFFAOYSA-N 0 0 484.556 4.250 50 0 JIAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(n2c([C@@H]3CCCO3)nc3cccnc32)CC1 ZINC000011880186 555848279 /nfs/dbraw/zinc/84/82/79/555848279.db2.gz XVOPKTCJXIKSGX-IBGZPJMESA-N 0 0 496.511 4.207 50 0 JIAARN COc1cc(C)ccc1OCCOc1ccc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)cc1Cl ZINC000020895998 555848878 /nfs/dbraw/zinc/84/88/78/555848878.db2.gz DRKWQMBVEKGARR-NRFANRHFSA-N 0 0 477.970 4.116 50 0 JIAARN Cc1ccccc1C(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(C(C)C)sc2n1 ZINC000021016784 555849161 /nfs/dbraw/zinc/84/91/61/555849161.db2.gz WGQULPIIGRZPMK-UHFFFAOYSA-N 0 0 462.531 4.192 50 0 JIAARN COc1ccc(-c2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011906920 555854975 /nfs/dbraw/zinc/85/49/75/555854975.db2.gz DCSSCIWYUKJUBP-QFIPXVFZSA-N 0 0 494.617 4.161 50 0 JIAARN Cc1ccc(OCC(=O)Nc2ccccc2SCc2cc(=O)n3c(ncn3C(C)C)n2)c(C)c1 ZINC000021797269 555856276 /nfs/dbraw/zinc/85/62/76/555856276.db2.gz FJFKDSMSIKSGSR-UHFFFAOYSA-N 0 0 477.590 4.399 50 0 JIAARN Cc1cccc(C(=O)N2CCC([C@]3(CCC(C)C)NC(=O)N(Cc4ccccn4)C3=O)CC2)c1 ZINC000011909405 555856296 /nfs/dbraw/zinc/85/62/96/555856296.db2.gz FFVCNFOJKOKLFY-MHZLTWQESA-N 0 0 462.594 4.169 50 0 JIAARN CCN(Cc1ccccc1)C(=O)C[C@]1(c2ccccc2C)CC(=O)N(Cc2cccnc2)C1=O ZINC000011912465 555861316 /nfs/dbraw/zinc/86/13/16/555861316.db2.gz KLYNUVRMWIRPCZ-MUUNZHRXSA-N 0 0 455.558 4.026 50 0 JIAARN C[C@@H](Cc1ccccn1)NC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 ZINC000011913119 555862811 /nfs/dbraw/zinc/86/28/11/555862811.db2.gz MCGNCFJXXUGPIL-KRWDZBQOSA-N 0 0 450.546 4.061 50 0 JIAARN CCCCOc1ccccc1C(=O)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 ZINC000011914052 555864348 /nfs/dbraw/zinc/86/43/48/555864348.db2.gz GLZFDWMKIMYONH-HNNXBMFYSA-N 0 0 470.385 4.051 50 0 JIAARN CCOc1cc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)ccc1OCCC(C)C ZINC000011914084 555864729 /nfs/dbraw/zinc/86/47/29/555864729.db2.gz AAABDJCNMCHQPN-AREMUKBSSA-N 0 0 479.577 4.452 50 0 JIAARN CCc1ccc(CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011914664 555865204 /nfs/dbraw/zinc/86/52/04/555865204.db2.gz NPYSVFANJQEVIJ-HXUWFJFHSA-N 0 0 458.967 4.387 50 0 JIAARN CS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccccc2)c(C(=O)Nc2ccccc2F)n1 ZINC000011916998 555867904 /nfs/dbraw/zinc/86/79/04/555867904.db2.gz GBOFKCVOCMUZCH-UHFFFAOYSA-N 0 0 480.521 4.071 50 0 JIAARN COc1cc(OC)c(C2=CCN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)CC2)c(OC)c1 ZINC000011919043 555869222 /nfs/dbraw/zinc/86/92/22/555869222.db2.gz BVJDWCLAEYGVMD-OAQYLSRUSA-N 0 0 488.993 4.485 50 0 JIAARN O=S1(=O)CC[C@@H](NCc2cc3cc4c(cc3nc2OCc2ccccc2Cl)CCC4)C1 ZINC000015070215 555869773 /nfs/dbraw/zinc/86/97/73/555869773.db2.gz ZUGSPWYHCUQYPS-OAQYLSRUSA-N 0 0 456.995 4.233 50 0 JIAARN CCCCc1c(-c2ccccc2)n(-c2ccc(Cl)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000015081242 555872672 /nfs/dbraw/zinc/87/26/72/555872672.db2.gz QEKNXSREHIWTFV-UHFFFAOYSA-N 0 0 461.953 4.339 50 0 JIAARN Cc1ccc(F)cc1CNC(=O)c1cc2nc(C3CCC3)n(C)c2c(NC(=O)[C@@H]2CCCO2)c1 ZINC000011969556 555873332 /nfs/dbraw/zinc/87/33/32/555873332.db2.gz IZNHFJYDMARHTL-QFIPXVFZSA-N 0 0 464.541 4.336 50 0 JIAARN Cc1ncc2c(c1CNC(=O)c1ccc3c(c1)OCO3)CCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000011972237 555874290 /nfs/dbraw/zinc/87/42/90/555874290.db2.gz OQVIOTBNPDSIBU-UHFFFAOYSA-N 0 0 479.536 4.400 50 0 JIAARN CCOc1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)cc1S(=O)(=O)N(C)C ZINC000015095166 555876377 /nfs/dbraw/zinc/87/63/77/555876377.db2.gz NEMFHBAFAMOHBH-UHFFFAOYSA-N 0 0 466.650 4.457 50 0 JIAARN CCCNC(=O)CSc1nnc(SCC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)s1 ZINC000022132110 555880115 /nfs/dbraw/zinc/88/01/15/555880115.db2.gz NVSPCGNHQSZBID-UHFFFAOYSA-N 0 0 490.676 4.069 50 0 JIAARN COc1ccc(C[C@@]2(CCC(=O)NCc3ccc(C(F)(F)F)cc3F)CCC(=O)N2)cc1 ZINC000011998942 555881747 /nfs/dbraw/zinc/88/17/47/555881747.db2.gz SYUZDVFHWNTTQX-JOCHJYFZSA-N 0 0 452.448 4.141 50 0 JIAARN COc1ccc(C[C@]2(CCC(=O)NCc3ccc(C(F)(F)F)cc3F)CCC(=O)N2)cc1 ZINC000011998948 555881777 /nfs/dbraw/zinc/88/17/77/555881777.db2.gz SYUZDVFHWNTTQX-QFIPXVFZSA-N 0 0 452.448 4.141 50 0 JIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000015180176 555882084 /nfs/dbraw/zinc/88/20/84/555882084.db2.gz PBDCWGMEPKFQHV-UHFFFAOYSA-N 0 0 451.397 4.163 50 0 JIAARN Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(C(=O)c2cccs2)CC3)c1 ZINC000012020091 555885199 /nfs/dbraw/zinc/88/51/99/555885199.db2.gz NMFSUTJLIJMFQR-FQEVSTJZSA-N 0 0 465.623 4.172 50 0 JIAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 ZINC000015221775 555885494 /nfs/dbraw/zinc/88/54/94/555885494.db2.gz WURTZFFDMKGGKV-INIZCTEOSA-N 0 0 464.971 4.007 50 0 JIAARN COc1ccc(OC)c(CC(=O)NCc2nnc(SCCc3ccccc3)n2CC(C)C)c1 ZINC000012035836 555889157 /nfs/dbraw/zinc/88/91/57/555889157.db2.gz WDDYZGPJCHLTFN-UHFFFAOYSA-N 0 0 468.623 4.145 50 0 JIAARN Cc1oc(-c2ccccc2NC(=O)c2ccccc2)nc1CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000012040348 555892958 /nfs/dbraw/zinc/89/29/58/555892958.db2.gz GDTRRBQWGCKEJX-HXUWFJFHSA-N 0 0 474.561 4.023 50 0 JIAARN COc1ccc(OC)c(C(=O)N(Cc2cccc(OC3CCCC3)c2)[C@H]2CCCCNC2=O)c1 ZINC000012041242 555893736 /nfs/dbraw/zinc/89/37/36/555893736.db2.gz FIAQXFUSVSAGFX-DEOSSOPVSA-N 0 0 466.578 4.336 50 0 JIAARN O=C1C[C@H](N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc(F)c1 ZINC000015307054 555895516 /nfs/dbraw/zinc/89/55/16/555895516.db2.gz IXLIHQAFPPBBBA-VWLOTQADSA-N 0 0 458.533 4.106 50 0 JIAARN CCn1c2ccccc2n(CCC(=O)Nc2nc(-c3ccc([C@@H](C)NC(C)=O)cc3)cs2)c1=O ZINC000012050438 555895626 /nfs/dbraw/zinc/89/56/26/555895626.db2.gz YLUVZNRSDRFVJV-MRXNPFEDSA-N 0 0 477.590 4.172 50 0 JIAARN CC(=O)c1ccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)C=Cc3cccs3)C2)cc1 ZINC000012051682 555896312 /nfs/dbraw/zinc/89/63/12/555896312.db2.gz BDHXNSGVUVPUKT-MDZDMXLPSA-N 0 0 459.571 4.182 50 0 JIAARN O=C(C[C@@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O)N1CCCC[C@H]1c1nccs1 ZINC000012053516 555897215 /nfs/dbraw/zinc/89/72/15/555897215.db2.gz JNMSXUQYWFGYGD-LVXARBLLSA-N 0 0 492.576 4.018 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccs2)cc1 ZINC000015320270 555897774 /nfs/dbraw/zinc/89/77/74/555897774.db2.gz MJNZVNUKMRAMGM-NRFANRHFSA-N 0 0 495.532 4.430 50 0 JIAARN COc1ccc(C[C@]2(CCC(=O)N3CCCC[C@@H]3c3nc4ccccc4[nH]3)CCC(=O)N2)cc1 ZINC000012054901 555897857 /nfs/dbraw/zinc/89/78/57/555897857.db2.gz SJKLFFBUIZVFNU-YIXXDRMTSA-N 0 0 460.578 4.297 50 0 JIAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000015366019 555901297 /nfs/dbraw/zinc/90/12/97/555901297.db2.gz ALGIWHKSTOBONV-UHFFFAOYSA-N 0 0 496.589 4.327 50 0 JIAARN Cc1cc(C)cc(NC(=O)COc2cccc3ccc(N4CCN(C(=O)c5ccco5)CC4)nc32)c1 ZINC000015390676 555902264 /nfs/dbraw/zinc/90/22/64/555902264.db2.gz OICYEWPHNJTAIU-UHFFFAOYSA-N 0 0 484.556 4.425 50 0 JIAARN O=C(CSc1nnc(NC(=O)c2ccc3ccccc3c2)s1)Nc1ccc2c(c1)OCCO2 ZINC000012080608 555903637 /nfs/dbraw/zinc/90/36/37/555903637.db2.gz FWCKPDDZIXTZKY-UHFFFAOYSA-N 0 0 478.555 4.446 50 0 JIAARN CCOC(=O)C1CCN(C(=O)c2cc(NC(C)=O)cc3nc(-c4cccc(OC)c4)n(CC)c32)CC1 ZINC000012098123 555905003 /nfs/dbraw/zinc/90/50/03/555905003.db2.gz 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CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(c2ccccc2F)C1=O ZINC000016570881 556143303 /nfs/dbraw/zinc/14/33/03/556143303.db2.gz PHMKVSFXNCEAMP-UHFFFAOYSA-O 0 0 487.486 4.038 50 0 JIAARN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1ccc(-c2ccnc(C)n2)cc1 ZINC000024646302 556143719 /nfs/dbraw/zinc/14/37/19/556143719.db2.gz LUMMBXHDPMMVCZ-UHFFFAOYSA-N 0 0 472.570 4.491 50 0 JIAARN Cc1c2cc(Br)ccc2oc1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000012926809 556144885 /nfs/dbraw/zinc/14/48/85/556144885.db2.gz ZNHQFKWYAMILPU-UHFFFAOYSA-N 0 0 474.330 4.039 50 0 JIAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(N5CCCC5=O)cc4)cc3C2=O)cc1 ZINC000012927051 556145279 /nfs/dbraw/zinc/14/52/79/556145279.db2.gz DOHXWLLOJNTERV-UHFFFAOYSA-N 0 0 469.497 4.265 50 0 JIAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000016591383 556145546 /nfs/dbraw/zinc/14/55/46/556145546.db2.gz BSFMLGRHEWZPKD-MRXNPFEDSA-N 0 0 458.550 4.005 50 0 JIAARN CCOc1ccccc1NC(=O)Nc1ccc([C@@H]2NC(=S)N(CC)C(C)=C2C(=O)OC)cc1 ZINC000016610702 556146734 /nfs/dbraw/zinc/14/67/34/556146734.db2.gz NALHULFRMFMPTM-NRFANRHFSA-N 0 0 468.579 4.427 50 0 JIAARN CCOc1ccc(NC(=O)Nc2cccc([C@H]3NC(=S)N(CC)C(C)=C3C(=O)OC)c2)cc1 ZINC000016611186 556147791 /nfs/dbraw/zinc/14/77/91/556147791.db2.gz YMWVTMGIFIRESQ-OAQYLSRUSA-N 0 0 468.579 4.427 50 0 JIAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCc2cnn(Cc3ccccc3)c2)cc1 ZINC000024749940 556148645 /nfs/dbraw/zinc/14/86/45/556148645.db2.gz JJGURWICRFBQDP-UHFFFAOYSA-N 0 0 491.569 4.122 50 0 JIAARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCCOc1ccc(S(N)(=O)=O)cc1 ZINC000024764944 556152505 /nfs/dbraw/zinc/15/25/05/556152505.db2.gz JWMLXUHZCUQZMR-UHFFFAOYSA-N 0 0 459.515 4.284 50 0 JIAARN C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Br)c2ccccc2S1 ZINC000012941664 556154858 /nfs/dbraw/zinc/15/48/58/556154858.db2.gz HORZBGXNWUZYBX-ZDUSSCGKSA-N 0 0 469.426 4.231 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 ZINC000012943636 556155875 /nfs/dbraw/zinc/15/58/75/556155875.db2.gz 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Cc1cc(-c2cc(C(=O)N3CCN(CCOc4ccccc4)CC3)c3c(C)noc3n2)c(C)o1 ZINC000024894991 556162514 /nfs/dbraw/zinc/16/25/14/556162514.db2.gz XYCTYVKFLSXECJ-UHFFFAOYSA-N 0 0 460.534 4.245 50 0 JIAARN O=C(c1cc2c(c(Cl)c1)OCO2)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024920137 556163148 /nfs/dbraw/zinc/16/31/48/556163148.db2.gz RXYNCEDTEJCPJA-UHFFFAOYSA-N 0 0 459.930 4.289 50 0 JIAARN O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024920909 556163166 /nfs/dbraw/zinc/16/31/66/556163166.db2.gz FMNFQJFEYPEHQP-NRFANRHFSA-N 0 0 457.958 4.251 50 0 JIAARN O=C(Nc1cccc2ncccc21)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000012971666 556163499 /nfs/dbraw/zinc/16/34/99/556163499.db2.gz WBMNRWKJMMPVBO-OAHLLOKOSA-N 0 0 474.380 4.037 50 0 JIAARN C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](CCCc2ccccc2)c2ccccc2)C1=O ZINC000012973089 556164646 /nfs/dbraw/zinc/16/46/46/556164646.db2.gz UVUXCTLXXKKSIB-UFHPHHKVSA-N 0 0 473.548 4.473 50 0 JIAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Cc1c(Cl)cccc1Cl 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CNc1nnc(SCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)s1 ZINC000012980671 556173594 /nfs/dbraw/zinc/17/35/94/556173594.db2.gz SXWOFYUVLSVCAX-QGZVFWFLSA-N 0 0 453.593 4.110 50 0 JIAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3C[C@H](O)COc3ccccc3)CC2=O)c1 ZINC000016902700 556173798 /nfs/dbraw/zinc/17/37/98/556173798.db2.gz FSIXFDIGLAWQAQ-FPOVZHCZSA-N 0 0 457.530 4.005 50 0 JIAARN COc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000016903039 556175343 /nfs/dbraw/zinc/17/53/43/556175343.db2.gz BBOVCJAFAYZIMD-UNMCSNQZSA-N 0 0 471.557 4.314 50 0 JIAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000012982370 556175858 /nfs/dbraw/zinc/17/58/58/556175858.db2.gz FSWKRNHTAKKXBM-UHFFFAOYSA-N 0 0 472.950 4.184 50 0 JIAARN C[C@@]1(CSc2ccccc2C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)NC(=O)NC1=O ZINC000025056522 556176146 /nfs/dbraw/zinc/17/61/46/556176146.db2.gz YNMZUFYKWMGESL-OWJWWREXSA-N 0 0 480.615 4.006 50 0 JIAARN Cn1c(=O)c2cc(-c3ccccc3)sc2nc1SCc1nc(CNC(=O)c2ccccc2)no1 ZINC000025058716 556176743 /nfs/dbraw/zinc/17/67/43/556176743.db2.gz BYURODWQXGDDDZ-UHFFFAOYSA-N 0 0 489.582 4.267 50 0 JIAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000012983976 556177265 /nfs/dbraw/zinc/17/72/65/556177265.db2.gz BYLULHBRKAAUJB-UHFFFAOYSA-N 0 0 474.521 4.119 50 0 JIAARN COc1ccc(-c2csc(NC(=O)CCc3c(C)nc4nc(SC)nn4c3C)n2)cc1 ZINC000012985445 556179020 /nfs/dbraw/zinc/17/90/20/556179020.db2.gz UUNKIFKQGFBCIU-UHFFFAOYSA-N 0 0 454.581 4.166 50 0 JIAARN Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)c(Cl)cc12 ZINC000025122084 556180066 /nfs/dbraw/zinc/18/00/66/556180066.db2.gz WJRSMFFCAZUCGS-GOSISDBHSA-N 0 0 455.894 4.269 50 0 JIAARN CC(C)(C)c1ccc(-c2ccnc3nc(N4CCN(C(=O)c5ccccc5F)CC4)nn32)cc1 ZINC000025142481 556181613 /nfs/dbraw/zinc/18/16/13/556181613.db2.gz IKLDZOBXYNWBNG-UHFFFAOYSA-N 0 0 458.541 4.190 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CCCSc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 ZINC000016944358 556182194 /nfs/dbraw/zinc/18/21/94/556182194.db2.gz 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4.325 50 0 JIAARN O=C(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012998369 556190980 /nfs/dbraw/zinc/19/09/80/556190980.db2.gz AZCHJKSPBPADRE-UHFFFAOYSA-N 0 0 456.347 4.048 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)n(-c2ccccn2)n1 ZINC000025151249 556192131 /nfs/dbraw/zinc/19/21/31/556192131.db2.gz ORZJXDLMFTUURA-UHFFFAOYSA-N 0 0 499.546 4.213 50 0 JIAARN COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1ccc(Br)cc1)[nH]c2=O ZINC000016974263 556192897 /nfs/dbraw/zinc/19/28/97/556192897.db2.gz GPTSEKKIJJXKQW-UHFFFAOYSA-N 0 0 486.351 4.023 50 0 JIAARN CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)nn1 ZINC000016975146 556193570 /nfs/dbraw/zinc/19/35/70/556193570.db2.gz BQSRAILHQFHHSG-UHFFFAOYSA-N 0 0 466.744 4.215 50 0 JIAARN COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc(Cl)cc3)s2)cc1OC ZINC000016991894 556195434 /nfs/dbraw/zinc/19/54/34/556195434.db2.gz WJBXGXQZTAHERK-UHFFFAOYSA-N 0 0 459.955 4.087 50 0 JIAARN COCCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)N2CCN(c3ccccc3)CC2)c1=O 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/nfs/dbraw/zinc/20/77/40/556207740.db2.gz DBUXXLWNDUYMCQ-FRPAHBMMSA-N 0 0 455.551 4.230 50 0 biogenic JIAARN Cc1ccc(CNC(=O)Cn2c(CO)cnc2SCc2ccc(Br)cc2)cc1 ZINC000017041499 556208409 /nfs/dbraw/zinc/20/84/09/556208409.db2.gz WICWHXKQAGYOCA-UHFFFAOYSA-N 0 0 460.397 4.055 50 0 JIAARN Cc1c([C@H](C)NC(=O)c2ccc(S(C)(=O)=O)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000013017508 556209603 /nfs/dbraw/zinc/20/96/03/556209603.db2.gz GWIKCCJZEKGBRF-ZDUSSCGKSA-N 0 0 451.470 4.094 50 0 JIAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(C(F)(F)F)s1 ZINC000013018970 556210845 /nfs/dbraw/zinc/21/08/45/556210845.db2.gz NZENWEYYWHVJGF-UHFFFAOYSA-N 0 0 490.916 4.040 50 0 JIAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000013020198 556211159 /nfs/dbraw/zinc/21/11/59/556211159.db2.gz TXSDYETVWWNKEO-UHFFFAOYSA-N 0 0 467.551 4.188 50 0 JIAARN COc1ccc([C@H]2CCCN2C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000013023452 556212728 /nfs/dbraw/zinc/21/27/28/556212728.db2.gz LVGNGKPXHSMREF-XMMPIXPASA-N 0 0 498.601 4.160 50 0 JIAARN O=C(CCSCc1cc2c(cc1Br)OCCO2)Nc1ccc2c(c1)OCCO2 ZINC000013024063 556213933 /nfs/dbraw/zinc/21/39/33/556213933.db2.gz IOTNYKNWNCEYCQ-UHFFFAOYSA-N 0 0 466.353 4.254 50 0 JIAARN Cc1nc(C)c(-c2nnc(SCC(=O)N(C)Cc3ccccc3Br)o2)s1 ZINC000025459207 556216665 /nfs/dbraw/zinc/21/66/65/556216665.db2.gz GIYVJNCEPFWSKZ-UHFFFAOYSA-N 0 0 453.387 4.323 50 0 JIAARN Cc1cc(C)nc(Sc2ccc(NC(=O)CCNC(=O)CCC(=O)c3cccs3)cc2)n1 ZINC000025515796 556218694 /nfs/dbraw/zinc/21/86/94/556218694.db2.gz LLKVDNAERHSTLU-UHFFFAOYSA-N 0 0 468.604 4.414 50 0 JIAARN CO[C@@H]1OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000025560381 556221268 /nfs/dbraw/zinc/22/12/68/556221268.db2.gz MDCCOAKWOJOWEF-JUDWXZBOSA-N 0 0 490.552 4.230 50 0 JIAARN CC1=C2C(=NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)N(c2ccc(C)cc2)N1 ZINC000013038480 556236327 /nfs/dbraw/zinc/23/63/27/556236327.db2.gz MXTXZPQYXDEABC-BJKOFHAPSA-N 0 0 454.505 4.254 50 0 JIAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000017191158 556236602 /nfs/dbraw/zinc/23/66/02/556236602.db2.gz SEDHFWUZUVDFRI-UHFFFAOYSA-N 0 0 457.396 4.437 50 0 JIAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000025818525 556237214 /nfs/dbraw/zinc/23/72/14/556237214.db2.gz LOEOECYBSQHBSP-INIZCTEOSA-N 0 0 450.969 4.194 50 0 JIAARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC(=O)[C@H]2NC(=O)c2ccccc2)cc1F ZINC000013039356 556240059 /nfs/dbraw/zinc/24/00/59/556240059.db2.gz YYVZRCXBCGPZKX-RPWUZVMVSA-N 0 0 470.504 4.211 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000013040872 556245037 /nfs/dbraw/zinc/24/50/37/556245037.db2.gz KJFBYUJCGFNDEN-GOSISDBHSA-N 0 0 466.559 4.164 50 0 JIAARN CC1=Nc2nnnn2[C@@H](c2ccc(OCc3ccccc3)cc2)C1C(=O)OCc1ccccc1 ZINC000017243984 556245375 /nfs/dbraw/zinc/24/53/75/556245375.db2.gz LGKHFSWBNAORNI-DEOSSOPVSA-N 0 0 453.502 4.284 50 0 JIAARN CCSc1nnc(NC(=O)c2cc3c(cc2Cl)N2CCCCCC2=NS3(=O)=O)s1 ZINC000013041175 556245995 /nfs/dbraw/zinc/24/59/95/556245995.db2.gz SQCRTWTYQOCWHT-UHFFFAOYSA-N 0 0 472.017 4.037 50 0 JIAARN COc1ccc(NC(=O)CSc2cn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c3ccccc23)cc1 ZINC000017246760 556246869 /nfs/dbraw/zinc/24/68/69/556246869.db2.gz BPVQQCJOZZYELU-HDICACEKSA-N 0 0 467.591 4.017 50 0 JIAARN COc1ccc(Nc2nc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc3ccccc32)cc1 ZINC000017247956 556247607 /nfs/dbraw/zinc/24/76/07/556247607.db2.gz XSLJHBKAFRIILX-UHFFFAOYSA-N 0 0 489.601 4.201 50 0 JIAARN Cc1ccc(NC(=O)COC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1F ZINC000013042264 556248948 /nfs/dbraw/zinc/24/89/48/556248948.db2.gz GLVZVOZDBFKWIW-ROUUACIJSA-N 0 0 456.514 4.098 50 0 JIAARN CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccc3Cl)CC2)sc2c1CCCC2 ZINC000013056012 556250647 /nfs/dbraw/zinc/25/06/47/556250647.db2.gz ZBFDLQPJOQUEST-UHFFFAOYSA-N 0 0 462.015 4.218 50 0 JIAARN CCOC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1-c1cc(OC)ccc1OC ZINC000017296780 556251768 /nfs/dbraw/zinc/25/17/68/556251768.db2.gz 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Cc1ccc(N2CCN(C(=O)CCn3ccn4nc(-c5ccc(C(C)C)cc5)cc4c3=O)CC2)cc1 ZINC000067262371 569683060 /nfs/dbraw/zinc/68/30/60/569683060.db2.gz IGSRCKROHQFOFL-UHFFFAOYSA-N 0 0 483.616 4.334 50 0 JIAARN O=C(c1nnn(-c2ccccc2Cl)c1-c1cccnc1)N1CCN(c2ccccc2F)CC1 ZINC000067262578 569683106 /nfs/dbraw/zinc/68/31/06/569683106.db2.gz FJAMDQHHIIEVAD-UHFFFAOYSA-N 0 0 462.916 4.084 50 0 JIAARN CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(F)c(F)c1 ZINC000067285936 569683418 /nfs/dbraw/zinc/68/34/18/569683418.db2.gz DDLYELYWRJSSGN-XMMPIXPASA-N 0 0 469.532 4.091 50 0 JIAARN CCOc1ccc([C@H]2OCC(C)(C)n3c(-c4ccc(C)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000035373039 569683500 /nfs/dbraw/zinc/68/35/00/569683500.db2.gz DBBZMEDNRJOXCB-RUZDIDTESA-N 0 0 473.573 4.268 50 0 JIAARN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000067286186 569683674 /nfs/dbraw/zinc/68/36/74/569683674.db2.gz ARQYSAXBFRIYLZ-HSZRJFAPSA-N 0 0 496.405 4.410 50 0 JIAARN CCOCCCNC(=O)c1ccc(CN2c3cc(-c4cccc(Cl)c4)nn3CCC2=O)cc1 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O=C(Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21)N1CCCc2ccccc21 ZINC000067318110 569686885 /nfs/dbraw/zinc/68/68/85/569686885.db2.gz QUZVDYLGPJFJLW-UHFFFAOYSA-N 0 0 463.497 4.093 50 0 JIAARN CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4c(C)cc(C)cc4C)C3)c(C)cc2NC1=O ZINC000035396638 569687357 /nfs/dbraw/zinc/68/73/57/569687357.db2.gz WVOVSRPFHINFSG-FPOVZHCZSA-N 0 0 499.633 4.069 50 0 JIAARN Cc1c(C(=O)Nc2cc(Cl)ccc2C)nnn1CC(=O)Nc1ccccc1C(F)(F)F ZINC000067323415 569687528 /nfs/dbraw/zinc/68/75/28/569687528.db2.gz GMKSXIQZUOIQMT-UHFFFAOYSA-N 0 0 451.836 4.458 50 0 JIAARN COc1cccc(C(=O)Nc2nc(-c3nnn(-c4cccc(C(F)(F)F)c4)c3C)ns2)c1 ZINC000067341439 569688295 /nfs/dbraw/zinc/68/82/95/569688295.db2.gz PVWHHEULLVUKDH-UHFFFAOYSA-N 0 0 460.441 4.374 50 0 JIAARN CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(F)ccc3Cl)c2=O)cc1 ZINC000067673577 569689118 /nfs/dbraw/zinc/68/91/18/569689118.db2.gz XPPKAWMVWPBYHY-UHFFFAOYSA-N 0 0 487.940 4.103 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCCCC2)cc1Cl ZINC000035398933 569689266 /nfs/dbraw/zinc/68/92/66/569689266.db2.gz MMFQFMCYWAJJBQ-UHFFFAOYSA-N 0 0 490.025 4.131 50 0 JIAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)CC1)c1cccn1-2 ZINC000035399360 569689881 /nfs/dbraw/zinc/68/98/81/569689881.db2.gz TZOINFDCTCRGCS-UHFFFAOYSA-N 0 0 473.982 4.253 50 0 biogenic JIAARN COc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)cc1OC ZINC000067689770 569690292 /nfs/dbraw/zinc/69/02/92/569690292.db2.gz CXKXJAVFMRGLQY-UHFFFAOYSA-N 0 0 499.589 4.071 50 0 JIAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(CC(=O)NCc4cccc(OC)c4)c3c2=O)cc1 ZINC000035400053 569690419 /nfs/dbraw/zinc/69/04/19/569690419.db2.gz ASARRTPYAMTGAM-UHFFFAOYSA-N 0 0 496.567 4.042 50 0 JIAARN COc1ccc(CNC(=O)Cn2c3ccc(C)cc3c3ncn(Cc4ccccc4)c(=O)c32)cc1 ZINC000035399970 569690423 /nfs/dbraw/zinc/69/04/23/569690423.db2.gz UJJHAOIRPCBNMD-UHFFFAOYSA-N 0 0 466.541 4.033 50 0 JIAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)Nc2ccc(OC)c(F)c2)cc1 ZINC000067689883 569690445 /nfs/dbraw/zinc/69/04/45/569690445.db2.gz LIFCIYZEZKJDJX-UHFFFAOYSA-N 0 0 485.562 4.393 50 0 JIAARN COc1ccc(Cn2c(SCC(=O)Nc3cc(OC)cc(OC)c3)nc3ccsc3c2=O)cc1 ZINC000067689863 569690477 /nfs/dbraw/zinc/69/04/77/569690477.db2.gz SIRARRNKLXDREO-UHFFFAOYSA-N 0 0 497.598 4.263 50 0 JIAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccccc2F)c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000067694833 569690721 /nfs/dbraw/zinc/69/07/21/569690721.db2.gz DAUJUWPJMGVRGP-UHFFFAOYSA-N 0 0 477.439 4.070 50 0 JIAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)N4CCN(c5ccccc5F)CC4)CC3)cn2)cc1C ZINC000035403522 569691277 /nfs/dbraw/zinc/69/12/77/569691277.db2.gz HKASZWJKVUTZCN-UHFFFAOYSA-N 0 0 473.596 4.066 50 0 JIAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CCOc3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000068713232 569691812 /nfs/dbraw/zinc/69/18/12/569691812.db2.gz HFBKUHLQZJFFPV-AREMUKBSSA-N 0 0 481.932 4.243 50 0 JIAARN O=C(Nc1cccc(Cn2cccnc2=O)c1)NC1(c2ccc(Br)cc2)CCC1 ZINC000069538839 569693254 /nfs/dbraw/zinc/69/32/54/569693254.db2.gz WHTFHJYDBJYYQB-UHFFFAOYSA-N 0 0 453.340 4.255 50 0 JIAARN COc1cccc(NC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nc4ccccc4n3c2=O)c1 ZINC000035425327 569693428 /nfs/dbraw/zinc/69/34/28/569693428.db2.gz NSBRBJLGTXRDKN-UHFFFAOYSA-N 0 0 469.501 4.101 50 0 JIAARN CC(=O)c1ccc(NC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nc4ccccc4n3c2=O)cc1 ZINC000035425353 569693459 /nfs/dbraw/zinc/69/34/59/569693459.db2.gz PKJJXZMDPWNRKV-UHFFFAOYSA-N 0 0 481.512 4.295 50 0 JIAARN CCOC(=O)C1=C(CSc2nnc(Nc3ccccc3)s2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000069947991 569694110 /nfs/dbraw/zinc/69/41/10/569694110.db2.gz RALOFPNBQCURGX-QGZVFWFLSA-N 0 0 471.564 4.147 50 0 JIAARN O=C(CN1C(=O)COc2cc(Br)ccc21)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000070017544 569694874 /nfs/dbraw/zinc/69/48/74/569694874.db2.gz BDSRKZFSPBNDRT-UHFFFAOYSA-N 0 0 498.402 4.437 50 0 JIAARN O=C(NCc1cccc(C(=O)N2CCCC2)c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000070039011 569695061 /nfs/dbraw/zinc/69/50/61/569695061.db2.gz WQVJYSULNCVAMQ-UHFFFAOYSA-N 0 0 476.499 4.100 50 0 JIAARN Cc1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC1)N=C(c1ccc(C(C)(C)C)cc1)C(=O)N2 ZINC000035445324 569695573 /nfs/dbraw/zinc/69/55/73/569695573.db2.gz ZDEKWJJPONKRAM-UHFFFAOYSA-N 0 0 474.026 4.046 50 0 JIAARN COc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000071328676 569697045 /nfs/dbraw/zinc/69/70/45/569697045.db2.gz FVALNZUKFJSGOO-HSZRJFAPSA-N 0 0 479.554 4.339 50 0 JIAARN Cc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(O)n1 ZINC000071765043 569697300 /nfs/dbraw/zinc/69/73/00/569697300.db2.gz KSIAAOIDZXRHET-UHFFFAOYSA-N 0 0 484.386 4.361 50 0 JIAARN Cc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 ZINC000071768673 569697736 /nfs/dbraw/zinc/69/77/36/569697736.db2.gz HJFPZPVIUWFXLM-UHFFFAOYSA-N 0 0 468.439 4.452 50 0 JIAARN Cc1cc(C)cc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)c1 ZINC000035509696 569698018 /nfs/dbraw/zinc/69/80/18/569698018.db2.gz VAMWVTVJBHZLJR-UHFFFAOYSA-N 0 0 488.617 4.093 50 0 JIAARN COCC1CCN(c2c3cc(F)ccc3ncc2S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000071775278 569698168 /nfs/dbraw/zinc/69/81/68/569698168.db2.gz OMPXUKBHTLGCRT-UHFFFAOYSA-N 0 0 450.482 4.348 50 0 JIAARN O=C(CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1)c1ccc2c(c1)OCCO2 ZINC000035511665 569698359 /nfs/dbraw/zinc/69/83/59/569698359.db2.gz XQPZXWPEGNPTJK-UHFFFAOYSA-N 0 0 465.531 4.188 50 0 JIAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000035512282 569698484 /nfs/dbraw/zinc/69/84/84/569698484.db2.gz VYMXOXMJLJFMDR-UHFFFAOYSA-N 0 0 484.531 4.359 50 0 JIAARN O=C(CSc1ccc(C(F)(F)F)cn1)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000071862777 569699174 /nfs/dbraw/zinc/69/91/74/569699174.db2.gz XFCSYOQTPMJDSF-CQSZACIVSA-N 0 0 470.492 4.392 50 0 JIAARN CCc1ccc(NC(=O)CSc2nnc(-c3nc(-c4ccc(OC)cc4)no3)n2CC)cc1 ZINC000035527645 569699291 /nfs/dbraw/zinc/69/92/91/569699291.db2.gz ZATHGYUIMUCQQK-UHFFFAOYSA-N 0 0 464.551 4.317 50 0 JIAARN Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)cc1 ZINC000035527781 569699489 /nfs/dbraw/zinc/69/94/89/569699489.db2.gz ITCJUFHGDHDLIB-QHCPKHFHSA-N 0 0 494.617 4.118 50 0 JIAARN Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1 ZINC000035527795 569699490 /nfs/dbraw/zinc/69/94/90/569699490.db2.gz MZUSWOZNBYRKTI-PXNSSMCTSA-N 0 0 450.926 4.415 50 0 JIAARN O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 ZINC000072060949 569699614 /nfs/dbraw/zinc/69/96/14/569699614.db2.gz SXJYVJSNCNIZNP-KRWDZBQOSA-N 0 0 465.307 4.161 50 0 JIAARN Cn1ccnc1CN1C[C@H](C(=O)NC2CCCCC2)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000072158698 569699901 /nfs/dbraw/zinc/69/99/01/569699901.db2.gz HQYYZAYTWKXZDE-RBUKOAKNSA-N 0 0 478.559 4.405 50 0 JIAARN CCc1cccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3Cc2ccccc2)c1 ZINC000035532123 569700723 /nfs/dbraw/zinc/70/07/23/569700723.db2.gz WAAKBKDMCFPOCZ-UHFFFAOYSA-N 0 0 475.599 4.447 50 0 JIAARN COc1ccc(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)cc1OC ZINC000035533280 569701009 /nfs/dbraw/zinc/70/10/09/569701009.db2.gz GWMJVKFBLUXXOO-UHFFFAOYSA-N 0 0 459.597 4.071 50 0 JIAARN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(Nc3cnn(CCO)c3)c2c1C ZINC000072273079 569701484 /nfs/dbraw/zinc/70/14/84/569701484.db2.gz PNERPKMTPASMKN-UHFFFAOYSA-N 0 0 469.592 4.401 50 0 JIAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-n2cc[nH]c2=S)c1 ZINC000072277350 569701630 /nfs/dbraw/zinc/70/16/30/569701630.db2.gz NWYDQNPDUAVOJC-GOSISDBHSA-N 0 0 456.955 4.440 50 0 JIAARN COc1ccc2c(c1OC)C(=O)N1c3ccc(Cl)cc3-c3nc(=O)c(-c4ccccc4)nn3[C@@H]21 ZINC000072312818 569701831 /nfs/dbraw/zinc/70/18/31/569701831.db2.gz DAFCOGKDPOVGBT-DEOSSOPVSA-N 0 0 472.888 4.164 50 0 JIAARN O=C(Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Br)ccc21)Nc1cc(F)ccc1F ZINC000035535342 569701850 /nfs/dbraw/zinc/70/18/50/569701850.db2.gz FRKKSILCNQOXCX-UHFFFAOYSA-N 0 0 498.283 4.307 50 0 JIAARN O=C(Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Br)ccc21)Nc1ccc(F)cc1 ZINC000035535340 569701861 /nfs/dbraw/zinc/70/18/61/569701861.db2.gz LFUVKCBOGJTKQV-UHFFFAOYSA-N 0 0 480.293 4.168 50 0 JIAARN Cc1cc(-n2c(C)cc(C(=O)CN3CCCN(c4ccc(C(F)(F)F)cn4)CC3)c2C)no1 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/nfs/dbraw/zinc/71/23/49/569712349.db2.gz NLAALDRTSIXZOL-UHFFFAOYSA-N 0 0 460.530 4.193 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCCC4)CC3)c(C)s2)no1 ZINC000085650083 569712362 /nfs/dbraw/zinc/71/23/62/569712362.db2.gz YFZZOTGPPJQARW-UHFFFAOYSA-N 0 0 480.656 4.045 50 0 JIAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1 ZINC000085650121 569712424 /nfs/dbraw/zinc/71/24/24/569712424.db2.gz KNELIZJAPPNQAX-UHFFFAOYSA-N 0 0 494.664 4.009 50 0 JIAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccs2)C1 ZINC000085650322 569712506 /nfs/dbraw/zinc/71/25/06/569712506.db2.gz NVPDPBVFCBLSSV-HNNXBMFYSA-N 0 0 494.664 4.009 50 0 JIAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCC2)C1 ZINC000085650339 569712522 /nfs/dbraw/zinc/71/25/22/569712522.db2.gz FPDHKKWEVIMMPT-QGZVFWFLSA-N 0 0 492.667 4.224 50 0 JIAARN CCCCN(CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)c1cnc(C)cn1 ZINC000035819157 569712650 /nfs/dbraw/zinc/71/26/50/569712650.db2.gz 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COc1ccccc1Cn1c(C(=O)N2CCN(C(=O)c3ccco3)[C@H](C)C2)cc2ccsc21 ZINC000035844339 569715055 /nfs/dbraw/zinc/71/50/55/569715055.db2.gz KTQCVXIKGHMQJJ-QGZVFWFLSA-N 0 0 463.559 4.339 50 0 JIAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cc3ccccc3n(C)c2=O)cc1 ZINC000085878862 569716274 /nfs/dbraw/zinc/71/62/74/569716274.db2.gz KGTQUFCMPWBPPQ-SFHVURJKSA-N 0 0 495.487 4.467 50 0 biogenic JIAARN CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)ccc1OC ZINC000086057053 569716997 /nfs/dbraw/zinc/71/69/97/569716997.db2.gz VBYUAYSMSHGVHA-QGZVFWFLSA-N 0 0 451.548 4.252 50 0 JIAARN COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CCN(c4ccc(C)cc4)C[C@@H]23)cc1 ZINC000035870766 569718404 /nfs/dbraw/zinc/71/84/04/569718404.db2.gz QSPJZOVWQHJNII-XCZPVHLTSA-N 0 0 455.602 4.230 50 0 JIAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)c1ccc2c(c1)CCC2 ZINC000089598295 569718980 /nfs/dbraw/zinc/71/89/80/569718980.db2.gz RCPAMDLCUICCAW-IBGZPJMESA-N 0 0 489.593 4.351 50 0 JIAARN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@H]1[C@@H](C(=O)NCCc1ccccc1)C2 ZINC000035871800 569719131 /nfs/dbraw/zinc/71/91/31/569719131.db2.gz MSPRSAPAQDPZQJ-XCZPVHLTSA-N 0 0 455.602 4.230 50 0 JIAARN Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)c2cc1C(C)C ZINC000089608978 569719159 /nfs/dbraw/zinc/71/91/59/569719159.db2.gz AVVPCOCKGYCMHE-UHFFFAOYSA-N 0 0 476.545 4.010 50 0 JIAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000089827644 569720007 /nfs/dbraw/zinc/72/00/07/569720007.db2.gz NVZZAUQLBJDMQP-UHFFFAOYSA-N 0 0 484.021 4.442 50 0 JIAARN COc1ccccc1CCN1Cc2cc(NC(=O)Cc3ccc(F)cc3)ccc2O[C@@H](C)C1=O ZINC000035884802 569720261 /nfs/dbraw/zinc/72/02/61/569720261.db2.gz GMWRXRIDVHYLRD-SFHVURJKSA-N 0 0 462.521 4.368 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 ZINC000089893428 569720321 /nfs/dbraw/zinc/72/03/21/569720321.db2.gz NPRGLXZPZZDMFK-MRXNPFEDSA-N 0 0 484.449 4.450 50 0 JIAARN COc1ccccc1CN1Cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@H](C)C1=O ZINC000035887117 569720639 /nfs/dbraw/zinc/72/06/39/569720639.db2.gz TUWZCJJAQZJVNQ-MRXNPFEDSA-N 0 0 486.977 4.459 50 0 JIAARN Cc1cccc(NC(=O)CN2CCN(CC(=O)N[C@H](C)c3ccc(-c4ccccc4)cc3)CC2)c1C ZINC000095357414 569722764 /nfs/dbraw/zinc/72/27/64/569722764.db2.gz FMYDXOKHSWJUKU-XMMPIXPASA-N 0 0 484.644 4.404 50 0 JIAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000095473478 569723820 /nfs/dbraw/zinc/72/38/20/569723820.db2.gz IIYNFWSEUVTAHG-IBGZPJMESA-N 0 0 457.983 4.494 50 0 JIAARN O=C(c1ccccc1)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908261 569723990 /nfs/dbraw/zinc/72/39/90/569723990.db2.gz PPOJRDJPSFKKBT-UHFFFAOYSA-N 0 0 474.568 4.369 50 0 JIAARN O=C(C1CCCC1)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908294 569724038 /nfs/dbraw/zinc/72/40/38/569724038.db2.gz FVQIMBBDEOWGBX-UHFFFAOYSA-N 0 0 466.589 4.245 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)NC3CCCCC3)CC2)n1 ZINC000035908681 569724291 /nfs/dbraw/zinc/72/42/91/569724291.db2.gz LCHIABLHUWUOPM-UHFFFAOYSA-N 0 0 461.614 4.241 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCCN(C(=O)C(C)C)CC3)c12 ZINC000035908852 569724376 /nfs/dbraw/zinc/72/43/76/569724376.db2.gz SAYNVIFJQJMFIF-UHFFFAOYSA-N 0 0 468.605 4.409 50 0 JIAARN COc1ccc(CC(=O)Nc2ccc3c(c2)CN(CCOc2ccccc2)C(=O)[C@H](C)O3)cc1 ZINC000035909185 569724523 /nfs/dbraw/zinc/72/45/23/569724523.db2.gz FUCRBMMLMVFQNK-IBGZPJMESA-N 0 0 460.530 4.065 50 0 JIAARN CC[C@@H]1Oc2ccc(NC(=O)COc3ccccc3)cc2CN(Cc2cccc(OC)c2)C1=O ZINC000035909241 569724553 /nfs/dbraw/zinc/72/45/53/569724553.db2.gz QBUJXNWUFCYXFJ-DEOSSOPVSA-N 0 0 460.530 4.413 50 0 JIAARN CC(=O)Oc1ccccc1C(=O)Nc1ccc2c(c1)CN(CCc1ccc(F)cc1)C(=O)[C@H](C)O2 ZINC000035909432 569724610 /nfs/dbraw/zinc/72/46/10/569724610.db2.gz XFLSSOVOEDQEGM-KRWDZBQOSA-N 0 0 476.504 4.356 50 0 JIAARN COc1ccc(CN2Cc3cc(NC(=O)c4ccccc4OC)ccc3O[C@H](C)C2=O)c(OC)c1 ZINC000035909819 569725019 /nfs/dbraw/zinc/72/50/19/569725019.db2.gz QPUBNTBTDOBJFI-QGZVFWFLSA-N 0 0 476.529 4.274 50 0 JIAARN Cc1nnc(SCc2cccc(C(=O)N3CCN(C)CC3)c2)n1-c1cccc(C(F)(F)F)c1 ZINC000095538761 569726271 /nfs/dbraw/zinc/72/62/71/569726271.db2.gz JFPDOEHOMGPLAS-UHFFFAOYSA-N 0 0 475.540 4.274 50 0 JIAARN CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccc(C)cc4C)n3)c(=O)n12 ZINC000035911725 569726847 /nfs/dbraw/zinc/72/68/47/569726847.db2.gz DHENLSXUAWPFST-UHFFFAOYSA-N 0 0 463.607 4.301 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCC(C)C)n3c2=O)nn1-c1ccccc1C ZINC000035911659 569726886 /nfs/dbraw/zinc/72/68/86/569726886.db2.gz NMHUKDBVWOVTRN-UHFFFAOYSA-N 0 0 463.607 4.239 50 0 JIAARN COCCNC(=O)c1cccc(CSc2nnc(-c3ccco3)n2-c2ccc(F)cc2)c1 ZINC000095546835 569727324 /nfs/dbraw/zinc/72/73/24/569727324.db2.gz OWBPKGQEKFNCGU-UHFFFAOYSA-N 0 0 452.511 4.335 50 0 JIAARN Cn1c(CN2CCCCC2)nc2cc(NC(=O)CN3c4cccnc4Oc4ccccc4C3=O)ccc21 ZINC000095549721 569727407 /nfs/dbraw/zinc/72/74/07/569727407.db2.gz GOOIKXFQWHWFKE-UHFFFAOYSA-N 0 0 496.571 4.345 50 0 JIAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)CCCN4C(=O)COc5ccc(C)cc54)ccc32)c1 ZINC000095549599 569727441 /nfs/dbraw/zinc/72/74/41/569727441.db2.gz JOUOYXXQBRXNRO-UHFFFAOYSA-N 0 0 497.595 4.328 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCN(C(=O)Cc4ccccc4)CC3)c12 ZINC000035912632 569727625 /nfs/dbraw/zinc/72/76/25/569727625.db2.gz QCLBYBWUVMFWLZ-UHFFFAOYSA-N 0 0 468.605 4.214 50 0 JIAARN COc1ccc([C@H]2c3sc(=O)[nH]c3SC[C@]23CC(=O)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000095558939 569727750 /nfs/dbraw/zinc/72/77/50/569727750.db2.gz IQKIODBYROXEDT-HTAPYJJXSA-N 0 0 472.975 4.286 50 0 JIAARN Cc1cc(C)c(NC(=O)Cn2nc3c4cc(-c5ccc(C(C)C)cc5)nn4ccn3c2=O)c(C)c1 ZINC000095609156 569728078 /nfs/dbraw/zinc/72/80/78/569728078.db2.gz IPBOUIMQLPSIJU-UHFFFAOYSA-N 0 0 468.561 4.498 50 0 JIAARN Cc1cccc(C)c1NC(=O)Cn1nc2c3cc(-c4ccc(C(C)C)cc4)nn3ccn2c1=O ZINC000095609166 569728079 /nfs/dbraw/zinc/72/80/79/569728079.db2.gz PWULVUDOEWSWNH-UHFFFAOYSA-N 0 0 454.534 4.190 50 0 JIAARN COc1cccc(C(=O)CSc2nc3c(cc(OC)c(OC)c3OC)c(=O)n2-c2ccccc2)c1 ZINC000035924748 569728145 /nfs/dbraw/zinc/72/81/45/569728145.db2.gz DPAAMKBDLKEKJR-UHFFFAOYSA-N 0 0 492.553 4.395 50 0 JIAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000035925391 569728794 /nfs/dbraw/zinc/72/87/94/569728794.db2.gz YQHASXWPYNRUFI-UHFFFAOYSA-N 0 0 460.969 4.384 50 0 JIAARN CCn1c(SCc2ccccc2C(=O)N2CCN(CC)CC2)nnc1-c1cccc(OC)c1 ZINC000095925488 569730163 /nfs/dbraw/zinc/73/01/63/569730163.db2.gz WBSGGGHZBBABJR-UHFFFAOYSA-N 0 0 465.623 4.044 50 0 JIAARN CCC[C@H](O)CN(C)Cc1nn(-c2ccc(C)cc2)c2c1CN(Cc1ccc(F)cc1)CC2 ZINC000035927991 569730638 /nfs/dbraw/zinc/73/06/38/569730638.db2.gz AJIWYQVAWAHOGM-DEOSSOPVSA-N 0 0 450.602 4.471 50 0 JIAARN C[C@@H](NC(=O)[C@@H](C)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1)c1ccc(F)cc1 ZINC000095947057 569731049 /nfs/dbraw/zinc/73/10/49/569731049.db2.gz ZADAPHYQISXYIH-QZTJIDSGSA-N 0 0 470.589 4.472 50 0 JIAARN CCOC(=O)C1CCN(c2nc3nn(-c4ccc(F)cc4)c(N)c3c(-c3ccc(F)cc3)n2)CC1 ZINC000035930092 569731525 /nfs/dbraw/zinc/73/15/25/569731525.db2.gz KPLNCIVOKQHSDQ-UHFFFAOYSA-N 0 0 478.503 4.122 50 0 JIAARN COc1ccc(C(=O)N(Cc2cc(NC(=O)c3ccco3)ccc2N(C)C)C[C@H]2CCCO2)cc1 ZINC000035944719 569732214 /nfs/dbraw/zinc/73/22/14/569732214.db2.gz KIUYMAGOBXLIIF-HSZRJFAPSA-N 0 0 477.561 4.428 50 0 JIAARN C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(Cc2nc(=O)c3c(-c4cccs4)csc3[nH]2)CC1 ZINC000096102402 569732751 /nfs/dbraw/zinc/73/27/51/569732751.db2.gz QNKKNZINQWLZLG-RDJZCZTQSA-N 0 0 471.652 4.119 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(OC)cc1)C(=O)C1CCC1 ZINC000035945800 569732980 /nfs/dbraw/zinc/73/29/80/569732980.db2.gz OVTLFRIRTNLNAF-DEOSSOPVSA-N 0 0 483.996 4.301 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000096114326 569733488 /nfs/dbraw/zinc/73/34/88/569733488.db2.gz AFARCIDEYYVQQA-RCZVLFRGSA-N 0 0 473.481 4.350 50 0 biogenic JIAARN COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096115012 569734134 /nfs/dbraw/zinc/73/41/34/569734134.db2.gz IIVVGLKDNKYNLO-KRWDZBQOSA-N 0 0 458.422 4.099 50 0 biogenic JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2OC)cc1 ZINC000035947100 569734158 /nfs/dbraw/zinc/73/41/58/569734158.db2.gz LLEYBBAWYTUUDL-XMMPIXPASA-N 0 0 475.520 4.293 50 0 JIAARN COc1cccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2cc(OC)c(O)c(OC)c2)c1 ZINC000096115632 569734580 /nfs/dbraw/zinc/73/45/80/569734580.db2.gz AOTHYVSNRNGVRF-BWKNWUBXSA-N 0 0 489.480 4.056 50 0 biogenic JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccccc2OC)cc1 ZINC000035947717 569734776 /nfs/dbraw/zinc/73/47/76/569734776.db2.gz BNYBWGGIFYGHTI-VWLOTQADSA-N 0 0 487.556 4.162 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1)C(=O)C1CCCC1 ZINC000035947754 569734786 /nfs/dbraw/zinc/73/47/86/569734786.db2.gz HLJFTDYQNSYLET-RUZDIDTESA-N 0 0 463.578 4.038 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1)C(=O)CC(C)(C)C ZINC000035947750 569734802 /nfs/dbraw/zinc/73/48/02/569734802.db2.gz NHMPVNUNOPYGCZ-XMMPIXPASA-N 0 0 465.594 4.284 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@@H](c3ccc4c(c3)OCO4)C2)c(OC)c1 ZINC000035947850 569734969 /nfs/dbraw/zinc/73/49/69/569734969.db2.gz SQABXXORQGMLJU-OAQYLSRUSA-N 0 0 495.576 4.005 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1OC)C(=O)C1CCCC1 ZINC000035948435 569735373 /nfs/dbraw/zinc/73/53/73/569735373.db2.gz KQNKTJYMWRIJPE-NRFANRHFSA-N 0 0 469.607 4.100 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000035948659 569735573 /nfs/dbraw/zinc/73/55/73/569735573.db2.gz WGJZOXGFTVHISR-HSZRJFAPSA-N 0 0 489.503 4.013 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(C)cc1)C(=O)NC(C)(C)C ZINC000035948827 569735584 /nfs/dbraw/zinc/73/55/84/569735584.db2.gz WLMASOSCOLPWRW-QHCPKHFHSA-N 0 0 468.573 4.268 50 0 JIAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cc3cccc4c3n(c2=O)CC4)S1 ZINC000096116946 569735586 /nfs/dbraw/zinc/73/55/86/569735586.db2.gz WOFHKDCQIHBCFI-JXFKEZNVSA-N 0 0 450.564 4.064 50 0 JIAARN COCCn1c(C(=O)N[C@@H](CCSC)c2nnc3ccccn32)cc2cc(Cl)ccc21 ZINC000096117078 569735647 /nfs/dbraw/zinc/73/56/47/569735647.db2.gz VOODZHCMIGBUGZ-KRWDZBQOSA-N 0 0 457.987 4.208 50 0 JIAARN CSCC[C@H](NC(=O)Cc1c(C)[nH]nc1-c1ccc(Cl)cc1)c1nnc2ccccn21 ZINC000096117961 569735944 /nfs/dbraw/zinc/73/59/44/569735944.db2.gz NYPYIXWXEOJNNU-SFHVURJKSA-N 0 0 454.987 4.234 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1OC)C(=O)C1CCCC1 ZINC000035961053 569736715 /nfs/dbraw/zinc/73/67/15/569736715.db2.gz RQCXPQPXMRJCAO-XMMPIXPASA-N 0 0 481.568 4.177 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1)C(=O)CC(C)(C)C ZINC000035961100 569736869 /nfs/dbraw/zinc/73/68/69/569736869.db2.gz OPFBKGMTSJBTFB-DEOSSOPVSA-N 0 0 495.620 4.293 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000035961129 569736907 /nfs/dbraw/zinc/73/69/07/569736907.db2.gz DJSBRCWFGDAYLW-JOCHJYFZSA-N 0 0 451.567 4.276 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000035961622 569737077 /nfs/dbraw/zinc/73/70/77/569737077.db2.gz POVPUWZIYYKFPA-VWLOTQADSA-N 0 0 477.511 4.431 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cccs1)C(=O)C1CCCC1 ZINC000035961585 569737089 /nfs/dbraw/zinc/73/70/89/569737089.db2.gz UMRPFIUUCXAOOJ-OAQYLSRUSA-N 0 0 457.571 4.230 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccc(C)cc2)cc1 ZINC000035961926 569737317 /nfs/dbraw/zinc/73/73/17/569737317.db2.gz VWQAVNYGZNZMSW-AREMUKBSSA-N 0 0 471.557 4.462 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(Cl)cc1)C(=O)c1ccco1 ZINC000035962137 569737466 /nfs/dbraw/zinc/73/74/66/569737466.db2.gz FDXWXGVTNFBOJV-QHCPKHFHSA-N 0 0 495.963 4.408 50 0 JIAARN COc1ccc(OC)c([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)c2cccs2)c1 ZINC000035962723 569737652 /nfs/dbraw/zinc/73/76/52/569737652.db2.gz HQLVXQPQYPRWBB-NRFANRHFSA-N 0 0 481.549 4.354 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1)C(=O)CC(C)(C)C ZINC000035962590 569737691 /nfs/dbraw/zinc/73/76/91/569737691.db2.gz DPQIMJIKDOBNLZ-DEOSSOPVSA-N 0 0 465.594 4.284 50 0 JIAARN C[C@H](CCc1ccccc1)N1C(=O)[C@@H](Cc2ccccc2)NC12CCN(C(=O)C1CCC1)CC2 ZINC000096210959 569738072 /nfs/dbraw/zinc/73/80/72/569738072.db2.gz DZPQOWGYTUOUPS-ATIYNZHBSA-N 0 0 459.634 4.170 50 0 JIAARN CC(C)CNC(=O)[C@H](C(C)C)N1CC2=C(C1=O)[C@H](c1cccc(Oc3ccccc3)c1)NC(=O)N2C ZINC000035968366 569738935 /nfs/dbraw/zinc/73/89/35/569738935.db2.gz QITKXGZEXGMGNY-DQEYMECFSA-N 0 0 490.604 4.068 50 0 JIAARN COCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H]1CCCO1 ZINC000035980546 569742322 /nfs/dbraw/zinc/74/23/22/569742322.db2.gz ZSZFALSVGGDWCD-HXUWFJFHSA-N 0 0 465.550 4.042 50 0 JIAARN COc1cc(OC)cc(C2=N/C(=C/c3csc(N(C(C)=O)c4ccc(F)cc4F)n3)C(=O)O2)c1 ZINC000096635123 569742782 /nfs/dbraw/zinc/74/27/82/569742782.db2.gz HNXPJEGGCPBHCJ-DJKKODMXSA-N 0 0 485.468 4.468 50 0 JIAARN O=C(/C=C\c1ccccc1)N1CCC(C(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1 ZINC000096794743 569743195 /nfs/dbraw/zinc/74/31/95/569743195.db2.gz JVARRHMFAMPJIV-KHPPLWFESA-N 0 0 460.496 4.334 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cnc(-c3ccc(C)cc3)nc2N2CCC(C)CC2)C1 ZINC000035988003 569743704 /nfs/dbraw/zinc/74/37/04/569743704.db2.gz WHCSXMAGPJSCLS-OAQYLSRUSA-N 0 0 450.583 4.104 50 0 JIAARN C[C@H]1Cn2c3c(nc2N(c2ccc(Cl)cc2)C1)n(C)c(=O)n(C/C=C\c1ccccc1)c3=O ZINC000096936058 569743846 /nfs/dbraw/zinc/74/38/46/569743846.db2.gz AXWWGJGIHVTLEQ-UXHZXRBQSA-N 0 0 461.953 4.051 50 0 JIAARN CCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000035990224 569744078 /nfs/dbraw/zinc/74/40/78/569744078.db2.gz KOTZWGKVXTXLSV-UHFFFAOYSA-N 0 0 458.541 4.096 50 0 JIAARN CCc1nc2c(c(C)nn2-c2ccccc2Cl)c(N2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000035990270 569744092 /nfs/dbraw/zinc/74/40/92/569744092.db2.gz ZXAQDGAMXOTWTI-UHFFFAOYSA-N 0 0 460.969 4.302 50 0 JIAARN CCC(=O)Nc1ccc(N2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)c(C(=O)N2CCCC2)c1 ZINC000035992029 569744751 /nfs/dbraw/zinc/74/47/51/569744751.db2.gz JFNXGYVQCMTXMP-QHCPKHFHSA-N 0 0 476.621 4.114 50 0 JIAARN COc1ccc(CCn2c(C)cc(C(=O)COC(=O)C(=Cc3ccccc3)NC(C)=O)c2C)cc1 ZINC000097653885 569745534 /nfs/dbraw/zinc/74/55/34/569745534.db2.gz CZIFBISOKFYZPF-YZSQISJMSA-N 0 0 474.557 4.259 50 0 JIAARN COc1cccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)N(C)Cc3ccccc3)no2)c1 ZINC000036002408 569746210 /nfs/dbraw/zinc/74/62/10/569746210.db2.gz JWNVIOCSQIVHBF-RUZDIDTESA-N 0 0 469.541 4.350 50 0 JIAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)Nc5ccc(F)c(Cl)c5)CC4)c3CO2)cc1 ZINC000097943813 569746682 /nfs/dbraw/zinc/74/66/82/569746682.db2.gz QFOLEWSSSIPHIC-QFIPXVFZSA-N 0 0 497.958 4.141 50 0 JIAARN COc1ccc(NC(=O)[C@H](C)n2c3ccccc3c(=O)n(-c3ccc(C)c(Cl)c3)c2=O)cc1OC ZINC000036008651 569748006 /nfs/dbraw/zinc/74/80/06/569748006.db2.gz MKJCUIVILVIRRO-INIZCTEOSA-N 0 0 493.947 4.331 50 0 JIAARN COc1ccc(OC)c(-c2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(Cl)cc3)no2)c1 ZINC000036012971 569748383 /nfs/dbraw/zinc/74/83/83/569748383.db2.gz ZOZLINWQKRUDSO-IBGZPJMESA-N 0 0 492.981 4.382 50 0 JIAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)c4ccco4)C(C)C)cc3)CC2)cc1 ZINC000036013179 569748436 /nfs/dbraw/zinc/74/84/36/569748436.db2.gz IYSOLEDRKAEDLK-UHFFFAOYSA-N 0 0 488.588 4.040 50 0 JIAARN COc1ccc(/C=C2/N=C(c3ccccc3I)OC2=O)cc1OC(F)F ZINC000097987581 569748567 /nfs/dbraw/zinc/74/85/67/569748567.db2.gz GWFREICJAOUYAK-MDWZMJQESA-N 0 0 471.197 4.246 50 0 JIAARN COC(=O)c1c(C)c(C(=O)CN(CC2CCCCC2)S(=O)(=O)c2ccc(F)cc2)c(C)n1C ZINC000036014701 569748860 /nfs/dbraw/zinc/74/88/60/569748860.db2.gz YEVSASIDFMHCET-UHFFFAOYSA-N 0 0 478.586 4.022 50 0 JIAARN CCn1c(C)c(C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cl)cc2)c(C)c1C(=O)OC ZINC000036018752 569749688 /nfs/dbraw/zinc/74/96/88/569749688.db2.gz NSKZDSZOSRNRDV-IBGZPJMESA-N 0 0 460.958 4.069 50 0 JIAARN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)/C=C\c4ccccc4)CC3)cc2)cc1 ZINC000098028407 569749845 /nfs/dbraw/zinc/74/98/45/569749845.db2.gz DNLFPZKBBDAMLR-SXGWCWSVSA-N 0 0 455.558 4.375 50 0 JIAARN Cc1nn(-c2ccccc2C)c2nc(C)nc(N3CCCN(C(=O)c4cccc(F)c4)CC3)c12 ZINC000036019699 569750081 /nfs/dbraw/zinc/75/00/81/569750081.db2.gz LXBPCTUNTJCGIB-UHFFFAOYSA-N 0 0 458.541 4.232 50 0 JIAARN COc1ccc(C(=O)N2C[C@@H](C(=O)NCc3cccnc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000036021572 569750195 /nfs/dbraw/zinc/75/01/95/569750195.db2.gz UCQSIIOBEMJTQX-DHIUTWEWSA-N 0 0 483.490 4.281 50 0 JIAARN COCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(NCCNC(=O)c2ccccc2Cl)n1 ZINC000036024912 569750465 /nfs/dbraw/zinc/75/04/65/569750465.db2.gz OMUQUEBOYJOUMC-UHFFFAOYSA-N 0 0 464.957 4.074 50 0 JIAARN CC[C@H](C)CN1C(=O)[C@H](Cc2ccccc2)NC12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000036026580 569750805 /nfs/dbraw/zinc/75/08/05/569750805.db2.gz KXTBKBHQGSIAIV-CVDCTZTESA-N 0 0 454.014 4.362 50 0 JIAARN CC(C)Cn1c(CN(Cc2ccco2)C(=O)C2CC2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030089 569751497 /nfs/dbraw/zinc/75/14/97/569751497.db2.gz KHKKUPRFJHVGAX-UHFFFAOYSA-N 0 0 455.580 4.045 50 0 JIAARN O=C(CS[C@@H]1CC(=O)N(c2cccc(Br)c2)C1=O)Nc1ccc(Br)cc1 ZINC000100033980 569751666 /nfs/dbraw/zinc/75/16/66/569751666.db2.gz MEZOTDYHVSSYDO-OAHLLOKOSA-N 0 0 498.196 4.215 50 0 JIAARN CC(C)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C(=O)C1CCCC1 ZINC000036030698 569751680 /nfs/dbraw/zinc/75/16/80/569751680.db2.gz JYRUFIAHDBNUKJ-QFIPXVFZSA-N 0 0 491.629 4.102 50 0 JIAARN COc1cccc(CS(=O)(=O)c2ncc(CN(CC3CC3)C(=O)NC(C)(C)C)n2CC(C)C)c1 ZINC000036031464 569752043 /nfs/dbraw/zinc/75/20/43/569752043.db2.gz IORUAIQKFJDWCN-UHFFFAOYSA-N 0 0 490.670 4.242 50 0 JIAARN CC[C@@H](C)CN1C(=O)[C@H](CC(C)C)NC12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036038441 569752344 /nfs/dbraw/zinc/75/23/44/569752344.db2.gz QADFWPDYGRMPKE-UZLBHIALSA-N 0 0 490.497 4.367 50 0 JIAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2Cl)n1CCOC)C(=O)c1ccc(C)cc1 ZINC000036039939 569752795 /nfs/dbraw/zinc/75/27/95/569752795.db2.gz OIMXNMBMTREFNC-UHFFFAOYSA-N 0 0 490.025 4.128 50 0 JIAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1Cc1ccccc1)CC1CC1 ZINC000036040595 569753195 /nfs/dbraw/zinc/75/31/95/569753195.db2.gz MCFKDTIVHXRQPA-UHFFFAOYSA-N 0 0 480.634 4.155 50 0 JIAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(OC)cc1)C(=O)c1ccccc1 ZINC000036040849 569753490 /nfs/dbraw/zinc/75/34/90/569753490.db2.gz BJNZJLWHZYXDJU-UHFFFAOYSA-N 0 0 484.556 4.275 50 0 JIAARN COc1ccc(CN(C(=O)Nc2ccccc2)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000100166927 569754510 /nfs/dbraw/zinc/75/45/10/569754510.db2.gz MLYULPULNYEQKD-HSZRJFAPSA-N 0 0 459.502 4.070 50 0 JIAARN COc1cccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)NC(C)(C)C)c1 ZINC000036043228 569754696 /nfs/dbraw/zinc/75/46/96/569754696.db2.gz AUPRXLSCIZFGGY-OSPHWJPCSA-N 0 0 455.599 4.298 50 0 JIAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2CNC(=O)c2ccc(OC)cc2)cc1 ZINC000036048253 569755806 /nfs/dbraw/zinc/75/58/06/569755806.db2.gz JPQLTHXVOCTXJX-VWLOTQADSA-N 0 0 476.573 4.250 50 0 biogenic JIAARN CCC(=O)N(CC(=O)Nc1nc(-c2cccc(OC)c2)cn1-c1ccc(OC)cc1)CC(C)C ZINC000036049219 569756127 /nfs/dbraw/zinc/75/61/27/569756127.db2.gz ZCOOULDSTRPUAZ-UHFFFAOYSA-N 0 0 464.566 4.390 50 0 JIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000036116471 569756740 /nfs/dbraw/zinc/75/67/40/569756740.db2.gz PKCNZJQXQWOEOB-TZIWHRDSSA-N 0 0 492.041 4.117 50 0 JIAARN COc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(C)=O)cc3)[C@@H]2C(=O)Nc2ccccc2)c1 ZINC000036221080 569757501 /nfs/dbraw/zinc/75/75/01/569757501.db2.gz PYCJFFHHSUUDJV-RPWUZVMVSA-N 0 0 459.502 4.354 50 0 JIAARN O=C(NCc1ccccn1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036253481 569758657 /nfs/dbraw/zinc/75/86/57/569758657.db2.gz SHFKFCRRLARMGU-JOCHJYFZSA-N 0 0 475.420 4.021 50 0 JIAARN O=C(c1ccccc1)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000036313299 569760859 /nfs/dbraw/zinc/76/08/59/569760859.db2.gz PEKAELVJJVQXQW-HXUWFJFHSA-N 0 0 465.525 4.139 50 0 JIAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2)C1 ZINC000036341614 569764645 /nfs/dbraw/zinc/76/46/45/569764645.db2.gz NUAYVPWKJQMUIY-CVDCTZTESA-N 0 0 453.970 4.293 50 0 JIAARN O=C(CN1CCN(c2ccccc2F)CC1)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1 ZINC000036341620 569764712 /nfs/dbraw/zinc/76/47/12/569764712.db2.gz PLODCDHBPHISSE-AREMUKBSSA-N 0 0 460.528 4.465 50 0 JIAARN COc1ccc(CN(C(=S)Nc2ccccc2)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000100568941 569765006 /nfs/dbraw/zinc/76/50/06/569765006.db2.gz IOPWFRBLZNMHGU-JOCHJYFZSA-N 0 0 463.534 4.365 50 0 JIAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000036342270 569765602 /nfs/dbraw/zinc/76/56/02/569765602.db2.gz NFPDJOGBBPFXCJ-ZEQRLZLVSA-N 0 0 483.996 4.444 50 0 JIAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1C ZINC000036342795 569766108 /nfs/dbraw/zinc/76/61/08/569766108.db2.gz SOKRHFSBRCEXDR-DQEYMECFSA-N 0 0 463.578 4.099 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCc3ccccc3C2)c(OC)c1 ZINC000036343353 569766318 /nfs/dbraw/zinc/76/63/18/569766318.db2.gz YNYLCHGMRLKADY-AREMUKBSSA-N 0 0 455.558 4.440 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2cccc(OC)c2)C1 ZINC000036345669 569768038 /nfs/dbraw/zinc/76/80/38/569768038.db2.gz DXAQKKGHBTVPCG-GJZUVCINSA-N 0 0 477.605 4.265 50 0 JIAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2cccc(OC)c2)CC1 ZINC000036345663 569768082 /nfs/dbraw/zinc/76/80/82/569768082.db2.gz GUFNCOWTGVNWFI-SANMLTNESA-N 0 0 477.605 4.265 50 0 JIAARN CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n(CC)c21 ZINC000100820383 569770925 /nfs/dbraw/zinc/77/09/25/569770925.db2.gz NSLATZADDVAZRH-IZHYLOQSSA-N 0 0 487.647 4.283 50 0 JIAARN CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)n(CC)c21 ZINC000100820372 569770953 /nfs/dbraw/zinc/77/09/53/569770953.db2.gz CYBXMNBJPMUUSB-VHXPQNKSSA-N 0 0 473.620 4.037 50 0 JIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(Cl)ccc4n3C)cc2)C1 ZINC000100837238 569771945 /nfs/dbraw/zinc/77/19/45/569771945.db2.gz CNFLIWDNRCUDEL-WYBZZVDGSA-N 0 0 478.039 4.301 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3c(ccc4ccccc34)n2C)cc1 ZINC000100842373 569772151 /nfs/dbraw/zinc/77/21/51/569772151.db2.gz SBUNIZFUNIRUSI-WCWDXBQESA-N 0 0 453.589 4.165 50 0 JIAARN CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000036359679 569772450 /nfs/dbraw/zinc/77/24/50/569772450.db2.gz HTYDICKDNDACSX-HSZRJFAPSA-N 0 0 468.985 4.359 50 0 JIAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NC[C@H](O)c3ccccc3)nn1-c1ccccc1F)C2 ZINC000036365176 569772889 /nfs/dbraw/zinc/77/28/89/569772889.db2.gz UOIZZUOVWOUGLL-QFIPXVFZSA-N 0 0 473.504 4.063 50 0 JIAARN CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(C/C=C/c4ccccc4)CC3)c2c1 ZINC000036369960 569773219 /nfs/dbraw/zinc/77/32/19/569773219.db2.gz HKSFQRSIIMGMLD-UPXASZCJSA-N 0 0 460.578 4.219 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000036370281 569773381 /nfs/dbraw/zinc/77/33/81/569773381.db2.gz PALCYXHBMKCQPM-DVECYGJZSA-N 0 0 473.639 4.426 50 0 JIAARN COC(=O)c1sccc1S(=O)(=O)N(C)[C@H](C)c1ccc(-n2cnc3ccccc32)cc1 ZINC000036391685 569774526 /nfs/dbraw/zinc/77/45/26/569774526.db2.gz JESMPDVNBAAQCU-OAHLLOKOSA-N 0 0 455.561 4.255 50 0 JIAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 ZINC000100894347 569774590 /nfs/dbraw/zinc/77/45/90/569774590.db2.gz HUIYPMWXPZQSQU-ZRBLBEILSA-N 0 0 464.905 4.408 50 0 JIAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000036392937 569774652 /nfs/dbraw/zinc/77/46/52/569774652.db2.gz HAXFMTGJAPTUBB-VAWYXSNFSA-N 0 0 452.505 4.342 50 0 JIAARN O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000036394833 569774749 /nfs/dbraw/zinc/77/47/49/569774749.db2.gz GDCZPARVQSVOSQ-UHFFFAOYSA-N 0 0 473.501 4.192 50 0 JIAARN CC(C)N(C(=O)CN1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1)C(C)C ZINC000036395254 569774912 /nfs/dbraw/zinc/77/49/12/569774912.db2.gz RWNNJQZWDIIUOT-QGZVFWFLSA-N 0 0 467.536 4.079 50 0 JIAARN Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nc(N4C(=O)CCC4=O)nn32)cc1 ZINC000100908503 569775112 /nfs/dbraw/zinc/77/51/12/569775112.db2.gz XPLZIHQGBJEZDB-GOSISDBHSA-N 0 0 464.323 4.058 50 0 JIAARN C[C@H](Sc1ncnc2c1cnn2C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000036397069 569775146 /nfs/dbraw/zinc/77/51/46/569775146.db2.gz KAWBZFXRAFTDFI-SCLBCKFNSA-N 0 0 466.954 4.468 50 0 JIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCCCC3)N2[C@@H]1c1ccc(OC)cc1 ZINC000100941373 569776894 /nfs/dbraw/zinc/77/68/94/569776894.db2.gz JUKWBNMAPLCNLK-JOCHJYFZSA-N 0 0 455.580 4.282 50 0 JIAARN CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2F)N2C(CC(=O)NC[C@@H]3CCCO3)=CSC2=N1 ZINC000100940088 569776946 /nfs/dbraw/zinc/77/69/46/569776946.db2.gz RBWNRISHRHOHQO-HTAPYJJXSA-N 0 0 487.597 4.428 50 0 JIAARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(F)c2)N2C(CC(=O)NC[C@@H]3CCCO3)=CSC2=N1 ZINC000100943284 569777019 /nfs/dbraw/zinc/77/70/19/569777019.db2.gz JZJVZSRNEHMTCY-UGKGYDQZSA-N 0 0 473.570 4.038 50 0 JIAARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(F)c2)N2C(CC(=O)NC[C@H]3CCCO3)=CSC2=N1 ZINC000100943289 569777075 /nfs/dbraw/zinc/77/70/75/569777075.db2.gz JZJVZSRNEHMTCY-DENIHFKCSA-N 0 0 473.570 4.038 50 0 JIAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1 ZINC000101096037 569782439 /nfs/dbraw/zinc/78/24/39/569782439.db2.gz IOPUDVILEIXGOS-UHFFFAOYSA-N 0 0 455.536 4.297 50 0 JIAARN O=C(NC1CC1)c1coc(COc2ccc3c(c2)[C@@H](c2cccc(F)c2)N(C(=O)C2CC2)CC3)n1 ZINC000037282176 569783032 /nfs/dbraw/zinc/78/30/32/569783032.db2.gz DGXHVPAGDXKKPO-RUZDIDTESA-N 0 0 475.520 4.169 50 0 JIAARN COCCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(NC(=O)c3ccccc3F)cc2)n1 ZINC000037285152 569783078 /nfs/dbraw/zinc/78/30/78/569783078.db2.gz MCTRGSASANAGDE-UHFFFAOYSA-N 0 0 462.481 4.360 50 0 JIAARN COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000101129831 569783886 /nfs/dbraw/zinc/78/38/86/569783886.db2.gz AKSBUIYBTCXUBN-ZLNRFVROSA-N 0 0 476.916 4.173 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)C3CCCC3)CC2)n1 ZINC000037377265 569784479 /nfs/dbraw/zinc/78/44/79/569784479.db2.gz JNQFUOBWMOIARZ-UHFFFAOYSA-N 0 0 464.589 4.444 50 0 JIAARN CCC[C@H](C)c1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)C3CC3)CC2)n1 ZINC000037378723 569784622 /nfs/dbraw/zinc/78/46/22/569784622.db2.gz NHEJLXBRIFOTSW-INIZCTEOSA-N 0 0 450.562 4.225 50 0 JIAARN CC[C@H](C)NC(=O)CCN(CCCN1CCOCC1)c1nc(-c2ccc(F)cc2)nc2ccccc21 ZINC000037383126 569785392 /nfs/dbraw/zinc/78/53/92/569785392.db2.gz ZALPRMJCPUBDJZ-NRFANRHFSA-N 0 0 493.627 4.269 50 0 JIAARN COCCOc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000037384897 569785916 /nfs/dbraw/zinc/78/59/16/569785916.db2.gz RNBNFDTWEQUPAL-UHFFFAOYSA-N 0 0 450.445 4.490 50 0 JIAARN COCCOc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000037396545 569786511 /nfs/dbraw/zinc/78/65/11/569786511.db2.gz YZQBORPDCRQYJS-UHFFFAOYSA-N 0 0 450.445 4.490 50 0 JIAARN COCCNC(=O)c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 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COc1ccc(OC)c(NC(=O)N2CCN(Cc3nc4cccnc4n3-c3ccc(C)cc3)CC2)c1 ZINC000047147630 569845343 /nfs/dbraw/zinc/84/53/43/569845343.db2.gz WKTZDOOEKJGJBK-UHFFFAOYSA-N 0 0 486.576 4.096 50 0 JIAARN CCOc1ccc(-n2c(CN3CCN(C(=O)NCc4ccc(C)cc4)CC3)nc3cccnc32)cc1 ZINC000047147532 569845345 /nfs/dbraw/zinc/84/53/45/569845345.db2.gz MUMVHDXDIGEJPF-UHFFFAOYSA-N 0 0 484.604 4.155 50 0 JIAARN O=C1[C@@H]2ON(c3ccc(Br)cc3)[C@H](c3cccnc3)[C@H]2C(=O)N1C1CCCCC1 ZINC000104445640 569845779 /nfs/dbraw/zinc/84/57/79/569845779.db2.gz JNFUVUMHVIBJRM-VAMGGRTRSA-N 0 0 456.340 4.023 50 0 JIAARN COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c1 ZINC000048374427 569846091 /nfs/dbraw/zinc/84/60/91/569846091.db2.gz PGNCTMAGXOKWHW-MDWZMJQESA-N 0 0 473.591 4.367 50 0 JIAARN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@@H]1[C@H](C(=O)NCCc1ccccc1)C2 ZINC000104916794 569847043 /nfs/dbraw/zinc/84/70/43/569847043.db2.gz MSPRSAPAQDPZQJ-IXCJQBJRSA-N 0 0 455.602 4.230 50 0 JIAARN Cc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 ZINC000051316131 569850476 /nfs/dbraw/zinc/85/04/76/569850476.db2.gz SUFWSVRYUNLKCR-UHFFFAOYSA-N 0 0 478.346 4.170 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)NCc1ccc(F)cc1F ZINC000051357634 569852050 /nfs/dbraw/zinc/85/20/50/569852050.db2.gz HNUIKEMWDOXLNB-UHFFFAOYSA-N 0 0 469.488 4.271 50 0 JIAARN Cc1ccc2c(c1)N(C(=O)CSc1nc3ccccc3c(=O)n1Cc1ccc(F)cc1)CCO2 ZINC000051357566 569852070 /nfs/dbraw/zinc/85/20/70/569852070.db2.gz OGSJBXIXHKONPB-UHFFFAOYSA-N 0 0 475.545 4.410 50 0 JIAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2ccc(C)cc2C)cn3C2CC2)CC1 ZINC000051364315 569852148 /nfs/dbraw/zinc/85/21/48/569852148.db2.gz SRJRYOCFKPKZMA-UHFFFAOYSA-N 0 0 462.569 4.487 50 0 JIAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cc(C)ccc2C)cn3C2CC2)CC1 ZINC000051364316 569852168 /nfs/dbraw/zinc/85/21/68/569852168.db2.gz LKVAUFHAASEJOW-UHFFFAOYSA-N 0 0 462.569 4.487 50 0 JIAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cc(F)ccc2C)cn3C2CC2)CC1 ZINC000051364346 569852230 /nfs/dbraw/zinc/85/22/30/569852230.db2.gz JDXVZXIHDIXWAK-UHFFFAOYSA-N 0 0 466.532 4.317 50 0 JIAARN CCOc1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@H](C=Cc4ccccc4)[C@H]3C2=O)cc1 ZINC000105312641 569852785 /nfs/dbraw/zinc/85/27/85/569852785.db2.gz WFVXIJBRKAUYAT-CKOWCDASSA-N 0 0 464.568 4.296 50 0 JIAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2[C@H]2CCCN21 ZINC000106018858 569853691 /nfs/dbraw/zinc/85/36/91/569853691.db2.gz KPDRMPVLXMQCKG-LCRZVWJLSA-N 0 0 490.774 4.386 50 0 JIAARN COc1cccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000108522258 569859510 /nfs/dbraw/zinc/85/95/10/569859510.db2.gz NTSGWDVOSCHMQR-NVGWLYTESA-N 0 0 482.511 4.397 50 0 JIAARN Cc1cc2oc(=O)cc(CN3CCC[C@@H](NC(=O)[C@H]4CCCN(C(=O)OC(C)(C)C)C4)C3)c2cc1C ZINC000109041997 569860448 /nfs/dbraw/zinc/86/04/48/569860448.db2.gz OZXFILOLKOWSRY-RBBKRZOGSA-N 0 0 497.636 4.138 50 0 JIAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(OC(F)F)cc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000138102351 569865640 /nfs/dbraw/zinc/86/56/40/569865640.db2.gz WJIBTSVQFRQWPY-BHDDXSALSA-N 0 0 450.441 4.335 50 0 JIAARN Cc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)cc1 ZINC000169679681 569869919 /nfs/dbraw/zinc/86/99/19/569869919.db2.gz QASOYFUTMROAOS-CYFREDJKSA-N 0 0 468.667 4.045 50 0 JIAARN CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(C(C)C)cc4)C3)c(C)cc2NC1=O ZINC000169683951 569871196 /nfs/dbraw/zinc/87/11/96/569871196.db2.gz YGTXYGCBRSYDPS-KNQAVFIVSA-N 0 0 499.633 4.267 50 0 JIAARN CCOc1ccc(CC(=O)N[C@@H]2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cc1OCC ZINC000169753789 569871678 /nfs/dbraw/zinc/87/16/78/569871678.db2.gz MYUUMRJCYSONJV-HXUWFJFHSA-N 0 0 468.985 4.465 50 0 JIAARN COc1ccc(CN2C=C(C(=O)OCc3ccc(C(C)(C)C)cc3)C(C)=NS2(=O)=O)cc1 ZINC000169755167 569871705 /nfs/dbraw/zinc/87/17/05/569871705.db2.gz LPCKONSKHGFVNL-UHFFFAOYSA-N 0 0 456.564 4.141 50 0 JIAARN COc1cccc([C@H]2Cn3nnc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)c3CO2)c1 ZINC000169758450 569871948 /nfs/dbraw/zinc/87/19/48/569871948.db2.gz NUOXEZMDBKRDLD-QGZVFWFLSA-N 0 0 459.384 4.174 50 0 JIAARN Cc1ccc(CNC(=O)C2CCN(C(=O)c3ncn4c3CO[C@H](c3ccc(Cl)cc3)C4)CC2)cc1 ZINC000169758650 569872021 /nfs/dbraw/zinc/87/20/21/569872021.db2.gz FUWJRLFOODOIBD-DEOSSOPVSA-N 0 0 493.007 4.285 50 0 JIAARN Cc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCc5cccc(Cl)c5)CC4)c3CO2)cc1 ZINC000169758927 569872217 /nfs/dbraw/zinc/87/22/17/569872217.db2.gz JEYSHIQDVNZIOF-DEOSSOPVSA-N 0 0 493.007 4.285 50 0 JIAARN O=C(Nc1ccc2c(c1)CCC2)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 ZINC000169759049 569872272 /nfs/dbraw/zinc/87/22/72/569872272.db2.gz PWUPQYUUCOXXIQ-RUZDIDTESA-N 0 0 488.563 4.273 50 0 JIAARN CCOc1cccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2ccco2)c1 ZINC000170612641 569872841 /nfs/dbraw/zinc/87/28/41/569872841.db2.gz YWHZMLWSPOHXRC-NRFANRHFSA-N 0 0 453.520 4.041 50 0 JIAARN COc1cc(OC)cc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccccc3OC)C2)c1 ZINC000170615285 569872972 /nfs/dbraw/zinc/87/29/72/569872972.db2.gz 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Cc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000012786387 195128557 /nfs/dbraw/zinc/12/85/57/195128557.db2.gz JWIMOXMWRHYCKG-UHFFFAOYSA-N 0 0 466.525 4.394 50 0 JIAARN COc1cc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3F)o2)cc(OC)c1OC ZINC000012787133 195128918 /nfs/dbraw/zinc/12/89/18/195128918.db2.gz XQYYSWJSEHSYSV-LBPRGKRZSA-N 0 0 463.487 4.105 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccc4cccnc43)cc2)cc1 ZINC000012787267 195128930 /nfs/dbraw/zinc/12/89/30/195128930.db2.gz UOSXEDGHDGCYOK-UHFFFAOYSA-N 0 0 459.527 4.168 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000012787750 195129411 /nfs/dbraw/zinc/12/94/11/195129411.db2.gz DFCVOBPGEAQBCG-RSXGOPAZSA-N 0 0 498.583 4.035 50 0 JIAARN CCOC(=O)/C=C/c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000012787950 195129449 /nfs/dbraw/zinc/12/94/49/195129449.db2.gz FEQGBHYDSLKEOA-GZTJUZNOSA-N 0 0 470.591 4.009 50 0 JIAARN COc1ccccc1-c1nn(-c2ccccc2)cc1/C=C/C(=O)N1CCN(c2ccccn2)CC1 ZINC000012788039 195129457 /nfs/dbraw/zinc/12/94/57/195129457.db2.gz DRFHHOFAQRQHPK-CCEZHUSRSA-N 0 0 465.557 4.305 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000012787762 195129498 /nfs/dbraw/zinc/12/94/98/195129498.db2.gz DFCVOBPGEAQBCG-AHWVRZQESA-N 0 0 498.583 4.035 50 0 JIAARN COc1ccccc1CNC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000012787694 195129512 /nfs/dbraw/zinc/12/95/12/195129512.db2.gz SRQNASOKUAOGEB-UHFFFAOYSA-N 0 0 452.576 4.214 50 0 JIAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012788501 195129928 /nfs/dbraw/zinc/12/99/28/195129928.db2.gz XCBXSHYQGCWKGZ-UHFFFAOYSA-N 0 0 473.373 4.250 50 0 JIAARN CCNC(=O)COc1ccc(/C=C2\CCn3c2nc2c(Cl)cc(Cl)cc2c3=O)cc1OC ZINC000012791089 195131836 /nfs/dbraw/zinc/13/18/36/195131836.db2.gz QETKSBPGWTZOAD-RIYZIHGNSA-N 0 0 474.344 4.171 50 0 JIAARN CCc1ccc(-c2csc(NC(=O)CSc3nnc(Cc4ccccc4F)n3N)n2)cc1 ZINC000012791490 195132424 /nfs/dbraw/zinc/13/24/24/195132424.db2.gz INHWQSCOLLGJPP-UHFFFAOYSA-N 0 0 468.583 4.139 50 0 JIAARN CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)cc1 ZINC000012792741 195133275 /nfs/dbraw/zinc/13/32/75/195133275.db2.gz HJQFILLLLNWVIA-HSZRJFAPSA-N 0 0 486.366 4.084 50 0 JIAARN COc1ccc(-c2cc(NC(=O)c3ccccc3SC[C@@]3(C)NC(=O)NC3=O)ccc2OC)cc1 ZINC000012793036 195133408 /nfs/dbraw/zinc/13/34/08/195133408.db2.gz IOAOSDAVXMBNFF-AREMUKBSSA-N 0 0 491.569 4.313 50 0 JIAARN CCc1ccc([C@H](C)NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000012793063 195133567 /nfs/dbraw/zinc/13/35/67/195133567.db2.gz FWJIAKVLTVZGCM-XJKSGUPXSA-N 0 0 471.442 4.104 50 0 JIAARN O=C(Nc1ccc(-c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)cc1)c1ccco1 ZINC000012793087 195133591 /nfs/dbraw/zinc/13/35/91/195133591.db2.gz PLOPOHNOWUXDNA-UHFFFAOYSA-N 0 0 495.582 4.343 50 0 JIAARN CN(C(=O)CSc1nnc(NC[C@H]2CCCO2)s1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000012792839 195133600 /nfs/dbraw/zinc/13/36/00/195133600.db2.gz REQAOWQXJZNCJQ-IVZQSRNASA-N 0 0 495.070 4.372 50 0 JIAARN CCOc1ccc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1OCC ZINC000012794375 195134543 /nfs/dbraw/zinc/13/45/43/195134543.db2.gz FMZWHPTZOLRDFN-QGZVFWFLSA-N 0 0 478.586 4.289 50 0 JIAARN O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000012794585 195134881 /nfs/dbraw/zinc/13/48/81/195134881.db2.gz NBVOTDXBDDHHND-UHFFFAOYSA-N 0 0 460.905 4.076 50 0 JIAARN COc1ccc(-c2nnn(CC(=O)N3c4ccccc4SC[C@@H]3c3ccccc3)n2)cc1OC ZINC000012795359 195135203 /nfs/dbraw/zinc/13/52/03/195135203.db2.gz ZHIZWSYXAHPJKT-HXUWFJFHSA-N 0 0 473.558 4.238 50 0 JIAARN CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000012795365 195135475 /nfs/dbraw/zinc/13/54/75/195135475.db2.gz DGLGAACSYYMNIG-HFVAVPBGSA-N 0 0 451.611 4.127 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C/c2ccc(Br)s2)c1 ZINC000012796368 195136239 /nfs/dbraw/zinc/13/62/39/195136239.db2.gz UWRSURFSXNQBFZ-YRNVUSSQSA-N 0 0 473.414 4.202 50 0 JIAARN CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000012800686 195139040 /nfs/dbraw/zinc/13/90/40/195139040.db2.gz DIVNQHYTBKASQY-VGOFRKELSA-N 0 0 490.691 4.117 50 0 JIAARN O=C(Cn1cnc2cc(-c3ccccc3)sc2c1=O)NCc1ccccc1OC(F)(F)F ZINC000012804710 195141032 /nfs/dbraw/zinc/14/10/32/195141032.db2.gz ZXIAFWNGLFYNKM-UHFFFAOYSA-N 0 0 459.449 4.340 50 0 JIAARN Cc1ccc([C@@H](NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c2ccccc2)cc1C ZINC000012806612 195141967 /nfs/dbraw/zinc/14/19/67/195141967.db2.gz WIJKRQXMXPRJGQ-LITSAYRRSA-N 0 0 467.569 4.293 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)Cc2ccco2)cc1 ZINC000012808933 195143329 /nfs/dbraw/zinc/14/33/29/195143329.db2.gz NWIWFXAOHOBZGE-UHFFFAOYSA-N 0 0 464.902 4.104 50 0 JIAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000012809578 195143567 /nfs/dbraw/zinc/14/35/67/195143567.db2.gz PFSIUYAIIYVPNE-HNNXBMFYSA-N 0 0 461.349 4.155 50 0 JIAARN CCCN(CC(=O)Nc1ccccc1OC)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012810530 195144068 /nfs/dbraw/zinc/14/40/68/195144068.db2.gz VUOUXAYBGBKTBP-UHFFFAOYSA-N 0 0 452.536 4.104 50 0 JIAARN C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1Br ZINC000012812137 195144720 /nfs/dbraw/zinc/14/47/20/195144720.db2.gz BZHIOFNJPRYJPD-INIZCTEOSA-N 0 0 480.428 4.184 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)c1 ZINC000012813541 195145834 /nfs/dbraw/zinc/14/58/34/195145834.db2.gz DQXDTLHJIYCLCQ-UHFFFAOYSA-N 0 0 493.629 4.361 50 0 JIAARN COc1ccc2c(c1)CCC[C@@]21NC(=O)N([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1=O ZINC000012815021 195146538 /nfs/dbraw/zinc/14/65/38/195146538.db2.gz MGVOUMHCKUGSOX-XDBZFTIUSA-N 0 0 469.541 4.473 50 0 JIAARN CN1CCCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c2nc3ccccc3nc21 ZINC000012818428 195148018 /nfs/dbraw/zinc/14/80/18/195148018.db2.gz YSCBRMKCLJSEQY-UHFFFAOYSA-N 0 0 466.954 4.298 50 0 JIAARN COc1ccc(Br)cc1-c1nc(COC(=O)C[C@H]2Oc3ccccc3NC2=O)cs1 ZINC000012823749 195150259 /nfs/dbraw/zinc/15/02/59/195150259.db2.gz SPLFQDZEHLHJKN-GOSISDBHSA-N 0 0 489.347 4.414 50 0 JIAARN CC(=O)Nc1ccc2c(CSc3ncnc4c3cnn4-c3ccc(F)cc3)cc(=O)oc2c1 ZINC000012823371 195150311 /nfs/dbraw/zinc/15/03/11/195150311.db2.gz KOLWFDGHGRHQCV-UHFFFAOYSA-N 0 0 461.478 4.312 50 0 JIAARN Cc1ccc([C@H]2C[C@H](C(F)F)n3ncc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)c3N2)cc1 ZINC000012845028 195151918 /nfs/dbraw/zinc/15/19/18/195151918.db2.gz RHGLGVYKKHGCGU-FGZHOGPDSA-N 0 0 495.530 4.279 50 0 JIAARN O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1Br ZINC000012853199 195155821 /nfs/dbraw/zinc/15/58/21/195155821.db2.gz KPEYGHFDDXFQND-UHFFFAOYSA-N 0 0 457.294 4.014 50 0 JIAARN O=C(OCc1cc(-c2cccs2)on1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000012855443 195157316 /nfs/dbraw/zinc/15/73/16/195157316.db2.gz LVKSPWWWQYIUEE-UHFFFAOYSA-N 0 0 450.513 4.074 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)CC2)c1 ZINC000012861186 195159224 /nfs/dbraw/zinc/15/92/24/195159224.db2.gz RUUJAEINPCZDML-UHFFFAOYSA-N 0 0 488.009 4.078 50 0 JIAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012867949 195162101 /nfs/dbraw/zinc/16/21/01/195162101.db2.gz WUXWVWZOTUOJQS-UHFFFAOYSA-N 0 0 494.400 4.114 50 0 JIAARN O=C(Cc1ccccc1)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 ZINC000012868590 195162524 /nfs/dbraw/zinc/16/25/24/195162524.db2.gz LDEPIUABFBSPQU-XMMPIXPASA-N 0 0 450.332 4.385 50 0 JIAARN Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000012872911 195164488 /nfs/dbraw/zinc/16/44/88/195164488.db2.gz FPZAHEPCBLKPEO-CSKARUKUSA-N 0 0 451.954 4.345 50 0 JIAARN COC(=O)C[C@@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(Br)cc1 ZINC000012874148 195165191 /nfs/dbraw/zinc/16/51/91/195165191.db2.gz NHOJDWUWEAWHEY-MRXNPFEDSA-N 0 0 460.353 4.310 50 0 JIAARN COc1ccccc1CN1CC(=O)N2C[C@H](c3ccccc3OC)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012875014 195165389 /nfs/dbraw/zinc/16/53/89/195165389.db2.gz MIBWZNPNBQFEND-RCRUUEGKSA-N 0 0 495.579 4.417 50 0 biogenic JIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)oc1c3CCCC1 ZINC000012890378 195172571 /nfs/dbraw/zinc/17/25/71/195172571.db2.gz ZQHGTLJKPRUGRW-MSOLQXFVSA-N 0 0 484.552 4.077 50 0 biogenic JIAARN CCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(OCC)cc1 ZINC000012892565 195173890 /nfs/dbraw/zinc/17/38/90/195173890.db2.gz XCDMZADPLUXQKZ-UHFFFAOYSA-N 0 0 476.595 4.417 50 0 JIAARN Cc1ccc(CSCCNC(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 ZINC000012892846 195173953 /nfs/dbraw/zinc/17/39/53/195173953.db2.gz LBDLKLGUECUJGG-UHFFFAOYSA-N 0 0 473.689 4.455 50 0 JIAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000012896301 195175285 /nfs/dbraw/zinc/17/52/85/195175285.db2.gz WBZKQHQJBSBGAG-SANMLTNESA-N 0 0 484.537 4.132 50 0 JIAARN COc1ccc(CN(C)C(=O)CSc2nnc(-c3cccc(Br)c3)o2)cc1OC ZINC000012901055 195177284 /nfs/dbraw/zinc/17/72/84/195177284.db2.gz VRWCEVUVKRKEBM-UHFFFAOYSA-N 0 0 478.368 4.267 50 0 JIAARN COc1ccc(-c2csc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)n2)cc1Cl ZINC000012897880 195176151 /nfs/dbraw/zinc/17/61/51/195176151.db2.gz PEJRCCMXFYDZDO-UHFFFAOYSA-N 0 0 463.968 4.047 50 0 JIAARN CCOc1ccccc1NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000012897869 195176195 /nfs/dbraw/zinc/17/61/95/195176195.db2.gz AQYAEVPGTASBFM-HHHXNRCGSA-N 0 0 455.514 4.203 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnc([C@H]2COc3ccccc3O2)o1 ZINC000012862480 195160067 /nfs/dbraw/zinc/16/00/67/195160067.db2.gz MPZMXFCILWRGSR-LJQANCHMSA-N 0 0 463.519 4.115 50 0 JIAARN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000012863020 195160092 /nfs/dbraw/zinc/16/00/92/195160092.db2.gz SLZFGRMUYPZEOH-DXPJPUQTSA-N 0 0 473.485 4.002 50 0 JIAARN COc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4ccc(Br)cc4F)CC3=O)c2c1 ZINC000012863283 195160229 /nfs/dbraw/zinc/16/02/29/195160229.db2.gz YZJHUHDASAZFLY-AWEZNQCLSA-N 0 0 474.330 4.108 50 0 JIAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NC[C@@H](CC(C)C)N4CCOCC4)cc3)ccc12 ZINC000012864254 195160793 /nfs/dbraw/zinc/16/07/93/195160793.db2.gz JGYRTGSFNGBXCX-HSZRJFAPSA-N 0 0 478.589 4.157 50 0 JIAARN O=C(C[C@H]1Oc2ccccc2NC1=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000012903861 195178599 /nfs/dbraw/zinc/17/85/99/195178599.db2.gz AYVPKBUBECRHLS-HSZRJFAPSA-N 0 0 456.477 4.084 50 0 JIAARN Cn1cc(C(=O)OCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cn1 ZINC000012904613 195178790 /nfs/dbraw/zinc/17/87/90/195178790.db2.gz BSJPKEXXQYBUAN-UHFFFAOYSA-N 0 0 450.495 4.073 50 0 JIAARN C[C@H](NC(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000012906454 195179825 /nfs/dbraw/zinc/17/98/25/195179825.db2.gz ZRGPSXUNXQVUDP-INIZCTEOSA-N 0 0 471.575 4.199 50 0 JIAARN CC[C@@H](C(=O)Nc1c(C)nn(Cc2c(C)nn(C)c2C)c1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607567 195181450 /nfs/dbraw/zinc/18/14/50/195181450.db2.gz HDUVSMGAHKLXLU-SFHVURJKSA-N 0 0 477.535 4.192 50 0 JIAARN C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 ZINC000020608132 195181743 /nfs/dbraw/zinc/18/17/43/195181743.db2.gz 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O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000021940195 195338938 /nfs/dbraw/zinc/33/89/38/195338938.db2.gz VVWGZVASOXGOFL-CQSZACIVSA-N 0 0 466.332 4.207 50 0 JIAARN Cc1nn(C)c(C)c1CNC(=O)c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)c(C)o2)cc1 ZINC000021941761 195339071 /nfs/dbraw/zinc/33/90/71/195339071.db2.gz XKTIZOGDHRXVLL-UHFFFAOYSA-N 0 0 498.631 4.253 50 0 JIAARN CC(=O)Oc1ccc([C@H]2OC(c3cc(C4CC4)nc4ccccc43)=NN2C(C)=O)c(OC(C)=O)c1 ZINC000021941284 195339121 /nfs/dbraw/zinc/33/91/21/195339121.db2.gz ALDLWBTVBCTJLR-AREMUKBSSA-N 0 0 473.485 4.202 50 0 JIAARN O=C(CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O)Nc1ccc(F)cc1F ZINC000021942500 195339540 /nfs/dbraw/zinc/33/95/40/195339540.db2.gz DTYVXFLWDUYTKE-UHFFFAOYSA-N 0 0 461.877 4.014 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)Cn1c2ccsc2c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000057426520 195340698 /nfs/dbraw/zinc/34/06/98/195340698.db2.gz KKKYQAHRWKYECG-UHFFFAOYSA-N 0 0 457.914 4.013 50 0 JIAARN COc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccccc3Cl)n2)cc1OC 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Cc1cc(C(=O)CN2CCC(c3nc4ccccc4s3)CC2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000058160652 195368557 /nfs/dbraw/zinc/36/85/57/195368557.db2.gz VIKXJXPNMNJQPT-LJQANCHMSA-N 0 0 471.648 4.137 50 0 JIAARN O=C(CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)NCCc1ccc(OC(F)F)cc1 ZINC000058161836 195369051 /nfs/dbraw/zinc/36/90/51/195369051.db2.gz ABDIOUPCDOMLKI-SFHVURJKSA-N 0 0 474.483 4.015 50 0 JIAARN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)ccc1O ZINC000058172736 195371123 /nfs/dbraw/zinc/37/11/23/195371123.db2.gz BTEZNHHFUFTAFU-UHFFFAOYSA-N 0 0 450.563 4.204 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CN1CCC[C@H](C(F)(F)F)C1)CC2 ZINC000058173140 195371294 /nfs/dbraw/zinc/37/12/94/195371294.db2.gz XTOBYEYMSXNORT-YADARESESA-N 0 0 462.512 4.452 50 0 JIAARN CCOC(=O)C(=Cc1ccc(F)c(F)c1)C1=CSc2nnc(-c3ccc(OC)cc3)n2N1 ZINC000058183263 195372564 /nfs/dbraw/zinc/37/25/64/195372564.db2.gz AWSBIMAJXDNISP-MHWRWJLKSA-N 0 0 456.474 4.188 50 0 JIAARN O=C(Nc1cccc(NC(=O)N2CCCCCC2)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000058251234 195375327 /nfs/dbraw/zinc/37/53/27/195375327.db2.gz OJMLTSIZFSSOGL-UHFFFAOYSA-N 0 0 451.495 4.343 50 0 JIAARN COc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c(OC)c1OC ZINC000058305116 195376462 /nfs/dbraw/zinc/37/64/62/195376462.db2.gz VZJSTEIZUCSZPZ-OAHLLOKOSA-N 0 0 457.914 4.436 50 0 JIAARN Cc1cc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)nc3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000021589988 195317628 /nfs/dbraw/zinc/31/76/28/195317628.db2.gz IZPJKUMXKMAXMX-UHFFFAOYSA-N 0 0 460.538 4.373 50 0 JIAARN C[C@H](SC1=Nc2ccccc2C2=N[C@@H](Cc3ccccc3)C(=O)N21)C(=O)NCc1ccc(F)cc1 ZINC000021644472 195319343 /nfs/dbraw/zinc/31/93/43/195319343.db2.gz MYELANWUHLCZMZ-SBUREZEXSA-N 0 0 486.572 4.465 50 0 JIAARN C[C@H](SC1=Nc2ccccc2C2=N[C@H](c3ccccc3)C(=O)N21)C(=O)NCCc1ccccc1 ZINC000021644661 195319610 /nfs/dbraw/zinc/31/96/10/195319610.db2.gz XXGFKJWYNKKQLW-FDDCHVKYSA-N 0 0 468.582 4.498 50 0 JIAARN CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C1 ZINC000021706985 195319912 /nfs/dbraw/zinc/31/99/12/195319912.db2.gz VUVVAZBRORRAOT-NRFANRHFSA-N 0 0 499.677 4.409 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1 ZINC000059352726 195397739 /nfs/dbraw/zinc/39/77/39/195397739.db2.gz TUFOKKHHNWVLSH-UHFFFAOYSA-N 0 0 457.465 4.097 50 0 JIAARN CC(C)COC(=O)N1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)CC1 ZINC000060345102 195415921 /nfs/dbraw/zinc/41/59/21/195415921.db2.gz RVPCYYJGHVFJEC-UHFFFAOYSA-N 0 0 472.895 4.485 50 0 JIAARN CCc1c(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)cnn1-c1ccc(C)cc1 ZINC000062581388 195423778 /nfs/dbraw/zinc/42/37/78/195423778.db2.gz KWUSVHFBWZEVGL-UHFFFAOYSA-N 0 0 462.985 4.002 50 0 JIAARN O=S(=O)(c1csc(-c2ccc(Br)cc2)n1)N(Cc1cccnc1)C1CC1 ZINC000062582465 195423999 /nfs/dbraw/zinc/42/39/99/195423999.db2.gz VNLBXPMAJZOCTI-UHFFFAOYSA-N 0 0 450.383 4.321 50 0 JIAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)NCCNC(=O)c1ccc(C)c(F)c1 ZINC000062588348 195424930 /nfs/dbraw/zinc/42/49/30/195424930.db2.gz MZPAQVIVIKREPT-UHFFFAOYSA-N 0 0 485.991 4.221 50 0 JIAARN COCc1nnc(SCc2ccccc2C(=O)NCc2ccco2)n1-c1ccc(F)cc1 ZINC000095546790 129909050 /nfs/dbraw/zinc/90/90/50/129909050.db2.gz ZHOLXWMBHNOXMP-UHFFFAOYSA-N 0 0 452.511 4.368 50 0 JIAARN Cc1ccc(CNC(=O)c2ccc(-n3ccnc3SCC(=O)Nc3ccc4c(c3)OCO4)cc2)o1 ZINC000095626387 129917615 /nfs/dbraw/zinc/91/76/15/129917615.db2.gz BCOMPNOPQVLBHB-UHFFFAOYSA-N 0 0 490.541 4.163 50 0 JIAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1nnc(C(C)(C)C)s1)C(=O)OC2 ZINC000095928384 129938707 /nfs/dbraw/zinc/93/87/07/129938707.db2.gz GWUWCZXJUMFZRV-KPKJPENVSA-N 0 0 459.568 4.436 50 0 biogenic JIAARN COc1cc(OC)cc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3cccc(OC)c3OC)C2)c1 ZINC000096012491 129951929 /nfs/dbraw/zinc/95/19/29/129951929.db2.gz XCANYZFWRJLDRG-QHCPKHFHSA-N 0 0 482.558 4.261 50 0 JIAARN COC(=O)COc1cccc([C@@H]2CC(=O)Oc3cc(OC)c4c(=O)cc(-c5ccccc5)oc4c32)c1 ZINC000096114755 129964926 /nfs/dbraw/zinc/96/49/26/129964926.db2.gz SYJICBIPZJHSET-IBGZPJMESA-N 0 0 486.476 4.461 50 0 biogenic JIAARN COc1ccc(-c2cc(C(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)[nH]n2)cc1OC ZINC000096231252 130000197 /nfs/dbraw/zinc/00/01/97/130000197.db2.gz BFBWYIUIERBFAB-KRWDZBQOSA-N 0 0 451.552 4.194 50 0 JIAARN COc1ccc2[nH]cc([C@@H](CC(=O)NCCN3CCOCC3)c3cccc(C(F)(F)F)c3)c2c1 ZINC000096275575 130012079 /nfs/dbraw/zinc/01/20/79/130012079.db2.gz HLWLJMJOXDFSCE-FQEVSTJZSA-N 0 0 475.511 4.166 50 0 JIAARN CC(C)(C)CC(=O)Nc1ccc2c(cc(C(=O)NCCN3CCOCC3)n2Cc2ccc(F)cc2)c1 ZINC000096276500 130014350 /nfs/dbraw/zinc/01/43/50/130014350.db2.gz POWIRPBBAQJZOC-UHFFFAOYSA-N 0 0 494.611 4.265 50 0 JIAARN COCC(=O)N(Cc1ccco1)Cc1ccc(OS(=O)(=O)c2c(C)cccc2Cl)cc1 ZINC000096286916 130029694 /nfs/dbraw/zinc/02/96/94/130029694.db2.gz VMHDTICLNYRNBL-UHFFFAOYSA-N 0 0 463.939 4.184 50 0 JIAARN Cc1nn(C)c(C)c1CN(C(=S)Nc1cccc(C)c1)[C@H]1CC(=O)N(c2cccc(C)c2)C1=O ZINC000096288460 130032207 /nfs/dbraw/zinc/03/22/07/130032207.db2.gz RZLWEZYMBOXHFB-QHCPKHFHSA-N 0 0 475.618 4.185 50 0 JIAARN Cc1nn(C)c(C)c1CN(C(=S)Nc1cc(C)ccc1C)[C@@H]1CC(=O)N(c2cccc(C)c2)C1=O ZINC000096288451 130032228 /nfs/dbraw/zinc/03/22/28/130032228.db2.gz HFPBIXUYKKLEKZ-XMMPIXPASA-N 0 0 489.645 4.493 50 0 JIAARN COCC(=O)N(Cc1ccccc1OS(=O)(=O)c1cccc(C(F)(F)F)c1)CC(C)C ZINC000096289475 130036268 /nfs/dbraw/zinc/03/62/68/130036268.db2.gz VBNPWJSRQIHQSZ-UHFFFAOYSA-N 0 0 459.486 4.104 50 0 JIAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(CC(C)C)C(=O)NC(C)C)cc1F ZINC000096290292 130039596 /nfs/dbraw/zinc/03/95/96/130039596.db2.gz CBKNRHIAXNLBBM-UHFFFAOYSA-N 0 0 452.548 4.178 50 0 JIAARN COCCN(Cc1cccc(OS(=O)(=O)c2c(C)cccc2Cl)c1)C(=O)NC(C)(C)C ZINC000096290508 130039968 /nfs/dbraw/zinc/03/99/68/130039968.db2.gz ZFPKVYOMNOTFEJ-UHFFFAOYSA-N 0 0 469.003 4.373 50 0 JIAARN COc1ccc(S(=O)(=O)Oc2cc(CN(CC3CC3)C(=O)NC(C)(C)C)ccc2OC)cc1 ZINC000096294688 130050855 /nfs/dbraw/zinc/05/08/55/130050855.db2.gz SPZDATUVIKCFBT-UHFFFAOYSA-N 0 0 476.595 4.192 50 0 JIAARN c1ccc2sc(N3CN(CCCN4CCOCC4)CN(c4nc5ccccc5s4)C3)nc2c1 ZINC000096300012 130053682 /nfs/dbraw/zinc/05/36/82/130053682.db2.gz WBNRVUQZCXTILM-UHFFFAOYSA-N 0 0 480.663 4.129 50 0 JIAARN CCCS(=O)(=O)N1CCN(c2nc(CC(C)C)nc(C)c2Cc2c(F)cccc2Cl)CC1 ZINC000096317392 130061287 /nfs/dbraw/zinc/06/12/87/130061287.db2.gz HFSRXSYQIKFABF-UHFFFAOYSA-N 0 0 483.053 4.229 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000096318764 130063724 /nfs/dbraw/zinc/06/37/24/130063724.db2.gz BACGAVFAZHTTQG-AREMUKBSSA-N 0 0 477.992 4.472 50 0 JIAARN CCCCOc1ccc(-c2cc3c4nnc(CCC(=O)NCc5ccccc5)n4ccn3n2)cc1 ZINC000096322376 130065493 /nfs/dbraw/zinc/06/54/93/130065493.db2.gz PPXBULLFCYNKJY-UHFFFAOYSA-N 0 0 468.561 4.472 50 0 JIAARN COc1ccc([C@H](C)NC(=O)CCc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)cc1OC ZINC000096322434 130066021 /nfs/dbraw/zinc/06/60/21/130066021.db2.gz ZLTVINOYGJODHF-INIZCTEOSA-N 0 0 488.523 4.010 50 0 JIAARN CC(=O)c1cccc(NC(=O)CSc2nccn2-c2ccc(C(=O)NCc3ccco3)cc2)c1 ZINC000096324534 130070177 /nfs/dbraw/zinc/07/01/77/130070177.db2.gz ZBZIQUDHOIDJAP-UHFFFAOYSA-N 0 0 474.542 4.329 50 0 JIAARN CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccc(OC(F)F)cc3)C2=O)cc1OC ZINC000096398811 130075488 /nfs/dbraw/zinc/07/54/88/130075488.db2.gz QACNFURPSGTMHX-CPNJWEJPSA-N 0 0 492.500 4.162 50 0 JIAARN Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000102891219 130372747 /nfs/dbraw/zinc/37/27/47/130372747.db2.gz AEFPDQHBOGSGGK-ZHSNQQFMSA-N 0 0 489.881 4.098 50 0 JIAARN COc1ccc(-n2c(SCc3ccccc3C(=O)N3CCN(C)CC3)nnc2-c2ccco2)cc1 ZINC000095925499 518142436 /nfs/dbraw/zinc/14/24/36/518142436.db2.gz QKGDTJSFYCOSDA-UHFFFAOYSA-N 0 0 489.601 4.216 50 0 JIAARN COc1ccc(CN2C(=O)N(c3cccc(C)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000020324322 518150248 /nfs/dbraw/zinc/15/02/48/518150248.db2.gz TVYLMKXDRPCNPX-DEOSSOPVSA-N 0 0 473.529 4.378 50 0 JIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(N3CCCCC3)n2Cc2ccco2)c1C ZINC000012216161 518233607 /nfs/dbraw/zinc/23/36/07/518233607.db2.gz DKEZRAWFSBWSOI-KRWDZBQOSA-N 0 0 455.584 4.421 50 0 JIAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3-c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000033175583 518351470 /nfs/dbraw/zinc/35/14/70/518351470.db2.gz AALNJGRSBLCPHV-UHFFFAOYSA-N 0 0 488.569 4.117 50 0 JIAARN CC(=O)c1ccc(N2CCN(c3c4c(nc5nc(Cc6ccc(C)cc6)nn53)CCC4)CC2)cc1 ZINC000046023042 518351619 /nfs/dbraw/zinc/35/16/19/518351619.db2.gz POKZAEQGOCKVOH-UHFFFAOYSA-N 0 0 466.589 4.041 50 0 JIAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C(F)(F)F)on4)cs3)CC2)cc1 ZINC000033173702 518352208 /nfs/dbraw/zinc/35/22/08/518352208.db2.gz DREMWTBOTRQYLF-UHFFFAOYSA-N 0 0 485.509 4.135 50 0 JIAARN CC(=O)c1ccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2ccc(C)cc2)cc3=O)cc1 ZINC000065305092 518365632 /nfs/dbraw/zinc/36/56/32/518365632.db2.gz UMCBODVLJMISKL-UHFFFAOYSA-N 0 0 450.498 4.466 50 0 JIAARN CC(=O)c1ccc(OCC(=O)N2CCOc3ccc([C@@H](O)CCc4ccccc4)cc3C2)cc1 ZINC000012217996 518392025 /nfs/dbraw/zinc/39/20/25/518392025.db2.gz VCYYDTYORFLUAM-SANMLTNESA-N 0 0 459.542 4.355 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)NCc2nc3ccccc3c(NCCCc3ccccc3)n2)cc1 ZINC000014994268 518407310 /nfs/dbraw/zinc/40/73/10/518407310.db2.gz VJUNQIOTOOGOAQ-UHFFFAOYSA-N 0 0 474.586 4.356 50 0 JIAARN CC(=O)c1cccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3Cc2ccccc2)c1 ZINC000045970109 518430891 /nfs/dbraw/zinc/43/08/91/518430891.db2.gz OTDFNKDGCOBTBL-UHFFFAOYSA-N 0 0 489.582 4.087 50 0 JIAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000012381406 518944234 /nfs/dbraw/zinc/94/42/34/518944234.db2.gz HFRRMVWDLYQBNE-GOSISDBHSA-N 0 0 467.635 4.489 50 0 JIAARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000002658140 519051269 /nfs/dbraw/zinc/05/12/69/519051269.db2.gz RDPSORBQIKWSJK-DEOSSOPVSA-N 0 0 476.404 4.417 50 0 JIAARN CC(C)C[C@@H]1NC(=O)N(CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)C1=O ZINC000025423296 519279694 /nfs/dbraw/zinc/27/96/94/519279694.db2.gz KPKHVCBMLMGEIV-LOSJGSFVSA-N 0 0 468.557 4.484 50 0 JIAARN CC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3Br)CC2)cc1 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Cc1ccc(C)c(Cn2c(=O)c3c(C(=O)N4CCCCC4)cc(C)nc3n(-c3ccccc3)c2=O)c1 ZINC000020357143 524112492 /nfs/dbraw/zinc/11/24/92/524112492.db2.gz YBMXAVUWCQJYHC-UHFFFAOYSA-N 0 0 482.584 4.147 50 0 JIAARN Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)c1 ZINC000033024455 524131176 /nfs/dbraw/zinc/13/11/76/524131176.db2.gz JJOTWDUQHHCMCK-UHFFFAOYSA-N 0 0 481.553 4.037 50 0 JIAARN Cc1cccc(-c2nsc3c2ncn(CC(=O)Nc2ccc(Br)cc2)c3=O)c1 ZINC000033300165 524135759 /nfs/dbraw/zinc/13/57/59/524135759.db2.gz JCDXMTQJXLUTKC-UHFFFAOYSA-N 0 0 455.337 4.230 50 0 JIAARN Cc1ccc(C)c(NC(=O)CSc2ccc(N3CCC(C(=O)N4CCCCC4)CC3)nn2)c1 ZINC000035455924 524137126 /nfs/dbraw/zinc/13/71/26/524137126.db2.gz QZTNYGJQJGEFTP-UHFFFAOYSA-N 0 0 467.639 4.053 50 0 JIAARN COc1cccc([C@H](C)NC(=O)c2cccc(CN3c4ccccc4C(=O)N4CCC[C@@H]4C3=O)c2)c1 ZINC000035458727 524151309 /nfs/dbraw/zinc/15/13/09/524151309.db2.gz XVUYTBBCGHHRQV-AFMDSPMNSA-N 0 0 483.568 4.338 50 0 JIAARN COc1cccc([C@H](C)NC(=O)c2cccc(CN3c4ccccc4C(=O)N4CCC[C@H]4C3=O)c2)c1 ZINC000035458736 524152386 /nfs/dbraw/zinc/15/23/86/524152386.db2.gz XVUYTBBCGHHRQV-SIBVEZHUSA-N 0 0 483.568 4.338 50 0 JIAARN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)c1 ZINC000033259237 524155945 /nfs/dbraw/zinc/15/59/45/524155945.db2.gz SNJPTNJXRIEXFS-QFIPXVFZSA-N 0 0 467.573 4.312 50 0 JIAARN COc1ccc(Cc2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCC3)no2)cc1Cl ZINC000035460150 524164276 /nfs/dbraw/zinc/16/42/76/524164276.db2.gz DJOWOIADMASKBW-UHFFFAOYSA-N 0 0 465.941 4.352 50 0 JIAARN Cc1cccc(C(=O)N2CCC([C@@H](NC(=O)c3ccccc3C)C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000036210829 524169620 /nfs/dbraw/zinc/16/96/20/524169620.db2.gz GEBAPMIBKBKNDZ-SQJMNOBHSA-N 0 0 463.622 4.115 50 0 JIAARN COc1ccc(Cl)cc1CN(C)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000023955652 524206018 /nfs/dbraw/zinc/20/60/18/524206018.db2.gz KYSXHFOLUSJJPS-SANMLTNESA-N 0 0 463.965 4.428 50 0 JIAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)CC1=O ZINC000090590623 524218102 /nfs/dbraw/zinc/21/81/02/524218102.db2.gz CASQLPGHZIVMRM-KRWDZBQOSA-N 0 0 495.967 4.122 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C ZINC000012466400 524229687 /nfs/dbraw/zinc/22/96/87/524229687.db2.gz UIVLQCNKJNMQDJ-UHFFFAOYSA-N 0 0 453.351 4.440 50 0 JIAARN COc1cccc2c3sc(C(=O)NCCN4CCOCC4)c(-c4ccc(C)cc4)c3cnc12 ZINC000045943966 524255720 /nfs/dbraw/zinc/25/57/20/524255720.db2.gz FNLPGGACFLTMCV-UHFFFAOYSA-N 0 0 461.587 4.496 50 0 JIAARN COc1ccccc1-c1nc(Cn2nnc(-c3nc(-c4cccc(OC)c4OC)no3)c2C)c(C)o1 ZINC000033296970 524280332 /nfs/dbraw/zinc/28/03/32/524280332.db2.gz PGCHIDZENXARSH-UHFFFAOYSA-N 0 0 488.504 4.341 50 0 JIAARN COc1ccccc1-n1c(=O)n(Cc2nc(-c3ccc(C)cc3)oc2C)c(=O)c2c(C)cc(C)nc21 ZINC000012462038 524300050 /nfs/dbraw/zinc/30/00/50/524300050.db2.gz KNMXFYBEVHIART-UHFFFAOYSA-N 0 0 482.540 4.493 50 0 JIAARN COc1ccccc1-n1c(SCC(=O)Nc2cc(C(C)C)no2)nnc1N1CCCCC1 ZINC000012516326 524300418 /nfs/dbraw/zinc/30/04/18/524300418.db2.gz HKZBVSBZRHFKCM-UHFFFAOYSA-N 0 0 456.572 4.108 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCC[C@H](C[NH+]4CCCC4)C3)c(C(=O)[O-])c2)cc1C ZINC000033253766 524324071 /nfs/dbraw/zinc/32/40/71/524324071.db2.gz VLBLDPWCEYJBHK-OAQYLSRUSA-N 0 0 485.650 4.423 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)n2c3ccccc3n(S(=O)(=O)c3c(C)cc(C)cc3C)c2=O)c(C)c1 ZINC000009030594 524326357 /nfs/dbraw/zinc/32/63/57/524326357.db2.gz ZAYJOGFNILVJHX-UHFFFAOYSA-N 0 0 498.626 4.128 50 0 JIAARN COc1ccccc1C(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000034921315 524338958 /nfs/dbraw/zinc/33/89/58/524338958.db2.gz KIGWSHNMYLFPGV-UHFFFAOYSA-N 0 0 455.507 4.407 50 0 JIAARN Cc1cc(C)cc(-n2ccn3c(SCC(=O)c4ccc(Br)cc4)nnc3c2=O)c1 ZINC000046047200 524358246 /nfs/dbraw/zinc/35/82/46/524358246.db2.gz QVXVFICOEMYDCL-UHFFFAOYSA-N 0 0 469.364 4.235 50 0 JIAARN Cc1cccc(CN(Cc2nc(C(=O)NCc3cccnc3)co2)Cc2ccc3c(c2)OCO3)c1 ZINC000036068324 524385024 /nfs/dbraw/zinc/38/50/24/524385024.db2.gz XTFGOZGJVBCSLI-UHFFFAOYSA-N 0 0 470.529 4.239 50 0 JIAARN COc1ccc(N2C(=O)CC[C@H](C(=O)OCc3cc(C)no3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000024421058 524388024 /nfs/dbraw/zinc/38/80/24/524388024.db2.gz DNVOLZXUSFBCQG-OFVILXPXSA-N 0 0 480.517 4.237 50 0 JIAARN COc1ccc(N2C(=O)c3c(NC(C)=O)c4cc(F)ccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021866229 524398143 /nfs/dbraw/zinc/39/81/43/524398143.db2.gz FNDOXJZWGNTPRZ-MHZLTWQESA-N 0 0 492.551 4.225 50 0 JIAARN COc1ccc(N2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000021854106 524398357 /nfs/dbraw/zinc/39/83/57/524398357.db2.gz JYXQXDKLMZIBFL-LJAQVGFWSA-N 0 0 496.567 4.303 50 0 JIAARN Cc1cccc(CN2CCN(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)C2=O)c1 ZINC000064950910 524400090 /nfs/dbraw/zinc/40/00/90/524400090.db2.gz FUHIEJKZEGMLKR-UHFFFAOYSA-N 0 0 455.624 4.209 50 0 JIAARN COc1ccc(N2C(=O)c3ccccc3[C@@H](C(=O)NCc3ccncc3)[C@@H]2c2cccnc2)cc1 ZINC000033707636 524400595 /nfs/dbraw/zinc/40/05/95/524400595.db2.gz SMMCKEZVQPCWBN-FTJBHMTQSA-N 0 0 464.525 4.287 50 0 JIAARN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2C(F)(F)F)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1 ZINC000020436973 524407162 /nfs/dbraw/zinc/40/71/62/524407162.db2.gz GXKGXWHDXAUBAE-RBUKOAKNSA-N 0 0 497.564 4.036 50 0 JIAARN COc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000037524294 524420224 /nfs/dbraw/zinc/42/02/24/524420224.db2.gz MLAJHKKGUXLNQH-UHFFFAOYSA-N 0 0 471.601 4.375 50 0 JIAARN Cc1cccc(CNC(=O)c2ccc(CN3c4ccccc4C(=O)N4CCC[C@H]4C3=O)cc2)c1 ZINC000035458448 524428003 /nfs/dbraw/zinc/42/80/03/524428003.db2.gz WASKKULORXZSLC-VWLOTQADSA-N 0 0 453.542 4.076 50 0 JIAARN COc1ccccc1CN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2OC)C1=O ZINC000002114037 524447415 /nfs/dbraw/zinc/44/74/15/524447415.db2.gz DDDCKYOFPFSPLA-FIPFOOKPSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Nc3nc4ccc(F)cc4s3)n2)c1 ZINC000008613904 524455638 /nfs/dbraw/zinc/45/56/38/524455638.db2.gz GUFFBAMGKNOBLD-UHFFFAOYSA-N 0 0 476.942 4.413 50 0 JIAARN Cc1cc(C)cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000033254038 524456734 /nfs/dbraw/zinc/45/67/34/524456734.db2.gz SBNCTNLAQJOHBD-UHFFFAOYSA-N 0 0 471.623 4.257 50 0 JIAARN COc1ccccc1CNC(=O)C1CCN(c2ncnc3onc(-c4ccc(C)cc4)c32)CC1 ZINC000033084798 524461831 /nfs/dbraw/zinc/46/18/31/524461831.db2.gz GBEPNYATPOIOKF-UHFFFAOYSA-N 0 0 457.534 4.135 50 0 JIAARN COc1ccccc1CNC(=O)C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1 ZINC000033266512 524462209 /nfs/dbraw/zinc/46/22/09/524462209.db2.gz SVGKYINVPICAGJ-UHFFFAOYSA-N 0 0 459.525 4.077 50 0 JIAARN COc1ccccc1CNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccccc1F ZINC000004798987 524480141 /nfs/dbraw/zinc/48/01/41/524480141.db2.gz UIXDIALRCOTEDF-DQEYMECFSA-N 0 0 478.520 4.078 50 0 JIAARN COc1ccccc1CNC(=O)c1sc2ncnc(N3CCN(c4ccccc4)CC3)c2c1C ZINC000002931385 524484755 /nfs/dbraw/zinc/48/47/55/524484755.db2.gz XEFMRYUEZURLGB-UHFFFAOYSA-N 0 0 473.602 4.265 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2-c2ccccc2)cc1 ZINC000008792294 524515059 /nfs/dbraw/zinc/51/50/59/524515059.db2.gz GLAZIAMQECMCTO-UHFFFAOYSA-N 0 0 491.548 4.076 50 0 JIAARN Cc1ccc(CNC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1 ZINC000033113047 524519007 /nfs/dbraw/zinc/51/90/07/524519007.db2.gz MVGFEBZTCPKEKH-QGZVFWFLSA-N 0 0 453.543 4.327 50 0 JIAARN COc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)cc1 ZINC000033273140 524542605 /nfs/dbraw/zinc/54/26/05/524542605.db2.gz NCBOEXQKYPPUHV-UHFFFAOYSA-N 0 0 455.515 4.350 50 0 JIAARN COc1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(C)cc3)s2)c(OC)c1 ZINC000064930632 524549025 /nfs/dbraw/zinc/54/90/25/524549025.db2.gz NSRMYSDPVKJERP-SFHVURJKSA-N 0 0 467.551 4.485 50 0 JIAARN Cc1ccc(CNC(=O)c2ccc(OCc3nnc(C(=O)Nc4ccc(F)c(F)c4)s3)cc2)o1 ZINC000033114360 524559534 /nfs/dbraw/zinc/55/95/34/524559534.db2.gz MSDWEAVABOJRBU-UHFFFAOYSA-N 0 0 484.484 4.479 50 0 JIAARN COc1ccccc1N1CCN(c2nccnc2SCC(=O)Nc2c(C)cccc2C)CC1 ZINC000033170183 524566188 /nfs/dbraw/zinc/56/61/88/524566188.db2.gz JUUMXYHXRLGXTJ-UHFFFAOYSA-N 0 0 463.607 4.159 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccs2)cc1OC ZINC000004759891 524603325 /nfs/dbraw/zinc/60/33/25/524603325.db2.gz RKXGGEZTDMJZIT-PKTZIBPZSA-N 0 0 482.558 4.332 50 0 JIAARN COc1ccccc1NC(=O)Cn1nc2c(Sc3cccc(C)c3)nc3ccccc3n2c1=O ZINC000033262599 524606049 /nfs/dbraw/zinc/60/60/49/524606049.db2.gz AWKXRGCKTCBWPN-UHFFFAOYSA-N 0 0 471.542 4.151 50 0 JIAARN COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(CN2CCCC2)n1Cc1ccccc1 ZINC000022568230 524618785 /nfs/dbraw/zinc/61/87/85/524618785.db2.gz HXRLHQBRLOHCHO-GOSISDBHSA-N 0 0 451.596 4.050 50 0 JIAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)c1 ZINC000064930769 524621847 /nfs/dbraw/zinc/62/18/47/524621847.db2.gz BKCPDVWRYGCNAA-INIZCTEOSA-N 0 0 451.508 4.197 50 0 JIAARN COc1ccccc1NC(=O)[C@@H]1CCCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)C1 ZINC000033259730 524622553 /nfs/dbraw/zinc/62/25/53/524622553.db2.gz IZCWQXKPTCMKPK-OAQYLSRUSA-N 0 0 483.572 4.012 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C(N)=O)cc1 ZINC000008704914 524629054 /nfs/dbraw/zinc/62/90/54/524629054.db2.gz QAOAYIHUYQOPFR-UHFFFAOYSA-N 0 0 478.574 4.097 50 0 JIAARN COc1ccc(NC(=O)c2ccc3nnc(SCC(=O)Nc4c(C)cccc4C)n3c2)cc1 ZINC000033268206 524639163 /nfs/dbraw/zinc/63/91/63/524639163.db2.gz YMJNRWKFAPPFFD-UHFFFAOYSA-N 0 0 461.547 4.338 50 0 JIAARN COc1ccc(NC(=O)c2nc3c(=O)n(Cc4cccc(F)c4)c4cc(C)ccc4n3n2)cc1Cl ZINC000033274445 524655096 /nfs/dbraw/zinc/65/50/96/524655096.db2.gz BMRLMVOCJHJHOG-UHFFFAOYSA-N 0 0 491.910 4.454 50 0 JIAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)c4cccc(Cl)c4)CC3)s2)cc1 ZINC000033272829 524658704 /nfs/dbraw/zinc/65/87/04/524658704.db2.gz LXRSKHGPLZINJP-UHFFFAOYSA-N 0 0 456.955 4.472 50 0 JIAARN COc1ccc(NC(=O)c2nnc(C3CCN(S(=O)(=O)c4ccccc4Cl)CC3)s2)cc1 ZINC000033273190 524659256 /nfs/dbraw/zinc/65/92/56/524659256.db2.gz BCYCDIBEPOXGJJ-UHFFFAOYSA-N 0 0 493.010 4.021 50 0 JIAARN COc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4ccc(OC)cc4OC)C3)s2)cc1 ZINC000033272798 524660008 /nfs/dbraw/zinc/66/00/08/524660008.db2.gz SAGPETGBIGNPEQ-OAHLLOKOSA-N 0 0 497.577 4.228 50 0 JIAARN COc1ccc(NC(=S)NCCN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)cc1 ZINC000033374781 524666372 /nfs/dbraw/zinc/66/63/72/524666372.db2.gz CUJCFYVSXKSLBM-SFQUDFHCSA-N 0 0 492.420 4.481 50 0 JIAARN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCC(C)CC2)c1C ZINC000035398979 524692442 /nfs/dbraw/zinc/69/24/42/524692442.db2.gz SSADEIJCKHTQOG-UHFFFAOYSA-N 0 0 483.634 4.032 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)c3cc(C)sc3C)c2)cc1 ZINC000014902103 524698396 /nfs/dbraw/zinc/69/83/96/524698396.db2.gz XSQPUHDCNQLXMN-UHFFFAOYSA-N 0 0 459.545 4.214 50 0 JIAARN Cc1ccc(Cl)cc1-n1c(=O)c2sc3ccccc3c2n(CC(=O)NC2CCCC2)c1=O ZINC000008654530 524718818 /nfs/dbraw/zinc/71/88/18/524718818.db2.gz MCMSNJFLNPCZMY-UHFFFAOYSA-N 0 0 467.978 4.388 50 0 JIAARN Cc1cccc(OCC(=O)Nc2ccccc2SCc2cc(=O)n3c(ncn3CC(C)C)n2)c1C ZINC000021797517 524720799 /nfs/dbraw/zinc/72/07/99/524720799.db2.gz CSABDXCAHKVMKG-UHFFFAOYSA-N 0 0 491.617 4.474 50 0 JIAARN Cc1ccc(Cl)cc1Nc1nc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccn3)C2)cs1 ZINC000037439779 524760531 /nfs/dbraw/zinc/76/05/31/524760531.db2.gz UIBMIFKIBKAFHA-MRXNPFEDSA-N 0 0 469.998 4.412 50 0 JIAARN Cc1ccc(Cn2c(=O)c(N3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)nc3cccnc32)cc1 ZINC000033259710 524763892 /nfs/dbraw/zinc/76/38/92/524763892.db2.gz GQALWHPEVAWJDH-XMMPIXPASA-N 0 0 485.632 4.371 50 0 JIAARN Cc1ccc(Cn2c(=O)c(N3CCC[C@@H](C(=O)Nc4ccccc4C)C3)nc3cccnc32)cc1 ZINC000033259678 524764089 /nfs/dbraw/zinc/76/40/89/524764089.db2.gz KCLDNZHDMDKBKS-JOCHJYFZSA-N 0 0 467.573 4.312 50 0 JIAARN Cc1ccc(Cn2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCc3ccccc3)C2)cc1 ZINC000033302675 524765679 /nfs/dbraw/zinc/76/56/79/524765679.db2.gz HVORNIKWVIVXAT-QFIPXVFZSA-N 0 0 472.614 4.348 50 0 JIAARN Cc1ccc(Cn2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCc3ccccc3F)C2)cc1 ZINC000033302693 524765771 /nfs/dbraw/zinc/76/57/71/524765771.db2.gz RMTWYNYRBWNJKY-NRFANRHFSA-N 0 0 490.604 4.487 50 0 JIAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC(C(=O)NCc4ccccc4F)CC3)c2=O)cc1 ZINC000022585518 524769411 /nfs/dbraw/zinc/76/94/11/524769411.db2.gz LHRWAXGXXHMULK-UHFFFAOYSA-N 0 0 484.575 4.425 50 0 JIAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC(C(=O)NC4CCCCC4)CC3)c2=O)cc1 ZINC000022585409 524769571 /nfs/dbraw/zinc/76/95/71/524769571.db2.gz WLTAHNGWWIYYTO-UHFFFAOYSA-N 0 0 458.606 4.419 50 0 JIAARN C[C@H]1C[C@@H](C(F)F)n2nc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)nc2N1 ZINC000002769287 524776915 /nfs/dbraw/zinc/77/69/15/524776915.db2.gz JYZZLMCAYDTVLQ-XPTSAGLGSA-N 0 0 456.284 4.092 50 0 JIAARN COc1ccc(OC)c(CN(Cc2nc(C(=O)NCC(C)C)co2)Cc2ccc3c(c2)OCO3)c1 ZINC000036065824 524824759 /nfs/dbraw/zinc/82/47/59/524824759.db2.gz HEKCBRNUJRDMIK-UHFFFAOYSA-N 0 0 481.549 4.009 50 0 JIAARN Cc1cc(Cc2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)c(=O)[nH]n1 ZINC000033026674 524839823 /nfs/dbraw/zinc/83/98/23/524839823.db2.gz FYWATYPYMZCBMW-UHFFFAOYSA-N 0 0 459.571 4.060 50 0 JIAARN Cc1ccc(F)cc1NC(=O)CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc(F)cc1)CC2 ZINC000012415255 524859732 /nfs/dbraw/zinc/85/97/32/524859732.db2.gz ICXWBYRPVYDKJO-UHFFFAOYSA-N 0 0 456.518 4.058 50 0 JIAARN Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(F)c(F)c2)s1 ZINC000064941391 524870155 /nfs/dbraw/zinc/87/01/55/524870155.db2.gz BMVKWVQXALQJQU-INIZCTEOSA-N 0 0 482.509 4.042 50 0 JIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)c1 ZINC000008725441 524896722 /nfs/dbraw/zinc/89/67/22/524896722.db2.gz CNMVYRIIWLWXQF-NRFANRHFSA-N 0 0 480.590 4.145 50 0 JIAARN Cc1ccc(N(Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)S(C)(=O)=O)cc1C ZINC000002648444 524898901 /nfs/dbraw/zinc/89/89/01/524898901.db2.gz JGALHXRSJOHERD-UHFFFAOYSA-N 0 0 477.630 4.232 50 0 JIAARN COc1ccc(OC)c([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2)c1 ZINC000004201279 524913763 /nfs/dbraw/zinc/91/37/63/524913763.db2.gz HVLFOCYHLOBBQX-JOCHJYFZSA-N 0 0 482.558 4.261 50 0 JIAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccccc3F)C[C@@H]2C(=O)NCc2ccccc2)c1 ZINC000036045317 524917501 /nfs/dbraw/zinc/91/75/01/524917501.db2.gz YVCNQPYVAVYTHN-PKTZIBPZSA-N 0 0 462.521 4.015 50 0 JIAARN COc1ccc(OC)c2c1cc1n2C[C@](C)(C(=O)N[C@H]2CCCC[C@@H]2C)N(Cc2cccnc2)C1=O ZINC000021856595 524923562 /nfs/dbraw/zinc/92/35/62/524923562.db2.gz SYKHDVFQWAZWDC-GZDZOCAYSA-N 0 0 490.604 4.163 50 0 JIAARN COc1ccc(OC)c2nc(N(C)C)c(CN(CCCN3CCCC3=O)C(=O)c3cccs3)cc12 ZINC000020149488 524923785 /nfs/dbraw/zinc/92/37/85/524923785.db2.gz RLJPXMFKOASPHV-UHFFFAOYSA-N 0 0 496.633 4.034 50 0 JIAARN COc1ccc(OCC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000064930229 524930332 /nfs/dbraw/zinc/93/03/32/524930332.db2.gz OATUDMORXOQKLR-SFHVURJKSA-N 0 0 472.954 4.195 50 0 JIAARN Cc1cccc2cc(-c3noc(C(C)C)n3)c(NCCc3ccc(S(N)(=O)=O)cc3)nc12 ZINC000033331611 524968649 /nfs/dbraw/zinc/96/86/49/524968649.db2.gz AJFJMHBRTNUURD-UHFFFAOYSA-N 0 0 451.552 4.019 50 0 JIAARN COc1ccc(Oc2cc3c(cc2NC(=O)c2ccccc2C(F)(F)F)n(C)c(=O)c(=O)n3C)cc1 ZINC000033043157 524991535 /nfs/dbraw/zinc/99/15/35/524991535.db2.gz CGSUZTVXTYRYQG-UHFFFAOYSA-N 0 0 499.445 4.309 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)c2ccc(Cl)cc2)cc1OC ZINC000016227522 525009849 /nfs/dbraw/zinc/00/98/49/525009849.db2.gz SEVQYFVWBUSQAQ-UHFFFAOYSA-N 0 0 466.987 4.001 50 0 JIAARN COc1ccc(S(=O)(=O)N(Cc2csc(COc3ccccc3OC)n2)C(C)C)cc1 ZINC000036115309 525016156 /nfs/dbraw/zinc/01/61/56/525016156.db2.gz BEJVPQAUJRCZKA-UHFFFAOYSA-N 0 0 462.593 4.339 50 0 JIAARN Cc1ccccc1-c1noc(-c2cccn(CC(=O)Nc3ccccc3Br)c2=O)n1 ZINC000049002536 525019576 /nfs/dbraw/zinc/01/95/76/525019576.db2.gz FHCUCMGDKBWRLI-UHFFFAOYSA-N 0 0 465.307 4.275 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1Cl ZINC000035399321 525022839 /nfs/dbraw/zinc/02/28/39/525022839.db2.gz JOFIZVMQQZQPKK-UHFFFAOYSA-N 0 0 461.946 4.384 50 0 biogenic JIAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)cc1C ZINC000033024462 525027076 /nfs/dbraw/zinc/02/70/76/525027076.db2.gz HHCBRFOGDONZOC-UHFFFAOYSA-N 0 0 481.553 4.037 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(SC)c3)C2)cc1Cl ZINC000001061570 525030609 /nfs/dbraw/zinc/03/06/09/525030609.db2.gz JPKRJOVXBPKXQT-AWEZNQCLSA-N 0 0 455.001 4.110 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)NCc4ccccc4)ccc32)cc1 ZINC000022505485 525032608 /nfs/dbraw/zinc/03/26/08/525032608.db2.gz CUZOWUQOGQSSDM-UHFFFAOYSA-N 0 0 451.548 4.158 50 0 JIAARN Cc1ccc(NC(=O)CN(C)C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000014650910 525041375 /nfs/dbraw/zinc/04/13/75/525041375.db2.gz JIRFFRFHJJDIFW-UHFFFAOYSA-N 0 0 468.907 4.376 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCCCC4)cc3)c2)C[C@@H](C)O1 ZINC000012515483 525054092 /nfs/dbraw/zinc/05/40/92/525054092.db2.gz MTWQFBHXONZPDT-WOJBJXKFSA-N 0 0 471.623 4.117 50 0 JIAARN Cc1ccccc1C(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)NCCc1c[nH]c3ccccc13)C2 ZINC000014961502 525066463 /nfs/dbraw/zinc/06/64/63/525066463.db2.gz JHFXOYWRPCSJID-QGZVFWFLSA-N 0 0 472.570 4.289 50 0 JIAARN Cc1ccc(NC(=O)CSc2ncc3c(n2)-c2cc(Cl)ccc2N(C)S3(=O)=O)cc1C ZINC000033039627 525083223 /nfs/dbraw/zinc/08/32/23/525083223.db2.gz UBFFOYKSRAZNJV-UHFFFAOYSA-N 0 0 474.995 4.283 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)cc1Cl ZINC000033026340 525090456 /nfs/dbraw/zinc/09/04/56/525090456.db2.gz CBODXJKXEAIYOP-UHFFFAOYSA-N 0 0 487.990 4.450 50 0 JIAARN COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000008727134 525096246 /nfs/dbraw/zinc/09/62/46/525096246.db2.gz GLGUZBFVEVFJGD-IBGZPJMESA-N 0 0 483.977 4.039 50 0 JIAARN Cc1ccc(NC(=O)Cn2nc3c(-c4nc(-c5ccc(Cl)cc5)no4)cccn3c2=O)cc1C ZINC000067219035 525107818 /nfs/dbraw/zinc/10/78/18/525107818.db2.gz IZACCGSPHRUSEF-UHFFFAOYSA-N 0 0 474.908 4.122 50 0 JIAARN COc1ccc(Sc2cc3c(cc2NS(=O)(=O)c2ccc(C)cc2C)n(C)c(=O)n3C)cc1 ZINC000045941071 525112871 /nfs/dbraw/zinc/11/28/71/525112871.db2.gz IKDNSTXYJYETJC-UHFFFAOYSA-N 0 0 483.615 4.454 50 0 JIAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Br)c(Cl)c1)c1ccccc1Cl ZINC000016248335 525151664 /nfs/dbraw/zinc/15/16/64/525151664.db2.gz IZUUFMRAJVYHTP-UHFFFAOYSA-N 0 0 452.157 4.161 50 0 JIAARN Cc1cc(NC(=O)Cc2cccc3ccccc32)n(-c2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)n1 ZINC000012444335 525162940 /nfs/dbraw/zinc/16/29/40/525162940.db2.gz FXMSCPSVKCMWMB-UHFFFAOYSA-N 0 0 493.502 4.076 50 0 JIAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)cc1C ZINC000033259252 525200938 /nfs/dbraw/zinc/20/09/38/525200938.db2.gz CKKISNPCOHZNDM-JOCHJYFZSA-N 0 0 467.573 4.312 50 0 JIAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1I ZINC000014075359 525201812 /nfs/dbraw/zinc/20/18/12/525201812.db2.gz AKHANEAYRDELSY-OAHLLOKOSA-N 0 0 466.294 4.230 50 0 JIAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)cc2)C1 ZINC000009833595 525206075 /nfs/dbraw/zinc/20/60/75/525206075.db2.gz FKQFGVWRXYJVHR-HZPDHXFCSA-N 0 0 465.413 4.046 50 0 JIAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)c(C)s2)no1 ZINC000014910840 525210879 /nfs/dbraw/zinc/21/08/79/525210879.db2.gz SOPPGYHKPZDVDQ-LLVKDONJSA-N 0 0 452.508 4.392 50 0 JIAARN Cc1ccc(NC(=O)[C@H](Sc2nnc(CCC(N)=O)n2CC(C)C)c2ccccc2)cc1 ZINC000017274569 525216912 /nfs/dbraw/zinc/21/69/12/525216912.db2.gz KJHCGAKMQBCPMQ-JOCHJYFZSA-N 0 0 451.596 4.133 50 0 JIAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1)c1ccc(-n2ccnc2)cc1 ZINC000009378331 525232088 /nfs/dbraw/zinc/23/20/88/525232088.db2.gz XHHIYUSRWDWMEZ-PMACEKPBSA-N 0 0 474.586 4.403 50 0 JIAARN Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000033058637 525240078 /nfs/dbraw/zinc/24/00/78/525240078.db2.gz BNMCCRDREOPCPX-UHFFFAOYSA-N 0 0 498.608 4.376 50 0 JIAARN Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)n(-c2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)n1 ZINC000012444312 525244940 /nfs/dbraw/zinc/24/49/40/525244940.db2.gz RAHBRLXNZAXVNR-UHFFFAOYSA-N 0 0 485.523 4.292 50 0 JIAARN Cc1cc(NC(=O)c2ccc(F)cc2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)n1 ZINC000017053547 525246480 /nfs/dbraw/zinc/24/64/80/525246480.db2.gz SNGXUGWVDGTZAU-UHFFFAOYSA-N 0 0 457.469 4.023 50 0 JIAARN Cc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000033263324 525257991 /nfs/dbraw/zinc/25/79/91/525257991.db2.gz WMWHHBLVENCIRX-OAHLLOKOSA-N 0 0 483.981 4.243 50 0 JIAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3C(=O)c3ccc(Br)o3)s2)cc1 ZINC000064930068 525262425 /nfs/dbraw/zinc/26/24/25/525262425.db2.gz KALFSEVPBHGQJO-ZDUSSCGKSA-N 0 0 461.341 4.432 50 0 JIAARN Cc1ccccc1NC(=O)c1nnc(COc2ccc(C(=O)NCc3cccnc3)cc2)s1 ZINC000033114276 525266258 /nfs/dbraw/zinc/26/62/58/525266258.db2.gz YYLWKNDLAXWJQG-UHFFFAOYSA-N 0 0 459.531 4.003 50 0 JIAARN Cc1ccccc1NC(=O)c1nnc([C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)s1 ZINC000046124087 525267143 /nfs/dbraw/zinc/26/71/43/525267143.db2.gz ZWNAFBKBVYESOJ-HNNXBMFYSA-N 0 0 477.011 4.321 50 0 JIAARN Cc1ccc(NC(=S)NC(=O)c2cccs2)cc1NC(=S)NC(=O)c1cccs1 ZINC000002163547 525267062 /nfs/dbraw/zinc/26/70/62/525267062.db2.gz OPUUPZZZYWKSDS-UHFFFAOYSA-N 0 0 460.631 4.372 50 0 JIAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(C(N)=O)cc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC000014830559 525274940 /nfs/dbraw/zinc/27/49/40/525274940.db2.gz MLURKVQLUXLBBA-ILBGXUMGSA-N 0 0 457.530 4.226 50 0 JIAARN Cc1ccccc1OCC(=O)NC(=S)Nc1cc(C)c(I)c(C)c1 ZINC000013946219 525278948 /nfs/dbraw/zinc/27/89/48/525278948.db2.gz GDNIGZWTDSFUIR-UHFFFAOYSA-N 0 0 454.333 4.108 50 0 JIAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1 ZINC000008889682 525284249 /nfs/dbraw/zinc/28/42/49/525284249.db2.gz RNLZYRAVNDBWBW-LJQANCHMSA-N 0 0 456.713 4.061 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C3CCC3)n2)cc1Cl ZINC000064946955 525304021 /nfs/dbraw/zinc/30/40/21/525304021.db2.gz LFVYBFPVTZOVAF-UHFFFAOYSA-N 0 0 474.926 4.056 50 0 JIAARN Cc1ccccc1Oc1nccnc1N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000033142020 525325290 /nfs/dbraw/zinc/32/52/90/525325290.db2.gz KFLZBRFIVVXUJB-UHFFFAOYSA-N 0 0 475.568 4.282 50 0 JIAARN Cc1ccc(OCC(=O)Nc2ccccc2N2CCN(Cc3nc4ccccc4n3C)CC2)cc1 ZINC000020367964 525395992 /nfs/dbraw/zinc/39/59/92/525395992.db2.gz TXWYJGBUWMJRSO-UHFFFAOYSA-N 0 0 469.589 4.221 50 0 JIAARN Cc1ccc(OCCN(C)C(=O)c2cn(C3CC3)cc(C(=O)NC3CCCCCC3)c2=O)cc1 ZINC000012244741 525416137 /nfs/dbraw/zinc/41/61/37/525416137.db2.gz KGWXERALTCJGSW-UHFFFAOYSA-N 0 0 465.594 4.095 50 0 JIAARN COc1ccc([C@H]2Nc3ccccc3-n3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1O ZINC000021659060 525430700 /nfs/dbraw/zinc/43/07/00/525430700.db2.gz HWCKXPDNJIHWIB-XMMPIXPASA-N 0 0 494.551 4.232 50 0 JIAARN COc1ccc([C@H]2[C@@H](C(=O)N(C)Cc3ccccc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020112807 525432466 /nfs/dbraw/zinc/43/24/66/525432466.db2.gz POHPODDSRXZNNC-UIOOFZCWSA-N 0 0 474.557 4.282 50 0 JIAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)NC(C)C)cc1 ZINC000036122875 525433639 /nfs/dbraw/zinc/43/36/39/525433639.db2.gz RSKOUKFTUHNFPN-FYYLOGMGSA-N 0 0 485.650 4.160 50 0 JIAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)NC(C)C)c(C)c1 ZINC000036122572 525434029 /nfs/dbraw/zinc/43/40/29/525434029.db2.gz IGBUAQICXYDYLR-FYYLOGMGSA-N 0 0 499.677 4.469 50 0 JIAARN Cc1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000033320885 525439490 /nfs/dbraw/zinc/43/94/90/525439490.db2.gz LMXLSMFITFSFMJ-DHIUTWEWSA-N 0 0 455.558 4.301 50 0 JIAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2NC(=O)c2c[nH]c3ccccc23)cc1 ZINC000008952103 525440360 /nfs/dbraw/zinc/44/03/60/525440360.db2.gz ZICYRVWQSIOXCT-SANMLTNESA-N 0 0 471.513 4.013 50 0 JIAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)C2CC2)c(C)c1 ZINC000036119028 525441094 /nfs/dbraw/zinc/44/10/94/525441094.db2.gz JMRNYEPRXZQUDI-GGAORHGYSA-N 0 0 482.646 4.287 50 0 JIAARN Cc1ccc(OCc2nc(CN(CCN3CCOCC3)C(=O)c3ccccc3)cs2)cc1C ZINC000036106840 525448054 /nfs/dbraw/zinc/44/80/54/525448054.db2.gz RNOOLHXFGUBLCC-UHFFFAOYSA-N 0 0 465.619 4.314 50 0 JIAARN Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)n2N)c(C)c1 ZINC000008724892 525451946 /nfs/dbraw/zinc/45/19/46/525451946.db2.gz NZXZPLYHNUINNR-INIZCTEOSA-N 0 0 480.619 4.431 50 0 JIAARN Cc1ccc(OCn2ccc(C(=O)N3CCN(Cc4ccc(F)cc4Cl)CC3)n2)c(C)c1 ZINC000020528499 525454502 /nfs/dbraw/zinc/45/45/02/525454502.db2.gz MKTRNPZVNFGNNH-UHFFFAOYSA-N 0 0 456.949 4.287 50 0 JIAARN Cc1cccnc1-n1c(=O)c2ccccc2nc1SCc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000012523369 525475980 /nfs/dbraw/zinc/47/59/80/525475980.db2.gz GYPSXQNCAQJWKC-UHFFFAOYSA-N 0 0 461.934 4.271 50 0 JIAARN Cc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)c(Cl)c2)cc1C ZINC000008934439 525479151 /nfs/dbraw/zinc/47/91/51/525479151.db2.gz UAKXFXSASATEHR-UHFFFAOYSA-N 0 0 459.333 4.198 50 0 JIAARN COc1ccc2c(c1)C(N1CCN(S(=O)(=O)c3ccccc3C)CC1)=Nc1ccccc1O2 ZINC000034814656 525508271 /nfs/dbraw/zinc/50/82/71/525508271.db2.gz LLZYDPMTIAWWTN-UHFFFAOYSA-N 0 0 463.559 4.194 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@H]3c3nc4ccccc4s3)CC2)c(C)c1 ZINC000025056419 525539312 /nfs/dbraw/zinc/53/93/12/525539312.db2.gz XEDHYXOJJKIVIZ-NHCUHLMSSA-N 0 0 495.670 4.496 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(c3nc4cc(Br)ccc4n4cccc34)CC2)cc1C ZINC000021780296 525546898 /nfs/dbraw/zinc/54/68/98/525546898.db2.gz WKYRJOZQBQATRE-UHFFFAOYSA-N 0 0 499.434 4.378 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)Cc4c(F)cccc4Cl)sc3C2)cc1 ZINC000021654635 525553966 /nfs/dbraw/zinc/55/39/66/525553966.db2.gz PPDDXJKOZBBRGB-UHFFFAOYSA-N 0 0 479.986 4.172 50 0 JIAARN CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000033124347 525555259 /nfs/dbraw/zinc/55/52/59/525555259.db2.gz QQWQZLWHLJRUTC-HRNYAPDYSA-N 0 0 482.631 4.103 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@@H](C)c3ccccc3)Oc3cc(C)ccc32)cc1 ZINC000064985952 525557573 /nfs/dbraw/zinc/55/75/73/525557573.db2.gz CVOVFYLDEPVWBY-YADARESESA-N 0 0 450.560 4.137 50 0 JIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1cccc(OC)c1)C(=O)N2Cc1ccccc1F ZINC000036165938 525582685 /nfs/dbraw/zinc/58/26/85/525582685.db2.gz IEHVDQFTQXLKAT-AREMUKBSSA-N 0 0 478.545 4.432 50 0 JIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1cccc(OC)c1)C(=O)N2Cc1ccc(F)cc1 ZINC000036165990 525582813 /nfs/dbraw/zinc/58/28/13/525582813.db2.gz XVDHEVYKMBBMFZ-AREMUKBSSA-N 0 0 478.545 4.432 50 0 JIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)NC1CCCCC1)C(=O)N2Cc1ccccc1 ZINC000036155811 525594196 /nfs/dbraw/zinc/59/41/96/525594196.db2.gz UOAGNYAFWFWHCH-VWLOTQADSA-N 0 0 451.592 4.486 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3noc([C@H](C)NC(=O)c4ccccc4)n3)cc2)cc1 ZINC000021702567 525597408 /nfs/dbraw/zinc/59/74/08/525597408.db2.gz LCYOZXUIOABOMQ-KRWDZBQOSA-N 0 0 462.531 4.337 50 0 JIAARN COc1ccc2c(c1)c(NC(C)=O)c1n2C[C@@](C)(C(=O)NC2CCCC2)N(Cc2cccs2)C1=O ZINC000021865920 525602775 /nfs/dbraw/zinc/60/27/75/525602775.db2.gz PXQQUXABIHJQMR-SANMLTNESA-N 0 0 494.617 4.143 50 0 JIAARN Cc1ccn2c(=O)nc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)nc2c1 ZINC000016689536 525606903 /nfs/dbraw/zinc/60/69/03/525606903.db2.gz MKZHSUBBUFHYBD-GOSISDBHSA-N 0 0 479.562 4.069 50 0 JIAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002092339 525611768 /nfs/dbraw/zinc/61/17/68/525611768.db2.gz HNBKFLMKTIMSBH-VLIAUNLRSA-N 0 0 498.841 4.175 50 0 JIAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3oncc3-c3ccccc3)c2=O)cc1C ZINC000035462844 525629999 /nfs/dbraw/zinc/62/99/99/525629999.db2.gz ALLXLHSMGCKNEM-UHFFFAOYSA-N 0 0 491.569 4.208 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)Cc3ccccc3)sc2NCc2ccco2)cc1 ZINC000002824844 525634277 /nfs/dbraw/zinc/63/42/77/525634277.db2.gz YMHMLBDVDALYJR-UHFFFAOYSA-N 0 0 488.612 4.463 50 0 JIAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000023878777 525638528 /nfs/dbraw/zinc/63/85/28/525638528.db2.gz VRCWLQIXNPATLX-QWHCGFSZSA-N 0 0 458.363 4.128 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(CCc1cccs1)C3=O ZINC000021857618 525643877 /nfs/dbraw/zinc/64/38/77/525643877.db2.gz VBMKTUGIEOBTPD-RUZDIDTESA-N 0 0 451.592 4.227 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC[C@@H]1CCCO1)N(Cc1cccc(Cl)c1)C3=O ZINC000021859759 525644893 /nfs/dbraw/zinc/64/48/93/525644893.db2.gz YEMMJQPLZSLRDS-LVXARBLLSA-N 0 0 481.980 4.013 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC[C@H]1CCCO1)N(CCc1ccc(Cl)cc1)C3=O ZINC000021859846 525645386 /nfs/dbraw/zinc/64/53/86/525645386.db2.gz FRYIOAXDKYIXHT-AJTFRIOCSA-N 0 0 496.007 4.056 50 0 JIAARN Cc1ccc(SCC(=O)Nc2ccc(C(=O)OCc3cc(=O)n4ccsc4n3)cc2)cc1 ZINC000021632617 525647516 /nfs/dbraw/zinc/64/75/16/525647516.db2.gz BSZOXNRACJCGEQ-UHFFFAOYSA-N 0 0 465.556 4.152 50 0 JIAARN Cc1c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)[nH]c2c1C(=O)CCC2 ZINC000022744004 525655394 /nfs/dbraw/zinc/65/53/94/525655394.db2.gz KGXBEFMUELUFDP-UHFFFAOYSA-N 0 0 455.511 4.343 50 0 JIAARN Cc1cc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc(=O)c2cc1C ZINC000008612192 525691925 /nfs/dbraw/zinc/69/19/25/525691925.db2.gz KQYGRSKICXEINN-UHFFFAOYSA-N 0 0 454.548 4.083 50 0 JIAARN COc1cccc(-c2cc(N3CCN(C(=O)Nc4ccccc4Br)CC3)ncn2)c1 ZINC000065007704 525705183 /nfs/dbraw/zinc/70/51/83/525705183.db2.gz JULNOLJZIQSEFZ-UHFFFAOYSA-N 0 0 468.355 4.269 50 0 JIAARN COc1cccc(-c2cc3c(N4CCC[C@H](C(=O)NCc5cc(F)cc(F)c5)C4)nccn3n2)c1 ZINC000033266462 525708849 /nfs/dbraw/zinc/70/88/49/525708849.db2.gz PEXRPZYNDAGEGL-IBGZPJMESA-N 0 0 477.515 4.216 50 0 JIAARN COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)CN2C[C@H](c4ccccc4)CC2=O)C3)c1 ZINC000014982554 525711513 /nfs/dbraw/zinc/71/15/13/525711513.db2.gz FCYPJNYTXDRKKS-HSZRJFAPSA-N 0 0 486.568 4.108 50 0 JIAARN Cc1ccc(-c2cc(-c3nnc(SCC(=O)NC4CCCC4)n3N)c3ccccc3n2)cc1 ZINC000002648142 525714154 /nfs/dbraw/zinc/71/41/54/525714154.db2.gz VTYCJEQWGBJTLX-UHFFFAOYSA-N 0 0 458.591 4.333 50 0 JIAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3Cl)[C@@H]3CCS(=O)(=O)C3)no2)cc1C ZINC000021786374 525718354 /nfs/dbraw/zinc/71/83/54/525718354.db2.gz QMDUIEDUMMOVLH-LJQANCHMSA-N 0 0 458.967 4.441 50 0 JIAARN COc1cccc(-c2nc(CN3CCN(c4cc(C)nc(C(C)C)n4)CC3)cs2)c1OC ZINC000029632245 525725087 /nfs/dbraw/zinc/72/50/87/525725087.db2.gz RNJBKILHXRGEOB-UHFFFAOYSA-N 0 0 453.612 4.371 50 0 JIAARN COc1cccc(-c2nn(Cc3nc(-c4ccc(OC)c(OC)c4)oc3C)c(=O)c3noc(C)c32)c1 ZINC000021883116 525731701 /nfs/dbraw/zinc/73/17/01/525731701.db2.gz UGBGLEHLNCFLOM-UHFFFAOYSA-N 0 0 488.500 4.397 50 0 JIAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2Cc2ccco2)c1 ZINC000002444757 525733524 /nfs/dbraw/zinc/73/35/24/525733524.db2.gz ZOFURQTXGBQBBE-UHFFFAOYSA-N 0 0 480.546 4.343 50 0 JIAARN C[C@@H](Nc1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000008912378 525736415 /nfs/dbraw/zinc/73/64/15/525736415.db2.gz DVFHHAYRTIQGDG-GFCCVEGCSA-N 0 0 456.998 4.206 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1 ZINC000033302360 525743849 /nfs/dbraw/zinc/74/38/49/525743849.db2.gz DOBPYTXLLSBKFD-UHFFFAOYSA-N 0 0 488.613 4.297 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000033302347 525744784 /nfs/dbraw/zinc/74/47/84/525744784.db2.gz SPQANWYFPIHADZ-UHFFFAOYSA-N 0 0 478.549 4.450 50 0 JIAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccccc4)C(=O)C4CCC4)CC3)nn2)cc1 ZINC000036070050 525752951 /nfs/dbraw/zinc/75/29/51/525752951.db2.gz SWGHCGVKIQMWIV-UHFFFAOYSA-N 0 0 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Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000064947284 527528474 /nfs/dbraw/zinc/52/84/74/527528474.db2.gz VJFAODQJXUSTMD-UHFFFAOYSA-N 0 0 462.978 4.101 50 0 JIAARN O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000016047596 527530295 /nfs/dbraw/zinc/53/02/95/527530295.db2.gz QGBBEKSFQZNKDW-UHFFFAOYSA-N 0 0 467.334 4.080 50 0 JIAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC(NC(=O)c4ccccc4F)CC3)sc12 ZINC000065299601 527530418 /nfs/dbraw/zinc/53/04/18/527530418.db2.gz DEMVAOIBFQSVSG-UHFFFAOYSA-N 0 0 453.518 4.467 50 0 JIAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccccc1OCc1cccc(F)c1)CC(=O)N2 ZINC000021726321 527532414 /nfs/dbraw/zinc/53/24/14/527532414.db2.gz ACPSDHLCHMHXQA-HXUWFJFHSA-N 0 0 483.507 4.119 50 0 JIAARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3C(F)(F)F)co2)s1)C1CC1 ZINC000016047836 527536475 /nfs/dbraw/zinc/53/64/75/527536475.db2.gz WJTLBISNLUCMFU-UHFFFAOYSA-N 0 0 497.476 4.370 50 0 JIAARN Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 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/nfs/dbraw/zinc/65/40/28/527654028.db2.gz VJGUWHWHSRGWDK-UHFFFAOYSA-N 0 0 482.650 4.023 50 0 JIAARN CC[C@@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)COC ZINC000096290823 535557840 /nfs/dbraw/zinc/55/78/40/535557840.db2.gz SGFKKMPHFIROOA-OAHLLOKOSA-N 0 0 489.512 4.255 50 0 JIAARN CCCn1c(C(=O)NCCOC)cc2cc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)ccc21 ZINC000096278812 535583579 /nfs/dbraw/zinc/58/35/79/535583579.db2.gz YTTCVGCVEMRPPU-UHFFFAOYSA-N 0 0 483.512 4.247 50 0 JIAARN COCCCN1C(=O)C(Nc2ccccc2)=C(Sc2ccc(NC(=O)c3ccco3)cc2)C1=O ZINC000096288586 536541408 /nfs/dbraw/zinc/54/14/08/536541408.db2.gz NTLUYJUEOBIJMU-UHFFFAOYSA-N 0 0 477.542 4.353 50 0 JIAARN COc1ccc(NC(=O)CSc2nccn2-c2ccc(C(=O)NCc3ccco3)cc2)cc1OC ZINC000096324533 536776816 /nfs/dbraw/zinc/77/68/16/536776816.db2.gz BOPXRJHSVFOZES-UHFFFAOYSA-N 0 0 492.557 4.143 50 0 JIAARN COc1ccc(CN(C[C@@H]2CCCO2)C(C)=O)cc1OS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000096294063 536856949 /nfs/dbraw/zinc/85/69/49/536856949.db2.gz 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COc1ccc(CC(=O)NCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000000633910 553719872 /nfs/dbraw/zinc/71/98/72/553719872.db2.gz CKZADAXPEHMZGO-UHFFFAOYSA-N 0 0 451.379 4.282 50 0 JIAARN COc1ccc(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000000653134 553733974 /nfs/dbraw/zinc/73/39/74/553733974.db2.gz BDUOZYIVOCQVLB-UHFFFAOYSA-N 0 0 487.965 4.141 50 0 JIAARN O=C(c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21)N1NC(C(F)F)=C[C@]1(O)C(F)F ZINC000000654248 553734815 /nfs/dbraw/zinc/73/48/15/553734815.db2.gz QKAFJKWQPLBXHZ-QFIPXVFZSA-N 0 0 461.371 4.051 50 0 JIAARN COc1ccc(Cl)cc1N(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc(C)cc1 ZINC000000656656 553736609 /nfs/dbraw/zinc/73/66/09/553736609.db2.gz DGIUAWIMIDLULG-UHFFFAOYSA-N 0 0 485.005 4.437 50 0 JIAARN Cc1ccc(N(Cc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)S(C)(=O)=O)cc1C ZINC000000656491 553736626 /nfs/dbraw/zinc/73/66/26/553736626.db2.gz RZNWYPGGVVAJIB-UHFFFAOYSA-N 0 0 452.532 4.251 50 0 JIAARN COc1cc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2)cc(OC)c1OC ZINC000000669596 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CCOC(=O)c1c(NC(=O)[C@@H](CC)N2C(=O)c3ccccc3C2=O)sc2c1CCCCC2 ZINC000000728968 553775147 /nfs/dbraw/zinc/77/51/47/553775147.db2.gz KCCZHDPROVSPGN-QGZVFWFLSA-N 0 0 454.548 4.207 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1 ZINC000000755259 553777759 /nfs/dbraw/zinc/77/77/59/553777759.db2.gz SCLYLBFLRQKVNH-UHFFFAOYSA-N 0 0 450.545 4.283 50 0 JIAARN O=C(CS[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000000778066 553778204 /nfs/dbraw/zinc/77/82/04/553778204.db2.gz GXJVNVXNAJAFFT-HNNXBMFYSA-N 0 0 453.745 4.106 50 0 JIAARN COc1cccc(-n2c(SCC(=O)Nc3ccc(NC(C)=O)cc3)nc3ccccc3c2=O)c1 ZINC000000780907 553779058 /nfs/dbraw/zinc/77/90/58/553779058.db2.gz VOIICPDUHWGNTH-UHFFFAOYSA-N 0 0 474.542 4.084 50 0 JIAARN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000000792468 553781826 /nfs/dbraw/zinc/78/18/26/553781826.db2.gz JWEPTFPZSAWTQP-UHFFFAOYSA-N 0 0 451.586 4.324 50 0 JIAARN CCOC(=O)[C@H](C)Oc1cc(O[C@@H](C)C(=O)OCC)c2c(=O)cc(-c3ccccc3)oc2c1 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COC(=O)c1cc(Cl)c(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)cc1OC ZINC000000944143 553878375 /nfs/dbraw/zinc/87/83/75/553878375.db2.gz LWEJGHNEKUOAPN-UHFFFAOYSA-N 0 0 488.718 4.176 50 0 JIAARN COc1ccc(CCn2c(C)cc(C(=O)CSc3nnnn3-c3ccccc3)c2C)cc1OC ZINC000000944649 553878695 /nfs/dbraw/zinc/87/86/95/553878695.db2.gz BZZCPXCKFCIUCA-UHFFFAOYSA-N 0 0 477.590 4.316 50 0 JIAARN O=C1C(Cl)=C(Nc2ccc(I)cc2)C(=O)N1c1ccccc1Cl ZINC000000949116 553880288 /nfs/dbraw/zinc/88/02/88/553880288.db2.gz HPFMOEFPIPUIFS-UHFFFAOYSA-N 0 0 459.070 4.380 50 0 JIAARN COc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccccc4)nn32)cc1OC ZINC000000949744 553880390 /nfs/dbraw/zinc/88/03/90/553880390.db2.gz JKYWLYABXSTKJV-QHCPKHFHSA-N 0 0 468.517 4.285 50 0 JIAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000000952942 553882161 /nfs/dbraw/zinc/88/21/61/553882161.db2.gz MGZOAUBPGCKOJX-UHFFFAOYSA-N 0 0 464.616 4.234 50 0 JIAARN Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)c(Br)c3)CC2)cc1Br ZINC000000955311 553883127 /nfs/dbraw/zinc/88/31/27/553883127.db2.gz DEXPHVOUQRQKAJ-UHFFFAOYSA-N 0 0 480.200 4.427 50 0 JIAARN O=C(NC(=S)Nc1ccc(I)cc1Cl)c1cncc(Br)c1 ZINC000000977553 553889746 /nfs/dbraw/zinc/88/97/46/553889746.db2.gz ZPKFDBALKZEDCW-UHFFFAOYSA-N 0 0 496.555 4.229 50 0 JIAARN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1C(C)C ZINC000000981341 553891426 /nfs/dbraw/zinc/89/14/26/553891426.db2.gz HQMMOYYRDMZGDW-PXLXIMEGSA-N 0 0 466.607 4.071 50 0 JIAARN O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl ZINC000000990399 553894846 /nfs/dbraw/zinc/89/48/46/553894846.db2.gz DYNHUEIVCKAVHW-UHFFFAOYSA-N 0 0 455.967 4.103 50 0 JIAARN COc1ccccc1NCN1C(=O)S/C(=C\c2ccc(I)cc2)C1=O ZINC000001021091 553900498 /nfs/dbraw/zinc/90/04/98/553900498.db2.gz WYOAOVTZTDNSAC-YBEGLDIGSA-N 0 0 466.300 4.406 50 0 JIAARN CCOC(=O)C1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 ZINC000001032048 553901116 /nfs/dbraw/zinc/90/11/16/553901116.db2.gz GFLLCGAKARMBJW-IBGZPJMESA-N 0 0 497.393 4.220 50 0 JIAARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(CO)c4ccccc4C3c3ccccc32)c(Br)c1 ZINC000001060778 553902739 /nfs/dbraw/zinc/90/27/39/553902739.db2.gz XVIJLUFNOAVIOR-QQNJPBSNSA-N 0 0 474.354 4.301 50 0 JIAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc2ccccc2c1Br ZINC000001124335 553913340 /nfs/dbraw/zinc/91/33/40/553913340.db2.gz MTKNIMZABHRKMM-UHFFFAOYSA-N 0 0 474.307 4.424 50 0 JIAARN O=C(OCc1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1cc(Br)ccc1O ZINC000001124313 553913345 /nfs/dbraw/zinc/91/33/45/553913345.db2.gz PLRXRTBQEPVBGN-UHFFFAOYSA-N 0 0 461.333 4.486 50 0 JIAARN CCOC(=O)COc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Br ZINC000001167523 553921126 /nfs/dbraw/zinc/92/11/26/553921126.db2.gz WBCZVSYGKTWRPG-YVLHZVERSA-N 0 0 493.741 4.137 50 0 JIAARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OCc1ccccc1)[C@H]2c1cccs1 ZINC000001460090 553975113 /nfs/dbraw/zinc/97/51/13/553975113.db2.gz RALJNBDTLUUGNV-YFYZNPQRSA-N 0 0 451.544 4.105 50 0 JIAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000002059940 554016389 /nfs/dbraw/zinc/01/63/89/554016389.db2.gz CPIHMTFNTYOCKG-LJJBLSSYSA-N 0 0 474.969 4.215 50 0 JIAARN CCOC(=O)CSc1nc2sc(C(=O)OCC)c(N)c2c(-c2ccc(Cl)cc2)n1 ZINC000002086880 554032266 /nfs/dbraw/zinc/03/22/66/554032266.db2.gz BMWASBMHDAORQV-UHFFFAOYSA-N 0 0 451.957 4.426 50 0 JIAARN COc1ccc(CCNC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1OC ZINC000002092073 554035283 /nfs/dbraw/zinc/03/52/83/554035283.db2.gz SHSKRKZPWOUJMK-UHFFFAOYSA-N 0 0 459.498 4.215 50 0 biogenic JIAARN CCc1cc(=O)oc2c(C)c(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)[C@@H](C)CC)ccc12 ZINC000002092023 554035303 /nfs/dbraw/zinc/03/53/03/554035303.db2.gz JMWAZPNUMIIFAI-QMHKHESXSA-N 0 0 471.575 4.271 50 0 JIAARN CCCCc1cc(=O)oc2cc(OC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)c(Cl)cc12 ZINC000002092513 554035912 /nfs/dbraw/zinc/03/59/12/554035912.db2.gz PAIXPOSSYWYDRA-OAHLLOKOSA-N 0 0 477.966 4.370 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)cc1 ZINC000002094361 554038114 /nfs/dbraw/zinc/03/81/14/554038114.db2.gz LGVMJKCDBSTUEM-IBGZPJMESA-N 0 0 491.565 4.273 50 0 biogenic JIAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1C ZINC000002094264 554038216 /nfs/dbraw/zinc/03/82/16/554038216.db2.gz SYLFMCPPXNXABU-QRQCRPRQSA-N 0 0 457.548 4.017 50 0 biogenic JIAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](CC)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002094452 554038394 /nfs/dbraw/zinc/03/83/94/554038394.db2.gz ITVRYVUXKOZPMU-HXUWFJFHSA-N 0 0 457.548 4.025 50 0 biogenic JIAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000002094800 554039027 /nfs/dbraw/zinc/03/90/27/554039027.db2.gz KNZVLUOZEKTOIU-WAIKUNEKSA-N 0 0 483.586 4.197 50 0 JIAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](CC)NS(=O)(=O)c3ccc(C)cc3)c12 ZINC000002095771 554040255 /nfs/dbraw/zinc/04/02/55/554040255.db2.gz DKQNPZYCDSSKQR-LJQANCHMSA-N 0 0 457.548 4.025 50 0 biogenic JIAARN C=CCOc1c(Br)cc(/C=C2\SC(=O)N([C@@H](C)C(=O)OCC)C2=O)cc1OC ZINC000002099546 554041980 /nfs/dbraw/zinc/04/19/80/554041980.db2.gz MTORKLUFWWAOKQ-SAIXKJTDSA-N 0 0 470.341 4.010 50 0 JIAARN COc1cccc(CN2CC(=O)N3[C@H](c4cccc(OC)c4)c4[nH]c5ccccc5c4C[C@H]3C2=O)c1 ZINC000002103641 554044226 /nfs/dbraw/zinc/04/42/26/554044226.db2.gz WHNOEHMLGKVSNU-LBNVMWSVSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000002120630 554055630 /nfs/dbraw/zinc/05/56/30/554055630.db2.gz ZEWSQMJWHATBOJ-PZHBDVNGSA-N 0 0 460.580 4.013 50 0 JIAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000002120909 554056063 /nfs/dbraw/zinc/05/60/63/554056063.db2.gz ISSRXLYHJKAISM-OECQAKIHSA-N 0 0 454.592 4.190 50 0 JIAARN CCCC(=O)O[C@@H]1C[C@]2(C)C(C(=O)COC(C)=O)=CC[C@@H]2[C@@H]2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F ZINC000002130694 554060303 /nfs/dbraw/zinc/06/03/03/554060303.db2.gz ZSPGCTALETZWPV-SQTQKOIDSA-N 0 0 472.553 4.377 50 0 JIAARN COC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(OC)cc3)N2C1=O ZINC000002135169 554061733 /nfs/dbraw/zinc/06/17/33/554061733.db2.gz YTMROUDMDPVDIQ-ZCYQVOJMSA-N 0 0 481.508 4.446 50 0 biogenic JIAARN CCCCc1cc(=O)oc2cc(OC(=O)[C@@H](CC)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002148307 554067813 /nfs/dbraw/zinc/06/78/13/554067813.db2.gz LWTSYQDMGRFFTA-OAQYLSRUSA-N 0 0 457.548 4.107 50 0 biogenic JIAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(O)c(OC)c2)cc1OC ZINC000002153246 554071023 /nfs/dbraw/zinc/07/10/23/554071023.db2.gz FHWABJAFXIDSEL-RUZDIDTESA-N 0 0 487.508 4.312 50 0 biogenic JIAARN O=C(CCNC(=O)OCc1ccccc1)Oc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000002157555 554073220 /nfs/dbraw/zinc/07/32/20/554073220.db2.gz WBIZZCXCYFHMFK-UHFFFAOYSA-N 0 0 459.454 4.388 50 0 biogenic JIAARN O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCCc1ccccc1 ZINC000002178359 554078598 /nfs/dbraw/zinc/07/85/98/554078598.db2.gz MIPFLBLEKUHDJG-UHFFFAOYSA-N 0 0 460.958 4.029 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)[C@](F)(OC)C(F)(F)F ZINC000002191901 554087155 /nfs/dbraw/zinc/08/71/55/554087155.db2.gz AEBQVUMBCJRPHE-SFHVURJKSA-N 0 0 462.421 4.299 50 0 JIAARN CCOC(CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CCC3)OCC ZINC000002210979 554095064 /nfs/dbraw/zinc/09/50/64/554095064.db2.gz SYVNUTGRPGDYLZ-UHFFFAOYSA-N 0 0 456.593 4.075 50 0 JIAARN COc1cc(C(=O)Nc2c(-c3ccccc3)c(=O)c(C)nn2-c2ccccc2)cc(OC)c1OC ZINC000002229536 554104736 /nfs/dbraw/zinc/10/47/36/554104736.db2.gz KYLZRMNUJJTSSJ-UHFFFAOYSA-N 0 0 471.513 4.486 50 0 JIAARN COc1ccc(Cn2c(N)c(C(=O)NCCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002290567 554135065 /nfs/dbraw/zinc/13/50/65/554135065.db2.gz OLZNDFBJSZYUJN-UHFFFAOYSA-N 0 0 451.530 4.196 50 0 JIAARN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OS(=O)(=O)c1ccccc1 ZINC000002293017 554136559 /nfs/dbraw/zinc/13/65/59/554136559.db2.gz NTAZHMRVDUUQFL-UHFFFAOYSA-N 0 0 468.556 4.307 50 0 JIAARN Cc1ccccc1OCc1nc2ccccc2c(=O)n1NC(=O)c1ccc(Br)cc1 ZINC000002314426 554145111 /nfs/dbraw/zinc/14/51/11/554145111.db2.gz CSTREZHQBVLHQO-UHFFFAOYSA-N 0 0 464.319 4.430 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=S)NC(=O)c1cccnc1 ZINC000002316473 554145617 /nfs/dbraw/zinc/14/56/17/554145617.db2.gz WBIMUKHYOGDDKO-UHFFFAOYSA-N 0 0 482.587 4.316 50 0 JIAARN C[C@H](c1ccccc1)n1c(N)c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002340840 554155979 /nfs/dbraw/zinc/15/59/79/554155979.db2.gz SQQHLJFPEVGMTA-MRXNPFEDSA-N 0 0 465.513 4.435 50 0 JIAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000002341767 554156269 /nfs/dbraw/zinc/15/62/69/554156269.db2.gz JPVSUTWMMPHMLO-FSSWDIPSSA-N 0 0 484.984 4.411 50 0 JIAARN CCOC(=O)[C@H](CC(C)C)NC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccccc1 ZINC000002344559 554158154 /nfs/dbraw/zinc/15/81/54/554158154.db2.gz WGRJOODZWQIHGV-LDVBQKTRSA-N 0 0 487.394 4.314 50 0 JIAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(Br)cc2)CCO1 ZINC000002369133 554169317 /nfs/dbraw/zinc/16/93/17/554169317.db2.gz LAEZQJWZUHSRKV-CZUORRHYSA-N 0 0 452.374 4.256 50 0 JIAARN CCn1c(=O)c2cc3c(nc2nc1SCC(=O)Nc1cccc(Cl)c1)CC(C)(C)OC3 ZINC000002371759 554170922 /nfs/dbraw/zinc/17/09/22/554170922.db2.gz ASKKDMPQMISRDK-UHFFFAOYSA-N 0 0 458.971 4.047 50 0 JIAARN CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000002373749 554172099 /nfs/dbraw/zinc/17/20/99/554172099.db2.gz WAOPDGJPWSIKFP-JOCHJYFZSA-N 0 0 483.586 4.341 50 0 JIAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000002373736 554172148 /nfs/dbraw/zinc/17/21/48/554172148.db2.gz JULYUQMAITWJJG-MAUKXSAKSA-N 0 0 456.391 4.285 50 0 JIAARN CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2N)c1 ZINC000002379840 554175006 /nfs/dbraw/zinc/17/50/06/554175006.db2.gz KCJWOLSEHAJPGZ-UHFFFAOYSA-N 0 0 452.367 4.484 50 0 JIAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@]1(C)CC1(Br)Br ZINC000002383469 554176529 /nfs/dbraw/zinc/17/65/29/554176529.db2.gz GJKLESPAGMREIU-INIZCTEOSA-N 0 0 474.149 4.188 50 0 JIAARN CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002384445 554177002 /nfs/dbraw/zinc/17/70/02/554177002.db2.gz NZMNHNRRSYXINX-QFIPXVFZSA-N 0 0 469.559 4.033 50 0 JIAARN COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000002398853 554184452 /nfs/dbraw/zinc/18/44/52/554184452.db2.gz WFALGJSNNQEEKQ-DNQXCXABSA-N 0 0 454.461 4.417 50 0 JIAARN COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC(C)C)cc1OC ZINC000002414336 554193911 /nfs/dbraw/zinc/19/39/11/554193911.db2.gz KTINBNQMDCWQHX-QHCPKHFHSA-N 0 0 451.519 4.479 50 0 JIAARN COc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nnc(CC(C)C)s2)ccc1O ZINC000002417909 554196530 /nfs/dbraw/zinc/19/65/30/554196530.db2.gz MODLVUZKLHNXDP-HXUWFJFHSA-N 0 0 481.505 4.446 50 0 JIAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc(Br)c2)N1C[C@H]1CCCO1 ZINC000002420337 554197793 /nfs/dbraw/zinc/19/77/93/554197793.db2.gz RLIAFSPAXGIAEH-BEFAXECRSA-N 0 0 458.283 4.419 50 0 JIAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(Br)c2)N1C[C@@H]1CCCO1 ZINC000002420340 554197906 /nfs/dbraw/zinc/19/79/06/554197906.db2.gz RLIAFSPAXGIAEH-HNAYVOBHSA-N 0 0 458.283 4.419 50 0 JIAARN COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nnc(C)s2)cc(OC)c1OC ZINC000002420738 554198281 /nfs/dbraw/zinc/19/82/81/554198281.db2.gz AFMVXBNOSJXHFD-SFHVURJKSA-N 0 0 499.932 4.382 50 0 JIAARN O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000002421601 554198797 /nfs/dbraw/zinc/19/87/97/554198797.db2.gz KTAILKMMKASGQV-PBWVOLNLSA-N 0 0 476.747 4.078 50 0 JIAARN Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000002432025 554205538 /nfs/dbraw/zinc/20/55/38/554205538.db2.gz AEFPDQHBOGSGGK-FXKZBUDASA-N 0 0 489.881 4.098 50 0 JIAARN CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002438941 554208706 /nfs/dbraw/zinc/20/87/06/554208706.db2.gz VOMHSBFRBSGCRH-HSZRJFAPSA-N 0 0 483.586 4.423 50 0 JIAARN O=C([C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12)N1CCN(c2ccc(F)cc2)CC1 ZINC000002466647 554224207 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CCOC(=O)C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)OCC(F)(F)F)c1ccccc1Cl ZINC000008869862 554764057 /nfs/dbraw/zinc/76/40/57/554764057.db2.gz YETSFNAMGSRZAE-ZQIUZPCESA-N 0 0 463.880 4.362 50 0 JIAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000008878876 554774520 /nfs/dbraw/zinc/77/45/20/554774520.db2.gz GGCSCGTVLREJSW-HNNXBMFYSA-N 0 0 477.874 4.430 50 0 JIAARN COc1ccc(CCNC(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)cc1OC ZINC000008880234 554775780 /nfs/dbraw/zinc/77/57/80/554775780.db2.gz MWOBIJPZWZPFKG-UHFFFAOYSA-N 0 0 472.586 4.208 50 0 JIAARN O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000008880626 554776070 /nfs/dbraw/zinc/77/60/70/554776070.db2.gz SIBYZUIZFNGXKC-UHFFFAOYSA-N 0 0 490.610 4.128 50 0 JIAARN O=C(Oc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000008881489 554776650 /nfs/dbraw/zinc/77/66/50/554776650.db2.gz QZFWXTBRSJXQKC-UHFFFAOYSA-N 0 0 491.871 4.094 50 0 JIAARN COc1ccc(-c2nnc(S[C@@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)n2C)cc1 ZINC000008896945 554786971 /nfs/dbraw/zinc/78/69/71/554786971.db2.gz YRMVLMTUROTXPR-LJQANCHMSA-N 0 0 470.982 4.458 50 0 JIAARN Cc1n[nH]c(C)c1Cc1cc(C(=O)NCCc2ccc(Cl)cc2)sc1N1CCOCC1 ZINC000008912117 554801906 /nfs/dbraw/zinc/80/19/06/554801906.db2.gz ZFJWOSHQSIRVMS-UHFFFAOYSA-N 0 0 459.015 4.141 50 0 JIAARN COc1ccc(OC)c(CNC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)c1 ZINC000008912205 554802098 /nfs/dbraw/zinc/80/20/98/554802098.db2.gz UBWLPTNLAROTNM-UHFFFAOYSA-N 0 0 462.575 4.230 50 0 JIAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccc(F)cc2)s1 ZINC000008912493 554802929 /nfs/dbraw/zinc/80/29/29/554802929.db2.gz JJAVCVVIEDBUEJ-UHFFFAOYSA-N 0 0 468.597 4.219 50 0 JIAARN COCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccc(F)cc2)cc1 ZINC000008913382 554805304 /nfs/dbraw/zinc/80/53/04/554805304.db2.gz MZEQHOAITPRUNS-UHFFFAOYSA-N 0 0 450.539 4.287 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)c1nn(-c3ccc(OCC)cc3)ccc1=O)CCCC2 ZINC000008917594 554812842 /nfs/dbraw/zinc/81/28/42/554812842.db2.gz TUEFUWRRNARZQY-UHFFFAOYSA-N 0 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ZINC000009341540 555109191 /nfs/dbraw/zinc/10/91/91/555109191.db2.gz DULLDUGQRBZRAU-QYBDOPJKSA-N 0 0 489.572 4.397 50 0 biogenic JIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000009345362 555111436 /nfs/dbraw/zinc/11/14/36/555111436.db2.gz OUNQEVYAOAKMRK-QHCPKHFHSA-N 0 0 455.466 4.334 50 0 JIAARN COc1ccc(Cl)cc1C(=O)Nc1nnc(SCC(=O)N2CCc3ccccc32)s1 ZINC000009368230 555131161 /nfs/dbraw/zinc/13/11/61/555131161.db2.gz LZJLLONXCOIROG-UHFFFAOYSA-N 0 0 460.968 4.134 50 0 JIAARN Cn1c2ccccc2c(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c1-c1ccccc1 ZINC000009368418 555131404 /nfs/dbraw/zinc/13/14/04/555131404.db2.gz GOOLWUBZNUQBPF-MUUNZHRXSA-N 0 0 481.508 4.224 50 0 JIAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)c3oc4ccccc4c3C)C2=O)cc1 ZINC000009375878 555136409 /nfs/dbraw/zinc/13/64/09/555136409.db2.gz WDHMLASAWICXJH-UHFFFAOYSA-N 0 0 484.508 4.437 50 0 JIAARN CCOc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000009376717 555137786 /nfs/dbraw/zinc/13/77/86/555137786.db2.gz PXPGDIVZVDAAGU-UHFFFAOYSA-N 0 0 451.445 4.410 50 0 JIAARN COc1cc(C(=O)N2CCN=C2SCc2ccc(Br)cc2)cc(OC)c1OC ZINC000009381041 555143400 /nfs/dbraw/zinc/14/34/00/555143400.db2.gz ZEXZLPYXUNVAEZ-UHFFFAOYSA-N 0 0 465.369 4.220 50 0 JIAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1csc2NC(=O)c1ccc(OC)c(OC)c1 ZINC000009381400 555144152 /nfs/dbraw/zinc/14/41/52/555144152.db2.gz USMWIAUQLMYLAR-UHFFFAOYSA-N 0 0 493.541 4.202 50 0 JIAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2NC(=O)c1ccc(C)cc1 ZINC000009381478 555144389 /nfs/dbraw/zinc/14/43/89/555144389.db2.gz IUYDXILNOMDPPD-UHFFFAOYSA-N 0 0 451.479 4.324 50 0 JIAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccco3)C2)cc1 ZINC000009386450 555149182 /nfs/dbraw/zinc/14/91/82/555149182.db2.gz PXPDPTHFCFGIDL-IRLDBZIGSA-N 0 0 474.542 4.466 50 0 JIAARN CCOC(=O)CSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1Cl ZINC000009390883 555152746 /nfs/dbraw/zinc/15/27/46/555152746.db2.gz IMGKDUIKOWISFJ-UHFFFAOYSA-N 0 0 489.041 4.409 50 0 JIAARN CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000009393175 555156966 /nfs/dbraw/zinc/15/69/66/555156966.db2.gz KNIZUTVRUQYVJU-NGKHFMBDSA-N 0 0 487.647 4.139 50 0 JIAARN CC[C@H](Sc1nc2nccnc2c(=O)n1Cc1ccc(OC)cc1)C(=O)Nc1ccc(C)cc1 ZINC000009405161 555164011 /nfs/dbraw/zinc/16/40/11/555164011.db2.gz XQFAIGNOMDYEMK-FQEVSTJZSA-N 0 0 475.574 4.061 50 0 JIAARN CCOc1ccccc1N(CC)C(=O)C1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000009405542 555164689 /nfs/dbraw/zinc/16/46/89/555164689.db2.gz RBMOUTWMPBHFQR-UHFFFAOYSA-N 0 0 450.539 4.413 50 0 JIAARN Cc1ccc2c(c1)N(C(=O)N1CCC[C@H](C(=O)NCCc3ccc(Cl)cc3)C1)C[C@@H](C)O2 ZINC000009405967 555165297 /nfs/dbraw/zinc/16/52/97/555165297.db2.gz WUVWTFJQXGIHEV-QUCCMNQESA-N 0 0 455.986 4.427 50 0 JIAARN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)N2C[C@@H](C)Oc3ccc(C)cc32)C1 ZINC000009405996 555165552 /nfs/dbraw/zinc/16/55/52/555165552.db2.gz TUNWLHGQNMUNSB-TZIWHRDSSA-N 0 0 451.567 4.129 50 0 JIAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c2cc(C)ccc2O1 ZINC000009406072 555165800 /nfs/dbraw/zinc/16/58/00/555165800.db2.gz LKIPUIVCERYEEA-QFIPXVFZSA-N 0 0 495.620 4.181 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@@H]1c1cccs1 ZINC000009407064 555168264 /nfs/dbraw/zinc/16/82/64/555168264.db2.gz ACEQXUGVGQBFFQ-DQEYMECFSA-N 0 0 493.604 4.163 50 0 JIAARN COc1cccc(N2CCN(C(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@@H]3c3cccs3)CC2)c1 ZINC000009407044 555168275 /nfs/dbraw/zinc/16/82/75/555168275.db2.gz GOZPSALEEZHDKP-DNQXCXABSA-N 0 0 461.587 4.016 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)c3cc4c(s3)-c3ccccc3S(=O)(=O)C4)CC2)c1 ZINC000009407538 555168930 /nfs/dbraw/zinc/16/89/30/555168930.db2.gz OYKISKXZGMKYLC-UHFFFAOYSA-N 0 0 452.601 4.282 50 0 JIAARN COc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)ccc1OCCC(C)C ZINC000009409198 555173653 /nfs/dbraw/zinc/17/36/53/555173653.db2.gz UORXNBHDHCEUBJ-VWLOTQADSA-N 0 0 465.550 4.143 50 0 JIAARN O=C(COc1ccccc1)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000009409574 555174537 /nfs/dbraw/zinc/17/45/37/555174537.db2.gz MSXREHITPCIXSU-IBGZPJMESA-N 0 0 459.951 4.195 50 0 JIAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)N=c4[nH]c5ccccc5[nH]4)ccc23)cc1 ZINC000009409943 555175473 /nfs/dbraw/zinc/17/54/73/555175473.db2.gz MYPNLTGIFPKMNI-UHFFFAOYSA-N 0 0 455.470 4.093 50 0 biogenic JIAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000009411948 555178893 /nfs/dbraw/zinc/17/88/93/555178893.db2.gz RUGDXFIKYLDPGU-SANMLTNESA-N 0 0 493.947 4.185 50 0 JIAARN CCCCc1ccc(NC(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2C)cc1 ZINC000009413135 555179978 /nfs/dbraw/zinc/17/99/78/555179978.db2.gz NKGHCLNXISWNBD-UHFFFAOYSA-N 0 0 467.620 4.313 50 0 JIAARN COc1ccc(-c2nnc3ccc(SCC(=O)Nc4cccc(Cl)c4)nn32)cc1OC ZINC000009415409 555183074 /nfs/dbraw/zinc/18/30/74/555183074.db2.gz YRTLAJAHTSPZRG-UHFFFAOYSA-N 0 0 455.927 4.193 50 0 JIAARN COc1ccc(N(C(=O)c2c(C)onc2-c2ccccc2Cl)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000009416112 555183887 /nfs/dbraw/zinc/18/38/87/555183887.db2.gz GFQVFWFLDFRXKM-OAHLLOKOSA-N 0 0 488.949 4.278 50 0 JIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 ZINC000009427932 555193428 /nfs/dbraw/zinc/19/34/28/555193428.db2.gz RNNSLOUMUUGLOE-QGZVFWFLSA-N 0 0 480.590 4.431 50 0 JIAARN O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000009427971 555193528 /nfs/dbraw/zinc/19/35/28/555193528.db2.gz BFYBFBJZRGSEEE-BJESRGMDSA-N 0 0 473.891 4.241 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000009428055 555193663 /nfs/dbraw/zinc/19/36/63/555193663.db2.gz IREBUYHEIKTPTF-UHFFFAOYSA-N 0 0 479.551 4.468 50 0 JIAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(Cl)cc3F)cc2NC1=O ZINC000009430221 555197472 /nfs/dbraw/zinc/19/74/72/555197472.db2.gz KYPCJKLVSQUGPR-MRXNPFEDSA-N 0 0 456.948 4.104 50 0 JIAARN COc1cc(-c2noc(-c3cc4cc(Br)ccc4oc3=O)n2)cc(OC)c1OC ZINC000009431159 555199727 /nfs/dbraw/zinc/19/97/27/555199727.db2.gz XMYVDGABYSXEHD-UHFFFAOYSA-N 0 0 459.252 4.298 50 0 JIAARN COc1cc(-c2noc(-c3cc4cc(Br)cc(OC)c4oc3=O)n2)cc(OC)c1OC ZINC000009431220 555199757 /nfs/dbraw/zinc/19/97/57/555199757.db2.gz LJDFKKTYXPWPPL-UHFFFAOYSA-N 0 0 489.278 4.307 50 0 JIAARN COCCCn1c2nnc(CCCC(=O)Nc3ccc(C(C)C)cc3)n2c2ccsc2c1=O ZINC000009431360 555199987 /nfs/dbraw/zinc/19/99/87/555199987.db2.gz KTTHMJZRKWZGQU-UHFFFAOYSA-N 0 0 467.595 4.227 50 0 JIAARN CC(C)Cn1c2nnc(CCCC(=O)N[C@H](C)CCc3ccccc3)n2c2ccsc2c1=O ZINC000009431515 555200407 /nfs/dbraw/zinc/20/04/07/555200407.db2.gz HLAUFUPYPAOKPL-GOSISDBHSA-N 0 0 465.623 4.222 50 0 JIAARN CCOc1ccc(N(CC)C(=O)[C@H]2CCCN(c3nc(-c4ccc(OC)cc4)no3)C2)cc1 ZINC000009431641 555200872 /nfs/dbraw/zinc/20/08/72/555200872.db2.gz UXUMDVCYVCGRRM-IBGZPJMESA-N 0 0 450.539 4.413 50 0 JIAARN CCCN1c2ccccc2[C@]2(C1=O)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2C[C@@H]1CCCO1 ZINC000009431949 555201057 /nfs/dbraw/zinc/20/10/57/555201057.db2.gz LVCARVXENQAEJA-XDBZFTIUSA-N 0 0 472.541 4.045 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1 ZINC000009432611 555201770 /nfs/dbraw/zinc/20/17/70/555201770.db2.gz NSUKVQVWGLEUTQ-PKTZIBPZSA-N 0 0 478.570 4.491 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccc(OC)cc2)[C@@H]1c1cccs1 ZINC000009432695 555202028 /nfs/dbraw/zinc/20/20/28/555202028.db2.gz AXIXRJPMKDMBKT-GOTSBHOMSA-N 0 0 450.560 4.000 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2cc(OC)ccc2OC)[C@@H]1c1cccs1 ZINC000009432852 555202376 /nfs/dbraw/zinc/20/23/76/555202376.db2.gz SDWQSKGKNHFYNE-DQEYMECFSA-N 0 0 494.613 4.051 50 0 JIAARN CCOC(=O)C1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)CC1 ZINC000009432955 555202578 /nfs/dbraw/zinc/20/25/78/555202578.db2.gz NFDQITNRXSRHNX-PKTZIBPZSA-N 0 0 468.619 4.487 50 0 JIAARN CCOC(=O)C1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)CC1 ZINC000009432956 555202593 /nfs/dbraw/zinc/20/25/93/555202593.db2.gz NFDQITNRXSRHNX-GOTSBHOMSA-N 0 0 468.619 4.487 50 0 JIAARN O=C(NCc1ccc(F)cc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000009435606 555207110 /nfs/dbraw/zinc/20/71/10/555207110.db2.gz VVPJMKNHZDZDTF-DNVCBOLYSA-N 0 0 462.403 4.341 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC2CCCCCC2)c1 ZINC000009438553 555208219 /nfs/dbraw/zinc/20/82/19/555208219.db2.gz VXKOWWQCARTHQZ-UHFFFAOYSA-N 0 0 493.025 4.157 50 0 JIAARN O=C(COc1ncnc2sc3c(c21)CCC3)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009439095 555208918 /nfs/dbraw/zinc/20/89/18/555208918.db2.gz CEKFNNLWLXCVOU-UHFFFAOYSA-N 0 0 478.496 4.053 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1c(C)onc1-c1ccccc1 ZINC000009441865 555213031 /nfs/dbraw/zinc/21/30/31/555213031.db2.gz WAMPWSIGKOSNOV-UHFFFAOYSA-N 0 0 469.563 4.476 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cc1 ZINC000009444231 555217212 /nfs/dbraw/zinc/21/72/12/555217212.db2.gz DITDJDQODFIKRF-UHFFFAOYSA-N 0 0 497.392 4.059 50 0 JIAARN C[C@@H](OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccccc2)cc1)C(=O)c1ccccc1 ZINC000009445898 555218673 /nfs/dbraw/zinc/21/86/73/555218673.db2.gz QDOWLJGDWUAMQW-LJQANCHMSA-N 0 0 487.508 4.260 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 ZINC000009446351 555219379 /nfs/dbraw/zinc/21/93/79/555219379.db2.gz DVKFBZLCVIAKAI-UHFFFAOYSA-N 0 0 450.973 4.141 50 0 JIAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2N)c1 ZINC000009447912 555220658 /nfs/dbraw/zinc/22/06/58/555220658.db2.gz UDTSULBNBORPMQ-UHFFFAOYSA-N 0 0 453.959 4.050 50 0 JIAARN COc1ccc(S(=O)(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C2CCCCC2)cc1 ZINC000009447934 555220826 /nfs/dbraw/zinc/22/08/26/555220826.db2.gz VEOGHXVECGLMDB-UHFFFAOYSA-N 0 0 456.564 4.069 50 0 JIAARN COc1ccc(CN(C(=O)Cn2c(C)nc3ccccc3c2=O)[C@H](C)Cc2cccs2)cc1 ZINC000009448511 555221332 /nfs/dbraw/zinc/22/13/32/555221332.db2.gz XJYRWWILJPMGME-GOSISDBHSA-N 0 0 461.587 4.435 50 0 JIAARN C[C@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)c2C(N)=O)C1 ZINC000009448747 555221690 /nfs/dbraw/zinc/22/16/90/555221690.db2.gz VLXZZBBPVJSKLR-LBPRGKRZSA-N 0 0 485.610 4.435 50 0 JIAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nccnc1-c1nc2ccccc2s1 ZINC000009448727 555221706 /nfs/dbraw/zinc/22/17/06/555221706.db2.gz XTLZRHOMOXJBHG-UHFFFAOYSA-N 0 0 479.587 4.180 50 0 JIAARN Cn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCCCn2ccnc2)c2ccccc21 ZINC000009461006 555228434 /nfs/dbraw/zinc/22/84/34/555228434.db2.gz RRRLWTDUBJFWGJ-JCMHNJIXSA-N 0 0 461.953 4.006 50 0 JIAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O ZINC000009461680 555229779 /nfs/dbraw/zinc/22/97/79/555229779.db2.gz TXICDVZKIDEOBR-HHHXNRCGSA-N 0 0 456.546 4.236 50 0 JIAARN O=C(c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N1CCC[C@H]1c1cccs1 ZINC000009462914 555232274 /nfs/dbraw/zinc/23/22/74/555232274.db2.gz JGQYZSHRMMGPGO-IBGZPJMESA-N 0 0 470.572 4.297 50 0 JIAARN CCn1cnc2c1c(=O)n(CC(=O)Nc1c(C(C)C)cccc1C(C)C)c(=O)n2Cc1ccccc1 ZINC000009465181 555238850 /nfs/dbraw/zinc/23/88/50/555238850.db2.gz XULCRBPSGSEOAP-UHFFFAOYSA-N 0 0 487.604 4.313 50 0 JIAARN C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000009465773 555240556 /nfs/dbraw/zinc/24/05/56/555240556.db2.gz RFOBBGLPPDPOCI-IBGZPJMESA-N 0 0 457.530 4.322 50 0 JIAARN O=C(CSc1nc2ccccc2s1)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O ZINC000009466134 555241812 /nfs/dbraw/zinc/24/18/12/555241812.db2.gz ILMPYHAHBREHNK-BOPFTXTBSA-N 0 0 473.576 4.380 50 0 JIAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CSc1ccc(Br)cc1 ZINC000009466896 555243307 /nfs/dbraw/zinc/24/33/07/555243307.db2.gz OUKHMDLBDGNHTD-UHFFFAOYSA-N 0 0 454.415 4.361 50 0 JIAARN CCn1c(CSc2nc3cc(OC)ccc3[nH]2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009467209 555243813 /nfs/dbraw/zinc/24/38/13/555243813.db2.gz ZGLHSRMMZKKVPG-UHFFFAOYSA-N 0 0 485.635 4.408 50 0 JIAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000009467496 555244743 /nfs/dbraw/zinc/24/47/43/555244743.db2.gz NUOCNJAFXXEDPR-OAHLLOKOSA-N 0 0 455.511 4.268 50 0 JIAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009467887 555246003 /nfs/dbraw/zinc/24/60/03/555246003.db2.gz IZZFFLSNEPHAAU-KRWDZBQOSA-N 0 0 468.531 4.055 50 0 JIAARN C[C@@H](c1nnc(SCc2cc(=O)n3ccsc3n2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000009469365 555251388 /nfs/dbraw/zinc/25/13/88/555251388.db2.gz LQIAAHWEXATSGZ-HNNXBMFYSA-N 0 0 470.599 4.315 50 0 JIAARN CCn1c(SCC(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1ccco1 ZINC000009480698 555260926 /nfs/dbraw/zinc/26/09/26/555260926.db2.gz NRKRINDYDCEXAC-UHFFFAOYSA-N 0 0 487.538 4.095 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)COc1ccc3c(c1)OC1(CCCCC1)CC3=O)CC2 ZINC000009485381 555262210 /nfs/dbraw/zinc/26/22/10/555262210.db2.gz KAVFHZAGHNKDMM-UHFFFAOYSA-N 0 0 465.546 4.336 50 0 biogenic JIAARN O=c1cc(CSc2nnc(-c3c[nH]c4ccccc43)n2Cc2ccco2)nc2sccn21 ZINC000009487220 555263206 /nfs/dbraw/zinc/26/32/06/555263206.db2.gz NSQZUNOUSIOPAR-UHFFFAOYSA-N 0 0 460.544 4.429 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2cccc3ccccc32)cc1 ZINC000009490138 555265203 /nfs/dbraw/zinc/26/52/03/555265203.db2.gz KUQJQUVGRKLSSL-UHFFFAOYSA-N 0 0 471.542 4.392 50 0 JIAARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)ccc1F ZINC000009490361 555265594 /nfs/dbraw/zinc/26/55/94/555265594.db2.gz OGBJEUTYEYTPQA-IBGZPJMESA-N 0 0 497.592 4.294 50 0 JIAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc2F)cc1F ZINC000009490541 555266044 /nfs/dbraw/zinc/26/60/44/555266044.db2.gz CYVUFLQQMYUQKI-UHFFFAOYSA-N 0 0 489.519 4.176 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1 ZINC000009490935 555267353 /nfs/dbraw/zinc/26/73/53/555267353.db2.gz UFIHQRYQFXKHCS-SVEHJYQDSA-N 0 0 496.567 4.149 50 0 JIAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000009491685 555269880 /nfs/dbraw/zinc/26/98/80/555269880.db2.gz CRWFTGMTCRMQHW-UHFFFAOYSA-N 0 0 495.620 4.120 50 0 JIAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000009492313 555271909 /nfs/dbraw/zinc/27/19/09/555271909.db2.gz GHGHCUPRMQUHGG-UHFFFAOYSA-N 0 0 499.596 4.104 50 0 JIAARN NS(=O)(=O)c1ccc(CN[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1 ZINC000009492369 555272203 /nfs/dbraw/zinc/27/22/03/555272203.db2.gz WJUHOEMNLKUFHN-FQEVSTJZSA-N 0 0 497.926 4.476 50 0 JIAARN O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)N1CCN(c2ccccc2)CC1 ZINC000009492725 555273335 /nfs/dbraw/zinc/27/33/35/555273335.db2.gz DXOKZIQTXHPTMS-UHFFFAOYSA-N 0 0 484.025 4.286 50 0 JIAARN CCOC(=O)Nc1ccc2c(COC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cc(=O)oc2c1 ZINC000009493683 555276227 /nfs/dbraw/zinc/27/62/27/555276227.db2.gz FXBNHLNZJZWTCZ-UHFFFAOYSA-N 0 0 496.491 4.096 50 0 JIAARN COC(=O)C1CCN(C(=O)COC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CC1 ZINC000009493705 555276441 /nfs/dbraw/zinc/27/64/41/555276441.db2.gz WRLZPQPZOKZLDS-UHFFFAOYSA-N 0 0 484.599 4.157 50 0 JIAARN O=c1nc(CSc2nnc(NC[C@@H]3CCCO3)s2)[nH]c2sc(-c3ccccc3)cc21 ZINC000009494063 555277479 /nfs/dbraw/zinc/27/74/79/555277479.db2.gz KBNGOEJXKREKIB-ZDUSSCGKSA-N 0 0 457.606 4.386 50 0 JIAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1=O ZINC000009494432 555278410 /nfs/dbraw/zinc/27/84/10/555278410.db2.gz KIYFMHKPJHAAHE-SANMLTNESA-N 0 0 471.513 4.287 50 0 JIAARN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)NC[C@H]1CCCO1 ZINC000009495635 555280279 /nfs/dbraw/zinc/28/02/79/555280279.db2.gz BSSVGUMAVDVNEC-CQSZACIVSA-N 0 0 467.378 4.281 50 0 JIAARN CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)c2)CC1 ZINC000009498354 555282939 /nfs/dbraw/zinc/28/29/39/555282939.db2.gz KFUSCVZILBZDNE-UHFFFAOYSA-N 0 0 483.634 4.376 50 0 JIAARN Cc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000009501589 555286156 /nfs/dbraw/zinc/28/61/56/555286156.db2.gz WQJGSKLCYLKLCG-KRWDZBQOSA-N 0 0 486.815 4.006 50 0 JIAARN COc1ccc(OC)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)c(OC)c2)c1 ZINC000009507184 555291348 /nfs/dbraw/zinc/29/13/48/555291348.db2.gz BMWXASSLQFLDLE-UHFFFAOYSA-N 0 0 492.553 4.395 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CCc2c(C)nn(-c3ccccc3)c2C)ccc1C ZINC000009508585 555295092 /nfs/dbraw/zinc/29/50/92/555295092.db2.gz UHUHXMRVEIMLBP-UHFFFAOYSA-N 0 0 468.623 4.399 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)COC(=O)c1ccc(F)cc1 ZINC000009508858 555295772 /nfs/dbraw/zinc/29/57/72/555295772.db2.gz FZANWQWRKNJXOY-UHFFFAOYSA-N 0 0 484.505 4.420 50 0 JIAARN CCOC(=O)[C@]1(c2sc(N3CCOCC3)nc2-c2ccccc2)Sc2ccccc2NC1=O ZINC000009508969 555296022 /nfs/dbraw/zinc/29/60/22/555296022.db2.gz FVLPLVGSYRCTFY-XMMPIXPASA-N 0 0 481.599 4.150 50 0 JIAARN CCCCCCn1nc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2c1=O ZINC000009510076 555299087 /nfs/dbraw/zinc/29/90/87/555299087.db2.gz IQNAEUWJUSLOPQ-UHFFFAOYSA-N 0 0 465.594 4.219 50 0 JIAARN CCOc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccc(OC)cc2)cc1 ZINC000009512158 555301966 /nfs/dbraw/zinc/30/19/66/555301966.db2.gz TXQMZCCCIHTTOR-UHFFFAOYSA-N 0 0 452.580 4.446 50 0 JIAARN O=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1c[nH]c2ccccc12 ZINC000009514667 555305513 /nfs/dbraw/zinc/30/55/13/555305513.db2.gz DTTGGWXEAFKRCT-UHFFFAOYSA-N 0 0 452.463 4.148 50 0 JIAARN COc1ccc(CCN2C[C@H](C(=O)Nc3cccc(-c4csc(C)n4)c3)CC2=O)cc1OC ZINC000009516026 555307472 /nfs/dbraw/zinc/30/74/72/555307472.db2.gz MJABVJHHOIMNOD-LJQANCHMSA-N 0 0 465.575 4.165 50 0 JIAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCC[C@H]1c1nnc2ccccn21 ZINC000009516207 555307862 /nfs/dbraw/zinc/30/78/62/555307862.db2.gz OWWFTNALZBEEGM-IBGZPJMESA-N 0 0 475.574 4.410 50 0 JIAARN CCn1c(SCC(=O)N2CCNC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000009516763 555308795 /nfs/dbraw/zinc/30/87/95/555308795.db2.gz GHEQXSBTCBTMCG-UHFFFAOYSA-N 0 0 472.574 4.133 50 0 JIAARN Cc1c2cccc(F)c2oc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000009517036 555309403 /nfs/dbraw/zinc/30/94/03/555309403.db2.gz IITZRQNQPFHGBM-UHFFFAOYSA-N 0 0 466.900 4.042 50 0 JIAARN Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4c3cccc(Cl)c3C)n(C)c2=O)c1 ZINC000009519288 555315809 /nfs/dbraw/zinc/31/58/09/555315809.db2.gz XBPTVCKEPJQNSY-INIZCTEOSA-N 0 0 463.969 4.003 50 0 JIAARN CC(C)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O ZINC000009519090 555315864 /nfs/dbraw/zinc/31/58/64/555315864.db2.gz RCYIVYGRSKJTCC-GOSISDBHSA-N 0 0 459.550 4.133 50 0 JIAARN Cc1ccc(C)c(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCCCC3)c3ccccc23)c1 ZINC000009519793 555318009 /nfs/dbraw/zinc/31/80/09/555318009.db2.gz IVMJMZZTNRSMDX-UHFFFAOYSA-N 0 0 481.618 4.073 50 0 JIAARN Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCCC3)n1 ZINC000009520751 555318655 /nfs/dbraw/zinc/31/86/55/555318655.db2.gz MHKCOWOKZQBCQB-UHFFFAOYSA-N 0 0 479.890 4.236 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1cccc(C(=O)OCC(C)C)c1 ZINC000009525755 555319111 /nfs/dbraw/zinc/31/91/11/555319111.db2.gz DHVWNLJWIZNSPT-UHFFFAOYSA-N 0 0 490.940 4.062 50 0 JIAARN COc1ccc(NC(=O)Nc2cc(C(=O)NCc3ccc(C)cc3)ccc2N2CCOCC2)cc1 ZINC000009528023 555322102 /nfs/dbraw/zinc/32/21/02/555322102.db2.gz AOEOOOVDDBDNHM-UHFFFAOYSA-N 0 0 474.561 4.414 50 0 JIAARN COc1ccc(CNC(=O)c2ccc(N3CCOCC3)c(NC(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000009528003 555322140 /nfs/dbraw/zinc/32/21/40/555322140.db2.gz HNIRMLSSXUYKAE-UHFFFAOYSA-N 0 0 474.561 4.414 50 0 JIAARN Cn1ccc2cc(S(=O)(=O)N3CCC(C(=O)N4CCC(Cc5ccccc5)CC4)CC3)ccc21 ZINC000009528612 555322548 /nfs/dbraw/zinc/32/25/48/555322548.db2.gz WWKWUCYARWGMJA-UHFFFAOYSA-N 0 0 479.646 4.060 50 0 JIAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1ccc(Br)cc1F ZINC000009530263 555324918 /nfs/dbraw/zinc/32/49/18/555324918.db2.gz GAVWDVNINAXUQQ-UHFFFAOYSA-N 0 0 486.388 4.235 50 0 JIAARN CCCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)NCCc1ccc(Cl)cc1 ZINC000009530336 555325055 /nfs/dbraw/zinc/32/50/55/555325055.db2.gz PXUCGJYQVMMIPI-UHFFFAOYSA-N 0 0 466.028 4.097 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000009532999 555327943 /nfs/dbraw/zinc/32/79/43/555327943.db2.gz RGXSVRVJXQPQER-DEOSSOPVSA-N 0 0 450.560 4.078 50 0 JIAARN CN(c1ccc(OCC(=O)Nc2cccc3cccnc32)cc1)S(=O)(=O)c1cccs1 ZINC000009533433 555328145 /nfs/dbraw/zinc/32/81/45/555328145.db2.gz XRWIHEVPZSIIIX-UHFFFAOYSA-N 0 0 453.545 4.139 50 0 JIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2ncnc3c2cnn3-c2ccccc2)c1 ZINC000009534333 555328797 /nfs/dbraw/zinc/32/87/97/555328797.db2.gz XDHMMZKJPMBOPA-OAQYLSRUSA-N 0 0 475.574 4.289 50 0 JIAARN O=C(CSc1ccc2c(c1)OCCCO2)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009535028 555329270 /nfs/dbraw/zinc/32/92/70/555329270.db2.gz XTOWRYNWUPWUEA-UHFFFAOYSA-N 0 0 497.038 4.407 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)n2CC(C)C)cc1 ZINC000009539785 555331711 /nfs/dbraw/zinc/33/17/11/555331711.db2.gz ANESOTSCWAPKSE-UHFFFAOYSA-N 0 0 481.622 4.177 50 0 JIAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009539869 555332129 /nfs/dbraw/zinc/33/21/29/555332129.db2.gz UIVMAWUXUWWVHB-FQEVSTJZSA-N 0 0 469.454 4.087 50 0 JIAARN CCOC(=O)C1CCN(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000009539957 555332130 /nfs/dbraw/zinc/33/21/30/555332130.db2.gz LIGPRXHBBRJWQA-UHFFFAOYSA-N 0 0 495.963 4.151 50 0 JIAARN O=C(OCc1c(Cl)cccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000009632949 555335037 /nfs/dbraw/zinc/33/50/37/555335037.db2.gz QIBVKGBRIZURGM-UHFFFAOYSA-N 0 0 464.754 4.025 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)Cc2ccccc2)cc1 ZINC000013138384 555335517 /nfs/dbraw/zinc/33/55/17/555335517.db2.gz JCFFIYSNLGYZMJ-UHFFFAOYSA-N 0 0 482.646 4.361 50 0 JIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000009633166 555336009 /nfs/dbraw/zinc/33/60/09/555336009.db2.gz IZQLQJGRQDVCDI-UHFFFAOYSA-N 0 0 472.769 4.203 50 0 JIAARN O=C(Oc1ccccc1Br)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000013141629 555339036 /nfs/dbraw/zinc/33/90/36/555339036.db2.gz DMTBFBGFRVDYKN-IBGZPJMESA-N 0 0 450.288 4.262 50 0 JIAARN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)c1C ZINC000013141654 555339056 /nfs/dbraw/zinc/33/90/56/555339056.db2.gz ALLVDCPUQVFXLR-LBPRGKRZSA-N 0 0 474.579 4.381 50 0 JIAARN Cc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C(=O)OC(C)C)CCCC4)n2N)cc1 ZINC000013141850 555339840 /nfs/dbraw/zinc/33/98/40/555339840.db2.gz HZYGNEYRIJRUMF-UHFFFAOYSA-N 0 0 485.635 4.204 50 0 JIAARN O=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000013141866 555339960 /nfs/dbraw/zinc/33/99/60/555339960.db2.gz WWRJNXGGTMQQGK-UHFFFAOYSA-N 0 0 494.569 4.449 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)c2cc(C)n(CCOC)c2C)cc1 ZINC000009634718 555340156 /nfs/dbraw/zinc/34/01/56/555340156.db2.gz VUGULBHEIPWJTI-UHFFFAOYSA-N 0 0 470.591 4.228 50 0 JIAARN C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O ZINC000009634816 555340634 /nfs/dbraw/zinc/34/06/34/555340634.db2.gz DFZADLDWXJBZOF-NSPYISDASA-N 0 0 484.272 4.262 50 0 JIAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)Nc3cccc(C)c3)CC2=O)c(OC)c1 ZINC000009635220 555341931 /nfs/dbraw/zinc/34/19/31/555341931.db2.gz PMMHIJCTKQOSCV-SFHVURJKSA-N 0 0 473.529 4.256 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1C ZINC000013145449 555342313 /nfs/dbraw/zinc/34/23/13/555342313.db2.gz JDOCRTFFKJUBJN-UHFFFAOYSA-N 0 0 473.378 4.128 50 0 JIAARN Cc1oc2cc(OCC(=O)NC[C@@H]3CCCO3)ccc2c(=O)c1Oc1ccccc1Br ZINC000009547911 555344385 /nfs/dbraw/zinc/34/43/85/555344385.db2.gz YQBGQUGZMZIXFG-INIZCTEOSA-N 0 0 488.334 4.330 50 0 JIAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000009549065 555346585 /nfs/dbraw/zinc/34/65/85/555346585.db2.gz VOMAYUSAQMFWMZ-LLVKDONJSA-N 0 0 473.649 4.034 50 0 JIAARN O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)NC(=O)NCc1ccco1 ZINC000013147761 555347290 /nfs/dbraw/zinc/34/72/90/555347290.db2.gz ZVWNMZQKRFYDBE-UHFFFAOYSA-N 0 0 463.877 4.331 50 0 JIAARN COc1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc32)(c2ccccc2)CC1 ZINC000009549947 555348189 /nfs/dbraw/zinc/34/81/89/555348189.db2.gz FSHBHKDYGFFCAH-UHFFFAOYSA-N 0 0 476.598 4.007 50 0 JIAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(F)cc3)(c3ccccc3)CC2)c1 ZINC000009550001 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555492522 /nfs/dbraw/zinc/49/25/22/555492522.db2.gz DEXHHDSTWSGQPN-UHFFFAOYSA-N 0 0 459.612 4.304 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2cc(C)cc3oc(=O)c4c(c23)CCCC4)C(C)C)cc1 ZINC000013556268 555494004 /nfs/dbraw/zinc/49/40/04/555494004.db2.gz GBSGDXKBEMAGJT-DEOSSOPVSA-N 0 0 483.586 4.197 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@H]3CCSc4ccccc43)cc2)cc1 ZINC000009778048 555496567 /nfs/dbraw/zinc/49/65/67/555496567.db2.gz WNXSMSUEWXGJLF-QHCPKHFHSA-N 0 0 480.611 4.335 50 0 JIAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1=O ZINC000009778720 555497646 /nfs/dbraw/zinc/49/76/46/555497646.db2.gz ULCGKCCVVLWIPC-UFHPHHKVSA-N 0 0 455.558 4.334 50 0 JIAARN COc1cc([C@H]2[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)cc2C)cc(OC)c1OC ZINC000009778719 555497654 /nfs/dbraw/zinc/49/76/54/555497654.db2.gz ABXUQGHEXWZMRJ-BJKOFHAPSA-N 0 0 486.524 4.082 50 0 JIAARN Cc1ccc(N2CCN(C[C@@H](O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)cc1Cl ZINC000019831787 555505393 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CCN(CC)C(=O)[C@H]1CCCN(C(=O)/C(=C/c2c[nH]c3ccccc23)NC(=O)c2ccccc2)C1 ZINC000013579612 555518559 /nfs/dbraw/zinc/51/85/59/555518559.db2.gz QQSDWZOXOVKGLC-GPXZHFRMSA-N 0 0 472.589 4.046 50 0 JIAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000009817614 555522415 /nfs/dbraw/zinc/52/24/15/555522415.db2.gz ALSOJCZHJUCGBT-HXUWFJFHSA-N 0 0 455.605 4.448 50 0 JIAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(CCCN1CCOCC1)C3=O ZINC000019882131 555527389 /nfs/dbraw/zinc/52/73/89/555527389.db2.gz YFXUBTKKXCZVOG-JOCHJYFZSA-N 0 0 452.938 4.022 50 0 JIAARN COc1cc(OC)c(OC)cc1CN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000019889951 555529070 /nfs/dbraw/zinc/52/90/70/555529070.db2.gz PHKGTWAAJVOPQB-UHFFFAOYSA-N 0 0 460.574 4.189 50 0 JIAARN Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H](c2ccco2)N2CCOCC2)cc1 ZINC000019897857 555533552 /nfs/dbraw/zinc/53/35/52/555533552.db2.gz IOLDLDUUIPURCJ-OFVILXPXSA-N 0 0 470.525 4.313 50 0 JIAARN COC(=O)c1c(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)sc(Br)c1-c1ccccc1 ZINC000019902600 555535718 /nfs/dbraw/zinc/53/57/18/555535718.db2.gz UNFWEMVYIJFSJW-CHWSQXEVSA-N 0 0 467.385 4.012 50 0 JIAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCN(CC)CC3)c2c1 ZINC000009834735 555538960 /nfs/dbraw/zinc/53/89/60/555538960.db2.gz UUDLYGRMIQMHNW-UHFFFAOYSA-N 0 0 459.999 4.262 50 0 JIAARN Cc1cc(C)cc(N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000019925584 555540897 /nfs/dbraw/zinc/54/08/97/555540897.db2.gz YNUVPLXMFPYNDW-UHFFFAOYSA-N 0 0 491.657 4.003 50 0 JIAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000009836459 555541693 /nfs/dbraw/zinc/54/16/93/555541693.db2.gz XBXAHGYZNVPFPF-IBGZPJMESA-N 0 0 469.563 4.432 50 0 JIAARN CCOC(=O)c1ccc(-c2ccc(/C=c3/sc4nc(-c5ccccc5C)nn4c3=O)o2)cc1 ZINC000019927730 555542504 /nfs/dbraw/zinc/54/25/04/555542504.db2.gz QYCOGRJNQXEPKY-KGENOOAVSA-N 0 0 457.511 4.111 50 0 JIAARN COc1ccc(C(C)=O)cc1COC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 ZINC000009839922 555543495 /nfs/dbraw/zinc/54/34/95/555543495.db2.gz SUKITRJMEQBKFH-UHFFFAOYSA-N 0 0 453.516 4.080 50 0 JIAARN COc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000009845900 555545397 /nfs/dbraw/zinc/54/53/97/555545397.db2.gz JCLKZDODIXBWAQ-UHFFFAOYSA-N 0 0 474.966 4.187 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COCc1nc2ccccc2s1 ZINC000009846767 555546822 /nfs/dbraw/zinc/54/68/22/555546822.db2.gz AEIJTHHRSLLPIA-UHFFFAOYSA-N 0 0 489.619 4.025 50 0 JIAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2Cl)c1 ZINC000013640408 555546931 /nfs/dbraw/zinc/54/69/31/555546931.db2.gz QMVPPIREXJZKLI-UHFFFAOYSA-N 0 0 471.941 4.287 50 0 JIAARN O=S(=O)(c1ccc(NC[C@H]2CCCO2)c(NCc2cccc3ccccc32)c1)N1CCOCC1 ZINC000009847722 555549459 /nfs/dbraw/zinc/54/94/59/555549459.db2.gz YBGSZRUTNWEGMU-JOCHJYFZSA-N 0 0 481.618 4.064 50 0 JIAARN O=C(c1cc2nccc(-c3ccc4ccccc4c3)n2n1)N1CCN(C(=O)c2cccs2)CC1 ZINC000013644489 555549672 /nfs/dbraw/zinc/54/96/72/555549672.db2.gz 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50 0 JIAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccccc1OC ZINC000009856102 555556688 /nfs/dbraw/zinc/55/66/88/555556688.db2.gz WSZZSLMDGGNOLX-UHFFFAOYSA-N 0 0 456.498 4.279 50 0 JIAARN O=C(Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2ccccc21)Nc1ccccc1 ZINC000009856749 555557251 /nfs/dbraw/zinc/55/72/51/555557251.db2.gz GBUKTXYGFVDKPK-UHFFFAOYSA-N 0 0 452.919 4.126 50 0 JIAARN CCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(CC)cc3)c3ccccc3c2=O)cc1 ZINC000009857258 555558324 /nfs/dbraw/zinc/55/83/24/555558324.db2.gz LZAYHCMIHSXNFA-UHFFFAOYSA-N 0 0 490.581 4.434 50 0 JIAARN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)N(C)c4cc(Cl)ccc4OC)C3)n2)cc1 ZINC000009857786 555558949 /nfs/dbraw/zinc/55/89/49/555558949.db2.gz ZYMRCZFZYXIJTQ-MRXNPFEDSA-N 0 0 456.930 4.287 50 0 JIAARN CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)cc1 ZINC000009858303 555559920 /nfs/dbraw/zinc/55/99/20/555559920.db2.gz DAUMQLOGOIMJQX-UHFFFAOYSA-N 0 0 473.602 4.384 50 0 JIAARN COc1ccc(-n2nc3ccc(NC(=O)c4cc(Br)ccc4OC)cc3n2)cc1 ZINC000009906628 555563540 /nfs/dbraw/zinc/56/35/40/555563540.db2.gz ZFAGPEHPUMSZGW-UHFFFAOYSA-N 0 0 453.296 4.453 50 0 JIAARN CCCCn1c(=O)c2oc3ccccc3c2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O ZINC000009970007 555567445 /nfs/dbraw/zinc/56/74/45/555567445.db2.gz UAUMGWIREZQPSB-UHFFFAOYSA-N 0 0 459.424 4.367 50 0 JIAARN CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 ZINC000009972032 555571041 /nfs/dbraw/zinc/57/10/41/555571041.db2.gz WNINVICFLYISEN-UHFFFAOYSA-N 0 0 465.575 4.294 50 0 JIAARN Cc1c2ccc(NC(=O)CCCn3nnc4ccccc4c3=O)cc2oc1C(=O)c1ccccc1 ZINC000013681793 555575078 /nfs/dbraw/zinc/57/50/78/555575078.db2.gz IPSNGYROXJKSSD-UHFFFAOYSA-N 0 0 466.497 4.496 50 0 JIAARN COc1cc2c(c3oc(=O)c(CC(=O)N4CCN(c5ccc(F)cc5)CC4)c(C)c13)CCC(C)(C)O2 ZINC000013689206 555582608 /nfs/dbraw/zinc/58/26/08/555582608.db2.gz CGFMXEZTZXHJSD-UHFFFAOYSA-N 0 0 494.563 4.244 50 0 JIAARN C[C@@H](OC(=O)[C@H](C)NC(=O)c1ccccc1Cl)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009983569 555583071 /nfs/dbraw/zinc/58/30/71/555583071.db2.gz 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CS(=O)(=O)N(CCCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000020018693 555594770 /nfs/dbraw/zinc/59/47/70/555594770.db2.gz MLEDOSICKOCCTE-UHFFFAOYSA-N 0 0 491.657 4.167 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc([C@H](CC)N(C)C)n2Cc2ccccc2)c1C ZINC000010021804 555597093 /nfs/dbraw/zinc/59/70/93/555597093.db2.gz JLAWTHPUICRERI-IBGZPJMESA-N 0 0 483.638 4.436 50 0 JIAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)NC(=O)CCSc1ccccc1 ZINC000010021944 555597721 /nfs/dbraw/zinc/59/77/21/555597721.db2.gz DHOPVKALGOAJRI-UHFFFAOYSA-N 0 0 485.993 4.184 50 0 JIAARN CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)OCCOc4cccc(Cl)c4)cc3C2=O)cc1 ZINC000010021987 555597728 /nfs/dbraw/zinc/59/77/28/555597728.db2.gz YWHXXJUMKVFAJA-UHFFFAOYSA-N 0 0 478.888 4.335 50 0 JIAARN O=C([C@H]1CCCO1)N1CCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c32)CC1 ZINC000010022280 555598304 /nfs/dbraw/zinc/59/83/04/555598304.db2.gz ANYTXOVYBXNFEM-OAQYLSRUSA-N 0 0 471.586 4.248 50 0 JIAARN COc1ccc(S(=O)(=O)CCC(=O)N(Cc2ccccn2)c2nc3ccccc3s2)cc1 ZINC000010030921 555601091 /nfs/dbraw/zinc/60/10/91/555601091.db2.gz ZUYKDPGLVZNGIB-UHFFFAOYSA-N 0 0 467.572 4.097 50 0 JIAARN CC(=O)Oc1cc2oc(=O)c(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(C)c2cc1Cl ZINC000013727684 555601546 /nfs/dbraw/zinc/60/15/46/555601546.db2.gz OOVBPWOWNQKCCO-UHFFFAOYSA-N 0 0 489.355 4.225 50 0 JIAARN COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1=O ZINC000010032355 555601681 /nfs/dbraw/zinc/60/16/81/555601681.db2.gz XLIISKDBFPCMDW-RPLLCQBOSA-N 0 0 491.975 4.107 50 0 JIAARN COc1ccc(-c2coc3cc(OCC(=O)N4CCO[C@@H](c5ccccc5)C4)ccc3c2=O)cc1 ZINC000013728225 555601910 /nfs/dbraw/zinc/60/19/10/555601910.db2.gz OEKIPZPLZJRUDJ-AREMUKBSSA-N 0 0 471.509 4.448 50 0 biogenic JIAARN CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc(Br)c1OCC(=O)N(C)C ZINC000010037048 555603371 /nfs/dbraw/zinc/60/33/71/555603371.db2.gz WAJBKEWUVNFIND-JOCHJYFZSA-N 0 0 488.382 4.044 50 0 JIAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccc(N5CCOCC5)cc4)o3)cc2C1 ZINC000010037695 555603996 /nfs/dbraw/zinc/60/39/96/555603996.db2.gz CNLCLEBMGZMEJP-OAHLLOKOSA-N 0 0 470.620 4.490 50 0 JIAARN Cc1cc(OCn2ccc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)n2)cc(C)c1Cl ZINC000020028705 555604391 /nfs/dbraw/zinc/60/43/91/555604391.db2.gz UQMWEFDVCPQXSF-UHFFFAOYSA-N 0 0 456.949 4.287 50 0 JIAARN CCc1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000013751813 555609989 /nfs/dbraw/zinc/60/99/89/555609989.db2.gz FSGPFYSEOIABHK-FXAWDEMLSA-N 0 0 450.000 4.194 50 0 JIAARN CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1N1CCOCC1 ZINC000010059851 555611154 /nfs/dbraw/zinc/61/11/54/555611154.db2.gz YCQLMTYRHUPTGW-AWEZNQCLSA-N 0 0 467.349 4.413 50 0 JIAARN COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(F)c2)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000013769319 555613730 /nfs/dbraw/zinc/61/37/30/555613730.db2.gz LZGMNHGRTATRGH-SUAMDDGLSA-N 0 0 498.579 4.475 50 0 JIAARN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C ZINC000010076779 555615414 /nfs/dbraw/zinc/61/54/14/555615414.db2.gz 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472.545 4.254 50 0 JIAARN CCc1c(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1Cc1cccs1 ZINC000020572489 555824134 /nfs/dbraw/zinc/82/41/34/555824134.db2.gz LIXOUNPRKXWDHL-QHCPKHFHSA-N 0 0 475.658 4.144 50 0 JIAARN COc1cc(OC)cc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)c1 ZINC000020573815 555825595 /nfs/dbraw/zinc/82/55/95/555825595.db2.gz UNTALQHUHGWLTA-RUZDIDTESA-N 0 0 464.518 4.323 50 0 JIAARN COc1cc(OC)cc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccc(C)cc2)C3=O)c1 ZINC000020573804 555825645 /nfs/dbraw/zinc/82/56/45/555825645.db2.gz YGFGQLGYOJUPPX-SANMLTNESA-N 0 0 460.555 4.492 50 0 JIAARN CCOC(=O)c1nn(CCc2scnc2C)c2c1CN(C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000014536901 555826091 /nfs/dbraw/zinc/82/60/91/555826091.db2.gz GFINVRNUFRXISA-KRWDZBQOSA-N 0 0 496.633 4.033 50 0 JIAARN Cc1ccc(NC(=O)CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(C)cc3)C2=O)cc1 ZINC000020573921 555826183 /nfs/dbraw/zinc/82/61/83/555826183.db2.gz FHAYBNLJNRSVFA-SANMLTNESA-N 0 0 457.555 4.222 50 0 JIAARN O=C(C1CCN(c2cccc3c2C(=O)N(Cc2cccs2)C3=O)CC1)N1CCCCCC1 ZINC000011791440 555827784 /nfs/dbraw/zinc/82/77/84/555827784.db2.gz ZFUIXTDIQKWFHS-UHFFFAOYSA-N 0 0 451.592 4.163 50 0 JIAARN Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H](N1CCOc3ccc(Cl)cc3C1)C2 ZINC000014538696 555828286 /nfs/dbraw/zinc/82/82/86/555828286.db2.gz CCXVMXVGDYWPBN-JOCHJYFZSA-N 0 0 477.008 4.024 50 0 JIAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CC(=O)Nc2ccc(F)cc2F)C3=O)cc1 ZINC000020574254 555828744 /nfs/dbraw/zinc/82/87/44/555828744.db2.gz ITFZWEKTBBTBAI-RUZDIDTESA-N 0 0 479.508 4.191 50 0 JIAARN COc1cccc([C@@H](C)NC(=O)c2cn(C3CC3)cc(C(=O)NC3CCCCCC3)c2=O)c1 ZINC000011815521 555830211 /nfs/dbraw/zinc/83/02/11/555830211.db2.gz HCTWJIBWTUPNBU-QGZVFWFLSA-N 0 0 451.567 4.135 50 0 JIAARN Cc1ccccc1C[C@H](C1CCN(C(=O)C2C(C)(C)C2(C)C)CC1)N(C)C(=O)Cn1cccn1 ZINC000011815997 555830891 /nfs/dbraw/zinc/83/08/91/555830891.db2.gz GRERVBROMNZDCM-HSZRJFAPSA-N 0 0 464.654 4.182 50 0 JIAARN COc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000020576234 555831080 /nfs/dbraw/zinc/83/10/80/555831080.db2.gz WXAFJYNIYVRURX-UHFFFAOYSA-N 0 0 499.567 4.417 50 0 JIAARN CCc1ccc(N2C(=O)CS(=O)(=O)[C@]23c2ccccc2N(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000020577339 555832002 /nfs/dbraw/zinc/83/20/02/555832002.db2.gz FULCNNPIBNVPEY-VWLOTQADSA-N 0 0 480.973 4.064 50 0 JIAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3c(F)ccc(F)c3F)C2)c(OC)c1 ZINC000011842190 555834566 /nfs/dbraw/zinc/83/45/66/555834566.db2.gz IZEMYNSIVQDGOW-INIZCTEOSA-N 0 0 450.501 4.430 50 0 JIAARN Cc1cc(C)c(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c(C)c1 ZINC000011847485 555835126 /nfs/dbraw/zinc/83/51/26/555835126.db2.gz GWBWNGYPJFGCMG-HDLCADABSA-N 0 0 450.538 4.443 50 0 JIAARN CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(Br)o2)n1 ZINC000011855647 555837404 /nfs/dbraw/zinc/83/74/04/555837404.db2.gz VDYZAHZUCSPOHI-UHFFFAOYSA-N 0 0 474.340 4.415 50 0 JIAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000011858312 555837814 /nfs/dbraw/zinc/83/78/14/555837814.db2.gz FRNAOUGYUGWLPV-UHFFFAOYSA-N 0 0 464.609 4.109 50 0 JIAARN COCCN1CCN(C(=O)c2c(=O)cc(C)n3c2C[C@H](c2cccs2)Sc2ccccc2-3)CC1 ZINC000020599239 555840996 /nfs/dbraw/zinc/84/09/96/555840996.db2.gz HWPRIEMBGOPSEB-XMMPIXPASA-N 0 0 495.670 4.001 50 0 JIAARN COc1ccc(-c2cc3ccc(OS(=O)(=O)c4ccc(F)cc4)cc3oc2=O)cc1OC ZINC000011866234 555841402 /nfs/dbraw/zinc/84/14/02/555841402.db2.gz HGXDDQKBAATVFM-UHFFFAOYSA-N 0 0 456.447 4.384 50 0 JIAARN COc1ccc(COc2ccc3c(C)c(CC(=O)N4CC[C@]5(O)CCCC[C@H]5C4)c(=O)oc3c2)cc1 ZINC000011867105 555843982 /nfs/dbraw/zinc/84/39/82/555843982.db2.gz AKZQULGYZCMNOE-KCWXNJEJSA-N 0 0 491.584 4.385 50 0 biogenic JIAARN COc1ccc(COc2ccc3c(C)c(CC(=O)N4CC[C@@]5(O)CCCC[C@@H]5C4)c(=O)oc3c2)cc1 ZINC000011867104 555844006 /nfs/dbraw/zinc/84/40/06/555844006.db2.gz AKZQULGYZCMNOE-PBBNMVCDSA-N 0 0 491.584 4.385 50 0 biogenic JIAARN CCCC[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000011867334 555844216 /nfs/dbraw/zinc/84/42/16/555844216.db2.gz NNYGXAAMUGIMTC-QHWMMSMNSA-N 0 0 453.579 4.373 50 0 JIAARN CCOc1ccc2oc(C(=O)OCC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c(C)c2c1 ZINC000011869707 555845916 /nfs/dbraw/zinc/84/59/16/555845916.db2.gz INYVTKHTEWPLMD-UHFFFAOYSA-N 0 0 464.518 4.174 50 0 JIAARN Cc1cc(C)n(Cc2ccc(C(=O)N3CCC4(C[C@@H]4C(=O)Nc4ccc5c(c4)OCO5)CC3)cc2)n1 ZINC000011871646 555847149 /nfs/dbraw/zinc/84/71/49/555847149.db2.gz KZHXSBCENWPEQA-HSZRJFAPSA-N 0 0 486.572 4.158 50 0 JIAARN Cc1ccc2nc(N3CCC(C(=O)N4CCC([C@@H](O)Cc5ccccc5)CC4)CC3)nc(C)c2c1 ZINC000011872464 555847599 /nfs/dbraw/zinc/84/75/99/555847599.db2.gz VPIZEADIGAMWDE-MHZLTWQESA-N 0 0 472.633 4.305 50 0 JIAARN O=C(c1cccs1)N1CCC[C@H](COc2ccc(CN3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020775325 555847707 /nfs/dbraw/zinc/84/77/07/555847707.db2.gz STMGHSKUGRYBRM-VWLOTQADSA-N 0 0 490.673 4.392 50 0 JIAARN COc1cccc(CCNC(=O)[C@@H]2CC23CCN(C(=O)c2csc(-c4cccs4)n2)CC3)c1 ZINC000011880794 555849001 /nfs/dbraw/zinc/84/90/01/555849001.db2.gz LOWADLUJRCTEJN-IBGZPJMESA-N 0 0 481.643 4.481 50 0 JIAARN CSc1nccc(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)[C@@H](c2cccnc2)N2CCCC2)C3)n1 ZINC000015004808 555849425 /nfs/dbraw/zinc/84/94/25/555849425.db2.gz HIFQDWKLOLHJDG-DENIHFKCSA-N 0 0 496.036 4.171 50 0 JIAARN COCCCN1C(=O)C[C@](CC(=O)N2CCC[C@H]2c2ccc(F)cc2)(c2ccccc2Cl)C1=O ZINC000011881596 555849964 /nfs/dbraw/zinc/84/99/64/555849964.db2.gz WAPSDHZRXHPLNU-BKMJKUGQSA-N 0 0 486.971 4.266 50 0 JIAARN Cc1noc(C)c1CC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2ccccc2F)n1C ZINC000015005741 555850120 /nfs/dbraw/zinc/85/01/20/555850120.db2.gz OVDCRQIMBCROEE-QFIPXVFZSA-N 0 0 479.581 4.494 50 0 JIAARN Cc1ccc(C2=NN(C(=O)COC(=O)C3CCN(C(=O)C(C)(C)C)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000021511544 555850927 /nfs/dbraw/zinc/85/09/27/555850927.db2.gz XJUMQVUZBXICOE-JOCHJYFZSA-N 0 0 479.577 4.094 50 0 JIAARN COc1cc(/C=c2\sc3nnc(-c4ccccc4C)n3c2=O)ccc1OCc1ccccc1 ZINC000015015205 555855776 /nfs/dbraw/zinc/85/57/76/555855776.db2.gz SFEGMHJPCBDCTO-HAHDFKILSA-N 0 0 455.539 4.262 50 0 JIAARN CCC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(OC)c(Cl)c3)N2C1=O ZINC000021643743 555855914 /nfs/dbraw/zinc/85/59/14/555855914.db2.gz MCBVIGJJKUPCKO-KRWDZBQOSA-N 0 0 456.955 4.479 50 0 JIAARN COCC(=O)Nc1cc2nc(-c3ccncc3)n(C)c2c(C(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000011909303 555856265 /nfs/dbraw/zinc/85/62/65/555856265.db2.gz NAZYDFFADDOUAI-OAHLLOKOSA-N 0 0 477.952 4.365 50 0 JIAARN COc1ccccc1[C@H]([C@@H](O)C(=O)c1c[nH]c2ccccc12)N1CCN(c2ccccc2)CC1 ZINC000015017545 555858799 /nfs/dbraw/zinc/85/87/99/555858799.db2.gz ZBJYRCMMFYEABF-IXCJQBJRSA-N 0 0 455.558 4.284 50 0 JIAARN O=C(C[C@@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000011911172 555858964 /nfs/dbraw/zinc/85/89/64/555858964.db2.gz YTIVDVSMAZNANJ-WINIVTDRSA-N 0 0 466.528 4.310 50 0 JIAARN CC(=O)Nc1cc2nc(C)n(Cc3ccccc3)c2c(C(=O)NC[C@@H]2OCCc3ccccc32)c1 ZINC000011911782 555859987 /nfs/dbraw/zinc/85/99/87/555859987.db2.gz DGRRAMXXQCFBID-SANMLTNESA-N 0 0 468.557 4.395 50 0 JIAARN COc1ccc(/C=C/C(=O)NCc2nnc(SCc3ccncc3)n2-c2ccc(F)cc2)cc1 ZINC000011912841 555862056 /nfs/dbraw/zinc/86/20/56/555862056.db2.gz QZUITCGVKWDBIM-NYYWCZLTSA-N 0 0 475.549 4.432 50 0 JIAARN CCn1cc(C(=O)CSc2nnc(CN(c3ccccc3)S(C)(=O)=O)n2CC)c2ccccc21 ZINC000015019847 555863396 /nfs/dbraw/zinc/86/33/96/555863396.db2.gz GSURFUWAXFFWDN-UHFFFAOYSA-N 0 0 497.646 4.214 50 0 JIAARN C[C@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022024306 555863518 /nfs/dbraw/zinc/86/35/18/555863518.db2.gz CKLHEDZTROIAIP-INIZCTEOSA-N 0 0 460.525 4.474 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c1 ZINC000022024512 555863684 /nfs/dbraw/zinc/86/36/84/555863684.db2.gz AKQDMERZEKAUIZ-UHFFFAOYSA-N 0 0 456.520 4.138 50 0 JIAARN COCc1cc(C)nc2c1C(=O)N[C@H](c1cc3c(cc1Br)OCO3)N2Cc1ccccc1 ZINC000015022867 555864252 /nfs/dbraw/zinc/86/42/52/555864252.db2.gz SAHAJEODXVZHAZ-QFIPXVFZSA-N 0 0 496.361 4.476 50 0 JIAARN Cc1ccc(C(C)C)c(OCC(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000011914055 555864318 /nfs/dbraw/zinc/86/43/18/555864318.db2.gz OHVKVGCPXZDVFE-MRXNPFEDSA-N 0 0 484.412 4.069 50 0 JIAARN CC(C)(C)c1ccc(C(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011914019 555864332 /nfs/dbraw/zinc/86/43/32/555864332.db2.gz VQZVBTLNBNCLLR-MRXNPFEDSA-N 0 0 454.386 4.169 50 0 JIAARN Cc1ccccc1NC(=O)c1nc(S(C)(=O)=O)ncc1N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000011914221 555864687 /nfs/dbraw/zinc/86/46/87/555864687.db2.gz YJDVUNFKNNHTNX-UHFFFAOYSA-N 0 0 494.548 4.380 50 0 JIAARN CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)ccc1Cl ZINC000015033520 555865397 /nfs/dbraw/zinc/86/53/97/555865397.db2.gz GUPUDQALXKWXSL-QHCPKHFHSA-N 0 0 490.050 4.238 50 0 JIAARN O=C(/C=C/c1cccs1)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000015063341 555866731 /nfs/dbraw/zinc/86/67/31/555866731.db2.gz LJVUMWFSWGRVKN-BWSGXRDBSA-N 0 0 451.636 4.125 50 0 JIAARN Cc1cccc(C[C@@H](C)NC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)n1 ZINC000015066700 555867086 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Cc1cc(C)c(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc4ccccc4c2)CC3)c(C)c1 ZINC000012342394 555955201 /nfs/dbraw/zinc/95/52/01/555955201.db2.gz YFECEUNFTOLZJU-UHFFFAOYSA-N 0 0 478.614 4.418 50 0 JIAARN COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000012344820 555955979 /nfs/dbraw/zinc/95/59/79/555955979.db2.gz IXZWDFHRFJLXOT-QHCPKHFHSA-N 0 0 467.522 4.168 50 0 JIAARN COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)CCS(=O)(=O)c3ccc(C)cc3)nc21 ZINC000012345244 555956236 /nfs/dbraw/zinc/95/62/36/555956236.db2.gz QAGZXZRSBWCMAK-UHFFFAOYSA-N 0 0 496.054 4.025 50 0 JIAARN CCOc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000022847086 555956493 /nfs/dbraw/zinc/95/64/93/555956493.db2.gz XSLNHCGNOYUGIZ-UHFFFAOYSA-N 0 0 460.571 4.459 50 0 JIAARN O=C(c1nc2sccn2c1CN1CCN(Cc2ccccc2)CC1)N1CCCCCCC1 ZINC000022851298 555957210 /nfs/dbraw/zinc/95/72/10/555957210.db2.gz BTLMPWZAFDDSPW-UHFFFAOYSA-N 0 0 451.640 4.120 50 0 JIAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)C1CCCCC1 ZINC000022851560 555957878 /nfs/dbraw/zinc/95/78/78/555957878.db2.gz JTMPJHAUIOGZOI-QHCPKHFHSA-N 0 0 453.558 4.114 50 0 JIAARN CCOC(=O)C1CC[NH+]([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)CC1 ZINC000022851755 555958518 /nfs/dbraw/zinc/95/85/18/555958518.db2.gz GSHADIRIODMMQD-SFHVURJKSA-N 0 0 452.536 4.121 50 0 JIAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCCC3)cc2s1)NC1CC1 ZINC000012375379 555962556 /nfs/dbraw/zinc/96/25/56/555962556.db2.gz YEXGQFFTIIAOHO-UHFFFAOYSA-N 0 0 480.615 4.155 50 0 JIAARN COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)Nc4cccc(Cl)c4)C3)n2)cc1OC ZINC000015726046 555962994 /nfs/dbraw/zinc/96/29/94/555962994.db2.gz FJQSNYITHNACME-MRXNPFEDSA-N 0 0 456.930 4.258 50 0 JIAARN COc1ccc(-c2noc(CN3CCC[C@H](C(=O)NCCc4ccc(SC)cc4)C3)n2)cc1OC ZINC000015726221 555963881 /nfs/dbraw/zinc/96/38/81/555963881.db2.gz FBKPLESTORTYKF-FQEVSTJZSA-N 0 0 496.633 4.047 50 0 JIAARN COc1ccc(-c2noc(CN3CCC[C@H](C(=O)Nc4ccc(C)cc4C)C3)n2)cc1OC ZINC000015726287 555964339 /nfs/dbraw/zinc/96/43/39/555964339.db2.gz WBANBMILUYRHQP-IBGZPJMESA-N 0 0 450.539 4.221 50 0 JIAARN COc1ccc(-c2noc(CN3CCC(C(=O)N(C)c4cccc(Cl)c4)CC3)n2)cc1OC ZINC000015726356 555964418 /nfs/dbraw/zinc/96/44/18/555964418.db2.gz JTRKSNAMQODCEG-UHFFFAOYSA-N 0 0 470.957 4.282 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000012378024 555966743 /nfs/dbraw/zinc/96/67/43/555966743.db2.gz SRYQFRWLLITXMF-YJADQXIJSA-N 0 0 464.562 4.061 50 0 JIAARN C[C@@H](NC(=O)[C@H](C)N1CCN(Cc2ccc(Br)s2)CC1)c1ccc(F)cc1 ZINC000022912025 555967488 /nfs/dbraw/zinc/96/74/88/555967488.db2.gz OPICUQDXMMTZFM-CABCVRRESA-N 0 0 454.409 4.033 50 0 JIAARN O=C(CCN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)Nc1ccc(Cl)cc1F ZINC000022917175 555970719 /nfs/dbraw/zinc/97/07/19/555970719.db2.gz YHWQVHMEUGYIQK-UHFFFAOYSA-N 0 0 486.897 4.083 50 0 JIAARN COc1ccc(N(Cc2cc(CN3CCOCC3)cs2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000015730223 555971885 /nfs/dbraw/zinc/97/18/85/555971885.db2.gz YHWQHRCGFGSNDT-UHFFFAOYSA-N 0 0 472.632 4.293 50 0 JIAARN O=S(=O)(c1cccc(F)c1)N(Cc1cc(CN2CCOCC2)cs1)c1cccc(F)c1 ZINC000015730259 555972276 /nfs/dbraw/zinc/97/22/76/555972276.db2.gz HPBFTBHOXUKMAJ-UHFFFAOYSA-N 0 0 464.559 4.254 50 0 JIAARN COC(=O)[C@@H](CC(=O)c1ccc(OC)c(OC)c1)c1cc(=O)oc2cc(OC)c(Cl)cc21 ZINC000012390934 555974167 /nfs/dbraw/zinc/97/41/67/555974167.db2.gz KISORVIWKJIYHD-HNNXBMFYSA-N 0 0 460.866 4.002 50 0 JIAARN CCCc1nn2c(nc(CSc3ccccc3NC(=O)COc3ccccc3)cc2=O)s1 ZINC000015732012 555975621 /nfs/dbraw/zinc/97/56/21/555975621.db2.gz XGWQPQPCFMLSKJ-UHFFFAOYSA-N 0 0 466.588 4.413 50 0 JIAARN COc1cc(Br)cc2cc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)c(=O)oc21 ZINC000012401882 555976028 /nfs/dbraw/zinc/97/60/28/555976028.db2.gz BEMDDOOHBKGAGS-CYBMUJFWSA-N 0 0 468.307 4.241 50 0 JIAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(Cc3ccccc3)CC1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000015733754 555979501 /nfs/dbraw/zinc/97/95/01/555979501.db2.gz RTYDJMJBFRDARE-UHFFFAOYSA-N 0 0 465.619 4.138 50 0 JIAARN CCOc1ccc(CNC(=O)CCCN2c3c(C)nn(-c4ccccc4)c3SCC2=O)cc1OC ZINC000015735141 555981170 /nfs/dbraw/zinc/98/11/70/555981170.db2.gz GRUBQGQRUZOPBP-UHFFFAOYSA-N 0 0 494.617 4.123 50 0 JIAARN CCCCOC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)OCC)C(Cl)(Cl)Cl)cc1 ZINC000015746589 555984661 /nfs/dbraw/zinc/98/46/61/555984661.db2.gz FYECSWWWZGWJLW-AWEZNQCLSA-N 0 0 470.806 4.372 50 0 JIAARN CC(C)c1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3ccc(F)cc3)cc2=O)s1 ZINC000015771567 555989949 /nfs/dbraw/zinc/98/99/49/555989949.db2.gz CMKMAUABUPICAY-UHFFFAOYSA-N 0 0 466.494 4.023 50 0 JIAARN CCCCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3cccc(F)c3)cc2=O)s1 ZINC000015771966 555991139 /nfs/dbraw/zinc/99/11/39/555991139.db2.gz NSPLGPZULUDPDV-UHFFFAOYSA-N 0 0 480.521 4.242 50 0 JIAARN CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccco1 ZINC000012526396 555994712 /nfs/dbraw/zinc/99/47/12/555994712.db2.gz NRSUJRVPANADNJ-IBGZPJMESA-N 0 0 481.496 4.132 50 0 JIAARN O=C(C[C@H]1Oc2ccccc2NC1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000022991066 555995977 /nfs/dbraw/zinc/99/59/77/555995977.db2.gz NEIUDBJZHDZUTN-XMMPIXPASA-N 0 0 452.514 4.004 50 0 JIAARN COc1ccc(OC)c2sc(N(CCCN3CCOCC3)C(=O)c3nc4ccccc4s3)nc21 ZINC000022997842 555997646 /nfs/dbraw/zinc/99/76/46/555997646.db2.gz HAXVVBLRHKSVQD-UHFFFAOYSA-N 0 0 498.630 4.292 50 0 JIAARN Brc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)s1 ZINC000015779241 555997773 /nfs/dbraw/zinc/99/77/73/555997773.db2.gz UETQHYHSYDPOJL-UHFFFAOYSA-N 0 0 459.369 4.374 50 0 JIAARN CCNC(=O)NC(=O)[C@H](C)Sc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000012529027 555998229 /nfs/dbraw/zinc/99/82/29/555998229.db2.gz NLTFCTYZXGGBNH-ZDUSSCGKSA-N 0 0 450.486 4.430 50 0 JIAARN COc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(Br)s3)sc2c1 ZINC000022998434 555998559 /nfs/dbraw/zinc/99/85/59/555998559.db2.gz ARJAYVOGRKODOX-UHFFFAOYSA-N 0 0 482.425 4.108 50 0 JIAARN CCOc1ccc(-c2cc3c(N4CCC(C(=O)NCc5ccc(OC)cc5)CC4)nccn3n2)cc1 ZINC000015780500 555999012 /nfs/dbraw/zinc/99/90/12/555999012.db2.gz ZMIHSBNRZBQQTM-UHFFFAOYSA-N 0 0 485.588 4.336 50 0 JIAARN CCC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3ccc(Br)c(C)c3)cc12 ZINC000015780235 555999019 /nfs/dbraw/zinc/99/90/19/555999019.db2.gz RHQWQMCFQLUHEJ-UHFFFAOYSA-N 0 0 459.296 4.273 50 0 JIAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)COc2ccc(Cl)cc2)c2cccs2)cc1 ZINC000015780769 555999509 /nfs/dbraw/zinc/99/95/09/555999509.db2.gz DUSWPMXYGWCDNS-HXUWFJFHSA-N 0 0 465.980 4.120 50 0 JIAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cc(Cl)ccc2OC)c2cccs2)cc1 ZINC000015780805 555999513 /nfs/dbraw/zinc/99/95/13/555999513.db2.gz QTOIGFVDCDBRGR-HXUWFJFHSA-N 0 0 465.980 4.364 50 0 JIAARN COc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1S(=O)(=O)NC(C)C ZINC000023011545 555999904 /nfs/dbraw/zinc/99/99/04/555999904.db2.gz MUBAMMIDXSCFQV-UHFFFAOYSA-N 0 0 482.562 4.278 50 0 JIAARN CCOc1ccc(/C=C/C(=O)N(CCOC)CC(=O)Nc2cccc(C)c2C)cc1OCC ZINC000023039967 556000996 /nfs/dbraw/zinc/00/09/96/556000996.db2.gz KNHIPYKTEPOVAA-WYMLVPIESA-N 0 0 454.567 4.228 50 0 JIAARN COc1ccccc1NC(=O)CSC1=Nc2ccccc2C2=N[C@H](c3ccccc3)C(=O)N21 ZINC000015783479 556001632 /nfs/dbraw/zinc/00/16/32/556001632.db2.gz ZVQKPFANJJFWDF-JOCHJYFZSA-N 0 0 456.527 4.398 50 0 JIAARN C[C@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000012531833 556001755 /nfs/dbraw/zinc/00/17/55/556001755.db2.gz NRWVOPZKBPWZOM-SFHVURJKSA-N 0 0 458.591 4.359 50 0 JIAARN COc1cccc(CNC(=O)CSC2=Nc3ccccc3C3=N[C@H](c4ccccc4)C(=O)N32)c1 ZINC000015783506 556001897 /nfs/dbraw/zinc/00/18/97/556001897.db2.gz RBVTWHGEFBFNGQ-HSZRJFAPSA-N 0 0 470.554 4.076 50 0 JIAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000023043346 556002029 /nfs/dbraw/zinc/00/20/29/556002029.db2.gz DRMQNGCXBSRPPH-CUNXSJBXSA-N 0 0 469.566 4.260 50 0 JIAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)nc3ccccc3c2=O)cc1Cl ZINC000023043146 556002050 /nfs/dbraw/zinc/00/20/50/556002050.db2.gz BSQOVSWQDTUEAY-UHFFFAOYSA-N 0 0 491.960 4.248 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnnn2-c2cccc(C)c2)cc1 ZINC000012532248 556002358 /nfs/dbraw/zinc/00/23/58/556002358.db2.gz FSYUEHNWFFDCLM-DEOSSOPVSA-N 0 0 484.585 4.449 50 0 JIAARN COc1ccc(CCC(=O)Nc2ccnn2Cc2cccc(OC)c2OC)cc1Br ZINC000023053934 556002938 /nfs/dbraw/zinc/00/29/38/556002938.db2.gz BXMUNKJEFIMBDK-UHFFFAOYSA-N 0 0 474.355 4.291 50 0 JIAARN Cc1nc(COc2ccccc2C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)no1 ZINC000023076218 556005270 /nfs/dbraw/zinc/00/52/70/556005270.db2.gz BMRMDMCAMRVNBP-UHFFFAOYSA-N 0 0 478.530 4.034 50 0 JIAARN COc1ccc([C@H](CNc2nc(-c3cccnc3)nc3ccccc32)N2CCOCC2)cc1OC ZINC000023078365 556005826 /nfs/dbraw/zinc/00/58/26/556005826.db2.gz CHVIUTGAPMXYNU-QHCPKHFHSA-N 0 0 471.561 4.194 50 0 JIAARN COc1ccc([C@@H](CNc2nc(-c3cccnc3)nc3ccccc32)N2CCOCC2)cc1OC ZINC000023078363 556005889 /nfs/dbraw/zinc/00/58/89/556005889.db2.gz CHVIUTGAPMXYNU-HSZRJFAPSA-N 0 0 471.561 4.194 50 0 JIAARN COc1ccc([C@H](CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)N2CCOCC2)cc1 ZINC000012534254 556006455 /nfs/dbraw/zinc/00/64/55/556006455.db2.gz KQCGXYUYZQOUHS-MHZLTWQESA-N 0 0 468.557 4.109 50 0 JIAARN Cc1nc(SCC(=O)Nc2ccc(I)cc2C)n(C[C@@H]2CCCO2)c1C ZINC000012535280 556007878 /nfs/dbraw/zinc/00/78/78/556007878.db2.gz KUJQGJCWTSOTRM-INIZCTEOSA-N 0 0 485.391 4.323 50 0 JIAARN CCc1cccc(C)c1NC(=O)Cn1nc(-c2ccco2)c2sc(N3CCCC3)nc2c1=O ZINC000023109045 556010024 /nfs/dbraw/zinc/01/00/24/556010024.db2.gz NBSGVUPYUZRVJG-UHFFFAOYSA-N 0 0 463.563 4.223 50 0 JIAARN C/C=C/c1ccc(OC[C@@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1 ZINC000023115547 556011978 /nfs/dbraw/zinc/01/19/78/556011978.db2.gz KJLPFHSOEXYUTB-GUWAZMKPSA-N 0 0 450.501 4.309 50 0 JIAARN COc1ccc(S(=O)(=O)NCCc2sc3nc(-c4ccc(Cl)cc4)nn3c2C)cc1F ZINC000015823610 556012337 /nfs/dbraw/zinc/01/23/37/556012337.db2.gz JSHZPDMIYKBQTP-UHFFFAOYSA-N 0 0 480.974 4.088 50 0 JIAARN COC(=O)c1ccc(OC)c(CN2c3ccccc3S(=O)(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000015826905 556014167 /nfs/dbraw/zinc/01/41/67/556014167.db2.gz DTWWIUSFIFXOGD-UHFFFAOYSA-N 0 0 466.515 4.126 50 0 JIAARN CCc1cccc(N2C(=O)N(CC(=O)NCc3ccc(C)cc3)c3ccccc3S2(=O)=O)c1 ZINC000015827252 556014479 /nfs/dbraw/zinc/01/44/79/556014479.db2.gz CILVHNOTOGJURS-UHFFFAOYSA-N 0 0 463.559 4.009 50 0 JIAARN COc1ccc(C)cc1-n1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nnc1-c1cccs1 ZINC000012544246 556020356 /nfs/dbraw/zinc/02/03/56/556020356.db2.gz TZCIEHZPIQIVBY-CVEARBPZSA-N 0 0 458.609 4.089 50 0 JIAARN Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000012544382 556020416 /nfs/dbraw/zinc/02/04/16/556020416.db2.gz WYJLFAVZKXECQO-JOCHJYFZSA-N 0 0 495.670 4.426 50 0 JIAARN O=C(Cn1nc2c(c1NC(=O)c1ccc(C(F)(F)F)cc1)CSC2)NCc1ccc(F)cc1 ZINC000023139595 556021283 /nfs/dbraw/zinc/02/12/83/556021283.db2.gz YJDCZJLVRPMGSU-UHFFFAOYSA-N 0 0 478.471 4.357 50 0 JIAARN CC[C@]1(C)Cc2ccccc2-c2nc3n(CC(=O)Nc4ccccc4)nc(SC)n3c(=O)c21 ZINC000015839169 556022364 /nfs/dbraw/zinc/02/23/64/556022364.db2.gz UWHNVZJLLIRGNC-RUZDIDTESA-N 0 0 459.575 4.142 50 0 JIAARN O=C(CCc1nc(-c2ccncc2)no1)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000023150379 556023719 /nfs/dbraw/zinc/02/37/19/556023719.db2.gz YKZSQZXFOHTZKG-UHFFFAOYSA-N 0 0 483.937 4.157 50 0 JIAARN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(OCC)c(OC)cc1Br ZINC000015857105 556024624 /nfs/dbraw/zinc/02/46/24/556024624.db2.gz IOLBULKGAWKCNC-HXUWFJFHSA-N 0 0 475.339 4.185 50 0 JIAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000012547930 556025119 /nfs/dbraw/zinc/02/51/19/556025119.db2.gz PXAZWXJZDNPLLD-UHFFFAOYSA-N 0 0 461.469 4.140 50 0 JIAARN CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)C1=O ZINC000015858687 556025746 /nfs/dbraw/zinc/02/57/46/556025746.db2.gz VYXQIQMZJIJVBB-UHFFFAOYSA-N 0 0 460.861 4.314 50 0 JIAARN Cc1ccc2nc(COc3ccc(C(=O)N[C@H](CN4CCOCC4)c4ccccc4)cc3)cn2c1 ZINC000023174975 556026814 /nfs/dbraw/zinc/02/68/14/556026814.db2.gz KCGKXMTULCYRDM-AREMUKBSSA-N 0 0 470.573 4.025 50 0 JIAARN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000023181983 556028264 /nfs/dbraw/zinc/02/82/64/556028264.db2.gz GXTNSQOJNGOIDL-UZUQRXQVSA-N 0 0 477.602 4.257 50 0 JIAARN C[C@@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)C(=O)c1ccc2c(c1)CCC2 ZINC000012549761 556030030 /nfs/dbraw/zinc/03/00/30/556030030.db2.gz ONVYVVFCLRFJRZ-MRXNPFEDSA-N 0 0 452.555 4.095 50 0 JIAARN CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1SCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000023200391 556031040 /nfs/dbraw/zinc/03/10/40/556031040.db2.gz JLAYGEYEMBJZDZ-LJQANCHMSA-N 0 0 457.983 4.438 50 0 JIAARN COc1ccc(C2=NN(C(=O)CSc3nnc(-c4cccnc4)o3)[C@H](c3ccco3)C2)cc1 ZINC000012550327 556031460 /nfs/dbraw/zinc/03/14/60/556031460.db2.gz ZDUMWDZAMNXZDL-IBGZPJMESA-N 0 0 461.503 4.203 50 0 JIAARN O=C(CSC1=NC(c2ccccc2)=NCN1c1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000015860596 556031833 /nfs/dbraw/zinc/03/18/33/556031833.db2.gz WTEWHCWUBJDFIV-UHFFFAOYSA-N 0 0 458.543 4.045 50 0 JIAARN Cc1nn(C)c2nc(C)c(CCC(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c(C)c12 ZINC000023239149 556033378 /nfs/dbraw/zinc/03/33/78/556033378.db2.gz OFPNVZWKIOHCBI-UHFFFAOYSA-N 0 0 494.949 4.242 50 0 JIAARN CSc1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)nn(C)c2C)c1 ZINC000015861078 556033521 /nfs/dbraw/zinc/03/35/21/556033521.db2.gz OOLWNBZDSIIBLT-UHFFFAOYSA-N 0 0 472.636 4.210 50 0 JIAARN CCn1c(C)cc(C(=O)CN2CCN(Cc3nc4scc(-c5cccs5)c4c(=O)[nH]3)CC2)c1C ZINC000023248519 556034379 /nfs/dbraw/zinc/03/43/79/556034379.db2.gz VUACCRQRXJHMLL-UHFFFAOYSA-N 0 0 495.674 4.152 50 0 JIAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000012552117 556034651 /nfs/dbraw/zinc/03/46/51/556034651.db2.gz BMTRWNYLAMKMDR-UHFFFAOYSA-N 0 0 491.491 4.217 50 0 JIAARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=S)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000012552185 556035033 /nfs/dbraw/zinc/03/50/33/556035033.db2.gz JSIASWMIQYQKGD-OAQYLSRUSA-N 0 0 456.564 4.212 50 0 JIAARN Cc1c(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000015862959 556036478 /nfs/dbraw/zinc/03/64/78/556036478.db2.gz OHVVZIJQFHFDSL-UHFFFAOYSA-N 0 0 466.582 4.439 50 0 JIAARN COc1ccc(C(=O)C2CCN(C(=O)[C@H](NC(=O)OCc3ccccc3)C(C)C)CC2)cc1 ZINC000012553081 556036535 /nfs/dbraw/zinc/03/65/35/556036535.db2.gz XOZHREQZWVIALE-HSZRJFAPSA-N 0 0 452.551 4.068 50 0 JIAARN CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000012554388 556038662 /nfs/dbraw/zinc/03/86/62/556038662.db2.gz UEFQGRLJVAYOMN-UHFFFAOYSA-N 0 0 457.987 4.009 50 0 JIAARN CC(C)CN(Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012555170 556040406 /nfs/dbraw/zinc/04/04/06/556040406.db2.gz FAWDSBMEWRMEQU-NRFANRHFSA-N 0 0 474.627 4.312 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)NCCc2cn3ccccc3n2)cc1 ZINC000023320155 556040794 /nfs/dbraw/zinc/04/07/94/556040794.db2.gz RRPNDQZOBMJQTO-SANMLTNESA-N 0 0 495.583 4.160 50 0 JIAARN COc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)c(OC)c1 ZINC000015865465 556041568 /nfs/dbraw/zinc/04/15/68/556041568.db2.gz DRKDMEDPEZLKMF-UHFFFAOYSA-N 0 0 460.490 4.243 50 0 JIAARN COc1cc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)cc(OC)c1 ZINC000015865466 556041599 /nfs/dbraw/zinc/04/15/99/556041599.db2.gz ODFNFBYRXCALSP-UHFFFAOYSA-N 0 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CSc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3C)C2)c1 ZINC000015866180 556043614 /nfs/dbraw/zinc/04/36/14/556043614.db2.gz HFPRKVHIWOPPKP-SFHVURJKSA-N 0 0 486.619 4.115 50 0 JIAARN CC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000015868426 556045346 /nfs/dbraw/zinc/04/53/46/556045346.db2.gz NJCLAMITUATDLA-XOBRGWDASA-N 0 0 498.432 4.314 50 0 JIAARN Cc1ccccc1-n1cnnc1SCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000012558000 556046741 /nfs/dbraw/zinc/04/67/41/556046741.db2.gz FZMGAQZFHQREJU-OAQYLSRUSA-N 0 0 456.015 4.275 50 0 JIAARN Cn1nc(Br)nc1Sc1ccccc1NC(=O)c1ccc(Br)o1 ZINC000015869094 556047848 /nfs/dbraw/zinc/04/78/48/556047848.db2.gz LTPNZFDXYOZKAF-UHFFFAOYSA-N 0 0 458.135 4.337 50 0 JIAARN CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCCCCC1 ZINC000012558570 556048266 /nfs/dbraw/zinc/04/82/66/556048266.db2.gz GSCYJIGGAGTSPK-CYFREDJKSA-N 0 0 465.594 4.495 50 0 JIAARN COc1ccc(OC)c(CN2CCN([C@@H](C)C(=O)Nc3ccc(SC(F)F)cc3)CC2)c1 ZINC000023356873 556048530 /nfs/dbraw/zinc/04/85/30/556048530.db2.gz DLTVVJDZZPJPCT-INIZCTEOSA-N 0 0 465.566 4.163 50 0 JIAARN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000023387527 556050942 /nfs/dbraw/zinc/05/09/42/556050942.db2.gz NHDOMRRFTCTDKM-CABCVRRESA-N 0 0 470.469 4.067 50 0 JIAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)n1 ZINC000015879764 556051626 /nfs/dbraw/zinc/05/16/26/556051626.db2.gz UNGQHGDBXJFJGV-UHFFFAOYSA-N 0 0 457.577 4.358 50 0 JIAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000015880215 556052186 /nfs/dbraw/zinc/05/21/86/556052186.db2.gz SBMIQQNDVJLDEP-UHFFFAOYSA-N 0 0 496.658 4.128 50 0 JIAARN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c2)c1 ZINC000012561158 556053971 /nfs/dbraw/zinc/05/39/71/556053971.db2.gz CMNGWHWJHWLGEM-QGZVFWFLSA-N 0 0 452.532 4.058 50 0 JIAARN O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000015882442 556056723 /nfs/dbraw/zinc/05/67/23/556056723.db2.gz HGPLFEUJDYXBAZ-UHFFFAOYSA-N 0 0 478.599 4.060 50 0 JIAARN CC(=O)c1ccc(N2CCN(C(=O)C[C@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)CC2)c(F)c1 ZINC000012564790 556061200 /nfs/dbraw/zinc/06/12/00/556061200.db2.gz XAAMMBNQTOLKGC-HXUWFJFHSA-N 0 0 495.498 4.199 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CC)CC3)cc2)n(-c2ccccc2Cl)n1 ZINC000023444853 556062007 /nfs/dbraw/zinc/06/20/07/556062007.db2.gz TUSOIXGIEFTCSK-UHFFFAOYSA-N 0 0 466.969 4.428 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)n1 ZINC000023454749 556067762 /nfs/dbraw/zinc/06/77/62/556067762.db2.gz PKHICJNYQOWHGW-UHFFFAOYSA-N 0 0 489.544 4.339 50 0 JIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1N[C@@H](NC(=O)c1ccco1)C(=O)c1ccccc1 ZINC000015922429 556069465 /nfs/dbraw/zinc/06/94/65/556069465.db2.gz DQUYZVLPYIVLHA-HXUWFJFHSA-N 0 0 454.504 4.080 50 0 JIAARN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000015924974 556069702 /nfs/dbraw/zinc/06/97/02/556069702.db2.gz SRUYRLYXIAHAOC-WFASDCNBSA-N 0 0 467.351 4.102 50 0 JIAARN COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000015934952 556072486 /nfs/dbraw/zinc/07/24/86/556072486.db2.gz FDSZERGQQQKTOV-UHFFFAOYSA-N 0 0 480.030 4.144 50 0 JIAARN O=C(CCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccc(Br)cc1 ZINC000023508219 556075992 /nfs/dbraw/zinc/07/59/92/556075992.db2.gz LKTZQDRXJLFHIX-UHFFFAOYSA-N 0 0 487.419 4.182 50 0 JIAARN O=C(OCCN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccccc1Cl ZINC000012577362 556076213 /nfs/dbraw/zinc/07/62/13/556076213.db2.gz DSHXGDJSKANXCN-ULBZPVTCSA-N 0 0 457.913 4.389 50 0 JIAARN Cc1c(P(=Nc2ccccc2C)(N2CCOCC2)N2CCOCC2)c2ccccc2n1C ZINC000012577264 556076311 /nfs/dbraw/zinc/07/63/11/556076311.db2.gz UJAGWUVMDHPUKA-UHFFFAOYSA-N 0 0 452.539 4.448 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1 ZINC000015942493 556077587 /nfs/dbraw/zinc/07/75/87/556077587.db2.gz VMBUHCLFBWQHSO-UHFFFAOYSA-N 0 0 455.536 4.297 50 0 JIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NC[C@H](C)c1ccccc1)nc2C ZINC000015942953 556078252 /nfs/dbraw/zinc/07/82/52/556078252.db2.gz HZNKNJCWLQLQMJ-IBGZPJMESA-N 0 0 457.578 4.208 50 0 JIAARN Cn1ccnc1[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)c1ccccc1 ZINC000012580281 556078730 /nfs/dbraw/zinc/07/87/30/556078730.db2.gz QTONILJYWAJPEC-DEOSSOPVSA-N 0 0 494.661 4.024 50 0 JIAARN O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCN(Cc2nc3ccsc3c(=O)[nH]2)CC1 ZINC000012583452 556080822 /nfs/dbraw/zinc/08/08/22/556080822.db2.gz AIYJLDMMIAJNNG-UHFFFAOYSA-N 0 0 471.007 4.325 50 0 JIAARN O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000023640419 556081311 /nfs/dbraw/zinc/08/13/11/556081311.db2.gz GDCVZRZYUDRINY-UHFFFAOYSA-N 0 0 464.075 4.159 50 0 JIAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)cc1Cl ZINC000012584879 556082332 /nfs/dbraw/zinc/08/23/32/556082332.db2.gz IVOHGMRJXWFPHC-UHFFFAOYSA-N 0 0 460.895 4.130 50 0 JIAARN C[C@@H](c1nnc(SCC(=O)N(C)Cc2nc3ccccc3s2)n1-c1ccc(F)cc1)N(C)C ZINC000012585949 556083259 /nfs/dbraw/zinc/08/32/59/556083259.db2.gz ZCZFDMVLFWAIGB-HNNXBMFYSA-N 0 0 484.626 4.389 50 0 JIAARN COc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3ccc(Br)cc3)C2=O)cc1OC ZINC000015946920 556084045 /nfs/dbraw/zinc/08/40/45/556084045.db2.gz ZQTIWLVBMGGTDH-RUZDIDTESA-N 0 0 496.357 4.474 50 0 JIAARN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCCn1ccc2ccccc21 ZINC000012587829 556084622 /nfs/dbraw/zinc/08/46/22/556084622.db2.gz OPIGJJQPOWKSAB-VWLOTQADSA-N 0 0 463.603 4.304 50 0 JIAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000023743006 556087149 /nfs/dbraw/zinc/08/71/49/556087149.db2.gz OMJIDBDXAYUJIR-UHFFFAOYSA-N 0 0 460.559 4.183 50 0 JIAARN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCN(Cc3ccncc3)CC2)c1 ZINC000023800966 556088513 /nfs/dbraw/zinc/08/85/13/556088513.db2.gz FEIRGKOQRRLBNB-UHFFFAOYSA-N 0 0 471.536 4.040 50 0 JIAARN COc1cc(NC(=O)[C@H](C)Sc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)cc(OC)c1 ZINC000012593271 556088592 /nfs/dbraw/zinc/08/85/92/556088592.db2.gz JPGDACDWKIEADA-GJZGRUSLSA-N 0 0 473.574 4.166 50 0 JIAARN COc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000012593780 556089196 /nfs/dbraw/zinc/08/91/96/556089196.db2.gz NBXBNJZHJKIMJH-OAQYLSRUSA-N 0 0 472.589 4.092 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1Br ZINC000023863566 556093315 /nfs/dbraw/zinc/09/33/15/556093315.db2.gz AHKCLTTXNUPNQJ-UHFFFAOYSA-N 0 0 452.157 4.015 50 0 JIAARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 ZINC000015974857 556097918 /nfs/dbraw/zinc/09/79/18/556097918.db2.gz HSNUGNKFSWWGTJ-NMLBUPMWSA-N 0 0 470.356 4.487 50 0 JIAARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000015978621 556098441 /nfs/dbraw/zinc/09/84/41/556098441.db2.gz WDHMCEHEOJNWAS-CEXWTWQISA-N 0 0 472.607 4.100 50 0 JIAARN Cc1sc2nc(CN3CCN(C(=O)CCc4ccc(-c5ccccc5)o4)CC3)[nH]c(=O)c2c1C ZINC000023909346 556101115 /nfs/dbraw/zinc/10/11/15/556101115.db2.gz FIFFLTDPGLSOLE-UHFFFAOYSA-N 0 0 476.602 4.138 50 0 JIAARN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016001399 556106495 /nfs/dbraw/zinc/10/64/95/556106495.db2.gz VZHMACPGRZDTGC-DDOIHHOZSA-N 0 0 489.881 4.098 50 0 JIAARN Cc1cccc(CN2CCN(C(=O)CSc3nnc(-c4cccc(Br)c4)o3)CC2)c1 ZINC000012738606 556106842 /nfs/dbraw/zinc/10/68/42/556106842.db2.gz WOTRFMNBBNCSKW-UHFFFAOYSA-N 0 0 487.423 4.244 50 0 JIAARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016001677 556106917 /nfs/dbraw/zinc/10/69/17/556106917.db2.gz VSTPGKXOXGIIRZ-RJESQKRESA-N 0 0 471.944 4.233 50 0 JIAARN Cc1ccc(-c2noc(CN3CCN(C(=O)COc4ccc(Cl)cc4Cl)CC3)n2)cc1 ZINC000012759127 556108889 /nfs/dbraw/zinc/10/88/89/556108889.db2.gz XVXUWMOICLEKML-UHFFFAOYSA-N 0 0 461.349 4.075 50 0 JIAARN COc1ccc(-c2nc(C(=O)N3CCN(Cc4nc5ccccc5s4)CC3)cs2)cc1 ZINC000023982918 556110333 /nfs/dbraw/zinc/11/03/33/556110333.db2.gz HKHJBNDQIMESLU-UHFFFAOYSA-N 0 0 450.589 4.386 50 0 JIAARN Cc1ccccc1CN1CCN(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)CC1 ZINC000023983572 556111770 /nfs/dbraw/zinc/11/17/70/556111770.db2.gz OXTAVCQSLTVSPK-UHFFFAOYSA-N 0 0 484.629 4.074 50 0 JIAARN CCOc1ccccc1C(=O)[C@@H]1C(c2ccc(OC)cc2OC)=NO[C@@]12C(=O)Nc1ccccc12 ZINC000016020566 556113241 /nfs/dbraw/zinc/11/32/41/556113241.db2.gz WFGVITFPQRBDID-WNCULLNHSA-N 0 0 472.497 4.184 50 0 JIAARN C[C@H]1C[NH+](CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(Cl)c2)C[C@H](C)O1 ZINC000023991089 556114811 /nfs/dbraw/zinc/11/48/11/556114811.db2.gz UHOGSRPPULZRHB-GJZGRUSLSA-N 0 0 486.421 4.232 50 0 JIAARN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(Br)c1 ZINC000012819726 556115564 /nfs/dbraw/zinc/11/55/64/556115564.db2.gz UFHHCHBHYCVPCE-CYBMUJFWSA-N 0 0 463.806 4.264 50 0 JIAARN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000024007260 556116391 /nfs/dbraw/zinc/11/63/91/556116391.db2.gz NMWUDRHRWWJSFV-UHFFFAOYSA-N 0 0 486.528 4.085 50 0 JIAARN COc1ccc(OC)c(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4C=Cc5ccccc5[C@H]34)C2O)c1 ZINC000016034868 556118693 /nfs/dbraw/zinc/11/86/93/556118693.db2.gz FPWJIAJLZOLILB-QUMGSSFMSA-N 0 0 480.520 4.102 50 0 JIAARN CC(C)c1ccccc1OC[C@@H](O)CN1C(=O)N[C@@](C)(CCc2ccc(OC(F)F)cc2)C1=O ZINC000024097853 556121628 /nfs/dbraw/zinc/12/16/28/556121628.db2.gz JACAJZMCTJTVPB-BVZFJXPGSA-N 0 0 476.520 4.094 50 0 JIAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(Cc3ccco3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012879375 556123095 /nfs/dbraw/zinc/12/30/95/556123095.db2.gz CIDBBEOMGJZMEM-PBBNMVCDSA-N 0 0 499.567 4.400 50 0 biogenic JIAARN COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(S(=O)(=O)NC(C)(C)C)c3)n2)c1 ZINC000012885508 556124296 /nfs/dbraw/zinc/12/42/96/556124296.db2.gz CEPOOSHBEVTEHT-UHFFFAOYSA-N 0 0 475.592 4.156 50 0 JIAARN CC[C@@H](C)N(C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000016044786 556125101 /nfs/dbraw/zinc/12/51/01/556125101.db2.gz WXCXSBLIDSUEBI-APWZRJJASA-N 0 0 487.622 4.342 50 0 JIAARN CN(C)[C@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1c(F)cccc1Cl ZINC000012908133 556127157 /nfs/dbraw/zinc/12/71/57/556127157.db2.gz IOSJUQHBGZJFOJ-OAQYLSRUSA-N 0 0 464.928 4.211 50 0 JIAARN COc1cc(C(=O)Nc2ccccc2Oc2ccccc2Cl)cc(OC)c1OCC(N)=O ZINC000024401451 556130873 /nfs/dbraw/zinc/13/08/73/556130873.db2.gz AMHKMYSEYWMHTB-UHFFFAOYSA-N 0 0 456.882 4.266 50 0 JIAARN COc1ccc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1Cc1ccccc1 ZINC000016273958 556132283 /nfs/dbraw/zinc/13/22/83/556132283.db2.gz RZLXSXNVTSOHSB-UHFFFAOYSA-N 0 0 465.358 4.493 50 0 JIAARN Cc1cc(-c2cc(C(=O)N3CCCN(CC(=O)NC(C)C)CC3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000012918694 556137607 /nfs/dbraw/zinc/13/76/07/556137607.db2.gz DGZBFSSMMALOOG-UHFFFAOYSA-N 0 0 496.681 4.030 50 0 JIAARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(I)cc1 ZINC000012922281 556141126 /nfs/dbraw/zinc/14/11/26/556141126.db2.gz NNLSLSVPUYPVHB-SFHVURJKSA-N 0 0 478.330 4.228 50 0 JIAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)CC2)c1 ZINC000024612398 556141718 /nfs/dbraw/zinc/14/17/18/556141718.db2.gz DENILROTQXQHEU-UHFFFAOYSA-N 0 0 497.661 4.238 50 0 JIAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(Br)cc2Br)no1 ZINC000012923402 556141955 /nfs/dbraw/zinc/14/19/55/556141955.db2.gz ZZYYVUQJRQHUSK-VIFPVBQESA-N 0 0 477.178 4.207 50 0 JIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1CC=C(c2ccc(O)cc2)CC1 ZINC000012923989 556142551 /nfs/dbraw/zinc/14/25/51/556142551.db2.gz LZRKYPDTFIDGLX-UHFFFAOYSA-N 0 0 450.457 4.164 50 0 JIAARN CCc1ccc[n+](C2=C(c3c(C)[n-]n(-c4ccccc4)c3=O)C(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000016571146 556143827 /nfs/dbraw/zinc/14/38/27/556143827.db2.gz JROFPVCTOWGBLU-UHFFFAOYSA-O 0 0 485.951 4.331 50 0 JIAARN CCc1[n-]n(-c2ccccc2)c(=O)c1C1=C([n+]2cc(C)cc(C)c2)C(=O)N(c2cccc(C)c2)C1=O ZINC000016571189 556143955 /nfs/dbraw/zinc/14/39/55/556143955.db2.gz NCFHQMDEJDCRAQ-UHFFFAOYSA-O 0 0 479.560 4.295 50 0 JIAARN CC(C)CN(Cn1nc(-c2ccc(C(C)(C)C)cc2)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012927283 556145527 /nfs/dbraw/zinc/14/55/27/556145527.db2.gz BSOKWSZJMTXYAA-IBGZPJMESA-N 0 0 450.674 4.018 50 0 JIAARN CS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2c3ccccc3Sc3ccccc32)cc1 ZINC000024689372 556145651 /nfs/dbraw/zinc/14/56/51/556145651.db2.gz BVGCIBHHWGFRLL-UHFFFAOYSA-N 0 0 474.629 4.061 50 0 JIAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cc2)C1 ZINC000012933261 556149318 /nfs/dbraw/zinc/14/93/18/556149318.db2.gz RBGBEFWTXVGMTQ-HNNXBMFYSA-N 0 0 498.432 4.125 50 0 JIAARN Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000012935024 556150527 /nfs/dbraw/zinc/15/05/27/556150527.db2.gz LCRDWOQNGGLFEF-UHFFFAOYSA-N 0 0 475.511 4.068 50 0 JIAARN C[C@H]1CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)c2ccccc2S1 ZINC000012937220 556151794 /nfs/dbraw/zinc/15/17/94/556151794.db2.gz BUQJRFZRHBEPHB-ZDUSSCGKSA-N 0 0 469.426 4.231 50 0 JIAARN COc1ccc(CNC(=O)[C@H](C)SCc2cc(OC)c(OC)cc2Br)cc1OC ZINC000012937811 556152097 /nfs/dbraw/zinc/15/20/97/556152097.db2.gz ZWZKWNLMSOZVEK-ZDUSSCGKSA-N 0 0 484.412 4.422 50 0 JIAARN CC(C)(C)c1cc(CCC(=O)N2CCN(C(=O)c3ccccn3)CC2)cc(C(C)(C)C)c1O ZINC000012941266 556154881 /nfs/dbraw/zinc/15/48/81/556154881.db2.gz ZBAAIYLTUMRVBS-UHFFFAOYSA-N 0 0 451.611 4.299 50 0 JIAARN COc1ccc(NC(=O)[C@@H](C)Sc2ccccc2C(=O)NCC(=O)C(C)(C)C)cc1OC ZINC000012943719 556156198 /nfs/dbraw/zinc/15/61/98/556156198.db2.gz BHBJARORABXHJZ-OAHLLOKOSA-N 0 0 458.580 4.168 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(N[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000024835864 556159049 /nfs/dbraw/zinc/15/90/49/556159049.db2.gz MSSRPVUEILQDQB-LJQANCHMSA-N 0 0 458.628 4.147 50 0 JIAARN CCCOc1c(Br)cc(C(=O)OCC(=O)NCCc2ccccc2C)cc1OC ZINC000012948890 556159174 /nfs/dbraw/zinc/15/91/74/556159174.db2.gz AGIQVEYLTYPYNL-UHFFFAOYSA-N 0 0 464.356 4.071 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(SCc1csc(NC(C)=O)n1)n(CCc1ccccc1)c2=O ZINC000024920814 556163154 /nfs/dbraw/zinc/16/31/54/556163154.db2.gz ZNXOQIIYHTTXHU-UHFFFAOYSA-N 0 0 494.598 4.133 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4OC)cc23)cc1 ZINC000016842080 556163626 /nfs/dbraw/zinc/16/36/26/556163626.db2.gz FMTVYUNZBAYBKX-UHFFFAOYSA-N 0 0 462.531 4.312 50 0 JIAARN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)C1 ZINC000012971955 556163766 /nfs/dbraw/zinc/16/37/66/556163766.db2.gz YGBHROHQCDBMGR-AWEZNQCLSA-N 0 0 469.426 4.210 50 0 JIAARN CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccccc2[S@@](=O)CC)sc2c1CCCC2 ZINC000024941816 556164735 /nfs/dbraw/zinc/16/47/35/556164735.db2.gz FFRJPPQCEOXRMD-BAJJSZBSSA-N 0 0 477.604 4.115 50 0 JIAARN O=C(NC1CCCCCC1)c1sccc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000016843430 556165685 /nfs/dbraw/zinc/16/56/85/556165685.db2.gz ZQIBDIZNBBDAKA-UHFFFAOYSA-N 0 0 482.071 4.365 50 0 JIAARN CCCCn1c2ncn(C3CCCC3)c2c(=O)n(C[C@H](O)COc2ccc(Cl)cc2Cl)c1=O ZINC000024971667 556165974 /nfs/dbraw/zinc/16/59/74/556165974.db2.gz QIGNWEQQGLDHKO-KRWDZBQOSA-N 0 0 495.407 4.022 50 0 JIAARN COc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000016844685 556166478 /nfs/dbraw/zinc/16/64/78/556166478.db2.gz FCXNYJSJCFUJGN-UHFFFAOYSA-N 0 0 485.631 4.137 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3ccccc3nc2N2CCCC2)c1 ZINC000024975946 556166876 /nfs/dbraw/zinc/16/68/76/556166876.db2.gz LDJAJQXBVZZWRS-UHFFFAOYSA-N 0 0 488.013 4.166 50 0 JIAARN COc1cc(OC)cc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(F)cc3)n2)c1 ZINC000016846567 556168718 /nfs/dbraw/zinc/16/87/18/556168718.db2.gz GFNYMVYKEBUALR-UHFFFAOYSA-N 0 0 475.523 4.447 50 0 JIAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cc(OC)cc(OC)c3)no2)cc1 ZINC000016846530 556168773 /nfs/dbraw/zinc/16/87/73/556168773.db2.gz DKZGLCSQENPWFH-UHFFFAOYSA-N 0 0 487.559 4.316 50 0 JIAARN COc1ccc(CNC(=O)[C@H](C)Sc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1OC ZINC000012975979 556168815 /nfs/dbraw/zinc/16/88/15/556168815.db2.gz HZCVXNYCUZETCC-INIZCTEOSA-N 0 0 473.591 4.273 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000016859782 556170422 /nfs/dbraw/zinc/17/04/22/556170422.db2.gz QWCUAEWOHUMGIO-OAHLLOKOSA-N 0 0 486.450 4.039 50 0 JIAARN CN(C)S(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)ccc1Cl ZINC000012979705 556172743 /nfs/dbraw/zinc/17/27/43/556172743.db2.gz KKALQEHHDNOHIG-UHFFFAOYSA-N 0 0 472.876 4.047 50 0 JIAARN COc1ccccc1OC[C@H](O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000016903016 556175066 /nfs/dbraw/zinc/17/50/66/556175066.db2.gz PDEKWRIVJNEVKC-GHTZIAJQSA-N 0 0 475.520 4.144 50 0 JIAARN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000012981969 556175108 /nfs/dbraw/zinc/17/51/08/556175108.db2.gz IYZSYAWBKMNATM-LIRRHRJNSA-N 0 0 450.352 4.434 50 0 JIAARN O=C(NCCSCc1ccc(Br)s1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000012982496 556175785 /nfs/dbraw/zinc/17/57/85/556175785.db2.gz RFWRSSGLHJYEIW-UHFFFAOYSA-N 0 0 470.382 4.170 50 0 JIAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2noc(-c3ccc(Cl)cc3)n2)C1=O ZINC000025054404 556175856 /nfs/dbraw/zinc/17/58/56/556175856.db2.gz RRNCBXHNSTWNKI-IBGZPJMESA-N 0 0 461.703 4.120 50 0 JIAARN C[C@H]1CN(Cc2csc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)n2)C[C@H](C)O1 ZINC000025059767 556177114 /nfs/dbraw/zinc/17/71/14/556177114.db2.gz XDIJIUSBGPXOAC-KBPBESRZSA-N 0 0 461.975 4.027 50 0 JIAARN COCCn1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1c[nH]c2ccccc21 ZINC000016942931 556181277 /nfs/dbraw/zinc/18/12/77/556181277.db2.gz QJYZQZOPOZEHBC-UHFFFAOYSA-N 0 0 455.971 4.135 50 0 JIAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSc2nnc(-c3ccco3)o2)cc1 ZINC000012987737 556182253 /nfs/dbraw/zinc/18/22/53/556182253.db2.gz MLHRGPJVJSWASQ-UHFFFAOYSA-N 0 0 478.530 4.042 50 0 JIAARN CN(CC(=O)Nc1ccccc1Br)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000012992880 556185117 /nfs/dbraw/zinc/18/51/17/556185117.db2.gz PZQWWEATNRCFJI-MRXNPFEDSA-N 0 0 482.787 4.003 50 0 JIAARN COc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000016954226 556185349 /nfs/dbraw/zinc/18/53/49/556185349.db2.gz DZFAASXYSJJSCP-JOCHJYFZSA-N 0 0 453.564 4.325 50 0 JIAARN COc1ccc(-c2cc3c(SCC(=O)Nc4cc(OC)c(OC)c(OC)c4)nccn3n2)cc1 ZINC000016954673 556186009 /nfs/dbraw/zinc/18/60/09/556186009.db2.gz JQCWBTOMFKKQGF-UHFFFAOYSA-N 0 0 480.546 4.162 50 0 JIAARN COc1ccc(-c2noc(-c3c(N)n(CC(=O)Nc4cccc(SC)c4)nc3SC)n2)cc1 ZINC000016954844 556186281 /nfs/dbraw/zinc/18/62/81/556186281.db2.gz CHTGOOADHLFAQR-UHFFFAOYSA-N 0 0 482.591 4.273 50 0 JIAARN Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000012994317 556186813 /nfs/dbraw/zinc/18/68/13/556186813.db2.gz BGDHOLYBPPCKFK-UHFFFAOYSA-N 0 0 468.804 4.443 50 0 JIAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)cc12 ZINC000012995766 556188388 /nfs/dbraw/zinc/18/83/88/556188388.db2.gz QICWNBSXMHJHNU-UHFFFAOYSA-N 0 0 499.033 4.001 50 0 JIAARN COc1ccc(CCn2c(=O)c3ncccc3n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1OC ZINC000016959896 556189780 /nfs/dbraw/zinc/18/97/80/556189780.db2.gz UFLMDRSCRNSGQC-UHFFFAOYSA-N 0 0 486.355 4.173 50 0 JIAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000025150211 556190536 /nfs/dbraw/zinc/19/05/36/556190536.db2.gz HLQQFONGBMBYLA-UHFFFAOYSA-N 0 0 483.359 4.069 50 0 JIAARN CCSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012998543 556191187 /nfs/dbraw/zinc/19/11/87/556191187.db2.gz MZBAVGRCNFLFRG-UHFFFAOYSA-N 0 0 459.420 4.252 50 0 JIAARN Cc1cc(I)ccc1NC(=O)CN(Cc1ccco1)Cc1ccco1 ZINC000012998655 556191196 /nfs/dbraw/zinc/19/11/96/556191196.db2.gz SPOBWQTWBXQWNO-UHFFFAOYSA-N 0 0 450.276 4.427 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3c4ccccc4C[C@@H]3C)cc2)cc1 ZINC000012998897 556191631 /nfs/dbraw/zinc/19/16/31/556191631.db2.gz ZABMBDROVYIHCI-IBGZPJMESA-N 0 0 450.560 4.177 50 0 JIAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000012999482 556191895 /nfs/dbraw/zinc/19/18/95/556191895.db2.gz RMLHSVFINFDBHQ-FQEVSTJZSA-N 0 0 459.015 4.066 50 0 JIAARN COc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccccc5OC)CC4)sc3n2)cc1 ZINC000016992491 556196033 /nfs/dbraw/zinc/19/60/33/556196033.db2.gz NYJKUBPSZCWZGE-UHFFFAOYSA-N 0 0 462.575 4.351 50 0 JIAARN Cc1cc(O)c([C@@H](c2cccc(F)c2)N2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccccn1 ZINC000016993721 556197927 /nfs/dbraw/zinc/19/79/27/556197927.db2.gz CKTXUOGJMNBULE-MUUNZHRXSA-N 0 0 484.575 4.356 50 0 JIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c1 ZINC000013007544 556199195 /nfs/dbraw/zinc/19/91/95/556199195.db2.gz QETLKPCTKRJFSH-RBISFHTESA-N 0 0 493.604 4.132 50 0 JIAARN CCc1cc2c(nc(S[C@@H](C)C(=O)Nc3ccc(F)c(F)c3)n(CCCOC)c2=O)s1 ZINC000017005380 556199799 /nfs/dbraw/zinc/19/97/99/556199799.db2.gz NWVVXQOHBYUFLL-LBPRGKRZSA-N 0 0 467.563 4.454 50 0 JIAARN COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000025173952 556202346 /nfs/dbraw/zinc/20/23/46/556202346.db2.gz NSBHFVHQXLAPAQ-JOCHJYFZSA-N 0 0 471.005 4.010 50 0 JIAARN O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000013013400 556204545 /nfs/dbraw/zinc/20/45/45/556204545.db2.gz WXJPHDISRLNMMW-UHFFFAOYSA-N 0 0 464.465 4.112 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(C)cc4C)ccc32)cc1 ZINC000017026010 556205374 /nfs/dbraw/zinc/20/53/74/556205374.db2.gz DJXFKWGZNPKZER-UHFFFAOYSA-N 0 0 486.615 4.254 50 0 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CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)c1 ZINC000008690410 562953876 /nfs/dbraw/zinc/95/38/76/562953876.db2.gz OWYDJXVZAYREKI-UHFFFAOYSA-N 0 0 497.598 4.174 50 0 aggregator JIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCc2ccccn2)cc1 ZINC000008691951 562954219 /nfs/dbraw/zinc/95/42/19/562954219.db2.gz YYESYVIBDNGBSW-QFIPXVFZSA-N 0 0 495.004 4.317 50 0 JIAARN Cc1ccc(NC(=O)COC(=O)c2csc3c2CC[C@@H](C)C3)cc1S(=O)(=O)N1CCCCC1 ZINC000008694016 562954521 /nfs/dbraw/zinc/95/45/21/562954521.db2.gz RNLLWNQGDARIPE-MRXNPFEDSA-N 0 0 490.647 4.151 50 0 JIAARN COc1ccc(NC(=O)CN(C)C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000024746408 563020356 /nfs/dbraw/zinc/02/03/56/563020356.db2.gz RFWGNQVRQCXSFJ-XNTDXEJSSA-N 0 0 481.556 4.112 50 0 JIAARN COc1ccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 ZINC000032966649 563109946 /nfs/dbraw/zinc/10/99/46/563109946.db2.gz FYSBUDWLMOAEBD-UHFFFAOYSA-N 0 0 470.529 4.267 50 0 JIAARN O=C(N[C@H](Cc1ccccc1)C(=O)NCCOc1ccc(Cl)cc1)OCc1ccccc1 ZINC000008439693 569589847 /nfs/dbraw/zinc/58/98/47/569589847.db2.gz KEQQLXMEOGCDIU-HSZRJFAPSA-N 0 0 452.938 4.373 50 0 JIAARN O=C(Cc1ccccc1)N(Cc1cccnc1)C1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000008695425 569593482 /nfs/dbraw/zinc/59/34/82/569593482.db2.gz GEKWDBBNHPBSHK-UHFFFAOYSA-N 0 0 498.627 4.441 50 0 JIAARN O=c1[nH]c(CSc2nnc(N3CCCCC3)n2-c2ccccc2)nc2cc(Cl)ccc12 ZINC000008704694 569593822 /nfs/dbraw/zinc/59/38/22/569593822.db2.gz AXJGEARUPUQUJH-UHFFFAOYSA-N 0 0 452.971 4.440 50 0 JIAARN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000057054101 569594125 /nfs/dbraw/zinc/59/41/25/569594125.db2.gz NGZPULDTLJEEQW-UHFFFAOYSA-N 0 0 460.475 4.033 50 0 JIAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)ccc21 ZINC000008708618 569595229 /nfs/dbraw/zinc/59/52/29/569595229.db2.gz IZDZRIKNEMEPEJ-BEFAXECRSA-N 0 0 482.631 4.458 50 0 JIAARN Cc1ccc2c(CC(=O)Nc3ccc(NS(=O)(=O)c4ccc5c(c4)OCCO5)cc3)coc2c1 ZINC000008710302 569595593 /nfs/dbraw/zinc/59/55/93/569595593.db2.gz MWUVPYLHPXDFAZ-UHFFFAOYSA-N 0 0 478.526 4.494 50 0 JIAARN COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000057312387 569596270 /nfs/dbraw/zinc/59/62/70/569596270.db2.gz XGQPJEBRDCTCCI-AREMUKBSSA-N 0 0 487.556 4.454 50 0 JIAARN C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1Cl ZINC000057312318 569596318 /nfs/dbraw/zinc/59/63/18/569596318.db2.gz KXINSTWBUORAJR-KRWDZBQOSA-N 0 0 450.004 4.194 50 0 JIAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000008720910 569598274 /nfs/dbraw/zinc/59/82/74/569598274.db2.gz ILBGNHFLWVTBNM-LJJBLSSYSA-N 0 0 490.968 4.322 50 0 JIAARN CC(C)COc1ccc(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000057350816 569599001 /nfs/dbraw/zinc/59/90/01/569599001.db2.gz VPLXRMITNIJEPE-UHFFFAOYSA-N 0 0 454.958 4.383 50 0 JIAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000008724293 569599757 /nfs/dbraw/zinc/59/97/57/569599757.db2.gz BZFADEYIKSJEOJ-SFHVURJKSA-N 0 0 478.603 4.133 50 0 JIAARN COc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)cc1 ZINC000057417088 569601426 /nfs/dbraw/zinc/60/14/26/569601426.db2.gz RSGUVEWEXXLGBP-UHFFFAOYSA-N 0 0 469.563 4.063 50 0 JIAARN COc1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)ccc1OC1CCCC1 ZINC000059298736 569602596 /nfs/dbraw/zinc/60/25/96/569602596.db2.gz SLNCBYZZMIXUNX-PXLXIMEGSA-N 0 0 466.559 4.483 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(Cc3ccccc3)s2)c1 ZINC000032971628 569603770 /nfs/dbraw/zinc/60/37/70/569603770.db2.gz ZCANBIHLMAHMQL-UHFFFAOYSA-N 0 0 465.000 4.065 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000032974559 569605624 /nfs/dbraw/zinc/60/56/24/569605624.db2.gz XLAJUJDOGSRSQH-UHFFFAOYSA-N 0 0 456.564 4.208 50 0 JIAARN O=C(NCc1cccs1)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000032975493 569606181 /nfs/dbraw/zinc/60/61/81/569606181.db2.gz IXDRIPCBJUCHJD-FQEVSTJZSA-N 0 0 498.674 4.004 50 0 JIAARN CCc1nn(-c2ccccc2)c2c1CN(C(=O)NCC(=O)OC)[C@@H](c1cccc(OC)c1)c1cccn1-2 ZINC000032977748 569606479 /nfs/dbraw/zinc/60/64/79/569606479.db2.gz FBXBMUGTIQKGMN-SANMLTNESA-N 0 0 499.571 4.022 50 0 JIAARN CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000032986057 569608755 /nfs/dbraw/zinc/60/87/55/569608755.db2.gz VFBOUEWWTYCCGU-UHFFFAOYSA-N 0 0 465.428 4.165 50 0 JIAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc4ccccc4nc3N3CCCC3)ccc21 ZINC000060364232 569608879 /nfs/dbraw/zinc/60/88/79/569608879.db2.gz VJLLWVGVMZINGO-KRWDZBQOSA-N 0 0 457.530 4.172 50 0 JIAARN Cc1ccc(NC(=O)c2nnc(CCCC(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)s2)cc1 ZINC000032995109 569610111 /nfs/dbraw/zinc/61/01/11/569610111.db2.gz BNRHLBALHWDGDQ-FQEVSTJZSA-N 0 0 477.634 4.467 50 0 JIAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)OC2 ZINC000062001302 569610130 /nfs/dbraw/zinc/61/01/30/569610130.db2.gz PCGUMSVSYWZNTA-LHHJGKSTSA-N 0 0 452.507 4.246 50 0 biogenic JIAARN COc1cc2c(cc1OC)CN(C(=O)c1cc(=O)c(OCc3ccc(Cl)cc3)c[nH]1)CC2 ZINC000062001369 569610168 /nfs/dbraw/zinc/61/01/68/569610168.db2.gz PYUHCJOFRUPKFP-UHFFFAOYSA-N 0 0 454.910 4.235 50 0 biogenic JIAARN O=C(CN1CCN(C(=O)c2ccc(COc3ccccc3)o2)CC1)Nc1ccccc1C(F)(F)F ZINC000062263365 569610406 /nfs/dbraw/zinc/61/04/06/569610406.db2.gz ZVRHXKXKVRUUOC-UHFFFAOYSA-N 0 0 487.478 4.274 50 0 JIAARN Cc1ccccc1-c1nn2c(nc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)cc2=O)s1 ZINC000032996126 569610526 /nfs/dbraw/zinc/61/05/26/569610526.db2.gz KWBVZAWHGUKMCX-UHFFFAOYSA-N 0 0 480.981 4.134 50 0 JIAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(OC)cc1OC)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997479 569611324 /nfs/dbraw/zinc/61/13/24/569611324.db2.gz BHZXYXUVDZJDNW-QFIPXVFZSA-N 0 0 452.536 4.420 50 0 JIAARN O=C(CN1CCC(c2nc3cc(Cl)ccc3o2)CC1)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000062587356 569611971 /nfs/dbraw/zinc/61/19/71/569611971.db2.gz NBWIWXOXMKHSSJ-UHFFFAOYSA-N 0 0 499.036 4.488 50 0 JIAARN COc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCc4cccc(F)c4)cc3)n2)cc1 ZINC000032998869 569613052 /nfs/dbraw/zinc/61/30/52/569613052.db2.gz WBINIQIYKUKBMR-UHFFFAOYSA-N 0 0 461.518 4.461 50 0 JIAARN Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)NCc3cccc(Br)c3)c(=O)c12 ZINC000032999268 569613567 /nfs/dbraw/zinc/61/35/67/569613567.db2.gz HLPKPTFCWWEABH-UHFFFAOYSA-N 0 0 497.368 4.412 50 0 JIAARN Cc1nnc([C@@H](NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c2ccccc2)[nH]1 ZINC000062628395 569613724 /nfs/dbraw/zinc/61/37/24/569613724.db2.gz ALQJZLWNLNMABW-AWEZNQCLSA-N 0 0 476.183 4.250 50 0 JIAARN COc1ccc(OC)c(CNC(=O)Nc2cccc(C(=O)Nc3ccc(Br)cn3)c2)c1 ZINC000062630775 569613883 /nfs/dbraw/zinc/61/38/83/569613883.db2.gz SBDCSNRJJAFLAP-UHFFFAOYSA-N 0 0 485.338 4.435 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3ccc(Cn4c5ccccc5nc(C)c4=O)cc3)C[C@@H]2C)c1 ZINC000033005803 569614446 /nfs/dbraw/zinc/61/44/46/569614446.db2.gz JWTHZFUSAWQZRF-NRFANRHFSA-N 0 0 466.585 4.413 50 0 JIAARN Cc1nc2ccccc2n(Cc2ccc(C(=O)NCc3cccc(Br)c3)cc2)c1=O ZINC000033005937 569614661 /nfs/dbraw/zinc/61/46/61/569614661.db2.gz FZTIXSORVSYKOJ-UHFFFAOYSA-N 0 0 462.347 4.446 50 0 JIAARN CSc1cccc(NC(=O)[C@@H]2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)c1 ZINC000033006289 569614725 /nfs/dbraw/zinc/61/47/25/569614725.db2.gz LJOHYNXHIIMMQT-HXUWFJFHSA-N 0 0 485.613 4.417 50 0 JIAARN CC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3nc4cccnc4n(Cc4ccc(C)cc4)c3=O)C2)c1 ZINC000033006449 569614751 /nfs/dbraw/zinc/61/47/51/569614751.db2.gz PEAJBXGUNATNJT-QHCPKHFHSA-N 0 0 495.583 4.206 50 0 JIAARN O=C(NC1CCCCCCC1)[C@@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 ZINC000033006275 569614766 /nfs/dbraw/zinc/61/47/66/569614766.db2.gz VEVBAHXVIKUNSY-JOCHJYFZSA-N 0 0 473.621 4.285 50 0 JIAARN O=C(CN1CCN(c2nc(-c3cccnc3)nc3ccccc32)CC1)Nc1ccccc1C(F)(F)F ZINC000062734735 569614778 /nfs/dbraw/zinc/61/47/78/569614778.db2.gz MOTKEOLTWCNNKM-UHFFFAOYSA-N 0 0 492.505 4.471 50 0 JIAARN COc1ccc(CNC(=O)CSc2nc3ccccc3n(Cc3ccc(C)cc3)c2=O)cc1 ZINC000033006733 569614849 /nfs/dbraw/zinc/61/48/49/569614849.db2.gz CINZLRXCQZRUCV-UHFFFAOYSA-N 0 0 459.571 4.170 50 0 JIAARN COc1cc(NS(=O)(=O)c2ccc(F)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007971 569615860 /nfs/dbraw/zinc/61/58/60/569615860.db2.gz QZZYOVIMZBTCRK-UHFFFAOYSA-N 0 0 457.508 4.497 50 0 JIAARN Cc1cc(=O)c(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)c(C2CC2)n1Cc1cccs1 ZINC000064074704 569616201 /nfs/dbraw/zinc/61/62/01/569616201.db2.gz DVZLONKJGLLUNP-XMMPIXPASA-N 0 0 487.669 4.459 50 0 JIAARN Cc1ccccc1Cn1c2ccccc2c(=O)n(CCCCC(=O)Nc2ccc(F)cc2)c1=O ZINC000064438480 569616596 /nfs/dbraw/zinc/61/65/96/569616596.db2.gz SSZHFNGXYPIOAY-UHFFFAOYSA-N 0 0 459.521 4.468 50 0 JIAARN Cc1c(-c2nc(-c3cccc(C)c3)no2)sc2ncn(CC(=O)NCCc3ccccc3)c(=O)c12 ZINC000064439160 569616700 /nfs/dbraw/zinc/61/67/00/569616700.db2.gz XPAFAFRIFWHYJV-UHFFFAOYSA-N 0 0 485.569 4.151 50 0 JIAARN CCc1ccc(NC(=O)Cn2cnc3sc(-c4nc(-c5ccncc5)no4)c(C)c3c2=O)cc1 ZINC000064439251 569616789 /nfs/dbraw/zinc/61/67/89/569616789.db2.gz TVEOFMQILJKDSP-UHFFFAOYSA-N 0 0 472.530 4.080 50 0 JIAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(N6CCOCC6)cc5)n3n2)CCCC4)cc1 ZINC000064449987 569616972 /nfs/dbraw/zinc/61/69/72/569616972.db2.gz BXTBCSFVJMZDFH-UHFFFAOYSA-N 0 0 454.578 4.483 50 0 JIAARN Cc1ccc(NC(=O)c2nnc(SCC(=O)NCc3ccc(OC(C)C)cc3)s2)cc1 ZINC000033011822 569617262 /nfs/dbraw/zinc/61/72/62/569617262.db2.gz BCFBHRPPIANBFP-UHFFFAOYSA-N 0 0 456.593 4.295 50 0 JIAARN CC(C)NC(=O)N1CCN(c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064450936 569617500 /nfs/dbraw/zinc/61/75/00/569617500.db2.gz CIEPCXGRZKOCPJ-UHFFFAOYSA-N 0 0 459.595 4.047 50 0 JIAARN O=C(NCCCN1CCN(c2ccccc2F)CC1)c1ccn2c(c1)nnc2-c1cccc(Cl)c1 ZINC000064459974 569617827 /nfs/dbraw/zinc/61/78/27/569617827.db2.gz HXGSHQOZQHCMSW-UHFFFAOYSA-N 0 0 492.986 4.131 50 0 JIAARN CCOc1ccccc1CNC(=O)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1 ZINC000033018554 569618320 /nfs/dbraw/zinc/61/83/20/569618320.db2.gz XTYDQPHOYIWIJB-UHFFFAOYSA-N 0 0 452.514 4.026 50 0 JIAARN O=C(NCc1cccc(Br)c1)[C@@H]1CCCN(c2nc3ncccc3n3cccc23)C1 ZINC000033019196 569618660 /nfs/dbraw/zinc/61/86/60/569618660.db2.gz DABXGNPHUHXYCG-QGZVFWFLSA-N 0 0 464.367 4.178 50 0 JIAARN CC[C@@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C)c4C)CC3)ccc21 ZINC000033023127 569619420 /nfs/dbraw/zinc/61/94/20/569619420.db2.gz PPEDNTJMAWDTTO-QGZVFWFLSA-N 0 0 469.611 4.059 50 0 JIAARN CCCc1ccc(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccc(C)cc5)o4)nn3C)C2)cc1 ZINC000064566601 569619477 /nfs/dbraw/zinc/61/94/77/569619477.db2.gz DQRNGFQYHQGLBY-UHFFFAOYSA-N 0 0 477.590 4.145 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000033026184 569620924 /nfs/dbraw/zinc/62/09/24/569620924.db2.gz IMYPKTLUKVONST-UHFFFAOYSA-N 0 0 481.599 4.495 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000033026176 569620943 /nfs/dbraw/zinc/62/09/43/569620943.db2.gz DZGHGQCRIABELZ-UHFFFAOYSA-N 0 0 451.573 4.404 50 0 JIAARN COc1ccccc1C[NH+]1CCN(c2ccc(NC(=O)c3cccc(C)c3)c(C(=O)[O-])c2)CC1 ZINC000064589673 569621083 /nfs/dbraw/zinc/62/10/83/569621083.db2.gz QZLZSFDEWROHNZ-UHFFFAOYSA-N 0 0 459.546 4.276 50 0 JIAARN CC1CCN(S(=O)(=O)c2ccc(-c3noc(CCC(=O)Nc4cccc(Cl)c4)n3)cc2)CC1 ZINC000033123370 569621643 /nfs/dbraw/zinc/62/16/43/569621643.db2.gz NZVBIFWHKLQCHP-UHFFFAOYSA-N 0 0 488.997 4.382 50 0 JIAARN O=C(CSc1nnc2n1c1ccsc1c(=O)n2Cc1ccco1)Nc1ccc(Cl)cc1 ZINC000064590709 569621658 /nfs/dbraw/zinc/62/16/58/569621658.db2.gz CCRDBJHZEUFCAJ-UHFFFAOYSA-N 0 0 471.951 4.131 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)CSc1nccc(N2CCN(c3ccccc3)CC2)n1 ZINC000033309880 569622649 /nfs/dbraw/zinc/62/26/49/569622649.db2.gz NJQLJNURAKLRPF-UHFFFAOYSA-N 0 0 453.999 4.496 50 0 JIAARN Cc1nc(Nc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc(N(C)C)n1 ZINC000033318457 569623178 /nfs/dbraw/zinc/62/31/78/569623178.db2.gz SWAVYEFSSJDWCE-UHFFFAOYSA-N 0 0 462.373 4.158 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCC(C)CC5)c4c3)CC2)c(C)c1 ZINC000064612223 569623387 /nfs/dbraw/zinc/62/33/87/569623387.db2.gz LFBYNQMUHWZRGI-UHFFFAOYSA-N 0 0 494.661 4.392 50 0 JIAARN Cc1ccc(-c2nc3n(n2)c(=O)c(Cc2ccccc2)c(C)n3CC(=O)N2CCCC[C@H]2C)cc1 ZINC000033324764 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JIAARN CCOC(=O)C1=C(CN2CC=C(c3c[nH]c4ccccc43)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000089978309 569720573 /nfs/dbraw/zinc/72/05/73/569720573.db2.gz UXRACQRELFXYTJ-AREMUKBSSA-N 0 0 486.572 4.137 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)oc3c(C)c(O)ccc23)c1 ZINC000089969586 569720621 /nfs/dbraw/zinc/72/06/21/569720621.db2.gz HZKGTKICFWFLQI-UHFFFAOYSA-N 0 0 493.537 4.379 50 0 JIAARN COc1ccccc1CN1Cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H](C)C1=O ZINC000035887119 569720659 /nfs/dbraw/zinc/72/06/59/569720659.db2.gz TUWZCJJAQZJVNQ-INIZCTEOSA-N 0 0 486.977 4.459 50 0 JIAARN CCOC(=O)N1CCN(C(=O)C[C@@H](c2c[nH]c3c2cccc3CC)c2ccc3c(c2)OCO3)CC1 ZINC000035888957 569721404 /nfs/dbraw/zinc/72/14/04/569721404.db2.gz BXBMAJZQDRXWQU-OAQYLSRUSA-N 0 0 477.561 4.282 50 0 JIAARN Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc(Br)c(I)c1 ZINC000095348991 569722491 /nfs/dbraw/zinc/72/24/91/569722491.db2.gz GYGGVIHKDUBCFP-MRVPVSSYSA-N 0 0 462.129 4.146 50 0 JIAARN COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CCN(c4ccccc4F)C[C@H]23)cc1OC ZINC000035893558 569722822 /nfs/dbraw/zinc/72/28/22/569722822.db2.gz CZUUGAXSNJSKTB-ATIYNZHBSA-N 0 0 489.591 4.069 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000035908548 569724204 /nfs/dbraw/zinc/72/42/04/569724204.db2.gz VLTCIYHOPCREHT-UHFFFAOYSA-N 0 0 458.541 4.178 50 0 JIAARN COc1ccccc1N1CN(Cc2ccccn2)Cn2c(=O)c(Cc3ccccc3)c(C)nc21 ZINC000095481387 569724758 /nfs/dbraw/zinc/72/47/58/569724758.db2.gz JMPKGXIABMWJCD-UHFFFAOYSA-N 0 0 453.546 4.115 50 0 JIAARN COc1cccc(CN2Cc3cc(NC(=O)c4cccc(F)c4)ccc3O[C@@H](C)C2=O)c1OC ZINC000035909728 569724903 /nfs/dbraw/zinc/72/49/03/569724903.db2.gz MDSUOZCXAGTDIZ-INIZCTEOSA-N 0 0 464.493 4.405 50 0 JIAARN COc1cccc(CN2Cc3cc(NC(=O)COc4ccccc4)ccc3O[C@H](C)C2=O)c1OC ZINC000035909755 569724942 /nfs/dbraw/zinc/72/49/42/569724942.db2.gz QCSZBSSWYMAOKC-GOSISDBHSA-N 0 0 476.529 4.031 50 0 JIAARN O=C(Cn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21)NCCN1CCOCC1 ZINC000095536241 569725652 /nfs/dbraw/zinc/72/56/52/569725652.db2.gz TWECIGACAVLTQT-UHFFFAOYSA-N 0 0 481.811 4.036 50 0 JIAARN COCc1nc(CC(C)C)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1cccc(Cl)c1 ZINC000095536449 569725784 /nfs/dbraw/zinc/72/57/84/569725784.db2.gz BDJBBYWRKNGLBO-UHFFFAOYSA-N 0 0 459.034 4.370 50 0 JIAARN O=C(Cn1nc2c3cc(-c4ccccc4)nn3ccn2c1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000095537797 569726124 /nfs/dbraw/zinc/72/61/24/569726124.db2.gz UKOYBKCWCKSWKK-UHFFFAOYSA-N 0 0 486.841 4.122 50 0 JIAARN Cc1cc(-c2c(C)nc3c(OCC(=O)OC(C)(C)C)cccn3c2=O)nn1-c1cccc(F)c1 ZINC000035911444 569726633 /nfs/dbraw/zinc/72/66/33/569726633.db2.gz DNYNCZUBZFWIMR-UHFFFAOYSA-N 0 0 464.497 4.024 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCCC4)n3c2=O)nn1-c1cc(C)ccc1C ZINC000035911772 569726924 /nfs/dbraw/zinc/72/69/24/569726924.db2.gz SSGXFNAKWPHJQF-UHFFFAOYSA-N 0 0 461.591 4.007 50 0 JIAARN CCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cc(Cl)ccc4C)n3)c(=O)n12 ZINC000035911984 569727073 /nfs/dbraw/zinc/72/70/73/569727073.db2.gz AFXZMNKMKMJRMT-UHFFFAOYSA-N 0 0 469.998 4.256 50 0 JIAARN O=C(c1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)c1)N1CCOCC1 ZINC000095546811 569727206 /nfs/dbraw/zinc/72/72/06/569727206.db2.gz HCXQLBRHYJLSMX-UHFFFAOYSA-N 0 0 475.549 4.233 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCN(C(=O)c4ccccc4)CC3)c12 ZINC000035912627 569727696 /nfs/dbraw/zinc/72/76/96/569727696.db2.gz HRQKVHOGCSLIAW-UHFFFAOYSA-N 0 0 454.578 4.285 50 0 JIAARN CC(=O)c1ccc(-c2ccc3nc(-c4ccccc4)c(CCC(=O)NCCN4CCOCC4)n3c2)cc1 ZINC000095597792 569727897 /nfs/dbraw/zinc/72/78/97/569727897.db2.gz BAARWATWBXDSAC-UHFFFAOYSA-N 0 0 496.611 4.252 50 0 JIAARN CCCC(=O)N1CCN(c2nc(Cc3ccc(C)cc3)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000035912830 569727914 /nfs/dbraw/zinc/72/79/14/569727914.db2.gz UYYKRLZYEDMDME-UHFFFAOYSA-N 0 0 468.605 4.472 50 0 JIAARN CCC[C@H](Oc1cccn2c(=O)c(-c3cc(C)n(-c4cccc(F)c4)n3)c(C)nc12)C(=O)OCC ZINC000035924631 569728043 /nfs/dbraw/zinc/72/80/43/569728043.db2.gz MWGRWMCZVQRTLK-QFIPXVFZSA-N 0 0 478.524 4.414 50 0 JIAARN CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cc(F)ccc4C)n3)c(=O)n12 ZINC000035924724 569728158 /nfs/dbraw/zinc/72/81/58/569728158.db2.gz IOLNGNRROHJCNC-UHFFFAOYSA-N 0 0 467.570 4.132 50 0 JIAARN CCOc1ccccc1-c1noc(-c2ccc3c(c2)[nH]c(=O)n(CCc2ccccc2)c3=O)n1 ZINC000095613883 569728240 /nfs/dbraw/zinc/72/82/40/569728240.db2.gz KCMKPKCQVGFAMM-UHFFFAOYSA-N 0 0 454.486 4.048 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NC4CCCCC4)n3c2=O)nn1-c1ccccc1F ZINC000035925754 569729148 /nfs/dbraw/zinc/72/91/48/569729148.db2.gz ZUUFWRWBGGDPLY-UHFFFAOYSA-N 0 0 479.581 4.356 50 0 JIAARN CCc1ccc(C(=O)N2CCN(c3nc(C4CCOCC4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035926004 569729404 /nfs/dbraw/zinc/72/94/04/569729404.db2.gz HJOHMAIDJSUPDL-UHFFFAOYSA-N 0 0 496.615 4.234 50 0 JIAARN CCN1CCN(C(=O)c2ccccc2CSc2nnc(C(C)C)n2-c2ccc(OC)cc2)CC1 ZINC000095925481 569730154 /nfs/dbraw/zinc/73/01/54/569730154.db2.gz JNVYYBXNJLGGBP-UHFFFAOYSA-N 0 0 479.650 4.469 50 0 JIAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccccc3OC)C2)c(OC)c1 ZINC000095945127 569730672 /nfs/dbraw/zinc/73/06/72/569730672.db2.gz WAHLESZNXJIRCI-QFIPXVFZSA-N 0 0 452.532 4.252 50 0 JIAARN COc1ccc(-c2nc(NCc3ccccn3)nc3nn(Cc4ccccc4)c(N)c32)c(F)c1 ZINC000035929061 569731286 /nfs/dbraw/zinc/73/12/86/569731286.db2.gz JUVVDRGGBINYMS-UHFFFAOYSA-N 0 0 455.497 4.279 50 0 JIAARN Cc1nc2ccc(NCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)cc2s1 ZINC000095950766 569731499 /nfs/dbraw/zinc/73/14/99/569731499.db2.gz IWRLURPCYLZRKX-UHFFFAOYSA-N 0 0 458.609 4.138 50 0 JIAARN COc1ccc(C2=N/C(=C/c3ccc(OCc4csc(C)n4)c(OC)c3)C(=O)O2)cc1OC ZINC000096019399 569731831 /nfs/dbraw/zinc/73/18/31/569731831.db2.gz KAIJBVAACLAGHJ-GIJQJNRQSA-N 0 0 466.515 4.401 50 0 JIAARN COc1ccc(C(=O)N(Cc2cc(NC(=O)C(C)C)ccc2N(C)C)C[C@@H]2CCCO2)cc1 ZINC000035944716 569732209 /nfs/dbraw/zinc/73/22/09/569732209.db2.gz ODKNGKYXRHIKJB-QHCPKHFHSA-N 0 0 453.583 4.177 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)NC(C)(C)C)cc1 ZINC000035945968 569733204 /nfs/dbraw/zinc/73/32/04/569733204.db2.gz UQKLARZCPGXHAT-OAQYLSRUSA-N 0 0 456.974 4.466 50 0 JIAARN Cc1ccc2cc([C@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(O)cc6)coc-5c43)c(=O)[nH]c2c1 ZINC000096114212 569733270 /nfs/dbraw/zinc/73/32/70/569733270.db2.gz KXBVRUIAQRIQRH-QGZVFWFLSA-N 0 0 481.460 4.462 50 0 biogenic JIAARN COCC(=O)Nc1ccc(N(C)C)c(CN(Cc2cccc(F)c2)C(=O)c2ccc(F)cc2)c1 ZINC000035946118 569733332 /nfs/dbraw/zinc/73/33/32/569733332.db2.gz IZFHNZJEHQKRFC-UHFFFAOYSA-N 0 0 467.516 4.458 50 0 JIAARN COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc2c1OCCO2 ZINC000096114305 569733534 /nfs/dbraw/zinc/73/35/34/569733534.db2.gz ZSZMOKPCYVEPRN-PXDATVDWSA-N 0 0 471.465 4.104 50 0 biogenic JIAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(C)C(=O)c2cccs2)cc1OC ZINC000035947048 569734159 /nfs/dbraw/zinc/73/41/59/569734159.db2.gz SCPLXSDLCLWNJL-FQEVSTJZSA-N 0 0 481.549 4.354 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@@H](c3ccccc3OC)C2)cc1 ZINC000035947724 569734766 /nfs/dbraw/zinc/73/47/66/569734766.db2.gz JQAJAJOYIGBKIU-JOCHJYFZSA-N 0 0 451.567 4.276 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000035947794 569734791 /nfs/dbraw/zinc/73/47/91/569734791.db2.gz UHWCTSPNDQUILW-XMMPIXPASA-N 0 0 479.577 4.039 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccc(F)c3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000035947843 569734993 /nfs/dbraw/zinc/73/49/93/569734993.db2.gz YRBZBRMTZLHISG-QHCPKHFHSA-N 0 0 489.503 4.013 50 0 JIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2cc3c(c(OC)c2)OCO3)cc1 ZINC000096116108 569735108 /nfs/dbraw/zinc/73/51/08/569735108.db2.gz GVMWCLOYHHNGHQ-OFVILXPXSA-N 0 0 487.464 4.071 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCC1 ZINC000035948290 569735191 /nfs/dbraw/zinc/73/51/91/569735191.db2.gz BUWWXCILKVJVMQ-HXUWFJFHSA-N 0 0 459.999 4.354 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc(OC)ccc1OC)C(=O)C1CCCC1 ZINC000035948605 569735499 /nfs/dbraw/zinc/73/54/99/569735499.db2.gz RNMQBEAHGVRYIH-QFIPXVFZSA-N 0 0 499.633 4.108 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(C)cc1)C(=O)NC(C)(C)C ZINC000035948828 569735561 /nfs/dbraw/zinc/73/55/61/569735561.db2.gz WLMASOSCOLPWRW-HSZRJFAPSA-N 0 0 468.573 4.268 50 0 JIAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cc3cccc4c3n(c2=O)CCC4)S1 ZINC000096117027 569735665 /nfs/dbraw/zinc/73/56/65/569735665.db2.gz NSTARALUXYCZIA-UTKZUKDTSA-N 0 0 464.591 4.454 50 0 JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000035948658 569735662 /nfs/dbraw/zinc/73/56/62/569735662.db2.gz WGJZOXGFTVHISR-QHCPKHFHSA-N 0 0 489.503 4.013 50 0 JIAARN COc1ccc(OC)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)NC(C)C)c1 ZINC000035949008 569735757 /nfs/dbraw/zinc/73/57/57/569735757.db2.gz ZSTZBQNEBVZPPD-NRFANRHFSA-N 0 0 472.973 4.085 50 0 JIAARN COC(=O)C[C@@H](c1ccc(Br)s1)c1c(=O)[nH][nH]c1Cc1ccc(OC)cc1 ZINC000096118354 569736113 /nfs/dbraw/zinc/73/61/13/569736113.db2.gz HPBRFIPFSJSGGU-ZDUSSCGKSA-N 0 0 451.342 4.234 50 0 JIAARN COC(=O)C[C@H](c1ccc(Br)s1)c1c(=O)[nH][nH]c1Cc1ccc(OC)cc1 ZINC000096118355 569736157 /nfs/dbraw/zinc/73/61/57/569736157.db2.gz HPBRFIPFSJSGGU-CYBMUJFWSA-N 0 0 451.342 4.234 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccc(F)c3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000035960436 569736356 /nfs/dbraw/zinc/73/63/56/569736356.db2.gz ALTHDWXUDVUQNT-RUZDIDTESA-N 0 0 475.520 4.293 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000035960434 569736381 /nfs/dbraw/zinc/73/63/81/569736381.db2.gz ZQRZDKJZIMDLKH-RUZDIDTESA-N 0 0 475.520 4.293 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1)C(=O)C(C)C ZINC000035960477 569736399 /nfs/dbraw/zinc/73/63/99/569736399.db2.gz RINOBICCAWLQJO-QHCPKHFHSA-N 0 0 471.985 4.157 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)cc1 ZINC000035960968 569736594 /nfs/dbraw/zinc/73/65/94/569736594.db2.gz GANDFLBANNJRFC-QHCPKHFHSA-N 0 0 481.593 4.285 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccc(F)c3)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000035961133 569736832 /nfs/dbraw/zinc/73/68/32/569736832.db2.gz PPXIHKJJHWISKC-XMMPIXPASA-N 0 0 475.520 4.293 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1Cl)C(=O)c1ccco1 ZINC000035962044 569737458 /nfs/dbraw/zinc/73/74/58/569737458.db2.gz OQPYUTQWCTZIGU-HSZRJFAPSA-N 0 0 495.963 4.408 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1Cl)C(=O)c1ccco1 ZINC000035962043 569737464 /nfs/dbraw/zinc/73/74/64/569737464.db2.gz OQPYUTQWCTZIGU-QHCPKHFHSA-N 0 0 495.963 4.408 50 0 JIAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)c2ccccc2F)c1 ZINC000035962745 569737668 /nfs/dbraw/zinc/73/76/68/569737668.db2.gz YCCBQPUFPQRNPK-XMMPIXPASA-N 0 0 493.510 4.432 50 0 JIAARN CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)Nc3ccc(F)cc3)C2)[C@@H](c2ccccc2)NC1=O ZINC000035964310 569738176 /nfs/dbraw/zinc/73/81/76/569738176.db2.gz RFVUVMHJQFZIDK-NFBKMPQASA-N 0 0 464.541 4.062 50 0 JIAARN CCN1CCc2cc(OC)c(OC)cc2[C@H]1[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000096211196 569738205 /nfs/dbraw/zinc/73/82/05/569738205.db2.gz MXXCEBUIIUISPG-PKTZIBPZSA-N 0 0 467.031 4.279 50 0 JIAARN CCN1C2=C(C(=O)N([C@H](C(=O)NCc3ccco3)c3ccccc3)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000035966292 569738407 /nfs/dbraw/zinc/73/84/07/569738407.db2.gz NEIQBFBXXNGNJU-UIOOFZCWSA-N 0 0 498.583 4.137 50 0 JIAARN Cn1c2ccccc2cc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)c1=O ZINC000096222928 569739832 /nfs/dbraw/zinc/73/98/32/569739832.db2.gz LSOWDMBICCCUDK-LJQANCHMSA-N 0 0 465.461 4.459 50 0 biogenic JIAARN Cc1c(N2C(=O)c3cccc4c(N5CCCCC5)ccc(c43)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000096558685 569741087 /nfs/dbraw/zinc/74/10/87/569741087.db2.gz MGKQCNSOZTWZRO-UHFFFAOYSA-N 0 0 466.541 4.429 50 0 JIAARN CC[C@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccccc1C ZINC000035987583 569743427 /nfs/dbraw/zinc/74/34/27/569743427.db2.gz FZGYGYVGVPFNDV-CVDCTZTESA-N 0 0 498.023 4.037 50 0 JIAARN CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccccc1C ZINC000035987459 569743457 /nfs/dbraw/zinc/74/34/57/569743457.db2.gz XXPZIAISMFJYQR-AUSIDOKSSA-N 0 0 498.023 4.037 50 0 JIAARN CCc1nn(-c2ccc(C)cc2)c2sc(C(=O)NCCNC(=O)c3ccccc3F)cc12 ZINC000035989044 569743805 /nfs/dbraw/zinc/74/38/05/569743805.db2.gz VYWXGZPVHMSGEE-UHFFFAOYSA-N 0 0 450.539 4.257 50 0 JIAARN CCc1ccc(-c2nc(C(=O)N3CCN([C@H](C(=O)OC)c4ccc(F)cc4)CC3)cs2)cc1 ZINC000096936856 569743839 /nfs/dbraw/zinc/74/38/39/569743839.db2.gz RJJYJPQGQVRTPN-QFIPXVFZSA-N 0 0 467.566 4.184 50 0 JIAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)nc(N3CCN(C(=O)c4ccccc4Cl)CC3)c12 ZINC000035990290 569744107 /nfs/dbraw/zinc/74/41/07/569744107.db2.gz SXSUPPBWVLZQGX-UHFFFAOYSA-N 0 0 464.932 4.187 50 0 JIAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C4CCCC4)CC3)c(C(=O)N3CCCC3)c2)cc1 ZINC000035993089 569745228 /nfs/dbraw/zinc/74/52/28/569745228.db2.gz HUOCTQDESAJPIN-UHFFFAOYSA-N 0 0 488.632 4.322 50 0 JIAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C(=O)N2CCCC2)c1)C1CCC1 ZINC000035993098 569745336 /nfs/dbraw/zinc/74/53/36/569745336.db2.gz QYTRNSWRWAANMF-UHFFFAOYSA-N 0 0 495.023 4.277 50 0 JIAARN Cc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(C/C=C\c2ccccc2)c4=O)cc1C ZINC000097568053 569745510 /nfs/dbraw/zinc/74/55/10/569745510.db2.gz RQGSSKNXCBSWOM-IBWPDUFMSA-N 0 0 455.562 4.015 50 0 JIAARN Cc1ccc(Cl)cc1N1CCCn2c3c(nc21)n(C)c(=O)n(C/C=C\c1ccccc1)c3=O ZINC000097568690 569745524 /nfs/dbraw/zinc/74/55/24/569745524.db2.gz BNKDEPDQVWJSDN-POHAHGRESA-N 0 0 461.953 4.114 50 0 JIAARN COC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccc(F)cc2)C(=O)c2ccc(OC)cc2)c1C ZINC000036000860 569745792 /nfs/dbraw/zinc/74/57/92/569745792.db2.gz RNURRBBSBJNKSM-UHFFFAOYSA-N 0 0 452.482 4.091 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036001200 569745876 /nfs/dbraw/zinc/74/58/76/569745876.db2.gz WISIYOQNHZLOME-UHFFFAOYSA-N 0 0 497.615 4.190 50 0 JIAARN Cc1cccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)nc3cccnc32)c1 ZINC000097937947 569745924 /nfs/dbraw/zinc/74/59/24/569745924.db2.gz SVJCCLGSHQZPAE-UHFFFAOYSA-N 0 0 499.999 4.028 50 0 JIAARN COCc1nc2c(c(C)nn2-c2ccccc2)c(NC2CCC(NC(=O)c3cccs3)CC2)n1 ZINC000036001973 569746035 /nfs/dbraw/zinc/74/60/35/569746035.db2.gz FCVWLMNLKFBSLJ-UHFFFAOYSA-N 0 0 476.606 4.485 50 0 JIAARN CCc1nc2c(cnn2-c2ccc(C)cc2)c(N2CCCN(C(=O)c3ccccc3F)CC2)n1 ZINC000036001953 569746044 /nfs/dbraw/zinc/74/60/44/569746044.db2.gz RNIIRGCWNPQQMO-UHFFFAOYSA-N 0 0 458.541 4.178 50 0 JIAARN Cc1ccc(-c2cc(C(=O)N(CCC(=O)NCc3ccc4c(c3)OCO4)CC(C)C)no2)cc1C ZINC000036001656 569746067 /nfs/dbraw/zinc/74/60/67/569746067.db2.gz AYMZTLSUHFJIQH-UHFFFAOYSA-N 0 0 477.561 4.492 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(Cc2ccco2)C(=O)c2ccc(OC)cc2)c1C ZINC000036004324 569746852 /nfs/dbraw/zinc/74/68/52/569746852.db2.gz JABFHDKTQNPWGD-QGZVFWFLSA-N 0 0 452.507 4.324 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CCc2ccccn2)C(=O)c2cccc(F)c2)c1C ZINC000036004302 569746856 /nfs/dbraw/zinc/74/68/56/569746856.db2.gz QWEOGMUWXZKWLW-GOSISDBHSA-N 0 0 465.525 4.299 50 0 JIAARN COC(=O)c1c(C)c(C(=O)CN(Cc2ccc(F)cc2)C(=O)c2ccc(OC)cc2)c(C)n1C ZINC000036006374 569747497 /nfs/dbraw/zinc/74/74/97/569747497.db2.gz GKRJCMMMVQYDTM-UHFFFAOYSA-N 0 0 466.509 4.102 50 0 JIAARN O=C(c1csc(Nc2cccc(Cl)c2Cl)n1)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000036010193 569748085 /nfs/dbraw/zinc/74/80/85/569748085.db2.gz BZXSGYOPESPPPO-MRXNPFEDSA-N 0 0 469.394 4.047 50 0 JIAARN COc1ccc(OC)c(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)NC(C)C)no2)c1 ZINC000036012738 569748295 /nfs/dbraw/zinc/74/82/95/569748295.db2.gz GLRKJLHBOZOYAG-UHFFFAOYSA-N 0 0 453.495 4.208 50 0 JIAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)CN(Cc3ccc(F)cc3)C(=O)C(C)C)cc2)CC1 ZINC000036013119 569748377 /nfs/dbraw/zinc/74/83/77/569748377.db2.gz OFBZPYBHVAUJIP-UHFFFAOYSA-N 0 0 496.627 4.144 50 0 JIAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C\c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000097986330 569748524 /nfs/dbraw/zinc/74/85/24/569748524.db2.gz NAZMBPUGMMKVNL-PFONDFGASA-N 0 0 477.540 4.087 50 0 JIAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)C(C)C ZINC000036013522 569748599 /nfs/dbraw/zinc/74/85/99/569748599.db2.gz AYCSKMSRKUQAQU-UHFFFAOYSA-N 0 0 483.588 4.013 50 0 JIAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)cc1)C(=O)c1ccc(C)cc1 ZINC000036016514 569749264 /nfs/dbraw/zinc/74/92/64/569749264.db2.gz DNWDUOBWTCADAH-UHFFFAOYSA-N 0 0 493.652 4.116 50 0 JIAARN CCC(=O)Nc1ccc(N2CCCN(C(=O)C3CCCC3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019271 569749783 /nfs/dbraw/zinc/74/97/83/569749783.db2.gz IYWWJVUKYCEYRZ-UHFFFAOYSA-N 0 0 494.611 4.333 50 0 JIAARN O=C(Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(C(=O)N2CCCCC2)c1)c1ccccc1 ZINC000036019402 569749880 /nfs/dbraw/zinc/74/98/80/569749880.db2.gz LUNYLKTYYYVLJT-UHFFFAOYSA-N 0 0 488.632 4.404 50 0 JIAARN O=C(Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(C(=O)N2CCCCC2)c1)c1cccs1 ZINC000036019398 569749903 /nfs/dbraw/zinc/74/99/03/569749903.db2.gz KDIQFIRSNYGKSM-UHFFFAOYSA-N 0 0 494.661 4.465 50 0 JIAARN COCc1nc2c(c(C)nn2-c2cccc(Cl)c2)c(NC2CCC(NC(=O)C3CC3)CC2)n1 ZINC000036019715 569750077 /nfs/dbraw/zinc/75/00/77/569750077.db2.gz HXUDEWTZKYOJSV-UHFFFAOYSA-N 0 0 468.989 4.173 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cl)cc2)c(C)n1CC ZINC000036021081 569750138 /nfs/dbraw/zinc/75/01/38/569750138.db2.gz ARDCVNRXUYWMRY-FQEVSTJZSA-N 0 0 474.985 4.459 50 0 JIAARN COc1cc2c(cc1OC)[C@H](CNC(=O)c1cccs1)N(C(=O)Nc1cccc(F)c1)CC2 ZINC000036021781 569750230 /nfs/dbraw/zinc/75/02/30/569750230.db2.gz QXTMFCRCYVALAU-IBGZPJMESA-N 0 0 469.538 4.466 50 0 JIAARN CC[C@@H](C)[C@@H]1NC2(CCN(C(=S)NC(C)C)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000036027960 569751123 /nfs/dbraw/zinc/75/11/23/569751123.db2.gz BYKOEOQZZGCOQN-APWZRJJASA-N 0 0 470.605 4.127 50 0 JIAARN CN(Cc1ccccc1)c1cc(C(C)(C)C)nc(SCc2ccc(C(=O)NN3CCOCC3)o2)n1 ZINC000036029970 569751432 /nfs/dbraw/zinc/75/14/32/569751432.db2.gz OFACTVXCGSJIHE-UHFFFAOYSA-N 0 0 495.649 4.273 50 0 JIAARN Cc1ccc(CS(=O)(=O)c2ncc(CN(C(=O)C3CC3)C(C)C)n2Cc2ccccc2)cc1 ZINC000036030448 569751619 /nfs/dbraw/zinc/75/16/19/569751619.db2.gz OFNUCIVRYQMRQL-UHFFFAOYSA-N 0 0 465.619 4.361 50 0 JIAARN CC(C)Cn1c(CN(CC2CC2)C(=O)NC(C)C)cnc1S(=O)(=O)Cc1cccc(Cl)c1 ZINC000036031447 569751996 /nfs/dbraw/zinc/75/19/96/569751996.db2.gz XUUPYOWGLZHBKB-UHFFFAOYSA-N 0 0 481.062 4.496 50 0 JIAARN CCNC(=O)c1ccc(CSc2nc(C)cc(N(C)CCc3ccc(OC)c(OC)c3)n2)o1 ZINC000036038914 569752513 /nfs/dbraw/zinc/75/25/13/569752513.db2.gz MMRFUCGJQFHLAS-UHFFFAOYSA-N 0 0 470.595 4.116 50 0 JIAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C[C@H]3CCCO3)C(=O)c3ccco3)n2CC(C)C)c1 ZINC000036039655 569752575 /nfs/dbraw/zinc/75/25/75/569752575.db2.gz JVSFSXJNDFTUNL-HSZRJFAPSA-N 0 0 499.633 4.236 50 0 JIAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C(=O)c3ccco3)C3CC3)n2CC(C)C)c1 ZINC000036039643 569752604 /nfs/dbraw/zinc/75/26/04/569752604.db2.gz JCWXECNLDIAJPS-UHFFFAOYSA-N 0 0 455.580 4.219 50 0 JIAARN CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1CC(C)C)C(=O)c1cccc(OC)c1 ZINC000036039642 569752624 /nfs/dbraw/zinc/75/26/24/569752624.db2.gz PSERXCQSUXNWNG-UHFFFAOYSA-N 0 0 483.634 4.492 50 0 JIAARN O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000036039817 569752718 /nfs/dbraw/zinc/75/27/18/569752718.db2.gz LHOJULYSORPUEO-CJFMBICVSA-N 0 0 492.576 4.009 50 0 JIAARN O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000036039819 569752725 /nfs/dbraw/zinc/75/27/25/569752725.db2.gz LHOJULYSORPUEO-NBGIEHNGSA-N 0 0 492.576 4.009 50 0 JIAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(CC2CC2)C(=S)NC2CC2)n1CC(C)C ZINC000036040652 569753217 /nfs/dbraw/zinc/75/32/17/569753217.db2.gz YXCGWBPZHHZUMK-UHFFFAOYSA-N 0 0 474.696 4.070 50 0 JIAARN CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C(C)C ZINC000036040694 569753356 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O=C(c1ccccc1F)N1CCCN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CC1 ZINC000037554595 569794846 /nfs/dbraw/zinc/79/48/46/569794846.db2.gz HHHLBFUEYSJNTB-UHFFFAOYSA-N 0 0 472.549 4.498 50 0 JIAARN CC(=O)N1CCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)/C=C/c3ccccc3)c2)CC1 ZINC000037600493 569796893 /nfs/dbraw/zinc/79/68/93/569796893.db2.gz HHHTXPGDMFVHQY-FOCLMDBBSA-N 0 0 481.596 4.166 50 0 JIAARN CCCNC(=O)c1csc(COc2ccc3c(c2)[C@@H](c2ccc(F)cc2)N(C(C)=O)CC3)n1 ZINC000037603028 569797705 /nfs/dbraw/zinc/79/77/05/569797705.db2.gz QFZDSWMKSLMPPX-XMMPIXPASA-N 0 0 467.566 4.495 50 0 JIAARN CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[n-]c1=S ZINC000101497514 569800713 /nfs/dbraw/zinc/80/07/13/569800713.db2.gz NNBBJEOQUSYCLI-SFHVURJKSA-N 0 0 499.681 4.490 50 0 JIAARN O=C(OC[C@H]1OC=C[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000038290416 569801236 /nfs/dbraw/zinc/80/12/36/569801236.db2.gz OZFFEFRJEYIEGH-SMIHKQSGSA-N 0 0 458.466 4.207 50 0 JIAARN 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Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000012812413 195145007 /nfs/dbraw/zinc/14/50/07/195145007.db2.gz IFAUDBMTBZRGHU-UHFFFAOYSA-N 0 0 460.303 4.408 50 0 JIAARN CN1CCCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c2nc3ccccc3nc21 ZINC000012812871 195145280 /nfs/dbraw/zinc/14/52/80/195145280.db2.gz VFNUAMLADXYECA-UHFFFAOYSA-N 0 0 461.529 4.364 50 0 JIAARN CC(=O)c1cc2c(cc1NC(=O)Cn1cnc3scc(-c4ccc(C)c(C)c4)c3c1=O)OCO2 ZINC000012814150 195146108 /nfs/dbraw/zinc/14/61/08/195146108.db2.gz WIRMSEAWVHOLSO-UHFFFAOYSA-N 0 0 475.526 4.312 50 0 JIAARN O=C(Nc1cc2c(cc1Cl)OCO2)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000012815848 195146819 /nfs/dbraw/zinc/14/68/19/195146819.db2.gz DOASBKNRENFWBS-UHFFFAOYSA-N 0 0 490.887 4.127 50 0 JIAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 ZINC000012819795 195148971 /nfs/dbraw/zinc/14/89/71/195148971.db2.gz ZKQJHMGVVLRBQJ-UHFFFAOYSA-N 0 0 483.659 4.460 50 0 JIAARN C[C@H](Oc1ccc(-c2nc3ccccc3s2)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012821287 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O=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012882903 195169468 /nfs/dbraw/zinc/16/94/68/195169468.db2.gz LTVRASJLASICES-UHFFFAOYSA-N 0 0 481.599 4.388 50 0 JIAARN COc1ccc(C(NC(=O)CN2CC=C(c3ccc(O)cc3)CC2)c2ccc(OC)cc2)cc1 ZINC000012888649 195171561 /nfs/dbraw/zinc/17/15/61/195171561.db2.gz UDTVBXWTPYIYTA-UHFFFAOYSA-N 0 0 458.558 4.404 50 0 JIAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCCc1ccccc1 ZINC000012889093 195171856 /nfs/dbraw/zinc/17/18/56/195171856.db2.gz MQJIDHWFMDIVBJ-PQRZKXTNSA-N 0 0 493.673 4.315 50 0 biogenic JIAARN O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000012889903 195172251 /nfs/dbraw/zinc/17/22/51/195172251.db2.gz ZHOKQTMUQVBUJO-UHFFFAOYSA-N 0 0 487.796 4.203 50 0 JIAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)oc1c3CCCC1 ZINC000012890485 195172574 /nfs/dbraw/zinc/17/25/74/195172574.db2.gz KLZYCJKBUPVEKO-MOPGFXCFSA-N 0 0 498.579 4.467 50 0 biogenic JIAARN COc1ccc(CN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)C2CC2)cc1 ZINC000012894761 195174865 /nfs/dbraw/zinc/17/48/65/195174865.db2.gz HOVZKYRZICPQHH-UHFFFAOYSA-N 0 0 464.587 4.287 50 0 JIAARN C[C@@H]1CCc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000012863131 195160203 /nfs/dbraw/zinc/16/02/03/195160203.db2.gz YVSUYFWMSBLHJE-LJQANCHMSA-N 0 0 452.620 4.334 50 0 JIAARN COc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4ccc(Br)cc4F)CC3=O)c2c1 ZINC000012863291 195160307 /nfs/dbraw/zinc/16/03/07/195160307.db2.gz YZJHUHDASAZFLY-CQSZACIVSA-N 0 0 474.330 4.108 50 0 JIAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)Nc4sc5c(c4C(N)=O)CCC5)o3)cc2C1 ZINC000012864958 195161153 /nfs/dbraw/zinc/16/11/53/195161153.db2.gz NMMGJXJEMCPYAQ-SNVBAGLBSA-N 0 0 474.633 4.303 50 0 JIAARN O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O)NCc1ccccc1 ZINC000020643184 195194214 /nfs/dbraw/zinc/19/42/14/195194214.db2.gz MVDVCHRABHTXQO-JOCHJYFZSA-N 0 0 472.545 4.424 50 0 JIAARN CC(C)n1ncc2cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cnc21 ZINC000012901398 195177617 /nfs/dbraw/zinc/17/76/17/195177617.db2.gz CMZGLSJRYVQAOH-UHFFFAOYSA-N 0 0 453.852 4.395 50 0 JIAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CSc1nnc(C)s1 ZINC000012904097 195178755 /nfs/dbraw/zinc/17/87/55/195178755.db2.gz QOLIJCNBOPHEIW-UHFFFAOYSA-N 0 0 479.605 4.500 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)ccc1F ZINC000012904057 195178786 /nfs/dbraw/zinc/17/87/86/195178786.db2.gz ZCWJDTQHXMOINM-UHFFFAOYSA-N 0 0 481.545 4.467 50 0 JIAARN CN1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c2nc3ccccc3nc21 ZINC000012904733 195179040 /nfs/dbraw/zinc/17/90/40/195179040.db2.gz WGYCVJYVBCJWDJ-SFHVURJKSA-N 0 0 463.969 4.009 50 0 JIAARN C[C@@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000012906395 195179877 /nfs/dbraw/zinc/17/98/77/195179877.db2.gz OQDNYRUILUGRJW-OAHLLOKOSA-N 0 0 457.548 4.349 50 0 JIAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F ZINC000012907239 195180375 /nfs/dbraw/zinc/18/03/75/195180375.db2.gz CGTQVIKOTDUSKY-UHFFFAOYSA-N 0 0 496.165 4.008 50 0 JIAARN Cc1nn(C)c(C)c1Cn1nc(C)c(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c1C ZINC000020607003 195181264 /nfs/dbraw/zinc/18/12/64/195181264.db2.gz IJMDFVWLQCGLGU-UHFFFAOYSA-N 0 0 465.505 4.118 50 0 JIAARN CC[C@H](C(=O)NC[C@@H](C)Cn1nc(C(F)(F)F)cc1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607597 195181724 /nfs/dbraw/zinc/18/17/24/195181724.db2.gz HCBKZKPOAJRTTN-BXUZGUMPSA-N 0 0 465.442 4.318 50 0 JIAARN CCn1cc(CN(Cc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)c(C)c2)c(C)n1 ZINC000020608277 195181983 /nfs/dbraw/zinc/18/19/83/195181983.db2.gz WSKRCMBJMIVQNX-UHFFFAOYSA-N 0 0 457.596 4.237 50 0 JIAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1)c1c(F)cccc1F ZINC000020614545 195186713 /nfs/dbraw/zinc/18/67/13/195186713.db2.gz VNRJFLHKNBBYQI-QFIPXVFZSA-N 0 0 483.490 4.126 50 0 JIAARN Cc1ncc(CO)c2cc(C(=O)Nc3ccc(F)cc3F)/c(=N/c3ccc4c(c3)OCO4)oc12 ZINC000020617112 195188944 /nfs/dbraw/zinc/18/89/44/195188944.db2.gz WCYOLKQLYSVGSG-COOPMVRXSA-N 0 0 465.412 4.120 50 0 JIAARN CCc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(C(=O)OC)cc2)c1 ZINC000020617222 195188988 /nfs/dbraw/zinc/18/89/88/195188988.db2.gz GGOATPTVRJLYHF-BXVZCJGGSA-N 0 0 471.513 4.462 50 0 JIAARN CCOC(=O)c1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2OC)cc1 ZINC000020617356 195189324 /nfs/dbraw/zinc/18/93/24/195189324.db2.gz MXJSYWLEJDQNOH-WCTVFOPTSA-N 0 0 487.512 4.299 50 0 JIAARN Cn1cc(CN(CCCN2CCOCC2)C(=S)Nc2cc(F)cc(F)c2)c2ccccc21 ZINC000020676588 195201043 /nfs/dbraw/zinc/20/10/43/195201043.db2.gz MSQSFPDSBWTFCC-UHFFFAOYSA-N 0 0 458.578 4.378 50 0 JIAARN Cn1c(CN2CCN(C(=O)c3ccccc3)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000020677094 195201908 /nfs/dbraw/zinc/20/19/08/195201908.db2.gz ITYNWRQPKSKDTC-UHFFFAOYSA-N 0 0 459.594 4.050 50 0 JIAARN COc1ccc(CN2C(=O)[C@@](NC(=O)c3ccc(F)cc3)(C(F)(F)F)N=C2c2ccccc2)cc1 ZINC000020808292 195228987 /nfs/dbraw/zinc/22/89/87/195228987.db2.gz GNCXDRXJCUANFQ-XMMPIXPASA-N 0 0 485.437 4.312 50 0 JIAARN CCc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc4ncsc4c3)sc2c1 ZINC000020743141 195214571 /nfs/dbraw/zinc/21/45/71/195214571.db2.gz GBTYKKHQRPTADJ-UHFFFAOYSA-N 0 0 452.605 4.447 50 0 JIAARN COc1ccccc1NC(=O)Cn1cnc2sc(C(=O)Nc3ccc(C)c(F)c3)c(C)c2c1=O ZINC000020756692 195215990 /nfs/dbraw/zinc/21/59/90/195215990.db2.gz WCPLSWVXZIKCRH-UHFFFAOYSA-N 0 0 480.521 4.114 50 0 JIAARN Cc1oc2c(cc3c(C)c(CC(=O)N4CCN(CCc5ccccn5)CC4)c(=O)oc3c2C)c1C ZINC000020759580 195217211 /nfs/dbraw/zinc/21/72/11/195217211.db2.gz PJONDPZKMRWHRO-UHFFFAOYSA-N 0 0 473.573 4.097 50 0 biogenic JIAARN COc1cc(NC(=O)c2cnc3scc(-c4ccc(F)cc4)n3c2=O)c(OC)cc1Cl ZINC000020767964 195223049 /nfs/dbraw/zinc/22/30/49/195223049.db2.gz WBHFCNOUTBCOEW-UHFFFAOYSA-N 0 0 459.886 4.485 50 0 JIAARN Cn1c2[nH]c(-c3ccc(Cl)cc3)c(-c3c(=O)[nH]c(=S)n(C)c3-n3cccc3)c2c(=O)[nH]c1=S ZINC000020896809 195240074 /nfs/dbraw/zinc/24/00/74/195240074.db2.gz KAWNXGCFRGSCHX-UHFFFAOYSA-N 0 0 497.005 4.459 50 0 JIAARN COc1ccc(-c2c3c(c4n2-c2ccccc2N[C@@H]4c2cccc(OC)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000020898612 195240629 /nfs/dbraw/zinc/24/06/29/195240629.db2.gz PPDJYCSZKYXIBO-XMMPIXPASA-N 0 0 494.551 4.227 50 0 JIAARN COc1ccc(-c2c3c(c4n2-c2ccccc2N[C@H]4c2cccc(OC)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000020898610 195240676 /nfs/dbraw/zinc/24/06/76/195240676.db2.gz PPDJYCSZKYXIBO-DEOSSOPVSA-N 0 0 494.551 4.227 50 0 JIAARN Cn1c2c(c(-c3ccccc3)n3c2[C@H](c2ccc(F)cc2)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000020898539 195240689 /nfs/dbraw/zinc/24/06/89/195240689.db2.gz AIRWQVHAGWAKME-QFIPXVFZSA-N 0 0 452.489 4.349 50 0 JIAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)Nc3ccc(C(C)C)cc3)C(C)C)cc2C[C@H]1C ZINC000020922659 195248315 /nfs/dbraw/zinc/24/83/15/195248315.db2.gz HCIJKYSUAKEATI-OSPHWJPCSA-N 0 0 471.623 4.049 50 0 JIAARN O=C(CCc1ccc2c(c1)OCO2)NCCN1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000020913738 195246152 /nfs/dbraw/zinc/24/61/52/195246152.db2.gz FXBAAWCHYWAOSZ-DEOSSOPVSA-N 0 0 450.560 4.162 50 0 JIAARN O=C(Cc1ccsc1)N1CCC(Oc2cccc(CN3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000020918982 195247182 /nfs/dbraw/zinc/24/71/82/195247182.db2.gz FYOFAJOHFWCHKA-UHFFFAOYSA-N 0 0 490.673 4.073 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020889223 195236802 /nfs/dbraw/zinc/23/68/02/195236802.db2.gz PTPZCOTXDMXKCU-UHFFFAOYSA-N 0 0 464.543 4.175 50 0 JIAARN O=C(c1ccco1)N1CCC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000020892736 195237809 /nfs/dbraw/zinc/23/78/09/195237809.db2.gz OGYQDBCMLJLSSI-UHFFFAOYSA-N 0 0 457.574 4.066 50 0 JIAARN CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)c4cccs4)ccc3n2C(C)C)CC1 ZINC000020893440 195238041 /nfs/dbraw/zinc/23/80/41/195238041.db2.gz PSOWDKRUYXJIAD-UHFFFAOYSA-N 0 0 455.584 4.205 50 0 JIAARN CCOC(=O)N1CCN(C(=O)c2sc(-n3nc(C)c(Cc4ccc(C)cc4)c3C)nc2C)CC1 ZINC000020893580 195238304 /nfs/dbraw/zinc/23/83/04/195238304.db2.gz VEMBLOVIPYBAJP-UHFFFAOYSA-N 0 0 481.622 4.068 50 0 JIAARN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1cccc(Cl)c1C ZINC000020932151 195251618 /nfs/dbraw/zinc/25/16/18/195251618.db2.gz QEIKXQBOMQVJMU-HXUWFJFHSA-N 0 0 460.958 4.157 50 0 JIAARN COc1ccccc1S(=O)(=O)Cc1nc(-c2ccc(C(=O)NCc3ccco3)cc2)oc1C ZINC000020935119 195252565 /nfs/dbraw/zinc/25/25/65/195252565.db2.gz PZBCAZPOHNZSSQ-UHFFFAOYSA-N 0 0 466.515 4.156 50 0 JIAARN O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1ccc(F)c(F)c1 ZINC000020937234 195253296 /nfs/dbraw/zinc/25/32/96/195253296.db2.gz FQVSUHDICUUPHB-UHFFFAOYSA-N 0 0 462.431 4.407 50 0 JIAARN COCCn1c(C)cc(=O)c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1CC1CCCC1 ZINC000020999377 195265399 /nfs/dbraw/zinc/26/53/99/195265399.db2.gz WMGLBPREYGRBFN-MDWZMJQESA-N 0 0 477.649 4.007 50 0 JIAARN Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1NC(=O)C1=CSCCO1 ZINC000021019593 195267288 /nfs/dbraw/zinc/26/72/88/195267288.db2.gz HSQXXPVFVIKQIE-UHFFFAOYSA-N 0 0 457.983 4.154 50 0 JIAARN Fc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2ccc(Br)cc2)C3)CC1 ZINC000021040098 195270630 /nfs/dbraw/zinc/27/06/30/195270630.db2.gz VEWZDMQGCNTCBL-UHFFFAOYSA-N 0 0 482.401 4.263 50 0 JIAARN Fc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2ccc(Cl)c(F)c2)C3)CC1 ZINC000021040184 195270677 /nfs/dbraw/zinc/27/06/77/195270677.db2.gz ZWLMOLBFVXGHOH-UHFFFAOYSA-N 0 0 455.940 4.293 50 0 JIAARN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2ccc(C)cc2Br)c(C)n1C ZINC000021030353 195269816 /nfs/dbraw/zinc/26/98/16/195269816.db2.gz BUUHMHASZSHPQN-UHFFFAOYSA-N 0 0 482.444 4.386 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000021036923 195270001 /nfs/dbraw/zinc/27/00/01/195270001.db2.gz FNMOMSMNFVIALR-NRFANRHFSA-N 0 0 482.949 4.416 50 0 JIAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N21)NCc1ccc(F)cc1 ZINC000021053051 195273272 /nfs/dbraw/zinc/27/32/72/195273272.db2.gz ZWRSFQOMKUEWCA-QFIPXVFZSA-N 0 0 458.518 4.207 50 0 JIAARN CCOc1ccc(CCNC(=O)CN2c3ccccc3-n3cccc3SCC2=O)cc1OCC ZINC000021088662 195273890 /nfs/dbraw/zinc/27/38/90/195273890.db2.gz UWFVIKZGDHKYDQ-UHFFFAOYSA-N 0 0 479.602 4.072 50 0 JIAARN O=C(CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O)Nc1cccc(C(F)(F)F)c1 ZINC000021096225 195275709 /nfs/dbraw/zinc/27/57/09/195275709.db2.gz NYVGPJDXDJFQGP-UHFFFAOYSA-N 0 0 459.449 4.101 50 0 JIAARN Cc1cc(C)c2c(=O)nc(SCc3cc(=O)n4ccccc4n3)n(-c3cccc(C)c3C)c2n1 ZINC000021098587 195276056 /nfs/dbraw/zinc/27/60/56/195276056.db2.gz WCJSFINYGROCJI-UHFFFAOYSA-N 0 0 469.570 4.315 50 0 JIAARN CCOC(=O)c1cnn(-c2ccc(C(=O)NCCSC34CC5CC(CC(C5)C3)C4)cc2)c1N ZINC000021115442 195278422 /nfs/dbraw/zinc/27/84/22/195278422.db2.gz FFHZIUBMQAOUEV-UHFFFAOYSA-N 0 0 468.623 4.063 50 0 JIAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1)C(=O)N1CCC(C)CC1 ZINC000021140104 195281072 /nfs/dbraw/zinc/28/10/72/195281072.db2.gz ZQNOJYKGZFWDDI-QZTJIDSGSA-N 0 0 453.612 4.345 50 0 JIAARN CCc1ccccc1NC(=O)Cn1cc(C(=O)c2ccc(OC)cc2)c(=O)c2ccc(C)nc21 ZINC000021151398 195282714 /nfs/dbraw/zinc/28/27/14/195282714.db2.gz RIDSIUHYOHKFOU-UHFFFAOYSA-N 0 0 455.514 4.146 50 0 JIAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3OC)c(=O)c3ccc(C)nc32)cc1Cl ZINC000021151586 195282983 /nfs/dbraw/zinc/28/29/83/195282983.db2.gz FZODGLAMUJFZFN-UHFFFAOYSA-N 0 0 491.931 4.245 50 0 JIAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000021153685 195284227 /nfs/dbraw/zinc/28/42/27/195284227.db2.gz UTNRSOKMBJITFT-HHHXNRCGSA-N 0 0 471.582 4.332 50 0 JIAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000021158782 195285777 /nfs/dbraw/zinc/28/57/77/195285777.db2.gz QHQAZMPLMDFARA-UHFFFAOYSA-N 0 0 486.547 4.485 50 0 JIAARN O=C(C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1)N1CCN(c2ccccn2)CC1 ZINC000021158764 195285915 /nfs/dbraw/zinc/28/59/15/195285915.db2.gz HFPDTIANKZQLCV-UHFFFAOYSA-N 0 0 498.606 4.184 50 0 JIAARN COc1ccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2ccccc2Cl)n(C)c(=O)n(C)c3=O)cc1 ZINC000021176408 195290062 /nfs/dbraw/zinc/29/00/62/195290062.db2.gz VAOUYVCYKCUWPX-QHCPKHFHSA-N 0 0 479.964 4.222 50 0 JIAARN Cc1ccc(C)c(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2ccccc2)c1 ZINC000021223920 195291399 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COc1cc([C@H]2c3cnn(C(C)(C)C)c3N=C3NC(=O)N(c4ccccc4)[C@H]32)c(OC)c2c1OCO2 ZINC000066091498 522970928 /nfs/dbraw/zinc/97/09/28/522970928.db2.gz IJCFBPGPJOLKPS-OALUTQOASA-N 0 0 489.532 4.158 50 0 JIAARN CN(CCc1noc(-c2ccc(C(=O)N3CCCC3)cc2)n1)C(=O)c1ccccc1Br ZINC000033273600 522995682 /nfs/dbraw/zinc/99/56/82/522995682.db2.gz GINFFSDDCOMZGQ-UHFFFAOYSA-N 0 0 483.366 4.050 50 0 JIAARN COc1cc2c(cc1-c1nnc(SCC(=O)c3cn(C)c4ccccc34)n1C)OCCCO2 ZINC000015867247 522995824 /nfs/dbraw/zinc/99/58/24/522995824.db2.gz BOTDCJAAUXVJSD-UHFFFAOYSA-N 0 0 464.547 4.119 50 0 JIAARN CN(CCc1noc(-c2ccc(C(=O)N3CCCC3)cc2)n1)C(=O)Nc1ccc(Br)cc1 ZINC000033277990 522996722 /nfs/dbraw/zinc/99/67/22/522996722.db2.gz NHVSMSVHAKHMTQ-UHFFFAOYSA-N 0 0 498.381 4.442 50 0 JIAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1 ZINC000012737941 523074292 /nfs/dbraw/zinc/07/42/92/523074292.db2.gz MIQNAQXDFXUVFM-UHFFFAOYSA-N 0 0 463.559 4.371 50 0 JIAARN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)N1CC=C(c2ccccc2)CC1 ZINC000035461596 523079052 /nfs/dbraw/zinc/07/90/52/523079052.db2.gz DYKWNMLOCYQYRN-UHFFFAOYSA-N 0 0 467.547 4.095 50 0 JIAARN COc1ccc(-c2c3c(c4n2-c2ccccc2N[C@@H]4c2cccc(F)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000021659112 523079883 /nfs/dbraw/zinc/07/98/83/523079883.db2.gz JHAVTQFXZUHHTE-HSZRJFAPSA-N 0 0 482.515 4.358 50 0 JIAARN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)N3CCOCC3)c3c(C)noc3n2)cc1 ZINC000036613739 523094809 /nfs/dbraw/zinc/09/48/09/523094809.db2.gz QOJAKNXOOXTJGB-DEOSSOPVSA-N 0 0 472.545 4.010 50 0 JIAARN CCn1c(=O)c(-c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)nc2cccnc21 ZINC000033170279 523095945 /nfs/dbraw/zinc/09/59/45/523095945.db2.gz IBVDTGPDUMXTQZ-UHFFFAOYSA-N 0 0 452.436 4.427 50 0 JIAARN CCn1c(=O)c2snc(-c3ccccc3)c2nc1SCC(=O)N1CCOc2ccc(C)cc21 ZINC000033300258 523108408 /nfs/dbraw/zinc/10/84/08/523108408.db2.gz WJOJEHRWZWBXMV-UHFFFAOYSA-N 0 0 478.599 4.366 50 0 JIAARN COc1ccc(-c2cc3c(=O)[nH]nc(SCc4cccc(C(F)(F)F)c4)n3n2)cc1OC ZINC000045971973 523116627 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CCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCCN4CCOCC4)c3)C2)cc1 ZINC000033035568 523979614 /nfs/dbraw/zinc/97/96/14/523979614.db2.gz PLLPKBHUACHKBL-RUZDIDTESA-N 0 0 478.637 4.113 50 0 JIAARN CCc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000033252031 523988377 /nfs/dbraw/zinc/98/83/77/523988377.db2.gz KLRCOAOBUFDENS-IBGZPJMESA-N 0 0 451.386 4.193 50 0 JIAARN CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)C2)cc1 ZINC000035502836 523989349 /nfs/dbraw/zinc/98/93/49/523989349.db2.gz WVPNSDCWTOBAIJ-QGZVFWFLSA-N 0 0 474.608 4.017 50 0 JIAARN CCc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 ZINC000035485288 523990014 /nfs/dbraw/zinc/99/00/14/523990014.db2.gz CWUPAYXEUIJXNS-SVBPBHIXSA-N 0 0 466.585 4.111 50 0 biogenic JIAARN CCc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)NCCc4ccc(C)cc4)c(O)c3c2)cc1 ZINC000006181495 523995962 /nfs/dbraw/zinc/99/59/62/523995962.db2.gz AMMLLMMTMWHKFU-UHFFFAOYSA-N 0 0 489.597 4.172 50 0 JIAARN COc1ccc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)cc1C ZINC000014989585 524008773 /nfs/dbraw/zinc/00/87/73/524008773.db2.gz KOXMZRVLVUWFGG-NRFANRHFSA-N 0 0 453.612 4.093 50 0 JIAARN CCc1ccc(Oc2nccnc2N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000033288332 524008852 /nfs/dbraw/zinc/00/88/52/524008852.db2.gz SZULLNDHPSNLKH-UHFFFAOYSA-N 0 0 460.534 4.093 50 0 JIAARN COc1ccc(CN2C[C@H](C(=O)Nc3cc(-c4nc5ccccc5o4)ccc3OC)CC2=O)cc1 ZINC000021884011 524041968 /nfs/dbraw/zinc/04/19/68/524041968.db2.gz GWJHMAFRGWGVRT-LJQANCHMSA-N 0 0 471.513 4.499 50 0 JIAARN COc1ccc(CNC(=O)CSc2nc(-c3sc(-c4ccccc4)nc3C)cc(=O)[nH]2)cc1 ZINC000033292536 524053070 /nfs/dbraw/zinc/05/30/70/524053070.db2.gz ZCLMJOVHDKSSLP-UHFFFAOYSA-N 0 0 478.599 4.286 50 0 JIAARN COc1ccc(CNC(=O)Cn2c3ccccc3c3ncn(Cc4ccccc4Cl)c(=O)c32)cc1 ZINC000035399749 524055060 /nfs/dbraw/zinc/05/50/60/524055060.db2.gz RUZCAACIRYLTTI-UHFFFAOYSA-N 0 0 486.959 4.378 50 0 JIAARN CCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(OC)cc1)cn2CC(=O)Nc1ccc(C)cc1 ZINC000002693219 524059438 /nfs/dbraw/zinc/05/94/38/524059438.db2.gz PFCRXIPDTLZBNI-UHFFFAOYSA-N 0 0 490.581 4.352 50 0 JIAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4c(s3)c(C)nn4-c3ccc(OC)cc3)C2)cc1 ZINC000065080581 524062680 /nfs/dbraw/zinc/06/26/80/524062680.db2.gz UWWMSOVDTFTHSC-LJQANCHMSA-N 0 0 491.617 4.340 50 0 JIAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccsc4c(=O)n3-c3cccc(C)c3)C2)cc1 ZINC000033302550 524062917 /nfs/dbraw/zinc/06/29/17/524062917.db2.gz ZPLCURJWMSHAHB-HXUWFJFHSA-N 0 0 488.613 4.297 50 0 JIAARN COc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCC(C)CC3)cc2)cc1OC ZINC000033296693 524066572 /nfs/dbraw/zinc/06/65/72/524066572.db2.gz GFLUXTHUODBIHD-UHFFFAOYSA-N 0 0 462.550 4.452 50 0 JIAARN COc1ccc(CNC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013583813 524066980 /nfs/dbraw/zinc/06/69/80/524066980.db2.gz TVJUXPICUJIPHD-UHFFFAOYSA-N 0 0 470.978 4.420 50 0 JIAARN COc1ccc(CNC(=O)c2cccc(NC(=O)c3nnc(COc4ccccc4)s3)c2)cc1 ZINC000033027188 524067356 /nfs/dbraw/zinc/06/73/56/524067356.db2.gz JAKDWVIPKLJONB-UHFFFAOYSA-N 0 0 474.542 4.308 50 0 JIAARN Cc1cccc(-c2nc(SCc3noc(CCC(=O)Nc4cc(F)cc(F)c4)n3)n[nH]2)c1 ZINC000033270901 524116122 /nfs/dbraw/zinc/11/61/22/524116122.db2.gz VLPXFRFPYULQRP-UHFFFAOYSA-N 0 0 456.478 4.305 50 0 JIAARN Cc1cccc(-c2nc3c(c(C(N)=O)n2)n(Cc2ccccc2)c(=O)n3-c2ccc(C)c(C)c2)c1 ZINC000064966054 524119497 /nfs/dbraw/zinc/11/94/97/524119497.db2.gz NTDQIYDPFCFCTM-UHFFFAOYSA-N 0 0 463.541 4.322 50 0 JIAARN Cc1cccc(-c2noc(-c3cn(CC(=O)NC4CCCCC4)c4nc(C)ccc4c3=O)n2)c1 ZINC000021655257 524129878 /nfs/dbraw/zinc/12/98/78/524129878.db2.gz SZXSDBRJRDLWLT-UHFFFAOYSA-N 0 0 457.534 4.179 50 0 JIAARN Cc1cccc(-c2nsc3c2ncn(CC(=O)Nc2cccc(Br)c2)c3=O)c1 ZINC000033300196 524136606 /nfs/dbraw/zinc/13/66/06/524136606.db2.gz HNTPCDKMEHISNO-UHFFFAOYSA-N 0 0 455.337 4.230 50 0 JIAARN Cc1cccc(-n2c(CN3CCN(S(=O)(=O)c4cccc(Cl)c4C)CC3)nc3cccnc32)c1 ZINC000033139416 524138848 /nfs/dbraw/zinc/13/88/48/524138848.db2.gz HVYHDTQWDDJHNX-UHFFFAOYSA-N 0 0 496.036 4.197 50 0 JIAARN COc1ccc(Cc2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)n2N)cc1 ZINC000008861374 524168005 /nfs/dbraw/zinc/16/80/05/524168005.db2.gz ZHSYAWAKPGKGCD-CHWSQXEVSA-N 0 0 480.421 4.256 50 0 JIAARN Cc1ccc(C)c(OCn2ccc(C(=O)N3CCN(Cc4c(F)cccc4Cl)CC3)n2)c1 ZINC000020045138 524184150 /nfs/dbraw/zinc/18/41/50/524184150.db2.gz WZUFUZCUFSRKOI-UHFFFAOYSA-N 0 0 456.949 4.287 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000064930920 524189016 /nfs/dbraw/zinc/18/90/16/524189016.db2.gz HWEIPFWRNWDZFB-QGZVFWFLSA-N 0 0 460.556 4.072 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3nccc(-c4cccc(C(F)(F)F)c4)n3)CC2)c1 ZINC000023451154 524190037 /nfs/dbraw/zinc/19/00/37/524190037.db2.gz MPUBZEOLYXIOFO-UHFFFAOYSA-N 0 0 476.524 4.290 50 0 JIAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(Nc3ccc(C)cc3)nc(C)n2)CC1 ZINC000033318309 524195548 /nfs/dbraw/zinc/19/55/48/524195548.db2.gz LIQCDBNGBUMNEJ-UHFFFAOYSA-N 0 0 451.958 4.461 50 0 JIAARN COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)C2 ZINC000065003632 524249113 /nfs/dbraw/zinc/24/91/13/524249113.db2.gz RMUJAIDVWFBBCR-MRXNPFEDSA-N 0 0 470.978 4.419 50 0 JIAARN COc1cccc2cc(C(=O)Nc3ccccc3C)/c(=N/NS(=O)(=O)c3ccc(C)c(C)c3)oc21 ZINC000012437866 524260253 /nfs/dbraw/zinc/26/02/53/524260253.db2.gz CAYFDTGUSUHJQM-SGEDCAFJSA-N 0 0 491.569 4.413 50 0 JIAARN COc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)nn1 ZINC000022484337 524269465 /nfs/dbraw/zinc/26/94/65/524269465.db2.gz OSCVBYPOULAEGF-FQEVSTJZSA-N 0 0 455.562 4.209 50 0 JIAARN COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4cccc(OC)c4OC)oc3C)ccn2n1 ZINC000064977341 524269825 /nfs/dbraw/zinc/26/98/25/524269825.db2.gz GXYDJSZEAGHTTK-UHFFFAOYSA-N 0 0 472.501 4.201 50 0 JIAARN COc1ccccc1-n1c(CNc2cccc(C)c2)nnc1SCC(=O)NC1CCCC1 ZINC000028047519 524299902 /nfs/dbraw/zinc/29/99/02/524299902.db2.gz SXJJLPOQJNUISD-UHFFFAOYSA-N 0 0 451.596 4.347 50 0 JIAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)cc1 ZINC000002728621 524396054 /nfs/dbraw/zinc/39/60/54/524396054.db2.gz PVJGMLQIOTVQPD-HXUWFJFHSA-N 0 0 453.495 4.262 50 0 JIAARN COc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021865771 524398632 /nfs/dbraw/zinc/39/86/32/524398632.db2.gz WJLIJUSPHTYRFA-HHHXNRCGSA-N 0 0 455.514 4.492 50 0 JIAARN COc1ccccc1CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021858314 524407641 /nfs/dbraw/zinc/40/76/41/524407641.db2.gz DYKVNRHMPIMVFS-GDLZYMKVSA-N 0 0 467.569 4.424 50 0 JIAARN COc1ccccc1CCNC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccc(C)cc4)nc32)CC1 ZINC000008594227 524410747 /nfs/dbraw/zinc/41/07/47/524410747.db2.gz HMBGVCLUGIHQPS-UHFFFAOYSA-N 0 0 498.631 4.325 50 0 JIAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC(C)C)S(=O)(=O)c2ccccc2)o1 ZINC000016652153 524420535 /nfs/dbraw/zinc/42/05/35/524420535.db2.gz VBBDFGNGTUDGOW-UHFFFAOYSA-N 0 0 454.592 4.464 50 0 JIAARN Cc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(OCC(N)=O)cc2)cc1 ZINC000016742615 524434588 /nfs/dbraw/zinc/43/45/88/524434588.db2.gz CHIGEGOHVQMBGZ-DEOSSOPVSA-N 0 0 488.927 4.364 50 0 JIAARN COc1ccc(N2C[C@@H](c3nnc(SCC(=O)Nc4ccc(C)cc4)o3)CC2=O)cc1Cl ZINC000012415246 524444359 /nfs/dbraw/zinc/44/43/59/524444359.db2.gz RUIIJUQTAIRHIJ-AWEZNQCLSA-N 0 0 472.954 4.291 50 0 JIAARN COc1ccccc1CN1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021851677 524445517 /nfs/dbraw/zinc/44/55/17/524445517.db2.gz QNXFOEFVTSQPQE-HHHXNRCGSA-N 0 0 476.577 4.405 50 0 JIAARN COc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021859476 524445750 /nfs/dbraw/zinc/44/57/50/524445750.db2.gz NYUGZUDZSSRYNH-NDEPHWFRSA-N 0 0 453.542 4.381 50 0 JIAARN COc1ccc(N2C[C@H](C(=O)Nc3ccc(OCc4nnc(-c5ccccc5)o4)cc3)CC2=O)cc1 ZINC000033308276 524446527 /nfs/dbraw/zinc/44/65/27/524446527.db2.gz OXFMQGGNISUFKK-LJQANCHMSA-N 0 0 484.512 4.316 50 0 JIAARN COc1ccccc1CN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021860705 524447136 /nfs/dbraw/zinc/44/71/36/524447136.db2.gz UOZQJSSZKYHGLH-KBVTYMBASA-N 0 0 460.578 4.155 50 0 JIAARN Cc1cc(C)cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000033254128 524456956 /nfs/dbraw/zinc/45/69/56/524456956.db2.gz YVRSRJZIQMDKKK-FQEVSTJZSA-N 0 0 471.623 4.115 50 0 JIAARN Cc1ccc(CN2CCN(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)C2=O)cc1 ZINC000064950737 524457645 /nfs/dbraw/zinc/45/76/45/524457645.db2.gz BXVKUAMEJDKNST-UHFFFAOYSA-N 0 0 455.624 4.209 50 0 JIAARN Cc1cccc(CSCCNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000067190030 524461025 /nfs/dbraw/zinc/46/10/25/524461025.db2.gz ZVJVAEXKSHUNMF-UHFFFAOYSA-N 0 0 494.988 4.483 50 0 JIAARN COc1ccccc1CNC(=O)Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21 ZINC000008609180 524467707 /nfs/dbraw/zinc/46/77/07/524467707.db2.gz NGMYJKNMOQFXEL-UHFFFAOYSA-N 0 0 451.885 4.181 50 0 JIAARN C[C@H](CNC(=O)c1ccccc1C(F)(F)F)Oc1cccc(CN(C)Cc2cnn(C)c2)c1 ZINC000014994486 524468869 /nfs/dbraw/zinc/46/88/69/524468869.db2.gz HDOMTVGBTPNHJO-QGZVFWFLSA-N 0 0 460.500 4.268 50 0 JIAARN COc1ccc(NC(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)cc1 ZINC000020416039 524470894 /nfs/dbraw/zinc/47/08/94/524470894.db2.gz DEUGWNBKHUWMTA-UHFFFAOYSA-N 0 0 469.545 4.163 50 0 JIAARN COc1ccccc1CNC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000013583910 524483020 /nfs/dbraw/zinc/48/30/20/524483020.db2.gz UZIAMVUGKBLFJR-UHFFFAOYSA-N 0 0 470.978 4.420 50 0 JIAARN COc1ccccc1CNC(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1 ZINC000033027971 524483054 /nfs/dbraw/zinc/48/30/54/524483054.db2.gz MIOBZZVFOWDLCV-UHFFFAOYSA-N 0 0 474.542 4.308 50 0 JIAARN Cc1ccc(CN2c3ccc(Br)cc3[C@](O)(CC(=O)c3cccnc3)C2=O)cc1 ZINC000016489220 524484078 /nfs/dbraw/zinc/48/40/78/524484078.db2.gz JXFQAFNWPNCEPM-HSZRJFAPSA-N 0 0 451.320 4.160 50 0 JIAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)c(C)c1 ZINC000014954751 524484698 /nfs/dbraw/zinc/48/46/98/524484698.db2.gz YRNZNQCVDKHORX-KRWDZBQOSA-N 0 0 450.988 4.477 50 0 JIAARN COc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCCCC3)c(OC)c1 ZINC000020436648 524493024 /nfs/dbraw/zinc/49/30/24/524493024.db2.gz 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COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc(F)cc2)c1 ZINC000003349832 524527824 /nfs/dbraw/zinc/52/78/24/524527824.db2.gz BQVCEZZYMOJCLQ-UHFFFAOYSA-N 0 0 491.924 4.353 50 0 JIAARN COc1ccc(NC(=O)Cn2nc(SC)c(-c3nc(-c4ccccc4)no3)c2N)cc1Cl ZINC000046914001 524532364 /nfs/dbraw/zinc/53/23/64/524532364.db2.gz JYQDJGPSPTYJQD-UHFFFAOYSA-N 0 0 470.942 4.205 50 0 JIAARN Cc1cccc(N2CCN(C(=O)CNC(=O)c3ccc(-c4noc(C5CCCC5)n4)cc3)CC2)c1C ZINC000033258434 524545843 /nfs/dbraw/zinc/54/58/43/524545843.db2.gz NJZCBXXBVKCMSZ-UHFFFAOYSA-N 0 0 487.604 4.090 50 0 JIAARN COc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1OC ZINC000033106838 524546195 /nfs/dbraw/zinc/54/61/95/524546195.db2.gz RGPSIKOPSRFRKE-AWEZNQCLSA-N 0 0 485.541 4.358 50 0 JIAARN COc1ccc(NC(=O)N2CCN(CCn3c(-c4ccc(C)cc4)nc4cccnc43)CC2)cc1 ZINC000033139734 524548415 /nfs/dbraw/zinc/54/84/15/524548415.db2.gz HNMCPXQPMVVKHS-UHFFFAOYSA-N 0 0 470.577 4.265 50 0 JIAARN COc1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)cc1 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/nfs/dbraw/zinc/76/49/78/524764978.db2.gz BAPMZYYWXFXLFN-UHFFFAOYSA-N 0 0 450.608 4.090 50 0 JIAARN Cc1ccc(Cn2c3cc(C)ccc3n3nc(C(=O)Nc4ccc(F)cc4F)nc3c2=O)cc1 ZINC000033115017 524768583 /nfs/dbraw/zinc/76/85/83/524768583.db2.gz GZPIGCFMMFYBTI-UHFFFAOYSA-N 0 0 459.456 4.240 50 0 JIAARN Cc1ccc(Cn2c3ccccc3n(CCC(=O)N[C@@H]3CCCc4ccccc43)c(=O)c2=O)cc1 ZINC000033272517 524768635 /nfs/dbraw/zinc/76/86/35/524768635.db2.gz RPMOWPTVDVGJKS-XMMPIXPASA-N 0 0 467.569 4.104 50 0 JIAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC[C@H](C(=O)NCCc4cccs4)C3)c2=O)cc1 ZINC000022599856 524770188 /nfs/dbraw/zinc/77/01/88/524770188.db2.gz YXMUJNZHKUYCMQ-QFIPXVFZSA-N 0 0 486.641 4.390 50 0 JIAARN Cc1cccc(Sc2nccnc2N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)c1 ZINC000033168646 524811597 /nfs/dbraw/zinc/81/15/97/524811597.db2.gz QFUWLCBIXVUPPG-UHFFFAOYSA-N 0 0 462.575 4.198 50 0 JIAARN COc1ccc(OC)c(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000021865557 524825582 /nfs/dbraw/zinc/82/55/82/524825582.db2.gz 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Cc1nn(-c2ccccc2)c2nc(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc(C)c12 ZINC000046016912 527554610 /nfs/dbraw/zinc/55/46/10/527554610.db2.gz QOTDIKAGZJLTAV-UHFFFAOYSA-N 0 0 475.980 4.418 50 0 JIAARN O=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000008965781 527618091 /nfs/dbraw/zinc/61/80/91/527618091.db2.gz BLTHUXBMZQPJHK-VGOFMYFVSA-N 0 0 498.004 4.208 50 0 JIAARN FC(F)(F)c1cccnc1N1CCN(c2ccc(NC(=S)NCc3ccccc3)cn2)CC1 ZINC000013469254 527687655 /nfs/dbraw/zinc/68/76/55/527687655.db2.gz LRQQVQOQDRMCPN-UHFFFAOYSA-N 0 0 472.540 4.309 50 0 JIAARN Cc1nn(CC(=O)N(Cc2ccco2)C2=CCCCC2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000008745500 527701377 /nfs/dbraw/zinc/70/13/77/527701377.db2.gz QUVSEUNLXWEPEU-UHFFFAOYSA-N 0 0 474.627 4.000 50 0 JIAARN CC(C)NC(=O)Nc1ccc(N(C)C)c(CN(C[C@H]2CCCO2)C(=O)c2ccc(F)cc2)c1 ZINC000096279485 535279913 /nfs/dbraw/zinc/27/99/13/535279913.db2.gz FRCGGWPIUKGWCV-JOCHJYFZSA-N 0 0 456.562 4.243 50 0 JIAARN COc1ccc(-n2nc3ccc4c(c3n2)[C@@H](c2ccc(O)c(OC)c2)CC(=O)N4)cc1Cl ZINC000096231754 536557853 /nfs/dbraw/zinc/55/78/53/536557853.db2.gz MTMNUQPDGVLIIK-CQSZACIVSA-N 0 0 450.882 4.271 50 0 JIAARN COc1ccc(OC)c(C(=O)COC(=O)c2ccc(NS(=O)(=O)C=Cc3ccccc3)cc2)c1 ZINC000096506476 536826141 /nfs/dbraw/zinc/82/61/41/536826141.db2.gz MAEURWMXGIPRGM-PFONDFGASA-N 0 0 481.526 4.156 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)cc1OC ZINC000000631172 553718029 /nfs/dbraw/zinc/71/80/29/553718029.db2.gz CJWJLAUQAABZNP-UHFFFAOYSA-N 0 0 474.966 4.131 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)N2CN(c3ccccc3C)c3nc4ccccc4nc32)cc1 ZINC000000636308 553721072 /nfs/dbraw/zinc/72/10/72/553721072.db2.gz BBUSVWACSMBAQU-UHFFFAOYSA-N 0 0 459.531 4.201 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2ccc(F)cc2)cc1OC ZINC000000640012 553723468 /nfs/dbraw/zinc/72/34/68/553723468.db2.gz OYCQSJDDJNRNGS-UHFFFAOYSA-N 0 0 492.956 4.008 50 0 JIAARN O=C(c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000000654249 553734849 /nfs/dbraw/zinc/73/48/49/553734849.db2.gz QKAFJKWQPLBXHZ-JOCHJYFZSA-N 0 0 461.371 4.051 50 0 JIAARN COc1ccc(C)cc1N(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc(C)cc1 ZINC000000654956 553735643 /nfs/dbraw/zinc/73/56/43/553735643.db2.gz KMASSNIMXHFZGJ-UHFFFAOYSA-N 0 0 464.587 4.092 50 0 JIAARN COc1ccc(OC)c(-c2cc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)c3ccccc3n2)c1 ZINC000000655365 553735848 /nfs/dbraw/zinc/73/58/48/553735848.db2.gz YDAKMJADLPXSTQ-QHCPKHFHSA-N 0 0 477.414 4.340 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)c1ccc(Br)o1 ZINC000000656307 553736333 /nfs/dbraw/zinc/73/63/33/553736333.db2.gz YDSRBKFFMAYOMR-UHFFFAOYSA-N 0 0 457.346 4.323 50 0 JIAARN O=C(N/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1)c1ccccc1Br ZINC000000657952 553737131 /nfs/dbraw/zinc/73/71/31/553737131.db2.gz HZBDKVODVGUQAU-XMHGGMMESA-N 0 0 458.312 4.141 50 0 JIAARN Cc1cc(Cl)ccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000000665665 553741847 /nfs/dbraw/zinc/74/18/47/553741847.db2.gz WYBPYPTVWZKWOS-UHFFFAOYSA-N 0 0 490.940 4.393 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000000666081 553742298 /nfs/dbraw/zinc/74/22/98/553742298.db2.gz AQEAMVZXULFPGQ-GOSISDBHSA-N 0 0 465.575 4.256 50 0 JIAARN O=C(Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1ccc(Br)cc1 ZINC000000666769 553742850 /nfs/dbraw/zinc/74/28/50/553742850.db2.gz OBYWPQXOKMOKFX-UHFFFAOYSA-N 0 0 457.305 4.229 50 0 JIAARN COc1ccc(C(=O)NC[C@]2(C)C[C@H](NC(=O)c3ccc(OC)cc3OC)CC(C)(C)C2)c(OC)c1 ZINC000000669690 553744426 /nfs/dbraw/zinc/74/44/26/553744426.db2.gz WWKKNFDBVODOPM-KWMCUTETSA-N 0 0 498.620 4.466 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 ZINC000000677382 553751032 /nfs/dbraw/zinc/75/10/32/553751032.db2.gz BTSZGTWFSFEEOI-UHFFFAOYSA-N 0 0 454.162 4.183 50 0 JIAARN CCOC(=O)c1c(NC(=S)NC(=O)COc2ccc(Br)cc2)sc2c1CCCC2 ZINC000000678375 553751616 /nfs/dbraw/zinc/75/16/16/553751616.db2.gz DKSGISDAVSECKG-UHFFFAOYSA-N 0 0 497.436 4.458 50 0 JIAARN CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000000687784 553757848 /nfs/dbraw/zinc/75/78/48/553757848.db2.gz SZIKIPBKAHBPNF-UHFFFAOYSA-N 0 0 481.691 4.481 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(-c3cccc(NC(=O)c4ccccc4)c3)n2C)cc1 ZINC000000694055 553759626 /nfs/dbraw/zinc/75/96/26/553759626.db2.gz WIDVGGFSFCOZGV-UHFFFAOYSA-N 0 0 473.558 4.474 50 0 JIAARN COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1 ZINC000000696906 553760234 /nfs/dbraw/zinc/76/02/34/553760234.db2.gz QPGYAMIHXLCFTJ-UHFFFAOYSA-N 0 0 460.515 4.402 50 0 in-vitro JIAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 ZINC000000702493 553761031 /nfs/dbraw/zinc/76/10/31/553761031.db2.gz LZAQJEYLHXVPGR-OAHLLOKOSA-N 0 0 453.539 4.497 50 0 JIAARN CCOc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(C(OC)OC)c3ccccc3C2c2ccccc21 ZINC000000705199 553763329 /nfs/dbraw/zinc/76/33/29/553763329.db2.gz DSFDHHWJXLGYRR-UTNLWQBASA-N 0 0 469.537 4.255 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc43)c(=O)n2[C@@H]1c1cccs1 ZINC000000707213 553764030 /nfs/dbraw/zinc/76/40/30/553764030.db2.gz OPWAPIDSDWJMST-LJJBLSSYSA-N 0 0 490.606 4.022 50 0 JIAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)N1CCCc2ccccc21 ZINC000000755450 553777780 /nfs/dbraw/zinc/77/77/80/553777780.db2.gz NRRCBOSLGGXPGM-UHFFFAOYSA-N 0 0 453.564 4.091 50 0 JIAARN Cc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1C ZINC000000778652 553778540 /nfs/dbraw/zinc/77/85/40/553778540.db2.gz GCCQGGXADHYIOA-UHFFFAOYSA-N 0 0 470.522 4.048 50 0 JIAARN CN1c2ccc(Br)cc2[C@@H](Cc2nc3ccccc3c(=O)n2-c2ccccc2)C1=O ZINC000000820742 553786116 /nfs/dbraw/zinc/78/61/16/553786116.db2.gz ZFJXQZQEKYBABM-LJQANCHMSA-N 0 0 460.331 4.451 50 0 JIAARN COc1cccc(N(CC(=O)Nc2ccccc2Br)S(=O)(=O)c2ccccc2)c1 ZINC000000824167 553787332 /nfs/dbraw/zinc/78/73/32/553787332.db2.gz SWIUTQGZQBAVED-UHFFFAOYSA-N 0 0 475.364 4.292 50 0 JIAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 ZINC000000825775 553788148 /nfs/dbraw/zinc/78/81/48/553788148.db2.gz TXUMECRCGLIMCR-OHTDUKGKSA-N 0 0 453.538 4.473 50 0 JIAARN Cc1c(N[C@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000000832946 553790974 /nfs/dbraw/zinc/79/09/74/553790974.db2.gz NEBYKAQLEDFNKH-HXUWFJFHSA-N 0 0 467.784 4.331 50 0 JIAARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccc(C)cc2)C(Cl)(Cl)Cl)cc1OC ZINC000000836932 553792274 /nfs/dbraw/zinc/79/22/74/553792274.db2.gz SPKSBKZAIBJXAA-KRWDZBQOSA-N 0 0 476.813 4.425 50 0 JIAARN COc1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000000841965 553793738 /nfs/dbraw/zinc/79/37/38/553793738.db2.gz RAOGVGOMACOOQI-UHFFFAOYSA-N 0 0 484.574 4.163 50 0 JIAARN Cc1c(NC(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000000845073 553795372 /nfs/dbraw/zinc/79/53/72/553795372.db2.gz APVISUILTKFCCB-UHFFFAOYSA-N 0 0 482.422 4.058 50 0 JIAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)Nc2ccccc2OC)C(C)C)cc1 ZINC000000846206 553796057 /nfs/dbraw/zinc/79/60/57/553796057.db2.gz LUJKCPYKMNNEGG-DEOSSOPVSA-N 0 0 475.545 4.349 50 0 JIAARN COc1cc(Br)c(C(NC=O)c2cc(OC)c(OC)cc2Br)cc1OC ZINC000000867391 553807171 /nfs/dbraw/zinc/80/71/71/553807171.db2.gz HDPIIXPBOMBUAA-UHFFFAOYSA-N 0 0 489.160 4.081 50 0 JIAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C(C)=O)cc3)nnc2-c2cccnc2)cc1 ZINC000000875804 553812631 /nfs/dbraw/zinc/81/26/31/553812631.db2.gz KISSJWRRXJGQJB-UHFFFAOYSA-N 0 0 459.531 4.271 50 0 JIAARN Cc1c(CNC(=O)c2nn3c(c2Cl)N[C@H](c2ccc(C)cc2)C[C@@H]3C(F)(F)F)cnn1C ZINC000000884701 553822799 /nfs/dbraw/zinc/82/27/99/553822799.db2.gz NXVJAWADWCWNAB-JKSUJKDBSA-N 0 0 466.895 4.477 50 0 JIAARN CCOC(=O)[C@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(OC)cc1 ZINC000000907117 553839404 /nfs/dbraw/zinc/83/94/04/553839404.db2.gz KFTIBKFPTKPMMM-HNNXBMFYSA-N 0 0 459.597 4.019 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000000916190 553846723 /nfs/dbraw/zinc/84/67/23/553846723.db2.gz JVWGCAWYTNPVGT-UHFFFAOYSA-N 0 0 495.582 4.400 50 0 JIAARN CCOC(=O)C1CCN(C(=O)CCSc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)CC1 ZINC000000920489 553853262 /nfs/dbraw/zinc/85/32/62/553853262.db2.gz CJTOMAHTIPTIOO-UHFFFAOYSA-N 0 0 497.539 4.455 50 0 JIAARN Cc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2Cl)ccc1-n1cnnn1 ZINC000000934078 553872226 /nfs/dbraw/zinc/87/22/26/553872226.db2.gz PWRVSFWVDYHKPU-UHFFFAOYSA-N 0 0 453.955 4.015 50 0 JIAARN COc1cc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1 ZINC000000949755 553880475 /nfs/dbraw/zinc/88/04/75/553880475.db2.gz FGKDQYBQEIOMLJ-XMMPIXPASA-N 0 0 468.517 4.188 50 0 JIAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000000950259 553880736 /nfs/dbraw/zinc/88/07/36/553880736.db2.gz KFSUTZIANVOHTB-UHFFFAOYSA-N 0 0 450.185 4.267 50 0 JIAARN Cc1cccc(C)c1NC(=O)[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000000971217 553887542 /nfs/dbraw/zinc/88/75/42/553887542.db2.gz UGOJGSSAZMSDFY-HSZRJFAPSA-N 0 0 476.916 4.476 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)Cc2c(F)cccc2Cl)cc1 ZINC000000980876 553891030 /nfs/dbraw/zinc/89/10/30/553891030.db2.gz KQHUQPTVDQQTAI-UHFFFAOYSA-N 0 0 452.979 4.381 50 0 JIAARN COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Br)c1OC(C)C ZINC000000981008 553891075 /nfs/dbraw/zinc/89/10/75/553891075.db2.gz CGEXJQZPZHSEJS-RQZCQDPDSA-N 0 0 463.303 4.477 50 0 JIAARN COc1cccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Br)cc2)C3=O)c1 ZINC000000991864 553895713 /nfs/dbraw/zinc/89/57/13/553895713.db2.gz FDCHZGKZMIHHQQ-UHFFFAOYSA-N 0 0 494.297 4.298 50 0 JIAARN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC ZINC000001124097 553912843 /nfs/dbraw/zinc/91/28/43/553912843.db2.gz JUPPLNBRFGPLHX-MHWRWJLKSA-N 0 0 495.782 4.259 50 0 JIAARN COc1ccccc1CNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000001174007 553924339 /nfs/dbraw/zinc/92/43/39/553924339.db2.gz MQDADLSMWGRLNE-UHFFFAOYSA-N 0 0 452.576 4.132 50 0 JIAARN CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccc(Br)cc1 ZINC000001182935 553929667 /nfs/dbraw/zinc/92/96/67/553929667.db2.gz CXUOJHLJMWTHMJ-SFHVURJKSA-N 0 0 473.392 4.384 50 0 JIAARN O=C(Nc1ccc(I)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000001227634 553936406 /nfs/dbraw/zinc/93/64/06/553936406.db2.gz ZJGCFDMVIFSGFF-UHFFFAOYSA-N 0 0 468.250 4.344 50 0 JIAARN O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1ccccc1C(F)(F)F ZINC000001946961 554006046 /nfs/dbraw/zinc/00/60/46/554006046.db2.gz AQSGPLQZGZEAPU-UHFFFAOYSA-N 0 0 468.387 4.302 50 0 JIAARN O=S(=O)(NC1CCCCC1)c1ccc(Cc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000002028814 554009533 /nfs/dbraw/zinc/00/95/33/554009533.db2.gz AUCUVRVBNPEMSZ-UHFFFAOYSA-N 0 0 490.691 4.499 50 0 JIAARN CSCC[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000002071996 554022404 /nfs/dbraw/zinc/02/24/04/554022404.db2.gz UYFYJIGZMCWNRU-KRWDZBQOSA-N 0 0 466.342 4.137 50 0 JIAARN CCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)[C@H](C)CC)ccc12 ZINC000002092027 554035192 /nfs/dbraw/zinc/03/51/92/554035192.db2.gz JMWAZPNUMIIFAI-MWTRTKDXSA-N 0 0 471.575 4.271 50 0 biogenic JIAARN CCc1cc(=O)oc2cc(OC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002093238 554036687 /nfs/dbraw/zinc/03/66/87/554036687.db2.gz YNTBWIBTGJZAAA-XMMPIXPASA-N 0 0 491.565 4.159 50 0 JIAARN CC(C)c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)N2CC3CC(C2)c2cccc(=O)n2C3)cc1 ZINC000002093558 554037344 /nfs/dbraw/zinc/03/73/44/554037344.db2.gz OEPFTPUEOHSQKQ-CWDLOFLHSA-N 0 0 498.627 4.350 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Oc2cc(C)cc3oc(=O)cc(C)c23)cc1 ZINC000002093632 554037369 /nfs/dbraw/zinc/03/73/69/554037369.db2.gz ZHYBVRSAVHTTHS-JOCHJYFZSA-N 0 0 491.565 4.213 50 0 JIAARN CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(CC)cc(=O)oc2c1C ZINC000002094053 554037857 /nfs/dbraw/zinc/03/78/57/554037857.db2.gz YYYPMSQAJPIUTM-FQEVSTJZSA-N 0 0 457.548 4.025 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2ccc3c(C)cc(=O)oc3c2C)cc1 ZINC000002094612 554038751 /nfs/dbraw/zinc/03/87/51/554038751.db2.gz OOXTXDFRWUOYEF-UHFFFAOYSA-N 0 0 457.548 4.163 50 0 biogenic JIAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCc4ccccc4)CC(=O)N32)cc1 ZINC000002096161 554040547 /nfs/dbraw/zinc/04/05/47/554040547.db2.gz WAWKZNHLCXPZRC-NAKRPHOHSA-N 0 0 465.553 4.104 50 0 biogenic JIAARN CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C[C@@H]4CCCO4)CC(=O)N32)cc1 ZINC000002096428 554040781 /nfs/dbraw/zinc/04/07/81/554040781.db2.gz IDZGCRJCHQXFPW-PPNCUWOSSA-N 0 0 457.574 4.155 50 0 biogenic JIAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4F)CC(=O)N32)cc1OC ZINC000002098157 554041383 /nfs/dbraw/zinc/04/13/83/554041383.db2.gz SVHITQZHKFBHIQ-FIPFOOKPSA-N 0 0 499.542 4.209 50 0 biogenic JIAARN CC[C@@H](C)N1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(Br)cc2)C1=O ZINC000002100355 554042403 /nfs/dbraw/zinc/04/24/03/554042403.db2.gz CDXWRRZCXWBXLB-IJIZOXLDSA-N 0 0 466.379 4.414 50 0 biogenic JIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CCC(C)CC4)CC(=O)N32)c1 ZINC000002100764 554042652 /nfs/dbraw/zinc/04/26/52/554042652.db2.gz AGMRYLZCJAJOQF-VJQVCKOASA-N 0 0 457.574 4.440 50 0 biogenic JIAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(F)cc4)CC(=O)N23)c1 ZINC000002103386 554043834 /nfs/dbraw/zinc/04/38/34/554043834.db2.gz WILNTMVDALUTTQ-RPLLCQBOSA-N 0 0 469.516 4.201 50 0 biogenic JIAARN CCCOC(=O)c1c(NC(=S)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)sc2c1CC[C@@H](C)C2 ZINC000002107022 554046950 /nfs/dbraw/zinc/04/69/50/554046950.db2.gz UCHBDBXLCBLYSX-IXDOHACOSA-N 0 0 485.675 4.418 50 0 biogenic JIAARN CCCCCN1CC(=O)N2[C@H](c3ccc(OCC)c(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002118126 554054300 /nfs/dbraw/zinc/05/43/00/554054300.db2.gz VCMGWWNYBNXDCP-WXVAWEFUSA-N 0 0 475.589 4.450 50 0 biogenic JIAARN COc1cc(-c2nc(C(=O)NC[C@@H]3CCCO3)cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000002120741 554055634 /nfs/dbraw/zinc/05/56/34/554055634.db2.gz UNOZKAJTQWGIOS-INIZCTEOSA-N 0 0 461.518 4.318 50 0 biogenic JIAARN CC(C)OCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(Cl)c2)C1=O ZINC000002121814 554056255 /nfs/dbraw/zinc/05/62/55/554056255.db2.gz WUPCSJVEIOVOKZ-DHLKQENFSA-N 0 0 465.981 4.321 50 0 biogenic JIAARN COC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(OC)c3)N2C1=O ZINC000002122622 554056852 /nfs/dbraw/zinc/05/68/52/554056852.db2.gz GMLROMJNDMVNMR-ZCYQVOJMSA-N 0 0 481.508 4.446 50 0 biogenic JIAARN COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4)C(=O)N32)cc1 ZINC000002148142 554067548 /nfs/dbraw/zinc/06/75/48/554067548.db2.gz MKUYVFLNPYUMTG-UPVQGACJSA-N 0 0 451.482 4.437 50 0 biogenic JIAARN CCc1cc(=O)oc2cc(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc12 ZINC000002148710 554068132 /nfs/dbraw/zinc/06/81/32/554068132.db2.gz IQSHWVGUUKKJAR-RUZDIDTESA-N 0 0 477.538 4.289 50 0 biogenic JIAARN CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(CC)cc(=O)oc2c1 ZINC000002151976 554070428 /nfs/dbraw/zinc/07/04/28/554070428.db2.gz ZCCDTUYZCHVEAS-OAQYLSRUSA-N 0 0 457.548 4.107 50 0 biogenic JIAARN CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCCCCO)CC(=O)N32)cc1 ZINC000002153885 554071520 /nfs/dbraw/zinc/07/15/20/554071520.db2.gz OTCMIULFPSDPRU-SQHAQQRYSA-N 0 0 459.590 4.139 50 0 biogenic JIAARN CCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000002174886 554077311 /nfs/dbraw/zinc/07/73/11/554077311.db2.gz ZKXWZXYPBMFRLG-MOSHPQCFSA-N 0 0 467.474 4.337 50 0 JIAARN COC(=O)[C@@](NC(=O)c1ccccc1OC)(Nc1ccc(OC(F)(F)Cl)cc1)C(F)(F)F ZINC000002192079 554087189 /nfs/dbraw/zinc/08/71/89/554087189.db2.gz YPXCBQIVYREUMA-KRWDZBQOSA-N 0 0 482.789 4.137 50 0 JIAARN CCOc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccc4)n21)CC(C)(C)OC3 ZINC000002206113 554092796 /nfs/dbraw/zinc/09/27/96/554092796.db2.gz OVMSSLSDORFOBD-UHFFFAOYSA-N 0 0 469.592 4.320 50 0 JIAARN O=C(NCCc1ccccc1)c1cnn2c1N[C@H](c1ccc3c(c1)OCO3)C[C@H]2C(F)(F)F ZINC000002208488 554093697 /nfs/dbraw/zinc/09/36/97/554093697.db2.gz STIQVRVDJHTPFE-PXNSSMCTSA-N 0 0 458.440 4.245 50 0 JIAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002209265 554094057 /nfs/dbraw/zinc/09/40/57/554094057.db2.gz LUMYZVAUXWZRPV-UHFFFAOYSA-N 0 0 465.513 4.263 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)cc1OC ZINC000002213192 554096330 /nfs/dbraw/zinc/09/63/30/554096330.db2.gz BJNZMFKENKVCTO-UHFFFAOYSA-N 0 0 480.546 4.246 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@@H]2Sc2nnc(N)s2)cc1 ZINC000002214738 554097351 /nfs/dbraw/zinc/09/73/51/554097351.db2.gz BXNNOWWWMMFQCK-MOPGFXCFSA-N 0 0 454.602 4.449 50 0 JIAARN Cc1cc2oc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)cc(=O)c2cc1Cl ZINC000002223367 554102130 /nfs/dbraw/zinc/10/21/30/554102130.db2.gz YWXQHDXWCYYSII-ZDUSSCGKSA-N 0 0 486.977 4.466 50 0 JIAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002227206 554103794 /nfs/dbraw/zinc/10/37/94/554103794.db2.gz WOPLHGQERYCERY-UHFFFAOYSA-N 0 0 457.534 4.395 50 0 JIAARN CCc1nc2sc3c(c2c2nnc(SCCN4C(=O)c5ccccc5C4=O)n21)CC(C)(C)OC3 ZINC000002235338 554107148 /nfs/dbraw/zinc/10/71/48/554107148.db2.gz BGQCNYXGHFBABR-UHFFFAOYSA-N 0 0 493.614 4.141 50 0 JIAARN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccc4)n21)CC(C)(C)OC3 ZINC000002239078 554109126 /nfs/dbraw/zinc/10/91/26/554109126.db2.gz VCLGDAXOHSKEPA-UHFFFAOYSA-N 0 0 453.593 4.484 50 0 JIAARN O=C1c2ccccc2C(=O)N1CCCSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000002277497 554129694 /nfs/dbraw/zinc/12/96/94/554129694.db2.gz RHWRSGVDKYRRPZ-UHFFFAOYSA-N 0 0 484.537 4.441 50 0 JIAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000002279556 554130271 /nfs/dbraw/zinc/13/02/71/554130271.db2.gz SWTRLLRDWRXCSC-WLJFKGHSSA-N 0 0 466.990 4.185 50 0 JIAARN COc1ccc(CNC(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc32)cc1OC ZINC000002281654 554131203 /nfs/dbraw/zinc/13/12/03/554131203.db2.gz DNGXDUPOLUAQDS-UHFFFAOYSA-N 0 0 467.529 4.162 50 0 JIAARN CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)CCCCC3 ZINC000002281978 554131388 /nfs/dbraw/zinc/13/13/88/554131388.db2.gz MKTCQWWIXXENOT-UHFFFAOYSA-N 0 0 484.603 4.028 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1-c1nc2c(C(C)(C)C)nn(C)c2c(=O)[nH]1 ZINC000002290370 554134606 /nfs/dbraw/zinc/13/46/06/554134606.db2.gz 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/nfs/dbraw/zinc/36/32/60/554363260.db2.gz UPKYIBVURLRKJK-UHFFFAOYSA-N 0 0 461.436 4.117 50 0 JIAARN O=C(CS[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000002826460 554366401 /nfs/dbraw/zinc/36/64/01/554366401.db2.gz JYJJEOHBJGMBKM-HNNXBMFYSA-N 0 0 458.845 4.242 50 0 biogenic JIAARN COc1ccc(CCN2C(=O)[C@H](Oc3ccccc3C)[C@@H]2c2ccc3c(c2)OCO3)cc1OC ZINC000002846588 554376307 /nfs/dbraw/zinc/37/63/07/554376307.db2.gz FWPZGTYLQBSQJB-IZZNHLLZSA-N 0 0 461.514 4.315 50 0 JIAARN CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2ccc(I)cc2c1=O ZINC000002848398 554377344 /nfs/dbraw/zinc/37/73/44/554377344.db2.gz QNHXPAGAQGMHLR-UHFFFAOYSA-N 0 0 479.343 4.060 50 0 JIAARN C[C@@H](Nc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc2ccccc21)c1ccccc1 ZINC000002858208 554384579 /nfs/dbraw/zinc/38/45/79/554384579.db2.gz QAOXAVJTCGRBKU-HXUWFJFHSA-N 0 0 473.602 4.314 50 0 JIAARN CCOc1ccc2nc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)sc2c1 ZINC000002861012 554387659 /nfs/dbraw/zinc/38/76/59/554387659.db2.gz ADNVXZZAVAJVRO-UHFFFAOYSA-N 0 0 454.577 4.224 50 0 JIAARN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1C ZINC000002874634 554397683 /nfs/dbraw/zinc/39/76/83/554397683.db2.gz WMNHBPXPYCGWIP-UHFFFAOYSA-N 0 0 467.566 4.206 50 0 JIAARN CCn1c(CC(=O)Nc2ccc(C)c(Cl)c2)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000002879964 554401595 /nfs/dbraw/zinc/40/15/95/554401595.db2.gz FWWYKVPZZMOUSE-UHFFFAOYSA-N 0 0 458.971 4.425 50 0 JIAARN CCOC(=O)C1=CN(CCc2ccc(F)cc2)C=C(C(=O)OCC)C1c1cccc(OC)c1 ZINC000002881106 554402976 /nfs/dbraw/zinc/40/29/76/554402976.db2.gz ZAJOEYWQBOIUEV-UHFFFAOYSA-N 0 0 453.510 4.370 50 0 JIAARN CCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1cccc(OC)c1OC ZINC000002881156 554403128 /nfs/dbraw/zinc/40/31/28/554403128.db2.gz GFBPWNHWHRCKBW-UHFFFAOYSA-N 0 0 469.509 4.336 50 0 JIAARN CCOc1ccc(N(CC(=O)Nc2cc(C)ccc2OC)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002883426 554404946 /nfs/dbraw/zinc/40/49/46/554404946.db2.gz JAHHSGHEKLXDAR-UHFFFAOYSA-N 0 0 472.538 4.375 50 0 JIAARN COc1cccc2cc(-c3csc(NC(=O)CCC(=O)N4CCc5ccccc5C4)n3)c(=O)oc21 ZINC000002956304 554413388 /nfs/dbraw/zinc/41/33/88/554413388.db2.gz WQRMTCNFWJCTKI-UHFFFAOYSA-N 0 0 489.553 4.229 50 0 JIAARN CCOc1ccc(N(CC(=O)NCCSc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002991234 554420693 /nfs/dbraw/zinc/42/06/93/554420693.db2.gz CGQQTRINOOYKPN-UHFFFAOYSA-N 0 0 484.643 4.498 50 0 JIAARN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCCc1ccccc1 ZINC000002995695 554421639 /nfs/dbraw/zinc/42/16/39/554421639.db2.gz PGDDXQYKLWMLQC-UHFFFAOYSA-N 0 0 460.958 4.029 50 0 JIAARN COc1ccc(CCNC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003004291 554422721 /nfs/dbraw/zinc/42/27/21/554422721.db2.gz GVEPGROOKYRCJS-UHFFFAOYSA-N 0 0 487.021 4.207 50 0 JIAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCCC4=CCCCC4)cc3[nH]c2=S)cc1OC ZINC000003630286 554467372 /nfs/dbraw/zinc/46/73/72/554467372.db2.gz ZIQCIJVUWMYOKM-UHFFFAOYSA-N 0 0 465.575 4.312 50 0 JIAARN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000004123097 554475363 /nfs/dbraw/zinc/47/53/63/554475363.db2.gz RLJKRVLTAJCMLM-UHFFFAOYSA-N 0 0 488.613 4.175 50 0 JIAARN CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1[C@H](C)Oc1ccccc1 ZINC000006135590 554507794 /nfs/dbraw/zinc/50/77/94/554507794.db2.gz RIMJEWCPIPBGOF-SFHVURJKSA-N 0 0 467.595 4.005 50 0 JIAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)Nc1nsc(-c2ccc(Cl)cc2)n1 ZINC000006143761 554509182 /nfs/dbraw/zinc/50/91/82/554509182.db2.gz ZSPNUFNSAYVLAZ-UHFFFAOYSA-N 0 0 495.977 4.012 50 0 JIAARN CCCCn1c(CSc2nnc3ccccn32)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000006147985 554511369 /nfs/dbraw/zinc/51/13/69/554511369.db2.gz SAODNBRXEAXUKS-UHFFFAOYSA-N 0 0 472.640 4.202 50 0 JIAARN O=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[S@@]2=O ZINC000006577878 554553663 /nfs/dbraw/zinc/55/36/63/554553663.db2.gz QFRJKQAEEMKJBF-SSEXGKCCSA-N 0 0 487.350 4.495 50 0 JIAARN CN1CCN(C(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@@]3=O)CC1 ZINC000006578113 554554118 /nfs/dbraw/zinc/55/41/18/554554118.db2.gz GBXCQTLVWIJXDX-UUWRZZSWSA-N 0 0 494.016 4.055 50 0 JIAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](CCSC)C(=O)NC2CCCCC2)cc1 ZINC000006924827 554562243 /nfs/dbraw/zinc/56/22/43/554562243.db2.gz JWNKZHYCAWEULR-HSZRJFAPSA-N 0 0 483.634 4.248 50 0 JIAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](CCSC)C(=O)NC2CCCCC2)cc1 ZINC000006924810 554562291 /nfs/dbraw/zinc/56/22/91/554562291.db2.gz JWNKZHYCAWEULR-QHCPKHFHSA-N 0 0 483.634 4.248 50 0 JIAARN Cc1cccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccccc4)cc3)CC2=O)c1C ZINC000008383569 554566573 /nfs/dbraw/zinc/56/65/73/554566573.db2.gz LEKLTGXHFPRHIE-QFIPXVFZSA-N 0 0 471.509 4.302 50 0 JIAARN O=C(Nc1c(C(=O)N2CCN(c3ccccc3)CC2)cnn1-c1ccccc1Cl)c1ccco1 ZINC000008396911 554571984 /nfs/dbraw/zinc/57/19/84/554571984.db2.gz KDRHOUIRAGWQOL-UHFFFAOYSA-N 0 0 475.936 4.333 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000008425276 554580221 /nfs/dbraw/zinc/58/02/21/554580221.db2.gz OWOMUGNOLFTDBP-MRCZTLKWSA-N 0 0 487.408 4.414 50 0 JIAARN CCCCCCOc1ccc(N2C(=O)C[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000008431892 554585069 /nfs/dbraw/zinc/58/50/69/554585069.db2.gz IFEGAKSFXFLWRL-HSZRJFAPSA-N 0 0 468.594 4.469 50 0 JIAARN COc1ccc(OC)c([C@@H]2C3=C(N=c4s/c(=C/c5cccc(O)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000008437195 554588196 /nfs/dbraw/zinc/58/81/96/554588196.db2.gz CLHCQUDCQDMFRG-FQKMCRJQSA-N 0 0 496.588 4.042 50 0 JIAARN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000008438210 554589184 /nfs/dbraw/zinc/58/91/84/554589184.db2.gz XJZYVHNWRZQUMA-SFHVURJKSA-N 0 0 451.596 4.445 50 0 JIAARN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cccc(OC)c5O)c(=O)n42)c2ccccc2CC3)c1 ZINC000008445224 554594648 /nfs/dbraw/zinc/59/46/48/554594648.db2.gz FLPCDCPYTBEGGN-MKWGYRPRSA-N 0 0 496.588 4.042 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc(CNc3ccccc3Cl)n2CC)c1 ZINC000008446289 554595438 /nfs/dbraw/zinc/59/54/38/554595438.db2.gz BZHNBUQCXXVDCE-UHFFFAOYSA-N 0 0 473.986 4.471 50 0 JIAARN COc1ccc(CCNC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)cc1OC ZINC000008587813 554601940 /nfs/dbraw/zinc/60/19/40/554601940.db2.gz RHMNUPGGNCTQHT-UHFFFAOYSA-N 0 0 465.575 4.076 50 0 JIAARN COc1ccc(OC)c(CCNC(=O)c2ccc(C[S@](=O)Cc3cccc(Cl)c3)o2)c1 ZINC000008589259 554602197 /nfs/dbraw/zinc/60/21/97/554602197.db2.gz UGMIJHJNXDQGQR-HKBQPEDESA-N 0 0 461.967 4.372 50 0 JIAARN CC(C)Cn1c2nnc(CCCC(=O)NCCc3ccc(Cl)cc3)n2c2ccsc2c1=O ZINC000008589744 554602367 /nfs/dbraw/zinc/60/23/67/554602367.db2.gz QFIXTPSJBKPKKC-UHFFFAOYSA-N 0 0 472.014 4.097 50 0 JIAARN O=C(c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O)N1CCOCC1 ZINC000008597371 554602975 /nfs/dbraw/zinc/60/29/75/554602975.db2.gz AMIFMYRBGKTOTG-MGBGTMOVSA-N 0 0 480.973 4.140 50 0 JIAARN COc1ccc(CCN2C(=S)N(Cc3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000008738943 554640659 /nfs/dbraw/zinc/64/06/59/554640659.db2.gz YMPYZCMPKWPHBR-DEOSSOPVSA-N 0 0 491.588 4.404 50 0 JIAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 ZINC000008745420 554648540 /nfs/dbraw/zinc/64/85/40/554648540.db2.gz HEFQGYTVCMWFGS-XMMPIXPASA-N 0 0 455.514 4.056 50 0 JIAARN O=c1[nH]c2c(s1)C1(CCCCC1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1S2 ZINC000008752082 554653864 /nfs/dbraw/zinc/65/38/64/554653864.db2.gz ZEKDHHIEDOPPFU-QWHCGFSZSA-N 0 0 465.394 4.065 50 0 JIAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(C)c21 ZINC000008765116 554665662 /nfs/dbraw/zinc/66/56/62/554665662.db2.gz MVURBCRMNHTPGJ-MOPGFXCFSA-N 0 0 472.541 4.123 50 0 biogenic JIAARN O=C([C@H]1[C@@H](c2c(F)cccc2Cl)NC(=O)N[C@@]1(O)c1ccc(Cl)cc1)C(F)(F)F ZINC000008767055 554667731 /nfs/dbraw/zinc/66/77/31/554667731.db2.gz XVNBYWYFFIBRGH-CKEIUWERSA-N 0 0 451.203 4.079 50 0 JIAARN O=C(CN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000008767358 554668055 /nfs/dbraw/zinc/66/80/55/554668055.db2.gz XPJMUGJUOFVHED-CPNJWEJPSA-N 0 0 476.385 4.379 50 0 JIAARN O=C1N(c2ccccc2)C(=O)C2(Cc3ccccc3N3CCSC[C@@H]32)C(=O)N1c1ccccc1 ZINC000008768183 554668632 /nfs/dbraw/zinc/66/86/32/554668632.db2.gz JKMVRVRVVKLTSG-HSZRJFAPSA-N 0 0 469.566 4.351 50 0 JIAARN Cc1sc2nc(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)n(C(C)C)c(=O)c2c1C ZINC000008768765 554669381 /nfs/dbraw/zinc/66/93/81/554669381.db2.gz CEAXGFJHRQZVKY-LJQANCHMSA-N 0 0 457.621 4.348 50 0 JIAARN Cc1cc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCCC4)c3)n2-c2ccccc2)no1 ZINC000008777063 554674479 /nfs/dbraw/zinc/67/44/79/554674479.db2.gz JPIAQQUNMUDZST-UHFFFAOYSA-N 0 0 481.603 4.308 50 0 JIAARN COc1cc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccnnc2)c(OC)cc1Cl ZINC000008782707 554679807 /nfs/dbraw/zinc/67/98/07/554679807.db2.gz PMALUBJFUJMRKF-QFIPXVFZSA-N 0 0 476.924 4.425 50 0 JIAARN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)cc1 ZINC000008813490 554695939 /nfs/dbraw/zinc/69/59/39/554695939.db2.gz YEXUKJCBXGFFRT-UHFFFAOYSA-N 0 0 483.678 4.045 50 0 JIAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)c4ccc5c(c4)NC(=O)CO5)cc3)ccc12 ZINC000008824186 554711022 /nfs/dbraw/zinc/71/10/22/554711022.db2.gz RMTJDAXQQSJFCR-UHFFFAOYSA-N 0 0 499.475 4.051 50 0 JIAARN COc1cc(C(=O)Nc2nccs2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008825618 554714084 /nfs/dbraw/zinc/71/40/84/554714084.db2.gz GDLURGWPYOCRSW-UHFFFAOYSA-N 0 0 451.426 4.440 50 0 JIAARN CC(C)(C)C(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000008826192 554715634 /nfs/dbraw/zinc/71/56/34/554715634.db2.gz WFWUDKSMIRREKR-UHFFFAOYSA-N 0 0 454.342 4.022 50 0 JIAARN O=C1N(c2cccc(Br)c2)[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 ZINC000008828014 554718119 /nfs/dbraw/zinc/71/81/19/554718119.db2.gz TUAOBQYHUONLPV-CVEARBPZSA-N 0 0 475.286 4.080 50 0 JIAARN O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)sc2nc(Cc3ccccc3)nn12 ZINC000008834029 554731781 /nfs/dbraw/zinc/73/17/81/554731781.db2.gz MGUCYGCYHKSEAS-QJOMJCCJSA-N 0 0 461.550 4.142 50 0 JIAARN O=C(CN1CCN(c2ccccc2F)CC1)Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1 ZINC000008844405 554741540 /nfs/dbraw/zinc/74/15/40/554741540.db2.gz JCVQCMIZSIOPQM-UHFFFAOYSA-N 0 0 475.495 4.499 50 0 JIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n[nH]2)c(O)c1C ZINC000008845686 554743429 /nfs/dbraw/zinc/74/34/29/554743429.db2.gz QSIQWFGQJQZVNM-UHFFFAOYSA-N 0 0 468.579 4.072 50 0 JIAARN COCCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3cc(Cl)ccc3O)[nH]n1)CCCC2 ZINC000008845791 554743625 /nfs/dbraw/zinc/74/36/25/554743625.db2.gz ADNSKNJTINRSQH-UHFFFAOYSA-N 0 0 474.970 4.005 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)NC3CCCCCC3)cs2)cc1 ZINC000008850455 554747521 /nfs/dbraw/zinc/74/75/21/554747521.db2.gz KAUHKEIBTSDDAY-UHFFFAOYSA-N 0 0 460.625 4.214 50 0 JIAARN Cc1ccc(S(=O)(=O)NCCC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1C ZINC000008851871 554748517 /nfs/dbraw/zinc/74/85/17/554748517.db2.gz UKTZMIZEMUDSHM-NRFANRHFSA-N 0 0 493.629 4.444 50 0 JIAARN COc1ccc(OC)c(NC(=O)Cc2csc(SCC(=O)Nc3ccc(C)cc3)n2)c1 ZINC000008852965 554749307 /nfs/dbraw/zinc/74/93/07/554749307.db2.gz JSSTVAFKIIXVJW-UHFFFAOYSA-N 0 0 457.577 4.381 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(C)cc3)n2)c1 ZINC000008853079 554749352 /nfs/dbraw/zinc/74/93/52/554749352.db2.gz GUWSIFSMIZHTGT-UHFFFAOYSA-N 0 0 454.577 4.322 50 0 JIAARN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000008862163 554759780 /nfs/dbraw/zinc/75/97/80/554759780.db2.gz WRFMIZBAKYUSJX-UHFFFAOYSA-N 0 0 480.615 4.419 50 0 JIAARN COc1ccc(COc2ccc([C@H]3[C@H](S(=O)(=O)c4ccccc4)CON3C)cc2OC)cc1 ZINC000008873807 554770474 /nfs/dbraw/zinc/77/04/74/554770474.db2.gz NELPYWVWMMZRHW-RPBOFIJWSA-N 0 0 469.559 4.043 50 0 JIAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)C1=O ZINC000008875157 554770906 /nfs/dbraw/zinc/77/09/06/554770906.db2.gz DZWXOCNWORARQR-WMRWHDLOSA-N 0 0 498.557 4.009 50 0 JIAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCCc1ccccc1 ZINC000008876408 554771697 /nfs/dbraw/zinc/77/16/97/554771697.db2.gz DLSXBFKCAFBQHX-QHWMMSMNSA-N 0 0 493.673 4.315 50 0 biogenic JIAARN Cc1oc2c(cc3c(C)c(CC(=O)N4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c(=O)oc3c2C)c1C ZINC000008877041 554772253 /nfs/dbraw/zinc/77/22/53/554772253.db2.gz JYAIZFYTNTTZLE-MOPGFXCFSA-N 0 0 472.541 4.123 50 0 biogenic JIAARN O=C(c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCN(c2ccccn2)CC1 ZINC000008877858 554773296 /nfs/dbraw/zinc/77/32/96/554773296.db2.gz SVGHPERTELPMAF-UHFFFAOYSA-N 0 0 478.478 4.311 50 0 JIAARN Cc1cc(CSc2ncccc2C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)no1 ZINC000008879333 554774905 /nfs/dbraw/zinc/77/49/05/554774905.db2.gz GUQROGOUNBJGAW-UHFFFAOYSA-N 0 0 486.619 4.343 50 0 JIAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)C1=O ZINC000008880415 554775778 /nfs/dbraw/zinc/77/57/78/554775778.db2.gz NSQHAZCLGMBPHY-NBGIEHNGSA-N 0 0 476.920 4.078 50 0 JIAARN COc1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000008880738 554776105 /nfs/dbraw/zinc/77/61/05/554776105.db2.gz RVGNRIJFFVCROV-UHFFFAOYSA-N 0 0 492.519 4.221 50 0 JIAARN CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)N3c4ccccc4NC(=O)C3(C)C)cc2)cc1 ZINC000008881520 554776720 /nfs/dbraw/zinc/77/67/20/554776720.db2.gz LIJKAAOYRHOCDH-UHFFFAOYSA-N 0 0 472.497 4.200 50 0 JIAARN CCOc1cc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)ccc1O ZINC000008884604 554778838 /nfs/dbraw/zinc/77/88/38/554778838.db2.gz DRUYVZHFGOZXAN-LLVKDONJSA-N 0 0 455.294 4.026 50 0 JIAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N(Cc4ccccc4)C(C)(C)C)C3=O)ccc2c1 ZINC000008890802 554780174 /nfs/dbraw/zinc/78/01/74/554780174.db2.gz NTYFURBGWSSJMP-NDEPHWFRSA-N 0 0 473.573 4.443 50 0 JIAARN O=C(Nc1cccc(C(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1)c1cccs1 ZINC000008896295 554785837 /nfs/dbraw/zinc/78/58/37/554785837.db2.gz GOPSBBSHGHDKJO-UHFFFAOYSA-N 0 0 496.548 4.141 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN3CCc4cc(OC)c(OC)cc4C3)[C@H](c3ccco3)C2)cc1 ZINC000008899143 554789998 /nfs/dbraw/zinc/78/99/98/554789998.db2.gz RYLFKBZNSKMFOY-QHCPKHFHSA-N 0 0 475.545 4.041 50 0 JIAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000008900309 554792422 /nfs/dbraw/zinc/79/24/22/554792422.db2.gz LORQMEAKFNJTIZ-QHCPKHFHSA-N 0 0 468.600 4.180 50 0 JIAARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)sc2nc(-c4ccc(F)cc4)cn32)CC1 ZINC000008911896 554801246 /nfs/dbraw/zinc/80/12/46/554801246.db2.gz WSRHPQYWUJILTJ-UHFFFAOYSA-N 0 0 452.511 4.269 50 0 JIAARN COc1ccc(CCNC(=O)Cn2c3cccnc3nc2SCc2ccc(F)cc2)cc1OC ZINC000008911952 554801424 /nfs/dbraw/zinc/80/14/24/554801424.db2.gz VJXUNXQSOYDFOE-UHFFFAOYSA-N 0 0 480.565 4.239 50 0 JIAARN Cc1nc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4)CC3)ccc2n1C1CCCC1 ZINC000008912171 554801871 /nfs/dbraw/zinc/80/18/71/554801871.db2.gz ZTGGNAIHBURCLC-UHFFFAOYSA-N 0 0 480.634 4.177 50 0 JIAARN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)CC2)s1 ZINC000008912670 554803257 /nfs/dbraw/zinc/80/32/57/554803257.db2.gz FMIIOENAJIIJNQ-UHFFFAOYSA-N 0 0 499.084 4.473 50 0 JIAARN CN1CCN(C(=O)c2ccc(Cn3c4cnccc4nc3SCc3ccc(F)cc3)cc2)CC1 ZINC000008913613 554806302 /nfs/dbraw/zinc/80/63/02/554806302.db2.gz AYXOSLQPBGDAMO-UHFFFAOYSA-N 0 0 475.593 4.299 50 0 JIAARN COCCCNC(=O)c1c(NC(=O)c2cc(=O)c3ccc(C)cc3o2)sc2c1CCCC2 ZINC000008915366 554808861 /nfs/dbraw/zinc/80/88/61/554808861.db2.gz JEDSLTHMXANNQK-UHFFFAOYSA-N 0 0 454.548 4.060 50 0 JIAARN CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)cc(=O)c2c1 ZINC000008917635 554813039 /nfs/dbraw/zinc/81/30/39/554813039.db2.gz XYTWXXFLTSSIRC-UHFFFAOYSA-N 0 0 462.527 4.433 50 0 JIAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(Cc2ccc(Cl)c(Cl)c2)C(=O)[C@]31C ZINC000008918329 554814802 /nfs/dbraw/zinc/81/48/02/554814802.db2.gz ITYVHKBYSUULBK-QHCPKHFHSA-N 0 0 458.345 4.126 50 0 biogenic JIAARN CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)c1 ZINC000008922336 554819168 /nfs/dbraw/zinc/81/91/68/554819168.db2.gz RIVCQBYCTCBBLD-UHFFFAOYSA-N 0 0 477.469 4.236 50 0 JIAARN CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccccc3)cc2)CC1=O ZINC000008923291 554820384 /nfs/dbraw/zinc/82/03/84/554820384.db2.gz SGTUSCRTRRMAMY-QFIPXVFZSA-N 0 0 471.509 4.247 50 0 JIAARN O=C(CN1c2ccccc2S(=O)(=O)[C@@H](c2ccccc2)CC1=O)Nc1cccc(Cl)c1 ZINC000008931852 554826008 /nfs/dbraw/zinc/82/60/08/554826008.db2.gz GNRQYOKRGNNMSK-OAQYLSRUSA-N 0 0 454.935 4.230 50 0 JIAARN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000008937092 554830764 /nfs/dbraw/zinc/83/07/64/554830764.db2.gz ITFFUPYJBPGVHZ-UHFFFAOYSA-N 0 0 461.905 4.130 50 0 JIAARN COc1ccccc1N(C(C)=O)c1nc(CSc2nnc(-c3ccc(F)cc3)n2N)cs1 ZINC000008942652 554832138 /nfs/dbraw/zinc/83/21/38/554832138.db2.gz FNIGCEWDMLYORT-UHFFFAOYSA-N 0 0 470.555 4.240 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c(C)c1 ZINC000008961504 554837886 /nfs/dbraw/zinc/83/78/86/554837886.db2.gz QFSFBCMMNAYOSS-UHFFFAOYSA-N 0 0 465.531 4.445 50 0 JIAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)Nc1ccnn1C1CCCC1 ZINC000008966075 554841939 /nfs/dbraw/zinc/84/19/39/554841939.db2.gz PXQRAISLWBVYAX-UHFFFAOYSA-N 0 0 459.579 4.431 50 0 JIAARN O=C(CSc1nnnn1-c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000008966211 554842123 /nfs/dbraw/zinc/84/21/23/554842123.db2.gz ULKUVMYMZDYBMN-INIZCTEOSA-N 0 0 452.590 4.255 50 0 JIAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)OCc4cc(=O)n5cc(Br)ccc5n4)cc3c2C1 ZINC000008981806 554847023 /nfs/dbraw/zinc/84/70/23/554847023.db2.gz LLIOAXNVVWRMEC-CYBMUJFWSA-N 0 0 466.335 4.420 50 0 JIAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000008987415 554849888 /nfs/dbraw/zinc/84/98/88/554849888.db2.gz SYSZDFWCYQPOMY-HXUWFJFHSA-N 0 0 456.011 4.446 50 0 JIAARN COc1ccccc1OCC(=O)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000008994554 554854513 /nfs/dbraw/zinc/85/45/13/554854513.db2.gz GBJCTGFCFLVPRY-LJQANCHMSA-N 0 0 489.977 4.203 50 0 JIAARN Oc1c2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2c(O)n1-c1cccc(F)c1 ZINC000009014162 554865498 /nfs/dbraw/zinc/86/54/98/554865498.db2.gz SEHUSYPUJNXBOD-FPOVZHCZSA-N 0 0 464.294 4.371 50 0 JIAARN CCc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2c(F)cccc2Cl)c4=O)cc1 ZINC000009014861 554865509 /nfs/dbraw/zinc/86/55/09/554865509.db2.gz CMSCUQZCEAMTGN-OAHLLOKOSA-N 0 0 481.959 4.088 50 0 JIAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009034029 554868328 /nfs/dbraw/zinc/86/83/28/554868328.db2.gz HNBKFLMKTIMSBH-XOBRGWDASA-N 0 0 498.841 4.175 50 0 biogenic JIAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc(-c3cn4ccsc4n3)cc1)C2=O ZINC000009056624 554875295 /nfs/dbraw/zinc/87/52/95/554875295.db2.gz LBUKFGTWQMUSOJ-OWJWWREXSA-N 0 0 465.579 4.138 50 0 JIAARN CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000009058869 554877659 /nfs/dbraw/zinc/87/76/59/554877659.db2.gz WYENAOCVRLHAJH-PQRZKXTNSA-N 0 0 493.673 4.313 50 0 biogenic JIAARN Cc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c4=O)cc1 ZINC000009088892 554890280 /nfs/dbraw/zinc/89/02/80/554890280.db2.gz TYFHDWKYGMCJQS-OAHLLOKOSA-N 0 0 484.387 4.348 50 0 JIAARN C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000009095013 554892667 /nfs/dbraw/zinc/89/26/67/554892667.db2.gz YFDMMSUYCMQPNJ-INIZCTEOSA-N 0 0 456.951 4.497 50 0 JIAARN COc1ccc(-c2noc(CN(C(=O)c3ccc4c(c3)OCO4)C3CCCCC3)n2)cc1OC ZINC000009095335 554893072 /nfs/dbraw/zinc/89/30/72/554893072.db2.gz QAQYBLKMFRCRJU-UHFFFAOYSA-N 0 0 465.506 4.458 50 0 JIAARN CCc1nnc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)n2-c2ccccc2)s1 ZINC000009095817 554893923 /nfs/dbraw/zinc/89/39/23/554893923.db2.gz DLBSYOVPMAVCCG-UHFFFAOYSA-N 0 0 466.592 4.011 50 0 JIAARN C[C@@H](Sc1nnc(COc2ccccc2F)n1-c1ccccc1)C(=O)NCc1ccco1 ZINC000009111848 554899466 /nfs/dbraw/zinc/89/94/66/554899466.db2.gz AFKAUFZXBBRIHF-MRXNPFEDSA-N 0 0 452.511 4.375 50 0 JIAARN CC(C)Oc1ccc(CNC(=O)CCCN2c3ncccc3O[C@@H](c3ccccc3)C2=O)cc1 ZINC000009114938 554901671 /nfs/dbraw/zinc/90/16/71/554901671.db2.gz KNZTYPPAVSCMEO-VWLOTQADSA-N 0 0 459.546 4.432 50 0 JIAARN CC(C)Oc1ccc(CNC(=O)CCCN2c3ncccc3O[C@H](c3ccccc3)C2=O)cc1 ZINC000009114937 554901725 /nfs/dbraw/zinc/90/17/25/554901725.db2.gz KNZTYPPAVSCMEO-RUZDIDTESA-N 0 0 459.546 4.432 50 0 JIAARN O=C(c1ccc(C[S@@](=O)Cc2ccc(Cl)cc2)o1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009115838 554902902 /nfs/dbraw/zinc/90/29/02/554902902.db2.gz CJIQTIDWCSUUNG-WJOKGBTCSA-N 0 0 460.958 4.483 50 0 JIAARN COc1ccc(Br)cc1CNC(=O)CCC(=O)N1C[C@H](C)Sc2ccccc21 ZINC000009115931 554903009 /nfs/dbraw/zinc/90/30/09/554903009.db2.gz VJSHNICKEJWHCU-AWEZNQCLSA-N 0 0 463.397 4.382 50 0 JIAARN O=C(c1ccc(C[S@@](=O)Cc2cccc(Cl)c2)o1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009115885 554903071 /nfs/dbraw/zinc/90/30/71/554903071.db2.gz YRUMZFLMABKUKD-WJOKGBTCSA-N 0 0 460.958 4.483 50 0 JIAARN O=C(NCc1cccc(F)c1)[C@@H]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1 ZINC000009117610 554907326 /nfs/dbraw/zinc/90/73/26/554907326.db2.gz OOWSTASJPVOGNV-QGZVFWFLSA-N 0 0 453.518 4.269 50 0 JIAARN COc1ccc(CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1OC ZINC000009118003 554907726 /nfs/dbraw/zinc/90/77/26/554907726.db2.gz CSULAFJHJUBKCK-UHFFFAOYSA-N 0 0 451.489 4.393 50 0 JIAARN CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2ccc(C)c(C)c2)cn3C2CC2)CC1 ZINC000009118121 554907816 /nfs/dbraw/zinc/90/78/16/554907816.db2.gz YNWWEKDFJVSZOD-UHFFFAOYSA-N 0 0 476.552 4.013 50 0 JIAARN CCN(CCCNC(=O)[C@@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1)c1cccc(C)c1 ZINC000009118947 554909354 /nfs/dbraw/zinc/90/93/54/554909354.db2.gz NAMROFNXIZLWLL-JOCHJYFZSA-N 0 0 477.609 4.303 50 0 JIAARN Cc1cc(C)c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c(Cl)c1 ZINC000009125083 554917126 /nfs/dbraw/zinc/91/71/26/554917126.db2.gz RWHVMTOHWFFZRO-UHFFFAOYSA-N 0 0 478.998 4.317 50 0 JIAARN CCOC(=O)C1=C(COC(=O)CCCc2nc3ccccc3s2)NC(=O)N[C@@H]1c1cccs1 ZINC000009126026 554919262 /nfs/dbraw/zinc/91/92/62/554919262.db2.gz QFCJVAFXZVQONJ-OAQYLSRUSA-N 0 0 485.587 4.095 50 0 JIAARN CCOC(=O)C1=C(COC(=O)CCCc2nc3ccccc3s2)NC(=O)N[C@H]1c1cccs1 ZINC000009126027 554919298 /nfs/dbraw/zinc/91/92/98/554919298.db2.gz QFCJVAFXZVQONJ-NRFANRHFSA-N 0 0 485.587 4.095 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC1CCCCC1 ZINC000009129476 554927763 /nfs/dbraw/zinc/92/77/63/554927763.db2.gz WBSYZTWNFIGSSA-OCAQFLDPSA-N 0 0 457.640 4.015 50 0 JIAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)n2Cc2ccco2)c1 ZINC000009130798 554930884 /nfs/dbraw/zinc/93/08/84/554930884.db2.gz FTTNQEQBOYFWAQ-UHFFFAOYSA-N 0 0 489.601 4.462 50 0 JIAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ncnc2scc(-c3ccccc3)c21 ZINC000009130894 554931103 /nfs/dbraw/zinc/93/11/03/554931103.db2.gz IFBXUTABRALNHG-UHFFFAOYSA-N 0 0 459.575 4.270 50 0 JIAARN Cc1cc(C(=O)COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)c(C)n1C1CC1 ZINC000009137228 554933129 /nfs/dbraw/zinc/93/31/29/554933129.db2.gz YZGCGWPYWSDHMD-UHFFFAOYSA-N 0 0 455.514 4.238 50 0 JIAARN CCc1ccc(NC(=O)Cn2c3c4cc(OC)ccc4n(C)c3c(=O)n(-c3ccc(C)cc3)c2=O)cc1 ZINC000009153691 554943909 /nfs/dbraw/zinc/94/39/09/554943909.db2.gz SRPQEHXHGPBRCJ-UHFFFAOYSA-N 0 0 496.567 4.162 50 0 JIAARN CCc1cccc(NC(=O)Cn2c3c4cc(OC)ccc4n(C)c3c(=O)n(-c3ccc(C)cc3)c2=O)c1 ZINC000009153704 554943924 /nfs/dbraw/zinc/94/39/24/554943924.db2.gz BOJMSYQSGABULK-UHFFFAOYSA-N 0 0 496.567 4.162 50 0 JIAARN C[C@@H](Sc1nc(=O)c2c(-c3cccs3)csc2[nH]1)C(=O)NC(=O)NC1CCCCC1 ZINC000009154023 554944651 /nfs/dbraw/zinc/94/46/51/554944651.db2.gz LFFZWSUJOBZNIQ-LLVKDONJSA-N 0 0 462.622 4.352 50 0 JIAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1ccc(-n2ccnc2)cc1 ZINC000009157023 554946497 /nfs/dbraw/zinc/94/64/97/554946497.db2.gz VYUMMFBZMRBGGL-LJQANCHMSA-N 0 0 466.607 4.317 50 0 JIAARN CCCCn1c(CCC(=O)Nc2cccc(C(C)=O)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009157122 554946670 /nfs/dbraw/zinc/94/66/70/554946670.db2.gz CJPABHLCPFETBR-UHFFFAOYSA-N 0 0 496.633 4.395 50 0 JIAARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccccn5)nc4c32)cc1OC ZINC000009159841 554949508 /nfs/dbraw/zinc/94/95/08/554949508.db2.gz GNGFMXTUORAVRL-NRFANRHFSA-N 0 0 453.458 4.195 50 0 JIAARN CCCN1c2ccc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)cc2OCC(C)(C)C1=O ZINC000009167764 554952083 /nfs/dbraw/zinc/95/20/83/554952083.db2.gz DEOMGNLSJIDJKE-UHFFFAOYSA-N 0 0 473.595 4.244 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1OC ZINC000009169281 554952926 /nfs/dbraw/zinc/95/29/26/554952926.db2.gz INJLQRZOWWQXQM-UHFFFAOYSA-N 0 0 476.595 4.302 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=S)NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000009183526 554955805 /nfs/dbraw/zinc/95/58/05/554955805.db2.gz YJQOGTOYVZOZIZ-UHFFFAOYSA-N 0 0 493.969 4.415 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3F)ccc2N2CCCC2)cc1 ZINC000009183549 554955836 /nfs/dbraw/zinc/95/58/36/554955836.db2.gz CQPBUKNOOIVIBH-UHFFFAOYSA-N 0 0 469.538 4.488 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3c(Cl)nc4sccn43)c2)cc1 ZINC000009183567 554956109 /nfs/dbraw/zinc/95/61/09/554956109.db2.gz IPCURZLPGGOSGO-UHFFFAOYSA-N 0 0 476.967 4.419 50 0 JIAARN Cn1nnc2c1nc(Cc1ccc(Cl)cc1Cl)nc2NCc1nc2ccccc2n1C ZINC000009184738 554956721 /nfs/dbraw/zinc/95/67/21/554956721.db2.gz AWTLTSHBNVDZCE-UHFFFAOYSA-N 0 0 453.337 4.155 50 0 JIAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4nc5ccc(C)cc5s4)CC3)CC2=O)cc1 ZINC000009191062 554962926 /nfs/dbraw/zinc/96/29/26/554962926.db2.gz PWXHBCPCGAHEHH-LJQANCHMSA-N 0 0 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Cc1c(-c2nsc(NC(=O)c3ccc(Br)cc3)n2)nnn1-c1cc(F)ccc1F ZINC000009638413 555346940 /nfs/dbraw/zinc/34/69/40/555346940.db2.gz VRNGLDIRQBQFAT-UHFFFAOYSA-N 0 0 477.294 4.387 50 0 JIAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)CSc2ccc3ccccc3c2)c(=O)[nH]c1=O ZINC000013147810 555347295 /nfs/dbraw/zinc/34/72/95/555347295.db2.gz VPNXLTBOMQRNDC-UHFFFAOYSA-N 0 0 468.623 4.244 50 0 JIAARN COc1ccc(C(=O)COC(=O)c2ccc(-n3nc(SC)sc3=S)cc2)cc1OC ZINC000013147861 555347597 /nfs/dbraw/zinc/34/75/97/555347597.db2.gz CGPBJMPSQUGGGR-UHFFFAOYSA-N 0 0 462.574 4.442 50 0 JIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)s1 ZINC000009549599 555347966 /nfs/dbraw/zinc/34/79/66/555347966.db2.gz ZVJMFYPTBPHSPR-IQGLISFBSA-N 0 0 453.608 4.129 50 0 JIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)s1 ZINC000009549601 555348003 /nfs/dbraw/zinc/34/80/03/555348003.db2.gz IVNQBMUKNVSPID-NDEPHWFRSA-N 0 0 487.625 4.411 50 0 JIAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c1)CS2 ZINC000013148514 555349689 /nfs/dbraw/zinc/34/96/89/555349689.db2.gz RDQPKOOHFNVMKA-DYESRHJHSA-N 0 0 463.481 4.350 50 0 JIAARN Cc1cc(C)cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OCC(F)(F)F)c1 ZINC000013149004 555351045 /nfs/dbraw/zinc/35/10/45/555351045.db2.gz YDSXCLQUNYRGPZ-UHFFFAOYSA-N 0 0 456.486 4.281 50 0 JIAARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccc3c(c2)OCO3)c1S(=O)(=O)c1ccc(C)cc1 ZINC000009558998 555351955 /nfs/dbraw/zinc/35/19/55/555351955.db2.gz XJLWLNJNGHVBFZ-UHFFFAOYSA-N 0 0 456.520 4.036 50 0 JIAARN COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)NCc3ccc(C)cc3)c3ccccc3C(=O)N1CC2 ZINC000009559262 555353522 /nfs/dbraw/zinc/35/35/22/555353522.db2.gz YHVRRTDNZJIJFW-UIOOFZCWSA-N 0 0 456.542 4.165 50 0 JIAARN Cc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)cc1 ZINC000009559389 555354118 /nfs/dbraw/zinc/35/41/18/555354118.db2.gz IFSXNGDVSRXDKQ-IBGZPJMESA-N 0 0 479.421 4.155 50 0 JIAARN CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1 ZINC000009559472 555354503 /nfs/dbraw/zinc/35/45/03/555354503.db2.gz AQMNJNDLTCVFLU-CQSZACIVSA-N 0 0 457.415 4.112 50 0 JIAARN CCc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)c1 ZINC000009559492 555354645 /nfs/dbraw/zinc/35/46/45/555354645.db2.gz OJRBVIZJZCOCIS-CQSZACIVSA-N 0 0 457.415 4.112 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000009559502 555354685 /nfs/dbraw/zinc/35/46/85/555354685.db2.gz IQRRWHYKMFXLII-LLVKDONJSA-N 0 0 493.832 4.212 50 0 JIAARN C[C@H](NC(=O)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1)c1ccccc1 ZINC000009559547 555354700 /nfs/dbraw/zinc/35/47/00/555354700.db2.gz WXGHXQZHBMKFBW-UQPPLGOBSA-N 0 0 485.469 4.473 50 0 JIAARN CCOc1ccccc1NC(=O)N1CCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc32)CC1 ZINC000009642412 555355042 /nfs/dbraw/zinc/35/50/42/555355042.db2.gz IVHPVICMHPFGEK-UHFFFAOYSA-N 0 0 471.565 4.185 50 0 JIAARN O=C1CCCN1c1ccc(S(=O)(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc32)cc1 ZINC000013163395 555361311 /nfs/dbraw/zinc/36/13/11/555361311.db2.gz KFHSHEUFFOIAHU-OAQYLSRUSA-N 0 0 465.600 4.467 50 0 JIAARN Brc1ccc(-c2nnc(CSc3nnc(NC[C@@H]4CCCO4)s3)o2)cc1 ZINC000013163449 555361590 /nfs/dbraw/zinc/36/15/90/555361590.db2.gz NFLJWPBLVSFXMD-LBPRGKRZSA-N 0 0 454.375 4.234 50 0 JIAARN O=C(COc1ccc(Br)cc1Br)Nc1ccccc1N1CCCC1=O ZINC000009653629 555362482 /nfs/dbraw/zinc/36/24/82/555362482.db2.gz SVWWZSKHGNPIIE-UHFFFAOYSA-N 0 0 468.145 4.356 50 0 JIAARN CCOc1cc(CNc2ccc(N3CCOCC3)c(Cl)c2)ccc1OCC(=O)NC(C)(C)C ZINC000009562483 555363297 /nfs/dbraw/zinc/36/32/97/555363297.db2.gz LNXQYHXTUYFJJC-UHFFFAOYSA-N 0 0 476.017 4.481 50 0 JIAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc(-c2ccccc2Cl)n1N ZINC000013164099 555363774 /nfs/dbraw/zinc/36/37/74/555363774.db2.gz MVEFCHOHBFRGSU-GFCCVEGCSA-N 0 0 459.000 4.234 50 0 JIAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)CC(=O)Nc2cccc3ccccc32)cc1 ZINC000013164154 555363973 /nfs/dbraw/zinc/36/39/73/555363973.db2.gz SGABLNIBYGGTFA-IBGZPJMESA-N 0 0 479.602 4.114 50 0 JIAARN O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)Nc1cccc2ccccc21 ZINC000009660662 555364508 /nfs/dbraw/zinc/36/45/08/555364508.db2.gz IZXLQXJWBUBCLL-UHFFFAOYSA-N 0 0 470.916 4.052 50 0 JIAARN Cc1nc(COc2ccccc2C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cs1 ZINC000013164552 555365471 /nfs/dbraw/zinc/36/54/71/555365471.db2.gz FVFNQXRUOLCSPN-UHFFFAOYSA-N 0 0 471.604 4.457 50 0 JIAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2 ZINC000009569495 555367583 /nfs/dbraw/zinc/36/75/83/555367583.db2.gz CEWBCMKJDIBNNL-UHFFFAOYSA-N 0 0 460.552 4.076 50 0 JIAARN CCc1ccc(NC(=O)c2sc(NCCOC)c(C(=O)Nc3ccc(Cl)cc3)c2N)cc1 ZINC000013165451 555368815 /nfs/dbraw/zinc/36/88/15/555368815.db2.gz RHUSXACHKBDWKS-HXUWFJFHSA-N 0 0 472.998 4.062 50 0 JIAARN CSc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 ZINC000009662709 555368981 /nfs/dbraw/zinc/36/89/81/555368981.db2.gz FLZRNCLLNXWYQR-UHFFFAOYSA-N 0 0 474.652 4.221 50 0 JIAARN O=c1/c(=C2/c3cc(Br)ccc3N(Cc3ccccc3)C2=O)sc2nc3ccccc3n12 ZINC000013204957 555369530 /nfs/dbraw/zinc/36/95/30/555369530.db2.gz XDUYHAHOEUROFW-QZQOTICOSA-N 0 0 488.366 4.136 50 0 JIAARN CS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)c2)nn1 ZINC000009572678 555369770 /nfs/dbraw/zinc/36/97/70/555369770.db2.gz VIXOYDSINYNBGV-UHFFFAOYSA-N 0 0 481.555 4.140 50 0 JIAARN COc1ccccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 ZINC000009662907 555370045 /nfs/dbraw/zinc/37/00/45/555370045.db2.gz NBUCYWLAARLTEV-UHFFFAOYSA-N 0 0 457.596 4.112 50 0 JIAARN O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1cccc(Cl)c1 ZINC000009573659 555370352 /nfs/dbraw/zinc/37/03/52/555370352.db2.gz MPVQMLBAODJHTF-UHFFFAOYSA-N 0 0 473.961 4.471 50 0 JIAARN COc1ccc(C)cc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O ZINC000009663980 555372430 /nfs/dbraw/zinc/37/24/30/555372430.db2.gz KNSJDBJDVULKJI-UHFFFAOYSA-N 0 0 472.497 4.217 50 0 JIAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)N1CCC(c2ccccc2)=N1 ZINC000009664512 555373984 /nfs/dbraw/zinc/37/39/84/555373984.db2.gz SHINMKMBIQKNOV-UHFFFAOYSA-N 0 0 454.559 4.117 50 0 JIAARN O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1cccc(Br)c1 ZINC000009666210 555378055 /nfs/dbraw/zinc/37/80/55/555378055.db2.gz NVMJUFRZJSLWMZ-UHFFFAOYSA-N 0 0 479.286 4.045 50 0 JIAARN Cc1oc2cc(OCC(=O)Nc3sc4c(c3C(N)=O)CCC4)ccc2c(=O)c1-c1ccccc1 ZINC000009578530 555379834 /nfs/dbraw/zinc/37/98/34/555379834.db2.gz VFTYXRPGRJGLHG-UHFFFAOYSA-N 0 0 474.538 4.435 50 0 JIAARN O=S(=O)(c1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1)N1CCCCCC1 ZINC000009666748 555379855 /nfs/dbraw/zinc/37/98/55/555379855.db2.gz OYGUWMZJOLAOJE-UHFFFAOYSA-N 0 0 471.652 4.284 50 0 JIAARN Cc1ccc(NC(=O)Cc2nc(CSc3nn4c(nnc(C(C)(C)C)c4=O)s3)cs2)cc1 ZINC000009578709 555380687 /nfs/dbraw/zinc/38/06/87/555380687.db2.gz XQZFWNFOHWIFGG-UHFFFAOYSA-N 0 0 486.648 4.082 50 0 JIAARN CC1CCC(NC(=O)C2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)CC2)CC1 ZINC000013352823 555381275 /nfs/dbraw/zinc/38/12/75/555381275.db2.gz XNPVYCJYYRCGAF-UHFFFAOYSA-N 0 0 483.634 4.035 50 0 JIAARN COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)NCc1ccccc1 ZINC000009668044 555381798 /nfs/dbraw/zinc/38/17/98/555381798.db2.gz QDTGHXFEMUZNAS-UHFFFAOYSA-N 0 0 479.385 4.411 50 0 JIAARN C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009579191 555382516 /nfs/dbraw/zinc/38/25/16/555382516.db2.gz NSJHPXXVFBAURM-MRXNPFEDSA-N 0 0 462.531 4.477 50 0 JIAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C(C)(C)C)ccc3OC)n2N)cc1 ZINC000009669427 555383681 /nfs/dbraw/zinc/38/36/81/555383681.db2.gz QFNWUWLGIXNTNP-UHFFFAOYSA-N 0 0 455.584 4.095 50 0 JIAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2)ccc1OC(F)F ZINC000009579782 555383936 /nfs/dbraw/zinc/38/39/36/555383936.db2.gz OGUFBUDYIZTQSS-KRWDZBQOSA-N 0 0 453.898 4.382 50 0 JIAARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2)ccc1OC(F)F ZINC000009579784 555384021 /nfs/dbraw/zinc/38/40/21/555384021.db2.gz OGUFBUDYIZTQSS-QGZVFWFLSA-N 0 0 453.898 4.382 50 0 JIAARN CCCCNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)CC1 ZINC000013357301 555384047 /nfs/dbraw/zinc/38/40/47/555384047.db2.gz WRYAPANLZIYDRV-UHFFFAOYSA-N 0 0 485.650 4.181 50 0 JIAARN COc1ccc([C@H]2CCCCCN2C(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)cc1 ZINC000009669598 555384254 /nfs/dbraw/zinc/38/42/54/555384254.db2.gz MPAWHTIVSKXTED-AREMUKBSSA-N 0 0 498.645 4.442 50 0 JIAARN CCc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000009580264 555385517 /nfs/dbraw/zinc/38/55/17/555385517.db2.gz UTCOUQAQYMLKCX-UHFFFAOYSA-N 0 0 471.557 4.007 50 0 JIAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2c(OC)ccc3ccccc32)c1 ZINC000009580574 555386301 /nfs/dbraw/zinc/38/63/01/555386301.db2.gz QGEDWZFYBRRXEC-QHCPKHFHSA-N 0 0 463.559 4.297 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)Nc4cccc(C)c4C)sc3C2)cc1 ZINC000013360628 555386345 /nfs/dbraw/zinc/38/63/45/555386345.db2.gz JBTLRXUZSZNZGB-UHFFFAOYSA-N 0 0 472.592 4.160 50 0 JIAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ncc(Cc3ccccc3)s2)C1=O ZINC000009670324 555386895 /nfs/dbraw/zinc/38/68/95/555386895.db2.gz ZVHMRWNWQRQJDJ-SANMLTNESA-N 0 0 470.554 4.293 50 0 JIAARN COc1cccc(C(=O)CSc2nnc(CCNC(=O)c3ccc(Cl)c(Cl)c3)n2C)c1 ZINC000009582761 555389706 /nfs/dbraw/zinc/38/97/06/555389706.db2.gz QYADIWLPHVLBFE-UHFFFAOYSA-N 0 0 479.389 4.078 50 0 JIAARN Clc1ccc(-c2nnc(SCc3nnnn3-c3ccccc3)n2C[C@H]2CCCO2)cc1 ZINC000009583103 555390483 /nfs/dbraw/zinc/39/04/83/555390483.db2.gz WPGPMWUZKNHMCH-GOSISDBHSA-N 0 0 453.959 4.046 50 0 JIAARN NC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 ZINC000009583091 555390488 /nfs/dbraw/zinc/39/04/88/555390488.db2.gz IBXDRWWMUGCKPE-UHFFFAOYSA-N 0 0 453.543 4.419 50 0 JIAARN O=C(CSc1nnc2sc3ccccc3n12)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009671380 555390880 /nfs/dbraw/zinc/39/08/80/555390880.db2.gz AXCNLDZUHSFKIA-HNNXBMFYSA-N 0 0 452.561 4.171 50 0 JIAARN Cc1ccc(C)c(-c2nn([C@H](C)C(=O)NCc3ccc4c(c3)OCO4)c(=O)c3ccccc32)c1 ZINC000009671563 555391506 /nfs/dbraw/zinc/39/15/06/555391506.db2.gz QPYOUZNRFCQOAQ-GOSISDBHSA-N 0 0 455.514 4.286 50 0 JIAARN COc1cccc(C(=O)Nc2nnc(CCS(=O)(=O)c3cc(Cl)ccc3Cl)s2)c1 ZINC000013371525 555392308 /nfs/dbraw/zinc/39/23/08/555392308.db2.gz QYQABYDDZYMASR-UHFFFAOYSA-N 0 0 472.375 4.122 50 0 JIAARN CCOc1ccc(CCNC(=O)COC(=O)CCCc2nc3ccccc3s2)cc1OCC ZINC000009671813 555392425 /nfs/dbraw/zinc/39/24/25/555392425.db2.gz BHVWECNTLVURTI-UHFFFAOYSA-N 0 0 470.591 4.319 50 0 JIAARN O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)Nc1ccc(N2CCOCC2)cc1 ZINC000009584972 555394160 /nfs/dbraw/zinc/39/41/60/555394160.db2.gz UFEVASMMVFNGQG-UHFFFAOYSA-N 0 0 488.569 4.233 50 0 JIAARN COc1ccc(S[C@H]2CC(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C2=O)cc1 ZINC000013397127 555395099 /nfs/dbraw/zinc/39/50/99/555395099.db2.gz ASPVRCZWEUOXDB-HNNXBMFYSA-N 0 0 459.877 4.094 50 0 JIAARN CC(=O)N1N=C(COc2ccc(Cl)cc2)O[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000009586376 555396854 /nfs/dbraw/zinc/39/68/54/555396854.db2.gz VJCIWWLSSYRBHC-GOSISDBHSA-N 0 0 453.676 4.101 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](C(=O)N(C)c1ccc(Cl)cc1)[C@H](c1cccnc1)N(C)C2=O ZINC000009673504 555397310 /nfs/dbraw/zinc/39/73/10/555397310.db2.gz UURPSMWQGJCJJW-PKTZIBPZSA-N 0 0 465.937 4.326 50 0 JIAARN 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Cc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)Cn1nc(C)c2ccccc2c1=O ZINC000019855340 555512455 /nfs/dbraw/zinc/51/24/55/555512455.db2.gz LTXGNHVKGGCVNR-UHFFFAOYSA-N 0 0 478.556 4.022 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009795566 555513109 /nfs/dbraw/zinc/51/31/09/555513109.db2.gz VKJYPNHGSJNORB-UHFFFAOYSA-N 0 0 480.634 4.326 50 0 JIAARN COc1ccc(C2N=NC(=S)N2CC(=O)Nc2nc(-c3ccc(OC)c(F)c3)cs2)cc1 ZINC000009803111 555516343 /nfs/dbraw/zinc/51/63/43/555516343.db2.gz IFRNRKDWZPCNAM-UHFFFAOYSA-N 0 0 471.539 4.152 50 0 JIAARN O=S(=O)(c1cccc(-c2nnc(SCc3nc(-c4ccccc4)no3)o2)c1)N1CCCCC1 ZINC000009812690 555520471 /nfs/dbraw/zinc/52/04/71/555520471.db2.gz SFUZKNOLNZTFEZ-UHFFFAOYSA-N 0 0 483.575 4.254 50 0 JIAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC1CCCCC1 ZINC000013591543 555526187 /nfs/dbraw/zinc/52/61/87/555526187.db2.gz WBSYZTWNFIGSSA-ZOQXVFJJSA-N 0 0 457.640 4.015 50 0 JIAARN COc1ccc(Br)cc1CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000019889715 555529164 /nfs/dbraw/zinc/52/91/64/555529164.db2.gz SIRKLVUCHHCBFD-UHFFFAOYSA-N 0 0 475.408 4.117 50 0 JIAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1C ZINC000019889993 555529199 /nfs/dbraw/zinc/52/91/99/555529199.db2.gz XCLGAVOSADWKAG-BWAHOGKJSA-N 0 0 459.615 4.480 50 0 JIAARN COc1ccc(Cn2c(SCC(=O)Nc3ccc(C)cc3C)nc3ncccc3c2=O)cc1 ZINC000009830362 555529708 /nfs/dbraw/zinc/52/97/08/555529708.db2.gz PSGDIPRYPAMZOH-UHFFFAOYSA-N 0 0 460.559 4.196 50 0 JIAARN CCc1ccc(NC(=O)[C@H](CC)Sc2nc3ncccc3c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000009830430 555529943 /nfs/dbraw/zinc/52/99/43/555529943.db2.gz XYKBOBLVWFNDQA-ICSRJNTNSA-N 0 0 452.580 4.042 50 0 JIAARN CCOc1ccc(-n2c(=O)c3cccnc3nc2SCC(=O)Nc2ccccc2F)cc1 ZINC000009830415 555529964 /nfs/dbraw/zinc/52/99/64/555529964.db2.gz WYRFNKNJSYOMKD-UHFFFAOYSA-N 0 0 450.495 4.049 50 0 JIAARN Cc1ccc(NC(=O)C(=O)NCCCC[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1 ZINC000013602236 555530369 /nfs/dbraw/zinc/53/03/69/555530369.db2.gz ZPEZGROPHYLNTE-LJQANCHMSA-N 0 0 455.986 4.426 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C ZINC000019892124 555530833 /nfs/dbraw/zinc/53/08/33/555530833.db2.gz RCODOHJXYRWRMC-OIBXWCBGSA-N 0 0 454.567 4.212 50 0 JIAARN COc1ccc(C(=O)N/C(=C/c2cccnc2)C(=O)Nc2cccc(Br)c2)cc1OC ZINC000013615762 555536312 /nfs/dbraw/zinc/53/63/12/555536312.db2.gz PVTXACVGENEILQ-YBFXNURJSA-N 0 0 482.334 4.271 50 0 JIAARN CCCCCOc1ccc(/C=c2/sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)cc1OCC ZINC000013618352 555537237 /nfs/dbraw/zinc/53/72/37/555537237.db2.gz SPEBLRWNWQIYHE-WWOVWOHCSA-N 0 0 493.585 4.179 50 0 JIAARN CCNc1nc(NCC)nc(SCc2nnc(SCC(=O)c3ccc(Cl)cc3)o2)n1 ZINC000019912095 555538298 /nfs/dbraw/zinc/53/82/98/555538298.db2.gz VUYUSWIOZYTVGV-UHFFFAOYSA-N 0 0 465.992 4.039 50 0 JIAARN COc1ccc(NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c2ccc(C)cc2)cc1 ZINC000009834689 555539030 /nfs/dbraw/zinc/53/90/30/555539030.db2.gz YCXFDVTYFHSWSK-FCHUYYIVSA-N 0 0 467.566 4.199 50 0 JIAARN COc1ccc([C@@H]2CC(=O)c3c(C)nc(N4CCN(Cc5ccccc5)CC4)nc3C2)cc1OC ZINC000019913680 555539420 /nfs/dbraw/zinc/53/94/20/555539420.db2.gz UARHQZKJXRGULB-QFIPXVFZSA-N 0 0 472.589 4.037 50 0 JIAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCN1CCOCC1)occ3-c1ccc(F)cc1 ZINC000013629354 555540869 /nfs/dbraw/zinc/54/08/69/555540869.db2.gz NQSVXTDXEKIKAA-UHFFFAOYSA-N 0 0 478.520 4.035 50 0 JIAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCC[C@H](C)C3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009841631 555544348 /nfs/dbraw/zinc/54/43/48/555544348.db2.gz QBVISONSOALNPD-QCIUDXLNSA-N 0 0 496.604 4.464 50 0 JIAARN O=C(CNc1ccccc1C(=O)NC[C@H]1CCCO1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000009847305 555548304 /nfs/dbraw/zinc/54/83/04/555548304.db2.gz HLSPDPCXPFTYHR-BWKNWUBXSA-N 0 0 471.557 4.174 50 0 JIAARN COc1ccc(C(=O)c2cnc3cc4c(cc3c2S(=O)(=O)c2ccc(F)cc2)OCO4)cc1 ZINC000009847482 555548760 /nfs/dbraw/zinc/54/87/60/555548760.db2.gz FRHIAIRGILWCRR-UHFFFAOYSA-N 0 0 465.458 4.175 50 0 JIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000009850965 555553763 /nfs/dbraw/zinc/55/37/63/555553763.db2.gz WDKDZNXDRKFHPL-DEOSSOPVSA-N 0 0 473.529 4.378 50 0 JIAARN O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1cc(C(F)(F)F)ccc1Cl ZINC000009852938 555554988 /nfs/dbraw/zinc/55/49/88/555554988.db2.gz VVDOQDWAEAAURK-UHFFFAOYSA-N 0 0 475.851 4.312 50 0 JIAARN CCc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1cc(OC)ccc1OC ZINC000009855854 555556057 /nfs/dbraw/zinc/55/60/57/555556057.db2.gz MQEHQPKYZBCAOU-UHFFFAOYSA-N 0 0 470.525 4.451 50 0 JIAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(OC)cc1 ZINC000009855968 555556345 /nfs/dbraw/zinc/55/63/45/555556345.db2.gz ZORSFUAPPVVBPK-UHFFFAOYSA-N 0 0 474.488 4.418 50 0 JIAARN COc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(Cl)ccc32)c1 ZINC000009857132 555558121 /nfs/dbraw/zinc/55/81/21/555558121.db2.gz VPAKZQNBBUZGIS-UHFFFAOYSA-N 0 0 496.972 4.443 50 0 JIAARN COc1cc2c(cc1OC)n(Cc1ccccc1F)cc(S(=O)(=O)c1ccc(C)cc1)c2=O ZINC000009858979 555560583 /nfs/dbraw/zinc/56/05/83/555560583.db2.gz ISWZNZHYOPJEAI-UHFFFAOYSA-N 0 0 467.518 4.347 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 ZINC000009963997 555566119 /nfs/dbraw/zinc/56/61/19/555566119.db2.gz GNDLBFWBPZHCTE-UHFFFAOYSA-N 0 0 451.548 4.419 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCc4ccccc4C3)c(C)c2)cc1 ZINC000009972049 555571052 /nfs/dbraw/zinc/57/10/52/555571052.db2.gz RSYIAXNUEPDWRU-UHFFFAOYSA-N 0 0 450.560 4.068 50 0 JIAARN Cc1c2c(cc(=O)n1C[C@@H]1CCCO1)n(Cc1ccccc1)n(-c1nc3ccccc3s1)c2=O ZINC000009972282 555571755 /nfs/dbraw/zinc/57/17/55/555571755.db2.gz XYRKERQLRYSNDV-IBGZPJMESA-N 0 0 472.570 4.099 50 0 JIAARN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c2cc(Br)ccc2n1 ZINC000013689407 555582947 /nfs/dbraw/zinc/58/29/47/555582947.db2.gz XUMROOMFQYDKBO-UHFFFAOYSA-N 0 0 474.380 4.343 50 0 JIAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)cs1 ZINC000009985078 555584205 /nfs/dbraw/zinc/58/42/05/555584205.db2.gz YJPCJGWGWUHZTQ-XMMPIXPASA-N 0 0 479.602 4.439 50 0 JIAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 ZINC000009985988 555584739 /nfs/dbraw/zinc/58/47/39/555584739.db2.gz MBPKPEHJGCZSQS-UHFFFAOYSA-N 0 0 479.624 4.200 50 0 JIAARN COc1cccc(N2CCn3c(nc4cc(NC(=O)c5ccc(OC)c(OC)c5)ccc43)C2)c1 ZINC000013691092 555585140 /nfs/dbraw/zinc/58/51/40/555585140.db2.gz RMLGDNGZMSBWDA-UHFFFAOYSA-N 0 0 458.518 4.335 50 0 JIAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCCC(c1ccccc1)c1ccccc1 ZINC000013691611 555585800 /nfs/dbraw/zinc/58/58/00/555585800.db2.gz MVIDRFOYRUKLRJ-UHFFFAOYSA-N 0 0 453.542 4.060 50 0 JIAARN COC(=O)c1ccc(Oc2c(C)oc3c(ccc4c3CN(C[C@@H]3CCCO3)CO4)c2=O)cc1 ZINC000013691966 555586539 /nfs/dbraw/zinc/58/65/39/555586539.db2.gz YVYNIGCCBDYCJC-SFHVURJKSA-N 0 0 451.475 4.011 50 0 biogenic JIAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000009995866 555589064 /nfs/dbraw/zinc/58/90/64/555589064.db2.gz GEDRIOZUPTXGRT-UHFFFAOYSA-N 0 0 461.547 4.126 50 0 JIAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1cccc(N2CCCC2=O)c1 ZINC000009996194 555589620 /nfs/dbraw/zinc/58/96/20/555589620.db2.gz SNVUMNCBWNGBJO-OAQYLSRUSA-N 0 0 495.580 4.121 50 0 JIAARN Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)sc2ncnc(N3CCCC[C@H]3C)c12 ZINC000010013276 555594296 /nfs/dbraw/zinc/59/42/96/555594296.db2.gz WZCOTAKLDLQOJN-MRXNPFEDSA-N 0 0 453.587 4.480 50 0 JIAARN CCc1ccc(NC(=O)c2sc3ncn(CC(=O)N4C[C@H](C)C[C@@H](C)C4)c(=O)c3c2C)cc1 ZINC000010013330 555594442 /nfs/dbraw/zinc/59/44/42/555594442.db2.gz IRQGJACGWHJIDY-HZPDHXFCSA-N 0 0 466.607 4.086 50 0 JIAARN CC(C)CCC[C@H](C)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O ZINC000013719189 555595437 /nfs/dbraw/zinc/59/54/37/555595437.db2.gz TUDRWKWNHNCFQK-KKSFZXQISA-N 0 0 461.006 4.395 50 0 JIAARN CCOc1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)cc1OCC ZINC000010025532 555599365 /nfs/dbraw/zinc/59/93/65/555599365.db2.gz DMMOSAKSOACIKU-UHFFFAOYSA-N 0 0 483.634 4.301 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nnc(C)n1C1CC1)CC2 ZINC000010028458 555600171 /nfs/dbraw/zinc/60/01/71/555600171.db2.gz UJRRPNSYRDIIDU-DEOSSOPVSA-N 0 0 464.591 4.205 50 0 JIAARN O=C(Cn1c(CN2CCCCC2)nc2scc(-c3cccs3)c2c1=O)NCc1ccco1 ZINC000010028420 555600179 /nfs/dbraw/zinc/60/01/79/555600179.db2.gz AJYNNSWTFLVXDM-UHFFFAOYSA-N 0 0 468.604 4.082 50 0 JIAARN COC(=O)CN1[C@@H](c2ccccc2)c2cc(Br)ccc2N[C@@]1(O)c1ccccc1 ZINC000013739109 555606430 /nfs/dbraw/zinc/60/64/30/555606430.db2.gz HXSJLWRKXXNZLF-GOTSBHOMSA-N 0 0 453.336 4.242 50 0 JIAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(O)c3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000013749359 555608440 /nfs/dbraw/zinc/60/84/40/555608440.db2.gz QITWALHMIOPLRD-QHAWAJNXSA-N 0 0 465.303 4.206 50 0 JIAARN CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)s2)c2cc(Br)ccc21 ZINC000010059112 555609097 /nfs/dbraw/zinc/60/90/97/555609097.db2.gz GCYNINDEOFNGOP-QGZVFWFLSA-N 0 0 473.186 4.490 50 0 JIAARN O=C(C[C@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1cccc(Br)c1 ZINC000010059158 555609141 /nfs/dbraw/zinc/60/91/41/555609141.db2.gz GGXARRBJIZNVRI-XMMPIXPASA-N 0 0 480.314 4.185 50 0 JIAARN Cc1ccc(NC(=O)COc2ccccc2/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 ZINC000020036274 555610697 /nfs/dbraw/zinc/61/06/97/555610697.db2.gz CICMKNNDYJEHTR-HYARGMPZSA-N 0 0 459.477 4.245 50 0 JIAARN COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3nc(N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)nc3N2)cc1 ZINC000013758575 555611898 /nfs/dbraw/zinc/61/18/98/555611898.db2.gz PLTMZYFNWVYZGZ-LNRXMEIDSA-N 0 0 473.508 4.028 50 0 JIAARN CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000013769723 555613968 /nfs/dbraw/zinc/61/39/68/555613968.db2.gz ZXRTUPGKBICPEC-UHFFFAOYSA-N 0 0 491.661 4.389 50 0 JIAARN CCN(CC)c1ccc(-c2nnc(SCC(=O)N3CCO[C@H](C)C3)n2-c2ccccc2)cc1 ZINC000010073004 555614882 /nfs/dbraw/zinc/61/48/82/555614882.db2.gz KKLLUEADDFMDPX-LJQANCHMSA-N 0 0 465.623 4.120 50 0 JIAARN O=C(CSc1nc2ncccn2n1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000010073519 555614890 /nfs/dbraw/zinc/61/48/90/555614890.db2.gz NONAUOHNZNRNKB-UHFFFAOYSA-N 0 0 472.452 4.126 50 0 JIAARN COC(=O)CCCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1C)CCCC3 ZINC000010076331 555615239 /nfs/dbraw/zinc/61/52/39/555615239.db2.gz LJLNZWCWUBSBPV-UHFFFAOYSA-N 0 0 499.658 4.104 50 0 JIAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2-c2ccccc2)c1 ZINC000010076419 555615277 /nfs/dbraw/zinc/61/52/77/555615277.db2.gz UPDDYKFIFFJZRD-KNQAVFIVSA-N 0 0 477.634 4.293 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000010078128 555616157 /nfs/dbraw/zinc/61/61/57/555616157.db2.gz BKGBLWAHHRSDQG-UHFFFAOYSA-N 0 0 473.938 4.117 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(SC)c3)cc2)cc1 ZINC000010078089 555616168 /nfs/dbraw/zinc/61/61/68/555616168.db2.gz RFUOVKKEGXMJOE-UHFFFAOYSA-N 0 0 458.561 4.235 50 0 JIAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010109507 555619137 /nfs/dbraw/zinc/61/91/37/555619137.db2.gz KHOIYCWBHXRJRV-OAQYLSRUSA-N 0 0 497.960 4.078 50 0 JIAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000013786909 555619489 /nfs/dbraw/zinc/61/94/89/555619489.db2.gz VBXSEMJNBAXXOE-KGLIPLIRSA-N 0 0 480.677 4.130 50 0 JIAARN Cc1cc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c(C)s1 ZINC000020068022 555625630 /nfs/dbraw/zinc/62/56/30/555625630.db2.gz UPOUFMSBPLYFBH-UHFFFAOYSA-N 0 0 489.537 4.211 50 0 JIAARN CCCCN1C(=O)[C@@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(C(=O)OC)=C1C ZINC000013828389 555629938 /nfs/dbraw/zinc/62/99/38/555629938.db2.gz QBJHBVZYCVYFFK-JOCHJYFZSA-N 0 0 454.489 4.104 50 0 JIAARN Cc1ccc(-c2nn(CC(=O)Nc3cccc(Br)c3)c(=O)c3c2CCCC3)cc1 ZINC000020095784 555632320 /nfs/dbraw/zinc/63/23/20/555632320.db2.gz GMSKICPRECGIOU-UHFFFAOYSA-N 0 0 452.352 4.499 50 0 JIAARN COc1ccccc1OCCSc1nnc(CNC(=O)c2ccc(Cl)c(Cl)c2)n1C ZINC000013845062 555633386 /nfs/dbraw/zinc/63/33/86/555633386.db2.gz USVKMBVASUZWEL-UHFFFAOYSA-N 0 0 467.378 4.232 50 0 JIAARN O=C(c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CC(=O)Nc2ccccc21 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ZINC000015858929 556027610 /nfs/dbraw/zinc/02/76/10/556027610.db2.gz VEBQHTSMGSODQW-HHHXNRCGSA-N 0 0 495.535 4.199 50 0 JIAARN CCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000012550599 556031691 /nfs/dbraw/zinc/03/16/91/556031691.db2.gz NNFNJXHQDYITON-CQSZACIVSA-N 0 0 450.358 4.073 50 0 JIAARN C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)c1ccc(-n2ccnc2)cc1 ZINC000012551115 556032671 /nfs/dbraw/zinc/03/26/71/556032671.db2.gz UIYAVHVBOVDQSW-GFCCVEGCSA-N 0 0 485.201 4.437 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000023248598 556034501 /nfs/dbraw/zinc/03/45/01/556034501.db2.gz IUTAQJWFVPYFBF-DEOSSOPVSA-N 0 0 484.644 4.154 50 0 JIAARN COc1ccc(-c2nc(CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)cs2)cc1 ZINC000023249023 556034712 /nfs/dbraw/zinc/03/47/12/556034712.db2.gz MQVVGYLLOFLYBS-UHFFFAOYSA-N 0 0 450.608 4.192 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(OC)cc2)C(=O)COc2ccccc2)c1C ZINC000015862526 556035490 /nfs/dbraw/zinc/03/54/90/556035490.db2.gz LNTIUHKKOATZSD-UHFFFAOYSA-N 0 0 450.535 4.425 50 0 JIAARN CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012552797 556036285 /nfs/dbraw/zinc/03/62/85/556036285.db2.gz BGRMLHXYBAQBIW-HSZRJFAPSA-N 0 0 469.651 4.311 50 0 JIAARN Cc1ccc2nc(CSc3nnc(N4CCCC4)n3-c3ccccc3Cl)cc(=O)n2c1 ZINC000012554404 556038839 /nfs/dbraw/zinc/03/88/39/556038839.db2.gz SOPBGIKYVGNPHY-UHFFFAOYSA-N 0 0 452.971 4.130 50 0 JIAARN COc1ccc(CN2CCN(Cc3nc(=O)c4c(-c5ccc(F)cc5)csc4[nH]3)CC2)cc1 ZINC000023303805 556039395 /nfs/dbraw/zinc/03/93/95/556039395.db2.gz KCRXCRAGMNMRFU-UHFFFAOYSA-N 0 0 464.566 4.117 50 0 JIAARN O=C(Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1)c1cccc(Br)c1 ZINC000015865398 556041633 /nfs/dbraw/zinc/04/16/33/556041633.db2.gz CKFSRZBCYBWMKZ-UHFFFAOYSA-N 0 0 450.292 4.288 50 0 JIAARN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)c(Br)c1 ZINC000015865787 556042248 /nfs/dbraw/zinc/04/22/48/556042248.db2.gz ZXAUXOQJKUOMTP-SFHVURJKSA-N 0 0 479.421 4.347 50 0 JIAARN O=C(Nc1ccccc1N1CCCCCC1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000012556416 556042518 /nfs/dbraw/zinc/04/25/18/556042518.db2.gz APXUVRXJQKIEGU-UHFFFAOYSA-N 0 0 487.530 4.379 50 0 JIAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)nc1)c1ccccc1F ZINC000023333997 556043716 /nfs/dbraw/zinc/04/37/16/556043716.db2.gz BBHVQCFQCBACTD-UHFFFAOYSA-N 0 0 456.880 4.228 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1NC(C)=O ZINC000012557149 556044711 /nfs/dbraw/zinc/04/47/11/556044711.db2.gz WOWAPDXDIAMKNB-UHFFFAOYSA-N 0 0 467.263 4.236 50 0 JIAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000015880254 556052290 /nfs/dbraw/zinc/05/22/90/556052290.db2.gz CYOYWSDCOPFJQV-UHFFFAOYSA-N 0 0 455.605 4.136 50 0 JIAARN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)C1 ZINC000023423572 556052510 /nfs/dbraw/zinc/05/25/10/556052510.db2.gz AQPIJPFYJZTLDK-NRFANRHFSA-N 0 0 454.530 4.404 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Cl)cc3s2)cc1 ZINC000015881790 556054072 /nfs/dbraw/zinc/05/40/72/556054072.db2.gz LNBBISJSZFZNQL-UHFFFAOYSA-N 0 0 487.006 4.442 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(F)ccc2Br)cc1 ZINC000023427484 556054281 /nfs/dbraw/zinc/05/42/81/556054281.db2.gz BDMMEJJGDJEJHQ-CYBMUJFWSA-N 0 0 457.365 4.110 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(C(=O)c3ccc(Cl)nc3)CC2)n1 ZINC000023427947 556054674 /nfs/dbraw/zinc/05/46/74/556054674.db2.gz COOBHEZCDWVEEN-UHFFFAOYSA-N 0 0 456.905 4.392 50 0 JIAARN COc1ccc(CNC(=O)c2cccnc2N2CCN(C(=O)Nc3ccccc3C(C)C)CC2)cc1 ZINC000023430159 556055389 /nfs/dbraw/zinc/05/53/89/556055389.db2.gz VQMPNGAPPGSCND-UHFFFAOYSA-N 0 0 487.604 4.498 50 0 JIAARN COc1ccc2nc(N3CCN(C(=O)c4ccc(C(=O)c5ccccc5)cc4)CC3)sc2c1 ZINC000015882384 556056243 /nfs/dbraw/zinc/05/62/43/556056243.db2.gz VVJUCSWMTVFORE-UHFFFAOYSA-N 0 0 457.555 4.498 50 0 JIAARN CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012563014 556057659 /nfs/dbraw/zinc/05/76/59/556057659.db2.gz GJVHKBNCIUKXGX-UHFFFAOYSA-N 0 0 493.629 4.281 50 0 JIAARN CCCOCCCNC(=O)c1cc(N2CCc3cc(OC)c(OC)cc3C2)nc2ccccc21 ZINC000023437015 556058612 /nfs/dbraw/zinc/05/86/12/556058612.db2.gz HHQZLBVDNBXRIM-UHFFFAOYSA-N 0 0 463.578 4.361 50 0 JIAARN Cc1ccc(-n2c(-c3ccccc3)nn(CN(CC(C)C)[C@@H]3CCS(=O)(=O)C3)c2=S)cc1 ZINC000012564568 556060612 /nfs/dbraw/zinc/06/06/12/556060612.db2.gz HXNQDYCWDWEBRZ-JOCHJYFZSA-N 0 0 470.664 4.481 50 0 JIAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3cccc(Br)c3)cs2)n1 ZINC000015910876 556064487 /nfs/dbraw/zinc/06/44/87/556064487.db2.gz UEDLCNOVELKCBR-UHFFFAOYSA-N 0 0 465.398 4.339 50 0 JIAARN COc1ccc(CN(C(=O)c2oc3cc(C)c(C)cc3c2C)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000015919334 556066989 /nfs/dbraw/zinc/06/69/89/556066989.db2.gz YZNSFQNELXFWNN-IBGZPJMESA-N 0 0 471.575 4.205 50 0 JIAARN CCOc1ccc(N(CC(=O)NCCSCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000015919433 556067258 /nfs/dbraw/zinc/06/72/58/556067258.db2.gz PDEBBCBHTVOYJE-UHFFFAOYSA-N 0 0 484.643 4.330 50 0 JIAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2NC1=O ZINC000015936384 556074112 /nfs/dbraw/zinc/07/41/12/556074112.db2.gz OZOSDIFPZAXAHM-MRXNPFEDSA-N 0 0 488.509 4.211 50 0 JIAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2NC1=O ZINC000015936383 556074183 /nfs/dbraw/zinc/07/41/83/556074183.db2.gz OZOSDIFPZAXAHM-INIZCTEOSA-N 0 0 488.509 4.211 50 0 JIAARN C[C@@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1ccc(S(C)(=O)=O)cc1 ZINC000012576916 556075887 /nfs/dbraw/zinc/07/58/87/556075887.db2.gz LBYLSBLDOCBEEP-CQSZACIVSA-N 0 0 457.552 4.025 50 0 JIAARN COc1ccc([C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)N2CCOCC2)cc1 ZINC000023555134 556078198 /nfs/dbraw/zinc/07/81/98/556078198.db2.gz MEZGKZVJQDSJRV-MHZLTWQESA-N 0 0 482.584 4.351 50 0 JIAARN Cc1ccc(CNC(=O)C2CCN(c3nnc(C)c4c(C)n(-c5ccc(C)cc5)nc43)CC2)o1 ZINC000015942914 556078340 /nfs/dbraw/zinc/07/83/40/556078340.db2.gz NDJRMDDETOEWCH-UHFFFAOYSA-N 0 0 458.566 4.175 50 0 JIAARN O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023559638 556078453 /nfs/dbraw/zinc/07/84/53/556078453.db2.gz RGLMVTZNBUHHIJ-UHFFFAOYSA-N 0 0 451.452 4.402 50 0 JIAARN CCOc1ccc(CCNC(=O)C[S@@](=O)Cc2nc(-c3ccccc3C)oc2C)cc1OCC ZINC000015944412 556080946 /nfs/dbraw/zinc/08/09/46/556080946.db2.gz WISQQGOTGHOFGS-UUWRZZSWSA-N 0 0 484.618 4.363 50 0 JIAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCOCC3)c2C(=O)Nc2ccccc2)C1 ZINC000015946056 556082187 /nfs/dbraw/zinc/08/21/87/556082187.db2.gz TXTFDFNHNAHGBZ-KRWDZBQOSA-N 0 0 455.624 4.422 50 0 JIAARN O=C(c1ccccc1OC[C@@H]1CCCO1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000023671305 556082738 /nfs/dbraw/zinc/08/27/38/556082738.db2.gz XRCDVVXZUQGMLA-QFIPXVFZSA-N 0 0 463.603 4.326 50 0 JIAARN CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(C)C ZINC000012586247 556083484 /nfs/dbraw/zinc/08/34/84/556083484.db2.gz SKYKDMQQZHFURG-QFIPXVFZSA-N 0 0 493.526 4.334 50 0 JIAARN C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000012590294 556086244 /nfs/dbraw/zinc/08/62/44/556086244.db2.gz LGMZYQFVYJWXRR-GSQWSPMESA-N 0 0 486.037 4.023 50 0 JIAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2nnc(CC(C)C)s2)ccc1OC ZINC000012593546 556088901 /nfs/dbraw/zinc/08/89/01/556088901.db2.gz CHRZUUQYKCSSLG-UHFFFAOYSA-N 0 0 488.635 4.208 50 0 JIAARN COc1ccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1S(=O)(=O)NC1CCCC1 ZINC000012594129 556089232 /nfs/dbraw/zinc/08/92/32/556089232.db2.gz WSYURKFDMHGCRN-OAHLLOKOSA-N 0 0 473.620 4.359 50 0 JIAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1csc(Nc3ccccc3)n1)C2=O ZINC000023845345 556091402 /nfs/dbraw/zinc/09/14/02/556091402.db2.gz MXCPYUWKXWQQKM-WNSKOXEYSA-N 0 0 456.568 4.067 50 0 JIAARN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012655961 556099082 /nfs/dbraw/zinc/09/90/82/556099082.db2.gz RHVLWSXKCVDNIJ-DXSPHOGNSA-N 0 0 474.594 4.315 50 0 biogenic JIAARN COCCNC(=O)C1CCN(C(=O)c2cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3s2)CC1 ZINC000023888987 556099345 /nfs/dbraw/zinc/09/93/45/556099345.db2.gz WRVSBSGVLVZIPY-UHFFFAOYSA-N 0 0 494.539 4.029 50 0 JIAARN CCN(CC)C(=S)SCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C ZINC000012657171 556099366 /nfs/dbraw/zinc/09/93/66/556099366.db2.gz WEZGTTICSWUZNC-UYILMLCMSA-N 0 0 493.735 4.149 50 0 biogenic JIAARN C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000015980671 556099530 /nfs/dbraw/zinc/09/95/30/556099530.db2.gz GVUINHCMGGGEIE-OWCLPIDISA-N 0 0 480.533 4.100 50 0 JIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc5c(c4)OCO5)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000015998892 556103825 /nfs/dbraw/zinc/10/38/25/556103825.db2.gz OMCDFHKEKMZSKE-QUMGSSFMSA-N 0 0 478.504 4.122 50 0 JIAARN Cc1cc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)c2cnn(Cc3cccs3)c2n1 ZINC000012738065 556106570 /nfs/dbraw/zinc/10/65/70/556106570.db2.gz DVHOIEKGXFSZBU-UHFFFAOYSA-N 0 0 463.544 4.483 50 0 JIAARN CN1CCN(C(=O)c2ccccc2NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)CC1 ZINC000012739098 556107476 /nfs/dbraw/zinc/10/74/76/556107476.db2.gz OKIDKASUBHUBTK-UHFFFAOYSA-N 0 0 471.586 4.241 50 0 JIAARN COc1cccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000016007023 556107458 /nfs/dbraw/zinc/10/74/58/556107458.db2.gz NTSGWDVOSCHMQR-KPARNRDPSA-N 0 0 482.511 4.397 50 0 JIAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1 ZINC000016007493 556107909 /nfs/dbraw/zinc/10/79/09/556107909.db2.gz ONPKIWRDSXTIFM-XHDPSFHLSA-N 0 0 461.943 4.448 50 0 JIAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)N1CCN(Cc2cccs2)CC1 ZINC000023982960 556110652 /nfs/dbraw/zinc/11/06/52/556110652.db2.gz SIRLKGYTUIOBTR-UHFFFAOYSA-N 0 0 479.631 4.084 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(SCc1ccc(Cl)cc1Cl)n(C[C@H](C)O)c2=O ZINC000012773927 556110809 /nfs/dbraw/zinc/11/08/09/556110809.db2.gz JDQYEMYFEIYGMQ-NSHDSACASA-N 0 0 453.347 4.163 50 0 JIAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000023983425 556111462 /nfs/dbraw/zinc/11/14/62/556111462.db2.gz MTEHICHLPRSOJY-SANMLTNESA-N 0 0 456.521 4.239 50 0 JIAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016012731 556111720 /nfs/dbraw/zinc/11/17/20/556111720.db2.gz PABVDNFZBVUBAR-DDOIHHOZSA-N 0 0 490.774 4.386 50 0 JIAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016013265 556112447 /nfs/dbraw/zinc/11/24/47/556112447.db2.gz NTKJKHWYHWYGFP-JLFWUPFSSA-N 0 0 471.944 4.233 50 0 JIAARN COc1ccc([C@@H](CNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)N2CCOCC2)cc1 ZINC000023989302 556112519 /nfs/dbraw/zinc/11/25/19/556112519.db2.gz GJNYBLSAJVHUJA-HSZRJFAPSA-N 0 0 476.602 4.207 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NCc1ccccc1CN1CCOCC1 ZINC000023989312 556112530 /nfs/dbraw/zinc/11/25/30/556112530.db2.gz WATFEYMYBXAZOP-UHFFFAOYSA-N 0 0 499.640 4.175 50 0 JIAARN CCc1ccc(-c2noc(CSc3nnc(-c4ccc(F)cc4)n3CCN3CCOCC3)n2)cc1 ZINC000023989301 556112546 /nfs/dbraw/zinc/11/25/46/556112546.db2.gz UANLLVRSLIJTLJ-UHFFFAOYSA-N 0 0 494.596 4.321 50 0 JIAARN c1coc(CN2CCN(c3nc(CN4CCOCC4)nc4scc(-c5cccs5)c43)CC2)c1 ZINC000023989424 556113122 /nfs/dbraw/zinc/11/31/22/556113122.db2.gz ZDMTWRZGKRZQKS-UHFFFAOYSA-N 0 0 481.647 4.167 50 0 JIAARN Cc1ccccc1CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000024001816 556116049 /nfs/dbraw/zinc/11/60/49/556116049.db2.gz VNYHYTIFBNQDMH-UHFFFAOYSA-N 0 0 497.705 4.038 50 0 JIAARN CCCCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000016032405 556116697 /nfs/dbraw/zinc/11/66/97/556116697.db2.gz GGSSOHAHFTZPNA-PSUQPPDWSA-N 0 0 462.631 4.077 50 0 biogenic JIAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1C ZINC000024068165 556118343 /nfs/dbraw/zinc/11/83/43/556118343.db2.gz BYHVTRHSFHAUGJ-MRXNPFEDSA-N 0 0 487.553 4.431 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000016037799 556120340 /nfs/dbraw/zinc/12/03/40/556120340.db2.gz XZOQYBOBLJGTSZ-QUMGSSFMSA-N 0 0 464.521 4.402 50 0 JIAARN O=C(C1=C2C(O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000016038176 556120493 /nfs/dbraw/zinc/12/04/93/556120493.db2.gz KHONFLZAOMSTQJ-AFXVXQJMSA-N 0 0 489.453 4.467 50 0 JIAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000016044443 556124303 /nfs/dbraw/zinc/12/43/03/556124303.db2.gz PZLDUOGSLGVEDX-UHFFFAOYSA-N 0 0 482.587 4.112 50 0 JIAARN COc1ccc(CN2CCN(C(=O)/C=C/c3ccc(OCc4c(C)noc4C)c(OC)c3)CC2)cc1 ZINC000024308270 556128751 /nfs/dbraw/zinc/12/87/51/556128751.db2.gz VQXHJSMBKHKNTJ-XYOKQWHBSA-N 0 0 491.588 4.245 50 0 JIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024300389 556128773 /nfs/dbraw/zinc/12/87/73/556128773.db2.gz IEWWKBUISPMPHA-UHFFFAOYSA-N 0 0 455.917 4.335 50 0 JIAARN COCCN(CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)Cc1nnc(-c2cccs2)o1 ZINC000012910053 556128852 /nfs/dbraw/zinc/12/88/52/556128852.db2.gz AVLDQFATHYXZNB-KRWDZBQOSA-N 0 0 497.646 4.262 50 0 JIAARN O=C(Cc1sc(N2CCCCC2)nc1O)Nc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000012909837 556128915 /nfs/dbraw/zinc/12/89/15/556128915.db2.gz GNTFVWFVOLBEKO-QFIPXVFZSA-N 0 0 476.602 4.240 50 0 JIAARN O=C(Cc1sc(N2CCCCC2)nc1O)Nc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000012909844 556128965 /nfs/dbraw/zinc/12/89/65/556128965.db2.gz GNTFVWFVOLBEKO-JOCHJYFZSA-N 0 0 476.602 4.240 50 0 JIAARN O=C(NCCc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccc(I)cc1 ZINC000016212692 556129319 /nfs/dbraw/zinc/12/93/19/556129319.db2.gz LPSZLGUTFRSXFV-OQKWZONESA-N 0 0 496.348 4.421 50 0 JIAARN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000012911263 556130143 /nfs/dbraw/zinc/13/01/43/556130143.db2.gz QMXMKWXZZHTRBP-UHFFFAOYSA-N 0 0 455.603 4.251 50 0 JIAARN CN(CCOc1ccc(F)cc1)C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl ZINC000024386951 556130500 /nfs/dbraw/zinc/13/05/00/556130500.db2.gz GEZKFDAREZBSNN-UHFFFAOYSA-N 0 0 476.957 4.455 50 0 JIAARN CN1c2ccccc2C(=O)[C@H](C(c2cccc(Cl)c2)[C@H]2C(=O)c3ccccc3N(C)C2=O)C1=O ZINC000012911940 556131031 /nfs/dbraw/zinc/13/10/31/556131031.db2.gz MHDZPHVLUJLIQC-GOTSBHOMSA-N 0 0 472.928 4.375 50 0 JIAARN COCCn1c(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1 ZINC000024478398 556132026 /nfs/dbraw/zinc/13/20/26/556132026.db2.gz CPFPIUACSSBXIU-AWEZNQCLSA-N 0 0 461.385 4.473 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)N(C)Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000012916718 556135848 /nfs/dbraw/zinc/13/58/48/556135848.db2.gz LQIFHPRIYYOCRS-RTBURBONSA-N 0 0 489.041 4.038 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCCc2ccccc21 ZINC000012920341 556139031 /nfs/dbraw/zinc/13/90/31/556139031.db2.gz RRCUGKCTIOHKHD-UHFFFAOYSA-N 0 0 453.391 4.374 50 0 JIAARN Cc1ccc(Cl)c(OC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)c1 ZINC000012923106 556141624 /nfs/dbraw/zinc/14/16/24/556141624.db2.gz DYOIUSNKZHARFN-GFCCVEGCSA-N 0 0 464.790 4.231 50 0 JIAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000012923286 556141895 /nfs/dbraw/zinc/14/18/95/556141895.db2.gz APQRZZMDQHZBKY-UHFFFAOYSA-N 0 0 488.997 4.121 50 0 JIAARN O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000024625293 556142960 /nfs/dbraw/zinc/14/29/60/556142960.db2.gz HBRHGDDEXJWHMU-XMMPIXPASA-N 0 0 452.558 4.253 50 0 JIAARN CCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccc(C)cc2)C(=O)N(C(C)C)C1=O ZINC000016571072 556143753 /nfs/dbraw/zinc/14/37/53/556143753.db2.gz ISSRNRBPCPDZOC-UHFFFAOYSA-O 0 0 486.379 4.189 50 0 JIAARN CCCc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C1=C([n+]2cc(C)cc(C)c2)C(=O)N(CCC)C1=O ZINC000016571196 556143895 /nfs/dbraw/zinc/14/38/95/556143895.db2.gz GOVSIJCNAIQGPV-UHFFFAOYSA-O 0 0 479.988 4.235 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000012926155 556144275 /nfs/dbraw/zinc/14/42/75/556144275.db2.gz FISCOCJJGCUHLM-UHFFFAOYSA-N 0 0 499.892 4.447 50 0 JIAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000024714932 556146492 /nfs/dbraw/zinc/14/64/92/556146492.db2.gz ZBRIDKLQWLTJFU-UHFFFAOYSA-N 0 0 475.570 4.430 50 0 JIAARN O=C(CCS(=O)(=O)Nc1ccccc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000024745612 556147698 /nfs/dbraw/zinc/14/76/98/556147698.db2.gz UMTDQPRWYOCQER-UHFFFAOYSA-N 0 0 499.583 4.030 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000012931176 556147891 /nfs/dbraw/zinc/14/78/91/556147891.db2.gz BMXBNMVNDAOLSB-ZDUSSCGKSA-N 0 0 451.470 4.442 50 0 JIAARN C[C@H](C(=O)N(C)C1CCCCC1)N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000024746815 556147956 /nfs/dbraw/zinc/14/79/56/556147956.db2.gz GDDWIRAIZHUPED-MRXNPFEDSA-N 0 0 488.982 4.095 50 0 JIAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(-n4ccnc4)nc3)[C@H]2c2ccccc2OC)cc1 ZINC000024749884 556148610 /nfs/dbraw/zinc/14/86/10/556148610.db2.gz LGXXHVAHQPYIKO-YIXXDRMTSA-N 0 0 497.555 4.408 50 0 JIAARN Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)NCc3ccco3)c(Cl)cc2Cl)o1 ZINC000012932720 556148740 /nfs/dbraw/zinc/14/87/40/556148740.db2.gz KZAPFGDUUFBEGW-UHFFFAOYSA-N 0 0 457.335 4.239 50 0 JIAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(-n4ccnc4)nc3)[C@@H]2c2ccccc2OC)cc1 ZINC000024749878 556148745 /nfs/dbraw/zinc/14/87/45/556148745.db2.gz LGXXHVAHQPYIKO-KCWPFWIISA-N 0 0 497.555 4.408 50 0 JIAARN Cc1ccc(-c2nnc(CCC(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)o2)cc1 ZINC000024752672 556149671 /nfs/dbraw/zinc/14/96/71/556149671.db2.gz FRWGWAYXTUIAGH-UHFFFAOYSA-N 0 0 458.484 4.341 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ccccc2C(=O)NCC(=O)C(C)(C)C)cc1 ZINC000012934359 556150276 /nfs/dbraw/zinc/15/02/76/556150276.db2.gz DOSLWTHPJXOKKB-OAHLLOKOSA-N 0 0 455.580 4.109 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N(C)c2nc3ccccc3s2)c1 ZINC000024763579 556152424 /nfs/dbraw/zinc/15/24/24/556152424.db2.gz NMDNHYUEKLJJTM-UHFFFAOYSA-N 0 0 482.425 4.366 50 0 JIAARN Cc1cccc(-c2cc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)n(Cc3ccccc3)n2)c1 ZINC000024768049 556153116 /nfs/dbraw/zinc/15/31/16/556153116.db2.gz PAKIPAPYINVIEW-DHIUTWEWSA-N 0 0 470.573 4.411 50 0 JIAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000012943153 556155514 /nfs/dbraw/zinc/15/55/14/556155514.db2.gz WTEUDPVVCADALQ-AYHJJNSGSA-N 0 0 453.073 4.417 50 0 JIAARN COc1ccc(CCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1Br ZINC000024833180 556158400 /nfs/dbraw/zinc/15/84/00/556158400.db2.gz PACKAQRXUKAEOG-UHFFFAOYSA-N 0 0 469.382 4.042 50 0 JIAARN COc1ccc(-c2cc(CSCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)on2)cc1 ZINC000024843767 556160961 /nfs/dbraw/zinc/16/09/61/556160961.db2.gz ZLPXDNCOFFCUGE-UHFFFAOYSA-N 0 0 464.547 4.020 50 0 JIAARN C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)n2)C1 ZINC000024886977 556162494 /nfs/dbraw/zinc/16/24/94/556162494.db2.gz CIFAPARLKQFXKK-INIZCTEOSA-N 0 0 459.593 4.194 50 0 JIAARN O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N(CCc1ccccc1)Cc1ccccc1 ZINC000012971889 556163720 /nfs/dbraw/zinc/16/37/20/556163720.db2.gz ASKPOEJUVUPXNK-UHFFFAOYSA-N 0 0 499.032 4.246 50 0 JIAARN COc1cc(C)ccc1NC(=O)CSc1nnc2ccc(C(=O)Nc3ccc(C)cc3)cn21 ZINC000016843185 556165258 /nfs/dbraw/zinc/16/52/58/556165258.db2.gz ZQAFYSJTPYDVON-UHFFFAOYSA-N 0 0 461.547 4.338 50 0 JIAARN Cc1ccc([C@](O)(CCNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C(F)(F)F)o1 ZINC000012974899 556166901 /nfs/dbraw/zinc/16/69/01/556166901.db2.gz JRTXYDAHWLVINM-LJQANCHMSA-N 0 0 479.421 4.175 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCCc2ccccc21 ZINC000012974900 556166926 /nfs/dbraw/zinc/16/69/26/556166926.db2.gz HMQJRZAJGUEJNF-UHFFFAOYSA-N 0 0 452.498 4.086 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CNc2cccc(Cl)c2N2CCOCC2)cc1 ZINC000024977076 556167135 /nfs/dbraw/zinc/16/71/35/556167135.db2.gz WRNLUIJRDJFQTA-UHFFFAOYSA-N 0 0 494.979 4.488 50 0 JIAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(-c4ccccc4)cc3)n2CC(N)=O)c1 ZINC000012976694 556169678 /nfs/dbraw/zinc/16/96/78/556169678.db2.gz OTIDJZVBBKNIGT-UHFFFAOYSA-N 0 0 457.559 4.137 50 0 JIAARN COc1ccccc1Oc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000012977699 556170618 /nfs/dbraw/zinc/17/06/18/556170618.db2.gz JZBLHMZTLJDURK-OAHLLOKOSA-N 0 0 460.939 4.446 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1nc(CNC(=O)c3ccccc3)no1)CC2 ZINC000024992507 556171290 /nfs/dbraw/zinc/17/12/90/556171290.db2.gz AYTIKRUQKRIQOQ-VWLOTQADSA-N 0 0 490.585 4.226 50 0 JIAARN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1 ZINC000012979990 556173001 /nfs/dbraw/zinc/17/30/01/556173001.db2.gz UVOUMEPSPYDKOZ-UHFFFAOYSA-N 0 0 464.547 4.461 50 0 JIAARN CCOc1ccc([C@H](CNC(=O)Cc2ccc(-c3ccccc3)cc2)N2CCOCC2)cc1OC ZINC000025044086 556173640 /nfs/dbraw/zinc/17/36/40/556173640.db2.gz PTGXIFVPZNYZIP-SANMLTNESA-N 0 0 474.601 4.493 50 0 JIAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3C[C@@H](O)COc3ccc(C)cc3)CC2=O)c1 ZINC000016902740 556174089 /nfs/dbraw/zinc/17/40/89/556174089.db2.gz WLUJDPGWQIDWQX-RBBKRZOGSA-N 0 0 471.557 4.314 50 0 JIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000012981831 556175116 /nfs/dbraw/zinc/17/51/16/556175116.db2.gz MUTKZXINOJMIGQ-OAHLLOKOSA-N 0 0 498.432 4.267 50 0 JIAARN Cc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 ZINC000016903194 556175670 /nfs/dbraw/zinc/17/56/70/556175670.db2.gz DFUYMMRINFXVJU-KNQAVFIVSA-N 0 0 459.521 4.444 50 0 JIAARN Cc1ccccc1OC[C@@H](O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000016903303 556176028 /nfs/dbraw/zinc/17/60/28/556176028.db2.gz FZTTVTXIZBDWFQ-UGKGYDQZSA-N 0 0 459.521 4.444 50 0 JIAARN O=C(c1csc2c1CCCC2)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012984539 556178273 /nfs/dbraw/zinc/17/82/73/556178273.db2.gz DYPILDUVUUAMQZ-UHFFFAOYSA-N 0 0 459.420 4.080 50 0 JIAARN Cc1nnc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)n1-c1ccccc1C ZINC000025121909 556180136 /nfs/dbraw/zinc/18/01/36/556180136.db2.gz PUAYGDKATDTKHE-FQEVSTJZSA-N 0 0 450.564 4.111 50 0 JIAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000012989983 556183467 /nfs/dbraw/zinc/18/34/67/556183467.db2.gz DKBUBJBSEDOCHS-UHFFFAOYSA-N 0 0 455.580 4.172 50 0 JIAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)NCc4ccccc4)s3)[C@H](c3ccco3)C2)cc1 ZINC000012991939 556184550 /nfs/dbraw/zinc/18/45/50/556184550.db2.gz LRKMSGCMVKIIJD-JTHBVZDNSA-N 0 0 488.569 4.144 50 0 JIAARN CC(C)(C)c1ccc(-c2ccnc3nc(N4CCN(C(=O)c5cccnc5Cl)CC4)nn32)cc1 ZINC000025146628 556185032 /nfs/dbraw/zinc/18/50/32/556185032.db2.gz KZRWEFRCXNNWIL-UHFFFAOYSA-N 0 0 475.984 4.100 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)c4cccc(Cl)c4)ccc32)cc1 ZINC000016954495 556185611 /nfs/dbraw/zinc/18/56/11/556185611.db2.gz FSPHCYLPVWBPQQ-UHFFFAOYSA-N 0 0 493.006 4.291 50 0 JIAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)OCCO2 ZINC000012993504 556185850 /nfs/dbraw/zinc/18/58/50/556185850.db2.gz PJVLRIGTOGXEBD-AWEZNQCLSA-N 0 0 499.416 4.043 50 0 JIAARN Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000012994862 556187025 /nfs/dbraw/zinc/18/70/25/556187025.db2.gz PTYPOURDUGDXAM-UHFFFAOYSA-N 0 0 473.396 4.390 50 0 JIAARN CCN(CC)c1nc(O)c(CC(=O)Nc2cccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)s1 ZINC000012995102 556187449 /nfs/dbraw/zinc/18/74/49/556187449.db2.gz ZOVXNPVBZTZGEB-BSMLIHBTSA-N 0 0 482.650 4.054 50 0 JIAARN COC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2cccs2)c1 ZINC000016957245 556188264 /nfs/dbraw/zinc/18/82/64/556188264.db2.gz QSMKJXKNVDMNJB-OAQYLSRUSA-N 0 0 477.542 4.209 50 0 JIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)cc1OC ZINC000016959673 556189593 /nfs/dbraw/zinc/18/95/93/556189593.db2.gz PKNWSKXJJIIJDL-UHFFFAOYSA-N 0 0 458.561 4.159 50 0 JIAARN O=C(c1ccc(Cl)nc1)N1CCN(c2nc3nccc(-c4cc(Cl)ccc4Cl)n3n2)CC1 ZINC000025149637 556189718 /nfs/dbraw/zinc/18/97/18/556189718.db2.gz NSNPEOOWEXUMSX-UHFFFAOYSA-N 0 0 488.766 4.109 50 0 JIAARN COc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc5c(c4)CCCC5)C3)n2)cc1OC ZINC000016960088 556190440 /nfs/dbraw/zinc/19/04/40/556190440.db2.gz RVLAJIXBQVLBTP-FQEVSTJZSA-N 0 0 483.590 4.201 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1 ZINC000012998088 556190596 /nfs/dbraw/zinc/19/05/96/556190596.db2.gz WAKSSUBAZQPCKM-UHFFFAOYSA-N 0 0 484.475 4.313 50 0 JIAARN O=C(c1cccnc1Cl)N1CCN(c2nc3nccc(-c4cc(Cl)ccc4Cl)n3n2)CC1 ZINC000025150502 556191206 /nfs/dbraw/zinc/19/12/06/556191206.db2.gz HFDRLQUOTVPRBU-UHFFFAOYSA-N 0 0 488.766 4.109 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)c2)C[C@H](C)O1 ZINC000012999000 556191533 /nfs/dbraw/zinc/19/15/33/556191533.db2.gz LBKUTXPHIQJVLI-QEEYODRMSA-N 0 0 481.039 4.105 50 0 JIAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cnn(C)c3Cl)c2)n(-c2ccc(OC)cc2)n1 ZINC000025151036 556191758 /nfs/dbraw/zinc/19/17/58/556191758.db2.gz BPISURGECIRIOZ-UHFFFAOYSA-N 0 0 479.924 4.364 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)n(-c2ccccn2)n1 ZINC000025151256 556192122 /nfs/dbraw/zinc/19/21/22/556192122.db2.gz DBPKYMWHPLYLIH-UHFFFAOYSA-N 0 0 487.585 4.135 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCN(c3nc4ccccc4nc3-c3ccccc3)CC2)cc1 ZINC000025153724 556194630 /nfs/dbraw/zinc/19/46/30/556194630.db2.gz AELGHAIRJQBPEC-UHFFFAOYSA-N 0 0 474.586 4.206 50 0 JIAARN CCN(CC(=O)Nc1c(F)cccc1F)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000013003177 556195984 /nfs/dbraw/zinc/19/59/84/556195984.db2.gz BXSNEPKDIGBDGU-UHFFFAOYSA-N 0 0 451.517 4.473 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)Nc3nc4ccccc4s3)c12 ZINC000016993126 556197337 /nfs/dbraw/zinc/19/73/37/556197337.db2.gz JJNLDSSCBORCIS-CQSZACIVSA-N 0 0 493.570 4.221 50 0 JIAARN CC(C)[C@H](NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccc2c(c1)OCCCO2 ZINC000013007538 556199100 /nfs/dbraw/zinc/19/91/00/556199100.db2.gz KBDMUUSOWYQCOY-NRFANRHFSA-N 0 0 475.471 4.034 50 0 JIAARN Cc1cc(C)n(CC(=O)Nc2cc(F)ccc2F)c(=O)c1-c1nc(-c2ccc(F)cc2)no1 ZINC000017011463 556201064 /nfs/dbraw/zinc/20/10/64/556201064.db2.gz WKNNVAIQADXKIV-UHFFFAOYSA-N 0 0 454.408 4.238 50 0 JIAARN CC(C)Cn1c(CCC(N)=O)nnc1SCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000013009993 556201638 /nfs/dbraw/zinc/20/16/38/556201638.db2.gz RORPSKAVMIYIIT-QHCPKHFHSA-N 0 0 470.570 4.391 50 0 JIAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3)nn2)n1 ZINC000013010171 556202336 /nfs/dbraw/zinc/20/23/36/556202336.db2.gz NGAOIPFKLNYZTO-UHFFFAOYSA-N 0 0 454.943 4.477 50 0 JIAARN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CCN(c3ncccn3)C[C@@H]12 ZINC000025184806 556204043 /nfs/dbraw/zinc/20/40/43/556204043.db2.gz VSTDPMJSUXRNFT-RCZVLFRGSA-N 0 0 493.398 4.444 50 0 JIAARN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccccc1N1CCN(c3ccccn3)C[C@@H]12 ZINC000025184738 556204092 /nfs/dbraw/zinc/20/40/92/556204092.db2.gz LWWHUNKVRHOMNR-BVAGGSTKSA-N 0 0 457.965 4.395 50 0 JIAARN C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccccc1Cl ZINC000013013803 556204896 /nfs/dbraw/zinc/20/48/96/556204896.db2.gz CIVORSBPSGIXRP-FZKQIMNGSA-N 0 0 471.804 4.133 50 0 JIAARN C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccccc1Cl ZINC000013013801 556204949 /nfs/dbraw/zinc/20/49/49/556204949.db2.gz CIVORSBPSGIXRP-UGSOOPFHSA-N 0 0 471.804 4.133 50 0 JIAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000013013956 556204975 /nfs/dbraw/zinc/20/49/75/556204975.db2.gz URJYYUKDFLNRPX-UHFFFAOYSA-N 0 0 464.875 4.323 50 0 JIAARN COc1ccc(C)cc1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000017026413 556206002 /nfs/dbraw/zinc/20/60/02/556206002.db2.gz NZNDTVRPPIGTSD-LJQANCHMSA-N 0 0 490.585 4.336 50 0 JIAARN Cc1ccc(C)c(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc5c(c4)OCO5)no3)c2=O)c1 ZINC000017026368 556206138 /nfs/dbraw/zinc/20/61/38/556206138.db2.gz NQNZOHUPXGJWED-UHFFFAOYSA-N 0 0 472.501 4.166 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)c3ccc4c(c3)OCCO4)cc2)cc1C ZINC000013015221 556206428 /nfs/dbraw/zinc/20/64/28/556206428.db2.gz APNGIAZHSDQWBB-UHFFFAOYSA-N 0 0 467.543 4.161 50 0 JIAARN CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4OC)=NN3S(C)(=O)=O)cc2c1 ZINC000013016299 556208077 /nfs/dbraw/zinc/20/80/77/556208077.db2.gz VCOFWXXVEXHMJC-FQEVSTJZSA-N 0 0 459.955 4.406 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(C)cc3)cc(C(=O)NCc3ccc(C)cc3)c12 ZINC000017041600 556208368 /nfs/dbraw/zinc/20/83/68/556208368.db2.gz PCVNDLIHXKQCLV-JOCHJYFZSA-N 0 0 488.613 4.313 50 0 JIAARN Cc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)n2)cc1 ZINC000017042726 556209521 /nfs/dbraw/zinc/20/95/21/556209521.db2.gz YSJUQFIZYHMNOS-UHFFFAOYSA-N 0 0 457.987 4.001 50 0 JIAARN CCOc1ccc([C@H](CNC(=O)c2cccc3c4c([nH]c32)CCCC4)N2CCOCC2)cc1OC ZINC000013020216 556211183 /nfs/dbraw/zinc/21/11/83/556211183.db2.gz CYAQXIJLYZMIFX-DEOSSOPVSA-N 0 0 477.605 4.257 50 0 JIAARN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)n2)n1 ZINC000025389205 556211586 /nfs/dbraw/zinc/21/15/86/556211586.db2.gz SGHYIAKVUXMSBS-ASXFNGKXSA-N 0 0 471.001 4.415 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)c4cccc(F)c4)ccc32)cc1 ZINC000017050773 556211712 /nfs/dbraw/zinc/21/17/12/556211712.db2.gz VVKOYXWCCJOZHL-UHFFFAOYSA-N 0 0 460.552 4.076 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccccc4)cc2)CC3)cc1 ZINC000017050865 556212014 /nfs/dbraw/zinc/21/20/14/556212014.db2.gz HXEBREDNNRLBLM-UHFFFAOYSA-N 0 0 476.598 4.315 50 0 JIAARN Cc1ccc(S(=O)(=O)c2ccc(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)nn2)cc1 ZINC000017051158 556212384 /nfs/dbraw/zinc/21/23/84/556212384.db2.gz UBSPMENTHLURPT-UHFFFAOYSA-N 0 0 470.982 4.126 50 0 JIAARN Cc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)nn2)cc1 ZINC000017051737 556212974 /nfs/dbraw/zinc/21/29/74/556212974.db2.gz BCBRVHYPJOADEN-UHFFFAOYSA-N 0 0 471.888 4.482 50 0 JIAARN CCCCN1C(=O)CC[C@@H](C(=O)NCCCn2cnc3ccccc32)[C@H]1c1ccccc1OC ZINC000025400336 556213524 /nfs/dbraw/zinc/21/35/24/556213524.db2.gz UVUSTZWESLAJLS-QFQXNSOFSA-N 0 0 462.594 4.331 50 0 JIAARN O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)N1c2ccccc2CCc2ccccc21 ZINC000025576370 556222861 /nfs/dbraw/zinc/22/28/61/556222861.db2.gz AIHKSENEBGWJSS-UHFFFAOYSA-N 0 0 456.571 4.370 50 0 JIAARN COc1ccc(CC(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2cccc(C)c2C)cc1OC ZINC000017135743 556222950 /nfs/dbraw/zinc/22/29/50/556222950.db2.gz XNWTUXJSKNPUGZ-UHFFFAOYSA-N 0 0 497.559 4.125 50 0 JIAARN O=C(COC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1)Nc1cccc(F)c1 ZINC000013031699 556228939 /nfs/dbraw/zinc/22/89/39/556228939.db2.gz SGDMBUSIRKHLCE-UHFFFAOYSA-N 0 0 456.470 4.491 50 0 JIAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1 ZINC000017156120 556228964 /nfs/dbraw/zinc/22/89/64/556228964.db2.gz IIMNSZYWGVNLBN-HSZRJFAPSA-N 0 0 453.558 4.114 50 0 JIAARN O=C(N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 ZINC000017156047 556229021 /nfs/dbraw/zinc/22/90/21/556229021.db2.gz FHOTYWUUIKIDAI-KXDMBUCYSA-N 0 0 450.398 4.309 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000013037729 556232745 /nfs/dbraw/zinc/23/27/45/556232745.db2.gz JKXXCUQZDVJWCJ-SFHVURJKSA-N 0 0 486.663 4.145 50 0 JIAARN CC1=C2C(=NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)N(c2ccc(C)cc2)N1 ZINC000013038481 556236751 /nfs/dbraw/zinc/23/67/51/556236751.db2.gz MXTXZPQYXDEABC-RPWUZVMVSA-N 0 0 454.505 4.254 50 0 JIAARN CC1=C2C(=NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2cccc(C)c2)N(c2ccc(C)cc2)N1 ZINC000013038494 556236768 /nfs/dbraw/zinc/23/67/68/556236768.db2.gz NOXPTFDQPJMQLD-JWQCQUIFSA-N 0 0 450.542 4.423 50 0 JIAARN CC1=C2C(=NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)N(c2ccc(C)cc2)N1 ZINC000013038482 556236807 /nfs/dbraw/zinc/23/68/07/556236807.db2.gz MXTXZPQYXDEABC-ZEQRLZLVSA-N 0 0 454.505 4.254 50 0 JIAARN O=S(=O)(NCCc1csc2nc(-c3ccccc3)nn12)c1cc(Cl)ccc1Cl ZINC000017192308 556237297 /nfs/dbraw/zinc/23/72/97/556237297.db2.gz XGEOPJHZVBFILU-UHFFFAOYSA-N 0 0 453.376 4.286 50 0 JIAARN Cc1ccc(Nc2nc(CN3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)cs2)cc1 ZINC000013038781 556237781 /nfs/dbraw/zinc/23/77/81/556237781.db2.gz SPWLGQYBDKWPTI-UHFFFAOYSA-N 0 0 456.637 4.318 50 0 JIAARN CCOc1c(Br)cc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000025918508 556238780 /nfs/dbraw/zinc/23/87/80/556238780.db2.gz AVRTXJJZERZONF-AWEZNQCLSA-N 0 0 459.344 4.270 50 0 JIAARN CCOc1c(Br)cc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000025918514 556238786 /nfs/dbraw/zinc/23/87/86/556238786.db2.gz AVRTXJJZERZONF-CQSZACIVSA-N 0 0 459.344 4.270 50 0 JIAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1)c1cc2ccccc2oc1=O ZINC000017201121 556240107 /nfs/dbraw/zinc/24/01/07/556240107.db2.gz NUWYWXVIANMUHC-UHFFFAOYSA-N 0 0 478.501 4.326 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 ZINC000026090092 556240989 /nfs/dbraw/zinc/24/09/89/556240989.db2.gz BCWOJJAOARHBHJ-UHFFFAOYSA-N 0 0 465.556 4.355 50 0 JIAARN CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccncc2)n2nc(SCc3ccccc3F)nc2N1 ZINC000017243368 556244132 /nfs/dbraw/zinc/24/41/32/556244132.db2.gz UZDNFZGXYAROJN-NRFANRHFSA-N 0 0 473.537 4.427 50 0 JIAARN CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccn2)n2nc(SCc3ccccc3F)nc2N1 ZINC000017243351 556244284 /nfs/dbraw/zinc/24/42/84/556244284.db2.gz SHYDIUHEYVUBGE-NRFANRHFSA-N 0 0 473.537 4.427 50 0 JIAARN COc1cc(OC)cc(-c2nc3n(n2)[C@@H](c2cccnc2)C(C(=O)Nc2ccccc2OC)=C(C)N3)c1 ZINC000017243470 556244464 /nfs/dbraw/zinc/24/44/64/556244464.db2.gz ZTUSLGAGPOWMQM-DEOSSOPVSA-N 0 0 498.543 4.294 50 0 JIAARN COc1ccccc1-c1nc2n(n1)[C@H](c1cccc(OC)c1OC)C(C(=O)Nc1cccnc1)=C(C)N2 ZINC000017243723 556245026 /nfs/dbraw/zinc/24/50/26/556245026.db2.gz DMUKBWXYYOAPFR-HSZRJFAPSA-N 0 0 498.543 4.294 50 0 JIAARN CC1=Nc2nnnn2[C@H](c2ccc(OCc3ccccc3)cc2)C1C(=O)OCc1ccccc1 ZINC000017243981 556245380 /nfs/dbraw/zinc/24/53/80/556245380.db2.gz LGKHFSWBNAORNI-XMMPIXPASA-N 0 0 453.502 4.284 50 0 JIAARN COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)ccc1OC(=O)c1ccccc1 ZINC000017243971 556245396 /nfs/dbraw/zinc/24/53/96/556245396.db2.gz GUMOIZIASRRDGT-DEOSSOPVSA-N 0 0 481.512 4.434 50 0 JIAARN CCCCn1nc(C(=O)NC2=C(C(=O)OCC)C(CC)=Nc3ccccc3N2)c2ccccc2c1=O ZINC000013041120 556245650 /nfs/dbraw/zinc/24/56/50/556245650.db2.gz OIYYPUKTRLRLPL-UHFFFAOYSA-N 0 0 487.560 4.309 50 0 JIAARN CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)c1 ZINC000017245754 556246215 /nfs/dbraw/zinc/24/62/15/556246215.db2.gz JSDGALRULUIFBR-PDGQHHTCSA-N 0 0 470.601 4.119 50 0 JIAARN COc1ccc(NC(=O)CSc2cn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc23)c(OC)c1 ZINC000017246782 556246922 /nfs/dbraw/zinc/24/69/22/556246922.db2.gz SPBWUKGOAWOGQX-QZTJIDSGSA-N 0 0 497.617 4.025 50 0 JIAARN Cc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 ZINC000013042369 556249340 /nfs/dbraw/zinc/24/93/40/556249340.db2.gz NMLQEJSQYLJPSC-UHFFFAOYSA-N 0 0 471.623 4.177 50 0 JIAARN CCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3cc(C)ccc3C(C)C)ccc21 ZINC000026121747 556249571 /nfs/dbraw/zinc/24/95/71/556249571.db2.gz WTGOAWUUCVNJRD-UHFFFAOYSA-N 0 0 450.583 4.338 50 0 JIAARN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3)nc2O)cc1 ZINC000017271403 556249930 /nfs/dbraw/zinc/24/99/30/556249930.db2.gz HCSUKCHUTMMEKG-UHFFFAOYSA-N 0 0 475.567 4.228 50 0 JIAARN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000026213707 556250757 /nfs/dbraw/zinc/25/07/57/556250757.db2.gz MKEHJMAKQOCVIQ-UHFFFAOYSA-N 0 0 477.565 4.478 50 0 JIAARN CCOC(=O)N1CCc2c(sc(NC(=O)C3=COCCO3)c2-c2nc3ccccc3s2)C1 ZINC000017297169 556252502 /nfs/dbraw/zinc/25/25/02/556252502.db2.gz VELVCTWBSNFTID-UHFFFAOYSA-N 0 0 471.560 4.366 50 0 JIAARN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000026366542 556252820 /nfs/dbraw/zinc/25/28/20/556252820.db2.gz WQVPVJGZFPWLKP-KBPBESRZSA-N 0 0 452.363 4.154 50 0 JIAARN Cc1cccc(C(C)C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000013059066 556254880 /nfs/dbraw/zinc/25/48/80/556254880.db2.gz MYWWVMMYXGPWAJ-UHFFFAOYSA-N 0 0 483.556 4.082 50 0 JIAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N(C2CCCCC2)C2CCCCC2)C1=O ZINC000013059485 556255298 /nfs/dbraw/zinc/25/52/98/556255298.db2.gz RQVQMBJHNDXSJW-HHHXNRCGSA-N 0 0 451.611 4.436 50 0 JIAARN COc1ccc(CC(=O)NCCN2C(=O)S/C(=C\c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000013060182 556255876 /nfs/dbraw/zinc/25/58/76/556255876.db2.gz NNWOGHNQCOBNDC-PDGQHHTCSA-N 0 0 495.384 4.406 50 0 JIAARN Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000013060978 556256519 /nfs/dbraw/zinc/25/65/19/556256519.db2.gz ZJVDXPWBWFQPFQ-RUZDIDTESA-N 0 0 481.593 4.129 50 0 JIAARN CN(CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000013061962 556257147 /nfs/dbraw/zinc/25/71/47/556257147.db2.gz VOZHQVUZDSOFFQ-XMMPIXPASA-N 0 0 454.636 4.056 50 0 JIAARN CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(Cl)s4)cc3C2=O)cc1 ZINC000013063173 556259353 /nfs/dbraw/zinc/25/93/53/556259353.db2.gz AZOMEMSUIBJFSK-UHFFFAOYSA-N 0 0 482.901 4.200 50 0 JIAARN Cc1cccc(-c2nnc([C@H](C)OC(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)o2)c1 ZINC000017529437 556261743 /nfs/dbraw/zinc/26/17/43/556261743.db2.gz KMNLDGBTCCQEIK-SFHVURJKSA-N 0 0 469.563 4.446 50 0 JIAARN O=C(N[C@H](N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000026841554 556264090 /nfs/dbraw/zinc/26/40/90/556264090.db2.gz KVMJSDSCLAGSAK-BBEJJTJUSA-N 0 0 475.203 4.047 50 0 biogenic JIAARN CCn1c(COC(=O)c2sc(-c3cccs3)nc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000017831246 556268043 /nfs/dbraw/zinc/26/80/43/556268043.db2.gz KOIOFMCPPUAOTR-UHFFFAOYSA-N 0 0 490.632 4.157 50 0 JIAARN CCOc1ccc(-c2nc(NC(=O)CN3C(=O)N[C@@](CC)(c4ccccc4)C3=O)sc2C)cc1 ZINC000013072727 556271829 /nfs/dbraw/zinc/27/18/29/556271829.db2.gz QWTGIWOUOCRFGV-VWLOTQADSA-N 0 0 478.574 4.313 50 0 JIAARN COc1cccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000013072904 556272160 /nfs/dbraw/zinc/27/21/60/556272160.db2.gz FCBXHEWSVPRBMQ-UHFFFAOYSA-N 0 0 495.553 4.483 50 0 JIAARN CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1cccc(C)c1 ZINC000013074010 556274560 /nfs/dbraw/zinc/27/45/60/556274560.db2.gz KOQXLJZAGMTSKL-UHFFFAOYSA-N 0 0 459.612 4.033 50 0 JIAARN CCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(N3C[C@@H](C)O[C@@H](C)C3)c2cc1OC ZINC000018036275 556278325 /nfs/dbraw/zinc/27/83/25/556278325.db2.gz SBALXOUCUWOAJC-IYBDPMFKSA-N 0 0 453.539 4.335 50 0 JIAARN O=C(C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12)c1ccc(F)cc1 ZINC000018063061 556281905 /nfs/dbraw/zinc/28/19/05/556281905.db2.gz NVZNKRNUUTUOCC-KAOXLYBCSA-N 0 0 473.891 4.241 50 0 JIAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnc(NCc3ccccc3)s1)CCC2 ZINC000013095464 556287659 /nfs/dbraw/zinc/28/76/59/556287659.db2.gz BWQJSTXPOYTOSQ-UHFFFAOYSA-N 0 0 460.606 4.218 50 0 JIAARN CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000018110749 556288823 /nfs/dbraw/zinc/28/88/23/556288823.db2.gz ZXMYASWXFQERPO-JOCHJYFZSA-N 0 0 474.586 4.300 50 0 JIAARN Cc1ccc(C(=O)NCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)cc1 ZINC000013096162 556289860 /nfs/dbraw/zinc/28/98/60/556289860.db2.gz WHFQNSDXCWPYAI-DEOSSOPVSA-N 0 0 454.574 4.220 50 0 JIAARN CCCN(Cc1ccc(OCC)c(OCC)c1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000013096137 556290007 /nfs/dbraw/zinc/29/00/07/556290007.db2.gz WERHOHSFKFGAGF-UHFFFAOYSA-N 0 0 474.623 4.321 50 0 JIAARN COc1cc(OC)c([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000018128844 556291958 /nfs/dbraw/zinc/29/19/58/556291958.db2.gz CKVGSLAKNHETNL-SMIHKQSGSA-N 0 0 494.931 4.417 50 0 JIAARN COc1ccccc1N1CCN(C(=O)CN2C(=O)c3ccccc3[C@@H]2c2c(C)[nH]c3ccccc32)CC1 ZINC000027546870 556294571 /nfs/dbraw/zinc/29/45/71/556294571.db2.gz AJYNIKSRCBZAML-GDLZYMKVSA-N 0 0 494.595 4.379 50 0 JIAARN Cc1nn(C)c2c1[C@@H](c1ccc(Br)cc1)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N2 ZINC000013097893 556295823 /nfs/dbraw/zinc/29/58/23/556295823.db2.gz QHLUNTIOGPBBRB-MSOLQXFVSA-N 0 0 473.758 4.027 50 0 JIAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCCCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000013098710 556298064 /nfs/dbraw/zinc/29/80/64/556298064.db2.gz BSQXYWKCRMKIHR-UHFFFAOYSA-N 0 0 464.468 4.124 50 0 JIAARN COc1ccc(CN(C(=O)Nc2ccc(OC)cc2)[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000018180327 556299031 /nfs/dbraw/zinc/29/90/31/556299031.db2.gz MMRLRXRESKEHJW-QHCPKHFHSA-N 0 0 459.502 4.070 50 0 JIAARN Cc1cccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2cccc(F)c2)c1 ZINC000027662708 556302125 /nfs/dbraw/zinc/30/21/25/556302125.db2.gz ZXURIYFIRBJJJP-UHFFFAOYSA-N 0 0 494.548 4.380 50 0 JIAARN COc1c(Cl)cc(C(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000027662874 556302401 /nfs/dbraw/zinc/30/24/01/556302401.db2.gz GFHSSBJTXSTTBM-LLVKDONJSA-N 0 0 497.194 4.187 50 0 JIAARN O=C(c1ccc(Cl)cc1Cl)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000027663998 556302930 /nfs/dbraw/zinc/30/29/30/556302930.db2.gz QUDCMWBTQGVUEQ-LLVKDONJSA-N 0 0 467.168 4.178 50 0 JIAARN O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Br)cc1)Nc1ccccc1 ZINC000027663673 556303010 /nfs/dbraw/zinc/30/30/10/556303010.db2.gz LEKIUKCKRHDBFP-HXUWFJFHSA-N 0 0 464.319 4.445 50 0 JIAARN O=C(c1ccc(Cl)cc1Cl)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 ZINC000027663999 556303089 /nfs/dbraw/zinc/30/30/89/556303089.db2.gz QUDCMWBTQGVUEQ-NSHDSACASA-N 0 0 467.168 4.178 50 0 JIAARN COc1ccccc1C(=O)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000027664077 556303372 /nfs/dbraw/zinc/30/33/72/556303372.db2.gz YJOUHWGCNMKKOL-SFHVURJKSA-N 0 0 459.951 4.438 50 0 JIAARN CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000013102450 556303552 /nfs/dbraw/zinc/30/35/52/556303552.db2.gz GYOXDRNNAWUDJC-UHFFFAOYSA-N 0 0 466.921 4.416 50 0 JIAARN Cc1ccc([C@]2(O)NC(=O)N[C@@H](c3ccc(-c4ccc(F)cc4)o3)[C@@H]2C(=O)C(F)(F)F)cc1 ZINC000027754289 556305973 /nfs/dbraw/zinc/30/59/73/556305973.db2.gz JYZXWPQFYDDGIJ-XQBPLPMBSA-N 0 0 462.399 4.341 50 0 JIAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccco2)c(C(=O)Nc2ccccc2C)n1 ZINC000027793147 556307533 /nfs/dbraw/zinc/30/75/33/556307533.db2.gz HMESZRVPEPABTI-UHFFFAOYSA-N 0 0 480.546 4.224 50 0 JIAARN Cc1ccccc1CS(=O)(=O)c1ncc(Br)c(C(=O)Nc2cccc(Cl)c2)n1 ZINC000027795547 556308189 /nfs/dbraw/zinc/30/81/89/556308189.db2.gz SDACVICVCADKSB-UHFFFAOYSA-N 0 0 480.771 4.427 50 0 JIAARN CCCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Br ZINC000027824842 556308442 /nfs/dbraw/zinc/30/84/42/556308442.db2.gz DDRAGKRFPDTIDT-UHFFFAOYSA-N 0 0 453.402 4.139 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000018206160 556309638 /nfs/dbraw/zinc/30/96/38/556309638.db2.gz HALYTPTUGHPZND-UHFFFAOYSA-N 0 0 459.793 4.063 50 0 JIAARN COc1ccc([C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C32SCCS2)N2CCOCC2)cc1 ZINC000018228035 556313171 /nfs/dbraw/zinc/31/31/71/556313171.db2.gz RWOAGMHGORMMBN-ZYJGPIPZSA-N 0 0 476.708 4.187 50 0 JIAARN CCNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000013112455 556313747 /nfs/dbraw/zinc/31/37/47/556313747.db2.gz ZFDABEGAXORZOJ-GFCCVEGCSA-N 0 0 459.369 4.386 50 0 JIAARN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 ZINC000018244884 556315265 /nfs/dbraw/zinc/31/52/65/556315265.db2.gz NCHVITJWMLTAOS-SOIKWTOOSA-N 0 0 471.340 4.431 50 0 JIAARN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1)c1ccc(Br)cc1 ZINC000018246874 556315669 /nfs/dbraw/zinc/31/56/69/556315669.db2.gz AZLPHLUVRBHQJG-KDURUIRLSA-N 0 0 470.319 4.168 50 0 JIAARN O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013113544 556318310 /nfs/dbraw/zinc/31/83/10/556318310.db2.gz OYOKJRVLCMIWAN-UHFFFAOYSA-N 0 0 461.993 4.394 50 0 JIAARN O=C(CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1)c1ccc(O)cc1O ZINC000018320305 556319219 /nfs/dbraw/zinc/31/92/19/556319219.db2.gz AVOKPOKWQNOGCV-JOCHJYFZSA-N 0 0 461.499 4.166 50 0 JIAARN CC[C@H]1CCc2sc(-c3nnc(SCC(=O)NCc4ccc5c(c4)OCO5)n3C)cc2C1 ZINC000013114702 556320465 /nfs/dbraw/zinc/32/04/65/556320465.db2.gz UUZJUZZWIBNKHU-AWEZNQCLSA-N 0 0 470.620 4.196 50 0 JIAARN C[C@H](c1nnc(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)n1-c1ccccc1)N1CCCCC1 ZINC000018437990 556321371 /nfs/dbraw/zinc/32/13/71/556321371.db2.gz JEHUQORBUWLOHG-MOPGFXCFSA-N 0 0 490.633 4.280 50 0 JIAARN CCOC(=O)c1c(C)oc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c32)c1C(N)=O ZINC000018488957 556322060 /nfs/dbraw/zinc/32/20/60/556322060.db2.gz IZJQTZQJJRZXID-UHFFFAOYSA-N 0 0 496.570 4.266 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)c1 ZINC000013116217 556324287 /nfs/dbraw/zinc/32/42/87/556324287.db2.gz NILUNMMWDDYYKE-UHFFFAOYSA-N 0 0 493.614 4.038 50 0 JIAARN Cc1ccccc1-n1nnnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000013116891 556324608 /nfs/dbraw/zinc/32/46/08/556324608.db2.gz KFDLPRDCNCQNDR-KRWDZBQOSA-N 0 0 450.549 4.095 50 0 JIAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccccc3F)n1C1CC1)CCCC2 ZINC000013117086 556325510 /nfs/dbraw/zinc/32/55/10/556325510.db2.gz ZNVQMKLOOVGXRU-UHFFFAOYSA-N 0 0 471.583 4.189 50 0 JIAARN Cc1cccc(O[C@H](C)C(=O)N(Cc2cccc3ccccc32)[C@H]2CCS(=O)(=O)C2)c1C ZINC000028228603 556325939 /nfs/dbraw/zinc/32/59/39/556325939.db2.gz FTNYHWKQDZZTAC-OFNKIYASSA-N 0 0 451.588 4.440 50 0 JIAARN O=C(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000018967748 556326152 /nfs/dbraw/zinc/32/61/52/556326152.db2.gz OYAXVPWXMGOTIS-UHFFFAOYSA-N 0 0 473.451 4.327 50 0 JIAARN CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN(C)Cc2ccc3c(c2)OCO3)cc1 ZINC000013117435 556327210 /nfs/dbraw/zinc/32/72/10/556327210.db2.gz DXGPQEVFYRQASL-UHFFFAOYSA-N 0 0 461.518 4.137 50 0 JIAARN Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000013117691 556328832 /nfs/dbraw/zinc/32/88/32/556328832.db2.gz SAFYJBSAKHJIKL-UHFFFAOYSA-N 0 0 497.551 4.357 50 0 JIAARN Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)Nc1cccc2nsnc21 ZINC000019077578 556328971 /nfs/dbraw/zinc/32/89/71/556328971.db2.gz FHFLIWCCZJOZGY-UHFFFAOYSA-N 0 0 454.533 4.384 50 0 JIAARN O=C(CSc1nnc(Nc2cccc(Cl)c2)s1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013117826 556329618 /nfs/dbraw/zinc/32/96/18/556329618.db2.gz WTOORZSFTWBHJG-QGZVFWFLSA-N 0 0 495.051 4.248 50 0 JIAARN O=C(N[C@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl)N1CCOCC1 ZINC000028293894 556329651 /nfs/dbraw/zinc/32/96/51/556329651.db2.gz QUSOCLNVRZQOJB-NSHDSACASA-N 0 0 480.632 4.018 50 0 JIAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)C1=O ZINC000013118127 556331130 /nfs/dbraw/zinc/33/11/30/556331130.db2.gz XHMYKCKYULAVOM-MHZLTWQESA-N 0 0 470.529 4.043 50 0 JIAARN COc1ccc(-c2noc(CSc3nnc(-c4cc(Cl)ccc4Cl)n3N)n2)c(OC)c1 ZINC000013120968 556335145 /nfs/dbraw/zinc/33/51/45/556335145.db2.gz ZTBCKOIPEPSKRG-UHFFFAOYSA-N 0 0 479.349 4.325 50 0 JIAARN Cc1ccc(SCCNC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)cc1 ZINC000013121213 556336550 /nfs/dbraw/zinc/33/65/50/556336550.db2.gz PUDVNVBZBARWCO-UHFFFAOYSA-N 0 0 470.572 4.047 50 0 JIAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1)Nc1ccc2c(c1)OCCO2 ZINC000013123072 556339395 /nfs/dbraw/zinc/33/93/95/556339395.db2.gz JNWCSJNBNSOEGD-KRWDZBQOSA-N 0 0 491.573 4.107 50 0 JIAARN Cc1c(CNC(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)cnn1C ZINC000013124035 556340060 /nfs/dbraw/zinc/34/00/60/556340060.db2.gz SWDKUWSIIFLYAM-CABCVRRESA-N 0 0 452.868 4.169 50 0 JIAARN Cc1occc1-c1nnc(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000019314144 556340217 /nfs/dbraw/zinc/34/02/17/556340217.db2.gz GAAAPFLUTSXVHE-UHFFFAOYSA-N 0 0 452.458 4.098 50 0 JIAARN COc1ccc(-c2noc(CCC(=O)NCc3ccc(-c4csc(C)n4)o3)n2)cc1OC ZINC000028728942 556340647 /nfs/dbraw/zinc/34/06/47/556340647.db2.gz GGAYWWCHRPJUCK-UHFFFAOYSA-N 0 0 454.508 4.028 50 0 JIAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 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O=C(CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1)Nc1cc(Cl)ccc1Cl ZINC000013134844 556364647 /nfs/dbraw/zinc/36/46/47/556364647.db2.gz HHKCRPTZPZUVJD-UHFFFAOYSA-N 0 0 457.313 4.358 50 0 JIAARN COc1cc(Cl)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)cc1OC ZINC000030253405 556364790 /nfs/dbraw/zinc/36/47/90/556364790.db2.gz ABTWIGQVJRSNBF-LLVKDONJSA-N 0 0 453.720 4.111 50 0 JIAARN CCSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)s1 ZINC000013134953 556365354 /nfs/dbraw/zinc/36/53/54/556365354.db2.gz YMFJJRJLIKEJFH-UHFFFAOYSA-N 0 0 469.013 4.381 50 0 JIAARN Cc1nc2scc(-c3cccs3)c2c(N2CCN(c3nnnn3-c3ccccc3)CC2)n1 ZINC000030520632 556366134 /nfs/dbraw/zinc/36/61/34/556366134.db2.gz XSWOHQNLVWMJBP-UHFFFAOYSA-N 0 0 460.592 4.031 50 0 JIAARN COc1ccc(Cl)cc1-n1c2nc(SCC(=O)NCCC(C)C)[nH]c(=O)c2sc1=S ZINC000013136218 556366883 /nfs/dbraw/zinc/36/68/83/556366883.db2.gz VQUXTWQCBIYWMY-UHFFFAOYSA-N 0 0 485.056 4.421 50 0 JIAARN Cn1ccnc1[C@H](NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1ccc(Cl)cc1 ZINC000030586730 556367753 /nfs/dbraw/zinc/36/77/53/556367753.db2.gz JFGDIYOYXAJKIV-GOSISDBHSA-N 0 0 460.847 4.192 50 0 JIAARN Cn1ccnc1[C@@H](NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1ccc(Cl)cc1 ZINC000030586729 556367844 /nfs/dbraw/zinc/36/78/44/556367844.db2.gz JFGDIYOYXAJKIV-SFHVURJKSA-N 0 0 460.847 4.192 50 0 JIAARN Cc1ccc(C(=O)Oc2ccc3cc(Br)ccc3c2)cc1S(=O)(=O)N1CCOCC1 ZINC000013137426 556368035 /nfs/dbraw/zinc/36/80/35/556368035.db2.gz OFBRXXXSOMKLBS-UHFFFAOYSA-N 0 0 490.375 4.151 50 0 JIAARN CCOC(=O)[C@@]1(c2sc(N3CCOCC3)nc2-c2ccccc2)Sc2ccccc2NC1=O ZINC000013137950 556369484 /nfs/dbraw/zinc/36/94/84/556369484.db2.gz FVLPLVGSYRCTFY-DEOSSOPVSA-N 0 0 481.599 4.150 50 0 JIAARN CCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C(=O)OC)cc1)C(Cl)(Cl)Cl ZINC000019800011 556376716 /nfs/dbraw/zinc/37/67/16/556376716.db2.gz ZKVDCVHYVXFGMP-HNNXBMFYSA-N 0 0 454.807 4.152 50 0 JIAARN O=C(N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Br)o1 ZINC000019800291 556377281 /nfs/dbraw/zinc/37/72/81/556377281.db2.gz GTJIFPKPFXZTAY-GFCCVEGCSA-N 0 0 471.591 4.455 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562947699 /nfs/dbraw/zinc/94/76/99/562947699.db2.gz YMMCTQWBDUNXJU-UHFFFAOYSA-N 0 0 451.324 4.205 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(C)cc3)c(NC(C)C)s2)cc1 ZINC000008613149 562948020 /nfs/dbraw/zinc/94/80/20/562948020.db2.gz WBTNDPYMMDWLEI-UHFFFAOYSA-N 0 0 450.607 4.246 50 0 JIAARN O=C(CNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1)OCc1ccccc1 ZINC000008666780 562948882 /nfs/dbraw/zinc/94/88/82/562948882.db2.gz SHTCRVFTCYKXRX-PXLXIMEGSA-N 0 0 493.357 4.080 50 0 JIAARN CCOC(=O)CSc1nnc(CSc2nc(=O)c3c4c(sc3[nH]2)CCC4)n1-c1ccccc1 ZINC000008670884 562949368 /nfs/dbraw/zinc/94/93/68/562949368.db2.gz IBRXQBASBACWHY-UHFFFAOYSA-N 0 0 499.643 4.002 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000008671401 562949487 /nfs/dbraw/zinc/94/94/87/562949487.db2.gz ZKWYAWHKGJTDQS-SXOMAYOGSA-N 0 0 487.575 4.102 50 0 JIAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000008671976 562949821 /nfs/dbraw/zinc/94/98/21/562949821.db2.gz 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aggregator JIAARN O=C(NC[C@H]1CCCO1)/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NC(=O)c1ccccc1 ZINC000012558417 562960570 /nfs/dbraw/zinc/96/05/70/562960570.db2.gz LFVBEESYUQKFPM-NMTARAHESA-N 0 0 493.567 4.000 50 0 JIAARN COc1ccc(Br)cc1CN(C)C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000032962395 563109870 /nfs/dbraw/zinc/10/98/70/563109870.db2.gz KQNYTUTXAJOPLG-UHFFFAOYSA-N 0 0 477.424 4.444 50 0 JIAARN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(C(=O)c5ccco5)CC4)cc3)sc2c1 ZINC000055496543 563206025 /nfs/dbraw/zinc/20/60/25/563206025.db2.gz YIXKWRRUVCLCCE-UHFFFAOYSA-N 0 0 460.559 4.261 50 0 JIAARN COc1ccc(Cl)cc1Nc1nc(N)nc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000054147197 569589250 /nfs/dbraw/zinc/58/92/50/569589250.db2.gz JTWYYLOJSBKTND-UHFFFAOYSA-N 0 0 493.921 4.200 50 0 JIAARN Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)nc(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000054147109 569589301 /nfs/dbraw/zinc/58/93/01/569589301.db2.gz YMJHTQPTPONJJH-UHFFFAOYSA-N 0 0 471.540 4.451 50 0 JIAARN O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccccc2I)cc1 ZINC000008452357 569591040 /nfs/dbraw/zinc/59/10/40/569591040.db2.gz BMUQINYWPXPAPZ-UHFFFAOYSA-N 0 0 456.283 4.474 50 0 JIAARN COc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3OC)CC2)cc1OC ZINC000057015889 569593927 /nfs/dbraw/zinc/59/39/27/569593927.db2.gz FFZVPUFSAAPHDX-BCHFMIIMSA-N 0 0 495.645 4.456 50 0 JIAARN COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057054178 569594111 /nfs/dbraw/zinc/59/41/11/569594111.db2.gz GYYRNULMRFQPFB-HNNXBMFYSA-N 0 0 474.483 4.123 50 0 JIAARN COCc1nc2ccccc2c(C)c1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000008705895 569594372 /nfs/dbraw/zinc/59/43/72/569594372.db2.gz MPDZAKRAPFDZHV-UHFFFAOYSA-N 0 0 499.449 4.085 50 0 JIAARN C[C@@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1)c1cccnc1 ZINC000008706839 569594484 /nfs/dbraw/zinc/59/44/84/569594484.db2.gz SWIBLPHBVLQTDW-LJQANCHMSA-N 0 0 475.570 4.316 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc2)cc1C ZINC000008709206 569595346 /nfs/dbraw/zinc/59/53/46/569595346.db2.gz FPBCDXHGRZAXMX-UHFFFAOYSA-N 0 0 497.661 4.359 50 0 JIAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000008710682 569595798 /nfs/dbraw/zinc/59/57/98/569595798.db2.gz HMCXTNYLLLVYNI-UHFFFAOYSA-N 0 0 451.596 4.031 50 0 JIAARN Cc1ccc(-c2nnc([C@H](C)N3CCN(c4cnn(-c5ccccc5)c(=O)c4Cl)CC3)o2)cc1 ZINC000057293273 569596015 /nfs/dbraw/zinc/59/60/15/569596015.db2.gz NYAWTCWBZGEATM-SFHVURJKSA-N 0 0 476.968 4.128 50 0 JIAARN Cc1c(N2C(=O)[C@@H](C)S[C@H]2c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C ZINC000008716648 569596515 /nfs/dbraw/zinc/59/65/15/569596515.db2.gz IKJYSAAPNBHLPQ-SZNDQCEHSA-N 0 0 458.381 4.414 50 0 JIAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000008719192 569597362 /nfs/dbraw/zinc/59/73/62/569597362.db2.gz JPKHOLZOHCWUFH-UHFFFAOYSA-N 0 0 477.546 4.284 50 0 JIAARN CC[C@@H](C)N(C(=O)CSc1nc2ccccc2c(Nc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000008720439 569598093 /nfs/dbraw/zinc/59/80/93/569598093.db2.gz HYDHDZOIVPYCMN-IEBWSBKVSA-N 0 0 484.647 4.280 50 0 JIAARN COc1ccc(-c2cc(N[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)ccc2OC)cc1 ZINC000008720639 569598174 /nfs/dbraw/zinc/59/81/74/569598174.db2.gz IUEHUSSSBYVSIB-QGZVFWFLSA-N 0 0 483.590 4.060 50 0 JIAARN CCOc1ccccc1Nc1nnc(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)s1 ZINC000008720664 569598185 /nfs/dbraw/zinc/59/81/85/569598185.db2.gz ZTEBSSBGRAYDGW-LJQANCHMSA-N 0 0 456.593 4.373 50 0 JIAARN COC(=O)[C@H]1CCCCN1Cn1nc(-c2cc(-c3ccccn3)nc3ccccc32)oc1=S ZINC000057364740 569599370 /nfs/dbraw/zinc/59/93/70/569599370.db2.gz FNNHDJPFJVCMFJ-OAQYLSRUSA-N 0 0 461.547 4.468 50 0 JIAARN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000008724241 569599629 /nfs/dbraw/zinc/59/96/29/569599629.db2.gz OFDMXCGOTZPJKZ-UHFFFAOYSA-N 0 0 457.578 4.189 50 0 JIAARN CC[C@@]1(c2ccc(C)cc2)NC(=O)N(Cc2nc3ccccc3c(=O)n2-c2cccc(C)c2)C1=O ZINC000008727542 569601137 /nfs/dbraw/zinc/60/11/37/569601137.db2.gz OKXDNAQKIZIMBT-NDEPHWFRSA-N 0 0 466.541 4.360 50 0 JIAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1F)NCc1ccc(F)cc1 ZINC000057426116 569601717 /nfs/dbraw/zinc/60/17/17/569601717.db2.gz VKEUIZQOKQNEDU-UHFFFAOYSA-N 0 0 457.527 4.193 50 0 JIAARN Cc1ccc2oc(=O)c3cc(C(=O)NCCN4CCN(c5ccccc5F)CC4)sc3c2c1 ZINC000058056749 569601949 /nfs/dbraw/zinc/60/19/49/569601949.db2.gz UINSRGBYCCRQJK-UHFFFAOYSA-N 0 0 465.550 4.007 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)CC2)cc1 ZINC000008735509 569601959 /nfs/dbraw/zinc/60/19/59/569601959.db2.gz TXNDJUVGWNOFRO-UHFFFAOYSA-N 0 0 464.990 4.379 50 0 JIAARN NC(=O)N[C@H](CC(=O)NC(c1ccccc1)c1ccccc1)c1cccc(Br)c1 ZINC000032962514 569603064 /nfs/dbraw/zinc/60/30/64/569603064.db2.gz WKICIVIRXQHKMI-HXUWFJFHSA-N 0 0 452.352 4.454 50 0 JIAARN CCc1nn(-c2ccccc2)c2c1CN(C(=O)NCC(=O)OC)[C@@H](c1ccc(F)cc1)c1cccn1-2 ZINC000032977752 569606442 /nfs/dbraw/zinc/60/64/42/569606442.db2.gz FCHZFPGZAUZPEC-VWLOTQADSA-N 0 0 487.535 4.152 50 0 JIAARN COc1ccc(-c2nc(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCCC4)c3)sc2C)cc1 ZINC000032981875 569606593 /nfs/dbraw/zinc/60/65/93/569606593.db2.gz RVWQTXRCPZSPNU-UHFFFAOYSA-N 0 0 487.603 4.173 50 0 JIAARN COc1ccccc1/C=C1/Oc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)cc2NC1=O ZINC000032983797 569607037 /nfs/dbraw/zinc/60/70/37/569607037.db2.gz FDQOMNHDIOJUDC-FYHAJLKWSA-N 0 0 472.497 4.329 50 0 JIAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000059875506 569608137 /nfs/dbraw/zinc/60/81/37/569608137.db2.gz QPUJYKGXBUAVTJ-GVSFCCMASA-N 0 0 461.631 4.126 50 0 JIAARN CCC[C@H]1CCc2nc(NC(=O)CS(=O)(=O)Cc3cccc(Br)c3)sc2C1 ZINC000060309005 569608630 /nfs/dbraw/zinc/60/86/30/569608630.db2.gz OXGHHXOXAWVQAI-ZDUSSCGKSA-N 0 0 471.442 4.364 50 0 JIAARN COc1ccccc1CNC(=O)C1CCN(c2ncnc3c2sc2nc(C)cc(C)c23)CC1 ZINC000032985989 569608715 /nfs/dbraw/zinc/60/87/15/569608715.db2.gz MNPZJPNCSNCEOQ-UHFFFAOYSA-N 0 0 461.591 4.398 50 0 JIAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)cc1OC ZINC000061720185 569609048 /nfs/dbraw/zinc/60/90/48/569609048.db2.gz LQXZZXYIHFJQSK-UHFFFAOYSA-N 0 0 457.486 4.359 50 0 JIAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C3CCC3)s2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000061720116 569609061 /nfs/dbraw/zinc/60/90/61/569609061.db2.gz XSWJRCTYWKVFNJ-UXHICEINSA-N 0 0 462.531 4.084 50 0 JIAARN Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCCc3ccc(Cl)cc3)s2)cc1 ZINC000032987051 569609240 /nfs/dbraw/zinc/60/92/40/569609240.db2.gz VAGYIXYUOXAJGP-UHFFFAOYSA-N 0 0 461.012 4.344 50 0 JIAARN Cc1ccc(NC(=O)c2nnc(CSCC(=O)N[C@H](C)CCc3ccccc3)s2)cc1 ZINC000032987087 569609282 /nfs/dbraw/zinc/60/92/82/569609282.db2.gz SKWRDZPHPZFXTD-QGZVFWFLSA-N 0 0 454.621 4.470 50 0 JIAARN O=C(CSCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCc1ccccc1Cl ZINC000032987239 569609390 /nfs/dbraw/zinc/60/93/90/569609390.db2.gz HQMPHUAPIURFRV-UHFFFAOYSA-N 0 0 450.948 4.133 50 0 JIAARN C[C@@H](CCc1ccccc1)NC(=O)CSCc1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000032987268 569609432 /nfs/dbraw/zinc/60/94/32/569609432.db2.gz ONUQIWZONWWCRP-HNNXBMFYSA-N 0 0 458.584 4.300 50 0 JIAARN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCCc3ccc(Cl)cc3)s2)cc1 ZINC000032987767 569609675 /nfs/dbraw/zinc/60/96/75/569609675.db2.gz IJXSTCCYFMYPOI-UHFFFAOYSA-N 0 0 458.971 4.134 50 0 JIAARN CC(C)c1ccc(N(CC(=O)Nc2ccnn2Cc2ccco2)S(=O)(=O)c2ccccc2)cc1 ZINC000032988104 569609851 /nfs/dbraw/zinc/60/98/51/569609851.db2.gz WXHATTARVNCUMS-UHFFFAOYSA-N 0 0 478.574 4.482 50 0 JIAARN C[C@H](NC(=O)CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)c1ccc2c(c1)OCCO2 ZINC000032995248 569610084 /nfs/dbraw/zinc/61/00/84/569610084.db2.gz YZJITYABEFJXJX-AWEZNQCLSA-N 0 0 486.981 4.415 50 0 JIAARN CCOc1ccc(CNC(=O)CCCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000032995237 569610104 /nfs/dbraw/zinc/61/01/04/569610104.db2.gz RHZZOMLMBNAUSK-UHFFFAOYSA-N 0 0 458.971 4.482 50 0 JIAARN COc1ccc(CCNC(=O)CC/C(C)=C/Cc2c(OC)c3c(c(C)c2OC)COC3=O)cc1 ZINC000062001462 569610188 /nfs/dbraw/zinc/61/01/88/569610188.db2.gz MEJOQRIWEBZIGC-UBKPWBPPSA-N 0 0 467.562 4.319 50 0 biogenic JIAARN COC(=O)c1ccc(NC(=O)CC/C(C)=C/Cc2c(O)c3c(c(C)c2OC)COC3=O)cc1 ZINC000062001743 569610321 /nfs/dbraw/zinc/61/03/21/569610321.db2.gz WBOBPSCGFJYWSI-LHHJGKSTSA-N 0 0 453.491 4.074 50 0 biogenic JIAARN Cc1ccccc1-c1nn2c(nc(CNC(=O)Nc3cccc(C(F)(F)F)c3)cc2=O)s1 ZINC000032995977 569610351 /nfs/dbraw/zinc/61/03/51/569610351.db2.gz PVSKSTOJYGKTIP-UHFFFAOYSA-N 0 0 459.453 4.467 50 0 JIAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCC[C@](O)(c3nccn3C)C(F)(F)F)cc2)o1 ZINC000062590014 569612314 /nfs/dbraw/zinc/61/23/14/569612314.db2.gz BKVHTWHIWNWAJQ-QHCPKHFHSA-N 0 0 485.466 4.016 50 0 JIAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000062591919 569612532 /nfs/dbraw/zinc/61/25/32/569612532.db2.gz OHKMJPCBXNUVMR-UHFFFAOYSA-N 0 0 472.730 4.027 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNc2cc(Cl)c(OC)c(Cl)c2)c1 ZINC000062592059 569612567 /nfs/dbraw/zinc/61/25/67/569612567.db2.gz BTXUFJAIAWCHQP-UHFFFAOYSA-N 0 0 490.409 4.092 50 0 JIAARN CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3ccc(OCCOC)cc3)cc2)c1C(F)(F)F ZINC000062592057 569612642 /nfs/dbraw/zinc/61/26/42/569612642.db2.gz NGTDNWZKRKIIBT-UHFFFAOYSA-N 0 0 491.466 4.023 50 0 JIAARN CN(CCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000062613748 569613122 /nfs/dbraw/zinc/61/31/22/569613122.db2.gz IOCGNOJCFYCFEA-UHFFFAOYSA-N 0 0 497.386 4.257 50 0 JIAARN O=S(=O)(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1cc(Br)ccc1Br ZINC000062621012 569613383 /nfs/dbraw/zinc/61/33/83/569613383.db2.gz TYEIDDQFORDMNC-LBPRGKRZSA-N 0 0 492.208 4.156 50 0 JIAARN CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000062637587 569613877 /nfs/dbraw/zinc/61/38/77/569613877.db2.gz IDHXARLLTPQWNP-FQEVSTJZSA-N 0 0 498.432 4.314 50 0 JIAARN CCOc1cc(C(=O)N2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)cc(OCC)c1OCC ZINC000063515145 569615328 /nfs/dbraw/zinc/61/53/28/569615328.db2.gz QAMPQJJYKLBBSL-UHFFFAOYSA-N 0 0 494.588 4.256 50 0 JIAARN CC(C)CCNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2ccccc2Cl)c1=O ZINC000064438441 569616633 /nfs/dbraw/zinc/61/66/33/569616633.db2.gz YVLLDXGUTCDHJR-UHFFFAOYSA-N 0 0 455.986 4.198 50 0 JIAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2)c1=O)Nc1ccc(F)cc1 ZINC000064438484 569616644 /nfs/dbraw/zinc/61/66/44/569616644.db2.gz UQEVQWUIXYNLNE-UHFFFAOYSA-N 0 0 463.484 4.299 50 0 JIAARN Cc1ccc(NC(=O)CCCCn2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)cc1 ZINC000064438507 569616653 /nfs/dbraw/zinc/61/66/53/569616653.db2.gz BDNYBBCZFFYQHM-UHFFFAOYSA-N 0 0 459.521 4.468 50 0 JIAARN Nc1c2cccnc2sc1-c1nnc(SCC(=O)Oc2ccccc2)n1C[C@H]1CCCO1 ZINC000064370126 569616660 /nfs/dbraw/zinc/61/66/60/569616660.db2.gz CPFNIMXOCQRAHI-OAHLLOKOSA-N 0 0 467.576 4.014 50 0 JIAARN CCOc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000033011569 569617170 /nfs/dbraw/zinc/61/71/70/569617170.db2.gz MQEJCWMBCHPDCJ-UHFFFAOYSA-N 0 0 462.984 4.251 50 0 JIAARN Cc1cccc(-c2nc3sc(N4CCN(C(=O)c5ccccn5)CC4)nn3c2NC(C)(C)C)c1 ZINC000064450886 569617417 /nfs/dbraw/zinc/61/74/17/569617417.db2.gz QVTVJOBJIKVREV-UHFFFAOYSA-N 0 0 475.622 4.334 50 0 JIAARN CC[C@@H](C)NC(=O)N1CCN(c2nn3c(nc(-c4ccccc4)c3NC(C)(C)C)s2)CC1 ZINC000064450981 569617492 /nfs/dbraw/zinc/61/74/92/569617492.db2.gz WCTFHGCEKBVXOJ-MRXNPFEDSA-N 0 0 455.632 4.298 50 0 JIAARN Cc1cccc(-c2nc3sc(N4CCN(C(=O)NC(C)C)CC4)nn3c2NC(C)(C)C)c1 ZINC000064451009 569617602 /nfs/dbraw/zinc/61/76/02/569617602.db2.gz KSHZVFSTMYHXNF-UHFFFAOYSA-N 0 0 455.632 4.217 50 0 JIAARN Cc1ccccc1-c1nc2sc(N3CCN(CC(=O)NC4CCCC4)CC3)nn2c1NC(C)(C)C ZINC000064451984 569617604 /nfs/dbraw/zinc/61/76/04/569617604.db2.gz FIXHLVWNMSKAQL-UHFFFAOYSA-N 0 0 495.697 4.157 50 0 JIAARN COc1ccc(NC(=O)COC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000033013842 569617654 /nfs/dbraw/zinc/61/76/54/569617654.db2.gz TUIOMXRNOVQXJA-UHFFFAOYSA-N 0 0 461.543 4.367 50 0 JIAARN Cc1cccc(-n2c(CN3CCN(C(=O)Nc4ccc(F)cc4F)CC3)nc3cccnc32)c1 ZINC000064578780 569620039 /nfs/dbraw/zinc/62/00/39/569620039.db2.gz CHKGUMOTCFSWBE-UHFFFAOYSA-N 0 0 462.504 4.357 50 0 JIAARN O=C(Nc1ccccc1Cl)NC1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000064579350 569620245 /nfs/dbraw/zinc/62/02/45/569620245.db2.gz OZVQKSFMZAAXCE-UHFFFAOYSA-N 0 0 488.979 4.284 50 0 JIAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)N(CC)c1cccc(C)c1 ZINC000064580490 569620360 /nfs/dbraw/zinc/62/03/60/569620360.db2.gz WECJAKFAKCHJNQ-UHFFFAOYSA-N 0 0 451.592 4.402 50 0 JIAARN CCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4cccc(Br)c4)ccc3n2CC)CC1 ZINC000064579545 569620364 /nfs/dbraw/zinc/62/03/64/569620364.db2.gz YBXTUBNNZXLZSU-UHFFFAOYSA-N 0 0 498.425 4.125 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccccc2SCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000033026268 569621068 /nfs/dbraw/zinc/62/10/68/569621068.db2.gz QEDABFNZRPIXHB-UHFFFAOYSA-N 0 0 451.573 4.404 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2ccccc2SCc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000033026240 569621177 /nfs/dbraw/zinc/62/11/77/569621177.db2.gz VPGLUMXHAVFZEI-UHFFFAOYSA-N 0 0 481.599 4.495 50 0 JIAARN O=C(CSc1nnc2n1c1ccsc1c(=O)n2Cc1ccco1)Nc1cccc(Cl)c1 ZINC000064590661 569621630 /nfs/dbraw/zinc/62/16/30/569621630.db2.gz LWQPGKWKTIAPGV-UHFFFAOYSA-N 0 0 471.951 4.131 50 0 JIAARN O=C(NCCCc1ccccc1)C1(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000033274799 569622025 /nfs/dbraw/zinc/62/20/25/569622025.db2.gz KIYUHKXFZSFPEZ-UHFFFAOYSA-N 0 0 452.551 4.407 50 0 JIAARN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)cc3Cl)nc2O)cc1 ZINC000064592088 569622256 /nfs/dbraw/zinc/62/22/56/569622256.db2.gz CBUKJYLGUOFDPU-UHFFFAOYSA-N 0 0 493.994 4.106 50 0 JIAARN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3c(C)cc(C)cc3C)nc2O)cc1 ZINC000064592083 569622334 /nfs/dbraw/zinc/62/23/34/569622334.db2.gz IRZGZDMHZQDDAX-UHFFFAOYSA-N 0 0 487.603 4.070 50 0 JIAARN Cc1ccc(Cc2nc3nc4c(c(N5CCN(c6cccc(C)c6C)CC5)n3n2)CCC4)cc1 ZINC000064592857 569622484 /nfs/dbraw/zinc/62/24/84/569622484.db2.gz XQFUJTCLFNGAEQ-UHFFFAOYSA-N 0 0 452.606 4.456 50 0 JIAARN Cc1ccccc1S(=O)(=O)N1CCC(c2ccn3ncc(C(=O)N4CCC(C)CC4)c3c2)CC1 ZINC000064612220 569623405 /nfs/dbraw/zinc/62/34/05/569623405.db2.gz RQTDZNKPIPYAAR-UHFFFAOYSA-N 0 0 480.634 4.083 50 0 JIAARN CCC(CC)C(=O)NCCc1nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1C ZINC000033320997 569623460 /nfs/dbraw/zinc/62/34/60/569623460.db2.gz APTMLJBNYAZHHF-UHFFFAOYSA-N 0 0 456.974 4.339 50 0 JIAARN Cc1cccc(NC(=O)Cn2c3nc(-c4ccccc4)nn3c(=O)c(Cc3ccccc3)c2C)c1 ZINC000033324733 569623482 /nfs/dbraw/zinc/62/34/82/569623482.db2.gz FKJDUQYLCOHBHV-UHFFFAOYSA-N 0 0 463.541 4.404 50 0 JIAARN COc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1OC ZINC000033331861 569624371 /nfs/dbraw/zinc/62/43/71/569624371.db2.gz NHHSXLDVHUQBPV-VWLOTQADSA-N 0 0 451.523 4.120 50 0 JIAARN COc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)cc1Cl ZINC000064775149 569627291 /nfs/dbraw/zinc/62/72/91/569627291.db2.gz SCLKCLSPNHHHKY-UHFFFAOYSA-N 0 0 450.882 4.174 50 0 JIAARN O=c1c2ccccc2n(Cc2nc(-c3cccc(Cl)c3)no2)c(=O)n1-c1cc(F)ccc1F ZINC000064775240 569627438 /nfs/dbraw/zinc/62/74/38/569627438.db2.gz YAIRWVJLPHAFTN-UHFFFAOYSA-N 0 0 466.831 4.182 50 0 JIAARN CC[C@H](C(=O)NCCCN(CC)c1cccc(C)c1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787500 569627890 /nfs/dbraw/zinc/62/78/90/569627890.db2.gz VVTBBPDTKPDDKW-HSZRJFAPSA-N 0 0 459.594 4.181 50 0 JIAARN CCC(=O)N1CCN(c2oc(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000064789690 569628495 /nfs/dbraw/zinc/62/84/95/569628495.db2.gz NBIGPHMMKXTNSA-UHFFFAOYSA-N 0 0 473.982 4.195 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000064789819 569628615 /nfs/dbraw/zinc/62/86/15/569628615.db2.gz GJTFDSPMSNLWJX-UHFFFAOYSA-N 0 0 483.571 4.100 50 0 JIAARN CCc1ccccc1NC(=O)Cn1c2ccccc2nc(N(Cc2ccc(C)cc2)C(C)=O)c1=O ZINC000064791375 569628830 /nfs/dbraw/zinc/62/88/30/569628830.db2.gz KVLWQDLVNZNOHP-UHFFFAOYSA-N 0 0 468.557 4.459 50 0 JIAARN CC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2n(CC(=O)Nc2ccc(F)cc2C)c1=O ZINC000064791417 569628915 /nfs/dbraw/zinc/62/89/15/569628915.db2.gz QQUPECDKPDOEJQ-UHFFFAOYSA-N 0 0 476.483 4.175 50 0 JIAARN CC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2n(CC(=O)Nc2c(F)cccc2F)c1=O ZINC000064791396 569628931 /nfs/dbraw/zinc/62/89/31/569628931.db2.gz XMTZJMMYADYBSL-UHFFFAOYSA-N 0 0 480.446 4.006 50 0 JIAARN CC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2n(CC(=O)Nc2ccccc2C)c1=O ZINC000064791419 569628962 /nfs/dbraw/zinc/62/89/62/569628962.db2.gz XQUXIGKZIXSKBE-UHFFFAOYSA-N 0 0 458.493 4.036 50 0 JIAARN O=C(CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000064792884 569629285 /nfs/dbraw/zinc/62/92/85/569629285.db2.gz MTQDXEKXRCWIDY-VWLOTQADSA-N 0 0 482.975 4.362 50 0 JIAARN Cc1ccc([C@H]2C=C(c3ccccc3)N(CC(=O)N3CCc4ccccc4C3)c3nnnn32)cc1 ZINC000064793066 569629389 /nfs/dbraw/zinc/62/93/89/569629389.db2.gz VTHJGJYJMJSVSQ-AREMUKBSSA-N 0 0 462.557 4.017 50 0 JIAARN Cc1ccc([C@@H]2C=C(c3ccccc3)N(CC(=O)NCc3ccccc3C)c3nnnn32)cc1 ZINC000064793153 569629497 /nfs/dbraw/zinc/62/94/97/569629497.db2.gz BKBXNWDORYGCDI-VWLOTQADSA-N 0 0 450.546 4.057 50 0 JIAARN O=C(CN1c2nnnn2[C@H](c2ccc(Cl)cc2)C=C1c1ccccc1)NCc1ccccc1 ZINC000064793604 569629596 /nfs/dbraw/zinc/62/95/96/569629596.db2.gz JAXADUJHGOWSTM-QHCPKHFHSA-N 0 0 456.937 4.093 50 0 JIAARN Cc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nnc2-c2sc3ncccc3c2N)cc1C ZINC000064793930 569629722 /nfs/dbraw/zinc/62/97/22/569629722.db2.gz ZFNQNDQTZZMEOL-KRWDZBQOSA-N 0 0 494.646 4.130 50 0 JIAARN Cc1cccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nnc2-c2sc3ncccc3c2N)c1C ZINC000064793992 569629858 /nfs/dbraw/zinc/62/98/58/569629858.db2.gz YDVQAIVSSMZOAJ-INIZCTEOSA-N 0 0 494.646 4.130 50 0 JIAARN COc1cc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc(OC)c1OC ZINC000064798024 569630527 /nfs/dbraw/zinc/63/05/27/569630527.db2.gz COLSKAOXZWSRTH-OAHLLOKOSA-N 0 0 459.545 4.081 50 0 JIAARN CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1cc(C)c(Br)cc1C ZINC000064837183 569636972 /nfs/dbraw/zinc/63/69/72/569636972.db2.gz IYCRBIFUMGSEIG-UHFFFAOYSA-N 0 0 462.369 4.179 50 0 JIAARN COc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000064815570 569632596 /nfs/dbraw/zinc/63/25/96/569632596.db2.gz HHFSCLKIEJSFDI-AREMUKBSSA-N 0 0 472.570 4.356 50 0 JIAARN COc1cccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000064815681 569632746 /nfs/dbraw/zinc/63/27/46/569632746.db2.gz GXEGRMBHHWWWRV-DEOSSOPVSA-N 0 0 450.564 4.098 50 0 JIAARN CCc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000064815991 569632913 /nfs/dbraw/zinc/63/29/13/569632913.db2.gz ZXYCVIYBWWOIOF-MUUNZHRXSA-N 0 0 484.556 4.450 50 0 JIAARN CC(=O)Nc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2cccc(C)c2)cc1 ZINC000064816096 569633144 /nfs/dbraw/zinc/63/31/44/569633144.db2.gz BHNFMFJMWOSIMU-NDEPHWFRSA-N 0 0 497.555 4.145 50 0 JIAARN Cc1cc(C)cc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000064816214 569633366 /nfs/dbraw/zinc/63/33/66/569633366.db2.gz CHXUNTQCBUOILL-MHZLTWQESA-N 0 0 454.530 4.495 50 0 JIAARN CSc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000064816254 569633389 /nfs/dbraw/zinc/63/33/89/569633389.db2.gz GJWDCRBCEDUZDK-XMMPIXPASA-N 0 0 450.564 4.343 50 0 JIAARN C[C@]1(C(=O)NCc2cccc(F)c2)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccc(F)cc1 ZINC000064816394 569633459 /nfs/dbraw/zinc/63/34/59/569633459.db2.gz DXDQFCUIHNYAFD-RUZDIDTESA-N 0 0 462.456 4.157 50 0 JIAARN Cc1ccccc1N1C(=O)c2cc(-c3ccco3)nn2C[C@@]1(C)C(=O)NCc1cccc(F)c1 ZINC000064816396 569633489 /nfs/dbraw/zinc/63/34/89/569633489.db2.gz BQIKAKCBHKWWJM-SANMLTNESA-N 0 0 458.493 4.326 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)Nc3ccccc3OC)n(Cc3ccc(Cl)cc3)c(=O)c21 ZINC000064817181 569634262 /nfs/dbraw/zinc/63/42/62/569634262.db2.gz VELFTPDNIWCWQE-UHFFFAOYSA-N 0 0 498.008 4.362 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)Nc3ccccc3F)n(Cc3ccccc3Cl)c(=O)c21 ZINC000064817310 569634465 /nfs/dbraw/zinc/63/44/65/569634465.db2.gz CPCZKBPYBFMOME-UHFFFAOYSA-N 0 0 485.972 4.493 50 0 JIAARN CCc1ccccc1NC(=O)CSc1nc2c(C)nn(CC)c2c(=O)n1Cc1ccc(F)cc1 ZINC000064817372 569634591 /nfs/dbraw/zinc/63/45/91/569634591.db2.gz YOXUMALIPFSNAA-UHFFFAOYSA-N 0 0 479.581 4.402 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)Nc3cccc(C)c3)n(Cc3cccc(OC)c3)c(=O)c21 ZINC000064817427 569634694 /nfs/dbraw/zinc/63/46/94/569634694.db2.gz CVTYIYPBUUQMJQ-UHFFFAOYSA-N 0 0 477.590 4.017 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)Nc3ccc(C)cc3)n(Cc3cccs3)c(=O)c21 ZINC000064817530 569634805 /nfs/dbraw/zinc/63/48/05/569634805.db2.gz JTCSHPMTOHYFKR-UHFFFAOYSA-N 0 0 453.593 4.070 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)Nc3ccccc3C(F)(F)F)n(Cc3ccco3)c(=O)c21 ZINC000064817465 569634808 /nfs/dbraw/zinc/63/48/08/569634808.db2.gz XVJZFJYEIIUURI-UHFFFAOYSA-N 0 0 491.495 4.312 50 0 JIAARN CCc1cccc(NC(=O)CSc2nc3c(C)nn(CC)c3c(=O)n2Cc2cccs2)c1 ZINC000064817546 569634914 /nfs/dbraw/zinc/63/49/14/569634914.db2.gz MZQUAZQZEIKRPL-UHFFFAOYSA-N 0 0 467.620 4.324 50 0 JIAARN CCn1nc(C)c2nc(SCC(=O)Nc3cccc(C)c3)n(Cc3cccs3)c(=O)c21 ZINC000064817540 569634923 /nfs/dbraw/zinc/63/49/23/569634923.db2.gz VXIZEDNPXRPVJQ-UHFFFAOYSA-N 0 0 453.593 4.070 50 0 JIAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000064835631 569636381 /nfs/dbraw/zinc/63/63/81/569636381.db2.gz SLIOADAUBCQKAW-UHFFFAOYSA-N 0 0 452.001 4.180 50 0 JIAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(C)cc3Cl)c2=O)cc1 ZINC000064838565 569637175 /nfs/dbraw/zinc/63/71/75/569637175.db2.gz OHGQRHGOPMFFLO-UHFFFAOYSA-N 0 0 458.967 4.207 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccc(C)cc2)c1=O ZINC000064838532 569637195 /nfs/dbraw/zinc/63/71/95/569637195.db2.gz RJGKEIPFYNVQPW-UHFFFAOYSA-N 0 0 488.993 4.215 50 0 JIAARN Cc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)cc3)c2=O)c1C ZINC000064838671 569637205 /nfs/dbraw/zinc/63/72/05/569637205.db2.gz XXKCNNTXJMBMDG-UHFFFAOYSA-N 0 0 458.967 4.207 50 0 JIAARN COc1ccc(-c2nn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c3noc(C)c32)cc1 ZINC000064842661 569637653 /nfs/dbraw/zinc/63/76/53/569637653.db2.gz SGNVMDISNBQLEL-UHFFFAOYSA-N 0 0 458.396 4.026 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCC(C)CC2)cc1C ZINC000064846516 569638525 /nfs/dbraw/zinc/63/85/25/569638525.db2.gz LMJFZVRRAQMONF-UHFFFAOYSA-N 0 0 483.634 4.032 50 0 JIAARN COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O ZINC000064859206 569639082 /nfs/dbraw/zinc/63/90/82/569639082.db2.gz SPNWWFJGYHYDNY-HCAGXNQISA-N 0 0 470.528 4.203 50 0 in-vitro JIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000064866635 569639681 /nfs/dbraw/zinc/63/96/81/569639681.db2.gz VELPCROXRHMQPT-UHFFFAOYSA-N 0 0 452.891 4.254 50 0 JIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)N1c2ccccc2C[C@@H]1C ZINC000064866973 569639787 /nfs/dbraw/zinc/63/97/87/569639787.db2.gz KKDKRWACKPJLFV-HNNXBMFYSA-N 0 0 454.548 4.109 50 0 JIAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)N3CCN(c4cccc(C)c4C)CC3)c2)c1C ZINC000064867164 569639789 /nfs/dbraw/zinc/63/97/89/569639789.db2.gz JMZJJIDZIWGVBB-UHFFFAOYSA-N 0 0 495.645 4.396 50 0 JIAARN CCOc1ccc(N(C)C(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc1 ZINC000064867035 569639792 /nfs/dbraw/zinc/63/97/92/569639792.db2.gz FJYDHDNWFIEJKH-UHFFFAOYSA-N 0 0 472.563 4.193 50 0 JIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)N1CCCc2ccccc21 ZINC000064866833 569639820 /nfs/dbraw/zinc/63/98/20/569639820.db2.gz NPMBAAFKFIFVME-UHFFFAOYSA-N 0 0 454.548 4.110 50 0 JIAARN COc1ccc(/C=C\C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CCN(C)C5)cc2)cc1 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Cc1ccc(-n2c3ncn(CC(=O)c4ccccc4Cl)c3c(=O)n(CCC(C)C)c2=O)cc1 ZINC000034695099 569647453 /nfs/dbraw/zinc/64/74/53/569647453.db2.gz CSTUPMKOPPZNPL-UHFFFAOYSA-N 0 0 464.953 4.240 50 0 JIAARN CCc1ccc(-n2nc(N3CCC[C@H](C(=O)N[C@@H](C)CCc4ccccc4)C3)ccc2=O)cc1 ZINC000064928341 569647469 /nfs/dbraw/zinc/64/74/69/569647469.db2.gz DCNDTXKWJNUHNI-URXFXBBRSA-N 0 0 458.606 4.149 50 0 JIAARN CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc21 ZINC000065020981 569648204 /nfs/dbraw/zinc/64/82/04/569648204.db2.gz NJCVOVCZIKEWGE-UHFFFAOYSA-N 0 0 476.042 4.131 50 0 JIAARN O=C(c1cccc(F)c1)N1CCCN(c2nc3ccccc3c3nnc(Cc4ccccc4)n32)CC1 ZINC000034700519 569649040 /nfs/dbraw/zinc/64/90/40/569649040.db2.gz PJPDIAPDSMVVNI-UHFFFAOYSA-N 0 0 480.547 4.360 50 0 JIAARN CCOc1ccccc1CNC(=O)COc1nc(CC)nc2onc(-c3ccc(F)cc3)c21 ZINC000065024922 569650115 /nfs/dbraw/zinc/65/01/15/569650115.db2.gz YWFUJWGWTPFFFF-UHFFFAOYSA-N 0 0 450.470 4.080 50 0 JIAARN Cc1cccc([C@H]2c3cc(OCC(=O)NC[C@@H]4CCCO4)ccc3CCN2C(=O)c2ccccc2)c1 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CC1CCN(c2nc3c(c(N4CCC(C)CC4)n2)CN(C(=O)NCc2ccccc2)CC3)CC1 ZINC000034756571 569656536 /nfs/dbraw/zinc/65/65/36/569656536.db2.gz ZTHWBQGFNYWXJF-UHFFFAOYSA-N 0 0 462.642 4.217 50 0 JIAARN CCCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)nc1 ZINC000065063390 569656598 /nfs/dbraw/zinc/65/65/98/569656598.db2.gz HYWLYYQQLJAJJV-UHFFFAOYSA-N 0 0 482.562 4.163 50 0 JIAARN CCOc1ccccc1NC(=O)N1CCN(Cc2nc3cccnc3n2-c2cccc(C)c2)CC1 ZINC000065075404 569657746 /nfs/dbraw/zinc/65/77/46/569657746.db2.gz UPSDCBNLFCWZQT-UHFFFAOYSA-N 0 0 470.577 4.477 50 0 JIAARN COc1ccc(NC(=O)N2CCN(Cc3nc4cccnc4n3-c3cccc(C)c3)CC2)c(OC)c1 ZINC000065075405 569657793 /nfs/dbraw/zinc/65/77/93/569657793.db2.gz RHRSUWSCXDCYJF-UHFFFAOYSA-N 0 0 486.576 4.096 50 0 JIAARN C[C@@H]1CN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4c(F)cccc4F)C3=O)cc2)C[C@H](C)O1 ZINC000034761432 569657855 /nfs/dbraw/zinc/65/78/55/569657855.db2.gz GHFWJTTUAJFHFQ-SQXLMCOJSA-N 0 0 472.513 4.451 50 0 JIAARN O=C(CCn1nnc2cc(-c3noc(Cc4ccc(Br)cc4)n3)ccc21)N1CCCCC1 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/nfs/dbraw/zinc/70/22/30/569702230.db2.gz DBBSZWPOVOCBJB-IOJOMAJISA-N 0 0 457.659 4.177 50 0 biogenic JIAARN CCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3ccccc3OCC)CC2)cc1Cl ZINC000072328720 569702628 /nfs/dbraw/zinc/70/26/28/569702628.db2.gz FIGICMVTJUDLQY-UHFFFAOYSA-N 0 0 454.958 4.490 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cc(Cl)ccc4C)C3)c(C)s2)no1 ZINC000035555256 569702722 /nfs/dbraw/zinc/70/27/22/569702722.db2.gz XMLCVJPDNZMJLK-OAHLLOKOSA-N 0 0 495.026 4.416 50 0 JIAARN O=C(COC(=O)COc1ccc(I)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000072331041 569702894 /nfs/dbraw/zinc/70/28/94/569702894.db2.gz OJZKAALVNQRIPX-UHFFFAOYSA-N 0 0 480.085 4.159 50 0 JIAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2)C1 ZINC000035555733 569703027 /nfs/dbraw/zinc/70/30/27/569703027.db2.gz ZRBSEUWUUKLQFD-HNNXBMFYSA-N 0 0 492.598 4.408 50 0 JIAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)c2)C1 ZINC000035555737 569703095 /nfs/dbraw/zinc/70/30/95/569703095.db2.gz ZRBSEUWUUKLQFD-OAHLLOKOSA-N 0 0 492.598 4.408 50 0 JIAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)C2CCCCC2)C1 ZINC000035555840 569703120 /nfs/dbraw/zinc/70/31/20/569703120.db2.gz OVVDBQVOLPNQMQ-QGZVFWFLSA-N 0 0 492.667 4.176 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NCc2ccccc2F)cc1 ZINC000035559325 569703708 /nfs/dbraw/zinc/70/37/08/569703708.db2.gz OXDXDKRYEMFBAB-DEOSSOPVSA-N 0 0 452.551 4.129 50 0 JIAARN CCOC(=O)c1csc(NC(=O)c2sc(-n3cccc3)nc2-c2ccc(OC)cc2)n1 ZINC000072402757 569703768 /nfs/dbraw/zinc/70/37/68/569703768.db2.gz XMBFYPCBXATTGX-UHFFFAOYSA-N 0 0 454.533 4.495 50 0 JIAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000072436880 569703980 /nfs/dbraw/zinc/70/39/80/569703980.db2.gz VSLVJMBKQUHNCQ-UHFFFAOYSA-N 0 0 454.884 4.103 50 0 JIAARN COc1ccc2cc(C(=O)N3CCC(CC(=O)NCc4cccc(Br)c4)CC3)[nH]c2c1 ZINC000035562004 569704498 /nfs/dbraw/zinc/70/44/98/569704498.db2.gz OYWMJBZHWGHWPA-UHFFFAOYSA-N 0 0 484.394 4.498 50 0 JIAARN CCCc1c(OC)c2c(c(OC)c1[C@@H]1Nc3c(sc4nc(C)cc(COC)c43)C(=O)N1)OCO2 ZINC000078549423 569706301 /nfs/dbraw/zinc/70/63/01/569706301.db2.gz BGYXTODQUSOMTP-JOCHJYFZSA-N 0 0 485.562 4.304 50 0 JIAARN COc1ccc(C2(CNC(=O)Cn3ccc4c3cccc4Br)CCOCC2)cc1 ZINC000079189254 569707065 /nfs/dbraw/zinc/70/70/65/569707065.db2.gz RIAYJADWPIYNAD-UHFFFAOYSA-N 0 0 457.368 4.277 50 0 biogenic JIAARN Cc1ccc[n+](C2=C(c3c(=O)n(-c4ccc(Cl)cc4)[n-]c3C(C)C)C(=O)N(C(C)C)C2=O)c1 ZINC000035712729 569708010 /nfs/dbraw/zinc/70/80/10/569708010.db2.gz PFWXGSKMZVWKBU-UHFFFAOYSA-O 0 0 465.961 4.096 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)Nc1cccc(OC)c1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000035729444 569709040 /nfs/dbraw/zinc/70/90/40/569709040.db2.gz UGRBHFIASGJONJ-YJYMSZOUSA-N 0 0 483.550 4.117 50 0 JIAARN CC[C@H](C)[C@H](NC(=O)Nc1ccc(F)cc1F)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000035729437 569709058 /nfs/dbraw/zinc/70/90/58/569709058.db2.gz UKUYJROWNAZCHJ-VOJFVSQTSA-N 0 0 489.504 4.387 50 0 JIAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc(NC(=O)c2ccccc2Br)c1 ZINC000035729650 569709185 /nfs/dbraw/zinc/70/91/85/569709185.db2.gz ZTNHSSKWRXKXHS-LJQANCHMSA-N 0 0 488.407 4.400 50 0 JIAARN C[C@@H](C(=O)NCCN1CCOCC1)n1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000085407263 569710421 /nfs/dbraw/zinc/71/04/21/569710421.db2.gz VAWNHAJOXXFZPD-HNNXBMFYSA-N 0 0 479.383 4.082 50 0 JIAARN CCOC(=O)CCC(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)[C@@H](C)CC ZINC000035769643 569710481 /nfs/dbraw/zinc/71/04/81/569710481.db2.gz VAHXQCMQYRAKAB-KRWDZBQOSA-N 0 0 465.543 4.064 50 0 JIAARN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)c1 ZINC000035804777 569711299 /nfs/dbraw/zinc/71/12/99/569711299.db2.gz KEKPWUFWEMJLKP-QRLWHIHSSA-N 0 0 465.546 4.341 50 0 biogenic JIAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000085642575 569711694 /nfs/dbraw/zinc/71/16/94/569711694.db2.gz PXBFBLQMPSWRHX-UHFFFAOYSA-N 0 0 487.025 4.490 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2C)CC1 ZINC000085642661 569711790 /nfs/dbraw/zinc/71/17/90/569711790.db2.gz QRNDICLIIBRRNQ-UHFFFAOYSA-N 0 0 466.607 4.145 50 0 JIAARN Cc1ccc(-n2nc(N3CCCN(C(=O)[C@H](C)Oc4cccc(Cl)c4)CC3)ccc2=O)cc1C ZINC000085654123 569714493 /nfs/dbraw/zinc/71/44/93/569714493.db2.gz FEOUOZDFUJKYCM-FQEVSTJZSA-N 0 0 480.996 4.009 50 0 JIAARN Cc1cccc(Cn2c(C(=O)N3CCN(C(=O)COCc4ccccc4)[C@@H](C)C3)cc3ccoc32)c1 ZINC000035843999 569714656 /nfs/dbraw/zinc/71/46/56/569714656.db2.gz WAJLIFVISPWYSN-QFIPXVFZSA-N 0 0 485.584 4.481 50 0 JIAARN Cc1cc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)ccc1Br ZINC000085690546 569714983 /nfs/dbraw/zinc/71/49/83/569714983.db2.gz XLWXWAUFTLNPAH-INIZCTEOSA-N 0 0 468.355 4.034 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1C ZINC000085712620 569715282 /nfs/dbraw/zinc/71/52/82/569715282.db2.gz VPUVJYWVCHSNMU-UHFFFAOYSA-N 0 0 483.590 4.158 50 0 JIAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2Cl)c1=O)NC1CCCC1 ZINC000085941982 569716447 /nfs/dbraw/zinc/71/64/47/569716447.db2.gz KUUFIGWEZVMJOV-UHFFFAOYSA-N 0 0 471.960 4.233 50 0 JIAARN COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)ccc1OC(C)C ZINC000086056967 569717023 /nfs/dbraw/zinc/71/70/23/569717023.db2.gz JIHVRMBFNOEYGA-QGZVFWFLSA-N 0 0 451.548 4.332 50 0 JIAARN CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000086056926 569717046 /nfs/dbraw/zinc/71/70/46/569717046.db2.gz KOKCKMDPUDTKFY-QGZVFWFLSA-N 0 0 451.548 4.334 50 0 JIAARN CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)ccc1OC ZINC000086057169 569717206 /nfs/dbraw/zinc/71/72/06/569717206.db2.gz CZOXYCQDNRVCDT-QGZVFWFLSA-N 0 0 451.548 4.252 50 0 JIAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccc5c(c4)OCO5)CC2)n1)CC[C@H](C)C3 ZINC000035866093 569717394 /nfs/dbraw/zinc/71/73/94/569717394.db2.gz UDTSCLYVXBBJQL-INIZCTEOSA-N 0 0 478.618 4.460 50 0 JIAARN CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3F)[nH]c(=O)c21 ZINC000086057683 569717468 /nfs/dbraw/zinc/71/74/68/569717468.db2.gz VXPCOAGCHHKFIJ-OAHLLOKOSA-N 0 0 455.511 4.083 50 0 JIAARN CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)cc1OC ZINC000086057745 569717478 /nfs/dbraw/zinc/71/74/78/569717478.db2.gz PMYMEBHZGCXXHS-KRWDZBQOSA-N 0 0 469.538 4.473 50 0 JIAARN O=S(=O)(Cc1ccccc1)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035867780 569717852 /nfs/dbraw/zinc/71/78/52/569717852.db2.gz CRMYURJNTFFVPK-UHFFFAOYSA-N 0 0 468.648 4.100 50 0 JIAARN CCc1cc(=O)oc2cc(OC(=O)c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)ccc12 ZINC000089282737 569718127 /nfs/dbraw/zinc/71/81/27/569718127.db2.gz VMWUJWCADVLTOS-UHFFFAOYSA-N 0 0 475.522 4.326 50 0 JIAARN COc1cc(C(C)=O)ccc1OCC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000089292136 569718197 /nfs/dbraw/zinc/71/81/97/569718197.db2.gz CYJQNPQQPZJBKO-UHFFFAOYSA-N 0 0 465.377 4.364 50 0 JIAARN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cccc(-n3cc(Br)cn3)c2)C1 ZINC000089457722 569718444 /nfs/dbraw/zinc/71/84/44/569718444.db2.gz DUVDHKVQGFOFPN-QGZVFWFLSA-N 0 0 475.774 4.306 50 0 JIAARN COc1ccc(NC(=O)[C@H]2Cc3ccc(OC)cc3N3CCN(c4ccc(F)cc4)C[C@H]23)cc1 ZINC000035871695 569718883 /nfs/dbraw/zinc/71/88/83/569718883.db2.gz OSGPHNZMRJECBR-AZGAKELHSA-N 0 0 461.537 4.349 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c(C)c1 ZINC000089568854 569718977 /nfs/dbraw/zinc/71/89/77/569718977.db2.gz PXPNYLKQHQBAPB-UHFFFAOYSA-N 0 0 477.630 4.224 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CSc3ccc4ccccc4c3)CC2)c1 ZINC000089624007 569719119 /nfs/dbraw/zinc/71/91/19/569719119.db2.gz XCGYNUJWTXIHSZ-UHFFFAOYSA-N 0 0 454.617 4.082 50 0 JIAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000089633466 569719251 /nfs/dbraw/zinc/71/92/51/569719251.db2.gz TYPSBKOIQVLVCJ-XMMPIXPASA-N 0 0 484.021 4.335 50 0 JIAARN Cc1cc(C(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c(C)n1CCc1ccccc1 ZINC000089632308 569719278 /nfs/dbraw/zinc/71/92/78/569719278.db2.gz XJXGOVBSXUBSKB-VWLOTQADSA-N 0 0 472.585 4.431 50 0 JIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(CCc2ccccc2)C(=O)[C@@H](C)O3)cc1OC ZINC000035883544 569720060 /nfs/dbraw/zinc/72/00/60/569720060.db2.gz GAFNOBSGCMSLRP-GOSISDBHSA-N 0 0 460.530 4.308 50 0 JIAARN CC[C@@H]1Oc2ccc(NC(=O)Cc3ccc(OC)cc3)cc2CN(Cc2ccc3c(c2)OCO3)C1=O ZINC000035883394 569720064 /nfs/dbraw/zinc/72/00/64/569720064.db2.gz RFQPVSIJXRBNMD-QHCPKHFHSA-N 0 0 488.540 4.305 50 0 JIAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000089941458 569720460 /nfs/dbraw/zinc/72/04/60/569720460.db2.gz WEKMRWBFPONRIR-IAGOWNOFSA-N 0 0 482.533 4.150 50 0 JIAARN O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000090607146 569721072 /nfs/dbraw/zinc/72/10/72/569721072.db2.gz LSLONVIHCPSIPP-UHFFFAOYSA-N 0 0 493.633 4.165 50 0 JIAARN Cc1cccc(Cc2c(C)nc(C)nc2N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000035888186 569721206 /nfs/dbraw/zinc/72/12/06/569721206.db2.gz DCJZAVTWPLICKC-UHFFFAOYSA-N 0 0 471.026 4.157 50 0 JIAARN Cc1cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)nc(-c2cccc(F)c2)n1 ZINC000035890285 569721782 /nfs/dbraw/zinc/72/17/82/569721782.db2.gz FMHDDPNCCXHBML-UHFFFAOYSA-N 0 0 455.331 4.316 50 0 JIAARN C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000095364941 569722742 /nfs/dbraw/zinc/72/27/42/569722742.db2.gz ISQJPAGNHKAZDK-AWEZNQCLSA-N 0 0 486.523 4.024 50 0 JIAARN O=C(CS(=O)(=O)Cc1ccc(Br)cc1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000095393967 569723197 /nfs/dbraw/zinc/72/31/97/569723197.db2.gz QAMKGDNFXXKRKG-UHFFFAOYSA-N 0 0 471.804 4.256 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000035908572 569724149 /nfs/dbraw/zinc/72/41/49/569724149.db2.gz ALNZXGJHZLJOQB-UHFFFAOYSA-N 0 0 468.605 4.358 50 0 JIAARN COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)CN(CCc1ccccc1)C(=O)[C@H](C)O2 ZINC000035909058 569724410 /nfs/dbraw/zinc/72/44/10/569724410.db2.gz HVTLIRKCCVUGJS-SFHVURJKSA-N 0 0 460.530 4.308 50 0 JIAARN Cn1c(CCc2ccccc2)nc2cc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)ccc21 ZINC000095479384 569724452 /nfs/dbraw/zinc/72/44/52/569724452.db2.gz WAJGTRHRTKEYFF-QFIPXVFZSA-N 0 0 481.556 4.477 50 0 JIAARN COc1cccc(CC(=O)Nc2ccc3c(c2)CN(CCOc2ccccc2)C(=O)[C@@H](C)O3)c1 ZINC000035909194 569724546 /nfs/dbraw/zinc/72/45/46/569724546.db2.gz MGLRNJPJCWNFEH-LJQANCHMSA-N 0 0 460.530 4.065 50 0 JIAARN COc1cccc(CN2Cc3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3O[C@H](C)C2=O)c1 ZINC000035909278 569724549 /nfs/dbraw/zinc/72/45/49/569724549.db2.gz VHKWWZDZSFDLQK-QGZVFWFLSA-N 0 0 476.529 4.274 50 0 JIAARN Cc1cc(Cl)ccc1N(CCOC(=O)c1ccccc1)C1=NS(=O)(=O)c2ccccc21 ZINC000095481865 569724812 /nfs/dbraw/zinc/72/48/12/569724812.db2.gz IMRDINTZUGISPX-UHFFFAOYSA-N 0 0 454.935 4.461 50 0 JIAARN O=C(CCc1nc(CSc2nc3cc(Cl)ccc3o2)no1)Nc1ccc2c(c1)OCO2 ZINC000095481953 569724883 /nfs/dbraw/zinc/72/48/83/569724883.db2.gz UUYRCDGQYMKIOT-UHFFFAOYSA-N 0 0 458.883 4.457 50 0 JIAARN COc1cccc(C(=O)Nc2ccc3c(c2)CN(Cc2cccc(OC)c2OC)C(=O)[C@@H](C)O3)c1 ZINC000035909737 569724958 /nfs/dbraw/zinc/72/49/58/569724958.db2.gz MJMRKGXZYRDQJX-QGZVFWFLSA-N 0 0 476.529 4.274 50 0 JIAARN COc1ccc(NC(=O)Cn2c3ccc(C)cc3c(=O)n(-c3ccc(C)c(Cl)c3)c2=O)cc1 ZINC000095536153 569725627 /nfs/dbraw/zinc/72/56/27/569725627.db2.gz MAXDKQKAUCVARD-UHFFFAOYSA-N 0 0 463.921 4.070 50 0 JIAARN O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000095541297 569726607 /nfs/dbraw/zinc/72/66/07/569726607.db2.gz ZELUQBICCMIITG-UHFFFAOYSA-N 0 0 471.370 4.299 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCC(C)C)n3c2=O)nn1-c1ccc(C)cc1 ZINC000035911607 569726880 /nfs/dbraw/zinc/72/68/80/569726880.db2.gz JNIUBIQMUFCDOI-UHFFFAOYSA-N 0 0 463.607 4.239 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccccc4)n3c2=O)nn1-c1cccc(F)c1 ZINC000035911831 569726969 /nfs/dbraw/zinc/72/69/69/569726969.db2.gz VNGQKDZJKBMJAD-UHFFFAOYSA-N 0 0 487.560 4.224 50 0 JIAARN CCN1CCN(C(=O)c2cc3cc(NC(=O)C4CCC4)ccc3n2Cc2cccc(F)c2)CC1 ZINC000095545220 569727007 /nfs/dbraw/zinc/72/70/07/569727007.db2.gz NNKSZZBBCCHANR-UHFFFAOYSA-N 0 0 462.569 4.345 50 0 JIAARN O=C(CSc1nccn1-c1ccc(C(=O)NCc2ccc(F)cc2)cc1)NC1CCCCC1 ZINC000095545972 569727074 /nfs/dbraw/zinc/72/70/74/569727074.db2.gz PDVDZLCQBFVWNZ-UHFFFAOYSA-N 0 0 466.582 4.482 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4cccnc4)n3c2=O)nn1-c1cccc(C)c1C ZINC000035912025 569727100 /nfs/dbraw/zinc/72/71/00/569727100.db2.gz CSBZTEPYBWLMRM-UHFFFAOYSA-N 0 0 498.612 4.096 50 0 JIAARN CN1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)CC1 ZINC000095546805 569727197 /nfs/dbraw/zinc/72/71/97/569727197.db2.gz HCEIBDLSZNVXBI-UHFFFAOYSA-N 0 0 488.592 4.148 50 0 JIAARN CCN1CCN(C(=O)CCN(Cc2ccccc2)C(=O)c2cc(-c3c(C)cc(C)cc3C)on2)CC1 ZINC000095549658 569727382 /nfs/dbraw/zinc/72/73/82/569727382.db2.gz XEYCAXRWSRUXKP-UHFFFAOYSA-N 0 0 488.632 4.463 50 0 JIAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1cccc(OC)c1 ZINC000095550695 569727513 /nfs/dbraw/zinc/72/75/13/569727513.db2.gz QQAMHMFYWBAXPB-UHFFFAOYSA-N 0 0 498.583 4.445 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCN(C(=O)c4cccc(F)c4)CC3)c12 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O=C(c1ccccc1)N1CCN(c2nc3nonc3nc2Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000096563950 569741333 /nfs/dbraw/zinc/74/13/33/569741333.db2.gz GHJWYWDNNDTAEP-UHFFFAOYSA-N 0 0 470.320 4.026 50 0 JIAARN CN[C@@H](c1nnnn1[C@H]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)C(C)(C)C)c1ccccc1 ZINC000096602276 569742477 /nfs/dbraw/zinc/74/24/77/569742477.db2.gz JLBCMYPLTXAQDT-KCZVDYSFSA-N 0 0 466.977 4.092 50 0 JIAARN CC1CCC2(CC1)OC[C@@H](C(=O)NCc1cccnc1)N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035981524 569742574 /nfs/dbraw/zinc/74/25/74/569742574.db2.gz FNNNQFYLIRWUOW-UKAYHFCDSA-N 0 0 461.484 4.164 50 0 JIAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4O)c3[C@@H]2c2cccc(O)c2)cc1OC ZINC000096900844 569743490 /nfs/dbraw/zinc/74/34/90/569743490.db2.gz BNFLLENUFLBETF-SANMLTNESA-N 0 0 471.513 4.293 50 0 JIAARN COc1cc(-c2ncc(C(=O)N(C)Cc3ccccc3)c(N3CCCC3)n2)cc(OC)c1OC ZINC000035987864 569743542 /nfs/dbraw/zinc/74/35/42/569743542.db2.gz JMGFNKHRKQJHIB-UHFFFAOYSA-N 0 0 462.550 4.042 50 0 JIAARN COc1cc(-c2ncc(C(=O)NCc3ccccn3)c(N(C)Cc3ccccc3)n2)cc(OC)c1OC ZINC000035987921 569743560 /nfs/dbraw/zinc/74/35/60/569743560.db2.gz ZBGPWLOZJNXXJZ-UHFFFAOYSA-N 0 0 499.571 4.131 50 0 JIAARN CCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000035990244 569744089 /nfs/dbraw/zinc/74/40/89/569744089.db2.gz PLJGDEIYEMLDJZ-UHFFFAOYSA-N 0 0 460.969 4.302 50 0 JIAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)/C(=C\c1ccccc1)NC(C)=O ZINC000097653894 569745488 /nfs/dbraw/zinc/74/54/88/569745488.db2.gz AUFZAQGCKYJCOF-KGENOOAVSA-N 0 0 492.553 4.251 50 0 JIAARN O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1ccccc1OCc1ccc(F)cc1 ZINC000097674647 569745734 /nfs/dbraw/zinc/74/57/34/569745734.db2.gz PKGFMWPBXJUMQE-HYARGMPZSA-N 0 0 477.517 4.266 50 0 JIAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CC2)ccc1N1CCN(C(=O)C2CCCC2)CC1 ZINC000036001181 569745883 /nfs/dbraw/zinc/74/58/83/569745883.db2.gz UCRXMKFGXAOFPP-UHFFFAOYSA-N 0 0 488.632 4.146 50 0 JIAARN Cc1ccc(-n2ncc3c2nc(C)nc3N2CCCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000036002002 569746046 /nfs/dbraw/zinc/74/60/46/569746046.db2.gz IFMRVJGXASVRKR-UHFFFAOYSA-N 0 0 460.969 4.438 50 0 JIAARN O=C(c1cccs1)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000036002167 569746227 /nfs/dbraw/zinc/74/62/27/569746227.db2.gz IOPMNQZKMFXPTN-UHFFFAOYSA-N 0 0 464.982 4.370 50 0 JIAARN CC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000036002899 569746388 /nfs/dbraw/zinc/74/63/88/569746388.db2.gz OUNDXJTVXJBRFS-SFHVURJKSA-N 0 0 458.541 4.431 50 0 JIAARN CC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3cccc(OC)c3)CC2)n1 ZINC000036002919 569746435 /nfs/dbraw/zinc/74/64/35/569746435.db2.gz XPQFTOJCXGVBHN-IBGZPJMESA-N 0 0 470.577 4.300 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)CN(Cc2ccncc2)C(=O)c2ccc(F)cc2)c(C)n1CC ZINC000036003340 569746662 /nfs/dbraw/zinc/74/66/62/569746662.db2.gz BTPGYVUFWGBVKH-UHFFFAOYSA-N 0 0 465.525 4.361 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(CN(CC(C)C)C(=O)C3CCC3)cc2)cc1 ZINC000036008600 569747953 /nfs/dbraw/zinc/74/79/53/569747953.db2.gz VZBFCUAKLUJHBR-UHFFFAOYSA-N 0 0 458.580 4.197 50 0 JIAARN COc1cccc(-n2c(=O)c3ccccc3n([C@H](C)C(=O)NCc3cccc(C(F)(F)F)c3)c2=O)c1 ZINC000036009356 569748013 /nfs/dbraw/zinc/74/80/13/569748013.db2.gz QXQGNKHTLMPAFW-MRXNPFEDSA-N 0 0 497.473 4.057 50 0 JIAARN COCCN(CCC(=O)N1CCCC1)C(=O)c1csc(Nc2cc(Cl)ccc2Cl)n1 ZINC000036009624 569748068 /nfs/dbraw/zinc/74/80/68/569748068.db2.gz LJAKFTYBRHQVMK-UHFFFAOYSA-N 0 0 471.410 4.295 50 0 JIAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1)C(=O)C1CCC1 ZINC000036013486 569748507 /nfs/dbraw/zinc/74/85/07/569748507.db2.gz ZZXGFBLUYLHQMZ-UHFFFAOYSA-N 0 0 491.636 4.326 50 0 JIAARN CCn1c(C)c(C(=O)CN(Cc2ccco2)C(=O)c2ccc(OC)cc2)c(C)c1C(=O)OC ZINC000036018624 569749694 /nfs/dbraw/zinc/74/96/94/569749694.db2.gz TWGJAOXLEQQNRP-UHFFFAOYSA-N 0 0 452.507 4.038 50 0 JIAARN CCC(=O)Nc1ccc(N2CCCN(C(=O)c3ccco3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019239 569749745 /nfs/dbraw/zinc/74/97/45/569749745.db2.gz 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COc1ccc2c(c1)c1c(c(=O)n(CCc3ccccc3)c(=O)n1Cc1ccc(F)cc1)n2C ZINC000008591792 194460858 /nfs/dbraw/zinc/46/08/58/194460858.db2.gz KJEHDXHBHBPMIX-UHFFFAOYSA-N 0 0 457.505 4.094 50 0 JIAARN CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000008598528 194465712 /nfs/dbraw/zinc/46/57/12/194465712.db2.gz AJGMCUKPOSHYEI-UHFFFAOYSA-N 0 0 465.985 4.325 50 0 JIAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(C)cc2)c(=O)n3Cc2c(F)cccc2Cl)C1 ZINC000008604721 194468586 /nfs/dbraw/zinc/46/85/86/194468586.db2.gz BQDDATYMSRLCBZ-UHFFFAOYSA-N 0 0 497.979 4.268 50 0 JIAARN CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)C=Cc2sc3ccccc3c2Cl)cc1 ZINC000008993925 194498870 /nfs/dbraw/zinc/49/88/70/194498870.db2.gz SXIDVBPWBKPUMT-ZHACJKMWSA-N 0 0 477.991 4.086 50 0 JIAARN COc1ccc(/C=C/C(=O)N(Cc2ccc(-c3ccc(F)cc3)o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008994276 194499177 /nfs/dbraw/zinc/49/91/77/194499177.db2.gz GWZIOKHSYIVDCS-OJEWHBPZSA-N 0 0 469.534 4.323 50 0 JIAARN Cc1cc(C)cc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccc(Cl)cc2)c4=O)c1 ZINC000009009811 194503398 /nfs/dbraw/zinc/50/33/98/194503398.db2.gz IWBONUTVIVQQGS-KRWDZBQOSA-N 0 0 463.969 4.003 50 0 JIAARN COc1ccc(CC[C@]2(C)NC(=O)N(Cc3nnc(-c4ccc(Br)s4)o3)C2=O)cc1 ZINC000009051376 194511455 /nfs/dbraw/zinc/51/14/55/194511455.db2.gz ABBDSXQBFIWBKE-FQEVSTJZSA-N 0 0 491.367 4.013 50 0 JIAARN C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000009047996 194510465 /nfs/dbraw/zinc/51/04/65/194510465.db2.gz ALUJNWPIAJMVRR-NRFANRHFSA-N 0 0 478.614 4.185 50 0 JIAARN Cc1cccc(-c2nnc([C@@H](C)Sc3nnc(N4CCOCC4)n3Cc3ccccc3)o2)c1 ZINC000009051750 194511889 /nfs/dbraw/zinc/51/18/89/194511889.db2.gz KEEDIPTTZGYRKO-GOSISDBHSA-N 0 0 462.579 4.375 50 0 JIAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 ZINC000009052544 194512110 /nfs/dbraw/zinc/51/21/10/194512110.db2.gz QVCZFWRCUBNFCV-AWEZNQCLSA-N 0 0 464.012 4.041 50 0 JIAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000009120349 194545476 /nfs/dbraw/zinc/54/54/76/194545476.db2.gz JQCJCPIEJIGRLR-UHFFFAOYSA-N 0 0 497.613 4.463 50 0 JIAARN CN(C)S(=O)(=O)c1ccc(C(=O)COC(=O)c2ccccc2OCc2ccccc2Cl)cc1 ZINC000009124785 194548221 /nfs/dbraw/zinc/54/82/21/194548221.db2.gz NHBLYNNSZARYTN-UHFFFAOYSA-N 0 0 487.961 4.209 50 0 JIAARN CCN(CC)C(=O)CSc1nc(-c2cccc(OC)c2)nc2c1Cc1c(CO)cnc(C)c1O2 ZINC000009116198 194536185 /nfs/dbraw/zinc/53/61/85/194536185.db2.gz UAWFFVQWJDZMMX-UHFFFAOYSA-N 0 0 480.590 4.005 50 0 JIAARN CCCOC[C@@H]1C[C@]2(C[C@](C)(c3csc(Nc4ccccc4Cl)n3)OC2=O)C(=O)O1 ZINC000009183539 194581020 /nfs/dbraw/zinc/58/10/20/194581020.db2.gz ZCWMTUHGUHJIQN-DYXDTQHNSA-N 0 0 450.944 4.431 50 0 JIAARN NC(=O)N[C@H](CC(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(Oc2ccccc2)c1 ZINC000009128736 194557182 /nfs/dbraw/zinc/55/71/82/194557182.db2.gz PYDABTMBEQQTPV-RTUAHOQCSA-N 0 0 491.588 4.207 50 0 JIAARN C[C@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009129379 194558675 /nfs/dbraw/zinc/55/86/75/194558675.db2.gz JDAQKFBLWFDQMB-FQEVSTJZSA-N 0 0 479.602 4.489 50 0 JIAARN CC[C@@H](Sc1ncc(S(=O)(=O)c2ccccc2)c(N)n1)C(=O)Nc1c(C)cccc1C ZINC000009152075 194568444 /nfs/dbraw/zinc/56/84/44/194568444.db2.gz PPYSRDMRIVZJAT-QGZVFWFLSA-N 0 0 456.593 4.018 50 0 JIAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2Cl)cc1Br ZINC000009237754 194623447 /nfs/dbraw/zinc/62/34/47/194623447.db2.gz KTAUNBMXGLNGJZ-SJORKVTESA-N 0 0 494.802 4.409 50 0 JIAARN Cc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(Br)cc1F)S2 ZINC000009237635 194623545 /nfs/dbraw/zinc/62/35/45/194623545.db2.gz PLUBASWJXWBCJQ-HOTGVXAUSA-N 0 0 466.311 4.025 50 0 JIAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1Br ZINC000009237771 194623742 /nfs/dbraw/zinc/62/37/42/194623742.db2.gz MYFVVCUTTYLISZ-MOPGFXCFSA-N 0 0 488.411 4.372 50 0 JIAARN O=C(COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC(=O)Nc1ccccc1F 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/nfs/dbraw/zinc/63/98/20/194639820.db2.gz URTTXTSUVCJGBD-UHFFFAOYSA-N 0 0 492.582 4.336 50 0 JIAARN CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccccc2C)cc1 ZINC000009284970 194661087 /nfs/dbraw/zinc/66/10/87/194661087.db2.gz UQHDXTMWAZRRBA-UHFFFAOYSA-N 0 0 496.585 4.459 50 0 JIAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)CC2)c(Cl)c1 ZINC000009265948 194648614 /nfs/dbraw/zinc/64/86/14/194648614.db2.gz RTWNBHAWVXKYCX-CQSZACIVSA-N 0 0 494.038 4.121 50 0 JIAARN O=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)CC1 ZINC000009268538 194649885 /nfs/dbraw/zinc/64/98/85/194649885.db2.gz CZFYQORCTHMHJA-UHFFFAOYSA-N 0 0 457.640 4.286 50 0 JIAARN CCOc1cc(-c2nnc(NC(=O)c3cc(OC)cc(OC)c3)o2)cc(OCC)c1OCC ZINC000009274758 194652535 /nfs/dbraw/zinc/65/25/35/194652535.db2.gz KUUBYRKBXWEELU-UHFFFAOYSA-N 0 0 457.483 4.202 50 0 JIAARN Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)o2)c(C)c1 ZINC000009275050 194652767 /nfs/dbraw/zinc/65/27/67/194652767.db2.gz RFBWJEFZJWZLIY-MRXNPFEDSA-N 0 0 454.552 4.026 50 0 JIAARN CCOc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2Cc2ccccc2Cl)cc1Cl ZINC000009282313 194655605 /nfs/dbraw/zinc/65/56/05/194655605.db2.gz HHVXXCWCVZJXBO-UHFFFAOYSA-N 0 0 498.370 4.107 50 0 JIAARN CN(C)C(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 ZINC000009284225 194659345 /nfs/dbraw/zinc/65/93/45/194659345.db2.gz XLQDLACURGYKEV-UHFFFAOYSA-N 0 0 461.547 4.019 50 0 JIAARN CCCCn1c(SCC(=O)Nc2ccccc2C(=O)NC2CC2)nnc1-c1ccc(OC)cc1 ZINC000009284400 194659805 /nfs/dbraw/zinc/65/98/05/194659805.db2.gz JSJBCNHZRWSRGG-UHFFFAOYSA-N 0 0 479.606 4.377 50 0 JIAARN COc1ccc(OC)c(-c2csc(NC(=O)CN(C)S(=O)(=O)c3ccc4ccccc4c3)n2)c1 ZINC000009252827 194636289 /nfs/dbraw/zinc/63/62/89/194636289.db2.gz LYJXVSSSOFKZFN-UHFFFAOYSA-N 0 0 497.598 4.240 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(SC)C(c2ccc(Cl)cc2)=N3)cc1OC ZINC000009300174 194673063 /nfs/dbraw/zinc/67/30/63/194673063.db2.gz KQHJVSVGVRJEKX-UHFFFAOYSA-N 0 0 494.038 4.102 50 0 JIAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)c3cc(C)n(C4CC4)c3C)C2=O)cc1 ZINC000009316808 194688215 /nfs/dbraw/zinc/68/82/15/194688215.db2.gz XOVQVSRHANHSBW-UHFFFAOYSA-N 0 0 487.556 4.135 50 0 JIAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000009287951 194662950 /nfs/dbraw/zinc/66/29/50/194662950.db2.gz IWYNOEMVISANGS-HSZRJFAPSA-N 0 0 477.492 4.209 50 0 JIAARN CC(C)Oc1ccc(C(=O)N(Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009291750 194667361 /nfs/dbraw/zinc/66/73/61/194667361.db2.gz JUDRDPJXPIHJSS-IBGZPJMESA-N 0 0 466.397 4.066 50 0 JIAARN O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)N1C1CC1)Nc1ccccc1N1CCCC1 ZINC000009338609 194699767 /nfs/dbraw/zinc/69/97/67/194699767.db2.gz XGFUCUWSSDQPFV-CLCOLTQESA-N 0 0 458.591 4.382 50 0 JIAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@@H](C)C(=O)Nc2ccccc2)cc1 ZINC000009341542 194701767 /nfs/dbraw/zinc/70/17/67/194701767.db2.gz DULLDUGQRBZRAU-HFJWLAOPSA-N 0 0 489.572 4.397 50 0 biogenic JIAARN 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C[C@H]1CN(C(=O)CSc2ncnc3cc(-c4ccc(Br)cc4)sc32)CCO1 ZINC000012740713 195100833 /nfs/dbraw/zinc/10/08/33/195100833.db2.gz ACNXQKJEJQXAHY-LBPRGKRZSA-N 0 0 464.410 4.460 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)c2)C[C@H](C)O1 ZINC000012742039 195101122 /nfs/dbraw/zinc/10/11/22/195101122.db2.gz GQZPSTNGQPJHEQ-PBDKAQRYSA-N 0 0 490.625 4.272 50 0 JIAARN CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012741360 195101173 /nfs/dbraw/zinc/10/11/73/195101173.db2.gz WPRKLMXFIOUXES-UHFFFAOYSA-N 0 0 450.579 4.180 50 0 JIAARN NC(=O)[C@H]1CC(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)=NN1c1ccc(F)cc1 ZINC000012739349 195100552 /nfs/dbraw/zinc/10/05/52/195100552.db2.gz BIDVEASTSCXPNF-CYBMUJFWSA-N 0 0 484.365 4.376 50 0 JIAARN Cc1ccc(-n2c(-c3ccccc3)cnc2S[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000012743815 195101852 /nfs/dbraw/zinc/10/18/52/195101852.db2.gz ZTFFUOVGXIKAIQ-FPOVZHCZSA-N 0 0 483.659 4.282 50 0 JIAARN 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/nfs/dbraw/zinc/11/42/84/195114284.db2.gz XGSKQVKUKFTPSS-IBGZPJMESA-N 0 0 472.010 4.370 50 0 JIAARN O=C(CNc1cc2c(cc1Cl)OCCCO2)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012767224 195114540 /nfs/dbraw/zinc/11/45/40/195114540.db2.gz WPENGDJNEJRSTC-UHFFFAOYSA-N 0 0 494.013 4.117 50 0 JIAARN Cc1ccc(NC(=O)CN(C)C(=O)CNc2cccc(C(=O)N3CCc4sccc4C3)c2C)cc1 ZINC000012767506 195114827 /nfs/dbraw/zinc/11/48/27/195114827.db2.gz OFYHTORDUJSBKW-UHFFFAOYSA-N 0 0 490.629 4.072 50 0 JIAARN Cc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccccc3O)CC2)c(Br)c1 ZINC000012767978 195115379 /nfs/dbraw/zinc/11/53/79/195115379.db2.gz CVXWKSMDHIBJQB-OAHLLOKOSA-N 0 0 460.372 4.141 50 0 JIAARN CSc1ccc(C(=O)CCC(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000012768200 195115720 /nfs/dbraw/zinc/11/57/20/195115720.db2.gz PQWZFNYBAKXWQE-UHFFFAOYSA-N 0 0 464.591 4.074 50 0 JIAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nn3cnc4scc(-c5cccs5)c4c3=O)c12 ZINC000012768450 195115994 /nfs/dbraw/zinc/11/59/94/195115994.db2.gz PQASBDBGLANPHU-UHFFFAOYSA-N 0 0 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CCc1ccccc1Nc1nnc(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000012776899 195121795 /nfs/dbraw/zinc/12/17/95/195121795.db2.gz XIDYEVJAKCAGOO-UHFFFAOYSA-N 0 0 476.649 4.157 50 0 JIAARN Cc1cc(/C=C/C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c(C)n1-c1ccnn1C(C)C ZINC000012776887 195121694 /nfs/dbraw/zinc/12/16/94/195121694.db2.gz NENRWHRQOZQJLM-VSFTXHECSA-N 0 0 461.610 4.074 50 0 JIAARN CCN1CCN(C(=O)[C@@H](C)Sc2nc3scc(-c4ccco4)c3c(=O)n2-c2ccccc2)CC1 ZINC000012779382 195123352 /nfs/dbraw/zinc/12/33/52/195123352.db2.gz VCUSVUXPMPOZKC-QGZVFWFLSA-N 0 0 494.642 4.352 50 0 JIAARN CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C ZINC000012784307 195126397 /nfs/dbraw/zinc/12/63/97/195126397.db2.gz VYLRPMSJIUTRDK-KRWDZBQOSA-N 0 0 491.727 4.160 50 0 JIAARN C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000012784582 195126701 /nfs/dbraw/zinc/12/67/01/195126701.db2.gz NDSREFWMIJZIRU-CQSZACIVSA-N 0 0 472.554 4.314 50 0 JIAARN O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012784783 195127088 /nfs/dbraw/zinc/12/70/88/195127088.db2.gz LUVVGMGPKTWXFM-UHFFFAOYSA-N 0 0 482.414 4.264 50 0 JIAARN COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C ZINC000012787637 195129204 /nfs/dbraw/zinc/12/92/04/195129204.db2.gz XYESVSFYNILUHS-UHFFFAOYSA-N 0 0 481.983 4.140 50 0 JIAARN Cc1nn(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000012788709 195130142 /nfs/dbraw/zinc/13/01/42/195130142.db2.gz GSSAQYWNWQUNRY-UHFFFAOYSA-N 0 0 492.951 4.231 50 0 JIAARN CCCCn1c(CCC(=O)N[C@@H](CCC)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000012791454 195132204 /nfs/dbraw/zinc/13/22/04/195132204.db2.gz WENYQPZTHDXPLK-FQEVSTJZSA-N 0 0 467.614 4.077 50 0 JIAARN CCOC(=O)c1ccsc1NC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000012793146 195133706 /nfs/dbraw/zinc/13/37/06/195133706.db2.gz RTQCFQSFCVTMOM-UHFFFAOYSA-N 0 0 453.545 4.310 50 0 JIAARN CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000012793742 195134184 /nfs/dbraw/zinc/13/41/84/195134184.db2.gz SMPDPSMMCCQUSR-UHFFFAOYSA-N 0 0 463.353 4.454 50 0 JIAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000012794060 195134302 /nfs/dbraw/zinc/13/43/02/195134302.db2.gz XKESQAOAZANBIT-UHFFFAOYSA-N 0 0 458.440 4.031 50 0 JIAARN COc1ccc(-c2csc3nc(C)nc(Sc4nnc(CN5CCCC5=O)o4)c23)cc1OC ZINC000012794288 195134443 /nfs/dbraw/zinc/13/44/43/195134443.db2.gz WBAPJVWILDHWMW-UHFFFAOYSA-N 0 0 483.575 4.341 50 0 JIAARN COc1ccc(-c2noc(CCCCCNC(=O)[C@H]3CCCN3c3ncnc4ccccc43)n2)cc1 ZINC000012795026 195135182 /nfs/dbraw/zinc/13/51/82/195135182.db2.gz FUJLQULAAREPFN-HSZRJFAPSA-N 0 0 486.576 4.186 50 0 JIAARN O=C(CSc1nnnn1C[C@@H]1CCCO1)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000012795762 195135690 /nfs/dbraw/zinc/13/56/90/195135690.db2.gz ZMBGOGUHHAOPPI-LFCNWEHWSA-N 0 0 485.629 4.081 50 0 JIAARN O=C(CSc1nnnn1C[C@H]1CCCO1)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000012795766 195135765 /nfs/dbraw/zinc/13/57/65/195135765.db2.gz ZMBGOGUHHAOPPI-HUUFRCNWSA-N 0 0 485.629 4.081 50 0 JIAARN Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000012798170 195137624 /nfs/dbraw/zinc/13/76/24/195137624.db2.gz NZIPYYPFJIJHOZ-SJORKVTESA-N 0 0 465.413 4.036 50 0 JIAARN CC(C)NC(=O)c1cccc2c1CCCN2S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000012797448 195136897 /nfs/dbraw/zinc/13/68/97/195136897.db2.gz VXWNEHVCMFTCPW-UHFFFAOYSA-N 0 0 473.339 4.007 50 0 JIAARN C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000012797675 195137241 /nfs/dbraw/zinc/13/72/41/195137241.db2.gz OXLDPHFMPOIGFT-JTQLQIEISA-N 0 0 478.983 4.070 50 0 JIAARN CC(C)(C)c1cc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000012798699 195138191 /nfs/dbraw/zinc/13/81/91/195138191.db2.gz ITVRENANYDMSCO-ZKKXHLJNSA-N 0 0 456.395 4.499 50 0 JIAARN O=C(Nc1ccnn1Cc1ccccc1Br)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000012798994 195138341 /nfs/dbraw/zinc/13/83/41/195138341.db2.gz SSMVPTMVRAOMJT-SFHVURJKSA-N 0 0 485.357 4.324 50 0 JIAARN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@H](C)CCc1ccccc1 ZINC000012802554 195139972 /nfs/dbraw/zinc/13/99/72/195139972.db2.gz YFSKZYSDIPBTFC-OXQOHEQNSA-N 0 0 463.441 4.438 50 0 JIAARN CCOC(=O)C1CCN(C(=O)CSc2nnc(Nc3cccc(Cl)c3C)s2)CC1 ZINC000012805349 195141196 /nfs/dbraw/zinc/14/11/96/195141196.db2.gz LIWSQSIBOCWQRR-UHFFFAOYSA-N 0 0 455.005 4.137 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(SCc1ccccc1OC(F)F)n(C[C@H]1CCCO1)c2=O ZINC000012806547 195142000 /nfs/dbraw/zinc/14/20/00/195142000.db2.gz ZIXBGMTVTHXTHS-MRXNPFEDSA-N 0 0 476.501 4.256 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(SCc1ccccc1OC(F)F)n(C[C@@H]1CCCO1)c2=O ZINC000012806544 195142011 /nfs/dbraw/zinc/14/20/11/195142011.db2.gz ZIXBGMTVTHXTHS-INIZCTEOSA-N 0 0 476.501 4.256 50 0 JIAARN O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012812924 195145243 /nfs/dbraw/zinc/14/52/43/195145243.db2.gz JSPXPGNUUMVUIP-FPYGCLRLSA-N 0 0 462.424 4.204 50 0 JIAARN COCCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCC(=O)N(C)Cc1ccco1 ZINC000012816256 195147062 /nfs/dbraw/zinc/14/70/62/195147062.db2.gz GEMNDKUGUKGTHY-UHFFFAOYSA-N 0 0 487.578 4.254 50 0 JIAARN COc1cccc(-n2c(=O)c3c(nc2SCC(=O)N(C)Cc2ccco2)sc2c3CCC2)c1 ZINC000012816263 195147112 /nfs/dbraw/zinc/14/71/12/195147112.db2.gz TYGKVVORRCMMIG-UHFFFAOYSA-N 0 0 481.599 4.288 50 0 JIAARN Cc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)NCc3ccccc3)CC2)c(Br)c1 ZINC000012816688 195147309 /nfs/dbraw/zinc/14/73/09/195147309.db2.gz QHQALZNYJXAGCC-KRWDZBQOSA-N 0 0 458.400 4.113 50 0 JIAARN COc1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)c(OC)cc1NC(=O)c1ccccc1 ZINC000012818779 195148292 /nfs/dbraw/zinc/14/82/92/195148292.db2.gz RDGQTEQFTDRVJV-UHFFFAOYSA-N 0 0 459.502 4.335 50 0 JIAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1ccc2ccccc2c1 ZINC000012822208 195149820 /nfs/dbraw/zinc/14/98/20/195149820.db2.gz UBKIBWBJMHNASO-MRXNPFEDSA-N 0 0 458.530 4.396 50 0 JIAARN COc1ccccc1[C@@H](C)NC(=O)CN(c1ccccc1OC)S(=O)(=O)/C=C/c1ccccc1 ZINC000012825514 195151069 /nfs/dbraw/zinc/15/10/69/195151069.db2.gz PXQRLONQSRWXQM-CECJQHFESA-N 0 0 480.586 4.388 50 0 JIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)C1 ZINC000012846159 195152371 /nfs/dbraw/zinc/15/23/71/195152371.db2.gz AEGNDEUHODBNDH-NRFANRHFSA-N 0 0 454.530 4.479 50 0 JIAARN COc1ccccc1NC(=O)COc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1OC ZINC000012847320 195152752 /nfs/dbraw/zinc/15/27/52/195152752.db2.gz WZKRHTWEPFQELZ-UHFFFAOYSA-N 0 0 460.530 4.183 50 0 JIAARN CCOC(=O)Cc1nnc(SCC(=O)Nc2cc(C(C)(C)C)ccc2OC)n1Cc1ccccc1 ZINC000012848988 195153676 /nfs/dbraw/zinc/15/36/76/195153676.db2.gz XVSUCAXEEUSTSL-UHFFFAOYSA-N 0 0 496.633 4.469 50 0 JIAARN CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCCc1ccc(Br)s1 ZINC000012868631 195162727 /nfs/dbraw/zinc/16/27/27/195162727.db2.gz MFIWZJZFORYPCC-MRXNPFEDSA-N 0 0 488.245 4.386 50 0 JIAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000012870649 195163284 /nfs/dbraw/zinc/16/32/84/195163284.db2.gz ISSRXLYHJKAISM-YFMCZXFPSA-N 0 0 454.592 4.190 50 0 biogenic JIAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)N[C@H](C)CCc3ccccc3)C(C)(C)S[C@@H]21 ZINC000012870644 195163394 /nfs/dbraw/zinc/16/33/94/195163394.db2.gz ISSRXLYHJKAISM-FVFQAYNVSA-N 0 0 454.592 4.190 50 0 biogenic JIAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(Br)cc1 ZINC000012871819 195163935 /nfs/dbraw/zinc/16/39/35/195163935.db2.gz RQGCDSSOQMUHRH-UHFFFAOYSA-N 0 0 451.386 4.195 50 0 JIAARN COc1cc([C@H]2CN3C(=O)CN(C4CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C ZINC000012874654 195165449 /nfs/dbraw/zinc/16/54/49/195165449.db2.gz CFSWMBRBLQDITE-NGOKVRLYSA-N 0 0 473.573 4.158 50 0 biogenic JIAARN CC(C)[C@@H](C(=O)NCCc1ccc(Cl)cc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012875795 195166104 /nfs/dbraw/zinc/16/61/04/195166104.db2.gz DEGRHCBWLSVNHB-CUNXSJBXSA-N 0 0 493.007 4.240 50 0 biogenic JIAARN CCOC(=O)/C=C/c1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012877908 195167139 /nfs/dbraw/zinc/16/71/39/195167139.db2.gz WQAULOIROCIWQI-RFJQLNFBSA-N 0 0 450.579 4.409 50 0 JIAARN O=S(=O)(c1cccc(F)c1)N1CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000012881319 195168735 /nfs/dbraw/zinc/16/87/35/195168735.db2.gz RMNOFBYHTGWZQQ-UHFFFAOYSA-N 0 0 472.542 4.147 50 0 JIAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000012883334 195169747 /nfs/dbraw/zinc/16/97/47/195169747.db2.gz JESCMELLPZCMNK-OKILXGFUSA-N 0 0 481.412 4.402 50 0 JIAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1 ZINC000012890528 195172514 /nfs/dbraw/zinc/17/25/14/195172514.db2.gz DYZMVIXJUGTUNI-QHCPKHFHSA-N 0 0 451.954 4.177 50 0 JIAARN COc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CCCN(C(=O)c4cccs4)C3)cc2)cc1 ZINC000012891495 195173039 /nfs/dbraw/zinc/17/30/39/195173039.db2.gz IJNSLUJBLDJTCG-SFHVURJKSA-N 0 0 463.559 4.500 50 0 JIAARN CCOc1cc2c(cc1CSCCC(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)O[C@@H](C)C2 ZINC000012892758 195173973 /nfs/dbraw/zinc/17/39/73/195173973.db2.gz UWAJQTIUTYQSAY-KRWDZBQOSA-N 0 0 481.618 4.469 50 0 JIAARN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012892654 195173996 /nfs/dbraw/zinc/17/39/96/195173996.db2.gz MNDVQNBXHNRWIB-OAQYLSRUSA-N 0 0 468.953 4.286 50 0 JIAARN COc1ccc(-c2nc3c4ccccc4n(C[C@H](O)COc4ccc5ccccc5c4)c(=O)n3n2)cc1 ZINC000012862444 195160005 /nfs/dbraw/zinc/16/00/05/195160005.db2.gz VYHVRVQPZRADGJ-QFIPXVFZSA-N 0 0 492.535 4.313 50 0 JIAARN CC(=O)c1ccc(NC(=O)CCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000012862905 195160103 /nfs/dbraw/zinc/16/01/03/195160103.db2.gz NHYVFJDTUWOCIW-UHFFFAOYSA-N 0 0 454.880 4.107 50 0 JIAARN CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C ZINC000012863130 195160334 /nfs/dbraw/zinc/16/03/34/195160334.db2.gz SAWKXMKCWRGGON-UHFFFAOYSA-N 0 0 450.582 4.050 50 0 JIAARN Cc1ccc(-c2nc(CC(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cs2)cc1 ZINC000012904543 195178732 /nfs/dbraw/zinc/17/87/32/195178732.db2.gz HUKLMINSPDRGAT-UHFFFAOYSA-N 0 0 467.572 4.371 50 0 JIAARN COC(=O)c1ccoc1CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012904779 195179121 /nfs/dbraw/zinc/17/91/21/195179121.db2.gz NTMACPHUNHUTLV-UHFFFAOYSA-N 0 0 453.438 4.476 50 0 JIAARN Cc1cc(C(F)(F)F)nn1C[C@H](C)CNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000020617055 195188754 /nfs/dbraw/zinc/18/87/54/195188754.db2.gz OYDYYBGVGGZBRV-MRVPVSSYSA-N 0 0 453.412 4.243 50 0 JIAARN Cc1c(=O)c2cccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2oc1-c1ccccc1 ZINC000020621861 195190185 /nfs/dbraw/zinc/19/01/85/195190185.db2.gz SMPOIACLPDSGRK-UHFFFAOYSA-N 0 0 482.536 4.455 50 0 JIAARN CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 ZINC000020631004 195191105 /nfs/dbraw/zinc/19/11/05/195191105.db2.gz CJMCIRWGRZWKFI-UHFFFAOYSA-N 0 0 451.548 4.188 50 0 JIAARN O=C(CSc1nc2c3ccccc3sc2c(=O)n1CCCN1CCOCC1)c1ccccc1 ZINC000020640987 195192955 /nfs/dbraw/zinc/19/29/55/195192955.db2.gz DKELJORGKDLAJX-UHFFFAOYSA-N 0 0 479.627 4.309 50 0 JIAARN CCc1ccc(NC(=O)Cc2nc(-c3ccc4c(c3)CCCN4S(C)(=O)=O)cs2)cc1 ZINC000020673188 195199101 /nfs/dbraw/zinc/19/91/01/195199101.db2.gz GUGUFMOWYZPGRI-UHFFFAOYSA-N 0 0 455.605 4.266 50 0 JIAARN O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000020677391 195202323 /nfs/dbraw/zinc/20/23/23/195202323.db2.gz JKCBFXCAHZJQSC-SANMLTNESA-N 0 0 456.546 4.085 50 0 JIAARN CCCCN(CCCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1)c1ccccc1 ZINC000020682534 195204334 /nfs/dbraw/zinc/20/43/34/195204334.db2.gz VVBIXXXRFWULTP-SANMLTNESA-N 0 0 473.621 4.217 50 0 JIAARN CCc1nn2c(ncc3c2ccn(-c2cc(OC)c(OC)c(OC)c2)c3=O)c1-c1ccc(OC)cc1 ZINC000020721711 195206738 /nfs/dbraw/zinc/20/67/38/195206738.db2.gz HAJIIOMCHDFEOB-UHFFFAOYSA-N 0 0 486.528 4.297 50 0 JIAARN Cc1ccc(C(=O)N/C(=C/C=C/c2ccccc2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000020663046 195196753 /nfs/dbraw/zinc/19/67/53/195196753.db2.gz IOLHDJFNCWPGKY-ASCQBJQPSA-N 0 0 479.580 4.130 50 0 biogenic JIAARN Cc1ccc(C(=O)N/C(=C\c2ccccc2F)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1C ZINC000020663028 195196811 /nfs/dbraw/zinc/19/68/11/195196811.db2.gz BQAAZVVBVBMJCY-MUXHWLCXSA-N 0 0 485.559 4.021 50 0 biogenic JIAARN COc1ccc(CN2C(=O)[C@](NC(=O)c3ccccc3OC)(C(F)(F)F)N=C2c2ccccc2)cc1 ZINC000020808311 195228825 /nfs/dbraw/zinc/22/88/25/195228825.db2.gz PFNNPVAAVFTCCM-VWLOTQADSA-N 0 0 497.473 4.181 50 0 JIAARN Cc1ccc(N2C(=O)N(Cc3ccc(Br)cc3F)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000020848760 195230559 /nfs/dbraw/zinc/23/05/59/195230559.db2.gz NBYDLNQFDODJMA-MSOLQXFVSA-N 0 0 487.778 4.158 50 0 JIAARN COc1cc(CCC(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)cc(=O)c3c2)on1 ZINC000020745585 195215105 /nfs/dbraw/zinc/21/51/05/195215105.db2.gz FZQUURFEMQALEF-UHFFFAOYSA-N 0 0 450.447 4.045 50 0 JIAARN Cc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)c(C)c1 ZINC000020749894 195215449 /nfs/dbraw/zinc/21/54/49/195215449.db2.gz UOQGHSVPVBASSB-LJQANCHMSA-N 0 0 478.570 4.239 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)N2CCN(Cc3ccccc3)CC2)c1C ZINC000020760611 195217582 /nfs/dbraw/zinc/21/75/82/195217582.db2.gz IPNWEBXXBZOWCY-UHFFFAOYSA-N 0 0 489.616 4.383 50 0 JIAARN O=C(CCCNC(=O)c1ccco1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020917566 195246864 /nfs/dbraw/zinc/24/68/64/195246864.db2.gz XRXMREJAMYZDJS-UHFFFAOYSA-N 0 0 467.516 4.002 50 0 JIAARN CC(=O)Nc1cc2nc(C)n(Cc3ccccc3)c2c(C(=O)N2CCN(Cc3ncccc3C)CC2)c1 ZINC000020918387 195247114 /nfs/dbraw/zinc/24/71/14/195247114.db2.gz CBRGKZPKYUHZTH-UHFFFAOYSA-N 0 0 496.615 4.013 50 0 JIAARN COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000020919749 195247339 /nfs/dbraw/zinc/24/73/39/195247339.db2.gz YURDDPZJSGRWQS-UHFFFAOYSA-N 0 0 488.009 4.244 50 0 JIAARN Clc1ccc(OCc2nc3c4cnn(-c5cccc(Br)c5)c4ncn3n2)cc1 ZINC000020867739 195234695 /nfs/dbraw/zinc/23/46/95/195234695.db2.gz IUECIMKSJTYLKJ-UHFFFAOYSA-N 0 0 455.703 4.458 50 0 JIAARN O=C(NCc1ccccc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 ZINC000020889319 195236813 /nfs/dbraw/zinc/23/68/13/195236813.db2.gz XHGNTBXZWVZPRP-UHFFFAOYSA-N 0 0 471.376 4.131 50 0 JIAARN CC[C@H](C(=O)NCc1ccccc1C)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937841 195254030 /nfs/dbraw/zinc/25/40/30/195254030.db2.gz SXZCHFRUBYIRPU-HSZRJFAPSA-N 0 0 453.608 4.392 50 0 JIAARN COc1cccc(NC(=O)Cn2c3cc4c(cc3cc(CNc3ccccc3)c2=O)OCCO4)c1 ZINC000020940116 195254845 /nfs/dbraw/zinc/25/48/45/195254845.db2.gz SGIVGDBPZILJRF-UHFFFAOYSA-N 0 0 471.513 4.032 50 0 JIAARN COCCn1c(SCC(=O)c2cc(C)ccc2C)nc2cc(C(=O)NCC(C)C)ccc2c1=O ZINC000020945882 195256598 /nfs/dbraw/zinc/25/65/98/195256598.db2.gz MADDUXGDWQSSIQ-UHFFFAOYSA-N 0 0 481.618 4.021 50 0 JIAARN Cc1ccc(C)c(C(=O)CSc2nc3cc(C(=O)NC(C)C)ccc3c(=O)n2C[C@@H]2CCCO2)c1 ZINC000020945916 195256678 /nfs/dbraw/zinc/25/66/78/195256678.db2.gz IEOHKPHLNICXSR-FQEVSTJZSA-N 0 0 493.629 4.306 50 0 JIAARN Cc1nn(-c2ccc(Br)cc2)cc1-c1noc(C(=O)NCc2ccc(C)cc2)n1 ZINC000020946661 195257043 /nfs/dbraw/zinc/25/70/43/195257043.db2.gz IVFPQLJVBBHJPN-UHFFFAOYSA-N 0 0 452.312 4.232 50 0 JIAARN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)N4CCC(Cc5ccccc5)CC4)C3)n2)cc1 ZINC000020923959 195248995 /nfs/dbraw/zinc/24/89/95/195248995.db2.gz AANSWWOUIFGAKY-HSZRJFAPSA-N 0 0 460.578 4.443 50 0 JIAARN COc1ccc(NC(=O)Cn2nc3c4ccccc4n(Cc4cccc(F)c4)cc-3c2=O)cc1OC ZINC000020936958 195253117 /nfs/dbraw/zinc/25/31/17/195253117.db2.gz SLEDAQKGCMLKKV-UHFFFAOYSA-N 0 0 486.503 4.146 50 0 JIAARN Cc1cccc(Cn2cc3c(=O)n(CC(=O)NCc4ccccc4)nc-3c3cc(F)ccc32)c1 ZINC000020937147 195253372 /nfs/dbraw/zinc/25/33/72/195253372.db2.gz SYAWRJKNMBGBQD-UHFFFAOYSA-N 0 0 454.505 4.115 50 0 JIAARN CC(C)(C)c1ccc(OCCSc2nc(-c3ccc4c(c3)OCO4)nc3cc(=O)[nH]n32)cc1 ZINC000020987065 195260798 /nfs/dbraw/zinc/26/07/98/195260798.db2.gz ZLCIPCXWRMBCRG-UHFFFAOYSA-N 0 0 464.547 4.282 50 0 JIAARN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3cccs3)C2)cc1 ZINC000020995306 195264030 /nfs/dbraw/zinc/26/40/30/195264030.db2.gz VJXUXSPRGTWAOY-FLVLSHQESA-N 0 0 487.603 4.263 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3ccc(C)c(NC(=O)C4=CSCCO4)c3)C[C@H]2C)c1 ZINC000021019610 195267311 /nfs/dbraw/zinc/26/73/11/195267311.db2.gz FAWOLBMXBUXIAJ-LJQANCHMSA-N 0 0 451.592 4.198 50 0 JIAARN Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1NC(=O)C1=CSCCO1 ZINC000021019561 195267316 /nfs/dbraw/zinc/26/73/16/195267316.db2.gz OVNVKTAPJUCTML-UHFFFAOYSA-N 0 0 457.983 4.154 50 0 JIAARN COc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2ccc(Br)cc2)C3)CC1 ZINC000021039712 195270665 /nfs/dbraw/zinc/27/06/65/195270665.db2.gz AZQWMZIWBOTBNA-UHFFFAOYSA-N 0 0 494.437 4.133 50 0 JIAARN COc1ccc(S(=O)(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc1 ZINC000021038229 195270272 /nfs/dbraw/zinc/27/02/72/195270272.db2.gz ZIVGJEJQNBOFEE-FQEVSTJZSA-N 0 0 455.923 4.467 50 0 JIAARN COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)CC1 ZINC000021090407 195274384 /nfs/dbraw/zinc/27/43/84/195274384.db2.gz GNMCNIIHUUKJRK-VAWYXSNFSA-N 0 0 499.564 4.341 50 0 JIAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C)n2)CC1 ZINC000021090327 195274390 /nfs/dbraw/zinc/27/43/90/195274390.db2.gz GDNPZCKEHYUXGV-VAWYXSNFSA-N 0 0 480.590 4.205 50 0 JIAARN Cc1ccc2nc(CSc3nnc(NC(=O)c4ccccc4Br)s3)cc(=O)n2c1 ZINC000021099359 195276007 /nfs/dbraw/zinc/27/60/07/195276007.db2.gz XBPHRXZFISMLKS-UHFFFAOYSA-N 0 0 488.392 4.162 50 0 JIAARN COC(=O)c1ccccc1NC(=O)Nc1cccc(OCc2cc(=O)n3ccc(C)cc3n2)c1 ZINC000021100190 195276284 /nfs/dbraw/zinc/27/62/84/195276284.db2.gz IPRIRZOUZOTSNE-UHFFFAOYSA-N 0 0 458.474 4.013 50 0 JIAARN CCOC(=O)Cc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1 ZINC000021100252 195276358 /nfs/dbraw/zinc/27/63/58/195276358.db2.gz QUDDHLAADVIMKJ-UHFFFAOYSA-N 0 0 486.528 4.332 50 0 JIAARN COC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc4c(c3)CN(Cc3ccccc3)C4)cc2)c1N ZINC000021115685 195278478 /nfs/dbraw/zinc/27/84/78/195278478.db2.gz QWQKMFCFITXICF-UHFFFAOYSA-N 0 0 467.529 4.009 50 0 JIAARN COc1cccc(-c2nc3sc4c(c3c(=O)n2CC(=O)NCc2ccccc2)CCCC4)c1 ZINC000021118087 195279290 /nfs/dbraw/zinc/27/92/90/195279290.db2.gz BEJHVDHZMPVMSE-UHFFFAOYSA-N 0 0 459.571 4.329 50 0 JIAARN COc1ccc(C(=O)c2cn(CC(=O)Nc3c(C)cccc3C)c3nc(C)ccc3c2=O)cc1 ZINC000021151393 195282764 /nfs/dbraw/zinc/28/27/64/195282764.db2.gz SIGZNUGIPBAXEU-UHFFFAOYSA-N 0 0 455.514 4.200 50 0 JIAARN COc1ccccc1C(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2)c2nc(C)ccc2c1=O ZINC000021151556 195283004 /nfs/dbraw/zinc/28/30/04/195283004.db2.gz ROCFWYRSVBNKLQ-UHFFFAOYSA-N 0 0 461.905 4.237 50 0 JIAARN CCc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3OC)c(=O)c3ccc(C)nc32)cc1 ZINC000021151537 195283051 /nfs/dbraw/zinc/28/30/51/195283051.db2.gz WZZPSINRGPVNLE-UHFFFAOYSA-N 0 0 455.514 4.146 50 0 JIAARN COc1ccc(NC(=O)CCCN2C(=O)COc3ccc(C)cc32)cc1NC(=O)c1ccccc1 ZINC000021152965 195283931 /nfs/dbraw/zinc/28/39/31/195283931.db2.gz PEBMCSBDHVMZHP-UHFFFAOYSA-N 0 0 473.529 4.400 50 0 JIAARN COc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)c(OC)c1 ZINC000021156903 195285376 /nfs/dbraw/zinc/28/53/76/195285376.db2.gz OYMKFMLCPMJUCF-UHFFFAOYSA-N 0 0 460.490 4.243 50 0 JIAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCCC1)N(c1ccc(C)c(F)c1)C2=O ZINC000021161755 195287396 /nfs/dbraw/zinc/28/73/96/195287396.db2.gz VPNAVCHWHTZNEY-AREMUKBSSA-N 0 0 484.572 4.156 50 0 JIAARN CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N(Cc2ccc(C(=O)N3CCCCCC3)cc2)C1=O ZINC000021163111 195288419 /nfs/dbraw/zinc/28/84/19/195288419.db2.gz SCINBHNWRKVLNB-UHFFFAOYSA-N 0 0 466.603 4.423 50 0 JIAARN NC(=O)N[C@@H](CC(=O)OCc1nnc(-c2ccccc2)o1)c1cccc(Oc2ccccc2)c1 ZINC000021168232 195289156 /nfs/dbraw/zinc/28/91/56/195289156.db2.gz LAXSWPBKJDEHGQ-NRFANRHFSA-N 0 0 458.474 4.372 50 0 JIAARN CCN(CC)C(=O)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000021276734 195293057 /nfs/dbraw/zinc/29/30/57/195293057.db2.gz OZTCZGDXMVFLPU-UHFFFAOYSA-N 0 0 460.563 4.028 50 0 JIAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)c1nc2ccccc2c(=O)[nH]1 ZINC000021284388 195293281 /nfs/dbraw/zinc/29/32/81/195293281.db2.gz PJHFMSYBLZFNCY-OAHLLOKOSA-N 0 0 497.960 4.320 50 0 JIAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCC(=O)c1ccc(OC(F)F)cc1OC(F)F ZINC000021326410 195294391 /nfs/dbraw/zinc/29/43/91/195294391.db2.gz HZXKTXHMVFQZQQ-UHFFFAOYSA-N 0 0 496.413 4.032 50 0 JIAARN COc1cc(C(=O)Nc2nnc(SCc3nnc(-c4ccccc4C)o3)s2)cc(OC)c1OC ZINC000021359197 195298650 /nfs/dbraw/zinc/29/86/50/195298650.db2.gz MXUPKZGPGDGIKB-UHFFFAOYSA-N 0 0 499.574 4.467 50 0 JIAARN COc1ccc(CNc2nc(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)c3ccccc23)cc1 ZINC000021361229 195298911 /nfs/dbraw/zinc/29/89/11/195298911.db2.gz BETBSGQGFCWRNG-UHFFFAOYSA-N 0 0 466.900 4.448 50 0 JIAARN COc1cccc(-n2cc(C(=O)OCc3ccc(N4CCCC4=O)cc3)c3ccccc3c2=O)c1 ZINC000021359840 195298957 /nfs/dbraw/zinc/29/89/57/195298957.db2.gz UEJZRZVRZLTGRM-UHFFFAOYSA-N 0 0 468.509 4.483 50 0 JIAARN Cc1ccc(-n2ncc3c2ncn(Cc2nc(-c4cccc(C(F)(F)F)c4)no2)c3=O)cc1 ZINC000021363965 195299628 /nfs/dbraw/zinc/29/96/28/195299628.db2.gz SQYRWGQRSTZZHC-UHFFFAOYSA-N 0 0 452.396 4.008 50 0 JIAARN C[C@@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc2ccccc2c1 ZINC000021368215 195300220 /nfs/dbraw/zinc/30/02/20/195300220.db2.gz SRSZMSBOHZTGHZ-MRXNPFEDSA-N 0 0 455.543 4.232 50 0 JIAARN COc1ccc(OCC(=O)OCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000021376452 195300749 /nfs/dbraw/zinc/30/07/49/195300749.db2.gz GCOLBEDQOFIVMI-UHFFFAOYSA-N 0 0 453.535 4.208 50 0 JIAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000021409431 195300899 /nfs/dbraw/zinc/30/08/99/195300899.db2.gz GRXFFOFZRKUMRV-UHFFFAOYSA-N 0 0 451.954 4.207 50 0 JIAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1 ZINC000021406468 195300933 /nfs/dbraw/zinc/30/09/33/195300933.db2.gz PLDGKBGYNJEQGR-UHFFFAOYSA-N 0 0 492.576 4.378 50 0 JIAARN O=C(COC(=O)CCc1ccc2ccccc2n1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000021431892 195301208 /nfs/dbraw/zinc/30/12/08/195301208.db2.gz VGXDHTGQVSSOJD-UHFFFAOYSA-N 0 0 487.478 4.205 50 0 JIAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 ZINC000021447001 195301462 /nfs/dbraw/zinc/30/14/62/195301462.db2.gz JBFDNMLKCJRKFW-OAHLLOKOSA-N 0 0 490.965 4.471 50 0 JIAARN Cc1ccccc1-c1c2c(c3n1-c1ccccc1N[C@@H]3c1ccc3c(c1)OCO3)n(C)c(=O)n(C)c2=O ZINC000021524925 195304373 /nfs/dbraw/zinc/30/43/73/195304373.db2.gz HSPHRFHFPPBWLE-XMMPIXPASA-N 0 0 492.535 4.247 50 0 JIAARN O=C(NCc1cccc(Br)c1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021527889 195306211 /nfs/dbraw/zinc/30/62/11/195306211.db2.gz HTNSBJPREZXQAE-UHFFFAOYSA-N 0 0 487.357 4.390 50 0 JIAARN CSc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)cc1 ZINC000021527883 195306253 /nfs/dbraw/zinc/30/62/53/195306253.db2.gz BYHKYOYGTOGOSA-UHFFFAOYSA-N 0 0 454.555 4.349 50 0 JIAARN COc1ccc([C@@H](CC(=O)N2CCN(Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530535 195308688 /nfs/dbraw/zinc/30/86/88/195308688.db2.gz TZDYEAYRUFEFMO-AREMUKBSSA-N 0 0 499.611 4.135 50 0 JIAARN CCOc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)no2)cc1 ZINC000021786672 195321498 /nfs/dbraw/zinc/32/14/98/195321498.db2.gz YJKQSVXLSKYHAV-QGZVFWFLSA-N 0 0 481.574 4.452 50 0 JIAARN COc1ccc(-c2cc(C(=O)N(Cc3ccc(C(C)(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000021786605 195321514 /nfs/dbraw/zinc/32/15/14/195321514.db2.gz FGLMWSCYEOPXCR-OAQYLSRUSA-N 0 0 482.602 4.477 50 0 JIAARN CCCn1cnc2nc(CSc3ccccc3NC(=O)COc3ccc(Cl)cc3)cc(=O)n21 ZINC000021797369 195322945 /nfs/dbraw/zinc/32/29/45/195322945.db2.gz BAYUJGSOIFNCOB-UHFFFAOYSA-N 0 0 483.981 4.264 50 0 JIAARN O=C(COc1ccc(Cl)cc1Br)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000058329759 195377945 /nfs/dbraw/zinc/37/79/45/195377945.db2.gz VCMBFXPYKUGEKR-MRXNPFEDSA-N 0 0 452.654 4.048 50 0 JIAARN CCSc1nn(CC(=O)Nc2cccc(SC)c2)c(N)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000021911082 195329571 /nfs/dbraw/zinc/32/95/71/195329571.db2.gz YRRVEXVEEPXOIX-UHFFFAOYSA-N 0 0 497.067 4.424 50 0 JIAARN Cc1cc(C)n(Cc2cccc(CNC(=O)C[C@@](O)(c3nc4ccccc4o3)C(F)(F)F)c2)n1 ZINC000058378350 195378391 /nfs/dbraw/zinc/37/83/91/195378391.db2.gz UGSDWZVZOFAKFP-HSZRJFAPSA-N 0 0 472.467 4.146 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccccc4Br)no3)C2)cc1 ZINC000021939823 195338534 /nfs/dbraw/zinc/33/85/34/195338534.db2.gz RNMIFRFKFMNLOX-OAHLLOKOSA-N 0 0 462.369 4.376 50 0 JIAARN CC(=O)Oc1ccc([C@@H]2OC(c3cc(C4CC4)nc4ccccc43)=NN2C(C)=O)c(OC(C)=O)c1 ZINC000021941281 195339144 /nfs/dbraw/zinc/33/91/44/195339144.db2.gz 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CSc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3cccc(Cl)c3)c2=O)c1 ZINC000057472930 195342720 /nfs/dbraw/zinc/34/27/20/195342720.db2.gz QYVSXOLNSCXCNF-UHFFFAOYSA-N 0 0 465.962 4.226 50 0 JIAARN Cc1cccc(Cl)c1NC(=O)Cn1c2ccccc2c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000057472994 195342809 /nfs/dbraw/zinc/34/28/09/195342809.db2.gz LGMBWOXJXQMDBC-UHFFFAOYSA-N 0 0 468.340 4.465 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccccc3F)c2=O)cc1Cl ZINC000057485981 195344161 /nfs/dbraw/zinc/34/41/61/195344161.db2.gz GSXRUNXCXBXWBM-UHFFFAOYSA-N 0 0 457.914 4.013 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1 ZINC000057487405 195344994 /nfs/dbraw/zinc/34/49/94/195344994.db2.gz LKRDZFAACNKRED-UHFFFAOYSA-N 0 0 465.556 4.273 50 0 JIAARN O=C(CSc1nc2ccsc2c(=O)n1CCc1cccs1)N1CCc2ccccc21 ZINC000057489153 195346557 /nfs/dbraw/zinc/34/65/57/195346557.db2.gz TULZKMMOJIRZBG-UHFFFAOYSA-N 0 0 453.614 4.444 50 0 JIAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000057491891 195347312 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COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccc(F)cc2)cc2c1OCO2 ZINC000096335953 130072508 /nfs/dbraw/zinc/07/25/08/130072508.db2.gz VGNBLRZIHWAFFM-YKSBVNFPSA-N 0 0 475.428 4.201 50 0 JIAARN COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccc(F)cc2)cc2c1OCO2 ZINC000096335955 130072517 /nfs/dbraw/zinc/07/25/17/130072517.db2.gz VGNBLRZIHWAFFM-HYBUGGRVSA-N 0 0 475.428 4.201 50 0 JIAARN COc1ccc(CCNC(=O)COC(=O)/C(=C\c2cccs2)c2cccs2)cc1OC ZINC000096481424 130099407 /nfs/dbraw/zinc/09/94/07/130099407.db2.gz NDZAAAQKDUJASX-JXAWBTAJSA-N 0 0 457.573 4.270 50 0 JIAARN CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)s3)o2)cc1 ZINC000014254744 518296906 /nfs/dbraw/zinc/29/69/06/518296906.db2.gz DXAPVDNOYIIWOB-UHFFFAOYSA-N 0 0 472.588 4.315 50 0 JIAARN CC(=O)c1ccc(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)cc1 ZINC000008610835 518365757 /nfs/dbraw/zinc/36/57/57/518365757.db2.gz UZSKFXYWRZVBPD-UHFFFAOYSA-N 0 0 450.498 4.241 50 0 aggregator JIAARN 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CC(C)Cc1ccc(S(=O)(=O)N2CCc3c(c(-c4nc(-c5ccccc5)no4)nn3C)C2)cc1 ZINC000033283855 519441181 /nfs/dbraw/zinc/44/11/81/519441181.db2.gz VVXUMRFFRMWOFD-UHFFFAOYSA-N 0 0 477.590 4.083 50 0 JIAARN CC(C)C(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)Cc1ccccc1 ZINC000036061677 519452814 /nfs/dbraw/zinc/45/28/14/519452814.db2.gz WVBMHZRRDWTILN-UHFFFAOYSA-N 0 0 492.023 4.130 50 0 JIAARN CC(C)C(=O)Nc1ccc([C@H]2OC(=O)N(Cc3ccc(F)cc3)[C@H]2C(=O)N2CCCC2)cc1 ZINC000036215360 519524401 /nfs/dbraw/zinc/52/44/01/519524401.db2.gz FLADOXKMHAVDLB-FGZHOGPDSA-N 0 0 453.514 4.105 50 0 JIAARN CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)c2cccc(-c4ccc(F)cc4)c2)CCO3)CC1 ZINC000020454626 519588943 /nfs/dbraw/zinc/58/89/43/519588943.db2.gz KWLYXFQQFFRBEN-UHFFFAOYSA-N 0 0 487.575 4.192 50 0 JIAARN CC(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000065112096 519607774 /nfs/dbraw/zinc/60/77/74/519607774.db2.gz LYEDRDHVYDIUES-UHFFFAOYSA-N 0 0 486.569 4.429 50 0 JIAARN CC(=O)N1N=C(c2ccc(Br)cc2)O[C@@H]1c1cccc(I)c1 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CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000023546951 519821154 /nfs/dbraw/zinc/82/11/54/519821154.db2.gz YEUAAPCLMDFNLA-WZLNFYFKSA-N 0 0 454.514 4.498 50 0 JIAARN CC(C)c1ccc(N2C(=O)N(CC(=O)N3CCC(C)CC3)c3ccccc3S2(=O)=O)cc1 ZINC000012414811 519836761 /nfs/dbraw/zinc/83/67/61/519836761.db2.gz AOXISCOAYGCBKE-UHFFFAOYSA-N 0 0 455.580 4.204 50 0 JIAARN CC(C)c1ccc(S(=O)(=O)c2cnc(S[C@H](C)C(=O)Nc3ccccc3)nc2N)cc1 ZINC000008590421 519838930 /nfs/dbraw/zinc/83/89/30/519838930.db2.gz XFVMFGNKIYYPLT-OAHLLOKOSA-N 0 0 456.593 4.134 50 0 JIAARN CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccccc4Cl)ccc3n2)CC1 ZINC000033260591 519860249 /nfs/dbraw/zinc/86/02/49/519860249.db2.gz WRXYBCFWGRQZFN-UHFFFAOYSA-N 0 0 452.942 4.371 50 0 JIAARN CCCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2c(C)cc(C)cc2C)CC1 ZINC000033058986 519867276 /nfs/dbraw/zinc/86/72/76/519867276.db2.gz PWEGMMFOOICLOH-BQYQJAHWSA-N 0 0 459.612 4.006 50 0 JIAARN 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CCCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2c3cc(OC)ccc3n(C)c2c1=O ZINC000033287554 521633922 /nfs/dbraw/zinc/63/39/22/521633922.db2.gz QGERGKZAEDXEGX-UHFFFAOYSA-N 0 0 496.589 4.055 50 0 JIAARN CCS(=O)(=O)Nc1cc2nc(-c3ccccc3)n(C)c2c(C(=O)N(C)CCc2ccccc2)c1 ZINC000014995195 521684706 /nfs/dbraw/zinc/68/47/06/521684706.db2.gz YGGPKWMGMQWKCI-UHFFFAOYSA-N 0 0 476.602 4.317 50 0 JIAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(-c4nccs4)cc3)c2)CC1 ZINC000036437910 521690505 /nfs/dbraw/zinc/69/05/05/521690505.db2.gz XPUOTCCBNNMQSA-UHFFFAOYSA-N 0 0 491.038 4.042 50 0 JIAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccccc2Cl)s1 ZINC000008654541 521694692 /nfs/dbraw/zinc/69/46/92/521694692.db2.gz VOYVYZSTSRZRPR-UHFFFAOYSA-N 0 0 471.025 4.343 50 0 aggregator JIAARN CCCN1C(=O)c2c(C(=O)Nc3ccccc3Cl)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953035 521702670 /nfs/dbraw/zinc/70/26/70/521702670.db2.gz CDUSWRFASPPSKZ-SANMLTNESA-N 0 0 493.995 4.038 50 0 JIAARN CCOCCCNC(=O)C1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn32)CC1 ZINC000008598310 521710479 /nfs/dbraw/zinc/71/04/79/521710479.db2.gz XRPVORMAAAMOMX-UHFFFAOYSA-N 0 0 470.017 4.426 50 0 JIAARN CCOCCCNC(=O)C1CCN(c2ccc(Sc3ccc(Br)cc3)nn2)CC1 ZINC000045921510 521710647 /nfs/dbraw/zinc/71/06/47/521710647.db2.gz AUEWPKKIUZICJS-UHFFFAOYSA-N 0 0 479.444 4.150 50 0 JIAARN CCN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)Nc1ccc(Br)cc1)C[C@@H]1CSCN12 ZINC000021883336 521731253 /nfs/dbraw/zinc/73/12/53/521731253.db2.gz LINGBLVQZCPFHR-NRJQMVOHSA-N 0 0 472.408 4.044 50 0 biogenic JIAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)Nc1ccc(Br)cc1)C[C@@H]1CSCN12 ZINC000021883334 521731296 /nfs/dbraw/zinc/73/12/96/521731296.db2.gz LINGBLVQZCPFHR-CDMIOBSGSA-N 0 0 472.408 4.044 50 0 biogenic JIAARN CCNC(=O)COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1OCC ZINC000008895270 521738696 /nfs/dbraw/zinc/73/86/96/521738696.db2.gz GPWQTUXKRYSBEL-SANMLTNESA-N 0 0 489.528 4.100 50 0 JIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@@H](C)CC ZINC000036123362 521739205 /nfs/dbraw/zinc/73/92/05/521739205.db2.gz LQPZVEFHTUTAOO-UWJYYQICSA-N 0 0 461.603 4.470 50 0 JIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](C)CC ZINC000036123735 521739218 /nfs/dbraw/zinc/73/92/18/521739218.db2.gz DOWFBNYXKKGJQL-UTKZUKDTSA-N 0 0 461.603 4.470 50 0 JIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@@H](C)CC ZINC000036122497 521739220 /nfs/dbraw/zinc/73/92/20/521739220.db2.gz NEWLULBKRJRULK-ICSRJNTNSA-N 0 0 473.639 4.339 50 0 JIAARN CCNC(=O)N(Cc1ccc(F)cc1)Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1 ZINC000035480537 521739465 /nfs/dbraw/zinc/73/94/65/521739465.db2.gz UEBZTVAMQGGXOB-UHFFFAOYSA-N 0 0 460.502 4.464 50 0 JIAARN CCNC(=O)N1C[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)CC[C@@H]1c1ccc(F)c(C)c1 ZINC000034754970 521740779 /nfs/dbraw/zinc/74/07/79/521740779.db2.gz AEHZABNMVMOVGK-NZQKXSOJSA-N 0 0 470.564 4.105 50 0 JIAARN CCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(OC)c(OC)c3)on1)CCCC2 ZINC000046086395 521747073 /nfs/dbraw/zinc/74/70/73/521747073.db2.gz 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CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OCc3ccccc3)cc1)C(C(=O)OC)=C(C)N2 ZINC000035227774 521784536 /nfs/dbraw/zinc/78/45/36/521784536.db2.gz NOZHSCCJFCXVIV-FQEVSTJZSA-N 0 0 463.559 4.465 50 0 JIAARN CCSc1ncc(Cl)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(OC)cc2)n1 ZINC000041156338 521787753 /nfs/dbraw/zinc/78/77/53/521787753.db2.gz ZMTZWGZPGZUCDC-IBGZPJMESA-N 0 0 470.982 4.230 50 0 JIAARN CNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccc5c(c4)CCCC5)ccc3n2C)cc1 ZINC000033276995 521794650 /nfs/dbraw/zinc/79/46/50/521794650.db2.gz WNWJLSDRHOAVBO-UHFFFAOYSA-N 0 0 474.586 4.280 50 0 JIAARN CCc1ccccc1-n1cnnc1SCC(=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000026178459 521804063 /nfs/dbraw/zinc/80/40/63/521804063.db2.gz MHPHYIDHYGGPNV-SFHVURJKSA-N 0 0 492.674 4.437 50 0 JIAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1cccc(C(F)(F)F)c1)c(=O)n2-c1ccccc1 ZINC000012417759 521830578 /nfs/dbraw/zinc/83/05/78/521830578.db2.gz NZHVOKJCHCCVAJ-UHFFFAOYSA-N 0 0 495.457 4.279 50 0 JIAARN CCc1ccccc1NC(=O)Cn1c(=O)cc(C(=O)N2CCc3ccccc3C2)c2ccccc21 ZINC000012413589 521881125 /nfs/dbraw/zinc/88/11/25/521881125.db2.gz GSAQMCFIOIUNEM-UHFFFAOYSA-N 0 0 465.553 4.401 50 0 biogenic,in-vitro JIAARN COc1cc(-c2nc(COC(=O)c3nnn(-c4ccc(C)cc4)c3C)c(C)o2)cc(OC)c1OC ZINC000012415676 521904287 /nfs/dbraw/zinc/90/42/87/521904287.db2.gz IGRDZDFURDAMRR-UHFFFAOYSA-N 0 0 478.505 4.230 50 0 JIAARN CCc1ccccc1NC(=O)c1nnn(Cc2nc(-c3ccc(OC)cc3OC)oc2C)c1C ZINC000064967631 521909425 /nfs/dbraw/zinc/90/94/25/521909425.db2.gz WFXVIYPTRSBHAR-UHFFFAOYSA-N 0 0 461.522 4.430 50 0 JIAARN CC[C@H](C)[C@H](NC(=O)C(C)(C)C)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000016571481 521958334 /nfs/dbraw/zinc/95/83/34/521958334.db2.gz AZVNEWAUCMRWCT-FZMZJTMJSA-N 0 0 453.406 4.483 50 0 JIAARN CC[C@@H](C)CNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036254160 521992578 /nfs/dbraw/zinc/99/25/78/521992578.db2.gz GXYXJCHANWJQQP-DYESRHJHSA-N 0 0 453.549 4.184 50 0 JIAARN COc1cc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)ccc1OCc1ccccc1 ZINC000033344821 522011022 /nfs/dbraw/zinc/01/10/22/522011022.db2.gz SHSKBJJMAZXQKL-HZHRSRAPSA-N 0 0 455.539 4.262 50 0 JIAARN COCCn1c(=O)c2c(nc1SCC(=O)NCCc1ccc(Cl)cc1)sc1c2CCCC1 ZINC000002641054 522054458 /nfs/dbraw/zinc/05/44/58/522054458.db2.gz OLENFTRKJJKLBG-UHFFFAOYSA-N 0 0 492.066 4.088 50 0 JIAARN COC(=O)c1ccc(Cl)c(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c1 ZINC000033272050 522059388 /nfs/dbraw/zinc/05/93/88/522059388.db2.gz YIQURJGQFFBTJH-UHFFFAOYSA-N 0 0 470.934 4.493 50 0 JIAARN COc1cc(C(=O)N(Cc2ccccc2)Cc2cc3ccccc3[nH]c2=O)cc(OC)c1OC ZINC000016488027 522063522 /nfs/dbraw/zinc/06/35/22/522063522.db2.gz NVVHETFKUPKJNV-UHFFFAOYSA-N 0 0 458.514 4.397 50 0 JIAARN COCCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)N2CCN(c3ccccc3F)CC2)c1=O ZINC000022697658 522064265 /nfs/dbraw/zinc/06/42/65/522064265.db2.gz KMRGDQFOXKCDKF-VWLOTQADSA-N 0 0 485.987 4.213 50 0 JIAARN CC[C@@H](C)N(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)CC(C)C 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CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)NCc4ccccc4OC)n3C)cc2C1 ZINC000008981126 523374084 /nfs/dbraw/zinc/37/40/84/523374084.db2.gz IPYDMCOCBARZPD-OAHLLOKOSA-N 0 0 456.637 4.476 50 0 JIAARN CCn1cc(CNc2nc(C)c(-c3ccn(C[C@H]4COc5ccccc5O4)n3)s2)c(C)n1 ZINC000014952313 523390387 /nfs/dbraw/zinc/39/03/87/523390387.db2.gz MIZAPHSXFQOKDB-SFHVURJKSA-N 0 0 450.568 4.292 50 0 JIAARN COc1ccc(/C=C/c2nc3s/c(=C\c4cccc(OCc5ccccc5)c4)c(=O)n3n2)cc1OC ZINC000016742152 523408190 /nfs/dbraw/zinc/40/81/90/523408190.db2.gz VHBLZXLMRRKBIC-NBYKJDAVSA-N 0 0 497.576 4.465 50 0 JIAARN COc1ccc(/C=C2\Sc3ccc(C(=O)N4CCN(c5ccccn5)CC4)cc3N(C)C2=O)cc1 ZINC000020179585 523429154 /nfs/dbraw/zinc/42/91/54/523429154.db2.gz WWXUBWNXPREIGP-ULJHMMPZSA-N 0 0 486.597 4.162 50 0 JIAARN COc1ccc(Br)cc1/C=c1/sc2nc(-c3ccc(Cl)cc3Cl)nn2c1=O ZINC000016730542 523492340 /nfs/dbraw/zinc/49/23/40/523492340.db2.gz SRVHKPFNFXIUHX-VIZOYTHASA-N 0 0 483.174 4.444 50 0 JIAARN COc1ccc(Br)cc1C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000036805789 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CN(c1ccccc1)S(=O)(=O)c1cccc(NCC(=O)Nc2ccccc2OC(F)F)c1 ZINC000022810894 523650537 /nfs/dbraw/zinc/65/05/37/523650537.db2.gz UWBQXVWZOPXRHH-UHFFFAOYSA-N 0 0 461.490 4.164 50 0 JIAARN CCn1nc(C)c2ccnc(N3CCC(C(=O)N4CCN(c5cc(Cl)ccc5C)CC4)CC3)c21 ZINC000033173177 523671656 /nfs/dbraw/zinc/67/16/56/523671656.db2.gz HCCHATCIFAGJRN-UHFFFAOYSA-N 0 0 481.044 4.287 50 0 JIAARN CCn1nc(C)cc1C(=O)N1CCC[C@@H](c2nc(SCC(=O)OC)ncc2-c2ccc(F)cc2)C1 ZINC000014985277 523672667 /nfs/dbraw/zinc/67/26/67/523672667.db2.gz JLVYLYPJAZJGRU-GOSISDBHSA-N 0 0 497.596 4.092 50 0 JIAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COCC(C)C ZINC000036302438 523737271 /nfs/dbraw/zinc/73/72/71/523737271.db2.gz IWXUMIMMLSNRQK-XMMPIXPASA-N 0 0 497.636 4.464 50 0 JIAARN COc1ccc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)cc1S(=O)(=O)N1CCCC1 ZINC000021832016 523741203 /nfs/dbraw/zinc/74/12/03/523741203.db2.gz JODZBSVEGFQVDB-UHFFFAOYSA-N 0 0 490.585 4.355 50 0 JIAARN COc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4cc(Cl)ccc4n3)c2)cc1OC ZINC000033068253 523757356 /nfs/dbraw/zinc/75/73/56/523757356.db2.gz RJOIVPOTJHJSSQ-UHFFFAOYSA-N 0 0 465.893 4.196 50 0 JIAARN COc1ccc(C(O)=C2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000009086423 523778030 /nfs/dbraw/zinc/77/80/30/523778030.db2.gz YCDGLORPLHEYGV-DAMQTCOWSA-N 0 0 464.521 4.257 50 0 JIAARN COc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Br)cc2)cc1F ZINC000046057004 523778183 /nfs/dbraw/zinc/77/81/83/523778183.db2.gz DMRKBWJHIKXYQJ-HNNXBMFYSA-N 0 0 458.287 4.400 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1OC ZINC000043726988 523778822 /nfs/dbraw/zinc/77/88/22/523778822.db2.gz OGBSPKQXOCTVAU-QYOOZWMWSA-N 0 0 480.520 4.102 50 0 JIAARN COc1ccc(C(=O)c2cn(Cc3ccc(F)cc3)c3cc4c(cc3c2=O)OCCO4)cc1OC ZINC000002691861 523781619 /nfs/dbraw/zinc/78/16/19/523781619.db2.gz PSVBKGAQBZPLPS-UHFFFAOYSA-N 0 0 475.472 4.208 50 0 JIAARN CC[C@H](C(=O)Nc1cc(OC)cc(OC)c1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965256 523797159 /nfs/dbraw/zinc/79/71/59/523797159.db2.gz RYFCHAXORJHECM-HSZRJFAPSA-N 0 0 460.534 4.411 50 0 JIAARN COc1ccc(C)cc1-n1c(SCC(=O)NCC(F)(F)F)nc2sc(C)c(C)c2c1=O ZINC000002624058 523799493 /nfs/dbraw/zinc/79/94/93/523799493.db2.gz CLEIQYUATIVTGP-UHFFFAOYSA-N 0 0 471.526 4.152 50 0 JIAARN COc1ccc(C)cc1NC(=O)Cn1c(=O)cc(C(=O)N2CCc3ccccc3C2)c2ccccc21 ZINC000012447280 523827953 /nfs/dbraw/zinc/82/79/53/523827953.db2.gz BIVJGGILAZXCBT-UHFFFAOYSA-N 0 0 481.552 4.156 50 0 biogenic,in-vitro JIAARN COc1ccc(C)cc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(C)ccc2O1 ZINC000064985883 523838005 /nfs/dbraw/zinc/83/80/05/523838005.db2.gz IFRCBPSJAGQFRK-DEOSSOPVSA-N 0 0 466.559 4.215 50 0 JIAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000033173588 523854254 /nfs/dbraw/zinc/85/42/54/523854254.db2.gz CYKYRZQIZBNZSS-UHFFFAOYSA-N 0 0 465.497 4.434 50 0 JIAARN CCc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(Cc2ccccn2)C3=O)cc1 ZINC000021852920 523855924 /nfs/dbraw/zinc/85/59/24/523855924.db2.gz JSYTWOVUOGGCPY-MUUNZHRXSA-N 0 0 471.605 4.371 50 0 JIAARN CCc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4c(=O)n3CCCO)n2)cc1 ZINC000008705435 523857901 /nfs/dbraw/zinc/85/79/01/523857901.db2.gz UQXUQNMJIZROFJ-UHFFFAOYSA-N 0 0 480.615 4.196 50 0 JIAARN CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C ZINC000044803384 523861279 /nfs/dbraw/zinc/86/12/79/523861279.db2.gz CYYPGESLIMCZCL-QGZVFWFLSA-N 0 0 463.603 4.028 50 0 JIAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2ccccc2Br)c3=O)cc1 ZINC000033277693 523866199 /nfs/dbraw/zinc/86/61/99/523866199.db2.gz OQXQPZBTTSDRKX-UHFFFAOYSA-N 0 0 467.323 4.405 50 0 JIAARN CCc1ccc(-n2c(CN3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)nc3cccnc32)cc1 ZINC000033139366 523866986 /nfs/dbraw/zinc/86/69/86/523866986.db2.gz VHELDHQPXGUMJL-UHFFFAOYSA-N 0 0 496.036 4.143 50 0 JIAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2ccc4c(c2)OCCO4)cc3C)cc1 ZINC000045990718 523868538 /nfs/dbraw/zinc/86/85/38/523868538.db2.gz SMCIMHFJFOINGV-UHFFFAOYSA-N 0 0 458.518 4.388 50 0 JIAARN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)COC ZINC000036115963 523873091 /nfs/dbraw/zinc/87/30/91/523873091.db2.gz KUIVNKUCVFYYFY-UWJYYQICSA-N 0 0 479.042 4.427 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@H](c3ccccc3F)C2)cc1 ZINC000036341493 523876830 /nfs/dbraw/zinc/87/68/30/523876830.db2.gz CRGPFWRHPWEQRL-MHZLTWQESA-N 0 0 490.554 4.473 50 0 JIAARN CCc1ccc(C(=O)Cn2c(=O)c3c(ncn3C3CCCC3)n(Cc3ccccc3)c2=O)s1 ZINC000012507102 523879829 /nfs/dbraw/zinc/87/98/29/523879829.db2.gz DIADKVZKKDEAKF-UHFFFAOYSA-N 0 0 462.575 4.030 50 0 JIAARN COc1ccc(CC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)cc1 ZINC000046122740 523893747 /nfs/dbraw/zinc/89/37/47/523893747.db2.gz QZNXLAHLFZUOHK-INIZCTEOSA-N 0 0 470.982 4.401 50 0 JIAARN COCCNC(=O)c1coc(CN(Cc2ccc(OC)cc2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000036065329 523929733 /nfs/dbraw/zinc/92/97/33/523929733.db2.gz MVRMJHHROXSIAN-UHFFFAOYSA-N 0 0 477.483 4.281 50 0 JIAARN COc1ccc(CCN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCCC(C)C)c(OC)c1 ZINC000021858714 523946308 /nfs/dbraw/zinc/94/63/08/523946308.db2.gz BGLXXGIHKZCDCI-NDEPHWFRSA-N 0 0 477.605 4.278 50 0 JIAARN CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036066379 523946934 /nfs/dbraw/zinc/94/69/34/523946934.db2.gz YKZUPFNXTUYVDX-KPXMQOSOSA-N 0 0 493.648 4.147 50 0 biogenic JIAARN COc1ccc(CCN2C(=O)c3ccccc3C[C@]2(C)C(=O)NC2CCC(C)CC2)cc1OC ZINC000021780691 523947646 /nfs/dbraw/zinc/94/76/46/523947646.db2.gz TWOSGZCZSBNSGR-GWCPKJKKSA-N 0 0 464.606 4.398 50 0 JIAARN COc1ccc(CCN2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1OC ZINC000021809445 523948070 /nfs/dbraw/zinc/94/80/70/523948070.db2.gz PZFFYRDELOBFPM-SANMLTNESA-N 0 0 481.618 4.236 50 0 JIAARN COc1ccc(CCN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2)cc1OC ZINC000021858122 523948114 /nfs/dbraw/zinc/94/81/14/523948114.db2.gz CTEXLLDXDXENNJ-SSEXGKCCSA-N 0 0 497.595 4.432 50 0 JIAARN COc1ccc(CCNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000013893813 523956831 /nfs/dbraw/zinc/95/68/31/523956831.db2.gz RHNBVWMIXXOZTG-UHFFFAOYSA-N 0 0 496.629 4.381 50 0 JIAARN COc1ccc(CCNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000014185878 523957318 /nfs/dbraw/zinc/95/73/18/523957318.db2.gz RLJKVZKDJCSHIE-UHFFFAOYSA-N 0 0 484.643 4.280 50 0 JIAARN COc1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)cc1OC ZINC000067209020 523959586 /nfs/dbraw/zinc/95/95/86/523959586.db2.gz FUCZVFCXVMPJEX-UHFFFAOYSA-N 0 0 495.626 4.224 50 0 JIAARN COc1ccc(CCNC(=O)CSc2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1OC ZINC000009118344 523960076 /nfs/dbraw/zinc/96/00/76/523960076.db2.gz WSUAFNYDLPZNHC-UHFFFAOYSA-N 0 0 495.645 4.122 50 0 JIAARN CCc1ccc(N2C[C@@H](C(=O)OCc3csc(CC(=O)Nc4ccccc4C)n3)CC2=O)cc1 ZINC000030620418 523964920 /nfs/dbraw/zinc/96/49/20/523964920.db2.gz MAMOORWVJOHXKC-IBGZPJMESA-N 0 0 477.586 4.291 50 0 JIAARN COc1ccc(CCNC(=O)c2c(N)n(-c3ccccc3)c3nc4ccccc4nc32)cc1OC ZINC000006150464 523967821 /nfs/dbraw/zinc/96/78/21/523967821.db2.gz TYKFVEUZZUTEOO-UHFFFAOYSA-N 0 0 467.529 4.146 50 0 JIAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000037525370 523971030 /nfs/dbraw/zinc/97/10/30/523971030.db2.gz WZZMBAXHXGWNMG-UHFFFAOYSA-N 0 0 472.589 4.458 50 0 biogenic JIAARN CCc1ccc(NC(=O)CSc2nccnc2N2CCN(c3ccccc3OC)CC2)cc1 ZINC000033170178 523975502 /nfs/dbraw/zinc/97/55/02/523975502.db2.gz IWWPFKRCIHIMQO-UHFFFAOYSA-N 0 0 463.607 4.105 50 0 JIAARN CCc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3cc(Cl)ccc3O2)cc1 ZINC000064985710 523989372 /nfs/dbraw/zinc/98/93/72/523989372.db2.gz RUAXHIOKVANCFS-QFIPXVFZSA-N 0 0 456.951 4.497 50 0 JIAARN CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)C2)cc1 ZINC000035502839 523989879 /nfs/dbraw/zinc/98/98/79/523989879.db2.gz WVPNSDCWTOBAIJ-KRWDZBQOSA-N 0 0 474.608 4.017 50 0 JIAARN CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)C2)cc1 ZINC000021717886 523990555 /nfs/dbraw/zinc/99/05/55/523990555.db2.gz FLPZMNQMLPZCHH-SFHVURJKSA-N 0 0 488.997 4.300 50 0 JIAARN CCc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3cc(Cl)ccc3O2)cc1 ZINC000064985711 523991291 /nfs/dbraw/zinc/99/12/91/523991291.db2.gz RUAXHIOKVANCFS-JOCHJYFZSA-N 0 0 456.951 4.497 50 0 JIAARN CC[C@H](C)NC(=O)c1cnn2c1N[C@@H](c1cc(OC)c(OC)c(OC)c1)C[C@H]2C(F)(F)F ZINC000085606381 524001223 /nfs/dbraw/zinc/00/12/23/524001223.db2.gz GINCKGZIJXUHEG-KHIZAZIESA-N 0 0 456.465 4.098 50 0 JIAARN COC(=O)[C@](NNc1ccc(C)c(C)c1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000002050378 524006860 /nfs/dbraw/zinc/00/68/60/524006860.db2.gz HWBRCQNGJNKPQS-GOSISDBHSA-N 0 0 464.271 4.388 50 0 JIAARN CCc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)cc1 ZINC000046124423 524011603 /nfs/dbraw/zinc/01/16/03/524011603.db2.gz KKFLTQSVJPEIQA-INIZCTEOSA-N 0 0 474.583 4.060 50 0 JIAARN COc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000021858909 524021224 /nfs/dbraw/zinc/02/12/24/524021224.db2.gz KWQNCLMKRDRZQW-GDLZYMKVSA-N 0 0 483.568 4.390 50 0 JIAARN COc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)c(OC)c1 ZINC000021858685 524021228 /nfs/dbraw/zinc/02/12/28/524021228.db2.gz OAJYLZKQUDYUIR-HHHXNRCGSA-N 0 0 463.578 4.236 50 0 JIAARN COc1ccc(CN2CC(=O)N3[C@H](c4ccccc4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002094630 524023343 /nfs/dbraw/zinc/02/33/43/524023343.db2.gz ZMWIDXDOAPKXDY-RPLLCQBOSA-N 0 0 451.526 4.062 50 0 biogenic JIAARN COc1ccc(CNC(=O)C2CCN(c3cc(C(=O)Nc4ccccc4F)ccn3)CC2)c(OC)c1 ZINC000033073990 524045980 /nfs/dbraw/zinc/04/59/80/524045980.db2.gz NRTGZHJIDHCJTI-UHFFFAOYSA-N 0 0 492.551 4.023 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3ncccc3-c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000049006485 524046888 /nfs/dbraw/zinc/04/68/88/524046888.db2.gz NDJJKAISUAXWTR-UHFFFAOYSA-N 0 0 469.545 4.340 50 0 JIAARN COc1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001171436 524049414 /nfs/dbraw/zinc/04/94/14/524049414.db2.gz JOBWMJXYDDTULL-UHFFFAOYSA-N 0 0 452.576 4.132 50 0 JIAARN COc1ccc(CNC(=O)CSCc2ccc(-c3nc(-c4ccc5c(c4)OCO5)no3)o2)cc1 ZINC000033262409 524052992 /nfs/dbraw/zinc/05/29/92/524052992.db2.gz WCLPCDUFIIKPNR-UHFFFAOYSA-N 0 0 479.514 4.284 50 0 JIAARN COc1ccc(CNC(=O)CSc2nnc(C(c3ccccc3)c3ccccc3)n2C)cc1 ZINC000016192753 524053789 /nfs/dbraw/zinc/05/37/89/524053789.db2.gz DHQSQXWHKZKRDD-UHFFFAOYSA-N 0 0 458.587 4.412 50 0 JIAARN CCc1cccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000064951391 524061937 /nfs/dbraw/zinc/06/19/37/524061937.db2.gz TUVHFZBPJPDUTJ-UHFFFAOYSA-N 0 0 462.378 4.084 50 0 JIAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nccn4nc(-c5ccc(F)cc5)cc34)C2)cc1OC ZINC000064958720 524064483 /nfs/dbraw/zinc/06/44/83/524064483.db2.gz QXUFSOQQRXOPAE-FQEVSTJZSA-N 0 0 489.551 4.085 50 0 JIAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccsc4c(=O)n3-c3ccc(C)cc3)C2)cc1 ZINC000033302493 524064599 /nfs/dbraw/zinc/06/45/99/524064599.db2.gz FPJZSQCYPHXRSD-FQEVSTJZSA-N 0 0 488.613 4.297 50 0 JIAARN COc1ccc(CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)cc1OC ZINC000014047689 524065719 /nfs/dbraw/zinc/06/57/19/524065719.db2.gz REVUQEAAJFCLFM-UHFFFAOYSA-N 0 0 488.544 4.398 50 0 JIAARN COc1ccc(CNC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2ccc(C)cc2)c3=O)cc1 ZINC000033251245 524066891 /nfs/dbraw/zinc/06/68/91/524066891.db2.gz LZEJBPARCQAWEY-UHFFFAOYSA-N 0 0 468.557 4.233 50 0 JIAARN COc1ccc(CNC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2ccc(F)cc2)c3=O)cc1 ZINC000048990392 524067042 /nfs/dbraw/zinc/06/70/42/524067042.db2.gz TVRMLLYDEVDUTA-UHFFFAOYSA-N 0 0 472.520 4.064 50 0 JIAARN C[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)Cn1cnc2onc(-c3cccc(F)c3)c2c1=O ZINC000033069112 524087695 /nfs/dbraw/zinc/08/76/95/524087695.db2.gz CTHMXVJIFRRHHB-VTKOLAJRSA-N 0 0 464.541 4.302 50 0 JIAARN COc1ccc(COc2ccc(=O)n(-c3ccc(C(=O)Nc4cc(F)ccc4F)cc3)n2)cc1 ZINC000035481287 524119385 /nfs/dbraw/zinc/11/93/85/524119385.db2.gz ZPYPNFGEEHJXBX-UHFFFAOYSA-N 0 0 463.440 4.351 50 0 JIAARN Cc1cccc(-c2nnc3ccc(N4CCC(C(=O)NCCCc5ccccc5)CC4)nn32)c1 ZINC000033260220 524127141 /nfs/dbraw/zinc/12/71/41/524127141.db2.gz PPZMQXMWWBGZOG-UHFFFAOYSA-N 0 0 454.578 4.065 50 0 JIAARN COc1cccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1 ZINC000021658954 524131260 /nfs/dbraw/zinc/13/12/60/524131260.db2.gz WLUFTRWPYLIQGR-QHCPKHFHSA-N 0 0 464.525 4.218 50 0 JIAARN COc1cccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4F)c4c(c32)n(C)c(=O)n(C)c4=O)c1 ZINC000021659241 524131670 /nfs/dbraw/zinc/13/16/70/524131670.db2.gz ZWWBJQZSQMIKLM-QHCPKHFHSA-N 0 0 482.515 4.358 50 0 JIAARN COc1cccc([C@H](C)NC(=O)c2ccc(CN3c4ccccc4C(=O)N4CCC[C@@H]4C3=O)cc2)c1 ZINC000035458289 524150890 /nfs/dbraw/zinc/15/08/90/524150890.db2.gz DUHRXWJQSFNLSD-AFMDSPMNSA-N 0 0 483.568 4.338 50 0 JIAARN COc1ccc(Cl)c(-c2noc3ncn(CCC(=O)NC[C@@H](C)c4ccccc4)c(=O)c32)c1 ZINC000033250038 524172706 /nfs/dbraw/zinc/17/27/06/524172706.db2.gz HGKHRSPVLAVZER-OAHLLOKOSA-N 0 0 466.925 4.024 50 0 JIAARN Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 ZINC000033271954 524179179 /nfs/dbraw/zinc/17/91/79/524179179.db2.gz XMMOFZBWAGMWPW-UHFFFAOYSA-N 0 0 475.570 4.289 50 0 JIAARN COc1cccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000002416770 524191227 /nfs/dbraw/zinc/19/12/27/524191227.db2.gz UKLMBWJPBYULPS-UZLBHIALSA-N 0 0 470.319 4.288 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000006146680 524195391 /nfs/dbraw/zinc/19/53/91/524195391.db2.gz GZFRBLJBHPMRDB-UHFFFAOYSA-N 0 0 477.630 4.499 50 0 JIAARN Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CSc1nnc(-c2cccs2)n1CCC(N)=O ZINC000024926059 524201184 /nfs/dbraw/zinc/20/11/84/524201184.db2.gz XSROOUVBMILNLW-KRWDZBQOSA-N 0 0 474.652 4.020 50 0 JIAARN C[C@@H](C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)n1c(=O)oc2ccccc21 ZINC000014318764 524217689 /nfs/dbraw/zinc/21/76/89/524217689.db2.gz FMKXBKYLDZBUQX-KRWDZBQOSA-N 0 0 456.477 4.464 50 0 JIAARN Cc1cccc(C(=O)Nc2cccc([C@@H]3OC(=O)N(Cc4ccccc4)[C@@H]3C(=O)N3CCOCC3)c2)c1 ZINC000036218757 524219632 /nfs/dbraw/zinc/21/96/32/524219632.db2.gz WPZBNYDTCFGURC-UIOOFZCWSA-N 0 0 499.567 4.168 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CSc1ccc(N2CCN(c3ccccc3)CC2)nn1 ZINC000065025864 524227812 /nfs/dbraw/zinc/22/78/12/524227812.db2.gz MVQXRNOEBNUDOI-UHFFFAOYSA-N 0 0 469.998 4.196 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C ZINC000067322169 524232001 /nfs/dbraw/zinc/23/20/01/524232001.db2.gz WOOLURZPTQYDNV-UHFFFAOYSA-N 0 0 467.835 4.158 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)Cn1nc2c(Sc3ccccc3)nc3ccccc3n2c1=O ZINC000033262563 524232234 /nfs/dbraw/zinc/23/22/34/524232234.db2.gz LGUCMYFHQQFOEQ-UHFFFAOYSA-N 0 0 491.960 4.496 50 0 JIAARN COc1ccc(Cn2c(SCC(=O)N3CCC[C@H](C)C3)nc3c4cccnc4sc3c2=O)cc1 ZINC000045923190 524257938 /nfs/dbraw/zinc/25/79/38/524257938.db2.gz PTGKWVYDHYVQKR-INIZCTEOSA-N 0 0 494.642 4.414 50 0 JIAARN COc1ccc(Cn2ccc3nc(C)c(C(=O)NCc4ccc(SC)cc4)cc3c2=O)cc1 ZINC000008605568 524262653 /nfs/dbraw/zinc/26/26/53/524262653.db2.gz HRUUXIKMNCSQJP-UHFFFAOYSA-N 0 0 459.571 4.414 50 0 JIAARN COc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)Nc1ccc(F)c(Cl)c1)c(C)n2C ZINC000035448395 524269448 /nfs/dbraw/zinc/26/94/48/524269448.db2.gz CHVLUXXFFDLNEF-UHFFFAOYSA-N 0 0 468.916 4.381 50 0 JIAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C ZINC000014045880 524279893 /nfs/dbraw/zinc/27/98/93/524279893.db2.gz BWJPNZIPULHCFA-UHFFFAOYSA-N 0 0 499.571 4.436 50 0 JIAARN COc1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(NCc2ccco2)o1 ZINC000013727830 524282639 /nfs/dbraw/zinc/28/26/39/524282639.db2.gz LHZJUXJAXOITMO-UHFFFAOYSA-N 0 0 468.487 4.159 50 0 JIAARN Cc1cccc(C)c1NC(=O)CSc1nccnc1N1CCN(c2ccc(F)cc2)CC1 ZINC000021656955 524282679 /nfs/dbraw/zinc/28/26/79/524282679.db2.gz KJDFKVLVVTWBCD-UHFFFAOYSA-N 0 0 451.571 4.290 50 0 JIAARN COc1ccc(F)c(C[C@@]2(CCC(=O)N3CCC[C@H](OCc4ccccc4)C3)CCC(=O)N2)c1 ZINC000012245687 524284977 /nfs/dbraw/zinc/28/49/77/524284977.db2.gz MHMCTGAXLKEQLR-HOFKKMOUSA-N 0 0 468.569 4.014 50 0 JIAARN COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1N ZINC000036213819 524292072 /nfs/dbraw/zinc/29/20/72/524292072.db2.gz OIXGSFAJXWBRRC-RYUDHWBXSA-N 0 0 466.394 4.332 50 0 JIAARN COc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000008719748 524297332 /nfs/dbraw/zinc/29/73/32/524297332.db2.gz RWLOXGBCYGWELC-UHFFFAOYSA-N 0 0 458.543 4.378 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@H](C(=O)NCC(C)C)C3)c2)c(C)c1 ZINC000021710755 524325348 /nfs/dbraw/zinc/32/53/48/524325348.db2.gz XXLRJGYTUDCNHC-QFIPXVFZSA-N 0 0 485.650 4.037 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@H]3C(=O)NC3CCCCC3)c2)c(C)c1 ZINC000021662684 524327407 /nfs/dbraw/zinc/32/74/07/524327407.db2.gz NSMGPJUQFUXGRZ-DEOSSOPVSA-N 0 0 497.661 4.466 50 0 JIAARN Cc1cc(C)cc(-n2c(=O)c3ccccc3n(Cc3nc(-c4ccc(C)c(C)c4)no3)c2=O)c1 ZINC000064998888 524356891 /nfs/dbraw/zinc/35/68/91/524356891.db2.gz FQHZARDKDPSXFT-UHFFFAOYSA-N 0 0 452.514 4.484 50 0 JIAARN COc1ccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000013525567 524359162 /nfs/dbraw/zinc/35/91/62/524359162.db2.gz JEVPGQVDZUYQSU-UHFFFAOYSA-N 0 0 466.603 4.256 50 0 JIAARN Cc1cccc(CN(Cc2nc(C(=O)NCCc3ccccn3)co2)Cc2ccc3c(c2)OCO3)c1 ZINC000036068269 524383992 /nfs/dbraw/zinc/38/39/92/524383992.db2.gz VISPJNLKMRZSLN-UHFFFAOYSA-N 0 0 484.556 4.282 50 0 JIAARN Cc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccnc4)cc3)[C@H]2C(=O)NC(C)C)c1 ZINC000036217810 524384203 /nfs/dbraw/zinc/38/42/03/524384203.db2.gz IYPVNWPPPVFNEN-ZEQRLZLVSA-N 0 0 472.545 4.229 50 0 JIAARN COc1ccc(N2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021853688 524397802 /nfs/dbraw/zinc/39/78/02/524397802.db2.gz MHCLPMXOWQJNLV-MUUNZHRXSA-N 0 0 466.541 4.294 50 0 JIAARN Cc1cccc(CN2CCN(C(=O)c3cn(C4CCCC4)cc(C(=O)NCCC(C)C)c3=O)CC2)c1 ZINC000014955902 524398807 /nfs/dbraw/zinc/39/88/07/524398807.db2.gz POZNJDOYQBXIJA-UHFFFAOYSA-N 0 0 492.664 4.006 50 0 JIAARN Cc1cccc(CN2CCN(C3CCN(S(=O)(=O)c4cccc(Cl)c4C)CC3)C2=O)c1 ZINC000064950934 524399989 /nfs/dbraw/zinc/39/99/89/524399989.db2.gz JXOQPWRBNIAOPH-UHFFFAOYSA-N 0 0 462.015 4.048 50 0 JIAARN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 ZINC000016269067 524407012 /nfs/dbraw/zinc/40/70/12/524407012.db2.gz HFCQACAGWHSMAY-FQEVSTJZSA-N 0 0 479.602 4.199 50 0 JIAARN COc1ccccc1CCNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccccc1F ZINC000012324808 524412297 /nfs/dbraw/zinc/41/22/97/524412297.db2.gz ZZANYDLRHXUMSD-ULJHMMPZSA-N 0 0 471.532 4.456 50 0 JIAARN Cc1ccc(CN(CCc2ccccc2)CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)s1 ZINC000016397165 524416845 /nfs/dbraw/zinc/41/68/45/524416845.db2.gz QMCQTRIUJSMSBW-QHCPKHFHSA-N 0 0 474.692 4.060 50 0 JIAARN Cc1cccc(CNC(=O)c2ccccc2CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)c1 ZINC000035459093 524429127 /nfs/dbraw/zinc/42/91/27/524429127.db2.gz PKWZPKDSYNDYRS-RUZDIDTESA-N 0 0 453.542 4.076 50 0 JIAARN Cc1cc(C)cc(NC(=O)[C@H](C)n2nc(C)c3nn(-c4ccccc4)c(-n4cccc4)c3c2=O)c1 ZINC000033057960 524434253 /nfs/dbraw/zinc/43/42/53/524434253.db2.gz MUZZSYZRJRYGQD-FQEVSTJZSA-N 0 0 466.545 4.498 50 0 JIAARN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)CCCOc1ccc(C(C)=O)cc1OC ZINC000040121177 524442195 /nfs/dbraw/zinc/44/21/95/524442195.db2.gz JJCBBMZMEJNDKZ-JOCHJYFZSA-N 0 0 455.551 4.273 50 0 JIAARN Cc1ccc(CN2CCCN(c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)C2=O)cc1 ZINC000046079461 524446493 /nfs/dbraw/zinc/44/64/93/524446493.db2.gz MYOYTLFKIAMCGD-UHFFFAOYSA-N 0 0 457.530 4.486 50 0 JIAARN COc1ccc(N2C[C@H](C(=O)Nc3cccc(OCc4nnc(-c5ccccc5)o4)c3)CC2=O)cc1 ZINC000033307290 524447028 /nfs/dbraw/zinc/44/70/28/524447028.db2.gz JMQGLDDOTCQMBA-LJQANCHMSA-N 0 0 484.512 4.316 50 0 JIAARN Cc1cc(C)cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000033254129 524457150 /nfs/dbraw/zinc/45/71/50/524457150.db2.gz YVRSRJZIQMDKKK-HXUWFJFHSA-N 0 0 471.623 4.115 50 0 JIAARN COc1ccccc1CNC(=O)C1CCN(c2c(NC(C)=O)c(C)nn2-c2ccc(Cl)cc2)CC1 ZINC000033069461 524459875 /nfs/dbraw/zinc/45/98/75/524459875.db2.gz IPDVNQVWZQADGQ-UHFFFAOYSA-N 0 0 496.011 4.334 50 0 JIAARN COc1ccc(NC(=O)C2CCN(c3nc(-c4ccc(OC)c(OC)c4)no3)CC2)cc1Cl ZINC000008591272 524472906 /nfs/dbraw/zinc/47/29/06/524472906.db2.gz WPVZZZRPRIFVEO-UHFFFAOYSA-N 0 0 472.929 4.271 50 0 JIAARN COc1ccccc1CNC(=O)[C@H]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1 ZINC000008591203 524477433 /nfs/dbraw/zinc/47/74/33/524477433.db2.gz IKNPHJJJFISHDW-SFHVURJKSA-N 0 0 465.554 4.138 50 0 JIAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1cccc(F)c1 ZINC000021854213 524479554 /nfs/dbraw/zinc/47/95/54/524479554.db2.gz YVGHIVOAEMUYMY-NDEPHWFRSA-N 0 0 484.531 4.433 50 0 JIAARN Cc1ccc(CN2c3cc(C(=O)OC[C@@H]4CCCO4)ccc3S(=O)(=O)c3ccccc3C2=O)cc1 ZINC000008599461 524484912 /nfs/dbraw/zinc/48/49/12/524484912.db2.gz PVAXFEYQWQMLML-NRFANRHFSA-N 0 0 491.565 4.324 50 0 JIAARN Cc1ccc(CNC(=O)CC2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1C ZINC000065062380 524497050 /nfs/dbraw/zinc/49/70/50/524497050.db2.gz CNWLOLHNMHJTPH-UHFFFAOYSA-N 0 0 485.469 4.235 50 0 JIAARN Cc1ccc(CNC(=O)C2CCN(c3nc4ccsc4c(=O)n3Cc3ccc(F)cc3)CC2)o1 ZINC000033302390 524498097 /nfs/dbraw/zinc/49/80/97/524498097.db2.gz NEKNRIJRWKQZMI-UHFFFAOYSA-N 0 0 480.565 4.080 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCCC[C@H]2C)cc1 ZINC000008608934 524509964 /nfs/dbraw/zinc/50/99/64/524509964.db2.gz VYRQNRRWGCJAKD-QGZVFWFLSA-N 0 0 452.580 4.177 50 0 JIAARN COc1ccccc1Cn1c(CNS(=O)(=O)c2ccc(C(C)C)cc2)nc2cccnc21 ZINC000008600377 524518715 /nfs/dbraw/zinc/51/87/15/524518715.db2.gz FRHBDSJJLAMVJS-UHFFFAOYSA-N 0 0 450.564 4.090 50 0 JIAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000016448445 524519433 /nfs/dbraw/zinc/51/94/33/524519433.db2.gz MYMUTGSWYPOEQH-JOCHJYFZSA-N 0 0 489.528 4.079 50 0 JIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2cccc(F)c2)cc1 ZINC000009892327 524521820 /nfs/dbraw/zinc/52/18/20/524521820.db2.gz XTLFOJBWNFYSOK-QHCPKHFHSA-N 0 0 477.492 4.209 50 0 JIAARN C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000014358954 524531442 /nfs/dbraw/zinc/53/14/42/524531442.db2.gz PKRBOLLDVFJIKZ-SFHVURJKSA-N 0 0 458.605 4.090 50 0 JIAARN COc1ccc(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)c(OC)c1 ZINC000008933023 524533840 /nfs/dbraw/zinc/53/38/40/524533840.db2.gz KHUIJSZFGMPOKU-UHFFFAOYSA-N 0 0 468.513 4.055 50 0 JIAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)cc1Cl ZINC000071327225 524534518 /nfs/dbraw/zinc/53/45/18/524534518.db2.gz UECILCLGBCYKIN-UHFFFAOYSA-N 0 0 468.728 4.446 50 0 JIAARN COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)cc2C1=O ZINC000009720838 524534681 /nfs/dbraw/zinc/53/46/81/524534681.db2.gz ZAGMJJYEYPLWTM-UHFFFAOYSA-N 0 0 471.513 4.276 50 0 JIAARN Cc1cccc(N2CCN(C(=O)C3CCN(c4nccnc4Oc4ccccc4)CC3)CC2)c1C ZINC000021656343 524543575 /nfs/dbraw/zinc/54/35/75/524543575.db2.gz HQUQUKMZGXSHDO-UHFFFAOYSA-N 0 0 471.605 4.451 50 0 JIAARN Cc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)cc1 ZINC000008791825 524547369 /nfs/dbraw/zinc/54/73/69/524547369.db2.gz UUJQROBTMIJLHN-VVZHRXSXSA-N 0 0 479.646 4.191 50 0 biogenic JIAARN COc1ccccc1N1CCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)CC1 ZINC000009668397 524549277 /nfs/dbraw/zinc/54/92/77/524549277.db2.gz HUTLJHSTKMERRB-PIIWDFAUSA-N 0 0 494.595 4.459 50 0 JIAARN Cc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccsc4c(=O)n3-c3ccc(C)cc3)C2)o1 ZINC000033175426 524550448 /nfs/dbraw/zinc/55/04/48/524550448.db2.gz XPOPVDKHHUOQAK-SFHVURJKSA-N 0 0 462.575 4.190 50 0 JIAARN COc1ccccc1N1CCN(CC(=O)N2CCn3c4ccc(C)cc4c4c3[C@H]2CCC4)CC1 ZINC000012462603 524553591 /nfs/dbraw/zinc/55/35/91/524553591.db2.gz GMBVFZFURTVBMD-RUZDIDTESA-N 0 0 458.606 4.000 50 0 JIAARN COc1ccccc1N1CCN(Cn2nc(-c3ccc(F)cc3)n(C[C@H]3CCCO3)c2=S)CC1 ZINC000016076241 524556996 /nfs/dbraw/zinc/55/69/96/524556996.db2.gz YLNFLWUGWGTQGE-OAQYLSRUSA-N 0 0 483.613 4.187 50 0 JIAARN COc1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1OC ZINC000033128148 524585296 /nfs/dbraw/zinc/58/52/96/524585296.db2.gz XYFFELUPQKGOBU-CQSZACIVSA-N 0 0 459.955 4.331 50 0 JIAARN Cc1cccc(NC(=O)CCc2nc(CSc3n[nH]c(-c4ccc(F)cc4)n3)no2)c1C ZINC000033270963 524587738 /nfs/dbraw/zinc/58/77/38/524587738.db2.gz URALOTFDCXEVBW-UHFFFAOYSA-N 0 0 452.515 4.474 50 0 JIAARN COc1ccccc1NC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000008592611 524601257 /nfs/dbraw/zinc/60/12/57/524601257.db2.gz UNLAIQQOZGHJKA-OAQYLSRUSA-N 0 0 476.529 4.447 50 0 JIAARN COc1ccccc1NC(=O)Cn1nc(SC)c(-c2nc(-c3ccc(Cl)cc3)no2)c1N ZINC000046915016 524606089 /nfs/dbraw/zinc/60/60/89/524606089.db2.gz UHMNCSAHRMRQKI-UHFFFAOYSA-N 0 0 470.942 4.205 50 0 JIAARN COc1ccccc1NC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033106812 524610328 /nfs/dbraw/zinc/61/03/28/524610328.db2.gz YNYBGUUZEUOQBQ-AWEZNQCLSA-N 0 0 455.515 4.350 50 0 JIAARN COc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 ZINC000064986143 524621385 /nfs/dbraw/zinc/62/13/85/524621385.db2.gz FQLQTOSGHSMCGP-QFIPXVFZSA-N 0 0 472.950 4.252 50 0 JIAARN COc1ccccc1NC(=O)[C@@H]1Sc2nnc(COc3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000020445940 524622245 /nfs/dbraw/zinc/62/22/45/524622245.db2.gz DGKPREAKNDGIEG-DHIUTWEWSA-N 0 0 473.558 4.264 50 0 JIAARN COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1Cl ZINC000033325630 524622802 /nfs/dbraw/zinc/62/28/02/524622802.db2.gz WKFSOSSJVDAEJJ-KRWDZBQOSA-N 0 0 459.955 4.132 50 0 JIAARN Cc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC3)cc1 ZINC000033140438 524625532 /nfs/dbraw/zinc/62/55/32/524625532.db2.gz YRNMCKBIOUQWPY-UHFFFAOYSA-N 0 0 479.524 4.211 50 0 JIAARN Cc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)c2cc(C)c(C)cc2C)CC3)cc1 ZINC000033140450 524626554 /nfs/dbraw/zinc/62/65/54/524626554.db2.gz FBPXSHSLQUHGPG-UHFFFAOYSA-N 0 0 453.608 4.118 50 0 JIAARN COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000008654534 524632201 /nfs/dbraw/zinc/63/22/01/524632201.db2.gz JKCGJJGKXRDZGM-UHFFFAOYSA-N 0 0 493.541 4.196 50 0 JIAARN COc1ccc(NC(=O)c2ccc(CN3c4ccccc4C(=O)N4CCC[C@H]4C3=O)cc2)cc1F ZINC000021711752 524634102 /nfs/dbraw/zinc/63/41/02/524634102.db2.gz VIYWTCLAMMSZRO-QHCPKHFHSA-N 0 0 473.504 4.238 50 0 JIAARN COc1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccc(I)cc2)c1 ZINC000002881416 524649136 /nfs/dbraw/zinc/64/91/36/524649136.db2.gz OTINYNUZBBUJRA-UHFFFAOYSA-N 0 0 462.243 4.397 50 0 JIAARN COc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000016469009 524653034 /nfs/dbraw/zinc/65/30/34/524653034.db2.gz BHUVMPSEPGZDHP-UHFFFAOYSA-N 0 0 488.997 4.020 50 0 JIAARN COc1ccc(NC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)cc1OC ZINC000033271756 524654524 /nfs/dbraw/zinc/65/45/24/524654524.db2.gz OQNGMRIALJSSMF-UHFFFAOYSA-N 0 0 461.375 4.219 50 0 JIAARN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)c2ccccc2O1 ZINC000041158031 524658438 /nfs/dbraw/zinc/65/84/38/524658438.db2.gz AVQLOAQKTLDQPW-INIZCTEOSA-N 0 0 472.950 4.334 50 0 JIAARN COc1ccccc1OCCNC(=O)C1CCN(c2nccn3nc(-c4ccc(C)c(C)c4)cc23)CC1 ZINC000033266683 524672783 /nfs/dbraw/zinc/67/27/83/524672783.db2.gz KGYOXTZDIXBEIN-UHFFFAOYSA-N 0 0 499.615 4.433 50 0 JIAARN COc1ccc(NCc2cc3cc4c(cc3n(CC(=O)Nc3cccc(F)c3)c2=O)OCO4)cc1 ZINC000008594450 524678894 /nfs/dbraw/zinc/67/88/94/524678894.db2.gz WUDPORGNKIYYHN-UHFFFAOYSA-N 0 0 475.476 4.129 50 0 aggregator JIAARN COc1ccc(NCc2cccn2-c2nnc(N3CCN(c4ccccc4)CC3)s2)c(OC)c1 ZINC000021880759 524681004 /nfs/dbraw/zinc/68/10/04/524681004.db2.gz FOBQDJKNMHEMQH-UHFFFAOYSA-N 0 0 476.606 4.285 50 0 JIAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)C(=O)NC(C)(C)C ZINC000036122513 524682068 /nfs/dbraw/zinc/68/20/68/524682068.db2.gz KSGAXGUANVBJIT-HXUWFJFHSA-N 0 0 485.650 4.482 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(OC)c(OC)c3)ccc2C)cc1 ZINC000005941942 524685265 /nfs/dbraw/zinc/68/52/65/524685265.db2.gz WMHCXPGZLVXMLT-VGOFMYFVSA-N 0 0 482.558 4.474 50 0 JIAARN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2C)c1C ZINC000016362133 524689350 /nfs/dbraw/zinc/68/93/50/524689350.db2.gz ZKMVUPOJGNPBDX-UHFFFAOYSA-N 0 0 477.630 4.371 50 0 JIAARN COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)o1 ZINC000008597299 524699182 /nfs/dbraw/zinc/69/91/82/524699182.db2.gz AWCVKOCSTKEVJV-UHFFFAOYSA-N 0 0 488.993 4.186 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)no1 ZINC000021702672 524742505 /nfs/dbraw/zinc/74/25/05/524742505.db2.gz QSDAJFRMJUKXGV-UHFFFAOYSA-N 0 0 474.970 4.054 50 0 JIAARN Cc1ccc(Cn2c(=O)c(N3CCC[C@@H](C(=O)Nc4ccc(C)c(F)c4)C3)nc3cccnc32)cc1 ZINC000033259704 524763563 /nfs/dbraw/zinc/76/35/63/524763563.db2.gz OZUYFJQNUXDIOT-OAQYLSRUSA-N 0 0 485.563 4.451 50 0 JIAARN Cc1ccc(Cn2c(=O)c3ccccc3n(Cc3nc(-c4ccc(F)c(Cl)c4)no3)c2=O)cc1 ZINC000064999037 524764458 /nfs/dbraw/zinc/76/44/58/524764458.db2.gz ZMJFLTYCBKZBEA-UHFFFAOYSA-N 0 0 476.895 4.411 50 0 JIAARN Cc1ccc(Cn2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)NCCC(C)C)C2)cc1 ZINC000033302682 524764946 /nfs/dbraw/zinc/76/49/46/524764946.db2.gz NFEBYOUQVOYILW-HXUWFJFHSA-N 0 0 452.624 4.193 50 0 JIAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC(C(=O)NCc4ccccc4)CC3)c2=O)cc1 ZINC000022585447 524768547 /nfs/dbraw/zinc/76/85/47/524768547.db2.gz CTRWIZOMXARLOQ-UHFFFAOYSA-N 0 0 466.585 4.286 50 0 JIAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC[C@@H](C(=O)NCc4ccc(F)cc4)C3)c2=O)cc1 ZINC000022599733 524771419 /nfs/dbraw/zinc/77/14/19/524771419.db2.gz HPYJSKCOWDYIES-HSZRJFAPSA-N 0 0 484.575 4.425 50 0 JIAARN C[C@@H]1CN(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(SC(F)F)cc2)C[C@H](C)O1 ZINC000089930246 524791197 /nfs/dbraw/zinc/79/11/97/524791197.db2.gz IELVOFWVYHFYSC-GASCZTMLSA-N 0 0 491.589 4.372 50 0 JIAARN COc1ccc(OC)c(CNC(=O)[C@@H]2COc3ccc(NC(=O)Nc4ccccc4)cc3C2)c1 ZINC000033121684 524833010 /nfs/dbraw/zinc/83/30/10/524833010.db2.gz CZNDLLBCVPYJTN-IBGZPJMESA-N 0 0 461.518 4.215 50 0 JIAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)c1 ZINC000033168753 524833198 /nfs/dbraw/zinc/83/31/98/524833198.db2.gz DVAUCKOGPUWYGN-IBGZPJMESA-N 0 0 478.618 4.486 50 0 JIAARN COc1ccc(OC)c(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000001174361 524841463 /nfs/dbraw/zinc/84/14/63/524841463.db2.gz LQFJKMXEYJRMJV-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN Cc1cccc([C@@H]2c3cc(OCC(=O)N4CCOCC4)ccc3CCN2C(=O)c2ccccc2)c1 ZINC000037604643 524855857 /nfs/dbraw/zinc/85/58/57/524855857.db2.gz AGJLLGZYVBBIQX-MUUNZHRXSA-N 0 0 470.569 4.021 50 0 JIAARN Cc1ccc(F)cc1NC(=O)CCc1nc(CSc2n[nH]c(-c3cccc(F)c3)n2)no1 ZINC000033270957 524857504 /nfs/dbraw/zinc/85/75/04/524857504.db2.gz UVRCGHSNFISBDL-UHFFFAOYSA-N 0 0 456.478 4.305 50 0 JIAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cccnc4)cs3)cc2)C1 ZINC000008660852 524886700 /nfs/dbraw/zinc/88/67/00/524886700.db2.gz MNTADZLHURWNIQ-HOTGVXAUSA-N 0 0 456.593 4.124 50 0 JIAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)NCc2ccc(F)cc2)c1 ZINC000036045539 524897986 /nfs/dbraw/zinc/89/79/86/524897986.db2.gz IPSZMCZBVFYMBI-DQEYMECFSA-N 0 0 476.548 4.324 50 0 JIAARN COc1ccc(OC)c2c(C)cc(N3CCN(C(=O)COc4ccc5ccccc5c4)CC3)nc12 ZINC000012446551 524920723 /nfs/dbraw/zinc/92/07/23/524920723.db2.gz XHRIERLRNZBQIB-UHFFFAOYSA-N 0 0 471.557 4.441 50 0 JIAARN COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCC2)N(Cc2ccccc2OC)C1=O ZINC000021857736 524921772 /nfs/dbraw/zinc/92/17/72/524921772.db2.gz KEQZAHHDPLVCJB-NDEPHWFRSA-N 0 0 491.588 4.141 50 0 JIAARN COc1ccc(OC)c2c1cc1n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2ccco2)C1=O ZINC000021856353 524924335 /nfs/dbraw/zinc/92/43/35/524924335.db2.gz UQTIIKMFETXIDP-AREMUKBSSA-N 0 0 465.550 4.115 50 0 JIAARN COc1ccc(OC)c2c1cc1n2C[C@](C)(C(=O)NC2CCCCCC2)N(Cc2cccnc2)C1=O ZINC000021857829 524924934 /nfs/dbraw/zinc/92/49/34/524924934.db2.gz HOYKSUJLWKESJQ-MUUNZHRXSA-N 0 0 490.604 4.307 50 0 JIAARN COc1ccc(OCCN2CCN([C@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 ZINC000022786115 524956743 /nfs/dbraw/zinc/95/67/43/524956743.db2.gz DQDJACXFMWZMEX-JOCHJYFZSA-N 0 0 459.590 4.386 50 0 JIAARN COc1ccc(Oc2c(CN(C[C@@H](C)O)C[C@@H]3CCCO3)c(C)nn2-c2ccccc2)cc1 ZINC000036304592 524989305 /nfs/dbraw/zinc/98/93/05/524989305.db2.gz GWIQHDFUMKBTKI-DVECYGJZSA-N 0 0 451.567 4.343 50 0 JIAARN C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2cn(-c3cccc(Br)c3)nn2)CC1 ZINC000040135624 524992343 /nfs/dbraw/zinc/99/23/43/524992343.db2.gz JPXIOUNNMZJOBM-INIZCTEOSA-N 0 0 466.383 4.086 50 0 JIAARN COc1ccc(Oc2ccc(Cl)cc2N[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000016046028 524994095 /nfs/dbraw/zinc/99/40/95/524994095.db2.gz DFFYNNQFBYLJTN-AWEZNQCLSA-N 0 0 475.954 4.227 50 0 JIAARN Cc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)cc1F ZINC000008600351 525025896 /nfs/dbraw/zinc/02/58/96/525025896.db2.gz QMRATQOKWSDYID-UHFFFAOYSA-N 0 0 487.597 4.132 50 0 JIAARN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccccc3SC)Oc3ccccc32)cc1 ZINC000064986321 525046201 /nfs/dbraw/zinc/04/62/01/525046201.db2.gz ZYXKRAGAVCHASV-NRFANRHFSA-N 0 0 470.572 4.012 50 0 JIAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000064972299 525049739 /nfs/dbraw/zinc/04/97/39/525049739.db2.gz BQDKMIVCJQELLJ-QHCPKHFHSA-N 0 0 470.978 4.411 50 0 JIAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000064972340 525050900 /nfs/dbraw/zinc/05/09/00/525050900.db2.gz VZRLPQABKCHARM-DEOSSOPVSA-N 0 0 450.560 4.066 50 0 JIAARN Cc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc1 ZINC000034672004 525063037 /nfs/dbraw/zinc/06/30/37/525063037.db2.gz COQNONRZFQTAPW-UHFFFAOYSA-N 0 0 464.953 4.023 50 0 JIAARN C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)C1=O ZINC000021883042 525067062 /nfs/dbraw/zinc/06/70/62/525067062.db2.gz VCSKITUTBZJTNT-OAHLLOKOSA-N 0 0 472.526 4.301 50 0 JIAARN C[C@@H]1CN(c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cn2)C[C@H](C)O1 ZINC000048275870 525067040 /nfs/dbraw/zinc/06/70/40/525067040.db2.gz JKZWHFUNFZIQCS-OYRHEFFESA-N 0 0 451.592 4.086 50 0 JIAARN Cc1ccc(NC(=O)CSCc2nc3c(nnn3Cc3ccccc3Cl)c(=O)[nH]2)c(C)c1 ZINC000012493482 525074826 /nfs/dbraw/zinc/07/48/26/525074826.db2.gz SOGNBYRZSMSGLE-UHFFFAOYSA-N 0 0 468.970 4.117 50 0 JIAARN Cc1ccc(NC(=O)CSc2ccc(N3CCC(C(=O)N4CCCCC4)CC3)nn2)c(Cl)c1 ZINC000035455845 525076109 /nfs/dbraw/zinc/07/61/09/525076109.db2.gz IMAKLZXMBTVNFI-UHFFFAOYSA-N 0 0 488.057 4.398 50 0 JIAARN Cc1ccc(NC(=O)CSc2nc3c4cccnc4sc3c(=O)n2C[C@H]2CCCO2)cc1F ZINC000045922435 525077707 /nfs/dbraw/zinc/07/77/07/525077707.db2.gz DOSXYBRUKLMHCT-OAHLLOKOSA-N 0 0 484.578 4.364 50 0 JIAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000012414603 525080916 /nfs/dbraw/zinc/08/09/16/525080916.db2.gz KNJRQVLQWPHYEO-UHFFFAOYSA-N 0 0 498.608 4.376 50 0 JIAARN Cc1ccc(NC(=O)N2CCC([C@H](NC(=O)c3cccs3)C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000036213879 525122020 /nfs/dbraw/zinc/12/20/20/525122020.db2.gz BXRSRQFGJMDDPA-AVRDEDQJSA-N 0 0 470.639 4.260 50 0 JIAARN Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1 ZINC000017011879 525163638 /nfs/dbraw/zinc/16/36/38/525163638.db2.gz YLPHFARCIZWHQZ-UHFFFAOYSA-N 0 0 461.888 4.283 50 0 JIAARN CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)ccc21 ZINC000017960251 525172335 /nfs/dbraw/zinc/17/23/35/525172335.db2.gz BZPYOISATAFJGQ-UHFFFAOYSA-N 0 0 455.605 4.028 50 0 JIAARN COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000021709585 525173598 /nfs/dbraw/zinc/17/35/98/525173598.db2.gz YSRZBELPLRZJSN-NFBKMPQASA-N 0 0 467.566 4.138 50 0 JIAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000014086042 525173883 /nfs/dbraw/zinc/17/38/83/525173883.db2.gz YORHLOYEEJKDBJ-HOCLYGCPSA-N 0 0 458.477 4.123 50 0 JIAARN Cc1ccc(NC(=O)[C@@H](Nc2ccc(NC(=O)CN3CCOCC3)cc2)c2ccccc2)cc1 ZINC000023627540 525197664 /nfs/dbraw/zinc/19/76/64/525197664.db2.gz AACYIMVQQOUSBL-SANMLTNESA-N 0 0 458.562 4.058 50 0 JIAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1cccs1 ZINC000021851747 525202853 /nfs/dbraw/zinc/20/28/53/525202853.db2.gz QTLUFFRUEWMCHL-XMMPIXPASA-N 0 0 452.580 4.458 50 0 JIAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(cc(F)cc4F)s3)cc2)C1 ZINC000017244805 525213130 /nfs/dbraw/zinc/21/31/30/525213130.db2.gz KFMQEMWTWUHSCA-CHWSQXEVSA-N 0 0 465.547 4.493 50 0 JIAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)cc1OC(C)C ZINC000021726846 525237305 /nfs/dbraw/zinc/23/73/05/525237305.db2.gz GHRMYPYMXYMWMB-IBGZPJMESA-N 0 0 488.523 4.442 50 0 JIAARN COc1ccc([C@@H]2OC(=O)/C(=C3/OC(=O)c4ccccc43)c3cc(OC)c(OC)cc32)cc1OC ZINC000012296304 525268825 /nfs/dbraw/zinc/26/88/25/525268825.db2.gz PZSAMEADTHHWPZ-NXLSWJSLSA-N 0 0 474.465 4.406 50 0 biogenic JIAARN Cc1ccccc1NS(=O)(=O)c1ccc2ncc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(O)c2c1 ZINC000006181462 525271806 /nfs/dbraw/zinc/27/18/06/525271806.db2.gz XWMSIJUDDRVRAM-GIMINZRKSA-N 0 0 467.591 4.192 50 0 JIAARN COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccccc3OC)CCC(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000004759712 525272232 /nfs/dbraw/zinc/27/22/32/525272232.db2.gz ZVOPTCCLQNVHKC-WXVAWEFUSA-N 0 0 488.540 4.233 50 0 JIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N23)cc1 ZINC000002092132 525276856 /nfs/dbraw/zinc/27/68/56/525276856.db2.gz YAVNDYNYFZYWNJ-RPLLCQBOSA-N 0 0 451.526 4.062 50 0 biogenic JIAARN CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCCc2c[nH]c3ccccc23)s1 ZINC000008912384 525283916 /nfs/dbraw/zinc/28/39/16/525283916.db2.gz OTEDEHITODOHKQ-UHFFFAOYSA-N 0 0 496.035 4.169 50 0 JIAARN C[C@]1(O)CC(=O)[C@H](C(=O)OCc2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)OCc1ccccc1 ZINC000008438707 525302168 /nfs/dbraw/zinc/30/21/68/525302168.db2.gz BJFJOFPCYFADAC-QNVWVOQGSA-N 0 0 472.537 4.213 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](CC(=O)N2CCCC2)CS3)cc1Cl ZINC000033290357 525304227 /nfs/dbraw/zinc/30/42/27/525304227.db2.gz UDMVBWOQPQWMQI-OAHLLOKOSA-N 0 0 494.038 4.122 50 0 JIAARN COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(c3ncnc4nn(-c5ccc(C)cc5)cc43)C2)cc1 ZINC000033273782 525311320 /nfs/dbraw/zinc/31/13/20/525311320.db2.gz YLSYDDBFQDXOMN-PZJWPPBQSA-N 0 0 470.577 4.226 50 0 JIAARN COc1ccc([C@H](C)NC(=O)c2ccc(CN3c4ccccc4C(=O)N4CCC[C@H]4C3=O)cc2)cc1 ZINC000035458267 525315071 /nfs/dbraw/zinc/31/50/71/525315071.db2.gz DFDIWMLCVXNNHW-SIBVEZHUSA-N 0 0 483.568 4.338 50 0 JIAARN Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)ccc1Cl ZINC000002855790 525365079 /nfs/dbraw/zinc/36/50/79/525365079.db2.gz VYXQPEZNPNMPTL-UHFFFAOYSA-N 0 0 458.967 4.187 50 0 JIAARN Cc1cc(OCC(=O)Nc2ccc3c(c2)nc(CCNC(=O)C2CCCC2)n3C)ccc1Cl ZINC000033026153 525365824 /nfs/dbraw/zinc/36/58/24/525365824.db2.gz YYOLPHMMVOUENF-UHFFFAOYSA-N 0 0 468.985 4.402 50 0 JIAARN Cc1ccccc1[C@@]1(CC(=O)N(C)[C@H](C)c2ccc3c(c2)OCCO3)CC(=O)N(C2CCCC2)C1=O ZINC000014996009 525396294 /nfs/dbraw/zinc/39/62/94/525396294.db2.gz APQWHEJXGDMIHI-ACSYHNTCSA-N 0 0 490.600 4.315 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnnn2-c2ccccc2)cc1 ZINC000008861085 525407085 /nfs/dbraw/zinc/40/70/85/525407085.db2.gz XOZHWDKGDGQXSQ-HSZRJFAPSA-N 0 0 470.558 4.141 50 0 JIAARN C[C@@H](NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000014116446 525408193 /nfs/dbraw/zinc/40/81/93/525408193.db2.gz LVSOFSPXYZTEFJ-DNVCBOLYSA-N 0 0 473.645 4.242 50 0 JIAARN Cc1[nH]c(C(=O)N2CCC(CC(=O)N[C@@H](C)c3ccccc3)CC2)c(C)c1C(=O)OC(C)C ZINC000035502239 525411088 /nfs/dbraw/zinc/41/10/88/525411088.db2.gz UACPSRXKXCMQBZ-SFHVURJKSA-N 0 0 453.583 4.316 50 0 JIAARN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)N[C@H](C)CCc3ccccc3)C2)c(C)c1C(=O)OC(C)C ZINC000085621504 525411325 /nfs/dbraw/zinc/41/13/25/525411325.db2.gz VQCGJVHDCFXCGM-XMSQKQJNSA-N 0 0 467.610 4.186 50 0 JIAARN COc1ccc([C@H]2Nc3ccccc3-n3c(-c4ccccc4F)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000021659246 525429992 /nfs/dbraw/zinc/42/99/92/525429992.db2.gz MTFBRBPLEKCMTL-HSZRJFAPSA-N 0 0 482.515 4.358 50 0 JIAARN Cc1cc(SCC(=O)N2CCc3ccccc32)nc2ccc(S(=O)(=O)N3CCCCC3)cc12 ZINC000033087671 525431150 /nfs/dbraw/zinc/43/11/50/525431150.db2.gz FXUJXSALASGSEE-UHFFFAOYSA-N 0 0 481.643 4.399 50 0 JIAARN Cc1cccn2cc(CN3CCN(C(=O)c4cccc(-c5ccccc5F)c4)CCC3=O)nc12 ZINC000012242625 525468963 /nfs/dbraw/zinc/46/89/63/525468963.db2.gz WGLYEGBHBHCKES-UHFFFAOYSA-N 0 0 456.521 4.324 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2cccc(Cl)c2Cl)cc1 ZINC000006244911 525507481 /nfs/dbraw/zinc/50/74/81/525507481.db2.gz NPLLLZQFADUKLF-UHFFFAOYSA-N 0 0 464.374 4.209 50 0 JIAARN COc1ccc2c(c1)C(N1CCCN(S(=O)(=O)c3cccc(F)c3)CC1)=Nc1ccccc1O2 ZINC000034814690 525508657 /nfs/dbraw/zinc/50/86/57/525508657.db2.gz TWVVQQWSEZBJGA-UHFFFAOYSA-N 0 0 481.549 4.415 50 0 JIAARN Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(CC(=O)NCc3ccco3)c(=O)c12 ZINC000045971877 525510176 /nfs/dbraw/zinc/51/01/76/525510176.db2.gz GPANPMJBOZAWLH-UHFFFAOYSA-N 0 0 481.921 4.046 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(Br)cc4)no3)CC2)cc1 ZINC000012415222 525524819 /nfs/dbraw/zinc/52/48/19/525524819.db2.gz YRVYVLJKGHSOCQ-UHFFFAOYSA-N 0 0 462.369 4.376 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)cc1C ZINC000033273299 525524977 /nfs/dbraw/zinc/52/49/77/525524977.db2.gz VUSQLAVWNMGQEM-UHFFFAOYSA-N 0 0 474.583 4.115 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000008839831 525537800 /nfs/dbraw/zinc/53/78/00/525537800.db2.gz ZXTQKTCTSFUPDW-QHCPKHFHSA-N 0 0 460.559 4.330 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(F)c(F)c3)Oc3ccc(C)cc32)cc1 ZINC000064985928 525557847 /nfs/dbraw/zinc/55/78/47/525557847.db2.gz YYYFYPIYASLQTP-JOCHJYFZSA-N 0 0 458.486 4.177 50 0 JIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1cccc(OC)c1)C(=O)N2Cc1cccc(OC)c1 ZINC000036166455 525583522 /nfs/dbraw/zinc/58/35/22/525583522.db2.gz SKGRCMLYNOARNG-HHHXNRCGSA-N 0 0 490.581 4.301 50 0 JIAARN Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cnn1-c1ncc(C)c(-c2cccs2)n1 ZINC000012247181 525584904 /nfs/dbraw/zinc/58/49/04/525584904.db2.gz TUXKLZPSWCFWMW-UHFFFAOYSA-N 0 0 462.554 4.109 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC([NH+]3CCCCC3)CC2)c(C)c1 ZINC000033254024 525595271 /nfs/dbraw/zinc/59/52/71/525595271.db2.gz LZPGTVGQIKDPBT-UHFFFAOYSA-N 0 0 471.623 4.257 50 0 JIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)NCc1ccccc1)C(=O)N2Cc1cccc(OC)c1 ZINC000036163287 525596087 /nfs/dbraw/zinc/59/60/87/525596087.db2.gz KAXJASNDOIKPPN-MHZLTWQESA-N 0 0 489.597 4.362 50 0 JIAARN Cc1c(C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)sc2ncnc(NCCc3ccccc3)c12 ZINC000014996101 525598671 /nfs/dbraw/zinc/59/86/71/525598671.db2.gz NPTRKOPHFIAPEU-UXHICEINSA-N 0 0 485.613 4.076 50 0 JIAARN COc1ccc2c(c1)c(CC(=O)OCc1nnc(C)o1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000022747400 525601874 /nfs/dbraw/zinc/60/18/74/525601874.db2.gz AAWRHJFMVKICSI-UHFFFAOYSA-N 0 0 453.882 4.278 50 0 JIAARN COc1ccc2c(c1)c(NC(C)=O)c1n2C[C@](C)(C(=O)NC2CCCCC2)N(C2CCCC2)C1=O ZINC000021866008 525602113 /nfs/dbraw/zinc/60/21/13/525602113.db2.gz KXSLIPBNJAZQRT-HHHXNRCGSA-N 0 0 480.609 4.214 50 0 JIAARN Cc1ccc(S(=O)(=O)c2cc3cc(Br)cc(Br)c3nc2N)cc1 ZINC000020386714 525632488 /nfs/dbraw/zinc/63/24/88/525632488.db2.gz XDHQROXGSBXVFV-UHFFFAOYSA-N 0 0 456.159 4.483 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC[C@@H]1CCCO1)N([C@H]1CCCc2ccccc21)C3=O ZINC000033249188 525646541 /nfs/dbraw/zinc/64/65/41/525646541.db2.gz ITFMLFNTGBDAOX-SSLSWHBASA-N 0 0 487.600 4.237 50 0 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Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN(c5ccccc5)CC4)nc3n2)cc1 ZINC000021660524 525731342 /nfs/dbraw/zinc/73/13/42/525731342.db2.gz YEIRDYUIVKPYDU-UHFFFAOYSA-N 0 0 466.467 4.081 50 0 JIAARN COc1cccc(-c2nn(C)cc2-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2C)c1 ZINC000065099178 525732273 /nfs/dbraw/zinc/73/22/73/525732273.db2.gz BCQQVBQYGBVHNH-UHFFFAOYSA-N 0 0 468.970 4.275 50 0 JIAARN COc1cccc(-c2nnc(SCC(=O)N(C)Cc3ccc(C)o3)n2Cc2ccco2)c1 ZINC000008704039 525733550 /nfs/dbraw/zinc/73/35/50/525733550.db2.gz VHUSZZFHORQAQX-UHFFFAOYSA-N 0 0 452.536 4.247 50 0 JIAARN Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC(C)C)cc5)no4)ncn3n2)c(C)c1 ZINC000049004317 525739156 /nfs/dbraw/zinc/73/91/56/525739156.db2.gz FXFMBOAWXYNVRY-UHFFFAOYSA-N 0 0 456.506 4.060 50 0 JIAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CCC(C)C)C(=O)c4ccccc4)CC3)nn2)cc1 ZINC000036069896 525755379 /nfs/dbraw/zinc/75/53/79/525755379.db2.gz BVLWYYRNJLZZIG-UHFFFAOYSA-N 0 0 485.632 4.289 50 0 JIAARN Cc1ccc(-c2ccc3nnc(CCC(=O)NCc4ccc(Br)cc4)n3n2)cc1C ZINC000033309580 525756202 /nfs/dbraw/zinc/75/62/02/525756202.db2.gz LLOGBYCKDOYDPW-UHFFFAOYSA-N 0 0 464.367 4.420 50 0 JIAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000046124837 525783084 /nfs/dbraw/zinc/78/30/84/525783084.db2.gz DIOJNDAPLBTANI-OAHLLOKOSA-N 0 0 477.011 4.321 50 0 JIAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c3ccccc3c(-n3cccc3)c2C(=O)N1Cc1ccco1 ZINC000021868681 525789727 /nfs/dbraw/zinc/78/97/27/525789727.db2.gz BORKROGBMSPLDJ-MHZLTWQESA-N 0 0 456.546 4.499 50 0 JIAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1cccc(Br)c1 ZINC000021861959 525790532 /nfs/dbraw/zinc/79/05/32/525790532.db2.gz CFGKBIFDSOQVGD-DEOSSOPVSA-N 0 0 481.394 4.272 50 0 JIAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000021851202 525793845 /nfs/dbraw/zinc/79/38/45/525793845.db2.gz BOZRWDIPJLXIGZ-SANMLTNESA-N 0 0 492.601 4.204 50 0 JIAARN COc1cccc(C2=NO[C@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)c1 ZINC000020274137 525858272 /nfs/dbraw/zinc/85/82/72/525858272.db2.gz 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O=C(c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1)N1CCc2ccccc2C1 ZINC000000960057 553886717 /nfs/dbraw/zinc/88/67/17/553886717.db2.gz ZMEDSBDGWDIAIJ-UHFFFAOYSA-N 0 0 471.944 4.316 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000000983476 553892426 /nfs/dbraw/zinc/89/24/26/553892426.db2.gz GQZAOYNTYWBYFB-UHFFFAOYSA-N 0 0 450.988 4.313 50 0 JIAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001112354 553909473 /nfs/dbraw/zinc/90/94/73/553909473.db2.gz MEJFPWDMQQOTSI-UHFFFAOYSA-N 0 0 454.932 4.389 50 0 JIAARN CCCS(=O)(=O)c1ccc(COC(=O)CCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000001123917 553912828 /nfs/dbraw/zinc/91/28/28/553912828.db2.gz BMGGGKMTSOCNFB-UHFFFAOYSA-N 0 0 457.470 4.351 50 0 JIAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(I)cc3C)n2C)cc1 ZINC000001124248 553912841 /nfs/dbraw/zinc/91/28/41/553912841.db2.gz SCURQNLWXKVZHM-UHFFFAOYSA-N 0 0 478.359 4.434 50 0 JIAARN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NC1CCCCCC1 ZINC000001150258 553916718 /nfs/dbraw/zinc/91/67/18/553916718.db2.gz LXZSLKZKFTWIEZ-UHFFFAOYSA-N 0 0 465.413 4.483 50 0 JIAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000001150122 553916782 /nfs/dbraw/zinc/91/67/82/553916782.db2.gz BXCFCXHVGYUFCG-HSZRJFAPSA-N 0 0 468.600 4.180 50 0 JIAARN CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1 ZINC000001174475 553925091 /nfs/dbraw/zinc/92/50/91/553925091.db2.gz CZFWPQMVBXZWJD-UHFFFAOYSA-N 0 0 461.547 4.263 50 0 JIAARN O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1cccc(I)c1 ZINC000002024795 554008836 /nfs/dbraw/zinc/00/88/36/554008836.db2.gz CCCBOTQQYZULSC-ZROIWOOFSA-N 0 0 454.061 4.398 50 0 JIAARN COC(=O)[C@](NNc1cccc(Cl)c1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000002050385 554010831 /nfs/dbraw/zinc/01/08/31/554010831.db2.gz VPQVLXBFRPYSMO-MRXNPFEDSA-N 0 0 470.662 4.425 50 0 JIAARN CCCOC(=O)c1ccc(NC(=S)NC(=O)c2cc(Br)ccc2OC)cc1 ZINC000002052390 554011698 /nfs/dbraw/zinc/01/16/98/554011698.db2.gz BVLRWJSTSQZVQP-UHFFFAOYSA-N 0 0 451.342 4.151 50 0 JIAARN O=C(CCCCCN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc(Br)cc1 ZINC000002062806 554018382 /nfs/dbraw/zinc/01/83/82/554018382.db2.gz WFTSLKKHMLJGIN-UHFFFAOYSA-N 0 0 458.308 4.032 50 0 JIAARN CCOc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002064819 554019768 /nfs/dbraw/zinc/01/97/68/554019768.db2.gz KWDAOYRGTLXBIV-HXUWFJFHSA-N 0 0 452.576 4.466 50 0 JIAARN CCOC(=O)c1c(NC(=S)N[C@H](NC(=O)CC)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000002071628 554022469 /nfs/dbraw/zinc/02/24/69/554022469.db2.gz RZPGFEAQQIJFTM-HNNXBMFYSA-N 0 0 486.874 4.313 50 0 JIAARN CCCOc1ccc(/C=C2/N=C(c3cccc(I)c3)OC2=O)cc1OC ZINC000002080957 554026693 /nfs/dbraw/zinc/02/66/93/554026693.db2.gz PCNKAYFSUIDFQI-MHWRWJLKSA-N 0 0 463.271 4.433 50 0 JIAARN CCOc1ccccc1N(CC(=O)NCCSCc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000002085318 554030811 /nfs/dbraw/zinc/03/08/11/554030811.db2.gz SKWOVCOJALKOIB-UHFFFAOYSA-N 0 0 491.462 4.208 50 0 JIAARN COc1ccc(CN2CC(=O)N3[C@H](c4ccc(OC)cc4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002093432 554037026 /nfs/dbraw/zinc/03/70/26/554037026.db2.gz ZETONVCQJKAJOK-LBNVMWSVSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2)cc1 ZINC000002093698 554037300 /nfs/dbraw/zinc/03/73/00/554037300.db2.gz MNKJOVKLCPTTPH-DEOSSOPVSA-N 0 0 491.565 4.213 50 0 biogenic JIAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)CCCCCNS(=O)(=O)c3ccc(C)cc3)c12 ZINC000002093978 554037769 /nfs/dbraw/zinc/03/77/69/554037769.db2.gz CDVNFKMEAIVLJD-UHFFFAOYSA-N 0 0 471.575 4.417 50 0 biogenic JIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N23)cc1OC ZINC000002096727 554040859 /nfs/dbraw/zinc/04/08/59/554040859.db2.gz FWMJRHTXZIXOPB-NEKDWFFYSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4cccs4)CC(=O)N32)cc1OC ZINC000002097953 554041437 /nfs/dbraw/zinc/04/14/37/554041437.db2.gz ZSVWIIKYVPGYAZ-LVXARBLLSA-N 0 0 487.581 4.132 50 0 biogenic JIAARN CC[C@H](C)N1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC(C)C)c(OC)c2)C1=O ZINC000002109244 554049075 /nfs/dbraw/zinc/04/90/75/554049075.db2.gz WOMCBWAMDPTTPR-KVFJWPORSA-N 0 0 475.589 4.447 50 0 biogenic JIAARN COc1ccc(CN2CC(=O)N3[C@H](c4ccccc4OC)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002118790 554054559 /nfs/dbraw/zinc/05/45/59/554054559.db2.gz KXALGAISZPTCBL-RBJSKKJNSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN CC(C)CN1CC(=O)N2[C@H](c3ccc(Br)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002123420 554057089 /nfs/dbraw/zinc/05/70/89/554057089.db2.gz XFPMHMVBFIZTRX-NZQKXSOJSA-N 0 0 466.379 4.271 50 0 biogenic JIAARN O=C(CSc1nnc(SCC(=O)Nc2ccc(F)cc2)s1)Nc1ccc(F)cc1 ZINC000002143958 554065391 /nfs/dbraw/zinc/06/53/91/554065391.db2.gz SHWBSIVSHSCKFD-UHFFFAOYSA-N 0 0 452.533 4.278 50 0 JIAARN CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 ZINC000002150250 554069347 /nfs/dbraw/zinc/06/93/47/554069347.db2.gz QLXKFUKKIMOPKW-LJQANCHMSA-N 0 0 457.548 4.079 50 0 biogenic JIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccccc4F)CC(=O)N32)c1 ZINC000002152637 554070823 /nfs/dbraw/zinc/07/08/23/554070823.db2.gz ZBBGGEQFPBJEPM-LSYYVWMOSA-N 0 0 483.543 4.243 50 0 biogenic JIAARN CCOC(=O)c1c(C)c(-c2ccccc2)sc1N[C@@](NC(=O)CC)(C(=O)OC)C(F)(F)F ZINC000002192056 554087159 /nfs/dbraw/zinc/08/71/59/554087159.db2.gz KUNFPTXFJVJTGV-FQEVSTJZSA-N 0 0 472.485 4.270 50 0 JIAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)NCc3cccs3)c3nc4ccccc4nc32)cc1 ZINC000002195710 554089208 /nfs/dbraw/zinc/08/92/08/554089208.db2.gz UINRTLUJOMZFRP-UHFFFAOYSA-N 0 0 471.542 4.324 50 0 JIAARN Cc1cc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc(=O)c2cc1Cl ZINC000002205567 554092852 /nfs/dbraw/zinc/09/28/52/554092852.db2.gz VDXREEXBGQUAEC-UHFFFAOYSA-N 0 0 474.966 4.428 50 0 JIAARN O=c1c(Cl)c(N2CCN(c3cccc(Cl)c3)CC2)cnn1-c1nc2ccccc2s1 ZINC000002210215 554094666 /nfs/dbraw/zinc/09/46/66/554094666.db2.gz NISXNVUUXRWKSV-UHFFFAOYSA-N 0 0 458.374 4.476 50 0 JIAARN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)ccc1OC(=O)c1ccc(F)cc1 ZINC000002219395 554099910 /nfs/dbraw/zinc/09/99/10/554099910.db2.gz FAGDSBOVRYGMMT-JOCHJYFZSA-N 0 0 481.549 4.347 50 0 JIAARN Cc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)cc(=O)c2c1 ZINC000002237808 554108461 /nfs/dbraw/zinc/10/84/61/554108461.db2.gz ABGXBIHMENOWSN-UHFFFAOYSA-N 0 0 462.527 4.487 50 0 JIAARN Nc1c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2 ZINC000002247712 554112379 /nfs/dbraw/zinc/11/23/79/554112379.db2.gz PARXNJBQJYVLBD-UHFFFAOYSA-N 0 0 471.904 4.468 50 0 JIAARN COc1ccc(-n2c(N)c(C(=O)NCc3ccc(C)cc3)c3nc4ccccc4nc32)c(OC)c1 ZINC000002251676 554115537 /nfs/dbraw/zinc/11/55/37/554115537.db2.gz HMFOFVYHDGMVMS-UHFFFAOYSA-N 0 0 467.529 4.412 50 0 JIAARN COc1ccccc1[C@H](CCNC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(OC(C)C)cc1 ZINC000002263363 554123064 /nfs/dbraw/zinc/12/30/64/554123064.db2.gz JQRYOUNOAWVGOS-JOCHJYFZSA-N 0 0 486.568 4.417 50 0 JIAARN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)Nc3ccc(C)cc3C)ccc1OCC)[nH]c2=O ZINC000002275424 554128516 /nfs/dbraw/zinc/12/85/16/554128516.db2.gz WVVQJBBWPZVOJZ-UHFFFAOYSA-N 0 0 495.605 4.092 50 0 JIAARN CCCOC[C@@H]1C[C@@]2(C[C@](C)(c3csc(Nc4ccccc4Cl)n3)OC2=O)C(=O)O1 ZINC000002277603 554129656 /nfs/dbraw/zinc/12/96/56/554129656.db2.gz ZCWMTUHGUHJIQN-JDORSLCVSA-N 0 0 450.944 4.431 50 0 JIAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000002279554 554130242 /nfs/dbraw/zinc/13/02/42/554130242.db2.gz SWTRLLRDWRXCSC-VLOXRPPESA-N 0 0 466.990 4.185 50 0 JIAARN COc1ccc(-n2c(N)c(C(=O)NCc3cc(OC)cc(OC)c3)c3nc4ccccc4nc32)cc1 ZINC000002282111 554131380 /nfs/dbraw/zinc/13/13/80/554131380.db2.gz CCYBOZPOSVCBLI-UHFFFAOYSA-N 0 0 483.528 4.112 50 0 JIAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000002305344 554141437 /nfs/dbraw/zinc/14/14/37/554141437.db2.gz WYKGOFHUDLNSOS-JNWJWRTLSA-N 0 0 480.589 4.244 50 0 JIAARN O=C(CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3)N1CCOCC1 ZINC000002329120 554150310 /nfs/dbraw/zinc/15/03/10/554150310.db2.gz SUIBMRWWJBYLFP-UHFFFAOYSA-N 0 0 462.600 4.346 50 0 JIAARN CCCSc1nc2sc3c(c2c(N2CCN(C(=O)OCC)CC2)n1)CC(C)(C)OC3 ZINC000002333176 554152394 /nfs/dbraw/zinc/15/23/94/554152394.db2.gz WBVCGVMTHQNJQN-UHFFFAOYSA-N 0 0 450.630 4.323 50 0 JIAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cc(OC)c(OC)c(OC)c2)s1 ZINC000002333764 554152760 /nfs/dbraw/zinc/15/27/60/554152760.db2.gz ZAEDDLBMSWPUOT-FQEVSTJZSA-N 0 0 493.541 4.291 50 0 JIAARN COc1cc(-c2noc(CCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc(OC)c1OC ZINC000002340262 554155615 /nfs/dbraw/zinc/15/56/15/554155615.db2.gz QAKOTTCIDCLGOJ-UHFFFAOYSA-N 0 0 451.401 4.353 50 0 JIAARN CSCC[C@H](c1nc2c3c4c(sc3ncn2n1)CCCC4)N1C(=O)c2ccccc2C1=O ZINC000002363774 554166787 /nfs/dbraw/zinc/16/67/87/554166787.db2.gz PTQUSVUZSKUCLM-MRXNPFEDSA-N 0 0 463.588 4.308 50 0 JIAARN O=c1/c(=C/c2cccnc2)sc2n1[C@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 ZINC000002364776 554167396 /nfs/dbraw/zinc/16/73/96/554167396.db2.gz PAZFMCSORGMFAB-IGSWSUAKSA-N 0 0 455.970 4.367 50 0 JIAARN O=C1c2cccnc2C(=O)N1c1ccc(Sc2ccc(N3C(=O)c4cccnc4C3=O)cc2)cc1 ZINC000002371835 554170919 /nfs/dbraw/zinc/17/09/19/554170919.db2.gz FOTGYGMPJISNPZ-UHFFFAOYSA-N 0 0 478.489 4.229 50 0 JIAARN CCn1c(=O)c2cc3c(nc2nc1SCC(=O)Nc1ccc(Cl)cc1)CC(C)(C)OC3 ZINC000002388761 554178793 /nfs/dbraw/zinc/17/87/93/554178793.db2.gz AWGRFHVWDOMMCB-UHFFFAOYSA-N 0 0 458.971 4.047 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3CC)CCCC4)cc1 ZINC000002393571 554180789 /nfs/dbraw/zinc/18/07/89/554180789.db2.gz DRKAOKBGUUQHLF-UHFFFAOYSA-N 0 0 483.619 4.134 50 0 JIAARN COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nnc(CC(C)C)s2)ccc1O ZINC000002417908 554196572 /nfs/dbraw/zinc/19/65/72/554196572.db2.gz MODLVUZKLHNXDP-FQEVSTJZSA-N 0 0 481.505 4.446 50 0 JIAARN CCOC(=O)N1CCN(c2nc(SCC)nc3sc4c(c32)C[C@](C)(CC)OC4)CC1 ZINC000002420465 554197853 /nfs/dbraw/zinc/19/78/53/554197853.db2.gz JLJTVNGPPMFJRD-NRFANRHFSA-N 0 0 450.630 4.323 50 0 JIAARN COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCOC(C)C)cc(OC)c1OC ZINC000002424250 554200135 /nfs/dbraw/zinc/20/01/35/554200135.db2.gz 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CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(OC)cc1OC)n2CC ZINC000006094879 554505021 /nfs/dbraw/zinc/50/50/21/554505021.db2.gz QGCJFJRIAYJNSE-UHFFFAOYSA-N 0 0 491.635 4.079 50 0 JIAARN O=C(C[C@H]1CS(=O)(=O)C[C@@H]1CC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000006142371 554508762 /nfs/dbraw/zinc/50/87/62/554508762.db2.gz IVXGHEXBDSVKDD-KBPBESRZSA-N 0 0 455.363 4.012 50 0 JIAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1SCC(=O)c1cc(C)n(C)c1C ZINC000006147908 554511096 /nfs/dbraw/zinc/51/10/96/554511096.db2.gz KSBLWWYRLGUHGP-UHFFFAOYSA-N 0 0 474.652 4.161 50 0 JIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000006152883 554512192 /nfs/dbraw/zinc/51/21/92/554512192.db2.gz CYVVZPPXNNOMJO-UHFFFAOYSA-N 0 0 497.042 4.185 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000008424462 554579472 /nfs/dbraw/zinc/57/94/72/554579472.db2.gz WQUHMQWAWKHDAH-POEBIKTISA-N 0 0 490.606 4.022 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1cccs1 ZINC000008425304 554580175 /nfs/dbraw/zinc/58/01/75/554580175.db2.gz GCTRAHAPNUTIQW-QJKHOBJASA-N 0 0 479.410 4.167 50 0 JIAARN CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCc3ccccc3)CC2=O)cc1 ZINC000008430553 554583625 /nfs/dbraw/zinc/58/36/25/554583625.db2.gz XUJAHDMHYDEYIL-NRFANRHFSA-N 0 0 471.557 4.397 50 0 JIAARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCC(=O)N2CCOCC2)c1 ZINC000008432309 554585711 /nfs/dbraw/zinc/58/57/11/554585711.db2.gz DLJWWNXBBQIKTK-UHFFFAOYSA-N 0 0 493.600 4.324 50 0 JIAARN Cc1ccccc1NC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000008454875 554599778 /nfs/dbraw/zinc/59/97/78/554599778.db2.gz FXRDNYNLKRYDIY-RQLGBQGVSA-N 0 0 489.984 4.429 50 0 JIAARN CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(C(=O)OC)cc2)s1 ZINC000008590395 554602589 /nfs/dbraw/zinc/60/25/89/554602589.db2.gz UYHIGLFDZOSEGN-LJQANCHMSA-N 0 0 479.489 4.273 50 0 JIAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)NC2CC2)c1)c1cccs1 ZINC000008745049 554648293 /nfs/dbraw/zinc/64/82/93/554648293.db2.gz ZEGANXCERIGEGN-QFIPXVFZSA-N 0 0 472.570 4.101 50 0 JIAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000008746387 554649532 /nfs/dbraw/zinc/64/95/32/554649532.db2.gz ZCEFLBFCXWGINS-UHFFFAOYSA-N 0 0 494.589 4.240 50 0 JIAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)Nc3ccc(N(C)C)cc3)cc12 ZINC000008747258 554650301 /nfs/dbraw/zinc/65/03/01/554650301.db2.gz BYQTZMAKGQTJPI-UHFFFAOYSA-N 0 0 452.511 4.396 50 0 JIAARN COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)nnc2-c2ccncc2)cc1 ZINC000008747591 554650588 /nfs/dbraw/zinc/65/05/88/554650588.db2.gz OJEGDJZUGJVPBZ-HNNXBMFYSA-N 0 0 475.530 4.186 50 0 JIAARN O=C(Cc1sc(N2CCCCC2)nc1O)Nc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000008755581 554657405 /nfs/dbraw/zinc/65/74/05/554657405.db2.gz IWSXVSOFRTWMPF-XZOQPEGZSA-N 0 0 490.629 4.307 50 0 JIAARN COc1ccccc1/C=C1/c2ccc(Cl)cc2N(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O ZINC000008764787 554665337 /nfs/dbraw/zinc/66/53/37/554665337.db2.gz XKEBNRBWDQCPEE-ZEVOERPGSA-N 0 0 487.987 4.474 50 0 biogenic JIAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008766951 554667576 /nfs/dbraw/zinc/66/75/76/554667576.db2.gz SLAGQBMGMHMMDS-INIZCTEOSA-N 0 0 456.951 4.419 50 0 JIAARN Cc1c(NC(=O)/C(=C/c2ccc(F)cc2)NC(=O)c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000008767050 554667673 /nfs/dbraw/zinc/66/76/73/554667673.db2.gz SDXGQIFTCDOCFL-ULJHMMPZSA-N 0 0 484.531 4.342 50 0 JIAARN O=C([C@@H]1[C@@H](c2c(F)cccc2Cl)NC(=O)N[C@@]1(O)c1ccc(Cl)cc1)C(F)(F)F ZINC000008767056 554667678 /nfs/dbraw/zinc/66/76/78/554667678.db2.gz XVNBYWYFFIBRGH-JJRVBVJISA-N 0 0 451.203 4.079 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)c(C)n1CCc1cccs1 ZINC000008775609 554674002 /nfs/dbraw/zinc/67/40/02/554674002.db2.gz VCWUSUYEQQRBSU-XMMPIXPASA-N 0 0 471.529 4.337 50 0 JIAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccc(-n2ccnc2)cc1 ZINC000008778811 554675416 /nfs/dbraw/zinc/67/54/16/554675416.db2.gz NDIBVHPMSQVEJF-FQEVSTJZSA-N 0 0 492.645 4.029 50 0 JIAARN Cc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)n1N(C)c1ncc(C(F)(F)F)cc1Cl ZINC000008781573 554678621 /nfs/dbraw/zinc/67/86/21/554678621.db2.gz MQGGCKLVAIOCQT-UHFFFAOYSA-N 0 0 465.785 4.387 50 0 JIAARN CC1(C)CCc2c(cc(OCC(=O)NC[C@@H](O)c3ccccc3)c3c4c(c(=O)oc23)CCCC4)O1 ZINC000008791716 554684883 /nfs/dbraw/zinc/68/48/83/554684883.db2.gz ZDAFHRRAKCHIIS-OAQYLSRUSA-N 0 0 477.557 4.004 50 0 biogenic JIAARN C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCC1=CCCCC1 ZINC000008791610 554684939 /nfs/dbraw/zinc/68/49/39/554684939.db2.gz DROJOGMMZLHURQ-STNVRERYSA-N 0 0 496.611 4.149 50 0 biogenic JIAARN COC(=O)C1=C(C)N=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccccc1 ZINC000008818854 554702582 /nfs/dbraw/zinc/70/25/82/554702582.db2.gz FXYLJOWZWRNUJY-IEBWSBKVSA-N 0 0 471.376 4.494 50 0 JIAARN C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2)c1)C(=O)N1CCc2ccccc21 ZINC000008824929 554712488 /nfs/dbraw/zinc/71/24/88/554712488.db2.gz YQCAKLYUUFRXMR-QGZVFWFLSA-N 0 0 498.988 4.300 50 0 JIAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008825309 554713509 /nfs/dbraw/zinc/71/35/09/554713509.db2.gz PJVDFEZZKGHECK-DUXBZUBYSA-N 0 0 471.575 4.089 50 0 JIAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnc(Nc3ccc(OC)cc3)s1)CCC2 ZINC000008826215 554715673 /nfs/dbraw/zinc/71/56/73/554715673.db2.gz HYCXPYNLMJGFLK-UHFFFAOYSA-N 0 0 476.605 4.358 50 0 JIAARN COc1cccc(-c2nnc(SCC(=O)N[C@@H](Cc3ccccc3)C(C)=O)n2-c2ccccc2)c1 ZINC000008826300 554715899 /nfs/dbraw/zinc/71/58/99/554715899.db2.gz GRWNYHRZCASPBM-DEOSSOPVSA-N 0 0 486.597 4.352 50 0 JIAARN COc1ccc(CCNC(=O)c2c(N)n(Cc3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000008836009 554735641 /nfs/dbraw/zinc/73/56/41/554735641.db2.gz XHKAMHPQZLSUER-UHFFFAOYSA-N 0 0 469.520 4.335 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(Cc2cccnc2)c2nc3ccccc3s2)cc1 ZINC000008842267 554740001 /nfs/dbraw/zinc/74/00/01/554740001.db2.gz DYZIVBVUYNQMPH-JOCHJYFZSA-N 0 0 492.626 4.386 50 0 JIAARN COc1cc(Br)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000008843613 554740715 /nfs/dbraw/zinc/74/07/15/554740715.db2.gz FPPVOXNDKUUDCA-SFHVURJKSA-N 0 0 480.746 4.386 50 0 JIAARN COCCCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3cc(C)ccc3O)[nH]n1)CCCC2 ZINC000008845442 554742651 /nfs/dbraw/zinc/74/26/51/554742651.db2.gz ORWSGHNFOQBOAL-UHFFFAOYSA-N 0 0 468.579 4.050 50 0 JIAARN CC[C@@H](c1nnc(S[C@@H](C)C(=O)N2CCc3ccccc3C2)n1Cc1ccccc1)N(C)C ZINC000008849960 554747155 /nfs/dbraw/zinc/74/71/55/554747155.db2.gz BEUOCHDCAHZNFE-CVDCTZTESA-N 0 0 463.651 4.405 50 0 JIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)N3c4ccccc4C[C@H]3C)cs2)cc1 ZINC000008851458 554748304 /nfs/dbraw/zinc/74/83/04/554748304.db2.gz XVVUNHRZUJHUSB-OAHLLOKOSA-N 0 0 453.589 4.403 50 0 JIAARN COc1ccc(C2=NN(C(C)=O)[C@@]3(SC(c4ccccc4)=NN3c3ccccc3)N2C)cc1 ZINC000008856603 554752495 /nfs/dbraw/zinc/75/24/95/554752495.db2.gz FKQQJFLHLFCIMY-VWLOTQADSA-N 0 0 457.559 4.377 50 0 JIAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000008860786 554757243 /nfs/dbraw/zinc/75/72/43/554757243.db2.gz XHDCPUJKCCJPOI-UHFFFAOYSA-N 0 0 487.511 4.219 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)n2C[C@H]2CCCO2)cc1 ZINC000008862492 554760692 /nfs/dbraw/zinc/76/06/92/554760692.db2.gz QBNLASZHUNXWFQ-OAQYLSRUSA-N 0 0 464.591 4.204 50 0 JIAARN COc1ccc(/C=C/C(=O)N(Cc2cccc3ccccc32)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000008869768 554763496 /nfs/dbraw/zinc/76/34/96/554763496.db2.gz QVUVJOWBFBTATC-SDNYCIMKSA-N 0 0 465.571 4.086 50 0 JIAARN Cc1cc(OCC(=O)N(Cc2cccc3ccccc32)[C@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000008869850 554763840 /nfs/dbraw/zinc/76/38/40/554763840.db2.gz BDYFNTWNARDJAA-FQEVSTJZSA-N 0 0 457.979 4.396 50 0 JIAARN CC1(C)CCc2c(cc(OCC(=O)NCCc3ccsc3)c3c4c(c(=O)oc23)CCC4)O1 ZINC000008877005 554772312 /nfs/dbraw/zinc/77/23/12/554772312.db2.gz PFJJJLYEZMXWMN-UHFFFAOYSA-N 0 0 453.560 4.185 50 0 biogenic JIAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008882683 554777333 /nfs/dbraw/zinc/77/73/33/554777333.db2.gz SSNHNBHDJRCOKQ-UHFFFAOYSA-N 0 0 489.022 4.309 50 0 JIAARN COCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2F)cc1 ZINC000008911835 554801273 /nfs/dbraw/zinc/80/12/73/554801273.db2.gz LKJRFYGWXZXRRX-UHFFFAOYSA-N 0 0 450.539 4.287 50 0 JIAARN C[C@H](Nc1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000008912377 554802402 /nfs/dbraw/zinc/80/24/02/554802402.db2.gz DVFHHAYRTIQGDG-LBPRGKRZSA-N 0 0 456.998 4.206 50 0 JIAARN CCCCN1c2ccccc2[C@]2(C1=O)c1c(oc3ccccc3c1=O)C(=O)N2CCCOCC ZINC000008915555 554809615 /nfs/dbraw/zinc/80/96/15/554809615.db2.gz UKJPWRYUTFKUFV-HHHXNRCGSA-N 0 0 460.530 4.066 50 0 JIAARN O=C(Nc1cccc(Cl)c1)c1nc(S(=O)(=O)Cc2ccc(F)cc2)ncc1Br ZINC000008916545 554811031 /nfs/dbraw/zinc/81/10/31/554811031.db2.gz HTQDFBBQMVTTMU-UHFFFAOYSA-N 0 0 484.734 4.258 50 0 JIAARN C[C@@H](C(=O)NCCc1ccc(Cl)cc1Cl)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008918045 554814007 /nfs/dbraw/zinc/81/40/07/554814007.db2.gz LZECHPMLZQBWAY-SXBQZSJRSA-N 0 0 499.398 4.258 50 0 biogenic JIAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000008928614 554825891 /nfs/dbraw/zinc/82/58/91/554825891.db2.gz YTFIQOWUQZZTCE-UHFFFAOYSA-N 0 0 476.913 4.384 50 0 JIAARN CCOC(=O)N1CCC([NH2+]Cc2c(C)n(Cc3c(F)cccc3Cl)c(C)c2C(=O)[O-])CC1 ZINC000008932538 554826341 /nfs/dbraw/zinc/82/63/41/554826341.db2.gz DLBRMDHYLBPQMM-UHFFFAOYSA-N 0 0 465.953 4.354 50 0 JIAARN COc1cccc(CNC(=O)Cn2ncc3c4ccccc4n(Cc4cc(C)ccc4C)c3c2=O)c1 ZINC000008933196 554826862 /nfs/dbraw/zinc/82/68/62/554826862.db2.gz UPWNTACTLFJUHN-UHFFFAOYSA-N 0 0 480.568 4.341 50 0 JIAARN O=C(CSc1nnnn1-c1ccc(Cl)cc1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000008965868 554841281 /nfs/dbraw/zinc/84/12/81/554841281.db2.gz QTSCJZPKMJIHLW-MRXNPFEDSA-N 0 0 470.967 4.440 50 0 JIAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000008966097 554841897 /nfs/dbraw/zinc/84/18/97/554841897.db2.gz WTNDUZUYIIQDLX-UHFFFAOYSA-N 0 0 489.597 4.316 50 0 JIAARN O=S(=O)(NC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccc(Cl)s1 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JIAARN COc1ccccc1CNC(=O)C1CCN(C(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)CC1 ZINC000009405839 555165051 /nfs/dbraw/zinc/16/50/51/555165051.db2.gz DTIDQAQRKAHJJK-INIZCTEOSA-N 0 0 457.958 4.084 50 0 JIAARN C[C@H]1CN(C(=O)N2CCC(C(=O)NCc3cccc(Br)c3)CC2)c2ccccc2O1 ZINC000009405889 555165227 /nfs/dbraw/zinc/16/52/27/555165227.db2.gz MVINNMPIOIUTSR-INIZCTEOSA-N 0 0 472.383 4.185 50 0 JIAARN Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CC1)C[C@H](C)O2 ZINC000009405926 555165311 /nfs/dbraw/zinc/16/53/11/555165311.db2.gz IUWZVSWKRVGIKQ-OALUTQOASA-N 0 0 479.577 4.063 50 0 JIAARN CN(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000009406882 555167839 /nfs/dbraw/zinc/16/78/39/555167839.db2.gz LQIYUSLRQRLAKP-JOCHJYFZSA-N 0 0 474.586 4.044 50 0 JIAARN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1 ZINC000009406915 555167860 /nfs/dbraw/zinc/16/78/60/555167860.db2.gz AXXSABZIOSQGOD-HSZRJFAPSA-N 0 0 460.559 4.330 50 0 JIAARN CC1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(-c5ccccc5)nc4c3)C2)CC1 ZINC000009406888 555167883 /nfs/dbraw/zinc/16/78/83/555167883.db2.gz YTLDNYFOHRBTAA-CKHPTIKVSA-N 0 0 480.634 4.326 50 0 JIAARN CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)Nc3ccc(C)cc3Br)cc21 ZINC000009406963 555168094 /nfs/dbraw/zinc/16/80/94/555168094.db2.gz PBGMLEDEJPCLJT-LBPRGKRZSA-N 0 0 455.399 4.405 50 0 JIAARN COCCCN(Cc1ccco1)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000009408713 555171640 /nfs/dbraw/zinc/17/16/40/555171640.db2.gz DCXPKISXUOWPHN-HSZRJFAPSA-N 0 0 462.999 4.491 50 0 JIAARN CCOc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)ccc1OCc1ccccc1 ZINC000009409288 555173927 /nfs/dbraw/zinc/17/39/27/555173927.db2.gz YYVNAEUSHNGVKG-MHZLTWQESA-N 0 0 485.540 4.298 50 0 JIAARN Cn1c(CCNC(=O)c2ccccc2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000009410338 555176379 /nfs/dbraw/zinc/17/63/79/555176379.db2.gz BKOHLDBXTXKBON-UHFFFAOYSA-N 0 0 468.966 4.000 50 0 JIAARN CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)COc1ccc(Br)c(C)c1 ZINC000009410335 555176477 /nfs/dbraw/zinc/17/64/77/555176477.db2.gz ISZFWQTTXQYSMX-UHFFFAOYSA-N 0 0 460.328 4.244 50 0 JIAARN O=C(Nc1ccc(OCc2nnnn2-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000009410461 555176833 /nfs/dbraw/zinc/17/68/33/555176833.db2.gz ZKURRTIFOMHGMS-UHFFFAOYSA-N 0 0 450.296 4.256 50 0 JIAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@@](=O)C3)cc1OCC ZINC000009413322 555180204 /nfs/dbraw/zinc/18/02/04/555180204.db2.gz SENNDNYUHLNTCP-JGCGQSQUSA-N 0 0 453.564 4.301 50 0 JIAARN Cc1cc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)c(C)o1 ZINC000009415190 555182443 /nfs/dbraw/zinc/18/24/43/555182443.db2.gz GHYSYJNEDXACMX-UHFFFAOYSA-N 0 0 489.981 4.440 50 0 JIAARN COC(=O)C1=CN(C23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1cc(OC)c(OC)c(OC)c1 ZINC000009425591 555190321 /nfs/dbraw/zinc/19/03/21/555190321.db2.gz BVIIVUGRYJOFCL-UHFFFAOYSA-N 0 0 497.588 4.194 50 0 JIAARN COc1ccccc1Cn1c(N)c(C(=O)Nc2ccccc2OC)c2nc3ccccc3nc21 ZINC000009427336 555192325 /nfs/dbraw/zinc/19/23/25/555192325.db2.gz YHEXPYQROBJQGL-UHFFFAOYSA-N 0 0 453.502 4.485 50 0 JIAARN CCCCCC(=O)NN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 ZINC000009428610 555194457 /nfs/dbraw/zinc/19/44/57/555194457.db2.gz GOWWGYDDTXHGGZ-LJQANCHMSA-N 0 0 472.998 4.282 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2cc(OC)ccc2OC)[C@@H]1c1cccs1 ZINC000009432850 555202413 /nfs/dbraw/zinc/20/24/13/555202413.db2.gz SDWQSKGKNHFYNE-RPBOFIJWSA-N 0 0 494.613 4.051 50 0 JIAARN CCOc1ccc(CCNC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2cccs2)cc1 ZINC000009432844 555202421 /nfs/dbraw/zinc/20/24/21/555202421.db2.gz FBDUFASROUZINM-LOSJGSFVSA-N 0 0 478.614 4.433 50 0 JIAARN COc1cccc(NC(=O)CSc2nc3nnc(C)c-3c(N)n2-c2cc(Cl)ccc2C)c1 ZINC000009434228 555205050 /nfs/dbraw/zinc/20/50/50/555205050.db2.gz YPTRVVAISYSBCZ-UHFFFAOYSA-N 0 0 468.970 4.238 50 0 JIAARN CCC(CC)NC(=O)COC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009440334 555210488 /nfs/dbraw/zinc/21/04/88/555210488.db2.gz GSLMJBGEJPBLFV-JYFHCDHNSA-N 0 0 482.577 4.036 50 0 JIAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3s2)c1 ZINC000009441614 555212506 /nfs/dbraw/zinc/21/25/06/555212506.db2.gz QQSNLFGGTOSRCE-UHFFFAOYSA-N 0 0 495.582 4.009 50 0 JIAARN CCC(=O)Nc1ccc(C(=O)COC(=O)c2cccc(NS(=O)(=O)C=Cc3ccccc3)c2)cc1 ZINC000009442475 555214580 /nfs/dbraw/zinc/21/45/80/555214580.db2.gz VASRAPHWGVTXID-FOCLMDBBSA-N 0 0 492.553 4.487 50 0 JIAARN CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1 ZINC000009442583 555214733 /nfs/dbraw/zinc/21/47/33/555214733.db2.gz RUWSHGFLHGXQCB-INIZCTEOSA-N 0 0 451.596 4.227 50 0 JIAARN O=C(CNC(=O)c1ccc2ccccc2c1)OCc1cc(=O)oc2cc(Br)ccc12 ZINC000009442623 555215033 /nfs/dbraw/zinc/21/50/33/555215033.db2.gz NTFJTRAOXRRJBQ-UHFFFAOYSA-N 0 0 466.287 4.182 50 0 JIAARN CCOc1ccccc1N1CCN(C(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000009443533 555216242 /nfs/dbraw/zinc/21/62/42/555216242.db2.gz VJOSLHCWXMKMRL-UHFFFAOYSA-N 0 0 497.592 4.296 50 0 JIAARN COc1ccc(CNC(=O)Cn2c3ccccc3nc2[C@H](C)NC(=O)c2ccc(C)cc2)cc1 ZINC000009444010 555216904 /nfs/dbraw/zinc/21/69/04/555216904.db2.gz ZDOALUNGAZCABR-IBGZPJMESA-N 0 0 456.546 4.161 50 0 JIAARN CCOc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCCO)cc1OCC ZINC000009446494 555219512 /nfs/dbraw/zinc/21/95/12/555219512.db2.gz QCEYTVUPHVPEGA-XMMPIXPASA-N 0 0 485.968 4.469 50 0 JIAARN COc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)CC2)c1 ZINC000009447065 555220092 /nfs/dbraw/zinc/22/00/92/555220092.db2.gz YYLXESWYGBMBCQ-DEOSSOPVSA-N 0 0 493.604 4.234 50 0 JIAARN Cc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2N)cc1Cl ZINC000009447959 555220799 /nfs/dbraw/zinc/22/07/99/555220799.db2.gz XIPFMVJIMKAEPC-UHFFFAOYSA-N 0 0 474.377 4.395 50 0 JIAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1=O ZINC000009448530 555221325 /nfs/dbraw/zinc/22/13/25/555221325.db2.gz UWUSMJFIVKPOEF-MUUNZHRXSA-N 0 0 477.580 4.443 50 0 JIAARN C[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)c2C(N)=O)C1 ZINC000009448744 555221646 /nfs/dbraw/zinc/22/16/46/555221646.db2.gz VLXZZBBPVJSKLR-GFCCVEGCSA-N 0 0 485.610 4.435 50 0 JIAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(OC)cc4)[nH]n3)n2N)cc1 ZINC000009453471 555224767 /nfs/dbraw/zinc/22/47/67/555224767.db2.gz OWJIZQVWVLADCR-HNNXBMFYSA-N 0 0 477.594 4.302 50 0 JIAARN CCOC(=O)c1c(C)c(C)n(Cc2cccs2)c1NC(=O)COC(=O)c1c(F)cccc1F ZINC000009456699 555226259 /nfs/dbraw/zinc/22/62/59/555226259.db2.gz GGSPPISBHVEGJF-UHFFFAOYSA-N 0 0 476.501 4.465 50 0 JIAARN Cc1cc(C)c(-c2csc(NC(=O)Cn3c(CS(C)(=O)=O)nc4ccccc43)n2)cc1C ZINC000009461268 555228627 /nfs/dbraw/zinc/22/86/27/555228627.db2.gz KNNKMLOHEHSTJS-UHFFFAOYSA-N 0 0 468.604 4.268 50 0 JIAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)c2ccc(Br)s2)C1=O ZINC000009462062 555230702 /nfs/dbraw/zinc/23/07/02/555230702.db2.gz BKTSKIXDGYRHCJ-INIZCTEOSA-N 0 0 462.152 4.467 50 0 JIAARN COc1ccc(OC)c(-c2csc(NC(=O)CSc3n[nH]c(-c4cccs4)n3)n2)c1 ZINC000009464358 555236318 /nfs/dbraw/zinc/23/63/18/555236318.db2.gz XGRADZUGWALKKT-UHFFFAOYSA-N 0 0 459.578 4.405 50 0 JIAARN C[C@@H](NC(=O)Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1ccccn1 ZINC000009464654 555237120 /nfs/dbraw/zinc/23/71/20/555237120.db2.gz RHDAIXKEJSCBMP-OAHLLOKOSA-N 0 0 463.481 4.321 50 0 JIAARN O=C(Nc1ccccc1Cl)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000009465337 555239260 /nfs/dbraw/zinc/23/92/60/555239260.db2.gz ZBRZJIUZKPHPQW-UHFFFAOYSA-N 0 0 473.957 4.242 50 0 JIAARN COc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)COc3cccc(C)c3)c2)c2ccccc21 ZINC000009466132 555241826 /nfs/dbraw/zinc/24/18/26/555241826.db2.gz WCCZDIANBCYGJT-UHFFFAOYSA-N 0 0 484.556 4.468 50 0 JIAARN CC(=O)c1cc2c(cc1NC(=O)c1cccc(S(=O)(=O)N3CCCc4ccccc43)c1)OCO2 ZINC000009466249 555242022 /nfs/dbraw/zinc/24/20/22/555242022.db2.gz VTCMNWQENNIIFG-UHFFFAOYSA-N 0 0 478.526 4.012 50 0 JIAARN CCn1c(COC(=O)c2ncc(Cl)c(Cl)c2Cl)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009468500 555248192 /nfs/dbraw/zinc/24/81/92/555248192.db2.gz VPETXYHRPTUOST-UHFFFAOYSA-N 0 0 491.784 4.019 50 0 JIAARN Cc1ccc(-n2c(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)nnc2N2CCCCC2)cc1 ZINC000009468618 555248716 /nfs/dbraw/zinc/24/87/16/555248716.db2.gz ULGZIXHRMJBHLE-LJQANCHMSA-N 0 0 490.633 4.422 50 0 JIAARN O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)Nc1ccccc1Oc1ccccc1 ZINC000009469081 555250324 /nfs/dbraw/zinc/25/03/24/555250324.db2.gz VIEXFXDGNKXRMS-UHFFFAOYSA-N 0 0 451.548 4.314 50 0 JIAARN COc1cccc(Nc2nnc(SCC(=O)Nc3cccc(N4CCCC4=O)c3)s2)c1 ZINC000009469146 555250517 /nfs/dbraw/zinc/25/05/17/555250517.db2.gz VPMJGGSNNUSJSS-UHFFFAOYSA-N 0 0 455.565 4.148 50 0 JIAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Cn2c(-c3ccccc3)cc3ccccc32)cc1 ZINC000009470687 555253790 /nfs/dbraw/zinc/25/37/90/555253790.db2.gz AHYAUUVSENTVLO-UHFFFAOYSA-N 0 0 475.614 4.453 50 0 JIAARN CC[C@@H](Sc1nc2ccccc2c2nc(CCn3cncc3C)nn21)C(=O)NC1CCCCC1 ZINC000009472223 555255206 /nfs/dbraw/zinc/25/52/06/555255206.db2.gz OFCKUYJSVYLGGA-OAQYLSRUSA-N 0 0 477.638 4.345 50 0 JIAARN CC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1COc2ccccc2O1 ZINC000009472860 555255610 /nfs/dbraw/zinc/25/56/10/555255610.db2.gz BAJIUDZUEBZCRS-RBUKOAKNSA-N 0 0 479.602 4.120 50 0 JIAARN O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000009477349 555258129 /nfs/dbraw/zinc/25/81/29/555258129.db2.gz ASCMVIBPCQKNDM-UHFFFAOYSA-N 0 0 480.584 4.131 50 0 JIAARN COc1cc(C(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)ccc1OCc1ccccc1 ZINC000009477514 555258388 /nfs/dbraw/zinc/25/83/88/555258388.db2.gz NNNKZXLTNGZWPH-UHFFFAOYSA-N 0 0 457.530 4.395 50 0 JIAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009477929 555259475 /nfs/dbraw/zinc/25/94/75/555259475.db2.gz FHJWZRFMSPIFLN-DTQAZKPQSA-N 0 0 478.618 4.109 50 0 JIAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1=O ZINC000009481682 555261340 /nfs/dbraw/zinc/26/13/40/555261340.db2.gz ZLIGPNCRQSCZCN-DHLKQENFSA-N 0 0 479.627 4.227 50 0 JIAARN Cc1cc(N2CCN(C(=O)CCc3c(C)c4ccc(O)c(C)c4oc3=O)CC2)nc2ccccc12 ZINC000009486681 555262438 /nfs/dbraw/zinc/26/24/38/555262438.db2.gz YYCVAPSUFRCHSM-UHFFFAOYSA-N 0 0 471.557 4.253 50 0 JIAARN COc1ccc(NC(=O)c2cc3c(nc4ccc(C)cn4c3=O)n2Cc2ccccc2)cc1OC ZINC000009488570 555263919 /nfs/dbraw/zinc/26/39/19/555263919.db2.gz ZQMFZFXLNCLIHL-UHFFFAOYSA-N 0 0 468.513 4.275 50 0 JIAARN C[C@@]1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2cccc3ccccc32)C1=O ZINC000009491498 555269118 /nfs/dbraw/zinc/26/91/18/555269118.db2.gz SIDCLJSBCYTRHQ-QFIPXVFZSA-N 0 0 452.308 4.008 50 0 JIAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000009491684 555269865 /nfs/dbraw/zinc/26/98/65/555269865.db2.gz MCFLOKIYMKSUEX-UHFFFAOYSA-N 0 0 468.579 4.212 50 0 JIAARN O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000009492840 555273722 /nfs/dbraw/zinc/27/37/22/555273722.db2.gz IDXOZPVDGTYFGG-UHFFFAOYSA-N 0 0 497.617 4.237 50 0 JIAARN CN(CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)Cc1ccc(C(F)(F)F)cc1 ZINC000009493603 555275932 /nfs/dbraw/zinc/27/59/32/555275932.db2.gz AXWZHYOVNMSURN-UHFFFAOYSA-N 0 0 489.947 4.214 50 0 JIAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)c4cc(C)n(C[C@H]5CCCO5)c4C)C3=O)ccc2c1 ZINC000009494097 555277742 /nfs/dbraw/zinc/27/77/42/555277742.db2.gz DBWLYHRJLMFVIL-LXFBAYGMSA-N 0 0 489.572 4.096 50 0 JIAARN COc1cc(Br)c(S(=O)(=O)N(C)Cc2ccc(Br)cc2)cc1OC ZINC000009494794 555279089 /nfs/dbraw/zinc/27/90/89/555279089.db2.gz BDKYPKYCYHPBKL-UHFFFAOYSA-N 0 0 479.190 4.050 50 0 JIAARN COCCNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)ccc1Sc1ccc(F)cc1 ZINC000009497063 555281610 /nfs/dbraw/zinc/28/16/10/555281610.db2.gz NGLUZONAVIUQES-CALCHBBNSA-N 0 0 480.627 4.020 50 0 JIAARN Cc1ccc(CN(c2cccc(S(=O)(=O)N3CCCC3)c2)S(=O)(=O)c2cccs2)cc1 ZINC000009497716 555282003 /nfs/dbraw/zinc/28/20/03/555282003.db2.gz JLGVSMSENNRDHG-UHFFFAOYSA-N 0 0 476.645 4.237 50 0 JIAARN Cc1cccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3C[C@H]3CCCO3)cc(=O)n12 ZINC000009499323 555283818 /nfs/dbraw/zinc/28/38/18/555283818.db2.gz DLTAKIMGHOTJTR-LJQANCHMSA-N 0 0 467.982 4.386 50 0 JIAARN COc1ccc(-c2noc(CSc3nnc(-c4ccc(OC)c(OC)c4)o3)n2)cc1OC ZINC000009499241 555283829 /nfs/dbraw/zinc/28/38/29/555283829.db2.gz CACPKYCNABEMPS-UHFFFAOYSA-N 0 0 456.480 4.113 50 0 JIAARN CCOCCn1cnc2sc(C(=O)Nc3ccc(C)cc3Br)c(C)c2c1=O ZINC000009499363 555284065 /nfs/dbraw/zinc/28/40/65/555284065.db2.gz HLOOAIMGLYYHKO-UHFFFAOYSA-N 0 0 450.358 4.126 50 0 JIAARN COc1ccc(-n2nc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3c2=O)cc1 ZINC000009505626 555290025 /nfs/dbraw/zinc/29/00/25/555290025.db2.gz PNWFZRRLWJNUBB-UHFFFAOYSA-N 0 0 474.948 4.010 50 0 JIAARN CC(C)[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@H](C)C3)C(=O)NC(N)=O ZINC000009506833 555290484 /nfs/dbraw/zinc/29/04/84/555290484.db2.gz HRYNLAJGOGPTEE-KPZWWZAWSA-N 0 0 488.610 4.023 50 0 JIAARN CSCc1c2ccccc2oc1C(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000009507058 555290950 /nfs/dbraw/zinc/29/09/50/555290950.db2.gz VZOCOIZQVAONGZ-MRXNPFEDSA-N 0 0 479.558 4.278 50 0 JIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(Cc2ccccc2)n1CC ZINC000009507485 555292050 /nfs/dbraw/zinc/29/20/50/555292050.db2.gz NRPQTEVMLONMHK-UHFFFAOYSA-N 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Cc1ccc(Cl)cc1-n1nnnc1SCC(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000013576329 555515231 /nfs/dbraw/zinc/51/52/31/555515231.db2.gz FLNUAWCVHQGFTO-UHFFFAOYSA-N 0 0 461.378 4.210 50 0 JIAARN Cc1cc(C(=O)CSc2nnc(NC3CC3)s2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000009815835 555521626 /nfs/dbraw/zinc/52/16/26/555521626.db2.gz KINAJHDACUOAKF-UHFFFAOYSA-N 0 0 494.646 4.293 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009819678 555522937 /nfs/dbraw/zinc/52/29/37/555522937.db2.gz OUDKTCCRANDTSB-KRWDZBQOSA-N 0 0 461.634 4.122 50 0 JIAARN CCC(=O)NC(=S)Nc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019871501 555523922 /nfs/dbraw/zinc/52/39/22/555523922.db2.gz FJWSMAAPKNETNJ-UHFFFAOYSA-N 0 0 486.641 4.457 50 0 JIAARN O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)NCc1ccccc1 ZINC000009823426 555525012 /nfs/dbraw/zinc/52/50/12/555525012.db2.gz MMWGVNCNXKNDOZ-UHFFFAOYSA-N 0 0 456.933 4.369 50 0 JIAARN CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000019882105 555527375 /nfs/dbraw/zinc/52/73/75/555527375.db2.gz STRJLJDYADKPNI-HSZRJFAPSA-N 0 0 482.964 4.113 50 0 JIAARN Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3cc4ccccc4o3)CC2)n1 ZINC000013593482 555528855 /nfs/dbraw/zinc/52/88/55/555528855.db2.gz CSZIEQSRAFIEFO-UHFFFAOYSA-N 0 0 452.518 4.141 50 0 JIAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCCc2ccc(OC)c(OC)c2)c1C ZINC000009830243 555529446 /nfs/dbraw/zinc/52/94/46/555529446.db2.gz UHFIGAQQHASBHF-UHFFFAOYSA-N 0 0 464.562 4.325 50 0 JIAARN CC(=O)N1CCc2c(sc3c2c(=O)n(CCc2ccccc2)c(=O)n3Cc2cccc(Cl)c2)C1 ZINC000009830499 555530323 /nfs/dbraw/zinc/53/03/23/555530323.db2.gz LGQYDATWBITQGM-UHFFFAOYSA-N 0 0 494.016 4.074 50 0 JIAARN C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000019891961 555530389 /nfs/dbraw/zinc/53/03/89/555530389.db2.gz MYFCGVKVRGQRNB-FNZWTVRRSA-N 0 0 499.567 4.254 50 0 JIAARN Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000019898596 555534435 /nfs/dbraw/zinc/53/44/35/555534435.db2.gz 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C[C@@]12C[C@@H](NC(=O)N1c1ccc(C(=O)NCc3ccc4c(c3)OCO4)cc1)c1ccccc1O2 ZINC000009835710 555540814 /nfs/dbraw/zinc/54/08/14/555540814.db2.gz RGOJSVCGPCHVOH-FQRUVTKNSA-N 0 0 457.486 4.115 50 0 JIAARN COc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1OC ZINC000009835630 555540816 /nfs/dbraw/zinc/54/08/16/555540816.db2.gz RAARENJMKIWLRF-UHFFFAOYSA-N 0 0 452.576 4.241 50 0 JIAARN O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)N1CCN(Cc2ccccc2)CC1 ZINC000019928811 555544688 /nfs/dbraw/zinc/54/46/88/555544688.db2.gz OYTFWTGHHTVDLW-UHFFFAOYSA-N 0 0 472.976 4.061 50 0 JIAARN CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3sc(-c4ccccc4)nc3C)n2)cc1 ZINC000009844390 555544700 /nfs/dbraw/zinc/54/47/00/555544700.db2.gz GDBKTBDAFFGACL-UHFFFAOYSA-N 0 0 460.559 4.171 50 0 JIAARN O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1cc(Br)ccc1Cl ZINC000019929089 555545455 /nfs/dbraw/zinc/54/54/55/555545455.db2.gz RYTZDYORMAOJCB-UHFFFAOYSA-N 0 0 468.804 4.062 50 0 JIAARN Cc1cc(C(=O)N2CCN(Cc3ccccc3F)CC2)c2c(n1)onc2-c1ccc2c(c1)OCO2 ZINC000013641612 555547894 /nfs/dbraw/zinc/54/78/94/555547894.db2.gz NNLGWCHMODXVMH-UHFFFAOYSA-N 0 0 474.492 4.024 50 0 JIAARN O=C(CNc1ccccc1C(=O)NC[C@H]1CCCO1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000009847306 555548274 /nfs/dbraw/zinc/54/82/74/555548274.db2.gz HLSPDPCXPFTYHR-PXDATVDWSA-N 0 0 471.557 4.174 50 0 JIAARN O=C(COc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccc2c(c1)OCO2)N1CCCC1 ZINC000009847383 555548613 /nfs/dbraw/zinc/54/86/13/555548613.db2.gz FABSUPBQVCNSLQ-AREMUKBSSA-N 0 0 471.513 4.188 50 0 JIAARN Cc1ccc(CNC(=O)c2ccccc2NCc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000009847350 555548662 /nfs/dbraw/zinc/54/86/62/555548662.db2.gz SWRHBPQRBKGHIK-UHFFFAOYSA-N 0 0 477.362 4.308 50 0 JIAARN O=C(C1CCN(Cc2ccc(Br)cc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000009849456 555551411 /nfs/dbraw/zinc/55/14/11/555551411.db2.gz SILSDRRAYNQEKY-UHFFFAOYSA-N 0 0 460.391 4.149 50 0 JIAARN COc1ccc(CN2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000009849901 555552269 /nfs/dbraw/zinc/55/22/69/555552269.db2.gz VUURIRSWZXXLAO-HSZRJFAPSA-N 0 0 477.492 4.209 50 0 JIAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009855948 555556390 /nfs/dbraw/zinc/55/63/90/555556390.db2.gz LMXYJFJBCOZCFE-UHFFFAOYSA-N 0 0 498.535 4.350 50 0 JIAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(OC)cc1)cn2Cc1ccc(OC)cc1 ZINC000009859018 555560782 /nfs/dbraw/zinc/56/07/82/555560782.db2.gz IAYPEILVBQROFK-UHFFFAOYSA-N 0 0 479.554 4.299 50 0 JIAARN COc1ccc(OC)c2c(C)cc(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc12 ZINC000009971793 555570131 /nfs/dbraw/zinc/57/01/31/555570131.db2.gz IYYYQGSQZKFQJH-UHFFFAOYSA-N 0 0 477.586 4.225 50 0 JIAARN O=C(Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl ZINC000013684547 555578575 /nfs/dbraw/zinc/57/85/75/555578575.db2.gz LSUNKBKZCXLXEY-HNNXBMFYSA-N 0 0 450.347 4.469 50 0 JIAARN O=C1C[C@@H](N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000013689090 555582614 /nfs/dbraw/zinc/58/26/14/555582614.db2.gz ZGKYPAUKBWJUSO-RUZDIDTESA-N 0 0 458.533 4.106 50 0 JIAARN COCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009987442 555586324 /nfs/dbraw/zinc/58/63/24/555586324.db2.gz BUHOZRIKQFDNJO-UHFFFAOYSA-N 0 0 471.888 4.446 50 0 JIAARN COC(=O)c1ccc(Oc2c(C)oc3c(ccc4c3CN(C[C@H]3CCCO3)CO4)c2=O)cc1 ZINC000013691967 555586442 /nfs/dbraw/zinc/58/64/42/555586442.db2.gz YVYNIGCCBDYCJC-GOSISDBHSA-N 0 0 451.475 4.011 50 0 biogenic JIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)COC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000009987918 555586558 /nfs/dbraw/zinc/58/65/58/555586558.db2.gz ITBUNGMXWFLRMQ-UHFFFAOYSA-N 0 0 470.884 4.464 50 0 JIAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)c4c[nH]c(C(=O)N5CCCC5)c4)o3)cc2C1 ZINC000009989895 555587111 /nfs/dbraw/zinc/58/71/11/555587111.db2.gz BYSUVTFGMHTNPD-CYBMUJFWSA-N 0 0 456.593 4.462 50 0 JIAARN Cc1cc2nc(C)c(CCC(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4F)c3)c(C)n2n1 ZINC000009996128 555589562 /nfs/dbraw/zinc/58/95/62/555589562.db2.gz SEMHCEFTAOMQTP-UHFFFAOYSA-N 0 0 481.553 4.166 50 0 JIAARN CCn1cc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)N2CCCCC2)c2ccccc21 ZINC000010004034 555590903 /nfs/dbraw/zinc/59/09/03/555590903.db2.gz YSGNBDKLUXWVNY-JCMHNJIXSA-N 0 0 491.588 4.470 50 0 JIAARN COc1ccccc1N(CC(=O)NCCSc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000010007621 555591448 /nfs/dbraw/zinc/59/14/48/555591448.db2.gz MYLBJLCLCKMGNK-UHFFFAOYSA-N 0 0 484.643 4.416 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc32)CC1 ZINC000010013260 555594177 /nfs/dbraw/zinc/59/41/77/555594177.db2.gz WKEKMWULYKJIQR-UHFFFAOYSA-N 0 0 474.948 4.010 50 0 JIAARN O=S(=O)(c1ccc(I)cc1)N1CCS[C@@H]1c1cccc(Cl)c1 ZINC000010013846 555594971 /nfs/dbraw/zinc/59/49/71/555594971.db2.gz WNRCNCQQBRZYKS-OAHLLOKOSA-N 0 0 465.765 4.381 50 0 JIAARN C[C@@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000010021846 555597437 /nfs/dbraw/zinc/59/74/37/555597437.db2.gz XOLPIYOQAOYBKW-QZTJIDSGSA-N 0 0 464.949 4.296 50 0 JIAARN COc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000010032264 555601702 /nfs/dbraw/zinc/60/17/02/555601702.db2.gz 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COc1ccc(NC(=O)C2=C(C)Nc3nc(CCCO)nn3[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000011859466 555838892 /nfs/dbraw/zinc/83/88/92/555838892.db2.gz XOJLYFDKHCJDLT-NRFANRHFSA-N 0 0 488.375 4.446 50 0 JIAARN Cc1c2c(nn1-c1ccc(Cl)cc1)c(N1CCN(C(=O)NCCc3ccccc3)CC1)nnc2C ZINC000020597909 555839793 /nfs/dbraw/zinc/83/97/93/555839793.db2.gz RUVPGAMFJPXKQT-UHFFFAOYSA-N 0 0 490.011 4.160 50 0 JIAARN COCCN(Cc1cc2ccc(Cl)cc2nc1N1CCC[C@H](CO)C1)C(=O)c1ccccc1OC ZINC000020598557 555840673 /nfs/dbraw/zinc/84/06/73/555840673.db2.gz VSFALFSMTOTLGI-IBGZPJMESA-N 0 0 498.023 4.394 50 0 JIAARN COc1ccccc1C1=NO[C@@H](C(=O)Nc2cc(C)n(Cc3cccc(C(F)(F)F)c3)n2)C1 ZINC000020601985 555842542 /nfs/dbraw/zinc/84/25/42/555842542.db2.gz JVKYHFQZXIYBCT-HXUWFJFHSA-N 0 0 458.440 4.399 50 0 JIAARN CC[C@@H](C)c1ccc(S(=O)(=O)N(CCc2ccc(OC)c(OC)c2)Cc2cnn(C)c2)cc1 ZINC000020602177 555842801 /nfs/dbraw/zinc/84/28/01/555842801.db2.gz YJAFCTQROJIFFC-LJQANCHMSA-N 0 0 471.623 4.384 50 0 JIAARN Cc1nn(CC(=O)Nc2ccc(Br)cn2)c2nc(C3CC3)cc(C(F)(F)F)c12 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CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)N3CCC(Cc4ccccc4)CC3)cc2C[C@@H]1C ZINC000020854971 555848517 /nfs/dbraw/zinc/84/85/17/555848517.db2.gz JGFUAKDAIKIPOM-FQEVSTJZSA-N 0 0 482.646 4.019 50 0 JIAARN COc1cccc(C[C@H](C2CCN(C(=O)CC3CCCCC3)CC2)N(C)C(=O)c2ccn(C)n2)c1 ZINC000011880523 555848677 /nfs/dbraw/zinc/84/86/77/555848677.db2.gz KJMGPNFYKHIXCO-AREMUKBSSA-N 0 0 480.653 4.321 50 0 JIAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000021587665 555852952 /nfs/dbraw/zinc/85/29/52/555852952.db2.gz SHVQEXRYPDJAJO-NSHDSACASA-N 0 0 452.907 4.460 50 0 JIAARN Cn1ccnc1[C@H]1CCCCN1C(=O)c1ccc(-n2cc(NC(=O)Cc3cccc(F)c3)cn2)cc1 ZINC000011910191 555857333 /nfs/dbraw/zinc/85/73/33/555857333.db2.gz DTDYXFUYTMPVNC-XMMPIXPASA-N 0 0 486.551 4.294 50 0 JIAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)N1CCc2sccc2C1 ZINC000021958423 555857616 /nfs/dbraw/zinc/85/76/16/555857616.db2.gz FMYAXOBRRRJENE-SFHVURJKSA-N 0 0 458.584 4.002 50 0 JIAARN COc1ccc(CCN(C)C(=O)c2cc(-c3ccc(C)s3)cc(-n3cnnn3)c2)cc1OC 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/nfs/dbraw/zinc/86/37/07/555863707.db2.gz KQXJKYOKSZUYFH-UHFFFAOYSA-N 0 0 495.670 4.148 50 0 JIAARN Cc1sc2nc(CN3CCOCC3)nc(N(C)CC(=O)Nc3cccc4ccccc43)c2c1C ZINC000022024820 555863732 /nfs/dbraw/zinc/86/37/32/555863732.db2.gz CUIGOFDUSNSUOB-UHFFFAOYSA-N 0 0 475.618 4.368 50 0 JIAARN O=C(C(c1ccccc1)c1ccccc1)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000011914389 555864972 /nfs/dbraw/zinc/86/49/72/555864972.db2.gz QFGLFXYWQHGVKC-LJQANCHMSA-N 0 0 488.403 4.390 50 0 JIAARN O=C(/C=C/c1cccs1)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000015063342 555866804 /nfs/dbraw/zinc/86/68/04/555866804.db2.gz LJVUMWFSWGRVKN-ABSORMQESA-N 0 0 451.636 4.125 50 0 JIAARN COCCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)c(F)c3)on1)CCCC2 ZINC000011915640 555866906 /nfs/dbraw/zinc/86/69/06/555866906.db2.gz OASREQCQORZLOM-UHFFFAOYSA-N 0 0 457.527 4.358 50 0 JIAARN COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N[C@H]4CCOC(C)(C)C4)c3C3CC3)ncc1CC2 ZINC000015067003 555867037 /nfs/dbraw/zinc/86/70/37/555867037.db2.gz FIZAPTFLZQGHKY-IBGZPJMESA-N 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ZINC000012380911 555969408 /nfs/dbraw/zinc/96/94/08/555969408.db2.gz KUUUTAKSMKZRII-MRXNPFEDSA-N 0 0 478.014 4.196 50 0 JIAARN O=C(CN1CCN(Cc2ccc(Br)s2)CC1)Nc1ccccc1C(F)(F)F ZINC000022916359 555970273 /nfs/dbraw/zinc/97/02/73/555970273.db2.gz ULIMEUBCTZRKGT-UHFFFAOYSA-N 0 0 462.335 4.286 50 0 JIAARN COc1ccc(Cl)cc1N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c1ccccc1 ZINC000012382019 555970449 /nfs/dbraw/zinc/97/04/49/555970449.db2.gz GUQNTRHTNFWUHX-UHFFFAOYSA-N 0 0 453.004 4.341 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](c2nc(-c3ccc4c(c3)[nH]c(=O)n4C3CCCC3)no2)C(C)C)cc1 ZINC000015729866 555970657 /nfs/dbraw/zinc/97/06/57/555970657.db2.gz LSIOEEKIEJSQEY-JOCHJYFZSA-N 0 0 495.605 4.479 50 0 JIAARN COc1ccc(N(Cc2cc(CN3CCOCC3)cs2)S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000015730221 555971773 /nfs/dbraw/zinc/97/17/73/555971773.db2.gz RPHGQHHCGQIKQQ-UHFFFAOYSA-N 0 0 490.622 4.432 50 0 JIAARN COc1cc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c([C@H](C)O)cc1OC ZINC000012383661 555971902 /nfs/dbraw/zinc/97/19/02/555971902.db2.gz CZLMPEJSMDXNLE-KLRAXDNASA-N 0 0 480.443 4.459 50 0 JIAARN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000022919370 555973367 /nfs/dbraw/zinc/97/33/67/555973367.db2.gz FWLHZMCLDVOKTC-NRFANRHFSA-N 0 0 471.045 4.354 50 0 JIAARN O=S(=O)(N[C@H]1Cc2ccccc2[C@H]1N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000022920505 555974811 /nfs/dbraw/zinc/97/48/11/555974811.db2.gz DGOIUSRBQKXVIF-IZZNHLLZSA-N 0 0 482.049 4.102 50 0 JIAARN CCOc1ccccc1NC(=O)CSc1ncc2c(n1)-c1cc(Cl)ccc1N(C)S2(=O)=O ZINC000015731794 555975405 /nfs/dbraw/zinc/97/54/05/555975405.db2.gz GAHORJKODVDBFA-UHFFFAOYSA-N 0 0 490.994 4.065 50 0 JIAARN Cc1ccc(NC(=O)CSc2ncc3c(n2)-c2ccc(Cl)cc2N(C)S3(=O)=O)c(C)c1 ZINC000015731805 555975604 /nfs/dbraw/zinc/97/56/04/555975604.db2.gz BVYFXOIKRZFHAK-UHFFFAOYSA-N 0 0 474.995 4.283 50 0 JIAARN COc1ccc(-c2nc(CN3CCN(Cn4ncn(-c5ccccc5)c4=S)CC3)cs2)cc1 ZINC000022924292 555976563 /nfs/dbraw/zinc/97/65/63/555976563.db2.gz GORPXDWGCBSHGK-UHFFFAOYSA-N 0 0 478.647 4.311 50 0 JIAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)Nc4ccc(F)cc4F)cc3)S2(=O)=O)cc1 ZINC000015732864 555977003 /nfs/dbraw/zinc/97/70/03/555977003.db2.gz RUPANNXCSWFQBA-UHFFFAOYSA-N 0 0 498.507 4.329 50 0 JIAARN C=C1C(N2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000015733017 555977942 /nfs/dbraw/zinc/97/79/42/555977942.db2.gz HROBHLDGRUZEHB-UHFFFAOYSA-N 0 0 467.591 4.136 50 0 JIAARN C=C1C(N2CCC(C(=O)Nc3ccc(OC)cc3)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000015733028 555978002 /nfs/dbraw/zinc/97/80/02/555978002.db2.gz WKNJMPUYDKHHQE-UHFFFAOYSA-N 0 0 467.591 4.081 50 0 JIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2cccs2)cc1 ZINC000012420952 555978166 /nfs/dbraw/zinc/97/81/66/555978166.db2.gz UXSJCIMOBQRVLU-QFIPXVFZSA-N 0 0 495.626 4.339 50 0 JIAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc4[nH]c5c(c4cc3C)C(=O)CCC5)C[C@H]2C)c1 ZINC000015733795 555979497 /nfs/dbraw/zinc/97/94/97/555979497.db2.gz ZOIMWYZNFBXZHC-GOSISDBHSA-N 0 0 451.592 4.203 50 0 JIAARN Cn1c2cn(-c3cc(Cl)c(N)c(Cl)c3)c(-c3ccccc3Br)c2c(=O)n(C)c1=O ZINC000012428160 555979603 /nfs/dbraw/zinc/97/96/03/555979603.db2.gz JGECXSCBQREGAC-UHFFFAOYSA-N 0 0 494.176 4.346 50 0 JIAARN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000022928813 555980124 /nfs/dbraw/zinc/98/01/24/555980124.db2.gz KTIQVXHOTXDVNX-WKCDDPOYSA-N 0 0 452.668 4.448 50 0 JIAARN CCOc1ccc(CNC(=O)CCCn2nc(-n3cccc3)c3c2nc(C)cc3C)cc1OC ZINC000015735982 555982746 /nfs/dbraw/zinc/98/27/46/555982746.db2.gz MTEGMATZRRHIRL-UHFFFAOYSA-N 0 0 461.566 4.343 50 0 JIAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cncc(Br)c1 ZINC000015744167 555984059 /nfs/dbraw/zinc/98/40/59/555984059.db2.gz TTYLYAHHLXRGKC-UHFFFAOYSA-N 0 0 468.279 4.175 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000022931919 555984814 /nfs/dbraw/zinc/98/48/14/555984814.db2.gz GHIBJZZIKVOOHT-UHFFFAOYSA-N 0 0 473.499 4.129 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccc(OC)cc2)NC(=O)c2ccccc2OC)cc1 ZINC000015746674 555985028 /nfs/dbraw/zinc/98/50/28/555985028.db2.gz FMSOYNRVPYXEMT-HAVVHWLPSA-N 0 0 474.513 4.290 50 0 JIAARN COc1cccc(-c2nc(CN3CCN(CC(=O)Nc4ccccc4Cl)CC3)cs2)c1 ZINC000022933561 555986318 /nfs/dbraw/zinc/98/63/18/555986318.db2.gz OQNBSIAOFIWGSR-UHFFFAOYSA-N 0 0 456.999 4.228 50 0 JIAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 ZINC000015768645 555987050 /nfs/dbraw/zinc/98/70/50/555987050.db2.gz VNJQRXPLUKHIME-UHFFFAOYSA-N 0 0 452.157 4.161 50 0 JIAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CN2CCN([C@H](C)c3nc4ccccc4s3)CC2)C1=O ZINC000022934828 555987388 /nfs/dbraw/zinc/98/73/88/555987388.db2.gz VRMOJSUKLUJUPJ-BCHFMIIMSA-N 0 0 477.634 4.180 50 0 JIAARN COc1ccc(C2=NCC(=O)N(CC(=O)Nc3ccc(F)cc3F)c3sc4c(c32)CCC4)cc1 ZINC000015775444 555993599 /nfs/dbraw/zinc/99/35/99/555993599.db2.gz ILBNKPFULXSOSO-UHFFFAOYSA-N 0 0 481.524 4.346 50 0 JIAARN CN(C)C(=O)c1ccc(NC(=O)Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 ZINC000022983950 555994969 /nfs/dbraw/zinc/99/49/69/555994969.db2.gz IFDVZIZATUMCRV-UHFFFAOYSA-N 0 0 466.950 4.119 50 0 JIAARN COc1cc(OC)c(NC(=O)c2cnc(NCc3ccc4c(c3)OCO4)nc2C)cc1Cl ZINC000015778335 555997614 /nfs/dbraw/zinc/99/76/14/555997614.db2.gz UWZMJPARZSKBOQ-UHFFFAOYSA-N 0 0 456.886 4.049 50 0 JIAARN Cc1nc(SCC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)n(C2CCCCC2)c1C ZINC000012530163 556000007 /nfs/dbraw/zinc/00/00/07/556000007.db2.gz BHCXHMJLUAQCOP-RUZDIDTESA-N 0 0 483.638 4.072 50 0 JIAARN COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc5c(c4)NC(=O)[C@@H](C)S5)CC3)cs2)cc1 ZINC000023024866 556000444 /nfs/dbraw/zinc/00/04/44/556000444.db2.gz JRVYSAOYKDQFRW-MRXNPFEDSA-N 0 0 494.642 4.209 50 0 JIAARN COc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](c4ccccc4)C(=O)N32)cc(OC)c1 ZINC000015783490 556001930 /nfs/dbraw/zinc/00/19/30/556001930.db2.gz KLERHBXCEGVNEJ-HSZRJFAPSA-N 0 0 486.553 4.407 50 0 JIAARN COc1ccccc1N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1cccs1 ZINC000023053426 556002260 /nfs/dbraw/zinc/00/22/60/556002260.db2.gz DAEAYUDXIYJAQZ-UHFFFAOYSA-N 0 0 486.493 4.489 50 0 JIAARN NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 ZINC000012532835 556004270 /nfs/dbraw/zinc/00/42/70/556004270.db2.gz KWDHDUXCFKANEN-UHFFFAOYSA-N 0 0 451.530 4.491 50 0 JIAARN COc1ccc(-c2nnc(S[C@@H](C)c3nc(-c4ccncc4)no3)n2C[C@@H]2CCCO2)cc1 ZINC000023076110 556005189 /nfs/dbraw/zinc/00/51/89/556005189.db2.gz MGKGHBXMZULDMM-KXBFYZLASA-N 0 0 464.551 4.431 50 0 JIAARN COc1ccc(-c2nnc(S[C@H](C)c3nc(-c4ccncc4)no3)n2C[C@H]2CCCO2)cc1 ZINC000023076116 556005259 /nfs/dbraw/zinc/00/52/59/556005259.db2.gz MGKGHBXMZULDMM-DNVCBOLYSA-N 0 0 464.551 4.431 50 0 JIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(C)c(C)n1C[C@H]1CCCO1 ZINC000012535260 556007873 /nfs/dbraw/zinc/00/78/73/556007873.db2.gz QWCFECCJIWJNJB-MRXNPFEDSA-N 0 0 451.614 4.265 50 0 JIAARN O=C(Cn1nc(-c2ccc(F)cc2)c2sc(N3CCCC3)nc2c1=O)Nc1ccccc1F ZINC000023108787 556009734 /nfs/dbraw/zinc/00/97/34/556009734.db2.gz YSYMCRPYJXCGIY-UHFFFAOYSA-N 0 0 467.501 4.037 50 0 JIAARN CCc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)c3sc(N4CCCC4)nc3c2=O)cc1 ZINC000023108785 556009741 /nfs/dbraw/zinc/00/97/41/556009741.db2.gz VHTPUWYZFUKNNR-UHFFFAOYSA-N 0 0 477.565 4.460 50 0 JIAARN CCc1ccccc1NC(=O)Cn1nc(-c2cccs2)c2sc(N3CCCC3)nc2c1=O ZINC000023108862 556009780 /nfs/dbraw/zinc/00/97/80/556009780.db2.gz AOUMOOGRMFDKLT-UHFFFAOYSA-N 0 0 465.604 4.383 50 0 JIAARN COc1cccc(N2CCN(C(=O)c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)CC2)c1 ZINC000012537439 556010570 /nfs/dbraw/zinc/01/05/70/556010570.db2.gz SWTDNRWPPANSFS-UHFFFAOYSA-N 0 0 485.993 4.112 50 0 JIAARN Cc1c(CCNS(=O)(=O)c2ccc(Br)cc2)sc2nc(-c3ccc(C)cc3)nn12 ZINC000015823500 556012055 /nfs/dbraw/zinc/01/20/55/556012055.db2.gz JUPRZSJZDCAGPM-UHFFFAOYSA-N 0 0 491.436 4.358 50 0 JIAARN Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000012540195 556013949 /nfs/dbraw/zinc/01/39/49/556013949.db2.gz PBNMQXLCTGXRIA-UHFFFAOYSA-N 0 0 492.601 4.187 50 0 JIAARN O=C(Cn1cccc(-c2nc(-c3ccccc3)no2)c1=O)Nc1ccc(Br)cc1F ZINC000023125843 556014071 /nfs/dbraw/zinc/01/40/71/556014071.db2.gz JRQRPNITHPQBSK-UHFFFAOYSA-N 0 0 469.270 4.106 50 0 JIAARN CCc1ccc(N2C(=O)N(CC(=O)N(CC)Cc3ccccc3)c3ccccc3S2(=O)=O)cc1 ZINC000015826946 556014150 /nfs/dbraw/zinc/01/41/50/556014150.db2.gz HCSORBHJRTVZFU-UHFFFAOYSA-N 0 0 477.586 4.433 50 0 JIAARN Cc1cccn2cc(COc3ccc(C(=O)Nc4ccccc4C(=O)NC[C@@H]4CCCO4)cc3)nc12 ZINC000012541406 556015282 /nfs/dbraw/zinc/01/52/82/556015282.db2.gz WIWWIIIPKLHPFF-QHCPKHFHSA-N 0 0 484.556 4.383 50 0 JIAARN Cc1cccn2cc(COc3ccc(C(=O)Nc4ccccc4C(=O)NC[C@H]4CCCO4)cc3)nc12 ZINC000012541407 556015292 /nfs/dbraw/zinc/01/52/92/556015292.db2.gz WIWWIIIPKLHPFF-HSZRJFAPSA-N 0 0 484.556 4.383 50 0 JIAARN O=C(Nc1cccc(Cl)c1)c1nnc(C2CCN(S(=O)(=O)c3ccccc3)CC2)s1 ZINC000015828024 556015454 /nfs/dbraw/zinc/01/54/54/556015454.db2.gz AASSIXHZULQZBE-UHFFFAOYSA-N 0 0 462.984 4.012 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(C)cc3)cc(C(=O)Nc3ccc(F)cc3)c12 ZINC000023128250 556017257 /nfs/dbraw/zinc/01/72/57/556017257.db2.gz DHFFJTLUJOTQGE-FQEVSTJZSA-N 0 0 478.549 4.466 50 0 JIAARN Cc1cc(C)c2c(=O)cc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)oc2c1 ZINC000015831206 556017375 /nfs/dbraw/zinc/01/73/75/556017375.db2.gz OJPQCEPPKWNWOS-HNNXBMFYSA-N 0 0 466.559 4.121 50 0 JIAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C/C(=O)OCC(=O)NC(=O)NCCC(C)C ZINC000012542539 556018137 /nfs/dbraw/zinc/01/81/37/556018137.db2.gz WAYYPLFAINTXRU-CMDGGOBGSA-N 0 0 495.407 4.283 50 0 JIAARN C[C@@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000012543156 556019146 /nfs/dbraw/zinc/01/91/46/556019146.db2.gz RDAIIBQRRLTSDG-OAQYLSRUSA-N 0 0 484.629 4.154 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc(C)c2cnn(-c3ccccc3OC)c21 ZINC000023137879 556020753 /nfs/dbraw/zinc/02/07/53/556020753.db2.gz MSUWNSIDHCIFIN-UHFFFAOYSA-N 0 0 477.546 4.040 50 0 JIAARN O=C(Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCCC1)c1ccccc1 ZINC000015837252 556020900 /nfs/dbraw/zinc/02/09/00/556020900.db2.gz FNBJEISBQKJBQJ-RUZDIDTESA-N 0 0 455.558 4.293 50 0 JIAARN COc1ccc(CNC(=O)Cn2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)CSC3)cc1 ZINC000023139539 556021241 /nfs/dbraw/zinc/02/12/41/556021241.db2.gz HBWIRRGOMXEUIV-UHFFFAOYSA-N 0 0 490.507 4.226 50 0 JIAARN CCn1nc(SCC(=O)NCc2ccccc2)n2c1nc1c(c2=O)[C@@](C)(CC)Cc2ccccc2-1 ZINC000015839320 556022782 /nfs/dbraw/zinc/02/27/82/556022782.db2.gz WAVKUUWYNVDVHT-MHZLTWQESA-N 0 0 487.629 4.210 50 0 JIAARN CC[C@]1(C)Cc2ccccc2-c2nc3n(C)nc(SCC(=O)Nc4cccc(C)c4)n3c(=O)c21 ZINC000015839426 556022811 /nfs/dbraw/zinc/02/28/11/556022811.db2.gz KRDDEMPNFVPVCM-AREMUKBSSA-N 0 0 473.602 4.358 50 0 JIAARN COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153733 556024553 /nfs/dbraw/zinc/02/45/53/556024553.db2.gz WABRQRMXJWOSTH-UHFFFAOYSA-N 0 0 496.585 4.371 50 0 JIAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N(Cc3ccccc3)c3ccccc3)c(Cl)c2)C1=O ZINC000015858468 556025733 /nfs/dbraw/zinc/02/57/33/556025733.db2.gz KCHUKAIEYBWBFX-KRWDZBQOSA-N 0 0 468.962 4.500 50 0 JIAARN COc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000012548568 556026875 /nfs/dbraw/zinc/02/68/75/556026875.db2.gz FGTTZODAWNTVJL-UHFFFAOYSA-N 0 0 494.491 4.324 50 0 JIAARN COc1ccccc1N1CCN([C@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000023182134 556028326 /nfs/dbraw/zinc/02/83/26/556028326.db2.gz JYIHYNKMUQPQIY-KOSHJBKYSA-N 0 0 489.638 4.126 50 0 JIAARN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000023181938 556028363 /nfs/dbraw/zinc/02/83/63/556028363.db2.gz ROZSWNCULBCUND-WZONZLPQSA-N 0 0 459.612 4.118 50 0 JIAARN CSc1ncc(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)n1-c1ccccc1 ZINC000012550151 556030936 /nfs/dbraw/zinc/03/09/36/556030936.db2.gz DVJUJRYKVZEPBX-UHFFFAOYSA-N 0 0 473.396 4.376 50 0 JIAARN COc1cccc(-n2cnnc2SCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000012550542 556031717 /nfs/dbraw/zinc/03/17/17/556031717.db2.gz COCSDJDDEUTBCS-INIZCTEOSA-N 0 0 465.604 4.384 50 0 JIAARN CC[C@@H](c1nnc(SCC(=O)NC(=O)c2ccc(Cl)cc2)n1Cc1ccccc1)N(C)C ZINC000012550832 556032400 /nfs/dbraw/zinc/03/24/00/556032400.db2.gz KVOCPHAYIUASCZ-IBGZPJMESA-N 0 0 472.014 4.041 50 0 JIAARN COc1ccc(-c2nc(CN3CCN(CC(=O)Nc4ccccc4Cl)CC3)cs2)cc1 ZINC000023248777 556034516 /nfs/dbraw/zinc/03/45/16/556034516.db2.gz HFGIDZBUEUAWTR-UHFFFAOYSA-N 0 0 456.999 4.228 50 0 JIAARN O=C(NCCc1ccc(OC(F)F)cc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012552097 556034597 /nfs/dbraw/zinc/03/45/97/556034597.db2.gz YAJWEOXPSJLBOM-UHFFFAOYSA-N 0 0 464.465 4.200 50 0 JIAARN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)cc2)c1C ZINC000012552450 556035576 /nfs/dbraw/zinc/03/55/76/556035576.db2.gz HZXQVSNAXDCSRR-UHFFFAOYSA-N 0 0 466.559 4.148 50 0 JIAARN O=C(Nc1cccc2c1CCCC2)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000012552685 556035904 /nfs/dbraw/zinc/03/59/04/556035904.db2.gz DCMHYOKDZIHTNV-UHFFFAOYSA-N 0 0 464.543 4.390 50 0 JIAARN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=S)N[C@H]1c1cnn(Cc2ccccc2)c1 ZINC000012552844 556036343 /nfs/dbraw/zinc/03/63/43/556036343.db2.gz JQDNCUIUZMXPQA-NRFANRHFSA-N 0 0 452.967 4.468 50 0 JIAARN COc1ccc(NC(=O)c2ccc(NCc3nc(N)nc(Nc4ccccc4C)n3)cc2)cc1 ZINC000012554258 556038284 /nfs/dbraw/zinc/03/82/84/556038284.db2.gz LXJLRYFULKUSJL-UHFFFAOYSA-N 0 0 455.522 4.379 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000015865457 556041579 /nfs/dbraw/zinc/04/15/79/556041579.db2.gz AYYBSCCPXSAQIU-UHFFFAOYSA-N 0 0 472.501 4.403 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ncccc4o3)cc2)cc1 ZINC000015867761 556043832 /nfs/dbraw/zinc/04/38/32/556043832.db2.gz QZEZXKGLHLLDRL-UHFFFAOYSA-N 0 0 454.533 4.063 50 0 JIAARN O=C(NCCc1nc2ccccc2[nH]1)c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1 ZINC000015867925 556044272 /nfs/dbraw/zinc/04/42/72/556044272.db2.gz GBFQPGVUKGUBST-UHFFFAOYSA-N 0 0 453.546 4.368 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCSCc3ccsc3)c2)cc1 ZINC000012557279 556044912 /nfs/dbraw/zinc/04/49/12/556044912.db2.gz OXWJITRYYIXXSM-UHFFFAOYSA-N 0 0 462.618 4.221 50 0 JIAARN CC[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000015868427 556045473 /nfs/dbraw/zinc/04/54/73/556045473.db2.gz NJCLAMITUATDLA-JLTOFOAXSA-N 0 0 498.432 4.314 50 0 JIAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000023336068 556045771 /nfs/dbraw/zinc/04/57/71/556045771.db2.gz PXDVJKVYLYPBCN-UHFFFAOYSA-N 0 0 471.022 4.453 50 0 JIAARN O=C(Cn1cnc2ccccc2c1=O)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000023359754 556049022 /nfs/dbraw/zinc/04/90/22/556049022.db2.gz JCEHBVAZLNNXSL-JOCHJYFZSA-N 0 0 477.446 4.197 50 0 JIAARN CC(=O)Nc1c(C)cc(C)c(C(=O)COC(=O)Cn2c3ccccc3nc2C(F)(F)F)c1C ZINC000012559534 556050021 /nfs/dbraw/zinc/05/00/21/556050021.db2.gz AHLYGUVTYUDULS-UHFFFAOYSA-N 0 0 461.440 4.365 50 0 JIAARN CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(CC)CC3)cc1 ZINC000015880194 556052275 /nfs/dbraw/zinc/05/22/75/556052275.db2.gz YXWOGXIMOSNOIF-UHFFFAOYSA-N 0 0 476.668 4.117 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)ccc2C)cc1 ZINC000012560556 556052641 /nfs/dbraw/zinc/05/26/41/556052641.db2.gz NYIJENWIOXSVSS-UHFFFAOYSA-N 0 0 466.559 4.148 50 0 JIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2ccc(S(C)(=O)=O)nn2)c1 ZINC000015880818 556052812 /nfs/dbraw/zinc/05/28/12/556052812.db2.gz UOPVYTXCFZBPLM-LBPRGKRZSA-N 0 0 466.346 4.260 50 0 JIAARN CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cc(Br)ccc3Cl)c2)nn1 ZINC000015880808 556052861 /nfs/dbraw/zinc/05/28/61/556052861.db2.gz DGJQSYYRAVCEHI-UHFFFAOYSA-N 0 0 466.744 4.215 50 0 JIAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)cc1 ZINC000015882209 556055614 /nfs/dbraw/zinc/05/56/14/556055614.db2.gz CLZDOSJJAJQVBI-UHFFFAOYSA-N 0 0 450.564 4.383 50 0 JIAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCOCC1)c2NC(=O)c1cccc(OC(F)F)c1 ZINC000012562121 556056175 /nfs/dbraw/zinc/05/61/75/556056175.db2.gz QVILCCCOPBIISP-UHFFFAOYSA-N 0 0 461.490 4.239 50 0 JIAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCOCC1)c2NC(=O)c1ccc(OC(F)F)cc1 ZINC000012562863 556057367 /nfs/dbraw/zinc/05/73/67/556057367.db2.gz YXIADGWKKUOOOO-UHFFFAOYSA-N 0 0 461.490 4.239 50 0 JIAARN COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)cn1 ZINC000012563141 556058025 /nfs/dbraw/zinc/05/80/25/556058025.db2.gz NHCOSQBIQPQSPO-UHFFFAOYSA-N 0 0 487.581 4.416 50 0 JIAARN CCOC(=O)c1cc(NC(=O)COC(=O)CCCc2nc3ccccc3s2)cc(C(=O)OCC)c1 ZINC000012563732 556059084 /nfs/dbraw/zinc/05/90/84/556059084.db2.gz GPBUMSAJZMVAEU-UHFFFAOYSA-N 0 0 498.557 4.154 50 0 JIAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(c2nc(-c3ccccc3F)no2)CC1 ZINC000023439864 556059875 /nfs/dbraw/zinc/05/98/75/556059875.db2.gz XFLXPBVCEWTOGA-UHFFFAOYSA-N 0 0 471.432 4.343 50 0 JIAARN O=C(NC[C@@H]1COc2ccccc2O1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 ZINC000012564534 556060647 /nfs/dbraw/zinc/06/06/47/556060647.db2.gz CERYHCXOUQCPSB-OAQYLSRUSA-N 0 0 477.524 4.111 50 0 JIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000012565434 556062424 /nfs/dbraw/zinc/06/24/24/556062424.db2.gz VLUZTIFJLWVFDP-NRFANRHFSA-N 0 0 494.569 4.341 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CC4CCCC4)CC3)cc2)n(-c2ccccn2)n1 ZINC000023446086 556062683 /nfs/dbraw/zinc/06/26/83/556062683.db2.gz VKRBSKOZDFGTQR-UHFFFAOYSA-N 0 0 487.604 4.340 50 0 JIAARN C[C@H](NC(=O)COC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C12CC3CC(CC(C3)C1)C2 ZINC000012566061 556063824 /nfs/dbraw/zinc/06/38/24/556063824.db2.gz PXHSKXLBRTYVBA-GLCHGYBISA-N 0 0 497.661 4.060 50 0 JIAARN COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000012566478 556064453 /nfs/dbraw/zinc/06/44/53/556064453.db2.gz BKJHLDKRCBHDCF-OAQYLSRUSA-N 0 0 495.359 4.399 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)[C@@H](C)C(=O)N4)n2C[C@H]2CCCO2)cc1 ZINC000012567255 556066262 /nfs/dbraw/zinc/06/62/62/556066262.db2.gz JKFNJZBCROPOHH-DNVCBOLYSA-N 0 0 478.574 4.163 50 0 JIAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)Nc1sccc1C(N)=O ZINC000012567552 556066819 /nfs/dbraw/zinc/06/68/19/556066819.db2.gz MCAXOBYJZOZNTN-NSHDSACASA-N 0 0 452.565 4.041 50 0 JIAARN O=C(c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012567498 556066847 /nfs/dbraw/zinc/06/68/47/556066847.db2.gz PYSFOQYHVHXCBU-HNNXBMFYSA-N 0 0 476.023 4.410 50 0 JIAARN Cc1cc(N2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)CC2)nc(C(C)C)n1 ZINC000012567483 556066886 /nfs/dbraw/zinc/06/68/86/556066886.db2.gz MFTNMEQFXYGMJX-UHFFFAOYSA-N 0 0 481.604 4.178 50 0 JIAARN Cc1cc(C(=O)CSc2nnc(NC[C@H]3CCCO3)s2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000012567880 556067713 /nfs/dbraw/zinc/06/77/13/556067713.db2.gz GVGFGWOCLNKSEW-QGZVFWFLSA-N 0 0 486.619 4.299 50 0 JIAARN COCCCN1C(=O)c2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1c1ccc(O)c(OC)c1 ZINC000015920707 556069200 /nfs/dbraw/zinc/06/92/00/556069200.db2.gz JIGVUOOOLIDASS-NRFANRHFSA-N 0 0 472.339 4.135 50 0 JIAARN COc1ccccc1NC(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000015922072 556069380 /nfs/dbraw/zinc/06/93/80/556069380.db2.gz RYKAHCAZSPZQHY-OAQYLSRUSA-N 0 0 468.557 4.242 50 0 JIAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)Nc2ccccc2C(=O)c2ccccc2)C1=O ZINC000012568763 556069731 /nfs/dbraw/zinc/06/97/31/556069731.db2.gz NVDRXELNATWDDG-LJAQVGFWSA-N 0 0 477.520 4.477 50 0 JIAARN C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1=O ZINC000012568990 556070718 /nfs/dbraw/zinc/07/07/18/556070718.db2.gz POFVQUVTBFTYOQ-DHLKQENFSA-N 0 0 477.517 4.306 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1CCc1ccc(Cl)cc1 ZINC000012569394 556071719 /nfs/dbraw/zinc/07/17/19/556071719.db2.gz CCOSYPJRFANVID-HHHXNRCGSA-N 0 0 491.975 4.414 50 0 JIAARN Cc1sc2nc(CSc3ccccc3)nc(N3CCN(CC(=O)N4CCCC4)CC3)c2c1C ZINC000012569493 556071960 /nfs/dbraw/zinc/07/19/60/556071960.db2.gz MHPWQFQYIZAHGA-UHFFFAOYSA-N 0 0 481.691 4.345 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(N4CCCC4=O)cc3)cc2)cc1 ZINC000015934662 556072184 /nfs/dbraw/zinc/07/21/84/556072184.db2.gz ZQMIMUCJKSLPIM-UHFFFAOYSA-N 0 0 464.543 4.166 50 0 JIAARN C[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccc2c(c1)CCCC2 ZINC000012576865 556075960 /nfs/dbraw/zinc/07/59/60/556075960.db2.gz VEDXPRVTTQKZQY-HNNXBMFYSA-N 0 0 472.515 4.116 50 0 JIAARN O=C(Nc1ccc(Br)cc1Br)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000015940658 556075959 /nfs/dbraw/zinc/07/59/59/556075959.db2.gz COJPVALZWYTQTF-CYBMUJFWSA-N 0 0 452.146 4.199 50 0 JIAARN COc1cccc(CN(C)C(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)c1OC ZINC000023528249 556076714 /nfs/dbraw/zinc/07/67/14/556076714.db2.gz QHNYKSFUSZZIHV-UHFFFAOYSA-N 0 0 472.538 4.224 50 0 JIAARN CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)CSc2ccc3ccccc3c2Br)C1 ZINC000012579092 556077712 /nfs/dbraw/zinc/07/77/12/556077712.db2.gz TXOPMLUKRJFJRP-INIZCTEOSA-N 0 0 494.407 4.039 50 0 JIAARN COCCN(Cc1ccccc1)C(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O ZINC000012579223 556078121 /nfs/dbraw/zinc/07/81/21/556078121.db2.gz KDUFBTPLWBKLKH-UHFFFAOYSA-N 0 0 453.589 4.170 50 0 JIAARN COCCN(Cc1ccccc1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000023597482 556079911 /nfs/dbraw/zinc/07/99/11/556079911.db2.gz LOVUAGBBWLLHPN-UHFFFAOYSA-N 0 0 456.539 4.224 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)sc3c2SC[C@]2(C)COc4ccccc4[C@@H]32)cc1 ZINC000012583096 556080377 /nfs/dbraw/zinc/08/03/77/556080377.db2.gz SKQPUMUIUOAOJU-CPJSRVTESA-N 0 0 496.610 4.362 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)sc3c2SC[C@@]2(C)COc4ccccc4[C@@H]32)cc1 ZINC000012583087 556080499 /nfs/dbraw/zinc/08/04/99/556080499.db2.gz SKQPUMUIUOAOJU-NBGIEHNGSA-N 0 0 496.610 4.362 50 0 JIAARN O=C(Nc1ccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1)c1ccco1 ZINC000023642525 556081551 /nfs/dbraw/zinc/08/15/51/556081551.db2.gz NMYIEBPQXFNRKO-UHFFFAOYSA-N 0 0 453.926 4.022 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000023649192 556081981 /nfs/dbraw/zinc/08/19/81/556081981.db2.gz GHTHWHUHMVVWFV-UHFFFAOYSA-N 0 0 485.588 4.344 50 0 JIAARN O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012590749 556087021 /nfs/dbraw/zinc/08/70/21/556087021.db2.gz JQGSSHQAJJYIKL-QHCPKHFHSA-N 0 0 451.526 4.185 50 0 JIAARN COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)c1 ZINC000015956883 556088804 /nfs/dbraw/zinc/08/88/04/556088804.db2.gz KEKPWUFWEMJLKP-DVZSRJOUSA-N 0 0 465.546 4.341 50 0 biogenic JIAARN COc1ccc(OC)c([C@H]2CCCN2CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 ZINC000023851941 556092354 /nfs/dbraw/zinc/09/23/54/556092354.db2.gz ZPCAMCCYCDMFMC-XMMPIXPASA-N 0 0 471.557 4.294 50 0 JIAARN COc1ccc(NC(=O)CN(C)C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 ZINC000015968530 556094571 /nfs/dbraw/zinc/09/45/71/556094571.db2.gz FSMTUETWLSYYIJ-HSZRJFAPSA-N 0 0 479.964 4.307 50 0 JIAARN CCCCNC(=O)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)[C@@H](C)CC ZINC000015970471 556096336 /nfs/dbraw/zinc/09/63/36/556096336.db2.gz PEMBDPCYQVOASM-AGJVCJGDSA-N 0 0 486.616 4.085 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)NC3(CCCCCC3)C1=O)CC2 ZINC000023881079 556097845 /nfs/dbraw/zinc/09/78/45/556097845.db2.gz PFHMVTZPHHHQKS-DEOSSOPVSA-N 0 0 463.578 4.254 50 0 JIAARN COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4C=Cc5ccccc5[C@H]34)C2O)c(OC)c1 ZINC000015974847 556097880 /nfs/dbraw/zinc/09/78/80/556097880.db2.gz SBEAYHPAOROGRS-QUMGSSFMSA-N 0 0 480.520 4.102 50 0 JIAARN 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Cc1cc(-c2csc(Cn3c(CN4CCOCC4)nc4ccccc4c3=O)n2)c(C)n1C1CC1 ZINC000023968652 556109398 /nfs/dbraw/zinc/10/93/98/556109398.db2.gz VRYIMARITULVHW-UHFFFAOYSA-N 0 0 475.618 4.154 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NC2CC2)ccc1C ZINC000016015698 556112735 /nfs/dbraw/zinc/11/27/35/556112735.db2.gz YRKOZHGRIPJWHR-UHFFFAOYSA-N 0 0 477.586 4.355 50 0 JIAARN COc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000024022637 556116660 /nfs/dbraw/zinc/11/66/60/556116660.db2.gz GRHYRVDULSAIJX-LJAQVGFWSA-N 0 0 496.611 4.226 50 0 JIAARN Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)n1 ZINC000024023372 556116961 /nfs/dbraw/zinc/11/69/61/556116961.db2.gz GICCRGYFXLBKTL-UHFFFAOYSA-N 0 0 468.355 4.380 50 0 JIAARN CC(C)n1c(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)nc2cc(Cl)ccc2c1=O ZINC000024047831 556117910 /nfs/dbraw/zinc/11/79/10/556117910.db2.gz PJOQRTLQMLSGDF-CYBMUJFWSA-N 0 0 480.011 4.366 50 0 JIAARN CCOc1ccc(OCC)c(NC(=O)C2=NN(c3c(F)c(F)cc(F)c3F)C(=O)CC2)c1 ZINC000024041457 556117992 /nfs/dbraw/zinc/11/79/92/556117992.db2.gz LKPCJZZGMKAMFP-UHFFFAOYSA-N 0 0 453.392 4.162 50 0 JIAARN CCOc1ccc(CCNC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1OCC ZINC000016035458 556118961 /nfs/dbraw/zinc/11/89/61/556118961.db2.gz CIRMXOPXPFAMSH-PKNBQFBNSA-N 0 0 465.468 4.418 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000016037212 556119848 /nfs/dbraw/zinc/11/98/48/556119848.db2.gz WMSURMSSWIEERN-LIONHTAISA-N 0 0 468.484 4.233 50 0 JIAARN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cn1nnc2ccccc21 ZINC000024092585 556121042 /nfs/dbraw/zinc/12/10/42/556121042.db2.gz DQNLEVJFDLBACS-UHFFFAOYSA-N 0 0 459.506 4.120 50 0 JIAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000016044510 556124580 /nfs/dbraw/zinc/12/45/80/556124580.db2.gz FVUSYNBKTYKKKL-UHFFFAOYSA-N 0 0 499.032 4.313 50 0 JIAARN COc1ccc(NC(=O)c2ccc(NC(=O)[C@H](NC(=O)c3ccccc3F)C(C)C)cc2)cc1 ZINC000012908606 556127768 /nfs/dbraw/zinc/12/77/68/556127768.db2.gz JQKZHBRNCOIWRQ-HSZRJFAPSA-N 0 0 463.509 4.480 50 0 JIAARN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000024248008 556127846 /nfs/dbraw/zinc/12/78/46/556127846.db2.gz OVYBUEPLVHUWND-MSOLQXFVSA-N 0 0 471.069 4.093 50 0 JIAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2OC)N3)C1 ZINC000016185260 556127997 /nfs/dbraw/zinc/12/79/97/556127997.db2.gz GTBDVNZCURNWJU-MRXNPFEDSA-N 0 0 466.357 4.463 50 0 JIAARN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000016225195 556129851 /nfs/dbraw/zinc/12/98/51/556129851.db2.gz JDOMLBSQIZDVQR-UHFFFAOYSA-N 0 0 472.950 4.330 50 0 JIAARN COc1ccc(C)cc1NC(=O)[C@H](OC(=O)C[C@H]1Oc2ccccc2NC1=O)c1ccccc1 ZINC000024357925 556129944 /nfs/dbraw/zinc/12/99/44/556129944.db2.gz SXKHKYJHCKSDOE-ISKFKSNPSA-N 0 0 460.486 4.016 50 0 JIAARN COc1ccc(CCN(C)C(=O)CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1OC ZINC000012911527 556130440 /nfs/dbraw/zinc/13/04/40/556130440.db2.gz XONHBJPURUPVBC-UHFFFAOYSA-N 0 0 487.618 4.269 50 0 JIAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)OCc3cc(C)no3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000024421064 556130880 /nfs/dbraw/zinc/13/08/80/556130880.db2.gz DNVOLZXUSFBCQG-PXDATVDWSA-N 0 0 480.517 4.237 50 0 JIAARN COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)c(C)nc2c1 ZINC000012911896 556131059 /nfs/dbraw/zinc/13/10/59/556131059.db2.gz NFIPVXJXQKSZDZ-UHFFFAOYSA-N 0 0 494.400 4.005 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1 ZINC000012912157 556131318 /nfs/dbraw/zinc/13/13/18/556131318.db2.gz NZCTYDNBSWJDDP-UHFFFAOYSA-N 0 0 491.491 4.056 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cccc(C(C)C)c3)c12 ZINC000024549162 556135513 /nfs/dbraw/zinc/13/55/13/556135513.db2.gz XHRMQZBAELCOEF-IBGZPJMESA-N 0 0 452.580 4.352 50 0 JIAARN CCCCN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012918046 556137025 /nfs/dbraw/zinc/13/70/25/556137025.db2.gz OWMDRJYNCBORGJ-UHFFFAOYSA-N 0 0 458.946 4.279 50 0 JIAARN COc1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)cc1OC ZINC000024582837 556137144 /nfs/dbraw/zinc/13/71/44/556137144.db2.gz ZHVHPOSKBYTGDH-QHCPKHFHSA-N 0 0 491.975 4.496 50 0 JIAARN CCc1c(C)sc2nc(SCc3c(C)nn(C)c3Cl)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000012918764 556137877 /nfs/dbraw/zinc/13/78/77/556137877.db2.gz SMZCNNLCMNLZAI-ZDUSSCGKSA-N 0 0 453.033 4.495 50 0 JIAARN COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)NC(C)(C)C ZINC000016436645 556139212 /nfs/dbraw/zinc/13/92/12/556139212.db2.gz FPRMXCJYTLQUTN-UHFFFAOYSA-N 0 0 457.619 4.182 50 0 JIAARN CCCN(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C)cc1)C(=O)NCC(=O)OCC ZINC000016436422 556139240 /nfs/dbraw/zinc/13/92/40/556139240.db2.gz XWVCUMXUCXPJSB-UHFFFAOYSA-N 0 0 491.592 4.079 50 0 JIAARN Cc1ccccc1CSCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607364 556139303 /nfs/dbraw/zinc/13/93/03/556139303.db2.gz IZOBNGGOABATSL-UHFFFAOYSA-N 0 0 481.083 4.240 50 0 JIAARN Cc1ccc(OCc2nc(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)cs2)cc1 ZINC000012921610 556140236 /nfs/dbraw/zinc/14/02/36/556140236.db2.gz DSWGKXWKWIBYSJ-UHFFFAOYSA-N 0 0 450.969 4.269 50 0 JIAARN Cc1ccc(SCCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000024610527 556140701 /nfs/dbraw/zinc/14/07/01/556140701.db2.gz XGSXWQXRKGAZKW-UHFFFAOYSA-N 0 0 467.056 4.099 50 0 JIAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ncc(Cc3ccc(OC(F)(F)F)cc3)s1)CS2 ZINC000012923840 556142110 /nfs/dbraw/zinc/14/21/10/556142110.db2.gz HITVRGDCDZQXPK-RDTXWAMCSA-N 0 0 457.499 4.025 50 0 JIAARN CCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(CC(C)C)C1=O ZINC000016570855 556143077 /nfs/dbraw/zinc/14/30/77/556143077.db2.gz WABUHFYGPOJIQQ-UHFFFAOYSA-O 0 0 486.379 4.128 50 0 JIAARN Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(c2ccccc2F)C1=O ZINC000016570991 556143475 /nfs/dbraw/zinc/14/34/75/556143475.db2.gz KQCCKXDGBUZYFW-UHFFFAOYSA-O 0 0 489.914 4.216 50 0 JIAARN Cc1nc2sc3c(c2c(N2CCN(Cc4nc(-c5ccccc5)no4)CC2)n1)CC[C@@H](C)C3 ZINC000024660230 556144218 /nfs/dbraw/zinc/14/42/18/556144218.db2.gz PHLZDMIBIJNVSK-MRXNPFEDSA-N 0 0 460.607 4.497 50 0 JIAARN CC(C)c1c(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cnn1-c1ccc(F)cc1 ZINC000024694741 556145743 /nfs/dbraw/zinc/14/57/43/556145743.db2.gz VSYLRFKEYZUCNE-UHFFFAOYSA-N 0 0 480.569 4.204 50 0 JIAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O ZINC000012927792 556145794 /nfs/dbraw/zinc/14/57/94/556145794.db2.gz WPCRDDOFJSETJK-UHFFFAOYSA-N 0 0 477.467 4.175 50 0 JIAARN CCC(=O)c1ccc(OCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)cc1 ZINC000024696944 556145894 /nfs/dbraw/zinc/14/58/94/556145894.db2.gz GXGGYRMFINJERK-UHFFFAOYSA-N 0 0 455.580 4.403 50 0 JIAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc4c(c3)NC(=O)CO4)o2)cc1 ZINC000024721735 556147164 /nfs/dbraw/zinc/14/71/64/556147164.db2.gz CZSMRPRUVCHGSI-CQSZACIVSA-N 0 0 452.536 4.277 50 0 JIAARN Cc1c2ccccc2sc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000012935022 556150552 /nfs/dbraw/zinc/15/05/52/556150552.db2.gz MVAZEVHQMRCQAX-UHFFFAOYSA-N 0 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C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000024821686 556156525 /nfs/dbraw/zinc/15/65/25/556156525.db2.gz QABAOGXFGVPEQA-INIZCTEOSA-N 0 0 465.604 4.370 50 0 JIAARN Cc1c(-c2ccccc2)sc(NC(=O)CN(Cc2ccco2)C2CC2)c1C(=O)N1CCOCC1 ZINC000024829117 556157194 /nfs/dbraw/zinc/15/71/94/556157194.db2.gz FSAWWNPRPQJCCF-UHFFFAOYSA-N 0 0 479.602 4.392 50 0 JIAARN CC(=O)c1ccc(OCC(=O)OCC[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000024829965 556157790 /nfs/dbraw/zinc/15/77/90/556157790.db2.gz LOJJXVZGLJYIKQ-RUZDIDTESA-N 0 0 481.570 4.230 50 0 JIAARN CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1ccc(Br)cc1 ZINC000012946600 556158069 /nfs/dbraw/zinc/15/80/69/556158069.db2.gz BBGOVHCKVSPQPE-LJQANCHMSA-N 0 0 451.386 4.178 50 0 JIAARN O=C(COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000012948176 556158952 /nfs/dbraw/zinc/15/89/52/556158952.db2.gz PLTUUIJQOPWPIL-CLJLJLNGSA-N 0 0 496.563 4.264 50 0 JIAARN O=C(CN1CCCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)CC1)N1CCCC1 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BVKKOIKJJYNPJL-HXUWFJFHSA-N 0 0 458.562 4.097 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4sc5c(c43)CCCCC5)CC2)c(C)c1 ZINC000013032035 556230221 /nfs/dbraw/zinc/23/02/21/556230221.db2.gz SIFOWSRMMADBSR-UHFFFAOYSA-N 0 0 456.637 4.088 50 0 JIAARN CC(C)N(Cc1ccccc1)C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000013039675 556241015 /nfs/dbraw/zinc/24/10/15/556241015.db2.gz IFHILIDNHFCJFU-SAPNQHFASA-N 0 0 498.645 4.245 50 0 JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccc(OC)c(OC)c3)nn2[C@@H]1c1ccccn1 ZINC000017243520 556244427 /nfs/dbraw/zinc/24/44/27/556244427.db2.gz FOGAHGZETFZSNS-XMMPIXPASA-N 0 0 498.543 4.294 50 0 JIAARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)ccc1OC(=O)c1ccccc1 ZINC000017243965 556245403 /nfs/dbraw/zinc/24/54/03/556245403.db2.gz GUMOIZIASRRDGT-XMMPIXPASA-N 0 0 481.512 4.434 50 0 JIAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N[C@H](C)[C@@H](O)c3ccc(O)cc3)c2c1C ZINC000013041329 556246554 /nfs/dbraw/zinc/24/65/54/556246554.db2.gz MFUXEDDIQLCWCX-IIBYNOLFSA-N 0 0 484.622 4.402 50 0 JIAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)N(C)c3ccccc3)c3ccccc32)C[C@H](C)O1 ZINC000017246447 556246557 /nfs/dbraw/zinc/24/65/57/556246557.db2.gz OCYQOGYNRWJNCW-KDURUIRLSA-N 0 0 451.592 4.032 50 0 JIAARN COc1ccc(NC(=O)CSc2cn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc23)cc1 ZINC000017246756 556246865 /nfs/dbraw/zinc/24/68/65/556246865.db2.gz BPVQQCJOZZYELU-QZTJIDSGSA-N 0 0 467.591 4.017 50 0 JIAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000017248315 556247466 /nfs/dbraw/zinc/24/74/66/556247466.db2.gz YLBQKNIKKRXECL-UHFFFAOYSA-N 0 0 463.559 4.429 50 0 JIAARN CCc1cc2c(COC(=O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)cc(=O)oc2cc1O ZINC000013041919 556248080 /nfs/dbraw/zinc/24/80/80/556248080.db2.gz ICCZYGFKQACLCS-UHFFFAOYSA-N 0 0 483.476 4.214 50 0 JIAARN Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1SCC(=O)NCc1ccco1 ZINC000013055916 556250442 /nfs/dbraw/zinc/25/04/42/556250442.db2.gz DVHWLEUDPOVXAI-KRWDZBQOSA-N 0 0 452.532 4.181 50 0 JIAARN CC[C@H](C)c1ccc(N2C(=S)N[C@H](c3ccc(OC)c(O)c3)C(C(=O)N3CCOCC3)=C2C)cc1 ZINC000013056584 556251264 /nfs/dbraw/zinc/25/12/64/556251264.db2.gz RAZMFLPTFKPVFC-SSOJOUAXSA-N 0 0 495.645 4.483 50 0 JIAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2nnc(-c3ccncc3)n2C)cc1 ZINC000013057565 556252637 /nfs/dbraw/zinc/25/26/37/556252637.db2.gz RTUPCCUDYORIGF-UHFFFAOYSA-N 0 0 451.577 4.273 50 0 JIAARN COc1cc2nc(CN3CCOCC3)n(CCCOc3ccc(C(C)(C)C)cc3)c(=O)c2cc1OC ZINC000026400049 556253125 /nfs/dbraw/zinc/25/31/25/556253125.db2.gz KURDTZGMLGBBHW-UHFFFAOYSA-N 0 0 495.620 4.013 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c(C)n1CCc1ccccc1 ZINC000013058591 556254224 /nfs/dbraw/zinc/25/42/24/556254224.db2.gz BKUZOESUZNMMNT-AREMUKBSSA-N 0 0 461.587 4.375 50 0 JIAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000026466961 556254703 /nfs/dbraw/zinc/25/47/03/556254703.db2.gz CQJMCAZIZPXJLY-UHFFFAOYSA-N 0 0 455.463 4.228 50 0 JIAARN CCOc1ccc(NC(=O)CSc2cn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c3ccccc23)cc1 ZINC000017307868 556255610 /nfs/dbraw/zinc/25/56/10/556255610.db2.gz VSVGWCDTJWLZOB-OALUTQOASA-N 0 0 481.618 4.407 50 0 JIAARN CN(CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000013061966 556257231 /nfs/dbraw/zinc/25/72/31/556257231.db2.gz VOZHQVUZDSOFFQ-DEOSSOPVSA-N 0 0 454.636 4.056 50 0 JIAARN CCSc1nc2n(n1)[C@H](c1ccc(OC)c(OC)c1)C(C(=O)Nc1ccccc1OC)=C(C)N2 ZINC000017316862 556258297 /nfs/dbraw/zinc/25/82/97/556258297.db2.gz UUQJFFTXIDDQMG-OAQYLSRUSA-N 0 0 481.578 4.344 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)Nc3ccccc3)ccc2C)c(C)c1 ZINC000026641157 556258479 /nfs/dbraw/zinc/25/84/79/556258479.db2.gz VZEXKNKTBDGONY-UHFFFAOYSA-N 0 0 466.563 4.173 50 0 JIAARN CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C(C(=O)Nc1ccccc1OC)=C(C)N2 ZINC000017316881 556258744 /nfs/dbraw/zinc/25/87/44/556258744.db2.gz GEEWTNHPTQDYMM-FQEVSTJZSA-N 0 0 451.552 4.335 50 0 JIAARN CCCOc1ccc(/C=c2/sc3nc(-c4cc5ccccc5cc4OC(C)=O)nn3c2=O)cc1 ZINC000026687329 556259038 /nfs/dbraw/zinc/25/90/38/556259038.db2.gz ZIABITRAVJYWHQ-YDZHTSKRSA-N 0 0 471.538 4.233 50 0 JIAARN Cc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)cs2)cc1 ZINC000017343658 556259125 /nfs/dbraw/zinc/25/91/25/556259125.db2.gz DPOWIAHJAOSPAF-UHFFFAOYSA-N 0 0 495.548 4.284 50 0 JIAARN COc1cc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000026771933 556261168 /nfs/dbraw/zinc/26/11/68/556261168.db2.gz HVOLBQUGFVRMJR-VDJAFGACSA-N 0 0 495.572 4.349 50 0 biogenic JIAARN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)c2)c1 ZINC000017481096 556261420 /nfs/dbraw/zinc/26/14/20/556261420.db2.gz CFCUDMJHPCBFMI-JOCHJYFZSA-N 0 0 486.977 4.436 50 0 JIAARN O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000017712145 556264210 /nfs/dbraw/zinc/26/42/10/556264210.db2.gz KJDPBWVKBDHAFD-QHCPKHFHSA-N 0 0 470.516 4.114 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000013070884 556268689 /nfs/dbraw/zinc/26/86/89/556268689.db2.gz GIZMIORCJUTZBR-UHFFFAOYSA-N 0 0 484.622 4.052 50 0 JIAARN CC(C)(C)c1ccc(-c2nc3s/c(=C\c4ccc(I)cc4)c(=O)n3n2)cc1 ZINC000027017036 556269115 /nfs/dbraw/zinc/26/91/15/556269115.db2.gz HHHUPYZFPSARFO-ATVHPVEESA-N 0 0 487.366 4.268 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000013071244 556269215 /nfs/dbraw/zinc/26/92/15/556269215.db2.gz KXBOPICRNIQTTM-HXUWFJFHSA-N 0 0 472.636 4.102 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)CC1 ZINC000013071500 556269577 /nfs/dbraw/zinc/26/95/77/556269577.db2.gz PYYKJEXGHGZBAA-UHFFFAOYSA-N 0 0 479.602 4.075 50 0 JIAARN O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccco1)Nc1ccc(Br)cc1 ZINC000027019194 556269905 /nfs/dbraw/zinc/26/99/05/556269905.db2.gz HJQOIPASSZFFCR-KRWDZBQOSA-N 0 0 454.280 4.038 50 0 JIAARN FC(F)(F)c1cnc(N2CCN(Cn3ncn(-c4ccccc4)c3=S)CC2)c(Cl)c1 ZINC000013071904 556270382 /nfs/dbraw/zinc/27/03/82/556270382.db2.gz JDMTZWVXGFWHEN-UHFFFAOYSA-N 0 0 454.909 4.250 50 0 JIAARN CCCNC(=O)CN(C)Cn1nc(COc2ccc(Cl)cc2)n(-c2ccccc2)c1=S ZINC000013072673 556271571 /nfs/dbraw/zinc/27/15/71/556271571.db2.gz WVDOGYRKGYYARC-UHFFFAOYSA-N 0 0 460.003 4.051 50 0 JIAARN CCOc1ccc(-c2nc(NC(=O)CN3C(=O)N[C@](CC)(c4ccccc4)C3=O)sc2C)cc1 ZINC000013072729 556271901 /nfs/dbraw/zinc/27/19/01/556271901.db2.gz QWTGIWOUOCRFGV-RUZDIDTESA-N 0 0 478.574 4.313 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000017975328 556273867 /nfs/dbraw/zinc/27/38/67/556273867.db2.gz CIOMRBWBEWWLJP-UHFFFAOYSA-N 0 0 475.936 4.307 50 0 JIAARN COc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)cs2)cc1 ZINC000018012627 556276563 /nfs/dbraw/zinc/27/65/63/556276563.db2.gz CRUDCBIFSXWEFE-UHFFFAOYSA-N 0 0 465.453 4.428 50 0 JIAARN C[C@H](c1nnc(SCC(=O)NCCOc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N(C)C ZINC000027493152 556280449 /nfs/dbraw/zinc/28/04/49/556280449.db2.gz CICVVBIHFUQNEF-OAHLLOKOSA-N 0 0 494.448 4.484 50 0 JIAARN O=C1OC(c2cccc(Br)c2)=N/C1=C\c1cccc(I)c1 ZINC000027500300 556281400 /nfs/dbraw/zinc/28/14/00/556281400.db2.gz WXYABLTULJEQBW-ZSOIEALJSA-N 0 0 454.061 4.398 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N(Cc1ccco1)Cc1cccs1 ZINC000018093527 556286626 /nfs/dbraw/zinc/28/66/26/556286626.db2.gz BARXYOSUTCZWJW-UHFFFAOYSA-N 0 0 450.607 4.032 50 0 JIAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCN(S(=O)(=O)c4ccccc4)CC3)ccc21 ZINC000013095240 556287054 /nfs/dbraw/zinc/28/70/54/556287054.db2.gz IFTMQCIYLGKYFE-HXUWFJFHSA-N 0 0 490.629 4.148 50 0 JIAARN COc1c(Cl)cc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1Cl ZINC000018125613 556291457 /nfs/dbraw/zinc/29/14/57/556291457.db2.gz VSZWBJXBRGHFHZ-UHFFFAOYSA-N 0 0 490.309 4.417 50 0 JIAARN Cc1nc(-c2ccsc2)sc1C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000018127812 556291973 /nfs/dbraw/zinc/29/19/73/556291973.db2.gz XBIWUXPGFGURIL-UHFFFAOYSA-N 0 0 454.621 4.193 50 0 JIAARN CCOc1cc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccc1OC ZINC000013097686 556294706 /nfs/dbraw/zinc/29/47/06/556294706.db2.gz KRIWRQLVVSCPHA-OQLLNIDSSA-N 0 0 458.580 4.311 50 0 JIAARN C[C@@H](CNC(=O)CSc1nnc(-c2ccc3c(c2)nc2n(c3=O)CCCCC2)o1)c1ccccc1 ZINC000013101090 556301079 /nfs/dbraw/zinc/30/10/79/556301079.db2.gz ADVBDGXTQOQSQA-KRWDZBQOSA-N 0 0 489.601 4.185 50 0 JIAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(Br)c(C)c1 ZINC000013101808 556302570 /nfs/dbraw/zinc/30/25/70/556302570.db2.gz WQQDTEQZJFDOOE-CQSZACIVSA-N 0 0 476.396 4.406 50 0 JIAARN COC[C@H](C)n1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(Br)cc1F ZINC000013101819 556302614 /nfs/dbraw/zinc/30/26/14/556302614.db2.gz SUOVHEONNDUGBU-LBPRGKRZSA-N 0 0 480.359 4.236 50 0 JIAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2c(F)cccc2Cl)[C@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000027663997 556302940 /nfs/dbraw/zinc/30/29/40/556302940.db2.gz YCXKZIZJLQIGMT-GJZGRUSLSA-N 0 0 474.381 4.424 50 0 JIAARN O=C(c1ccc(Br)o1)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000027743373 556304768 /nfs/dbraw/zinc/30/47/68/556304768.db2.gz MXMMHXUVHOGJNC-GFCCVEGCSA-N 0 0 467.168 4.178 50 0 JIAARN CCOc1ccc(OCC(=O)O[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000013109713 556309398 /nfs/dbraw/zinc/30/93/98/556309398.db2.gz JHJRABVBYKYJLK-CYBMUJFWSA-N 0 0 462.474 4.436 50 0 JIAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 ZINC000013112445 556313801 /nfs/dbraw/zinc/31/38/01/556313801.db2.gz YTCWUEFAVUQWAH-WRHNGFHOSA-N 0 0 455.558 4.363 50 0 JIAARN COc1ccc(Sc2cc3c(cc2NS(=O)(=O)c2ccc(C)cc2)n(C)c(=O)n3C)cc1 ZINC000028049342 556314672 /nfs/dbraw/zinc/31/46/72/556314672.db2.gz AASRNAIUYJQPAK-UHFFFAOYSA-N 0 0 469.588 4.146 50 0 JIAARN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)CC1=O ZINC000013112795 556315235 /nfs/dbraw/zinc/31/52/35/556315235.db2.gz WOIRNTVXBCWIOJ-IRFCIJBXSA-N 0 0 483.634 4.192 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CSc1nnc(-c2ccco2)o1 ZINC000013113150 556316796 /nfs/dbraw/zinc/31/67/96/556316796.db2.gz OTUGVJKQZBCCGB-UHFFFAOYSA-N 0 0 474.848 4.191 50 0 JIAARN 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COc1cccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)s2)c1 ZINC000008725906 569600638 /nfs/dbraw/zinc/60/06/38/569600638.db2.gz POCZAUPSRGPARN-UHFFFAOYSA-N 0 0 475.621 4.060 50 0 JIAARN COc1ccc([C@H](CNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c2c[nH]c3ccccc32)cc1 ZINC000008727727 569601337 /nfs/dbraw/zinc/60/13/37/569601337.db2.gz OLCDOGHVTKICMM-QFIPXVFZSA-N 0 0 488.588 4.069 50 0 JIAARN O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)NC(c1ccccc1)c1ccccc1 ZINC000008729244 569601527 /nfs/dbraw/zinc/60/15/27/569601527.db2.gz NXMVRGDWJCCHJI-UHFFFAOYSA-N 0 0 481.643 4.254 50 0 JIAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1Cc1cccc(OC)c1 ZINC000057426158 569601733 /nfs/dbraw/zinc/60/17/33/569601733.db2.gz DXFCSWFPCAAIPT-QGZVFWFLSA-N 0 0 457.621 4.398 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CC[NH+](C4CCCCC4)CC3)cc2C(=O)[O-])c1 ZINC000058058497 569602026 /nfs/dbraw/zinc/60/20/26/569602026.db2.gz ZOCICFRCMJKKJO-UHFFFAOYSA-N 0 0 471.623 4.257 50 0 JIAARN CCOc1cc(Br)c(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1OCC ZINC000008735497 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C[C@@H](CCc1ccccc1)NC(=O)c1ccc(S(=O)(=O)c2ccc(Br)cc2)nc1 ZINC000062006697 569610303 /nfs/dbraw/zinc/61/03/03/569610303.db2.gz TTWZVALDEMQZMS-INIZCTEOSA-N 0 0 473.392 4.428 50 0 JIAARN CCOC(=O)C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(OC)c1 ZINC000062566641 569611124 /nfs/dbraw/zinc/61/11/24/569611124.db2.gz KLNWCSLNJZCCKZ-GOSISDBHSA-N 0 0 475.954 4.301 50 0 JIAARN C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)Cn2cnc3sccc3c2=O)[C@@H]1C ZINC000062582347 569611885 /nfs/dbraw/zinc/61/18/85/569611885.db2.gz REUVSNANJKEVNI-MDZRGWNJSA-N 0 0 453.564 4.040 50 0 JIAARN COc1ccc(CCN(C)S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)cc1OC ZINC000062582483 569612010 /nfs/dbraw/zinc/61/20/10/569612010.db2.gz WUEJPBYJJCMYTO-UHFFFAOYSA-N 0 0 497.436 4.453 50 0 JIAARN CCCN(C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000062602563 569612882 /nfs/dbraw/zinc/61/28/82/569612882.db2.gz DAGDCQQOLUZNAL-INIZCTEOSA-N 0 0 491.419 4.248 50 0 JIAARN 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O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000062647237 569614175 /nfs/dbraw/zinc/61/41/75/569614175.db2.gz TYCYQTNNAVHARR-UHFFFAOYSA-N 0 0 498.505 4.424 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(Cn4c5ccccc5nc(C)c4=O)cc3)CC2)c1 ZINC000033005799 569614457 /nfs/dbraw/zinc/61/44/57/569614457.db2.gz VXGUTOKULGZVLC-UHFFFAOYSA-N 0 0 466.585 4.332 50 0 JIAARN C[C@@H](NC(=O)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1)c1ccco1 ZINC000033010100 569616583 /nfs/dbraw/zinc/61/65/83/569616583.db2.gz OALSXOIGXZPOLE-OAHLLOKOSA-N 0 0 450.930 4.132 50 0 JIAARN COc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCc5ccc(SC)cc5)CC4)nn32)cc1 ZINC000033010054 569616612 /nfs/dbraw/zinc/61/66/12/569616612.db2.gz LROFLHJVVSCQJM-UHFFFAOYSA-N 0 0 488.617 4.055 50 0 JIAARN Cc1c(-c2nc(-c3ccccc3)no2)sc2ncn(CC(=O)Nc3ccc(C)cc3)c(=O)c12 ZINC000064439095 569616652 /nfs/dbraw/zinc/61/66/52/569616652.db2.gz BGRBPOFIDQJRIW-UHFFFAOYSA-N 0 0 457.515 4.431 50 0 JIAARN Cc1c(-c2nc(-c3ccccc3)no2)sc2ncn(CC(=O)Nc3ccc(F)cc3)c(=O)c12 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CCn1c(C(=O)NCCN2CCOCC2)cc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000095551911 569727634 /nfs/dbraw/zinc/72/76/34/569727634.db2.gz DFISVGHAAVFRGW-UHFFFAOYSA-N 0 0 476.621 4.273 50 0 JIAARN Cc1ccc2nc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)n3c(nnc3C3CCCCC3)c2c1 ZINC000095608988 569727966 /nfs/dbraw/zinc/72/79/66/569727966.db2.gz FJECEQYXQCCJMJ-UHFFFAOYSA-N 0 0 498.587 4.325 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCCCC4)n3c2=O)nn1-c1cc(F)ccc1C ZINC000035924729 569728128 /nfs/dbraw/zinc/72/81/28/569728128.db2.gz FGMVRTRJRVTIFH-UHFFFAOYSA-N 0 0 479.581 4.228 50 0 JIAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3ccc(C)cc3)CC2)n1 ZINC000035925542 569728860 /nfs/dbraw/zinc/72/88/60/569728860.db2.gz NMBCORAATGFPKK-UHFFFAOYSA-N 0 0 454.578 4.429 50 0 JIAARN CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000035925596 569728957 /nfs/dbraw/zinc/72/89/57/569728957.db2.gz MHFRJMBIVCGMRQ-UHFFFAOYSA-N 0 0 468.605 4.295 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N[C@H](C)C(C)C)n3c2=O)nn1-c1ccccc1F ZINC000035925780 569729103 /nfs/dbraw/zinc/72/91/03/569729103.db2.gz ZCLCQPCXINNDJA-OAHLLOKOSA-N 0 0 467.570 4.068 50 0 JIAARN CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000035925830 569729187 /nfs/dbraw/zinc/72/91/87/569729187.db2.gz SYNPWSFFJMTERN-NRFANRHFSA-N 0 0 484.604 4.447 50 0 JIAARN CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000035926107 569729363 /nfs/dbraw/zinc/72/93/63/569729363.db2.gz IHJMUQDHGVDVHK-FQEVSTJZSA-N 0 0 490.633 4.230 50 0 JIAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(C[C@H]1CCCO1)C(=O)c1cccc(F)c1 ZINC000035944916 569732334 /nfs/dbraw/zinc/73/23/34/569732334.db2.gz QTWWGWKOUCKYPP-HSZRJFAPSA-N 0 0 453.558 4.452 50 0 JIAARN COC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000035945861 569733034 /nfs/dbraw/zinc/73/30/34/569733034.db2.gz ULTZXCSHLHRLJW-XMMPIXPASA-N 0 0 498.963 4.470 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(OC)cc1)C(=O)NC(C)C ZINC000035945963 569733175 /nfs/dbraw/zinc/73/31/75/569733175.db2.gz BJIAKXJTFCWHFI-QHCPKHFHSA-N 0 0 487.000 4.093 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1sccc1C)C(=O)NC(C)(C)C ZINC000035948965 569735697 /nfs/dbraw/zinc/73/56/97/569735697.db2.gz BCTQYHKXQJZATR-QGZVFWFLSA-N 0 0 462.641 4.252 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(OC)cc1)C(=O)C1CCCC1 ZINC000035946616 569733937 /nfs/dbraw/zinc/73/39/37/569733937.db2.gz CCFMOYDTJHXNLS-RUZDIDTESA-N 0 0 481.568 4.177 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)cc1)C(=O)CC(C)(C)C ZINC000035946664 569733963 /nfs/dbraw/zinc/73/39/63/569733963.db2.gz QNSADNBFXUGPNH-NRFANRHFSA-N 0 0 471.623 4.346 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1)C(=O)CC(C)(C)C ZINC000035947116 569734255 /nfs/dbraw/zinc/73/42/55/569734255.db2.gz OCISSMDRUVUEJQ-HSZRJFAPSA-N 0 0 453.558 4.415 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000035947678 569734611 /nfs/dbraw/zinc/73/46/11/569734611.db2.gz SICSZJYNHUURJW-HSZRJFAPSA-N 0 0 479.577 4.039 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@@H](c3ccccc3OC)C2)cc1 ZINC000035947726 569734769 /nfs/dbraw/zinc/73/47/69/569734769.db2.gz FDDJUOBDRKKTGL-XMMPIXPASA-N 0 0 475.520 4.293 50 0 JIAARN COc1cccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000096116064 569735019 /nfs/dbraw/zinc/73/50/19/569735019.db2.gz UUSUSPDEXDRTRH-ZJSXRUAMSA-N 0 0 457.438 4.062 50 0 biogenic JIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000096116195 569735080 /nfs/dbraw/zinc/73/50/80/569735080.db2.gz KWUAEWMSWUGNSM-DHLKQENFSA-N 0 0 471.465 4.104 50 0 biogenic JIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccccc2OC)cc1 ZINC000035948449 569735357 /nfs/dbraw/zinc/73/53/57/569735357.db2.gz ZAUAHRCGBJTXMA-NRFANRHFSA-N 0 0 463.559 4.215 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)C1CCCC1 ZINC000035948387 569735384 /nfs/dbraw/zinc/73/53/84/569735384.db2.gz MNWNUJNPOYWCEL-NRFANRHFSA-N 0 0 499.633 4.108 50 0 JIAARN COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)ccc1OC(C)C ZINC000096117167 569735556 /nfs/dbraw/zinc/73/55/56/569735556.db2.gz IVODNNWHUIIYIG-QRWLVFNGSA-N 0 0 461.584 4.289 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccn1C)C(=O)c1ccccc1Cl ZINC000035948772 569735642 /nfs/dbraw/zinc/73/56/42/569735642.db2.gz RRGQGXLWEXIWTM-NRFANRHFSA-N 0 0 485.009 4.207 50 0 JIAARN CN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2c(c1)OCO2)C(=O)c1cccc(F)c1 ZINC000035948669 569735650 /nfs/dbraw/zinc/73/56/50/569735650.db2.gz TXYMLDVZOOUHAA-JOCHJYFZSA-N 0 0 477.467 4.143 50 0 JIAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC000035948902 569735734 /nfs/dbraw/zinc/73/57/34/569735734.db2.gz XZZAKFIYEGBHSS-NRFANRHFSA-N 0 0 477.392 4.349 50 0 JIAARN O=c1[nH]n(C2CCSCC2)c2c1[C@H](c1cccc(OCc3cccnc3)c1)SCC(=O)N2 ZINC000096118186 569735925 /nfs/dbraw/zinc/73/59/25/569735925.db2.gz RNWIJJXSZCHWDJ-NRFANRHFSA-N 0 0 468.604 4.406 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000035960387 569736342 /nfs/dbraw/zinc/73/63/42/569736342.db2.gz UPHJVLNSUXCJHO-DEOSSOPVSA-N 0 0 463.578 4.339 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)cc1)C(=O)C1CCCC1 ZINC000035960414 569736421 /nfs/dbraw/zinc/73/64/21/569736421.db2.gz WSBLFVURROVBSH-AREMUKBSSA-N 0 0 493.604 4.047 50 0 JIAARN COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)cc1 ZINC000035960969 569736648 /nfs/dbraw/zinc/73/66/48/569736648.db2.gz GANDFLBANNJRFC-HSZRJFAPSA-N 0 0 481.593 4.285 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccs3)[C@@H](c3ccccc3F)C2)c(OC)c1 ZINC000035961003 569736714 /nfs/dbraw/zinc/73/67/14/569736714.db2.gz UJTPKIQWFDECQM-OAQYLSRUSA-N 0 0 481.549 4.354 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)cc1 ZINC000035961482 569737097 /nfs/dbraw/zinc/73/70/97/569737097.db2.gz HSNWTVNKBHUVOG-DEOSSOPVSA-N 0 0 463.484 4.423 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1)C(=O)c1cccs1 ZINC000035962576 569737695 /nfs/dbraw/zinc/73/76/95/569737695.db2.gz DWGNSVZCXOFPOY-HSZRJFAPSA-N 0 0 477.586 4.223 50 0 JIAARN COc1cc2c(cc1OC)[C@H]([C@@H](C)NS(=O)(=O)c1ccccc1)N(Cc1ccccc1)CC2 ZINC000096211366 569738467 /nfs/dbraw/zinc/73/84/67/569738467.db2.gz HBVYBPRSYCHQRJ-BCHFMIIMSA-N 0 0 466.603 4.170 50 0 JIAARN CC(C)CNC(=O)[C@@H](C(C)C)N1CC2=C(C1=O)[C@@H](c1cccc(Oc3ccccc3)c1)NC(=O)N2C ZINC000035968367 569738920 /nfs/dbraw/zinc/73/89/20/569738920.db2.gz QITKXGZEXGMGNY-JWQCQUIFSA-N 0 0 490.604 4.068 50 0 JIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000096221707 569739133 /nfs/dbraw/zinc/73/91/33/569739133.db2.gz CXORHCSVIGDORS-QHCPKHFHSA-N 0 0 458.514 4.344 50 0 biogenic JIAARN COc1cc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc2c1OCO2 ZINC000096221932 569739272 /nfs/dbraw/zinc/73/92/72/569739272.db2.gz RPMPZOUQNVRESS-KRWDZBQOSA-N 0 0 458.422 4.344 50 0 biogenic JIAARN COc1ccc(/C=C/C(=O)Oc2cccc([C@@H]3Nc4sc5c(c4C(=O)N3)CCN(C)C5)c2)cc1 ZINC000096580406 569741718 /nfs/dbraw/zinc/74/17/18/569741718.db2.gz GFLMDYKICCVBPZ-DDVUFSRBSA-N 0 0 475.570 4.218 50 0 JIAARN CCCNC(=O)N(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000035980336 569742084 /nfs/dbraw/zinc/74/20/84/569742084.db2.gz XYMPCNITLPJFQW-UHFFFAOYSA-N 0 0 452.555 4.456 50 0 JIAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)nc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c12 ZINC000035990222 569744021 /nfs/dbraw/zinc/74/40/21/569744021.db2.gz XDMCRCOXPOUMRH-UHFFFAOYSA-N 0 0 460.969 4.357 50 0 JIAARN COC(=O)CN[C@@H](c1ccc(C)cc1)c1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000097165227 569744842 /nfs/dbraw/zinc/74/48/42/569744842.db2.gz HOLFLRRWXIUETO-VWLOTQADSA-N 0 0 478.545 4.125 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccncc2)C(=O)c2ccc(Cl)cc2)c1C ZINC000035992684 569745087 /nfs/dbraw/zinc/74/50/87/569745087.db2.gz LDDJMAQQDYGYRY-UHFFFAOYSA-N 0 0 453.926 4.382 50 0 JIAARN CCOCCCN(CC(=O)c1c(C)c(C(=O)OCC)n(CC)c1C)C(=O)c1ccc(OC)cc1 ZINC000036000709 569745762 /nfs/dbraw/zinc/74/57/62/569745762.db2.gz YFIMLWHHTBEXSF-UHFFFAOYSA-N 0 0 472.582 4.062 50 0 JIAARN CCC(=O)Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000036001180 569745899 /nfs/dbraw/zinc/74/58/99/569745899.db2.gz LEOXQXXQPNDEDU-UHFFFAOYSA-N 0 0 476.621 4.146 50 0 JIAARN Cc1cccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc3cccnc32)c1 ZINC000097937951 569746056 /nfs/dbraw/zinc/74/60/56/569746056.db2.gz VJBAWBAHLMJJGC-UHFFFAOYSA-N 0 0 489.645 4.359 50 0 JIAARN COC(=O)c1[nH]c(C)c(C(=O)CN(Cc2cccnc2)C(=O)c2ccc(C(F)(F)F)cc2)c1C ZINC000036002236 569746169 /nfs/dbraw/zinc/74/61/69/569746169.db2.gz BXDHREUTLRBCKS-UHFFFAOYSA-N 0 0 473.451 4.357 50 0 JIAARN CCNC(=O)NC1CCC(Nc2nc(C3CC3)nc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000036003107 569746496 /nfs/dbraw/zinc/74/64/96/569746496.db2.gz PNSYQUFUPTWLDO-UHFFFAOYSA-N 0 0 453.978 4.389 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)CN(Cc2ccncc2)C(=O)c2cccc(OC)c2)c(C)n1CC ZINC000036003351 569746590 /nfs/dbraw/zinc/74/65/90/569746590.db2.gz CQCLGFKVILJAQV-UHFFFAOYSA-N 0 0 477.561 4.230 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)CN(Cc2ccncc2)C(=O)c2ccc(OC)cc2)c(C)n1CC ZINC000036003345 569746640 /nfs/dbraw/zinc/74/66/40/569746640.db2.gz CUOQIDHDRRAVDI-UHFFFAOYSA-N 0 0 477.561 4.230 50 0 JIAARN Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)Nc5ccc(Cl)cc5)CC4)c3CO2)cc1 ZINC000097943812 569746701 /nfs/dbraw/zinc/74/67/01/569746701.db2.gz AKQGOHOETFRDNQ-JOCHJYFZSA-N 0 0 479.968 4.002 50 0 JIAARN Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)Nc5ccc(Cl)c(C)c5)CC4)c3CO2)cc1 ZINC000097943822 569746733 /nfs/dbraw/zinc/74/67/33/569746733.db2.gz MGSCEBYURXRTHX-HSZRJFAPSA-N 0 0 493.995 4.311 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(Cc2ccco2)C(=O)c2ccc(OC)cc2)c1C ZINC000036004325 569746862 /nfs/dbraw/zinc/74/68/62/569746862.db2.gz JABFHDKTQNPWGD-KRWDZBQOSA-N 0 0 452.507 4.324 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(Cc2ccccn2)C(=O)c2ccc(F)cc2)c1C ZINC000036004377 569746863 /nfs/dbraw/zinc/74/68/63/569746863.db2.gz ACTZQRXACPIHJZ-KRWDZBQOSA-N 0 0 451.498 4.256 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CCc2ccccn2)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000036004508 569746993 /nfs/dbraw/zinc/74/69/93/569746993.db2.gz KNEUGZGMCJKDAF-HXUWFJFHSA-N 0 0 497.617 4.016 50 0 JIAARN COC(=O)c1c(C)c(C(=O)CN(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)c(C)n1C ZINC000036006376 569747502 /nfs/dbraw/zinc/74/75/02/569747502.db2.gz XWPLASNBVAOGMJ-UHFFFAOYSA-N 0 0 454.473 4.232 50 0 JIAARN COCCN(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)C(=O)c1ccccc1Cl ZINC000036011999 569748198 /nfs/dbraw/zinc/74/81/98/569748198.db2.gz KJISXVMHPBPCBB-UHFFFAOYSA-N 0 0 460.914 4.310 50 0 JIAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1)C(=O)c1ccco1 ZINC000036013201 569748494 /nfs/dbraw/zinc/74/84/94/569748494.db2.gz XDBAMSDHPARHEJ-UHFFFAOYSA-N 0 0 488.588 4.041 50 0 JIAARN COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)NCc3ccco3)Cc3ccccc3)no2)c1 ZINC000036015087 569749015 /nfs/dbraw/zinc/74/90/15/569749015.db2.gz UEZMVJOLUULCHC-UHFFFAOYSA-N 0 0 489.528 4.301 50 0 JIAARN COc1cccc(/C=C/C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)c1OC(F)F ZINC000097997383 569749022 /nfs/dbraw/zinc/74/90/22/569749022.db2.gz WBTAYSDWGCJWML-NJESZQPCSA-N 0 0 474.485 4.163 50 0 JIAARN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NC[C@@H]3CCCO3)Cc3ccco3)no2)c(C)c1 ZINC000036015669 569749135 /nfs/dbraw/zinc/74/91/35/569749135.db2.gz JDVHKROWDLRGPH-FQEVSTJZSA-N 0 0 465.550 4.188 50 0 JIAARN CCOC(=O)[C@H]1CCCN(C(=O)CCN(C(=O)c2cc(-c3c(C)cc(C)cc3C)on2)C2CC2)C1 ZINC000036015762 569749239 /nfs/dbraw/zinc/74/92/39/569749239.db2.gz UGFAYBFSVVNLPX-FQEVSTJZSA-N 0 0 481.593 4.063 50 0 JIAARN O=C(CCc1ncc(-c2ccccc2F)o1)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000098002796 569749397 /nfs/dbraw/zinc/74/93/97/569749397.db2.gz BHQHCNYTDPOQAK-XSFVSMFZSA-N 0 0 465.506 4.266 50 0 JIAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)C(C)C)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000036019201 569749763 /nfs/dbraw/zinc/74/97/63/569749763.db2.gz GKORGVSQLNZBDP-UHFFFAOYSA-N 0 0 482.600 4.045 50 0 JIAARN Cc1ccc(C(=O)N2CCCN(c3ccc(NC(=O)C4CC4)cc3C(=O)N3CCCCC3)CC2)cc1 ZINC000036019445 569749883 /nfs/dbraw/zinc/74/98/83/569749883.db2.gz JMTITJLOLBOTSG-UHFFFAOYSA-N 0 0 488.632 4.322 50 0 JIAARN CC(C)(C)NC(=O)N1CCCN(c2ccc(NC(=O)c3ccco3)cc2C(=O)N2CCCCC2)CC1 ZINC000036019608 569749956 /nfs/dbraw/zinc/74/99/56/569749956.db2.gz PJOSKGFFGNPIJA-UHFFFAOYSA-N 0 0 495.624 4.178 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)Nc1ccc(C)cc1)N(C(=O)NC(C)(C)C)CC2 ZINC000036021550 569750147 /nfs/dbraw/zinc/75/01/47/569750147.db2.gz SNEMHZQKFLZAAA-HXUWFJFHSA-N 0 0 454.571 4.241 50 0 JIAARN CCOc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=S)NC(C)C)cc1 ZINC000036021769 569750154 /nfs/dbraw/zinc/75/01/54/569750154.db2.gz XSUGHARXTHBOLN-OAQYLSRUSA-N 0 0 486.638 4.106 50 0 JIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2coc(CN(Cc3ccccc3)Cc3ccc(OC)cc3)n2)C1 ZINC000036024067 569750329 /nfs/dbraw/zinc/75/03/29/569750329.db2.gz HZXNWWDQPOOZGI-QHCPKHFHSA-N 0 0 491.588 4.301 50 0 JIAARN Cc1ccc(-n2ncc3c2nc(C)nc3N2CCCN(C(=O)c3ccccc3F)CC2)c(C)c1 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CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000036396973 569775149 /nfs/dbraw/zinc/77/51/49/569775149.db2.gz CYBVIBFRHPNPSP-HNNXBMFYSA-N 0 0 452.960 4.141 50 0 JIAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCOC)N2[C@@H]1c1ccccc1 ZINC000100943485 569777043 /nfs/dbraw/zinc/77/70/43/569777043.db2.gz FKAIMUSPGITMNS-XMMPIXPASA-N 0 0 477.586 4.115 50 0 JIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCCCC3)N2[C@H]1c1cccc(OC)c1 ZINC000100945524 569777279 /nfs/dbraw/zinc/77/72/79/569777279.db2.gz SUQLWIFVGVUSQB-QFIPXVFZSA-N 0 0 455.580 4.282 50 0 JIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3cccc(F)c3)N2[C@H]1c1cccc(OC)c1 ZINC000100946982 569777544 /nfs/dbraw/zinc/77/75/44/569777544.db2.gz TYLQGCVBFZWMJN-QHCPKHFHSA-N 0 0 481.549 4.289 50 0 JIAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(Cl)c(Cl)c4)CC3)C2=O)cc1 ZINC000100961443 569777860 /nfs/dbraw/zinc/77/78/60/569777860.db2.gz UJCCOTFRWKJSEI-NRFANRHFSA-N 0 0 462.377 4.236 50 0 JIAARN O=c1[nH]c2c(s1)C1(CCCCC1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]1S2 ZINC000100972402 569778102 /nfs/dbraw/zinc/77/81/02/569778102.db2.gz ZEKDHHIEDOPPFU-STQMWFEESA-N 0 0 465.394 4.065 50 0 JIAARN CCCCOC(=O)c1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000036659474 569779739 /nfs/dbraw/zinc/77/97/39/569779739.db2.gz WMYYYHYACBQUTO-OAQYLSRUSA-N 0 0 458.580 4.216 50 0 JIAARN O=C(Cn1nc(-c2ccccc2)c2sc(N3CCCCC3)nc2c1=O)Nc1ccc(F)cc1F ZINC000036685825 569779887 /nfs/dbraw/zinc/77/98/87/569779887.db2.gz LWZNKSBZJOQHBI-UHFFFAOYSA-N 0 0 481.528 4.427 50 0 JIAARN CC1(C)CC(=O)C(CCC(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000101062249 569780779 /nfs/dbraw/zinc/78/07/79/569780779.db2.gz VMPMKNJPEHYRQU-UHFFFAOYSA-N 0 0 458.595 4.106 50 0 JIAARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@H]2C=Cc3cc(Br)ccc3N21 ZINC000101092721 569782248 /nfs/dbraw/zinc/78/22/48/569782248.db2.gz MUXVMEHGVBWLCR-TVFCKZIOSA-N 0 0 459.384 4.048 50 0 JIAARN Cc1ccc([C@@H]2c3cc(OCC(=O)NC[C@@H]4CCCO4)ccc3CCN2C(=O)C2CCCC2)cc1 ZINC000037281091 569782632 /nfs/dbraw/zinc/78/26/32/569782632.db2.gz KSONLRLEZHACEC-LBNVMWSVSA-N 0 0 476.617 4.333 50 0 JIAARN C[C@@H]1CN(c2cc(Oc3ccc(F)cc3Cl)ncn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000037357333 569783449 /nfs/dbraw/zinc/78/34/49/569783449.db2.gz YFSBKFKPTHPKNM-OAHLLOKOSA-N 0 0 458.896 4.480 50 0 JIAARN C[C@@H]1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000037357525 569783514 /nfs/dbraw/zinc/78/35/14/569783514.db2.gz FZISZLAXCQGYSF-OAHLLOKOSA-N 0 0 479.389 4.475 50 0 JIAARN CC[C@@H](C)NC(=O)CCN(CCCN1CCOCC1)c1nc(-c2cccs2)nc2ccccc21 ZINC000037382558 569785182 /nfs/dbraw/zinc/78/51/82/569785182.db2.gz IPZAKDIBUAPERJ-HXUWFJFHSA-N 0 0 481.666 4.192 50 0 JIAARN CC[C@@H](C)NC(=O)CCN(CCCN1CCOCC1)c1nc(-c2ccc(F)cc2)nc2ccccc21 ZINC000037383122 569785342 /nfs/dbraw/zinc/78/53/42/569785342.db2.gz ZALPRMJCPUBDJZ-OAQYLSRUSA-N 0 0 493.627 4.269 50 0 JIAARN COCCOc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)c3ccccc3F)cc2)n1 ZINC000037385265 569786195 /nfs/dbraw/zinc/78/61/95/569786195.db2.gz SILSGDVLGIQAFI-UHFFFAOYSA-N 0 0 450.445 4.490 50 0 JIAARN Cc1cc2nc(Cc3ccc(Cl)cc3Cl)n(CCC(=O)NN3CCOCC3)c2cc1C ZINC000037398852 569787427 /nfs/dbraw/zinc/78/74/27/569787427.db2.gz MMCDCCAWMAPHPK-UHFFFAOYSA-N 0 0 461.393 4.304 50 0 JIAARN Cc1cc2nc(Cc3ccc(Cl)cc3Cl)n(CCC(=O)NCCN3CCOCC3)c2cc1C ZINC000037398864 569787507 /nfs/dbraw/zinc/78/75/07/569787507.db2.gz GDWDMVBGPAHZMO-UHFFFAOYSA-N 0 0 489.447 4.389 50 0 JIAARN O=C(CS[C@H]1CC(=O)N(c2ccccc2)C1=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000101232246 569787833 /nfs/dbraw/zinc/78/78/33/569787833.db2.gz HKZZMLLUCBFWNV-NRFANRHFSA-N 0 0 463.486 4.027 50 0 JIAARN COc1ccc(S(=O)(=O)Oc2cc(CN(CC(C)C)C(=O)c3ccco3)ccc2OC)cc1 ZINC000037401117 569788280 /nfs/dbraw/zinc/78/82/80/569788280.db2.gz RHVCZTPZOLVMPI-UHFFFAOYSA-N 0 0 473.547 4.363 50 0 JIAARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](c3ccccc3F)NN(C(=O)c3ccc(C)cc3)[C@H]2C1=O ZINC000101263094 569788367 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ZINC000041089520 569837254 /nfs/dbraw/zinc/83/72/54/569837254.db2.gz KMEWMHPVSYKXKP-UHFFFAOYSA-N 0 0 453.882 4.154 50 0 JIAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4cccc(Cl)c4)c3C)cc(=O)n2o1 ZINC000041089626 569837275 /nfs/dbraw/zinc/83/72/75/569837275.db2.gz DBJUVCWUTPXUIK-UHFFFAOYSA-N 0 0 451.866 4.167 50 0 JIAARN O=C([O-])COCCN1CC[NH+](CCCCOc2ccc(/C=C/c3ccc4ccccc4n3)cc2)CC1 ZINC000043761425 569838461 /nfs/dbraw/zinc/83/84/61/569838461.db2.gz QDZRSRZFCDIYRK-YRNVUSSQSA-N 0 0 489.616 4.283 50 0 JIAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3cccs3)sc2=N1 ZINC000044974336 569839948 /nfs/dbraw/zinc/83/99/48/569839948.db2.gz JNBSFUXEZZHPKS-CVGPFBNFSA-N 0 0 490.581 4.179 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1OC ZINC000045961916 569841112 /nfs/dbraw/zinc/84/11/12/569841112.db2.gz LPWYNZHHIWPNAI-UHFFFAOYSA-N 0 0 466.515 4.223 50 0 JIAARN COc1cccc2c1Oc1c(c(=O)n(-c3ccc(C)c(C)c3)n1CC(=O)NCc1ccccc1)C2 ZINC000045994653 569841869 /nfs/dbraw/zinc/84/18/69/569841869.db2.gz FRVIFUGGFCHPGB-UHFFFAOYSA-N 0 0 469.541 4.277 50 0 JIAARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)ccc1F ZINC000104175841 569842469 /nfs/dbraw/zinc/84/24/69/569842469.db2.gz OGBJEUTYEYTPQA-LJQANCHMSA-N 0 0 497.592 4.294 50 0 JIAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)COc3ccc(Cl)cc3)cc(=O)n2o1 ZINC000046048012 569843158 /nfs/dbraw/zinc/84/31/58/569843158.db2.gz UTRHGPFDIGGKOR-UHFFFAOYSA-N 0 0 453.882 4.154 50 0 JIAARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccccc1Cl)CC(=O)N2 ZINC000046074690 569843382 /nfs/dbraw/zinc/84/33/82/569843382.db2.gz NYSCCPZYPSMOAQ-CQSZACIVSA-N 0 0 454.939 4.089 50 0 JIAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N3)c1 ZINC000046074804 569843522 /nfs/dbraw/zinc/84/35/22/569843522.db2.gz PWGBKINXUGJNDB-MRXNPFEDSA-N 0 0 454.939 4.089 50 0 JIAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cc(Cl)ccc2C)CC(=O)N3)cc1 ZINC000046074977 569843717 /nfs/dbraw/zinc/84/37/17/569843717.db2.gz RQWDIKUUPLRMTL-MRXNPFEDSA-N 0 0 468.966 4.397 50 0 JIAARN Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[nH]c(=O)c32)c1 ZINC000046075165 569843946 /nfs/dbraw/zinc/84/39/46/569843946.db2.gz HVPUHHAMYMPLKT-MRXNPFEDSA-N 0 0 454.939 4.089 50 0 JIAARN COc1ccc(-n2c(CN3CCN(C(=O)Nc4cc(F)ccc4F)CC3)nc3cccnc32)cc1 ZINC000047147421 569845204 /nfs/dbraw/zinc/84/52/04/569845204.db2.gz MBTAWLAXMOXTSE-UHFFFAOYSA-N 0 0 478.503 4.057 50 0 JIAARN Clc1ccc(OCCN2CCN(c3ccc(-c4nc(-c5ccccc5)no4)nn3)CC2)cc1 ZINC000046913516 569845221 /nfs/dbraw/zinc/84/52/21/569845221.db2.gz IHBSYXIVHPYHET-UHFFFAOYSA-N 0 0 462.941 4.048 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(C)cc2)CC1 ZINC000047147632 569845334 /nfs/dbraw/zinc/84/53/34/569845334.db2.gz WLWQFSDGVWTPIF-UHFFFAOYSA-N 0 0 498.587 4.255 50 0 JIAARN COC(=O)c1cccc(S(=O)(=O)N(Cc2ccc(Br)cc2)Cc2ccccn2)c1 ZINC000048313068 569845649 /nfs/dbraw/zinc/84/56/49/569845649.db2.gz RFDQVGFZFYABTJ-UHFFFAOYSA-N 0 0 475.364 4.022 50 0 JIAARN CN(C[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000048326269 569845824 /nfs/dbraw/zinc/84/58/24/569845824.db2.gz XCHSCNOAELNARO-ISKFKSNPSA-N 0 0 479.621 4.133 50 0 JIAARN Cc1ccc(-n2c(-c3ccncc3)nn(CN3CCNC(=O)C[C@H]3c3ccccc3)c2=S)cc1 ZINC000048365710 569845985 /nfs/dbraw/zinc/84/59/85/569845985.db2.gz CAYZRPBRABLUPU-QHCPKHFHSA-N 0 0 470.602 4.294 50 0 JIAARN CCCC[C@H](CC)C(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccc(C)cc2)[C@H](C)CC)C[C@H]1C ZINC000104900968 569846797 /nfs/dbraw/zinc/84/67/97/569846797.db2.gz KRPIVRHQTGNVPU-PIATZUFCSA-N 0 0 457.659 4.415 50 0 JIAARN O=C(NCc1cccnc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@H]12 ZINC000104917094 569847025 /nfs/dbraw/zinc/84/70/25/569847025.db2.gz RSTKBDCXGDPQTO-LADGPHEKSA-N 0 0 466.507 4.284 50 0 JIAARN CCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccc(F)cc3c2=O)cc1 ZINC000049421494 569847362 /nfs/dbraw/zinc/84/73/62/569847362.db2.gz YUSPUZKZUNYILN-UHFFFAOYSA-N 0 0 480.517 4.011 50 0 JIAARN CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)o2)cc1 ZINC000049448401 569847859 /nfs/dbraw/zinc/84/78/59/569847859.db2.gz NWFNGJCSWDEUAH-UHFFFAOYSA-N 0 0 479.562 4.419 50 0 JIAARN C[C@@H](OC(=O)CCNC(=O)CCC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000049574922 569848834 /nfs/dbraw/zinc/84/88/34/569848834.db2.gz JRQJERLJYFYPDR-CQSZACIVSA-N 0 0 498.885 4.398 50 0 JIAARN COc1ccc(N(CC(=O)N(Cc2ccco2)CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1 ZINC000049580893 569848950 /nfs/dbraw/zinc/84/89/50/569848950.db2.gz YCOSHAYHRFNUBV-UHFFFAOYSA-N 0 0 482.480 4.075 50 0 JIAARN CCOc1ccc(-n2c(CN[C@H](CN3CCOCC3)c3ccc(C)cc3)nc3ccccc3c2=O)cc1 ZINC000049581356 569849084 /nfs/dbraw/zinc/84/90/84/569849084.db2.gz MGJHMZHRINUHOB-MUUNZHRXSA-N 0 0 498.627 4.256 50 0 JIAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000105008018 569850110 /nfs/dbraw/zinc/85/01/10/569850110.db2.gz NFPDJOGBBPFXCJ-BJKOFHAPSA-N 0 0 483.996 4.444 50 0 JIAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000105008021 569850156 /nfs/dbraw/zinc/85/01/56/569850156.db2.gz NFPDJOGBBPFXCJ-DNQXCXABSA-N 0 0 483.996 4.444 50 0 JIAARN Cc1cc(=O)oc2cc(NC(=O)c3ccn([C@H](C)C(=O)Nc4ccc5c(C)cc(=O)oc5c4)n3)ccc12 ZINC000049967676 569850381 /nfs/dbraw/zinc/85/03/81/569850381.db2.gz JAJAXWAPMVWHQG-MRXNPFEDSA-N 0 0 498.495 4.165 50 0 JIAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cccc(F)c1 ZINC000105009166 569850415 /nfs/dbraw/zinc/85/04/15/569850415.db2.gz DWPUUZMYFZRRCA-DNQXCXABSA-N 0 0 451.542 4.229 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105012100 569851122 /nfs/dbraw/zinc/85/11/22/569851122.db2.gz QXFAKHFMUYPBCO-ATIYNZHBSA-N 0 0 477.605 4.265 50 0 JIAARN COc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2ccc(Cl)cc2F)cc1Cl ZINC000051316614 569851145 /nfs/dbraw/zinc/85/11/45/569851145.db2.gz AOWPSHCTBCEPNU-UHFFFAOYSA-N 0 0 494.335 4.294 50 0 JIAARN COc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)c3cc(Cl)ccc3OC)o2)cc1OC ZINC000051317361 569851476 /nfs/dbraw/zinc/85/14/76/569851476.db2.gz UJBQKBCLRMDXLP-CQSZACIVSA-N 0 0 493.965 4.424 50 0 JIAARN CCCCNC(=O)N1C[C@H](C(=O)N[C@H](C)c2ccccc2)C[C@H](c2ccc(OC)c(OC)c2)C1 ZINC000105045494 569851864 /nfs/dbraw/zinc/85/18/64/569851864.db2.gz UOVJGOYSPMRUHM-WTIAFYNJSA-N 0 0 467.610 4.496 50 0 JIAARN CCOc1cc(C(=O)OCC(=O)NCc2ccc(F)cc2Cl)cc(OCC)c1OCC ZINC000051356518 569852019 /nfs/dbraw/zinc/85/20/19/569852019.db2.gz SDJUSPOYTNUIMV-UHFFFAOYSA-N 0 0 453.894 4.148 50 0 JIAARN CN(C)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)cc1 ZINC000051357495 569852061 /nfs/dbraw/zinc/85/20/61/569852061.db2.gz FZKIWEFQBRQQID-UHFFFAOYSA-N 0 0 462.550 4.381 50 0 JIAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)OCc2cccc(C)c2)cn3C2CC2)CC1 ZINC000051364278 569852107 /nfs/dbraw/zinc/85/21/07/569852107.db2.gz RQDLFJVAMARCPE-UHFFFAOYSA-N 0 0 463.553 4.283 50 0 JIAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2ccc(F)c(C)c2)cn3C2CC2)CC1 ZINC000051364347 569852233 /nfs/dbraw/zinc/85/22/33/569852233.db2.gz MHQXOZMKEARIBE-UHFFFAOYSA-N 0 0 466.532 4.317 50 0 JIAARN COc1cc(OC)cc(-c2noc(CCN(Cc3ccco3)C(=O)Cc3ccc(F)cc3)n2)c1 ZINC000105797463 569853493 /nfs/dbraw/zinc/85/34/93/569853493.db2.gz AUYYXZKPJHHYCD-UHFFFAOYSA-N 0 0 465.481 4.300 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccs4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000108521604 569859521 /nfs/dbraw/zinc/85/95/21/569859521.db2.gz ICJATUHUJPNYOZ-OLKYXYMISA-N 0 0 498.560 4.323 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@H](C=Cc4ccccc4)[C@@H]3C2=O)cc1 ZINC000108553337 569859531 /nfs/dbraw/zinc/85/95/31/569859531.db2.gz ZMQQRZMQHIJBJC-PDXATHTQSA-N 0 0 492.578 4.074 50 0 JIAARN CCOC(=O)C(C)(C)n1cc(-c2ccc3c(c2)OCCn2cc(-c4nc(C)nn4C(C)C)nc2-3)cn1 ZINC000116315458 569862747 /nfs/dbraw/zinc/86/27/47/569862747.db2.gz GEPYFMNKRMHMLU-UHFFFAOYSA-N 0 0 489.580 4.252 50 0 JIAARN CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1 ZINC000142250256 569867545 /nfs/dbraw/zinc/86/75/45/569867545.db2.gz LZLBRISQTJVZNP-UHFFFAOYSA-N 0 0 461.624 4.398 50 0 in-vitro JIAARN Cc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)CC(C)(C)C)[C@@H](C)C2)cc1 ZINC000169679868 569869913 /nfs/dbraw/zinc/86/99/13/569869913.db2.gz JTZPNCKXXBTKKS-RXFWQSSRSA-N 0 0 467.679 4.500 50 0 JIAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(S(=O)(=O)c4ccccc4)[C@@H](C)C3)ncn2)c1 ZINC000169681016 569870776 /nfs/dbraw/zinc/87/07/76/569870776.db2.gz LACDIIJEMJHVQC-KRWDZBQOSA-N 0 0 458.971 4.130 50 0 JIAARN CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](CC)O3)C1 ZINC000169683950 569871240 /nfs/dbraw/zinc/87/12/40/569871240.db2.gz GSZMASBIWFEECC-TZIWHRDSSA-N 0 0 499.633 4.015 50 0 JIAARN C[C@H](C(=O)NC[C@H]1CCCO1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000169710800 569871590 /nfs/dbraw/zinc/87/15/90/569871590.db2.gz HVILSMUKLGZTIY-OXTHUFEASA-N 0 0 462.974 4.418 50 0 JIAARN O=S(=O)(c1ccccc1)n1cc(I)c2cccc(Br)c21 ZINC000169725908 569871595 /nfs/dbraw/zinc/87/15/95/569871595.db2.gz SQECTGRWPCFLOY-UHFFFAOYSA-N 0 0 462.106 4.245 50 0 JIAARN CCOc1ccc(C(=O)N[C@H]2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cc1OCC ZINC000169753514 569871604 /nfs/dbraw/zinc/87/16/04/569871604.db2.gz NTXCVDSMWRHMLY-FQEVSTJZSA-N 0 0 452.530 4.412 50 0 JIAARN O=C(Cc1ccc(Br)cc1)N[C@H]1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000169753636 569871679 /nfs/dbraw/zinc/87/16/79/569871679.db2.gz BLCBASDHAJNKOB-IBGZPJMESA-N 0 0 457.347 4.306 50 0 JIAARN COc1cccc([C@@H]2Cn3nnc(-c4nc(-c5ccccc5Br)no4)c3CO2)c1 ZINC000169758455 569871942 /nfs/dbraw/zinc/87/19/42/569871942.db2.gz XBXKLIVCEDNTMQ-KRWDZBQOSA-N 0 0 454.284 4.038 50 0 JIAARN O=C(NCc1ccc(F)cc1Cl)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 ZINC000169758709 569872078 /nfs/dbraw/zinc/87/20/78/569872078.db2.gz WFFNBHNIGHEGEU-HSZRJFAPSA-N 0 0 496.970 4.116 50 0 JIAARN COc1ccc(NC(=O)C2CCN(C(=O)c3ncn4c3CO[C@H](c3ccccc3)C4)CC2)cc1Cl ZINC000169758754 569872095 /nfs/dbraw/zinc/87/20/95/569872095.db2.gz GTUSIZNGLRFJNC-QHCPKHFHSA-N 0 0 494.979 4.308 50 0 JIAARN Cc1c(F)cccc1NC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 ZINC000169758755 569872099 /nfs/dbraw/zinc/87/20/99/569872099.db2.gz GINXKDAZQWCXKR-HSZRJFAPSA-N 0 0 480.515 4.232 50 0 JIAARN COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)Nc5ccc(F)c(C)c5)CC4)c3CO2)cc1 ZINC000169758797 569872122 /nfs/dbraw/zinc/87/21/22/569872122.db2.gz ZQTIPKVMBVLLOJ-DEOSSOPVSA-N 0 0 492.551 4.102 50 0 JIAARN COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)Nc5ccc(C)cc5F)CC4)c3CO2)cc1 ZINC000169758791 569872136 /nfs/dbraw/zinc/87/21/36/569872136.db2.gz DROQGDWFAZSYMM-DEOSSOPVSA-N 0 0 492.551 4.102 50 0 JIAARN COc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(-c4ccccc4)cc3)CC2)c(OC)c1 ZINC000170610710 569872789 /nfs/dbraw/zinc/87/27/89/569872789.db2.gz HLANVNXDAIMITP-UHFFFAOYSA-N 0 0 474.557 4.171 50 0 JIAARN CS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@H](c3ccccc3)C2)cc1 ZINC000170618257 569873076 /nfs/dbraw/zinc/87/30/76/569873076.db2.gz CTGQSDGPGHMWIH-QFIPXVFZSA-N 0 0 490.006 4.252 50 0 JIAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc2cc(Oc3ccccc3)ccc2[nH]c1=O ZINC000170622755 569873200 /nfs/dbraw/zinc/87/32/00/569873200.db2.gz NZSQUWYXNUIXMZ-UHFFFAOYSA-N 0 0 475.526 4.113 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)N[C@H](CCSC)C(=O)N[C@@H]1CCCc3ccccc31)CC2 ZINC000209098412 569875941 /nfs/dbraw/zinc/87/59/41/569875941.db2.gz PKIKNWRPYIGDSH-DHIUTWEWSA-N 0 0 497.661 4.087 50 0 biogenic JIAARN COc1ccc(-c2cc(SC)n(-c3nc(N4CCCCC4)nc(N4CCCCC4)n3)n2)c(OC)c1 ZINC000214081891 569876276 /nfs/dbraw/zinc/87/62/76/569876276.db2.gz QHZQDVKYLASCAD-UHFFFAOYSA-N 0 0 495.653 4.444 50 0 JIAARN CCCCCOc1ccc(N2C(=O)C[C@H](SC(=S)N3C[C@@H](C)O[C@@H](C)C3)C2=O)cc1 ZINC000215692971 569877411 /nfs/dbraw/zinc/87/74/11/569877411.db2.gz UHASNIMCJOYOFR-FCEWJHQRSA-N 0 0 450.626 4.015 50 0 JIAARN COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CCN(c4ccccc4)CC3)c2c1 ZINC000215709729 569877474 /nfs/dbraw/zinc/87/74/74/569877474.db2.gz IZJSLCXHUMSUFY-IMRQLAEWSA-N 0 0 480.568 4.296 50 0 JIAARN 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50 0 JIAARN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC000245256630 570060394 /nfs/dbraw/zinc/06/03/94/570060394.db2.gz SAZJSMWBOZPESK-IYARVYRRSA-N 0 0 451.007 4.481 50 0 JIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc5c(c4)OCO5)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000245311382 570063526 /nfs/dbraw/zinc/06/35/26/570063526.db2.gz OMCDFHKEKMZSKE-ROXDYWFKSA-N 0 0 478.504 4.122 50 0 JIAARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)C1CCCCC1 ZINC000245328365 570065706 /nfs/dbraw/zinc/06/57/06/570065706.db2.gz OAZQUOIMVVTVEA-RXFWQSSRSA-N 0 0 465.663 4.335 50 0 JIAARN Cn1c2ccccc2nc1CN1CCC(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000247962433 570071660 /nfs/dbraw/zinc/07/16/60/570071660.db2.gz FZQBGIDOOHXUHT-UHFFFAOYSA-N 0 0 486.447 4.441 50 0 JIAARN O=C(C1=C2C(O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12)c1ccc(F)cc1 ZINC000247965144 570071860 /nfs/dbraw/zinc/07/18/60/570071860.db2.gz ZESFOJLOHYIQFI-ODAXIHTASA-N 0 0 473.891 4.241 50 0 JIAARN CCCCN1C(=O)[C@H]2[C@@H]3C=Cc4cc(Br)ccc4N3[C@@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000248209081 570076269 /nfs/dbraw/zinc/07/62/69/570076269.db2.gz CIOFOCGRLNTKHU-CADBVGFASA-N 0 0 459.384 4.050 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccccc1OC ZINC000248243404 570076566 /nfs/dbraw/zinc/07/65/66/570076566.db2.gz KFSXJKIUVUBXHR-IDNYDCHQSA-N 0 0 466.578 4.179 50 0 JIAARN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000248334168 570077912 /nfs/dbraw/zinc/07/79/12/570077912.db2.gz LFTONDLZUNVIIA-ZEMPLXOASA-N 0 0 470.356 4.041 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000248341498 570078115 /nfs/dbraw/zinc/07/81/15/570078115.db2.gz ZJOISBMKYHNDBR-ROXDYWFKSA-N 0 0 492.531 4.262 50 0 JIAARN CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000249700679 570078698 /nfs/dbraw/zinc/07/86/98/570078698.db2.gz XTEMPDFMPRQZLZ-HXUWFJFHSA-N 0 0 466.029 4.270 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000251268783 570079342 /nfs/dbraw/zinc/07/93/42/570079342.db2.gz KCLYBYNDAFNMDN-YKSBVNFPSA-N 0 0 470.616 4.086 50 0 JIAARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCCC4)C1 ZINC000252444109 570080650 /nfs/dbraw/zinc/08/06/50/570080650.db2.gz QWTJTJITMXFLSU-IXDOHACOSA-N 0 0 475.680 4.112 50 0 JIAARN O=C(NC(=S)Nc1cccc2c(NC(=S)NC(=O)c3ccco3)cccc12)c1ccco1 ZINC000252504812 570082392 /nfs/dbraw/zinc/08/23/92/570082392.db2.gz VMDFOAQBFZSDRW-UHFFFAOYSA-N 0 0 464.528 4.279 50 0 JIAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)[C@H](c1cccc(OC(F)F)c1)CC(=O)O3 ZINC000252508145 570082582 /nfs/dbraw/zinc/08/25/82/570082582.db2.gz XEEZIODYBFBRBM-SFHVURJKSA-N 0 0 471.456 4.075 50 0 JIAARN CCOC(=O)C1=C(C)N=c2sc(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000252602431 570085164 /nfs/dbraw/zinc/08/51/64/570085164.db2.gz FIAAERPVOPLDJK-BUOLWEPHSA-N 0 0 464.974 4.117 50 0 JIAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(F)cc4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252666238 570090800 /nfs/dbraw/zinc/09/08/00/570090800.db2.gz AWFSQRGYRDEXCB-XMMPIXPASA-N 0 0 488.540 4.197 50 0 JIAARN CCCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)csc1=Nc1ccc(OCC)cc1 ZINC000252668786 570091381 /nfs/dbraw/zinc/09/13/81/570091381.db2.gz FOQGLWDDHPCVDG-UHFFFAOYSA-N 0 0 487.647 4.279 50 0 JIAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3Cl)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000252669368 570091614 /nfs/dbraw/zinc/09/16/14/570091614.db2.gz HHUUMOOWEDSZIQ-FWAJGIHISA-N 0 0 464.974 4.117 50 0 JIAARN O=c1c(=Cc2cccc(O)c2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000252670199 570091939 /nfs/dbraw/zinc/09/19/39/570091939.db2.gz JVUJUSGLWFFDOR-RUZDIDTESA-N 0 0 454.526 4.163 50 0 JIAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccs3)c(=O)n2[C@@H]1c1ccc(OC)c2ccccc21 ZINC000252671228 570092410 /nfs/dbraw/zinc/09/24/10/570092410.db2.gz NBFLOXJVMAODSX-HSZRJFAPSA-N 0 0 490.606 4.022 50 0 JIAARN 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CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)[C@H](c3ccccc3)C2)c1 ZINC000009382454 194730447 /nfs/dbraw/zinc/73/04/47/194730447.db2.gz KPRDHRDDLWCNBH-QHCPKHFHSA-N 0 0 487.578 4.127 50 0 JIAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)c1ccc(Br)cc1 ZINC000009413544 194760013 /nfs/dbraw/zinc/76/00/13/194760013.db2.gz ZOQADPCFQXRGPY-AREMUKBSSA-N 0 0 450.745 4.303 50 0 JIAARN COc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc(Cl)cc4)nn32)cc1OC ZINC000009415413 194761727 /nfs/dbraw/zinc/76/17/27/194761727.db2.gz WTSMFQPJTZJJFC-UHFFFAOYSA-N 0 0 455.927 4.193 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2cccs2)cc1 ZINC000009427732 194769284 /nfs/dbraw/zinc/76/92/84/194769284.db2.gz SAEHTSVHOSYKFB-NRFANRHFSA-N 0 0 493.610 4.456 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1 ZINC000009432612 194777740 /nfs/dbraw/zinc/77/77/40/194777740.db2.gz NSUKVQVWGLEUTQ-GOTSBHOMSA-N 0 0 478.570 4.491 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccccc3)CC2)[C@H]1c1cccs1 ZINC000009407071 194748223 /nfs/dbraw/zinc/74/82/23/194748223.db2.gz IDMFXUQVHBQHBG-LOSJGSFVSA-N 0 0 475.614 4.024 50 0 JIAARN Cc1ccc(C)c(N2CCN([C@@H]3CCCC[C@H]3NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000009408728 194751342 /nfs/dbraw/zinc/75/13/42/194751342.db2.gz DTNXXURHARMYBF-DHIUTWEWSA-N 0 0 462.059 4.369 50 0 JIAARN COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2CC(=O)c2cc(C)sc2C)cc1 ZINC000009607813 194809376 /nfs/dbraw/zinc/80/93/76/194809376.db2.gz CQSPEDUPGFAXBK-JOCHJYFZSA-N 0 0 463.559 4.412 50 0 JIAARN COc1ccc(C2=NN(C(=O)CSc3nnc(Cc4ccccc4)n3C)[C@@H](c3ccco3)C2)cc1 ZINC000009604349 194807154 /nfs/dbraw/zinc/80/71/54/194807154.db2.gz MWPYQRWRYXPYDK-JOCHJYFZSA-N 0 0 487.585 4.478 50 0 JIAARN Cc1ccccc1Nc1nc(N)nc(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)n1 ZINC000009605041 194807611 /nfs/dbraw/zinc/80/76/11/194807611.db2.gz ULGGBJWZAPWFTC-UHFFFAOYSA-N 0 0 459.510 4.132 50 0 JIAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1)C(=O)OC ZINC000009435520 194782295 /nfs/dbraw/zinc/78/22/95/194782295.db2.gz MGZJCJCFNYPALO-QABPDZFRSA-N 0 0 458.530 4.088 50 0 JIAARN Cc1sc2c(c1C)c(=O)n(-c1ccc3c(c1)OCO3)c(=O)n2CC(=O)Nc1c(C)cc(C)cc1C ZINC000009599090 194799541 /nfs/dbraw/zinc/79/95/41/194799541.db2.gz SUFWBDGVMRTTDU-UHFFFAOYSA-N 0 0 491.569 4.123 50 0 JIAARN CSc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)cc2s1 ZINC000009599515 194800202 /nfs/dbraw/zinc/80/02/02/194800202.db2.gz NVNIQGRBSXQVRJ-MRXNPFEDSA-N 0 0 477.633 4.070 50 0 JIAARN COC(=O)[C@H](NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)c(C)c2)c1C)C(C)C ZINC000009610265 194813900 /nfs/dbraw/zinc/81/39/00/194813900.db2.gz FMHIYRHAQCGMLT-XMMPIXPASA-N 0 0 450.583 4.209 50 0 JIAARN Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1-c1ccc(Cl)cc1 ZINC000009611073 194815303 /nfs/dbraw/zinc/81/53/03/194815303.db2.gz RTMNKVFODLLURL-UHFFFAOYSA-N 0 0 481.965 4.310 50 0 JIAARN CCCCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000009611023 194815320 /nfs/dbraw/zinc/81/53/20/194815320.db2.gz IPJBBLGYDIIBQK-UHFFFAOYSA-N 0 0 467.595 4.056 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2Cc2ccccc2)cc1 ZINC000009611047 194815385 /nfs/dbraw/zinc/81/53/85/194815385.db2.gz MLXPLGGTQXRAMG-UHFFFAOYSA-N 0 0 461.591 4.385 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000009612900 194818653 /nfs/dbraw/zinc/81/86/53/194818653.db2.gz IXLCUHWCSMUYPF-UHFFFAOYSA-N 0 0 481.087 4.198 50 0 JIAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(Br)cc1 ZINC000009632725 194832156 /nfs/dbraw/zinc/83/21/56/194832156.db2.gz ZCUSKBFKXNOPTF-UHFFFAOYSA-N 0 0 480.380 4.054 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000009632787 194832273 /nfs/dbraw/zinc/83/22/73/194832273.db2.gz CYLNLXYLXFUURX-UHFFFAOYSA-N 0 0 466.987 4.319 50 0 JIAARN Cc1cccc(-n2c(SCC(=O)c3ccc(Br)s3)nnc2N2CCOCC2)c1 ZINC000009640663 194844763 /nfs/dbraw/zinc/84/47/63/194844763.db2.gz NRZCMAGYXIFYFH-UHFFFAOYSA-N 0 0 479.425 4.211 50 0 JIAARN C=C1C(N2CCC(C(=O)NCc3ccccc3C)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000009642113 194847201 /nfs/dbraw/zinc/84/72/01/194847201.db2.gz PJACHXZZQIRCEB-UHFFFAOYSA-N 0 0 472.010 4.150 50 0 JIAARN COc1ccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1OC ZINC000009661133 194855956 /nfs/dbraw/zinc/85/59/56/194855956.db2.gz JYJPLZHXUWBYHH-UHFFFAOYSA-N 0 0 489.923 4.233 50 0 JIAARN Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2)cc1 ZINC000009680506 194887840 /nfs/dbraw/zinc/88/78/40/194887840.db2.gz DNZCBXCZKFCEGF-UHFFFAOYSA-N 0 0 477.630 4.053 50 0 JIAARN O=C1c2ccccc2[C@H](Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1c1cccnc1 ZINC000009681322 194888514 /nfs/dbraw/zinc/88/85/14/194888514.db2.gz LOZCWRKJAGNQKD-XMMPIXPASA-N 0 0 462.575 4.417 50 0 JIAARN CCCCc1ccc(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)cc1 ZINC000009673896 194879986 /nfs/dbraw/zinc/87/99/86/194879986.db2.gz YSIKIJGBTSIEAK-UHFFFAOYSA-N 0 0 488.997 4.492 50 0 JIAARN COc1ccc(C)cc1NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000009676467 194882281 /nfs/dbraw/zinc/88/22/81/194882281.db2.gz XXJYTSYSPLZQTC-FTJBHMTQSA-N 0 0 472.541 4.496 50 0 JIAARN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 ZINC000009712767 194907205 /nfs/dbraw/zinc/90/72/05/194907205.db2.gz WKBYFZNOFGCZGY-UHFFFAOYSA-N 0 0 458.333 4.336 50 0 JIAARN O=c1c(Cl)c(N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cnn1-c1ccccc1 ZINC000009728655 194926076 /nfs/dbraw/zinc/92/60/76/194926076.db2.gz XMGMMYJPMZDCEV-UHFFFAOYSA-N 0 0 465.916 4.002 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000009780389 194958998 /nfs/dbraw/zinc/95/89/98/194958998.db2.gz BZXJGNPJQPVQAP-MUUNZHRXSA-N 0 0 499.523 4.278 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1 ZINC000009782225 194961176 /nfs/dbraw/zinc/96/11/76/194961176.db2.gz YZGCPZQSHULCST-UHFFFAOYSA-N 0 0 452.561 4.070 50 0 JIAARN Cc1cc(NC(=O)CNc2cc(S(=O)(=O)N3CCCCC3)ccc2Oc2ccccc2)no1 ZINC000009782950 194962437 /nfs/dbraw/zinc/96/24/37/194962437.db2.gz IZEUWSHICPSZGX-UHFFFAOYSA-N 0 0 470.551 4.001 50 0 JIAARN Cc1c(NC(=O)c2cccc(NC(=O)CCc3cccs3)c2)c(=O)n(-c2ccccc2)n1C ZINC000009789364 194965187 /nfs/dbraw/zinc/96/51/87/194965187.db2.gz YCFKDEBLWHBOFX-UHFFFAOYSA-N 0 0 460.559 4.370 50 0 JIAARN Cc1cc(C)n2c(nnc2SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)n1 ZINC000009795882 194968536 /nfs/dbraw/zinc/96/85/36/194968536.db2.gz LPBHWXCPDBAUDZ-GOSISDBHSA-N 0 0 466.954 4.458 50 0 JIAARN CC(=O)c1cc2c(cc1NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C)OCO2 ZINC000009815425 194973991 /nfs/dbraw/zinc/97/39/91/194973991.db2.gz ZXNGASXQTSJSDS-IBGZPJMESA-N 0 0 451.306 4.318 50 0 JIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2c(C)nc3ccccc3c2=O)cc1 ZINC000009865119 195003469 /nfs/dbraw/zinc/00/34/69/195003469.db2.gz ZWLYNUKXLYOLJC-VWLOTQADSA-N 0 0 452.514 4.091 50 0 JIAARN O=C(CSc1nccn1-c1cccc(F)c1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009866383 195003838 /nfs/dbraw/zinc/00/38/38/195003838.db2.gz ADDRGBOOCNGRHK-UHFFFAOYSA-N 0 0 495.001 4.180 50 0 JIAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000009836375 194987384 /nfs/dbraw/zinc/98/73/84/194987384.db2.gz QLICBIJIOPLDIJ-UHFFFAOYSA-N 0 0 482.524 4.177 50 0 JIAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1cccc(OC)c1 ZINC000009855987 194996707 /nfs/dbraw/zinc/99/67/07/194996707.db2.gz JDWGNZVFKXROJD-UHFFFAOYSA-N 0 0 456.498 4.279 50 0 JIAARN COc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4nc(CC(C)C)sc4n3)c2)cc1OC ZINC000009858748 194999240 /nfs/dbraw/zinc/99/92/40/194999240.db2.gz BJYPFIQRZSKSQN-UHFFFAOYSA-N 0 0 494.573 4.198 50 0 JIAARN Cc1ccc2cccc(OC(=O)c3ccc(Cl)c(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c3)c2n1 ZINC000009861801 195002149 /nfs/dbraw/zinc/00/21/49/195002149.db2.gz ZTVLSNKJDQYWQL-HOTGVXAUSA-N 0 0 474.966 4.214 50 0 JIAARN C[C@@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)c1nnc(-c2cccs2)o1 ZINC000009863012 195002587 /nfs/dbraw/zinc/00/25/87/195002587.db2.gz SOLXDFDSSZBHIZ-OAHLLOKOSA-N 0 0 454.581 4.128 50 0 JIAARN O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000009899964 195017087 /nfs/dbraw/zinc/01/70/87/195017087.db2.gz HLSQXQPYOXCKGA-UHFFFAOYSA-N 0 0 457.555 4.118 50 0 JIAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000009896757 195017129 /nfs/dbraw/zinc/01/71/29/195017129.db2.gz MMPMXFWAWJZFSY-UHFFFAOYSA-N 0 0 492.626 4.463 50 0 JIAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)Cc2ccccc2)c1 ZINC000009907949 195018831 /nfs/dbraw/zinc/01/88/31/195018831.db2.gz VLQHIKMOLGGQBW-UHFFFAOYSA-N 0 0 471.557 4.007 50 0 JIAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccccc2F)c1 ZINC000009907958 195018855 /nfs/dbraw/zinc/01/88/55/195018855.db2.gz MJNYMOFETHDKLA-UHFFFAOYSA-N 0 0 475.520 4.217 50 0 JIAARN Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)C(C)C)cc1 ZINC000009908867 195019688 /nfs/dbraw/zinc/01/96/88/195019688.db2.gz BOOMHPMACUZKDC-QHCPKHFHSA-N 0 0 478.618 4.348 50 0 JIAARN O=S(=O)(c1nnn2c3ccsc3c(N3CCCCCC3)nc12)c1ccc(Br)cc1 ZINC000009909500 195020514 /nfs/dbraw/zinc/02/05/14/195020514.db2.gz QKHPRPXFAVBIAP-UHFFFAOYSA-N 0 0 492.424 4.315 50 0 JIAARN CCN1C[C@@H](CN(C)c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)Oc2ccccc21 ZINC000009911761 195021674 /nfs/dbraw/zinc/02/16/74/195021674.db2.gz LPPMLJMXQKZFRC-OAHLLOKOSA-N 0 0 479.890 4.023 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc4ccccc4c3)c12 ZINC000009873429 195007607 /nfs/dbraw/zinc/00/76/07/195007607.db2.gz CNNVNVPVKGQQIE-HXUWFJFHSA-N 0 0 460.559 4.382 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(CN3CCCCC3)n2-c2ccccc2)cc1OC ZINC000009878546 195009317 /nfs/dbraw/zinc/00/93/17/195009317.db2.gz TZIPJSYGXKKXIX-UHFFFAOYSA-N 0 0 467.595 4.001 50 0 JIAARN CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N3CCCC3)c1)CC2 ZINC000009882206 195010043 /nfs/dbraw/zinc/01/00/43/195010043.db2.gz NXAICZWOLICRPC-UHFFFAOYSA-N 0 0 493.025 4.120 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1Br ZINC000009882456 195010470 /nfs/dbraw/zinc/01/04/70/195010470.db2.gz MVMCDUDDXQFYLZ-GFCCVEGCSA-N 0 0 454.752 4.009 50 0 JIAARN C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)CC1=O ZINC000009882400 195010476 /nfs/dbraw/zinc/01/04/76/195010476.db2.gz SUMITDBMDJRIEN-NZQKXSOJSA-N 0 0 455.558 4.207 50 0 JIAARN C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CSCc1nc(N)nc(Nc2ccc(Cl)cc2)n1 ZINC000009882397 195010499 /nfs/dbraw/zinc/01/04/99/195010499.db2.gz OSJYUBBBPYZFMP-LLVKDONJSA-N 0 0 474.940 4.273 50 0 JIAARN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nnc3n2CCCCC3)nc1C ZINC000009882707 195011033 /nfs/dbraw/zinc/01/10/33/195011033.db2.gz KOOTYMZRPRCTNO-UHFFFAOYSA-N 0 0 485.635 4.272 50 0 JIAARN O=C(/C=C/c1cccs1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000009883207 195011348 /nfs/dbraw/zinc/01/13/48/195011348.db2.gz AORBPBLRKDYZBJ-JXMROGBWSA-N 0 0 488.562 4.352 50 0 JIAARN COc1cc(OC)cc([C@H](NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c2nccn2C)c1 ZINC000009883249 195011563 /nfs/dbraw/zinc/01/15/63/195011563.db2.gz HVCXJQSYIYKBNA-QFIPXVFZSA-N 0 0 471.623 4.420 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C=C(C)C)c1 ZINC000009883265 195011599 /nfs/dbraw/zinc/01/15/99/195011599.db2.gz KZLPWABOLDAILA-UHFFFAOYSA-N 0 0 450.944 4.003 50 0 JIAARN COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)cc1OC ZINC000009933324 195024914 /nfs/dbraw/zinc/02/49/14/195024914.db2.gz JUMYHBQMIZODHX-HHHXNRCGSA-N 0 0 469.541 4.089 50 0 JIAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000009884492 195013158 /nfs/dbraw/zinc/01/31/58/195013158.db2.gz DFSMJOWRNLYJAV-UHFFFAOYSA-N 0 0 472.520 4.440 50 0 JIAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000009884484 195013257 /nfs/dbraw/zinc/01/32/57/195013257.db2.gz GSBGBYWOSZBMFZ-UHFFFAOYSA-N 0 0 457.511 4.228 50 0 JIAARN C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4cc(S(C)(=O)=O)ccc4Cl)cc3c2C1 ZINC000009884538 195013401 /nfs/dbraw/zinc/01/34/01/195013401.db2.gz GVZNRSWWWRBDDA-ZDUSSCGKSA-N 0 0 474.966 4.145 50 0 JIAARN COc1ccc(C[C@H](NC(=O)C2CCN(C(=O)c3ccco3)CC2)c2ccc(OC)cc2)cc1 ZINC000009885171 195014425 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CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1-c1ccc(OC)cc1 ZINC000012789709 195130638 /nfs/dbraw/zinc/13/06/38/195130638.db2.gz AKIIRCDPEGNOCR-HXUWFJFHSA-N 0 0 480.590 4.201 50 0 JIAARN C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000012791472 195132209 /nfs/dbraw/zinc/13/22/09/195132209.db2.gz AXXLOAWZNIJKLR-LFVRLGFBSA-N 0 0 465.556 4.309 50 0 JIAARN CCCCN1C(=O)C[C@@H](C(=O)N(C)Cc2c(Cl)nc3sccn23)[C@H]1c1ccc(OC)cc1 ZINC000012791562 195132518 /nfs/dbraw/zinc/13/25/18/195132518.db2.gz XQWWBEAVMXNODR-YLJYHZDGSA-N 0 0 475.014 4.406 50 0 JIAARN CCn1c(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nnc1-c1ccccc1 ZINC000012792929 195133453 /nfs/dbraw/zinc/13/34/53/195133453.db2.gz RZVPPTODIFCUTJ-IBGZPJMESA-N 0 0 450.564 4.192 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000012796352 195136177 /nfs/dbraw/zinc/13/61/77/195136177.db2.gz NLNJBGPICXXYFY-DEOSSOPVSA-N 0 0 482.627 4.488 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000012796366 195136293 /nfs/dbraw/zinc/13/62/93/195136293.db2.gz DNDLLRPWHXLPEX-UHFFFAOYSA-N 0 0 458.502 4.316 50 0 JIAARN COc1ccc([C@H](CNC(=O)c2cccc(Oc3ccccc3)c2)N2CCOCC2)cc1OC ZINC000012796714 195136462 /nfs/dbraw/zinc/13/64/62/195136462.db2.gz XZURNPWMFSXPJE-DEOSSOPVSA-N 0 0 462.546 4.299 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1 ZINC000012797933 195137462 /nfs/dbraw/zinc/13/74/62/195137462.db2.gz VQQNHPOMHORDIA-RDTXWAMCSA-N 0 0 471.608 4.263 50 0 JIAARN Cc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1I ZINC000012800094 195138814 /nfs/dbraw/zinc/13/88/14/195138814.db2.gz BRJCDRJLECTFBF-UHFFFAOYSA-N 0 0 493.370 4.279 50 0 JIAARN C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1CCC(N)=O)c1ccc(-c2ccccc2)cc1 ZINC000012803165 195140489 /nfs/dbraw/zinc/14/04/89/195140489.db2.gz LNUIUVHOVOEOKR-QGZVFWFLSA-N 0 0 475.574 4.050 50 0 JIAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000012805847 195141582 /nfs/dbraw/zinc/14/15/82/195141582.db2.gz NBBKRUFFCPURMO-UHFFFAOYSA-N 0 0 466.893 4.025 50 0 JIAARN Cc1cc(Br)c(NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c(Br)c1 ZINC000012806378 195141840 /nfs/dbraw/zinc/14/18/40/195141840.db2.gz JSLACQSZLKATRO-UHFFFAOYSA-N 0 0 485.107 4.115 50 0 JIAARN Cc1ccc([C@H](NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c2ccccc2)cc1C ZINC000012806616 195142086 /nfs/dbraw/zinc/14/20/86/195142086.db2.gz WIJKRQXMXPRJGQ-GGXMVOPNSA-N 0 0 467.569 4.293 50 0 JIAARN CC[C@H](c1nnc(SCC(=O)NCc2ccc(C)c(F)c2)n1Cc1ccccc1)N(C)C ZINC000012809481 195143489 /nfs/dbraw/zinc/14/34/89/195143489.db2.gz NXSNGCITMHXATN-OAQYLSRUSA-N 0 0 455.603 4.195 50 0 JIAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CSc1nnnn1-c1cccc(Cl)c1 ZINC000012809599 195143498 /nfs/dbraw/zinc/14/34/98/195143498.db2.gz RWZFHRJWMWRMBQ-UHFFFAOYSA-N 0 0 453.959 4.157 50 0 JIAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012812697 195145083 /nfs/dbraw/zinc/14/50/83/195145083.db2.gz HVKIDKAWISJFGG-UHFFFAOYSA-N 0 0 492.544 4.436 50 0 JIAARN CN(CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1)CC(=O)Nc1ccccc1Cl ZINC000012814205 195146033 /nfs/dbraw/zinc/14/60/33/195146033.db2.gz RPNMNMRCUXITRC-UHFFFAOYSA-N 0 0 450.898 4.251 50 0 JIAARN CCn1c(S[C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccc(OC)cc1 ZINC000012815728 195146865 /nfs/dbraw/zinc/14/68/65/195146865.db2.gz HZDSADRMIWUULT-SBNSQYLKSA-N 0 0 483.638 4.249 50 0 JIAARN CN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)CC(=O)Nc1ccccc1Br ZINC000012818093 195147969 /nfs/dbraw/zinc/14/79/69/195147969.db2.gz MKXVMTJOMPCMOV-UHFFFAOYSA-N 0 0 477.359 4.221 50 0 JIAARN CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(C(=O)[C@H]2CCCN2C(=O)c2cccs2)CC1 ZINC000012820150 195148935 /nfs/dbraw/zinc/14/89/35/195148935.db2.gz DLUZQUSHPMVDIQ-FGZHOGPDSA-N 0 0 486.609 4.467 50 0 JIAARN CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 ZINC000012820140 195148992 /nfs/dbraw/zinc/14/89/92/195148992.db2.gz DLUZQUSHPMVDIQ-YADHBBJMSA-N 0 0 486.609 4.467 50 0 JIAARN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)c1cccc(Cl)c1 ZINC000012820823 195149177 /nfs/dbraw/zinc/14/91/77/195149177.db2.gz AJZFAWXEVPXOEK-ZNMIVQPWSA-N 0 0 471.406 4.282 50 0 JIAARN CC(C)CN(Cn1nc(Nc2cccc(Br)c2)sc1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012823135 195150308 /nfs/dbraw/zinc/15/03/08/195150308.db2.gz RDORFIJKHWUQTP-HNNXBMFYSA-N 0 0 491.502 4.283 50 0 JIAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000012823907 195150414 /nfs/dbraw/zinc/15/04/14/195150414.db2.gz BUCXXCZYFMYZRP-UHFFFAOYSA-N 0 0 466.969 4.147 50 0 JIAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000012828896 195150995 /nfs/dbraw/zinc/15/09/95/195150995.db2.gz KIOBHLCYINVASH-UHFFFAOYSA-N 0 0 490.560 4.148 50 0 JIAARN COC(=O)c1ccccc1NC(=O)c1cnn2c1nc(-c1ccccc1OC)cc2C(F)(F)F ZINC000012845391 195151866 /nfs/dbraw/zinc/15/18/66/195151866.db2.gz LTKXEVPFCWYLKN-UHFFFAOYSA-N 0 0 470.407 4.463 50 0 JIAARN COc1ccccc1[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCc3ccc4c(c3)OCO4)c2N1 ZINC000012847588 195152988 /nfs/dbraw/zinc/15/29/88/195152988.db2.gz NRRJKKBSUSMFBT-OXJNMPFZSA-N 0 0 474.439 4.211 50 0 JIAARN Cc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1S(=O)(=O)N1CCCCCC1 ZINC000012854311 195156510 /nfs/dbraw/zinc/15/65/10/195156510.db2.gz FMOWZXVTOPTMBL-HXUWFJFHSA-N 0 0 489.663 4.255 50 0 JIAARN Cc1ccc(CCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1Cl ZINC000012855338 195157106 /nfs/dbraw/zinc/15/71/06/195157106.db2.gz UHFUZWXBALLVGI-UHFFFAOYSA-N 0 0 467.919 4.383 50 0 JIAARN COc1cc(OC)c(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1Cl ZINC000012858924 195158851 /nfs/dbraw/zinc/15/88/51/195158851.db2.gz CICNVAKZBXNVJJ-UHFFFAOYSA-N 0 0 461.952 4.496 50 0 JIAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4ccc(NC(C)=O)cc4)c(C)c13)CCC(C)(C)O2 ZINC000012899082 195176688 /nfs/dbraw/zinc/17/66/88/195176688.db2.gz TVIHDHQEMWOGHW-UHFFFAOYSA-N 0 0 464.518 4.353 50 0 biogenic JIAARN CC(C)[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012873812 195164846 /nfs/dbraw/zinc/16/48/46/195164846.db2.gz VDXCFDIKQJORJH-CHNYNYQGSA-N 0 0 486.616 4.366 50 0 biogenic JIAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000012874327 195165152 /nfs/dbraw/zinc/16/51/52/195165152.db2.gz JNUDHPKFCRBFPA-FQEVSTJZSA-N 0 0 454.567 4.321 50 0 biogenic JIAARN COc1ccc(CCNC(=O)Cc2c(C)c3c(OC)cc4c(c3oc2=O)CCC(C)(C)O4)cc1 ZINC000012899705 195176791 /nfs/dbraw/zinc/17/67/91/195176791.db2.gz CRJGAIQUMINJKR-UHFFFAOYSA-N 0 0 465.546 4.124 50 0 biogenic JIAARN O=C(CN1CCC(C(=O)N2CCCCC2)CC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000012875731 195165878 /nfs/dbraw/zinc/16/58/78/195165878.db2.gz KAQJZZBMHWCHKL-HSZRJFAPSA-N 0 0 483.012 4.335 50 0 JIAARN COc1ccc(CCNC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H]3c4ccccc4C(=O)N32)cc1 ZINC000012882266 195169166 /nfs/dbraw/zinc/16/91/66/195169166.db2.gz YXUMEURRJQTZLX-AZGAKELHSA-N 0 0 451.526 4.005 50 0 biogenic JIAARN COc1cc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc(Cl)c1OC(C)C ZINC000012886379 195170421 /nfs/dbraw/zinc/17/04/21/195170421.db2.gz FQIIGYAVROJELR-KBPBESRZSA-N 0 0 453.992 4.454 50 0 JIAARN COc1ccc(-c2nc(COC(=O)[C@]34CCC(=O)N3c3ccccc3S4)cs2)c(OC)c1 ZINC000012886797 195170775 /nfs/dbraw/zinc/17/07/75/195170775.db2.gz UFGCDYYKUKZLTO-HSZRJFAPSA-N 0 0 468.556 4.500 50 0 JIAARN CCc1cc(=O)oc2c3c(cc(OCC(=O)NCCc4ccc(OC)c(OC)c4)c12)OC(C)(C)CC3 ZINC000012887102 195170950 /nfs/dbraw/zinc/17/09/50/195170950.db2.gz KVWCPNKKKARGJJ-UHFFFAOYSA-N 0 0 495.572 4.214 50 0 biogenic JIAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000012890495 195172546 /nfs/dbraw/zinc/17/25/46/195172546.db2.gz DIWXYJKVRVUGQJ-UHFFFAOYSA-N 0 0 478.570 4.219 50 0 JIAARN CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)cc1OCC ZINC000012891983 195173603 /nfs/dbraw/zinc/17/36/03/195173603.db2.gz KSYSDDRKQMMSHE-UHFFFAOYSA-N 0 0 454.976 4.420 50 0 JIAARN Cc1cc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1Br ZINC000012894065 195174412 /nfs/dbraw/zinc/17/44/12/195174412.db2.gz USDMZARZSPMUOB-UHFFFAOYSA-N 0 0 471.321 4.322 50 0 JIAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000012895406 195175169 /nfs/dbraw/zinc/17/51/69/195175169.db2.gz FHBUHWDSGGCIBL-UHFFFAOYSA-N 0 0 453.347 4.233 50 0 JIAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)occ3-c1ccccc1 ZINC000012896424 195175413 /nfs/dbraw/zinc/17/54/13/195175413.db2.gz BFUKTHBSKAESPT-GOSISDBHSA-N 0 0 479.554 4.093 50 0 biogenic JIAARN Cc1sc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)nc1-c1ccc(OC(F)F)cc1 ZINC000012863708 195160514 /nfs/dbraw/zinc/16/05/14/195160514.db2.gz LEZWEPSUDSSPFZ-UHFFFAOYSA-N 0 0 478.521 4.303 50 0 JIAARN O=C(C[C@@H]1Oc2ccccc2NC1=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000012903854 195178455 /nfs/dbraw/zinc/17/84/55/195178455.db2.gz AYVPKBUBECRHLS-QHCPKHFHSA-N 0 0 456.477 4.084 50 0 JIAARN Cc1nn(C)c(C)c1Cn1nc(C)c(NC(=O)c2cccc(OCn3cc(Cl)cn3)c2)c1C ZINC000020606048 195181031 /nfs/dbraw/zinc/18/10/31/195181031.db2.gz OWQIREJBHXTPDC-UHFFFAOYSA-N 0 0 467.961 4.037 50 0 JIAARN CCn1nccc1CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)s1 ZINC000020607030 195181325 /nfs/dbraw/zinc/18/13/25/195181325.db2.gz YNRLJRWCCKPJQL-UHFFFAOYSA-N 0 0 454.415 4.161 50 0 JIAARN COC(=O)c1cc(I)ccc1NC=C1N=C(c2cccc3ccccc32)OC1=O ZINC000020616284 195187804 /nfs/dbraw/zinc/18/78/04/195187804.db2.gz MFBFDMXNISMCRF-XDHOZWIPSA-N 0 0 498.276 4.488 50 0 JIAARN Cc1nn(C)cc1CN1CCN(C(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)CC1 ZINC000020617697 195189480 /nfs/dbraw/zinc/18/94/80/195189480.db2.gz IISPEYWBQZUWDQ-UHFFFAOYSA-N 0 0 488.539 4.106 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(Cc4nc5ccccc5n4C)CC3)cc2)cc1 ZINC000020624259 195191147 /nfs/dbraw/zinc/19/11/47/195191147.db2.gz SWILVVHJWOGIQP-UHFFFAOYSA-N 0 0 475.618 4.005 50 0 JIAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000020681059 195203997 /nfs/dbraw/zinc/20/39/97/195203997.db2.gz XGKRWIQVEXUPCX-UHFFFAOYSA-N 0 0 487.625 4.450 50 0 JIAARN COc1ccc([C@@H]2CSCCN2C(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)cc1 ZINC000020731879 195210899 /nfs/dbraw/zinc/21/08/99/195210899.db2.gz RXVAMQJNLSMYJZ-QFIPXVFZSA-N 0 0 453.560 4.368 50 0 JIAARN COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Br)cc2F)cc1 ZINC000020733052 195211140 /nfs/dbraw/zinc/21/11/40/195211140.db2.gz OTYTZWWBFJSKEZ-LJQANCHMSA-N 0 0 473.302 4.278 50 0 JIAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(C(=O)c4ccccc4)cc2)CS(=O)(=O)C3)c1C ZINC000020662371 195196022 /nfs/dbraw/zinc/19/60/22/195196022.db2.gz MEPQNKVQDVBLIX-UHFFFAOYSA-N 0 0 485.565 4.401 50 0 JIAARN O=C(Nc1nc2ccccc2s1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000020836919 195229952 /nfs/dbraw/zinc/22/99/52/195229952.db2.gz QNJZBSJLFZFQLL-UHFFFAOYSA-N 0 0 496.589 4.199 50 0 JIAARN COc1ccc(CNC(=O)C[C@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020850835 195231103 /nfs/dbraw/zinc/23/11/03/195231103.db2.gz OFDGJLGWZVXHSY-DEOSSOPVSA-N 0 0 485.005 4.343 50 0 JIAARN CCOc1ccccc1C(=O)NC(NCc1ccc(OC)cc1)(C(F)(F)F)C(F)(F)F ZINC000020792574 195225803 /nfs/dbraw/zinc/22/58/03/195225803.db2.gz MEBHZURHQQGIBK-UHFFFAOYSA-N 0 0 450.379 4.434 50 0 JIAARN COc1ccccc1CNc1nc2c(S(=O)(=O)c3ccc(C)c(C)c3)nnn2c2ccsc21 ZINC000020922168 195248037 /nfs/dbraw/zinc/24/80/37/195248037.db2.gz IXDSBIABJVEUSO-UHFFFAOYSA-N 0 0 479.587 4.409 50 0 JIAARN O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000020898279 195240319 /nfs/dbraw/zinc/24/03/19/195240319.db2.gz VFKKIZXNCWGNQD-UHFFFAOYSA-N 0 0 462.615 4.457 50 0 JIAARN Cn1c2c(c(-c3ccccc3)n3c2[C@@H](c2ccc(F)cc2)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000020898538 195240416 /nfs/dbraw/zinc/24/04/16/195240416.db2.gz AIRWQVHAGWAKME-JOCHJYFZSA-N 0 0 452.489 4.349 50 0 JIAARN COc1ccc(-c2c3c(c4n2-c2ccccc2N[C@H]4c2ccc(F)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000020898616 195240617 /nfs/dbraw/zinc/24/06/17/195240617.db2.gz HPSVRAONXJEEDP-QHCPKHFHSA-N 0 0 482.515 4.358 50 0 JIAARN Cc1ccc(-c2c3c(c4n2-c2ccccc2N[C@@H]4c2ccc4c(c2)OCO4)n(C)c(=O)n(C)c3=O)cc1 ZINC000020898547 195240694 /nfs/dbraw/zinc/24/06/94/195240694.db2.gz WVYVNAVJSXTHRX-XMMPIXPASA-N 0 0 492.535 4.247 50 0 JIAARN CCCOC(=O)c1ccc(-n2nnc3c(sc4nc(C)c(Br)c(C)c43)c2=O)cc1 ZINC000020899370 195240808 /nfs/dbraw/zinc/24/08/08/195240808.db2.gz ORXPZGQQNBMIPA-UHFFFAOYSA-N 0 0 473.352 4.337 50 0 JIAARN CCCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000020902981 195242661 /nfs/dbraw/zinc/24/26/61/195242661.db2.gz GNEWADWMFZFRGW-CMPWMSKVSA-N 0 0 455.599 4.368 50 0 JIAARN CCOc1ccccc1CN1CCN(c2cccc3c2C(=O)N(Cc2ccccc2F)C3=O)CC1 ZINC000020857930 195232371 /nfs/dbraw/zinc/23/23/71/195232371.db2.gz PVHMGOXBWVJVHH-UHFFFAOYSA-N 0 0 473.548 4.343 50 0 JIAARN CCOC(=O)[C@@H](C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1 ZINC000020858700 195232633 /nfs/dbraw/zinc/23/26/33/195232633.db2.gz HBPZRYRDMGEKPU-GWKODMSMSA-N 0 0 482.650 4.203 50 0 JIAARN CC(C)c1nn2c(nc(COc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)cc2=O)s1 ZINC000020859198 195232768 /nfs/dbraw/zinc/23/27/68/195232768.db2.gz UDLNVGRLBSPJIQ-UHFFFAOYSA-N 0 0 490.994 4.308 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)Nc3cccc(F)c3)cc2)c1 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CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(Oc2ccc(C(=O)NC(C)C)cn2)cc1 ZINC000065063562 519714488 /nfs/dbraw/zinc/71/44/88/519714488.db2.gz LLMRXQAYAAZVAY-UHFFFAOYSA-N 0 0 482.562 4.080 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)C2)cc1 ZINC000020416227 519724459 /nfs/dbraw/zinc/72/44/59/519724459.db2.gz KYZCENWCLUXJMW-OAQYLSRUSA-N 0 0 496.571 4.112 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000016818992 519730995 /nfs/dbraw/zinc/73/09/95/519730995.db2.gz WEBOCIKMGKZDSV-NRFANRHFSA-N 0 0 474.380 4.003 50 0 JIAARN CC(=O)Nc1cccc(-n2nnnc2S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000040062660 519735662 /nfs/dbraw/zinc/73/56/62/519735662.db2.gz RMMVKSRJCMPNEC-KRWDZBQOSA-N 0 0 472.574 4.007 50 0 JIAARN CC(C)Oc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(Cc3ccccc3F)c4=O)n2)cc1 ZINC000038487721 519778227 /nfs/dbraw/zinc/77/82/27/519778227.db2.gz ZEICFHUSFBFIJU-UHFFFAOYSA-N 0 0 472.476 4.381 50 0 JIAARN CC(C)Oc1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1 ZINC000033326648 519781352 /nfs/dbraw/zinc/78/13/52/519781352.db2.gz VJXUZMLSTZXNFJ-HXUWFJFHSA-N 0 0 483.608 4.168 50 0 JIAARN CC(C)[C@@H](C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000001917108 519789811 /nfs/dbraw/zinc/78/98/11/519789811.db2.gz FTAIUEXINDCNRT-SFHVURJKSA-N 0 0 482.842 4.161 50 0 JIAARN CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000008876178 519819817 /nfs/dbraw/zinc/81/98/17/519819817.db2.gz WYENAOCVRLHAJH-CQUDIQMESA-N 0 0 493.673 4.313 50 0 biogenic JIAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)c1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1 ZINC000033257612 519821329 /nfs/dbraw/zinc/82/13/29/519821329.db2.gz ORJXFNHTOUGQPG-NRFANRHFSA-N 0 0 481.578 4.170 50 0 JIAARN CC(C)c1ccc(NC(=O)[C@H](C)N2CC3=C(C2=O)[C@@H](c2ccccc2Cl)NC(=O)N3C)cc1 ZINC000034792988 519837630 /nfs/dbraw/zinc/83/76/30/519837630.db2.gz ITOBETUHYNJYST-OYHNWAKOSA-N 0 0 466.969 4.283 50 0 JIAARN CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CC[C@@H](C)Sc4ccccc43)C2=O)cc1 ZINC000022495803 519839745 /nfs/dbraw/zinc/83/97/45/519839745.db2.gz JYGHVPIFTXOOOY-CRICUBBOSA-N 0 0 451.592 4.495 50 0 JIAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3c(F)cccc3Cl)c2=O)cc1 ZINC000045899457 519882052 /nfs/dbraw/zinc/88/20/52/519882052.db2.gz JHZOMQWUJWGQMG-UHFFFAOYSA-N 0 0 479.939 4.062 50 0 JIAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(C)C ZINC000036122328 519882834 /nfs/dbraw/zinc/88/28/34/519882834.db2.gz QMPMNRSXXGCVTA-NRFANRHFSA-N 0 0 459.612 4.092 50 0 JIAARN CCOCCCNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1ccccc1F ZINC000033265413 519893778 /nfs/dbraw/zinc/89/37/78/519893778.db2.gz NZAYXNORESKLQT-JOCHJYFZSA-N 0 0 455.555 4.040 50 0 JIAARN CCCNC(=O)c1ccc2c(c1)nc(SCc1cccc(F)c1)n(C[C@H]1CCCO1)c2=O ZINC000033269170 519900837 /nfs/dbraw/zinc/90/08/37/519900837.db2.gz NQXGECIGDNSVET-LJQANCHMSA-N 0 0 455.555 4.147 50 0 JIAARN CCNC(=O)c1coc(COc2ccc3c(c2)[C@H](c2cccc(C)c2)N(C(=O)C2CC2)CC3)n1 ZINC000037282207 519901722 /nfs/dbraw/zinc/90/17/22/519901722.db2.gz LWESSWQUVUOEOV-VWLOTQADSA-N 0 0 459.546 4.196 50 0 JIAARN CC(C)n1c(=O)c2sc(N3CCCCC3)nc2nc1SCC(=O)NCc1ccccc1Cl ZINC000065319568 519920355 /nfs/dbraw/zinc/92/03/55/519920355.db2.gz PZNKMGXSNFXKAZ-UHFFFAOYSA-N 0 0 492.070 4.486 50 0 JIAARN CC(C)n1cnc2nc(COc3ccccc3NC(=O)Nc3cccc(Cl)c3)cc(=O)n21 ZINC000021800833 520052300 /nfs/dbraw/zinc/05/23/00/520052300.db2.gz HWKPECNWLMXSPT-UHFFFAOYSA-N 0 0 452.902 4.348 50 0 JIAARN CCCCCCOc1ccccc1/C=c1\sc2nc([C@@H]3COc4ccccc4O3)nn2c1=O ZINC000016742280 520108322 /nfs/dbraw/zinc/10/83/22/520108322.db2.gz FZPNSAPXRYKGQF-FLVGQNKLSA-N 0 0 463.559 4.170 50 0 JIAARN CCCCCCn1c2ccccc2nc1SCC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000029006471 520138623 /nfs/dbraw/zinc/13/86/23/520138623.db2.gz URJAEKHRKHJQTL-GOSISDBHSA-N 0 0 489.667 4.212 50 0 JIAARN CCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccc2c(C)c(C(=O)OCC)oc2c1 ZINC000016681928 520256766 /nfs/dbraw/zinc/25/67/66/520256766.db2.gz OSUXRBLSLRMVJO-UHFFFAOYSA-N 0 0 470.503 4.257 50 0 JIAARN CCCCCn1c(=O)c2cc3c(cc2nc1SCc1nc(-c2ccc4c(c2)OCO4)no1)OCO3 ZINC000033279688 520332162 /nfs/dbraw/zinc/33/21/62/520332162.db2.gz QECRIZWKIWHMAY-UHFFFAOYSA-N 0 0 494.529 4.386 50 0 JIAARN CCCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1=O ZINC000064998978 520333430 /nfs/dbraw/zinc/33/34/30/520333430.db2.gz AJADQUYSYPHSKY-UHFFFAOYSA-N 0 0 474.439 4.350 50 0 JIAARN CCCOc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(OCC)cc4)C3)o2)cc1 ZINC000033291118 520338231 /nfs/dbraw/zinc/33/82/31/520338231.db2.gz IMTXCFDZPYSFPB-QGZVFWFLSA-N 0 0 450.495 4.030 50 0 JIAARN CCCOc1ccc(CN(C(=O)c2coc3c(C)cc(C)cc3c2=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027748899 520345303 /nfs/dbraw/zinc/34/53/03/520345303.db2.gz WSTBMJJUNKRPAS-HXUWFJFHSA-N 0 0 483.586 4.028 50 0 JIAARN CCOC(=O)/C=C\C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000033466865 520403533 /nfs/dbraw/zinc/40/35/33/520403533.db2.gz UURHIYBPTCUJMU-KHPPLWFESA-N 0 0 470.519 4.168 50 0 JIAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 ZINC000008872560 520431202 /nfs/dbraw/zinc/43/12/02/520431202.db2.gz URPKNJQSVYWJJO-UHFFFAOYSA-N 0 0 457.577 4.375 50 0 JIAARN CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)N(Cc3ccco3)C3CCCC3)cc21 ZINC000033129808 520463362 /nfs/dbraw/zinc/46/33/62/520463362.db2.gz OBJFJVAJUXTKMI-UHFFFAOYSA-N 0 0 485.650 4.133 50 0 JIAARN CCCCN(CC)C(=O)Cn1c2sc3c(c2c(=O)n(-c2ccc(OCC)cc2)c1=O)CCCC3 ZINC000008593202 520464091 /nfs/dbraw/zinc/46/40/91/520464091.db2.gz BROWTEYTNHZZLF-UHFFFAOYSA-N 0 0 483.634 4.140 50 0 JIAARN CCN(CC)C(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 ZINC000002179517 520479366 /nfs/dbraw/zinc/47/93/66/520479366.db2.gz AKBRSZJEPDZUDI-UHFFFAOYSA-N 0 0 473.820 4.162 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000002920286 520488685 /nfs/dbraw/zinc/48/86/85/520488685.db2.gz GIRGRMHOCDMRQL-SJJVXOANSA-N 0 0 498.604 4.269 50 0 JIAARN CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000044803767 520497739 /nfs/dbraw/zinc/49/77/39/520497739.db2.gz JFLRIRFTCPKFHZ-FQEVSTJZSA-N 0 0 477.584 4.123 50 0 JIAARN CCOC(=O)C1=C(COc2cccc(C(F)(F)F)c2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000036083513 520525233 /nfs/dbraw/zinc/52/52/33/520525233.db2.gz UCYKRBJTDHHSRN-LJQANCHMSA-N 0 0 452.404 4.437 50 0 JIAARN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)CC[C@]2(Cc3ccc(-c4ccccc4)cc3)CCC(=O)N2)C1 ZINC000014998063 520526843 /nfs/dbraw/zinc/52/68/43/520526843.db2.gz UXLXBDYOJYCTLI-VIZCGCQYSA-N 0 0 489.660 4.432 50 0 JIAARN CCOC(=O)C1CCN(C(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(C)c(C)c2)CC1 ZINC000067690008 520560971 /nfs/dbraw/zinc/56/09/71/520560971.db2.gz OBMPONNVGGEZFX-UHFFFAOYSA-N 0 0 499.658 4.017 50 0 JIAARN CCOC(=O)C1CCN(C(=O)Cc2ccc(N(Cc3ccccc3)C(=O)c3ccco3)cc2)CC1 ZINC000037557415 520563151 /nfs/dbraw/zinc/56/31/51/520563151.db2.gz AFPMTHCCEUMGEN-UHFFFAOYSA-N 0 0 474.557 4.471 50 0 JIAARN CCCSCCCN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021860814 520565243 /nfs/dbraw/zinc/56/52/43/520565243.db2.gz NABKJWXBICNKOY-BRVOVERQSA-N 0 0 456.656 4.479 50 0 JIAARN CCCSc1ncc(Cl)c(C(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000008612115 520567436 /nfs/dbraw/zinc/56/74/36/520567436.db2.gz PQTOGIOSIDEHEV-OAHLLOKOSA-N 0 0 474.435 4.115 50 0 JIAARN CCOC(=O)C1CCN(C(=O)c2c(=O)n(-c3ccc(Cl)cc3)cc3c2CC(C)(C)CC3=O)CC1 ZINC000065000848 520569635 /nfs/dbraw/zinc/56/96/35/520569635.db2.gz DXKCLZGFLRIDFK-UHFFFAOYSA-N 0 0 484.980 4.061 50 0 JIAARN CCCSc1ncc(Cl)c(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(OC)cc2)n1 ZINC000041156917 520570535 /nfs/dbraw/zinc/57/05/35/520570535.db2.gz KDIJVDMVQWZJBV-MRXNPFEDSA-N 0 0 469.032 4.131 50 0 JIAARN CCOC(=O)C1CCN(C(=O)c2coc(CN(Cc3ccc(OCC)cc3)[C@H](C)CC)n2)CC1 ZINC000036063844 520571101 /nfs/dbraw/zinc/57/11/01/520571101.db2.gz GEAMLXQGJZUCLW-LJQANCHMSA-N 0 0 471.598 4.289 50 0 JIAARN CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3nc(-c4cccc(Cl)c4)no3)sc2C)CC1 ZINC000046141442 520580507 /nfs/dbraw/zinc/58/05/07/520580507.db2.gz HDYKPAVGNMJFEW-UHFFFAOYSA-N 0 0 496.010 4.391 50 0 JIAARN CCO[C@H]1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O ZINC000004654789 520589388 /nfs/dbraw/zinc/58/93/88/520589388.db2.gz ULLNJSBQMBKOJH-JPHCZMGXSA-N 0 0 478.585 4.496 50 0 in-man JIAARN CCCCNC(=O)CSc1nc2c3cccnc3sc2c(=O)n1Cc1ccc(C)cc1 ZINC000045923334 520625843 /nfs/dbraw/zinc/62/58/43/520625843.db2.gz AZAQMFYCNQKTKQ-UHFFFAOYSA-N 0 0 452.605 4.371 50 0 JIAARN CCCCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033088702 520687028 /nfs/dbraw/zinc/68/70/28/520687028.db2.gz CTVKTBWCAYVOCI-UHFFFAOYSA-N 0 0 463.559 4.274 50 0 JIAARN CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000033265083 520687736 /nfs/dbraw/zinc/68/77/36/520687736.db2.gz BINUWXQFHNMKDZ-UHFFFAOYSA-N 0 0 498.605 4.159 50 0 JIAARN CCCCOCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2OCC)C1=O ZINC000008918228 520745339 /nfs/dbraw/zinc/74/53/39/520745339.db2.gz RMECGAJLQSXPKZ-CUBQBAPOSA-N 0 0 489.616 4.458 50 0 biogenic JIAARN CCOc1cc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2C)n3C)ccc1OC ZINC000046017032 520783319 /nfs/dbraw/zinc/78/33/19/520783319.db2.gz VOYQNYGZIPAICZ-GOSISDBHSA-N 0 0 465.575 4.262 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)OCc2ccc(Br)cc2)cc1 ZINC000006173288 520787192 /nfs/dbraw/zinc/78/71/92/520787192.db2.gz QPNJSMQBPBTBSJ-ZROIWOOFSA-N 0 0 452.370 4.236 50 0 JIAARN CCOc1cc2c(cc1/C=C/C(=O)N1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)O[C@H](C)C2 ZINC000014240930 520788844 /nfs/dbraw/zinc/78/88/44/520788844.db2.gz QVHZKNRKSARAIV-BBOMDTFKSA-N 0 0 478.545 4.028 50 0 JIAARN CCOc1cc2c(cc1NC(=O)CCn1cnc3sc4c(c3c1=O)CCCC4)O[C@@H](C)C2 ZINC000016303280 520793972 /nfs/dbraw/zinc/79/39/72/520793972.db2.gz BYOSSLZYUJUAKO-AWEZNQCLSA-N 0 0 453.564 4.088 50 0 JIAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)Nc3cccnc3)c3ccccc3C(=O)N1CC2 ZINC000008661626 520800175 /nfs/dbraw/zinc/80/01/75/520800175.db2.gz ASSCZXVYBYVRJA-JWQCQUIFSA-N 0 0 457.530 4.355 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(F)cc2Cl)c1 ZINC000009245181 520800416 /nfs/dbraw/zinc/80/04/16/520800416.db2.gz LDBFSSFYCRQJDH-UHFFFAOYSA-N 0 0 453.967 4.362 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(C(F)(F)F)nc2C)c1 ZINC000024557451 520801186 /nfs/dbraw/zinc/80/11/86/520801186.db2.gz ODJITKVATJTFER-UHFFFAOYSA-N 0 0 484.544 4.292 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 ZINC000016399717 520805205 /nfs/dbraw/zinc/80/52/05/520805205.db2.gz GAVKYLHHQWNSOJ-INIZCTEOSA-N 0 0 469.003 4.402 50 0 JIAARN CCOc1ccc(-c2cc(NC(=O)COCc3cc(-c4ccc5c(c4)OCO5)on3)on2)cc1 ZINC000021868273 520806699 /nfs/dbraw/zinc/80/66/99/520806699.db2.gz BZWHZYRAWNJYLJ-UHFFFAOYSA-N 0 0 463.446 4.279 50 0 JIAARN CCOc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(CCCOC(C)C)C3=O)cc1 ZINC000021853329 520809817 /nfs/dbraw/zinc/80/98/17/520809817.db2.gz ZMQXQWAIOBWUCK-MUUNZHRXSA-N 0 0 496.652 4.427 50 0 JIAARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccnc2)n2nc(SCc3ccccc3)nc2N1 ZINC000008661124 520813146 /nfs/dbraw/zinc/81/31/46/520813146.db2.gz BEICAFDIQNGGON-OAQYLSRUSA-N 0 0 455.547 4.288 50 0 JIAARN CCOC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1NC(=O)Nc1ccc(Cl)cc1 ZINC000002181054 520814373 /nfs/dbraw/zinc/81/43/73/520814373.db2.gz CEAMOGGESKFESA-UHFFFAOYSA-N 0 0 466.972 4.159 50 0 JIAARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)n2c(=O)/c(=C/c3ccc(C(C)C)cc3)sc2=N1 ZINC000016699858 520815269 /nfs/dbraw/zinc/81/52/69/520815269.db2.gz JVLGGVZVCGIWGH-VLOXRPPESA-N 0 0 466.628 4.372 50 0 JIAARN CCOc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(F)cc4)c3C)c(C)o2)cc1OC ZINC000012415818 520817064 /nfs/dbraw/zinc/81/70/64/520817064.db2.gz RYYZITJOTCYBAH-UHFFFAOYSA-N 0 0 466.469 4.443 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3ccc(OC)c(F)c3)o2)c1 ZINC000002663037 520817690 /nfs/dbraw/zinc/81/76/90/520817690.db2.gz DBQVOPNPDHHCSF-UHFFFAOYSA-N 0 0 451.545 4.207 50 0 JIAARN CCOc1ccc(-c2noc(CSc3nc4cc5c(cc4c(=O)n3C3CC3)OCO5)n2)cc1OC ZINC000033279791 520826900 /nfs/dbraw/zinc/82/69/00/520826900.db2.gz FBSIGTFHTFADDY-UHFFFAOYSA-N 0 0 494.529 4.210 50 0 JIAARN CCOc1ccc(-c2noc(Cn3c4ccccc4c(=O)n(-c4cc(C)cc(C)c4)c3=O)n2)cc1OC ZINC000038487297 520829119 /nfs/dbraw/zinc/82/91/19/520829119.db2.gz DLSIHVHCNFTYQT-UHFFFAOYSA-N 0 0 498.539 4.275 50 0 JIAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nnc2-c2cccs2)cc1 ZINC000019824958 520832471 /nfs/dbraw/zinc/83/24/71/520832471.db2.gz YAALDMJWTZCYFA-UHFFFAOYSA-N 0 0 479.587 4.224 50 0 JIAARN CCOc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2S[C@@H](CC)C(=O)OC)cc1 ZINC000002706364 520832972 /nfs/dbraw/zinc/83/29/72/520832972.db2.gz ATMJJGMCNBCRMP-SFHVURJKSA-N 0 0 473.624 4.409 50 0 JIAARN CCOc1ccc(-n2ccn3c(C[C@@H](C)CC(=O)Nc4ccc(C)c(Cl)c4)nnc3c2=O)cc1 ZINC000046005687 520836532 /nfs/dbraw/zinc/83/65/32/520836532.db2.gz SYVVUWDNLPZMKU-MRXNPFEDSA-N 0 0 479.968 4.448 50 0 JIAARN CCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCc4cccc(OC)c4)s3)c2C)cc1 ZINC000038487652 520841118 /nfs/dbraw/zinc/84/11/18/520841118.db2.gz DNPSHTJSNKJHDJ-UHFFFAOYSA-N 0 0 463.563 4.345 50 0 JIAARN CCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCc4ccc(F)cc4)s3)c2C)cc1 ZINC000064998636 520841142 /nfs/dbraw/zinc/84/11/42/520841142.db2.gz IBVQUBNRYFLVAL-UHFFFAOYSA-N 0 0 451.527 4.475 50 0 JIAARN CCOc1ccc(/C=c2\sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1OCC ZINC000013645816 520857365 /nfs/dbraw/zinc/85/73/65/520857365.db2.gz JQAVWIQHJHVFSF-ZDLGFXPLSA-N 0 0 462.358 4.470 50 0 JIAARN CC1=NS(=O)(=O)c2cc(C(=O)Nc3cccc(Br)c3)ccc2N1CC(C)C ZINC000015867702 520900725 /nfs/dbraw/zinc/90/07/25/520900725.db2.gz CFECWARAHQQNDJ-UHFFFAOYSA-N 0 0 450.358 4.285 50 0 JIAARN CCOc1ccc(CCNC(=O)C[S@](=O)CCCOc2ccc(Cl)cc2)cc1OCC ZINC000024829311 520950530 /nfs/dbraw/zinc/95/05/30/520950530.db2.gz VTPLKXRCVBKKGR-HKBQPEDESA-N 0 0 468.015 4.014 50 0 JIAARN CCOC(=O)N1CCc2c(nc(-c3ccc(F)cc3)n(CC(=O)Nc3cc(Cl)ccc3C)c2=O)C1 ZINC000035456847 520970613 /nfs/dbraw/zinc/97/06/13/520970613.db2.gz WOTHHSAGWAHJBH-UHFFFAOYSA-N 0 0 498.942 4.165 50 0 JIAARN CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1OCC ZINC000035397964 520993344 /nfs/dbraw/zinc/99/33/44/520993344.db2.gz HVAVXPNREXSBJH-JOCHJYFZSA-N 0 0 460.578 4.474 50 0 JIAARN CCOc1ccc(N(CC(=O)NCc2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000014186000 521023062 /nfs/dbraw/zinc/02/30/62/521023062.db2.gz XLMNGNZMZOKAOC-UHFFFAOYSA-N 0 0 488.993 4.259 50 0 JIAARN CCOc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021781159 521039321 /nfs/dbraw/zinc/03/93/21/521039321.db2.gz FHUBATCTRUOUGW-HHHXNRCGSA-N 0 0 460.578 4.315 50 0 JIAARN CCOc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(Br)cc4)o3)CC2=O)cc1 ZINC000033291049 521042823 /nfs/dbraw/zinc/04/28/23/521042823.db2.gz CUADJWRYFIMIII-AWEZNQCLSA-N 0 0 471.311 4.004 50 0 JIAARN CCOc1ccc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1OCC ZINC000021763176 521065821 /nfs/dbraw/zinc/06/58/21/521065821.db2.gz GZJIFCHGPWRNDC-UHFFFAOYSA-N 0 0 495.498 4.296 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3cccc(Cl)c3)n2C)cc1 ZINC000016474202 521070083 /nfs/dbraw/zinc/07/00/83/521070083.db2.gz ZHBGVEQODLHMRG-AWEZNQCLSA-N 0 0 473.986 4.089 50 0 JIAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2cccnc2)cc1 ZINC000008591897 521072272 /nfs/dbraw/zinc/07/22/72/521072272.db2.gz CIAGFWCMGGFBQB-QHCPKHFHSA-N 0 0 458.518 4.155 50 0 JIAARN CCOc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(Br)cc4)no3)c2=O)cc1 ZINC000023126318 521076381 /nfs/dbraw/zinc/07/63/81/521076381.db2.gz RHKROKANWNOWMH-UHFFFAOYSA-N 0 0 495.333 4.365 50 0 JIAARN CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)Nc3cccc(F)c3)c3ccccc32)cc1 ZINC000064971636 521082326 /nfs/dbraw/zinc/08/23/26/521082326.db2.gz RSULRIDJJOUUTB-UHFFFAOYSA-N 0 0 462.481 4.248 50 0 JIAARN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000064930766 521085787 /nfs/dbraw/zinc/08/57/87/521085787.db2.gz AEFMFVZCWPMUCP-QGZVFWFLSA-N 0 0 481.534 4.287 50 0 JIAARN CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(CC)cc(=O)oc2c1C ZINC000002092136 521103696 /nfs/dbraw/zinc/10/36/96/521103696.db2.gz KHTLOKFHBBVEPZ-OAQYLSRUSA-N 0 0 471.575 4.415 50 0 biogenic JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(N(Cc3ccc(C)cc3)C(=O)C3CC3)cc2)C1 ZINC000037557407 521104582 /nfs/dbraw/zinc/10/45/82/521104582.db2.gz CZAJRCITNCKHKB-XMMPIXPASA-N 0 0 462.590 4.282 50 0 JIAARN CCOc1ccc(NC(=O)c2nnn(Cc3nc(-c4ccc(OC)cc4OC)oc3C)c2C)cc1 ZINC000064967529 521121210 /nfs/dbraw/zinc/12/12/10/521121210.db2.gz XWNZRZVJGIXTNS-UHFFFAOYSA-N 0 0 477.521 4.266 50 0 JIAARN CCC(=O)N1CCS[C@]12c1cc(OC)ccc1N(Cc1ccc(C(F)(F)F)cc1)C2=O ZINC000036165841 521126119 /nfs/dbraw/zinc/12/61/19/521126119.db2.gz DYBFRVQPTPZXCD-NRFANRHFSA-N 0 0 450.482 4.399 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)N(CC(C)C)CC(C)C)c(O)c3c2)cc1 ZINC000006181511 521133176 /nfs/dbraw/zinc/13/31/76/521133176.db2.gz QKMZHCBGUYFVJC-UHFFFAOYSA-N 0 0 499.633 4.482 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccoc3)c2)cc1Br ZINC000016231393 521133640 /nfs/dbraw/zinc/13/36/40/521133640.db2.gz RDJVDVHXNSXZLF-UHFFFAOYSA-N 0 0 465.325 4.494 50 0 JIAARN CCOc1ccc(Nc2ncccc2C(=O)OCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000014704765 521141793 /nfs/dbraw/zinc/14/17/93/521141793.db2.gz OOZXAPLIEDNSLL-UHFFFAOYSA-N 0 0 485.544 4.225 50 0 JIAARN CCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3ccccc3)n2CCOC)c1 ZINC000012353230 521167010 /nfs/dbraw/zinc/16/70/10/521167010.db2.gz USICXSCRUVYIHG-UHFFFAOYSA-N 0 0 456.568 4.120 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)Cc2ccco2)cc1 ZINC000002645542 521189034 /nfs/dbraw/zinc/18/90/34/521189034.db2.gz WQIZMXVHZVKQIH-UHFFFAOYSA-N 0 0 498.479 4.407 50 0 JIAARN CCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCc2cccs2)CC1 ZINC000033069357 521192927 /nfs/dbraw/zinc/19/29/27/521192927.db2.gz UDTAILXBMPUVIR-UHFFFAOYSA-N 0 0 451.596 4.124 50 0 JIAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000033297962 521195197 /nfs/dbraw/zinc/19/51/97/521195197.db2.gz AAGRJJXJQGFPOE-AUWJEWJLSA-N 0 0 469.519 4.089 50 0 JIAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2)n3C)cc1OCC ZINC000046016937 521241168 /nfs/dbraw/zinc/24/11/68/521241168.db2.gz FGNAUXGHDBCRMO-SFHVURJKSA-N 0 0 465.575 4.344 50 0 JIAARN CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1OC ZINC000008606641 521247767 /nfs/dbraw/zinc/24/77/67/521247767.db2.gz NYTZOTUWNPAAKH-RUZDIDTESA-N 0 0 456.502 4.330 50 0 JIAARN CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)cc1OC ZINC000008614088 521271992 /nfs/dbraw/zinc/27/19/92/521271992.db2.gz BXXLPTMPJDQZOE-QGZVFWFLSA-N 0 0 451.548 4.252 50 0 JIAARN CCOC(=O)[C@H]1CCCCN1Cc1cccc(OC2CCN(C(=O)c3cccs3)CC2)c1 ZINC000014961077 521287227 /nfs/dbraw/zinc/28/72/27/521287227.db2.gz AGEGMJLEYCXPLS-JOCHJYFZSA-N 0 0 456.608 4.349 50 0 JIAARN CCCCc1nc(C)c(C(=O)N2CCN([C@H](C(=O)OC)c3ccc(Cl)cc3)CC2)s1 ZINC000046747670 521290017 /nfs/dbraw/zinc/29/00/17/521290017.db2.gz VOMINOOHDYKGRO-IBGZPJMESA-N 0 0 450.004 4.120 50 0 JIAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cc(OC)c(O)c(OC)c3)sc2c1 ZINC000033088245 521299434 /nfs/dbraw/zinc/29/94/34/521299434.db2.gz VVKCSMISPVATSS-HNNXBMFYSA-N 0 0 480.546 4.386 50 0 JIAARN CCOC(=O)[C@H]1CCCN(c2c3cc(OC)ccc3ncc2S(=O)(=O)c2ccc(CC)cc2)C1 ZINC000022573999 521302692 /nfs/dbraw/zinc/30/26/92/521302692.db2.gz PUNZGCNOQQJZBO-IBGZPJMESA-N 0 0 482.602 4.418 50 0 JIAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000023955240 521324707 /nfs/dbraw/zinc/32/47/07/521324707.db2.gz SJXWUXIQNDYITF-UHFFFAOYSA-N 0 0 454.548 4.167 50 0 JIAARN CCOc1cccc(CNC(=O)C2CCN(c3ncnc4nn(-c5ccc(C)cc5)cc43)CC2)c1 ZINC000033273720 521347540 /nfs/dbraw/zinc/34/75/40/521347540.db2.gz FXTVCAVEBKNJFI-UHFFFAOYSA-N 0 0 470.577 4.055 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2cccc(F)c2)c1C ZINC000085712878 521366154 /nfs/dbraw/zinc/36/61/54/521366154.db2.gz SDZNWSLQTSMDCF-UHFFFAOYSA-N 0 0 488.537 4.067 50 0 JIAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000022828046 521370725 /nfs/dbraw/zinc/37/07/25/521370725.db2.gz JESCMELLPZCMNK-KBPBESRZSA-N 0 0 481.412 4.402 50 0 JIAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CSc1nnnn1-c1ccccc1 ZINC000001896045 521373470 /nfs/dbraw/zinc/37/34/70/521373470.db2.gz RKGYWYNISNLIQI-UHFFFAOYSA-N 0 0 495.586 4.307 50 0 JIAARN CCCc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCc2csc(-c3ccccc3)n2)cc1 ZINC000033282303 521407848 /nfs/dbraw/zinc/40/78/48/521407848.db2.gz VNLMXWSXFKHUPS-HSZRJFAPSA-N 0 0 483.659 4.275 50 0 JIAARN CCN(Cc1ccncc1)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1COC ZINC000012456926 521419902 /nfs/dbraw/zinc/41/99/02/521419902.db2.gz XUBWIRLEPOVPKR-UHFFFAOYSA-N 0 0 468.561 4.022 50 0 JIAARN CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000016741652 521426167 /nfs/dbraw/zinc/42/61/67/521426167.db2.gz ZROYOZCACPAHDT-VWLOTQADSA-N 0 0 476.573 4.076 50 0 JIAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)c1cc2c(nc3ccccn3c2=O)s1 ZINC000002630497 521431133 /nfs/dbraw/zinc/43/11/33/521431133.db2.gz LKHVOHBZOWOUJV-UHFFFAOYSA-N 0 0 499.570 4.066 50 0 JIAARN CCOc1ccccc1C(=O)N1CSC[C@@H]1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000021708368 521454033 /nfs/dbraw/zinc/45/40/33/521454033.db2.gz WTXVPUPATWXEFX-LJQANCHMSA-N 0 0 453.589 4.040 50 0 JIAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCC(C)CC1)N(c1cccc(Cl)c1C)C2=O ZINC000021878763 521455502 /nfs/dbraw/zinc/45/55/02/521455502.db2.gz PPJRIWYAASOMFI-NJMNTPMDSA-N 0 0 487.000 4.136 50 0 JIAARN CCOc1ccccc1C(=O)Nc1cc2c(cc1S(=O)(=O)c1ccccc1)n(CC)c(=O)n2CC ZINC000046145883 521462937 /nfs/dbraw/zinc/46/29/37/521462937.db2.gz KSZWDVIEDGTTRB-UHFFFAOYSA-N 0 0 493.585 4.327 50 0 JIAARN CCOc1ccccc1C(=O)Nc1cc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)ccc1Cl ZINC000041077245 521463697 /nfs/dbraw/zinc/46/36/97/521463697.db2.gz YCPPNVZRHXJGAB-UHFFFAOYSA-N 0 0 481.892 4.257 50 0 JIAARN C=C1C(N2CCC(C(=O)NCc3ccccc3OCC)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000008603276 521487039 /nfs/dbraw/zinc/48/70/39/521487039.db2.gz FYKJEFIYJRJJOJ-UHFFFAOYSA-N 0 0 495.645 4.203 50 0 JIAARN CCOc1ccccc1CNC(=O)C1CCN(c2ncnc3nn(-c4ccc(C)cc4)cc32)CC1 ZINC000033273714 521488556 /nfs/dbraw/zinc/48/85/56/521488556.db2.gz LXOWHDZOJVSRBJ-UHFFFAOYSA-N 0 0 470.577 4.055 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CCSCCC(=O)Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000008720875 521492722 /nfs/dbraw/zinc/49/27/22/521492722.db2.gz ASYISWKXMFDFDM-UHFFFAOYSA-N 0 0 472.563 4.131 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)COc2cc(C)c3c(C)nn(-c4cccc(F)c4)c3n2)cc1 ZINC000045990986 521497004 /nfs/dbraw/zinc/49/70/04/521497004.db2.gz XKPGVBQJUBKXRY-UHFFFAOYSA-N 0 0 462.481 4.371 50 0 JIAARN CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000022530982 521498949 /nfs/dbraw/zinc/49/89/49/521498949.db2.gz ISGWBQDIKWDRSB-UHFFFAOYSA-N 0 0 450.988 4.233 50 0 JIAARN CCOc1ccccc1CNC(=O)c1ccccc1CN1c2ccccc2C(=O)N2CCC[C@@H]2C1=O ZINC000035459557 521499492 /nfs/dbraw/zinc/49/94/92/521499492.db2.gz QAIHSCNAARPYAM-RUZDIDTESA-N 0 0 483.568 4.167 50 0 JIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc2ncc(C(=O)N(C)Cc3ccccc3)c(O)c2c1 ZINC000006181043 521500125 /nfs/dbraw/zinc/50/01/25/521500125.db2.gz RCROPFDMUIMQSF-UHFFFAOYSA-N 0 0 475.570 4.016 50 0 JIAARN CCOc1ccccc1CNC(=O)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)c1 ZINC000035459435 521500381 /nfs/dbraw/zinc/50/03/81/521500381.db2.gz BXNRLOHRMSBNPH-VWLOTQADSA-N 0 0 483.568 4.167 50 0 JIAARN CCOc1ccccc1Cn1c2nn(Cc3ccccc3Cl)c(=O)n2c2ccsc2c1=O ZINC000064946575 521509265 /nfs/dbraw/zinc/50/92/65/521509265.db2.gz UMNUDWZXANYSML-UHFFFAOYSA-N 0 0 466.950 4.021 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000033128183 521510400 /nfs/dbraw/zinc/51/04/00/521510400.db2.gz UPEIYYWOSIOADF-HNNXBMFYSA-N 0 0 471.966 4.490 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1ncnc2c3cc(OC)c(OC)cc3[nH]c21 ZINC000033172758 521551977 /nfs/dbraw/zinc/55/19/77/521551977.db2.gz WDWCZKWTDNOJKG-UHFFFAOYSA-N 0 0 466.519 4.036 50 0 JIAARN CCOc1ccccc1[C@H]1Nc2ccc(Br)cc2C(=O)N1NC(=O)c1ccncc1 ZINC000002748771 521589968 /nfs/dbraw/zinc/58/99/68/521589968.db2.gz FBBHJIBKSGKSNC-FQEVSTJZSA-N 0 0 467.323 4.154 50 0 JIAARN CCCc1noc(Cn2cnc3c4cc(C)ccc4n(CC(=O)Nc4ccccc4CC)c3c2=O)n1 ZINC000033281181 521590969 /nfs/dbraw/zinc/59/09/69/521590969.db2.gz KGYWVKPFOZHQNF-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/60/46/32/525604632.db2.gz IXNFEOWDLGDLGI-UHFFFAOYSA-N 0 0 450.564 4.288 50 0 JIAARN Cc1c(C(=O)NCC2(c3ccccc3)CCOCC2)sc2ncnc(NC[C@H]3CCCO3)c12 ZINC000014885243 525606778 /nfs/dbraw/zinc/60/67/78/525606778.db2.gz DDZQIQFIMJQEKH-LJQANCHMSA-N 0 0 466.607 4.069 50 0 JIAARN COc1ccc2c(c1)oc(=O)cc2-c1cc2ccc(OCC(=O)OC(C)(C)C)cc2oc1=O ZINC000002131745 525608333 /nfs/dbraw/zinc/60/83/33/525608333.db2.gz YBIGDMRVGXBIBY-UHFFFAOYSA-N 0 0 450.443 4.296 50 0 biogenic JIAARN Cc1c(C(=O)NCc2ccc(F)cc2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12 ZINC000002931397 525627808 /nfs/dbraw/zinc/62/78/08/525627808.db2.gz JGQPOIRCYQGBNT-UHFFFAOYSA-N 0 0 461.566 4.395 50 0 JIAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cn2)cc1C ZINC000064942605 525632277 /nfs/dbraw/zinc/63/22/77/525632277.db2.gz MHGLVRZNHYEJMP-UHFFFAOYSA-N 0 0 469.994 4.147 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC[C@@H]1CCCO1)N(CCc1ccc(Cl)cc1)C3=O ZINC000021859843 525643190 /nfs/dbraw/zinc/64/31/90/525643190.db2.gz FRYIOAXDKYIXHT-CUNXSJBXSA-N 0 0 496.007 4.056 50 0 JIAARN Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1CC(=O)NCc1ccccc1Cl ZINC000071327090 525651449 /nfs/dbraw/zinc/65/14/49/525651449.db2.gz BUXWOTUIKQXZFG-UHFFFAOYSA-N 0 0 452.729 4.115 50 0 JIAARN Cc1c(C(=O)Nc2ccc(Br)c(C)c2)nnn1CC(=O)Nc1cccc(Cl)c1 ZINC000067322284 525653448 /nfs/dbraw/zinc/65/34/48/525653448.db2.gz HIIIDLUUMYNZCH-UHFFFAOYSA-N 0 0 462.735 4.202 50 0 JIAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4ccc(Cl)cc4)c3C)cc(=O)n2o1 ZINC000041089615 525672751 /nfs/dbraw/zinc/67/27/51/525672751.db2.gz FKQORDLROYQYRJ-UHFFFAOYSA-N 0 0 451.866 4.167 50 0 JIAARN COc1cccc(-c2cc3c(N4CCC[C@H](C(=O)N[C@@H](C)c5ccccc5)C4)nccn3n2)c1 ZINC000033266472 525709494 /nfs/dbraw/zinc/70/94/94/525709494.db2.gz SGPPVEJWHZLEJW-UGKGYDQZSA-N 0 0 455.562 4.499 50 0 JIAARN COc1cccc(-c2cc3c(c(OC)c2)OCCN(S(=O)(=O)c2ccc(Cl)s2)C3)n1 ZINC000014974735 525710669 /nfs/dbraw/zinc/71/06/69/525710669.db2.gz BANZMLONGLTOHG-UHFFFAOYSA-N 0 0 466.968 4.064 50 0 JIAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2cccc(SC)c2)c(C)n3C)c1 ZINC000035448547 525711313 /nfs/dbraw/zinc/71/13/13/525711313.db2.gz UKPOTNRNPHFGHE-UHFFFAOYSA-N 0 0 462.575 4.310 50 0 JIAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)c(C)c1 ZINC000033280355 525716550 /nfs/dbraw/zinc/71/65/50/525716550.db2.gz ZTHWNHMUKURZOZ-JOCHJYFZSA-N 0 0 499.659 4.322 50 0 JIAARN COc1cccc(-c2nc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)c(C)o2)c1OC ZINC000064977419 525726286 /nfs/dbraw/zinc/72/62/86/525726286.db2.gz VFFOSMITFSNSAE-UHFFFAOYSA-N 0 0 460.465 4.331 50 0 JIAARN Cc1ccc(-c2cc(C(=O)Nc3cc(-c4ccccc4)nn3[C@@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000041154904 525726971 /nfs/dbraw/zinc/72/69/71/525726971.db2.gz SKKFXEVPNPIDNT-LJQANCHMSA-N 0 0 462.531 4.125 50 0 JIAARN COc1cccc(-c2nc(Cn3c(=O)c4c(C)cc(C)nc4n(-c4ccccc4)c3=O)c(C)o2)c1OC ZINC000012446381 525727225 /nfs/dbraw/zinc/72/72/25/525727225.db2.gz XVDXUIMGSZJBJU-UHFFFAOYSA-N 0 0 498.539 4.193 50 0 JIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000033325632 525727696 /nfs/dbraw/zinc/72/76/96/525727696.db2.gz IGESZCOYONSHLO-SFHVURJKSA-N 0 0 474.380 4.233 50 0 JIAARN Cc1ccc(-c2cc3c(N4CCC[C@H](C(=O)NCc5ccc6c(c5)OCO6)C4)nccn3n2)c(C)c1 ZINC000064958816 525738767 /nfs/dbraw/zinc/73/87/67/525738767.db2.gz DRXMUMVHKOYSPQ-NRFANRHFSA-N 0 0 483.572 4.275 50 0 JIAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4ccccc4)CC3)nn2)cc1 ZINC000036069454 525755395 /nfs/dbraw/zinc/75/53/95/525755395.db2.gz OJTUKDCGWPSITP-UHFFFAOYSA-N 0 0 495.583 4.036 50 0 JIAARN Cc1ccc(-c2ccc3nn(CC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c(=O)n3n2)cc1C ZINC000033309438 525756117 /nfs/dbraw/zinc/75/61/17/525756117.db2.gz OXQZKMLHPLIZBA-UHFFFAOYSA-N 0 0 475.858 4.486 50 0 JIAARN COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000013153044 525784889 /nfs/dbraw/zinc/78/48/89/525784889.db2.gz AJNYBWGJDCFVOJ-HDICACEKSA-N 0 0 489.355 4.417 50 0 JIAARN Cc1ccc(-c2csc3ncnc(SCC(=O)N4Cc5ccccc5C[C@@H]4C(N)=O)c23)cc1 ZINC000014239030 525787433 /nfs/dbraw/zinc/78/74/33/525787433.db2.gz ZHVFNQWSPQCEBH-HXUWFJFHSA-N 0 0 474.611 4.198 50 0 JIAARN COc1cccc(C(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)c1 ZINC000046122687 525800422 /nfs/dbraw/zinc/80/04/22/525800422.db2.gz OPPOXSZMLHOFRQ-OAHLLOKOSA-N 0 0 456.955 4.472 50 0 JIAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccccc1 ZINC000021853693 525803414 /nfs/dbraw/zinc/80/34/14/525803414.db2.gz YNKIIRIZMSUWBW-NDEPHWFRSA-N 0 0 450.542 4.281 50 0 JIAARN Cc1c(NC(=O)CCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000033294594 525834531 /nfs/dbraw/zinc/83/45/31/525834531.db2.gz LCGBLWYVPIJXKW-XMHGGMMESA-N 0 0 496.976 4.203 50 0 JIAARN COc1cccc(C(=O)c2cn(CC(=O)Nc3cccc(C)c3C)c3nc(C)ccc3c2=O)c1 ZINC000008599086 525840752 /nfs/dbraw/zinc/84/07/52/525840752.db2.gz RHZYLIZIVOVMNK-UHFFFAOYSA-N 0 0 455.514 4.200 50 0 JIAARN Cc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccccc4Br)c3)n2)cc1 ZINC000033293115 525869725 /nfs/dbraw/zinc/86/97/25/525869725.db2.gz MKAIEKPMCUVMIJ-UHFFFAOYSA-N 0 0 465.307 4.275 50 0 JIAARN Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)Nc5ccc(C)cc5Cl)nc34)n2)cc1 ZINC000033301218 525871211 /nfs/dbraw/zinc/87/12/11/525871211.db2.gz CJPUAYHXZYLRFH-UHFFFAOYSA-N 0 0 474.908 4.122 50 0 JIAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1 ZINC000014250904 525871790 /nfs/dbraw/zinc/87/17/90/525871790.db2.gz WHHORKDPXXQWJY-HSZRJFAPSA-N 0 0 468.966 4.101 50 0 JIAARN Cc1ccc(-c2noc(CSc3nc4cc5c(cc4c(=O)n3Cc3ccco3)OCO5)n2)cc1 ZINC000033130606 525881687 /nfs/dbraw/zinc/88/16/87/525881687.db2.gz HPVOWTGFYKGCKD-UHFFFAOYSA-N 0 0 474.498 4.417 50 0 JIAARN C[C@@]1(O)N(CCCCCCN2C(=O)OC3(CCCCC3)[C@]2(C)O)C(=O)OC12CCCCC2 ZINC000002491527 525887955 /nfs/dbraw/zinc/88/79/55/525887955.db2.gz CJNRTKUITDJABS-VXKWHMMOSA-N 0 0 452.592 4.274 50 0 JIAARN C[C@@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000012425148 525890086 /nfs/dbraw/zinc/89/00/86/525890086.db2.gz FWGOVFDDQBCDRX-FZKQIMNGSA-N 0 0 453.545 4.183 50 0 JIAARN C[C@@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000012425146 525890233 /nfs/dbraw/zinc/89/02/33/525890233.db2.gz FWGOVFDDQBCDRX-ACJLOTCBSA-N 0 0 453.545 4.183 50 0 JIAARN COc1cccc(CCN2C(=O)c3cccc(N4CCC[C@@H](C(=O)N5CCC[C@@H](C)C5)C4)c3C2=O)c1 ZINC000012243695 525892050 /nfs/dbraw/zinc/89/20/50/525892050.db2.gz ZSBKVMKMDDIVHE-IFMALSPDSA-N 0 0 489.616 4.009 50 0 JIAARN C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc21)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000016684604 525892983 /nfs/dbraw/zinc/89/29/83/525892983.db2.gz RJSXVWKJKJNQDZ-LLVKDONJSA-N 0 0 455.442 4.114 50 0 JIAARN Cc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4cccs4)cc3nc2N2CCCC2)cc1 ZINC000033251257 525894089 /nfs/dbraw/zinc/89/40/89/525894089.db2.gz NOUJHLUMZUSFBB-UHFFFAOYSA-N 0 0 458.587 4.328 50 0 JIAARN C[C@H](OC(=O)c1sccc1-n1cccc1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000022888465 525894480 /nfs/dbraw/zinc/89/44/80/525894480.db2.gz UHHLKYYRIUDYBW-LBPRGKRZSA-N 0 0 463.437 4.088 50 0 JIAARN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)cc1C ZINC000033280358 525910238 /nfs/dbraw/zinc/91/02/38/525910238.db2.gz UVDIPHRXDKMEGP-QFIPXVFZSA-N 0 0 499.659 4.322 50 0 JIAARN Cc1ccc(-n2nc(C(=O)N(C)C3CCCCC3)c(=O)n(Cc3ccccc3Cl)c2=O)cc1C ZINC000036086485 525925072 /nfs/dbraw/zinc/92/50/72/525925072.db2.gz VOMBVODFBBZWTF-UHFFFAOYSA-N 0 0 480.996 4.117 50 0 JIAARN COc1cccc(CN2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021851028 525928309 /nfs/dbraw/zinc/92/83/09/525928309.db2.gz HMDHQUXNVGBVPK-AREMUKBSSA-N 0 0 462.550 4.015 50 0 JIAARN COc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)c1OC ZINC000021858693 525928481 /nfs/dbraw/zinc/92/84/81/525928481.db2.gz WBCSZOQYYKKLJF-HHHXNRCGSA-N 0 0 463.578 4.236 50 0 JIAARN Cc1cn2c(nc(COC(=O)c3cccc(NC(=O)c4ccccc4Br)c3)cc2=O)s1 ZINC000015772075 525941266 /nfs/dbraw/zinc/94/12/66/525941266.db2.gz FMCCANMXIOGLSL-UHFFFAOYSA-N 0 0 498.358 4.436 50 0 JIAARN Cc1cn2c(nc(COC(=O)c3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc2=O)s1 ZINC000021633354 525941978 /nfs/dbraw/zinc/94/19/78/525941978.db2.gz BOCRBTYISIYSBL-UHFFFAOYSA-N 0 0 453.907 4.327 50 0 JIAARN Cc1c2cc(C)c(C)c(S(=O)(=O)N[C@@H](C)Cc3ccco3)c2oc1C(=O)N1CCCCC1 ZINC000065010725 525943612 /nfs/dbraw/zinc/94/36/12/525943612.db2.gz XVIVZHNKYDPKIC-INIZCTEOSA-N 0 0 458.580 4.487 50 0 JIAARN C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCCC2)s1 ZINC000065032115 525946510 /nfs/dbraw/zinc/94/65/10/525946510.db2.gz VSLZPJIHOIVXDA-HNNXBMFYSA-N 0 0 457.017 4.050 50 0 JIAARN CSc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(Cc3ccc(C)cc3)c4=O)n2)cc1 ZINC000038653768 525949026 /nfs/dbraw/zinc/94/90/26/525949026.db2.gz CWLLZZFLXNJCSF-UHFFFAOYSA-N 0 0 456.527 4.485 50 0 JIAARN COc1cccc(CN2c3ccccc3[C@]3(SCCN3C(=O)NCc3ccccc3)C2=O)c1 ZINC000036161950 525959531 /nfs/dbraw/zinc/95/95/31/525959531.db2.gz NTSCEQMUGYNZMH-SANMLTNESA-N 0 0 459.571 4.353 50 0 JIAARN COc1cccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)cc2C)c1OC ZINC000067217356 525973686 /nfs/dbraw/zinc/97/36/86/525973686.db2.gz SHSBQNXFQTXAQR-UHFFFAOYSA-N 0 0 495.626 4.490 50 0 JIAARN COc1cccc(CNC(=O)c2ccc(N3CCC(C)CC3)c(S(=O)(=O)N3CCC(C)CC3)c2)c1 ZINC000033053307 526005065 /nfs/dbraw/zinc/00/50/65/526005065.db2.gz QPTMSTPIJYRZMC-UHFFFAOYSA-N 0 0 499.677 4.282 50 0 JIAARN CSc1ccc(C[C@]2(CCC(=O)N(Cc3c(C)nn(C)c3C)C(C)C)CCC(=O)N2)cc1 ZINC000014994077 526009430 /nfs/dbraw/zinc/00/94/30/526009430.db2.gz LFHOHPUDUPBHJN-RUZDIDTESA-N 0 0 456.656 4.168 50 0 JIAARN Cc1ccc(C(=O)CN(c2nc3nc(C)c(Cl)c(C)n3n2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000021660099 526047608 /nfs/dbraw/zinc/04/76/08/526047608.db2.gz IBTAYCKCLBUZIJ-UHFFFAOYSA-N 0 0 483.981 4.090 50 0 JIAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000026025256 526048753 /nfs/dbraw/zinc/04/87/53/526048753.db2.gz VLBMOOZAUMQTCZ-UHFFFAOYSA-N 0 0 480.590 4.143 50 0 JIAARN Cc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(Br)cc4)ccn23)c(C)c1 ZINC000046047757 526050147 /nfs/dbraw/zinc/05/01/47/526050147.db2.gz 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CCOc1ccc(Nc2nc(Nc3ccc(OCC)cc3)nc(Sc3nc[nH]n3)n2)cc1 ZINC000000852667 553798839 /nfs/dbraw/zinc/79/88/39/553798839.db2.gz SATQADQYSWZHSV-UHFFFAOYSA-N 0 0 450.528 4.426 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000000857024 553800945 /nfs/dbraw/zinc/80/09/45/553800945.db2.gz AIJNCVPZDVPOGM-UHFFFAOYSA-N 0 0 456.995 4.198 50 0 JIAARN CCOc1ccccc1N(CC(=O)Nc1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000000869377 553808037 /nfs/dbraw/zinc/80/80/37/553808037.db2.gz DGPSMUJSKKIWKZ-UHFFFAOYSA-N 0 0 454.548 4.236 50 0 JIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 ZINC000000869800 553808161 /nfs/dbraw/zinc/80/81/61/553808161.db2.gz JPTLHVZKLHZRHL-UHFFFAOYSA-N 0 0 457.474 4.169 50 0 JIAARN COc1ccc(C(=O)N[C@@H](Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(Cl)(Cl)Cl)cc1 ZINC000000872944 553810771 /nfs/dbraw/zinc/81/07/71/553810771.db2.gz SUUFRVQWZSYOFV-HXUWFJFHSA-N 0 0 483.783 4.031 50 0 JIAARN NC(=O)c1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000881249 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ZINC000001154385 553917882 /nfs/dbraw/zinc/91/78/82/553917882.db2.gz DVNFSTJDHQGNBB-UNOMPAQXSA-N 0 0 450.516 4.378 50 0 JIAARN O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1cccc(Br)c1 ZINC000001154477 553917980 /nfs/dbraw/zinc/91/79/80/553917980.db2.gz PYPYIQZGPCUTEC-DEOSSOPVSA-N 0 0 450.332 4.499 50 0 JIAARN COc1ccc(C)cc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000001173310 553923303 /nfs/dbraw/zinc/92/33/03/553923303.db2.gz NEDCRIFQPRPLIR-UHFFFAOYSA-N 0 0 484.574 4.163 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)cc1 ZINC000001174757 553925559 /nfs/dbraw/zinc/92/55/59/553925559.db2.gz HUCVJXRUEXUFNW-UHFFFAOYSA-N 0 0 460.939 4.191 50 0 JIAARN CCc1ccccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000001176238 553926367 /nfs/dbraw/zinc/92/63/67/553926367.db2.gz LBOZDFQBOIBTQZ-UHFFFAOYSA-N 0 0 452.576 4.130 50 0 JIAARN O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccccc1I ZINC000001178399 553927350 /nfs/dbraw/zinc/92/73/50/553927350.db2.gz OWAVZRYGJYZEEL-UHFFFAOYSA-N 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COC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1ccccc1)C[C@H](C(C)(C)C)CC2 ZINC000002087949 554033175 /nfs/dbraw/zinc/03/31/75/554033175.db2.gz AEGKZAHNRXGIKY-CQSZACIVSA-N 0 0 485.635 4.392 50 0 JIAARN CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)cc(CC)c12 ZINC000002091782 554035090 /nfs/dbraw/zinc/03/50/90/554035090.db2.gz GEKGHUNSXUGLBQ-FQEVSTJZSA-N 0 0 471.575 4.415 50 0 biogenic JIAARN CCc1cc(=O)oc2cc(OC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002093240 554036829 /nfs/dbraw/zinc/03/68/29/554036829.db2.gz YNTBWIBTGJZAAA-DEOSSOPVSA-N 0 0 491.565 4.159 50 0 biogenic JIAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CC)NS(=O)(=O)c3ccc(C)cc3)c12 ZINC000002095772 554040181 /nfs/dbraw/zinc/04/01/81/554040181.db2.gz DKQNPZYCDSSKQR-IBGZPJMESA-N 0 0 457.548 4.025 50 0 biogenic JIAARN COc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000002099101 554042040 /nfs/dbraw/zinc/04/20/40/554042040.db2.gz VZZQGYIEVFTSFW-FZBZCGEPSA-N 0 0 484.593 4.028 50 0 biogenic,in-vitro JIAARN COc1cccc(CN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3cccc(OC)c3)C2=O)c1 ZINC000002103644 554044133 /nfs/dbraw/zinc/04/41/33/554044133.db2.gz WHNOEHMLGKVSNU-LSYYVWMOSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN COc1ccc(CN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3cccc(OC)c3)C2=O)cc1 ZINC000002107064 554046909 /nfs/dbraw/zinc/04/69/09/554046909.db2.gz JAAKTFVBDMNVRA-LSYYVWMOSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN COc1ccc(CCN2CC(=O)N3[C@H](c4ccccc4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1OC ZINC000002129668 554059637 /nfs/dbraw/zinc/05/96/37/554059637.db2.gz MAJGPSHLVDGFLL-PWUYWRBVSA-N 0 0 495.579 4.113 50 0 biogenic JIAARN CC(=O)c1ccc(OC(=O)[C@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@H]32)cc1 ZINC000002133692 554061182 /nfs/dbraw/zinc/06/11/82/554061182.db2.gz MGGJRQLYRZQVQO-KQWJERSKSA-N 0 0 472.534 4.040 50 0 biogenic JIAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3 ZINC000002148750 554068144 /nfs/dbraw/zinc/06/81/44/554068144.db2.gz UIVPMZPWCVSNAC-MZNJEOGPSA-N 0 0 483.586 4.197 50 0 JIAARN O=S(=O)(CS(=O)(=O)Oc1cc(Cl)cc(Cl)c1)Oc1cc(Cl)cc(Cl)c1 ZINC000002157289 554073166 /nfs/dbraw/zinc/07/31/66/554073166.db2.gz LGDLHANKJWYRJQ-UHFFFAOYSA-N 0 0 466.147 4.375 50 0 JIAARN O=C1CN(CCc2ccc(F)cc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N12 ZINC000002160480 554074055 /nfs/dbraw/zinc/07/40/55/554074055.db2.gz HNWQYSCMOQQDNP-IGKIAQTJSA-N 0 0 453.517 4.235 50 0 biogenic JIAARN CCOC(=O)c1c(N)n(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)c2nc3ccccc3nc21 ZINC000002199083 554090434 /nfs/dbraw/zinc/09/04/34/554090434.db2.gz LGHPWDKVZGFCAA-UHFFFAOYSA-N 0 0 487.541 4.133 50 0 JIAARN O=C(NCCc1ccccc1)c1cnn2c1N[C@H](c1ccc3c(c1)OCO3)C[C@@H]2C(F)(F)F ZINC000002208489 554093717 /nfs/dbraw/zinc/09/37/17/554093717.db2.gz STIQVRVDJHTPFE-FXAWDEMLSA-N 0 0 458.440 4.245 50 0 JIAARN CCOC(=O)c1c(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CC[C@H](C)C2 ZINC000002212652 554096061 /nfs/dbraw/zinc/09/60/61/554096061.db2.gz IBRGCPLKSGIWEZ-LBPRGKRZSA-N 0 0 492.619 4.202 50 0 JIAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3OC)nnc2-c2ccccn2)cc1 ZINC000002214481 554096941 /nfs/dbraw/zinc/09/69/41/554096941.db2.gz WYJFUTCSUKBTIS-UHFFFAOYSA-N 0 0 477.546 4.086 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@H]2Sc2nnc(N)s2)cc1 ZINC000002214735 554097374 /nfs/dbraw/zinc/09/73/74/554097374.db2.gz BXNNOWWWMMFQCK-RTBURBONSA-N 0 0 454.602 4.449 50 0 JIAARN CCN(CC)C(=O)COc1ccc(-c2nnc(Nc3ccc(C(N)=O)cc3)c3ccccc32)cc1 ZINC000002238941 554108691 /nfs/dbraw/zinc/10/86/91/554108691.db2.gz ZDJMQLYDMSYAKS-UHFFFAOYSA-N 0 0 469.545 4.387 50 0 JIAARN O=C(OCc1nc2ccccc2[n+]([O-])c1C(=O)c1ccccc1)c1ccccc1Br ZINC000002244731 554110549 /nfs/dbraw/zinc/11/05/49/554110549.db2.gz OBYFWGWMZNETDM-UHFFFAOYSA-N 0 0 463.287 4.219 50 0 JIAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@](C)(CC)OC3 ZINC000002262223 554122501 /nfs/dbraw/zinc/12/25/01/554122501.db2.gz JPYRGGKCVXFPJV-HSZRJFAPSA-N 0 0 458.605 4.403 50 0 JIAARN Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1Cc1ccc2c(c1)OCO2 ZINC000002262785 554123000 /nfs/dbraw/zinc/12/30/00/554123000.db2.gz DJVLSUNVANQACT-UHFFFAOYSA-N 0 0 469.476 4.013 50 0 JIAARN COc1cc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)ccc1OCc1ccccc1 ZINC000002263375 554123208 /nfs/dbraw/zinc/12/32/08/554123208.db2.gz ASKNRHICSNLNJD-HMAPJEAMSA-N 0 0 459.502 4.092 50 0 JIAARN O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)Nc1ccc(Br)cc1 ZINC000002263579 554123472 /nfs/dbraw/zinc/12/34/72/554123472.db2.gz VBMAZSUFIOOMJW-UHFFFAOYSA-N 0 0 470.352 4.475 50 0 JIAARN COC(=O)c1ccc(N[C@H](c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccc(OC)cc2)cc1 ZINC000002278713 554130020 /nfs/dbraw/zinc/13/00/20/554130020.db2.gz BZALASWFACOSOZ-VWLOTQADSA-N 0 0 457.530 4.481 50 0 JIAARN COc1ccc(-c2c(=O)n(OCc3ccc(C(C)(C)C)cc3)c3ccccc3[n+]2[O-])cc1OC ZINC000002315327 554145375 /nfs/dbraw/zinc/14/53/75/554145375.db2.gz UIZTZDYVSUFXNY-UHFFFAOYSA-N 0 0 460.530 4.245 50 0 JIAARN COc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1cc(OC)cc(OC)c1 ZINC000002334508 554153076 /nfs/dbraw/zinc/15/30/76/554153076.db2.gz SNBBRFUVMTZGCV-VWLOTQADSA-N 0 0 466.559 4.187 50 0 JIAARN Cc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)cc(=O)c2c1 ZINC000002342931 554157003 /nfs/dbraw/zinc/15/70/03/554157003.db2.gz RKSXSYRSZOLUSO-UHFFFAOYSA-N 0 0 476.554 4.483 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2N)cc1OC ZINC000002369782 554169730 /nfs/dbraw/zinc/16/97/30/554169730.db2.gz PPHSYFRFLFWTLU-UHFFFAOYSA-N 0 0 487.891 4.079 50 0 JIAARN O=C(CSc1nsc(SCC(=O)Nc2ccccc2F)n1)Nc1ccccc1F ZINC000002383733 554176785 /nfs/dbraw/zinc/17/67/85/554176785.db2.gz VDFDDSMIBRXGLF-UHFFFAOYSA-N 0 0 452.533 4.278 50 0 JIAARN COc1cccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2N)c1 ZINC000002397499 554183630 /nfs/dbraw/zinc/18/36/30/554183630.db2.gz PVYFOVGGAITZBO-UHFFFAOYSA-N 0 0 457.865 4.071 50 0 JIAARN COc1ccc(Cn2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)cc1 ZINC000002398095 554183896 /nfs/dbraw/zinc/18/38/96/554183896.db2.gz LBIXANLNKKWPGK-UHFFFAOYSA-N 0 0 450.545 4.118 50 0 JIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000002415680 554194746 /nfs/dbraw/zinc/19/47/46/554194746.db2.gz UUJUQQKZUIOFRD-QGZVFWFLSA-N 0 0 467.890 4.143 50 0 JIAARN CCOC(=O)C1=NN(c2cccc(OC)c2)[C@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 ZINC000002415523 554194770 /nfs/dbraw/zinc/19/47/70/554194770.db2.gz PROQDVYZGFBQNH-QHCPKHFHSA-N 0 0 485.587 4.394 50 0 JIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(CC(C)C)s2)cc1 ZINC000002428282 554203087 /nfs/dbraw/zinc/20/30/87/554203087.db2.gz MAJYCTSFORREIB-HXUWFJFHSA-N 0 0 475.526 4.379 50 0 JIAARN NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)cc1 ZINC000002443189 554211171 /nfs/dbraw/zinc/21/11/71/554211171.db2.gz IJWQPYAGTQFCRB-UHFFFAOYSA-N 0 0 467.938 4.070 50 0 JIAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(OC)cc1 ZINC000002450934 554218238 /nfs/dbraw/zinc/21/82/38/554218238.db2.gz OFFSLBKRVFRCND-UHFFFAOYSA-N 0 0 461.547 4.467 50 0 JIAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2 ZINC000002459533 554222988 /nfs/dbraw/zinc/22/29/88/554222988.db2.gz OOTFZZMRQLQCPV-OAHLLOKOSA-N 0 0 450.029 4.417 50 0 JIAARN COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SCCC(=O)N32)cc(OC)c1OC ZINC000002486116 554226366 /nfs/dbraw/zinc/22/63/66/554226366.db2.gz OJQKVWVYCUDAKN-JOCHJYFZSA-N 0 0 482.558 4.106 50 0 JIAARN O=S(=O)(c1ccc(-c2csc(Nc3ccc(Br)cc3)n2)cc1)N1CCOCC1 ZINC000002489871 554227310 /nfs/dbraw/zinc/22/73/10/554227310.db2.gz LXWGWRPVONMXEE-UHFFFAOYSA-N 0 0 480.409 4.337 50 0 JIAARN O=C(COc1ncnc2scc(-c3ccc(F)cc3)c21)Nc1ccc(N2CCOCC2)cc1 ZINC000002619657 554244167 /nfs/dbraw/zinc/24/41/67/554244167.db2.gz UHISJSKAUXYDNY-UHFFFAOYSA-N 0 0 464.522 4.352 50 0 JIAARN O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000002624913 554248712 /nfs/dbraw/zinc/24/87/12/554248712.db2.gz OHPXZJHIGRLLMA-UHFFFAOYSA-N 0 0 482.320 4.168 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccc(Cl)s3)n2C)c1 ZINC000002631927 554253777 /nfs/dbraw/zinc/25/37/77/554253777.db2.gz IOPFSDFOXUABPL-UHFFFAOYSA-N 0 0 485.056 4.203 50 0 JIAARN Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000002635146 554255781 /nfs/dbraw/zinc/25/57/81/554255781.db2.gz MVDADTQEBGDKEP-KRWDZBQOSA-N 0 0 454.910 4.220 50 0 JIAARN O=S(=O)(c1ccc(Oc2ncnc3sc4c(c32)CCCC4)c(Cl)c1)N1CCOCC1 ZINC000002637552 554257842 /nfs/dbraw/zinc/25/78/42/554257842.db2.gz YHGDFWMLUVQDAE-UHFFFAOYSA-N 0 0 465.984 4.037 50 0 JIAARN O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)NCCCc1ccccc1 ZINC000002637668 554258055 /nfs/dbraw/zinc/25/80/55/554258055.db2.gz JONRQTCTHDLSTR-UHFFFAOYSA-N 0 0 487.629 4.101 50 0 JIAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1cc(=O)oc2cc(O)ccc12 ZINC000002642495 554261208 /nfs/dbraw/zinc/26/12/08/554261208.db2.gz UMSGIMVEXVMBMK-UHFFFAOYSA-N 0 0 458.495 4.499 50 0 JIAARN COc1ccc(C(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000002645234 554263024 /nfs/dbraw/zinc/26/30/24/554263024.db2.gz HQNCADJORVKVKZ-QGZVFWFLSA-N 0 0 485.558 4.030 50 0 JIAARN O=c1c2ccccc2nnn1CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 ZINC000002645736 554263228 /nfs/dbraw/zinc/26/32/28/554263228.db2.gz XGNKVLGEHOQVPX-UHFFFAOYSA-N 0 0 480.937 4.007 50 0 JIAARN COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc(NC(=O)c2cccs2)c1OC ZINC000002647685 554264764 /nfs/dbraw/zinc/26/47/64/554264764.db2.gz YJBYZIWQNQWURW-LBPRGKRZSA-N 0 0 489.937 4.250 50 0 JIAARN Cc1sc2nc(SCC(=O)Nc3ccc(C(N)=O)cc3)n(C3CCCC3)c(=O)c2c1C ZINC000002651252 554267230 /nfs/dbraw/zinc/26/72/30/554267230.db2.gz RYSQHUVQCUSYOD-UHFFFAOYSA-N 0 0 456.593 4.020 50 0 JIAARN CC(C)CN(C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1nc2ccccc2s1 ZINC000002652021 554268020 /nfs/dbraw/zinc/26/80/20/554268020.db2.gz KDCKNAGGALZYFP-INIZCTEOSA-N 0 0 451.548 4.110 50 0 JIAARN CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000002652728 554268511 /nfs/dbraw/zinc/26/85/11/554268511.db2.gz FYZBSFBQXIXGMI-UHFFFAOYSA-N 0 0 484.632 4.030 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccccc3OC)n1C)CCCC2 ZINC000002652775 554268603 /nfs/dbraw/zinc/26/86/03/554268603.db2.gz GUZJKDUHCFVWAJ-UHFFFAOYSA-N 0 0 486.619 4.339 50 0 JIAARN CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(OC)cc3)c(=O)c3cc(OC)ccc32)cc1 ZINC000002688509 554284517 /nfs/dbraw/zinc/28/45/17/554284517.db2.gz BSGGZXYAFXTGNF-UHFFFAOYSA-N 0 0 486.524 4.287 50 0 JIAARN COc1cccc2cc(C(=O)Nc3ccccc3)/c(=N/NS(=O)(=O)c3ccc(C)c(C)c3)oc21 ZINC000002689934 554285489 /nfs/dbraw/zinc/28/54/89/554285489.db2.gz PIGQKMMCIXKRBS-RFBIWTDZSA-N 0 0 477.542 4.105 50 0 JIAARN COc1ccccc1NC(=O)Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(C)ccc21 ZINC000002691063 554286429 /nfs/dbraw/zinc/28/64/29/554286429.db2.gz CFBBTZUBOKDRIG-UHFFFAOYSA-N 0 0 496.972 4.443 50 0 JIAARN CCOc1ccc(S(=O)(=O)c2cn(Cc3ccccc3F)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000002692570 554288908 /nfs/dbraw/zinc/28/89/08/554288908.db2.gz LXBVCPQKYZSEJQ-UHFFFAOYSA-N 0 0 497.544 4.438 50 0 JIAARN O=C(COc1cccc2c1CCN(Cc1ccc(Cl)cc1)C2=O)N1CCN(c2ccccc2)CC1 ZINC000002716451 554301887 /nfs/dbraw/zinc/30/18/87/554301887.db2.gz VZZULSAGVVZWBW-UHFFFAOYSA-N 0 0 490.003 4.266 50 0 JIAARN Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)[nH]c3=O)cc1 ZINC000002717881 554303157 /nfs/dbraw/zinc/30/31/57/554303157.db2.gz IVUONJHCQQLVEH-UHFFFAOYSA-N 0 0 475.452 4.047 50 0 JIAARN COCCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1cccc(C(F)(F)F)c1 ZINC000002718182 554303632 /nfs/dbraw/zinc/30/36/32/554303632.db2.gz FXDSWGKULBJHJL-LJQANCHMSA-N 0 0 484.540 4.222 50 0 JIAARN CCOc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2ccc(F)cc2F)CCS3)cc1 ZINC000002719891 554304893 /nfs/dbraw/zinc/30/48/93/554304893.db2.gz SXLPZBDSOSYKFT-UHFFFAOYSA-N 0 0 475.542 4.288 50 0 JIAARN Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000002721119 554307227 /nfs/dbraw/zinc/30/72/27/554307227.db2.gz MLKDKDKYNIMNRG-UHFFFAOYSA-N 0 0 457.621 4.173 50 0 JIAARN CCNC(=S)N(CCc1c(C)[nH]c2ccc(OC)cc21)Cc1cc(OC)c(OC)c(OC)c1 ZINC000002722558 554308557 /nfs/dbraw/zinc/30/85/57/554308557.db2.gz YLFMTHOLNJFPHN-UHFFFAOYSA-N 0 0 471.623 4.450 50 0 JIAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000002723411 554308829 /nfs/dbraw/zinc/30/88/29/554308829.db2.gz BOXGQGQIDHQBAP-UHFFFAOYSA-N 0 0 462.959 4.453 50 0 JIAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4cn(CC)nc4C)cc3n2)s1 ZINC000002727218 554313284 /nfs/dbraw/zinc/31/32/84/554313284.db2.gz JPTKJJJRBFQYCA-UHFFFAOYSA-N 0 0 462.501 4.494 50 0 JIAARN O=C(c1ccccc1I)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000002728790 554313775 /nfs/dbraw/zinc/31/37/75/554313775.db2.gz YQWFDRZHTIFWSK-UHFFFAOYSA-N 0 0 460.237 4.272 50 0 JIAARN CCOC(=O)C1=C(CSc2nc(C)cc(C(F)F)n2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000002733022 554317145 /nfs/dbraw/zinc/31/71/45/554317145.db2.gz LCZCWRVCJSMJPP-GOSISDBHSA-N 0 0 462.522 4.418 50 0 JIAARN CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCn2cc(Cl)cn2)cc1 ZINC000002733817 554318247 /nfs/dbraw/zinc/31/82/47/554318247.db2.gz WHQVYJNEFKVJCC-UHFFFAOYSA-N 0 0 483.981 4.076 50 0 JIAARN CCCOC(=O)c1c2c(sc1NC(=O)Cn1nc(C)c(Br)c1C)CCCC2 ZINC000002745735 554323756 /nfs/dbraw/zinc/32/37/56/554323756.db2.gz JLXCWHDFTZYPJM-UHFFFAOYSA-N 0 0 454.390 4.408 50 0 JIAARN CCn1ncc(Br)c1C(=O)Nc1cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c1 ZINC000002755212 554327912 /nfs/dbraw/zinc/32/79/12/554327912.db2.gz KWCGTMCVYWTGNR-UHFFFAOYSA-N 0 0 466.332 4.048 50 0 JIAARN Cc1ccc(-c2cc(C(=O)NN3CCN(C)CC3)c3cc(Br)ccc3n2)cc1C ZINC000002773400 554338206 /nfs/dbraw/zinc/33/82/06/554338206.db2.gz JRRYTYOVUWJHKB-UHFFFAOYSA-N 0 0 453.384 4.173 50 0 JIAARN Cc1cc(CNC(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Cl)nn1C ZINC000002784486 554343496 /nfs/dbraw/zinc/34/34/96/554343496.db2.gz OQTRHCQRAIOVSR-UHFFFAOYSA-N 0 0 454.865 4.102 50 0 JIAARN CN(Cc1ccn(C)n1)C(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000002792088 554347778 /nfs/dbraw/zinc/34/77/78/554347778.db2.gz LQZSINKYCHJJNJ-UHFFFAOYSA-N 0 0 454.865 4.136 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ncn(Cc3ccccc3C)n2)c(Cl)cc1Cl ZINC000002793798 554349480 /nfs/dbraw/zinc/34/94/80/554349480.db2.gz HRYLLMRUWCEFLU-UHFFFAOYSA-N 0 0 496.420 4.224 50 0 JIAARN CCn1cc(CN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2cccc(C)c2)cn1 ZINC000002797347 554351224 /nfs/dbraw/zinc/35/12/24/554351224.db2.gz SURGNFSNKVPNIO-NRFANRHFSA-N 0 0 482.009 4.396 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1c(Cl)c(C)nn1C)C[C@@H](CC)CC2 ZINC000002801757 554353689 /nfs/dbraw/zinc/35/36/89/554353689.db2.gz MAHHBTMGNWAFNM-NSHDSACASA-N 0 0 469.032 4.262 50 0 JIAARN CC(C)(C)c1ccc(C2=N/C(=C/c3cc(Br)ccc3OS(C)(=O)=O)C(=O)O2)cc1 ZINC000002823755 554365499 /nfs/dbraw/zinc/36/54/99/554365499.db2.gz SVSANQMMARSGCW-SFQUDFHCSA-N 0 0 478.364 4.430 50 0 JIAARN Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccccc3F)n2C)C(C)C)c1 ZINC000002830669 554368091 /nfs/dbraw/zinc/36/80/91/554368091.db2.gz XKGURDAJKKCARV-HXUWFJFHSA-N 0 0 455.559 4.121 50 0 JIAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000002836491 554370002 /nfs/dbraw/zinc/37/00/02/554370002.db2.gz IFOCYZWVGPNKEK-JOCHJYFZSA-N 0 0 495.560 4.360 50 0 JIAARN CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000002836871 554370323 /nfs/dbraw/zinc/37/03/23/554370323.db2.gz YGIZWURKEPWEGA-UHFFFAOYSA-N 0 0 478.599 4.225 50 0 JIAARN COc1ccc(CCN2C(=O)[C@@H](Oc3ccccc3C)[C@@H]2c2ccc3c(c2)OCO3)cc1OC ZINC000002846587 554376296 /nfs/dbraw/zinc/37/62/96/554376296.db2.gz FWPZGTYLQBSQJB-UIOOFZCWSA-N 0 0 461.514 4.315 50 0 JIAARN CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(Br)c1 ZINC000002851387 554379616 /nfs/dbraw/zinc/37/96/16/554379616.db2.gz OMWCEKLRVGNLST-UHFFFAOYSA-N 0 0 469.401 4.106 50 0 JIAARN COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1Cl ZINC000002852805 554380653 /nfs/dbraw/zinc/38/06/53/554380653.db2.gz RVGIPMCFXAVBBX-UHFFFAOYSA-N 0 0 472.994 4.441 50 0 JIAARN C[C@H](Nc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc2ccccc21)c1ccccc1 ZINC000002858207 554384633 /nfs/dbraw/zinc/38/46/33/554384633.db2.gz QAOXAVJTCGRBKU-FQEVSTJZSA-N 0 0 473.602 4.314 50 0 JIAARN CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)c1 ZINC000002861690 554388648 /nfs/dbraw/zinc/38/86/48/554388648.db2.gz BSGGPFGRMPQRCQ-UHFFFAOYSA-N 0 0 464.971 4.171 50 0 JIAARN O=S(=O)(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000002864684 554390925 /nfs/dbraw/zinc/39/09/25/554390925.db2.gz GOOUVYOEENTMTF-UHFFFAOYSA-N 0 0 470.341 4.222 50 0 JIAARN CCc1ccc(N(CC(=O)Nc2cc(C(=O)OC)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002874733 554397689 /nfs/dbraw/zinc/39/76/89/554397689.db2.gz SSDQCFGOBZVJIY-UHFFFAOYSA-N 0 0 480.586 4.486 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000002884905 554405835 /nfs/dbraw/zinc/40/58/35/554405835.db2.gz NFIWRAZDLHGTOQ-UHFFFAOYSA-N 0 0 452.576 4.394 50 0 JIAARN COc1ccc(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000002930672 554411397 /nfs/dbraw/zinc/41/13/97/554411397.db2.gz CUPAQYUIYWZBQE-UHFFFAOYSA-N 0 0 474.966 4.500 50 0 JIAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)Nc1ccccc1OC ZINC000002965459 554413742 /nfs/dbraw/zinc/41/37/42/554413742.db2.gz MFRCOSLDOZACKV-UXHICEINSA-N 0 0 450.564 4.460 50 0 JIAARN CC1CCN(C(=O)CSC2=Nc3ccccc3C3=N[C@H](Cc4c[nH]c5ccccc45)C(=O)N32)CC1 ZINC000002964281 554413796 /nfs/dbraw/zinc/41/37/96/554413796.db2.gz GHNDYDTYJYSKCY-HSZRJFAPSA-N 0 0 485.613 4.361 50 0 JIAARN CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000002999206 554422137 /nfs/dbraw/zinc/42/21/37/554422137.db2.gz PPLNTUPTAUJPET-UHFFFAOYSA-N 0 0 451.386 4.051 50 0 JIAARN COc1cc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2)c3=O)cc(OC)c1OC ZINC000003630407 554467776 /nfs/dbraw/zinc/46/77/76/554467776.db2.gz HBLNHPBSFHQUQJ-UHFFFAOYSA-N 0 0 463.515 4.326 50 0 JIAARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC)CC3)cc2)c1 ZINC000004121651 554474114 /nfs/dbraw/zinc/47/41/14/554474114.db2.gz RMWLNUKIWHXBLJ-UHFFFAOYSA-N 0 0 468.623 4.051 50 0 JIAARN CCOC(=O)Cn1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000005947928 554497925 /nfs/dbraw/zinc/49/79/25/554497925.db2.gz RMYWYMZSTJNUKN-YBFXNURJSA-N 0 0 482.334 4.060 50 0 JIAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2cccnc2)cc1 ZINC000005949170 554498256 /nfs/dbraw/zinc/49/82/56/554498256.db2.gz JVESRRJQKKHATM-HSZRJFAPSA-N 0 0 474.586 4.007 50 0 JIAARN COc1cccc(S(=O)(=O)Nc2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)cc2)c1 ZINC000006267897 554523542 /nfs/dbraw/zinc/52/35/42/554523542.db2.gz QYPGVTVSVYPGEJ-UHFFFAOYSA-N 0 0 499.614 4.178 50 0 JIAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCc2ccncc2)ccc1Cl ZINC000006347027 554531874 /nfs/dbraw/zinc/53/18/74/554531874.db2.gz FLWYZUIAPTZWGT-UHFFFAOYSA-N 0 0 450.347 4.144 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1OC ZINC000006577990 554553641 /nfs/dbraw/zinc/55/36/41/554553641.db2.gz ZTXIWVMQGMPRCY-UHFFFAOYSA-N 0 0 481.553 4.084 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1 ZINC000006578052 554553859 /nfs/dbraw/zinc/55/38/59/554553859.db2.gz RGEYMOFHGZMQHZ-UHFFFAOYSA-N 0 0 481.553 4.084 50 0 JIAARN CN1CCN(C(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@]3=O)CC1 ZINC000006578114 554554066 /nfs/dbraw/zinc/55/40/66/554554066.db2.gz GBXCQTLVWIJXDX-UMSFTDKQSA-N 0 0 494.016 4.055 50 0 JIAARN CCn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccccc1C(=O)OC ZINC000006878440 554559733 /nfs/dbraw/zinc/55/97/33/554559733.db2.gz BTSOTLDHOWHLKX-UHFFFAOYSA-N 0 0 459.959 4.081 50 0 JIAARN Cc1ccc(S(=O)(=O)n2ccnc2[C@@](O)(c2ccccc2)c2ccc(Br)cc2)cc1 ZINC000008382734 554566103 /nfs/dbraw/zinc/56/61/03/554566103.db2.gz BVDWVRWAXANXMB-HSZRJFAPSA-N 0 0 483.387 4.475 50 0 JIAARN O=c1ccc(=O)n(-c2ccccc2)n1CCCCn1c2ccccc2nc1Cc1ccccc1 ZINC000008385648 554568956 /nfs/dbraw/zinc/56/89/56/554568956.db2.gz UAKXCTVIUNKMIQ-UHFFFAOYSA-N 0 0 450.542 4.420 50 0 JIAARN CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(-c4nc5ccc(C)cc5s4)cc3)C2=O)CC1 ZINC000008414595 554578369 /nfs/dbraw/zinc/57/83/69/554578369.db2.gz KLLPCNRXEKEXEL-NRFANRHFSA-N 0 0 477.586 4.179 50 0 JIAARN COc1c(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc1Br ZINC000008429898 554582913 /nfs/dbraw/zinc/58/29/13/554582913.db2.gz PLOYHUSTYYBLJO-OAHLLOKOSA-N 0 0 487.217 4.124 50 0 JIAARN CCOC(=O)c1c(NC(=O)CN2C(=O)c3cccc4cccc(c43)C2=O)sc2c1CCCC2 ZINC000008432985 554586739 /nfs/dbraw/zinc/58/67/39/554586739.db2.gz PECIZZJRMDJLMO-UHFFFAOYSA-N 0 0 462.527 4.192 50 0 JIAARN CCCOc1c(I)cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc1OC ZINC000008437767 554588614 /nfs/dbraw/zinc/58/86/14/554588614.db2.gz ACXFKEGGMAEHHG-BOPFTXTBSA-N 0 0 493.297 4.442 50 0 JIAARN O=C(CCCCCCNS(=O)(=O)c1ccccc1)OCC(=O)c1ccc(Br)cc1 ZINC000008444742 554594422 /nfs/dbraw/zinc/59/44/22/554594422.db2.gz KRMMHTXKPOEKSI-UHFFFAOYSA-N 0 0 482.396 4.104 50 0 JIAARN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cccs5)c(=O)n42)c2ccccc2CC3)c1OC ZINC000008452732 554598389 /nfs/dbraw/zinc/59/83/89/554598389.db2.gz JMAKJOOKOWISIF-NLZIUFDSSA-N 0 0 486.618 4.397 50 0 JIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000008454156 554599580 /nfs/dbraw/zinc/59/95/80/554599580.db2.gz IVYPSLHPDTYJQJ-OAHLLOKOSA-N 0 0 480.380 4.052 50 0 JIAARN Cc1cc(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000008746049 554649026 /nfs/dbraw/zinc/64/90/26/554649026.db2.gz KZENTNVKEYGQDM-QGZVFWFLSA-N 0 0 476.649 4.343 50 0 JIAARN Cc1cccc(C)c1-n1c(SCc2ccccn2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC000008747142 554650315 /nfs/dbraw/zinc/65/03/15/554650315.db2.gz MYZFVOLRTUDITN-UHFFFAOYSA-N 0 0 479.631 4.489 50 0 JIAARN C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccc2c(c1)CCCC2 ZINC000008750259 554652472 /nfs/dbraw/zinc/65/24/72/554652472.db2.gz YEALZCAULMPSOF-AVRDEDQJSA-N 0 0 477.630 4.424 50 0 JIAARN O=C(Cc1sc(N2CCCCC2)nc1O)Nc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000008755589 554657447 /nfs/dbraw/zinc/65/74/47/554657447.db2.gz IWSXVSOFRTWMPF-GOTSBHOMSA-N 0 0 490.629 4.307 50 0 JIAARN Cc1oc2cc3oc(=O)c(CCC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)c(C)c3cc2c1-c1ccccc1 ZINC000008764392 554664911 /nfs/dbraw/zinc/66/49/11/554664911.db2.gz IDPPVDXFTOSLJG-LJQANCHMSA-N 0 0 493.581 4.401 50 0 biogenic JIAARN CC1(C)Cc2c(sc3c2c(=O)n(C2CCCCC2)c(=O)n3CC(=O)Nc2ccccc2)CO1 ZINC000008769949 554670212 /nfs/dbraw/zinc/67/02/12/554670212.db2.gz KMBZINGBGVIURW-UHFFFAOYSA-N 0 0 467.591 4.220 50 0 JIAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)c1C ZINC000008775978 554674267 /nfs/dbraw/zinc/67/42/67/554674267.db2.gz HMRPHZVBMQIVPO-UHFFFAOYSA-N 0 0 483.542 4.258 50 0 JIAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccc(Br)cc2)CC1 ZINC000008782135 554679420 /nfs/dbraw/zinc/67/94/20/554679420.db2.gz AFDFEQLUPAHLOR-UHFFFAOYSA-N 0 0 476.845 4.410 50 0 JIAARN CC(C)C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789110 554681124 /nfs/dbraw/zinc/68/11/24/554681124.db2.gz CPLBEQAZPRICIH-CLAHJSNCSA-N 0 0 472.589 4.496 50 0 biogenic JIAARN COc1ccc(CNC(=O)COc2cc3c(c4oc(=O)c5c(c24)CCC5)CCC(C)(C)O3)cc1 ZINC000008791566 554684702 /nfs/dbraw/zinc/68/47/02/554684702.db2.gz HXGPZXBBJLKQOJ-UHFFFAOYSA-N 0 0 463.530 4.089 50 0 biogenic JIAARN COc1ccc(CNC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)cc1OC ZINC000008791587 554684729 /nfs/dbraw/zinc/68/47/29/554684729.db2.gz KVADAZNJVURTNX-UHFFFAOYSA-N 0 0 451.519 4.081 50 0 biogenic JIAARN COc1cc2c(c3oc(=O)c(CCC(=O)N4CCN(c5ccccc5)CC4)c(C)c13)CCC(C)(C)O2 ZINC000008792527 554686226 /nfs/dbraw/zinc/68/62/26/554686226.db2.gz UBIUQUJMQLXRTP-UHFFFAOYSA-N 0 0 490.600 4.495 50 0 biogenic JIAARN CCOC(=O)C1CCN(C(=O)c2cnn3c2nc(C)c(Cc2cccc(Cl)c2)c3C)CC1 ZINC000008811102 554691958 /nfs/dbraw/zinc/69/19/58/554691958.db2.gz NKPAZXZECMDLCE-UHFFFAOYSA-N 0 0 454.958 4.006 50 0 JIAARN O=C(NCCc1ccc(Cl)cc1)c1cnc2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1O ZINC000008813184 554695282 /nfs/dbraw/zinc/69/52/82/554695282.db2.gz QGKAYRCGKCTGDM-UHFFFAOYSA-N 0 0 499.951 4.094 50 0 JIAARN CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NC3CCCC3)c2c1 ZINC000008814291 554696549 /nfs/dbraw/zinc/69/65/49/554696549.db2.gz PRHIXZWYPCRLGJ-UHFFFAOYSA-N 0 0 452.580 4.048 50 0 JIAARN COc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c(OC)cc1NC(=O)c1ccccc1 ZINC000008816466 554698507 /nfs/dbraw/zinc/69/85/07/554698507.db2.gz NGNFAXDXZYBYEB-KRWDZBQOSA-N 0 0 477.492 4.087 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000008818876 554702810 /nfs/dbraw/zinc/70/28/10/554702810.db2.gz CYMQXEJLWJMSSR-BFQRBYDTSA-N 0 0 464.974 4.117 50 0 JIAARN O=C(COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000008824279 554711173 /nfs/dbraw/zinc/71/11/73/554711173.db2.gz GLHDZUJKDIPFDN-UHFFFAOYSA-N 0 0 456.542 4.387 50 0 JIAARN O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)OCc1nnc(-c2ccc(Br)cc2)o1 ZINC000008825778 554714608 /nfs/dbraw/zinc/71/46/08/554714608.db2.gz OPSWRVNZGJCUDH-UHFFFAOYSA-N 0 0 488.382 4.265 50 0 JIAARN COc1ccccc1-n1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nnc1-c1cccs1 ZINC000008826446 554716314 /nfs/dbraw/zinc/71/63/14/554716314.db2.gz XGLCZGMJCQRLLW-UHFFFAOYSA-N 0 0 478.555 4.310 50 0 JIAARN COc1ccc(Cn2c(N)c(S(=O)(=O)c3ccc(OC)cc3)c3nc4ccccc4nc32)cc1 ZINC000008836608 554736662 /nfs/dbraw/zinc/73/66/62/554736662.db2.gz RCNKKNKOQMKPHQ-UHFFFAOYSA-N 0 0 474.542 4.065 50 0 JIAARN CCCCOC(=O)c1ccc(-n2c(N)c(C(=O)NCCCOCC)c3nc4ccccc4nc32)cc1 ZINC000008836649 554736897 /nfs/dbraw/zinc/73/68/97/554736897.db2.gz WVGMDVIRBBFZIN-UHFFFAOYSA-N 0 0 489.576 4.269 50 0 JIAARN CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OCC[NH+](CC)CC)cc2)c1=O ZINC000008836952 554737372 /nfs/dbraw/zinc/73/73/72/554737372.db2.gz ZWDODPTYMIZNTI-UHFFFAOYSA-N 0 0 479.577 4.258 50 0 JIAARN Cc1c(NC(=O)c2cccc(NC(=O)Cc3ccccc3C)c2)c(=O)n(-c2ccccc2)n1C ZINC000008847973 554746148 /nfs/dbraw/zinc/74/61/48/554746148.db2.gz JYBXUTXQXAZYNJ-UHFFFAOYSA-N 0 0 454.530 4.226 50 0 JIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)NCc3ccc(Cl)cc3)cs2)c1 ZINC000008850953 554747910 /nfs/dbraw/zinc/74/79/10/554747910.db2.gz BVEHHDVQDXXBTK-UHFFFAOYSA-N 0 0 461.996 4.395 50 0 JIAARN CCOc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3cccc(OC)c3)n2)cc1 ZINC000008851052 554748069 /nfs/dbraw/zinc/74/80/69/554748069.db2.gz NMIMPOZZVDXYAL-UHFFFAOYSA-N 0 0 457.577 4.462 50 0 JIAARN COc1cc(Br)c(S(=O)(=O)N(C)Cc2ccc3ccccc3c2)cc1OC ZINC000008852844 554749107 /nfs/dbraw/zinc/74/91/07/554749107.db2.gz MHXKVEPUHSATCU-UHFFFAOYSA-N 0 0 450.354 4.440 50 0 JIAARN C[C@@H](Oc1ccccc1F)c1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)o1 ZINC000008861855 554759278 /nfs/dbraw/zinc/75/92/78/554759278.db2.gz JIMAVCYIIZBAAT-UONOGXRCSA-N 0 0 456.499 4.205 50 0 JIAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1N ZINC000008862370 554760133 /nfs/dbraw/zinc/76/01/33/554760133.db2.gz KLLUIYCKHMJGOM-GFCCVEGCSA-N 0 0 459.000 4.234 50 0 JIAARN COC(=O)C1=CN(CCOC23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1ccc(F)cc1 ZINC000008867219 554761147 /nfs/dbraw/zinc/76/11/47/554761147.db2.gz GVXSPPNGUINJLC-UHFFFAOYSA-N 0 0 469.553 4.324 50 0 JIAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(S(=O)(=O)NC)cc1 ZINC000008870921 554765876 /nfs/dbraw/zinc/76/58/76/554765876.db2.gz LGKPENKANJCYSC-UHFFFAOYSA-N 0 0 453.442 4.082 50 0 JIAARN CCOc1ccc(CCNC(=O)CN2CCCN(Cc3ccc(F)cc3Cl)C2=O)cc1OCC ZINC000008877859 554773355 /nfs/dbraw/zinc/77/33/55/554773355.db2.gz YYBDLAWWAYSKAI-UHFFFAOYSA-N 0 0 491.991 4.263 50 0 JIAARN CN(CC(=O)Nc1ccccc1Br)C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000008880177 554775551 /nfs/dbraw/zinc/77/55/51/554775551.db2.gz AKGYFICJWJHYMQ-UHFFFAOYSA-N 0 0 499.336 4.295 50 0 JIAARN COc1cc(/C=C/C(=O)Nc2nnc(SCc3ccccc3F)s2)cc2c1OCCO2 ZINC000008883164 554777923 /nfs/dbraw/zinc/77/79/23/554777923.db2.gz SOINZGOZKJAKHW-VOTSOKGWSA-N 0 0 459.524 4.401 50 0 JIAARN CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1[C@H](NC(=O)c1ccccc1F)C(C)C ZINC000008884246 554778605 /nfs/dbraw/zinc/77/86/05/554778605.db2.gz LBSQORYVECKQNG-GOSISDBHSA-N 0 0 490.630 4.368 50 0 JIAARN Cc1cc(C(=O)CSc2nnc(N3CCOCC3)n2-c2cccc(C)c2)c(C)n1C1CC1 ZINC000008894015 554782750 /nfs/dbraw/zinc/78/27/50/554782750.db2.gz XFZBCTAUNYPAEC-UHFFFAOYSA-N 0 0 451.596 4.141 50 0 JIAARN C[C@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4cccs4)n3C3CC3)c2C(N)=O)C1 ZINC000008901896 554795761 /nfs/dbraw/zinc/79/57/61/554795761.db2.gz ZYTWRFYJVYANGO-NSHDSACASA-N 0 0 473.649 4.358 50 0 JIAARN COc1ccc(CCNC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)c(OC)c1 ZINC000008912206 554802122 /nfs/dbraw/zinc/80/21/22/554802122.db2.gz FXVDUSPMAYOGCS-UHFFFAOYSA-N 0 0 476.602 4.272 50 0 JIAARN CCN(Cc1ccccc1)c1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008912418 554802629 /nfs/dbraw/zinc/80/26/29/554802629.db2.gz RVMZHRLBUDVWRZ-UHFFFAOYSA-N 0 0 485.052 4.449 50 0 JIAARN Cc1nc2ccc(S(=O)(=O)N[C@H](C(=O)NC3CCC(C)CC3)c3ccccc3)cc2s1 ZINC000008912544 554802952 /nfs/dbraw/zinc/80/29/52/554802952.db2.gz KHHJKBWAWAGLHQ-URWDPPFZSA-N 0 0 457.621 4.319 50 0 JIAARN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)N3CCN(c4cc(C)ccc4C)CC3)CC2)s1 ZINC000008912669 554803251 /nfs/dbraw/zinc/80/32/51/554803251.db2.gz VAMCTZZFMHQBPR-UHFFFAOYSA-N 0 0 478.666 4.128 50 0 JIAARN COc1ccc(Cn2c(SCc3ccc(C(=O)NCCc4c[nH]cn4)cc3)nc3cccnc32)cc1 ZINC000008912931 554803843 /nfs/dbraw/zinc/80/38/43/554803843.db2.gz ORFHLEDSUGTUIU-UHFFFAOYSA-N 0 0 498.612 4.476 50 0 JIAARN Cc1nc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccc(C)cc4)CC3)ccc2n1C1CCCC1 ZINC000008912953 554804007 /nfs/dbraw/zinc/80/40/07/554804007.db2.gz JGPCLFLZAABWEU-UHFFFAOYSA-N 0 0 494.661 4.485 50 0 JIAARN CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@]12c1ccccc1N(Cc1ccccc1)C2=O ZINC000008915552 554809558 /nfs/dbraw/zinc/80/95/58/554809558.db2.gz VBQGUWVOYVQSQS-PMERELPUSA-N 0 0 494.547 4.466 50 0 JIAARN Cc1ccsc1CN(C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000008916966 554811705 /nfs/dbraw/zinc/81/17/05/554811705.db2.gz JCPVEWRIGRWMLJ-DZGCQCFKSA-N 0 0 462.420 4.347 50 0 JIAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NC2CCCC2)C(=O)[C@]31C ZINC000008918065 554813997 /nfs/dbraw/zinc/81/39/97/554813997.db2.gz QXXGSMWDVORRRD-MHZLTWQESA-N 0 0 472.545 4.089 50 0 biogenic JIAARN C[C@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OCc2ccccc2)[C@@H]3C1=O ZINC000008922380 554819340 /nfs/dbraw/zinc/81/93/40/554819340.db2.gz WKGYIJPAKTYYHC-CZGKWXHWSA-N 0 0 468.347 4.036 50 0 JIAARN COc1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)c(OC)c1 ZINC000008923048 554820202 /nfs/dbraw/zinc/82/02/02/554820202.db2.gz QVINXDPKJNYRPH-AREMUKBSSA-N 0 0 465.933 4.407 50 0 JIAARN COC(=O)c1sc2ccccc2c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008928314 554825667 /nfs/dbraw/zinc/82/56/67/554825667.db2.gz QWLYWOURQNSLHM-INIZCTEOSA-N 0 0 478.979 4.133 50 0 JIAARN C[C@@H](NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)c1ccccc1 ZINC000008933461 554827485 /nfs/dbraw/zinc/82/74/85/554827485.db2.gz MVVVBZPXOGWGIB-GOSISDBHSA-N 0 0 454.505 4.416 50 0 JIAARN CCCSCCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O ZINC000008933503 554827535 /nfs/dbraw/zinc/82/75/35/554827535.db2.gz IXEOAIFCXVGZLT-UHFFFAOYSA-N 0 0 466.582 4.188 50 0 JIAARN CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(Cl)ccc1Cl ZINC000008951943 554835092 /nfs/dbraw/zinc/83/50/92/554835092.db2.gz OMERBCHTGHAGGU-UHFFFAOYSA-N 0 0 455.407 4.241 50 0 JIAARN COCCCn1c(=O)c2c3c(sc2nc1SCc1nnc(-c2ccco2)o1)SCCC3 ZINC000008966305 554842540 /nfs/dbraw/zinc/84/25/40/554842540.db2.gz LQJGTWFOCYCMHM-UHFFFAOYSA-N 0 0 476.605 4.468 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)c(C)c1 ZINC000008968173 554842727 /nfs/dbraw/zinc/84/27/27/554842727.db2.gz GIWRYKWASRCWIE-LJQANCHMSA-N 0 0 467.609 4.306 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CC=C(c2ccccc2)CC1 ZINC000008985557 554848797 /nfs/dbraw/zinc/84/87/97/554848797.db2.gz OKJKYVSSNXVMEO-UHFFFAOYSA-N 0 0 478.536 4.422 50 0 JIAARN CCOc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2OC)cc1 ZINC000008986867 554849446 /nfs/dbraw/zinc/84/94/46/554849446.db2.gz VUZQJWOHNRKFQO-UHFFFAOYSA-N 0 0 464.474 4.092 50 0 JIAARN CSCC[C@H](C(=O)Nc1nc(-c2cc(F)ccc2F)cs1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000008986797 554849475 /nfs/dbraw/zinc/84/94/75/554849475.db2.gz WZLCMOSKHVKILI-SUNYJGFJSA-N 0 0 479.574 4.324 50 0 JIAARN Cn1c(CCNC(=O)c2ccccc2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000008996186 554856645 /nfs/dbraw/zinc/85/66/45/554856645.db2.gz JYFIRGPJDGPXQX-UHFFFAOYSA-N 0 0 462.937 4.217 50 0 JIAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000009009819 554863282 /nfs/dbraw/zinc/86/32/82/554863282.db2.gz VWWWDFPKMRRLIM-POTDNYQPSA-N 0 0 497.982 4.407 50 0 JIAARN Cc1ccc(Cn2cnc3c(cnn3CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)c2=O)cc1 ZINC000009016338 554866488 /nfs/dbraw/zinc/86/64/88/554866488.db2.gz CLFZQMVCPSJTIS-UHFFFAOYSA-N 0 0 490.007 4.231 50 0 JIAARN CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1SCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009050973 554872002 /nfs/dbraw/zinc/87/20/02/554872002.db2.gz QMZYTYRLAWDSAX-UHFFFAOYSA-N 0 0 466.028 4.249 50 0 JIAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)Nc3ccc4c(c3)CCC4)C2=O)cc1C ZINC000009056474 554874751 /nfs/dbraw/zinc/87/47/51/554874751.db2.gz MYUZSERSGJSYRC-NDEPHWFRSA-N 0 0 453.542 4.226 50 0 JIAARN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 ZINC000009059793 554878385 /nfs/dbraw/zinc/87/83/85/554878385.db2.gz LOOCEAQWIDKKLP-JWQCQUIFSA-N 0 0 469.541 4.403 50 0 JIAARN O=S1(=O)C[C@@H]2N=C(SCCCc3ccccc3)N(c3ccc(Br)cc3)[C@H]2C1 ZINC000009061318 554879328 /nfs/dbraw/zinc/87/93/28/554879328.db2.gz ZSLLUHHUIBGTQS-OALUTQOASA-N 0 0 465.438 4.157 50 0 JIAARN CC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009094845 554892375 /nfs/dbraw/zinc/89/23/75/554892375.db2.gz ZWOILWFEGRXNGQ-QFIPXVFZSA-N 0 0 456.951 4.071 50 0 JIAARN CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc2Cl)CC1 ZINC000009096893 554895511 /nfs/dbraw/zinc/89/55/11/554895511.db2.gz STPGWUBWALSHNN-UHFFFAOYSA-N 0 0 478.998 4.173 50 0 JIAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000009101393 554896580 /nfs/dbraw/zinc/89/65/80/554896580.db2.gz ZIKDVWWDQHFZJJ-QGZVFWFLSA-N 0 0 465.531 4.234 50 0 JIAARN O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)N1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000009103675 554897078 /nfs/dbraw/zinc/89/70/78/554897078.db2.gz 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/nfs/dbraw/zinc/15/39/29/555153929.db2.gz RXFCBYHKWTWRPB-ZFLSFVSKSA-N 0 0 491.569 4.378 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@H]2c2ccc(F)cc2)cc1 ZINC000009392275 555156692 /nfs/dbraw/zinc/15/66/92/555156692.db2.gz ICEZTWJZTNXXTE-QHCPKHFHSA-N 0 0 487.578 4.046 50 0 JIAARN Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CC1)C[C@@H](C)O2 ZINC000009405927 555165252 /nfs/dbraw/zinc/16/52/52/555165252.db2.gz IUWZVSWKRVGIKQ-MOPGFXCFSA-N 0 0 479.577 4.063 50 0 JIAARN Cc1ccc2c(c1)N(C(=O)N1CCC[C@H](C(=O)NCc3ccccc3Br)C1)C[C@H](C)O2 ZINC000009405990 555165598 /nfs/dbraw/zinc/16/55/98/555165598.db2.gz GHVNPHJFCMNCHZ-HKUYNNGSSA-N 0 0 486.410 4.493 50 0 JIAARN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(-c5ccccc5)nc4c3)C2)cc1 ZINC000009406767 555167411 /nfs/dbraw/zinc/16/74/11/555167411.db2.gz WPSGSESTMGYKLH-LJQANCHMSA-N 0 0 490.585 4.278 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H]1c1cccs1 ZINC000009407075 555168280 /nfs/dbraw/zinc/16/82/80/555168280.db2.gz MNQHZBVACQWQPA-LOSJGSFVSA-N 0 0 493.604 4.163 50 0 JIAARN Cc1cc(C)c(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c2ccc(C)c(Cl)c2)c(C)c1 ZINC000009408183 555170104 /nfs/dbraw/zinc/17/01/04/555170104.db2.gz RZNQMTNIVVJVBH-PMACEKPBSA-N 0 0 492.066 4.287 50 0 JIAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(Br)c2)N1C[C@@H]1CCCO1 ZINC000009408898 555171865 /nfs/dbraw/zinc/17/18/65/555171865.db2.gz YVKFBPXSAREMDD-BTYIYWSLSA-N 0 0 454.324 4.269 50 0 JIAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(Br)c2)N1C[C@@H]1CCCO1 ZINC000009408897 555171872 /nfs/dbraw/zinc/17/18/72/555171872.db2.gz YVKFBPXSAREMDD-YCRPNKLZSA-N 0 0 454.324 4.269 50 0 JIAARN CCOc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)ccc1OCCC(C)C ZINC000009409294 555173892 /nfs/dbraw/zinc/17/38/92/555173892.db2.gz CAHCZCVYRZEFBP-VWLOTQADSA-N 0 0 465.550 4.143 50 0 JIAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)on4)cc3N2)cc1OC ZINC000009410611 555177169 /nfs/dbraw/zinc/17/71/69/555177169.db2.gz SSDLHDGRGKBIEW-WBMJQRKESA-N 0 0 451.405 4.109 50 0 JIAARN Cc1cccc2c(=O)c(-c3ccc4c(c3)OCO4)c(NC(=O)CN3CCN(c4ccccc4)CC3)oc12 ZINC000009410955 555178103 /nfs/dbraw/zinc/17/81/03/555178103.db2.gz YKWFLXHUHOVBKX-UHFFFAOYSA-N 0 0 497.551 4.258 50 0 JIAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)C[S@@](=O)C3)cc1OCC ZINC000009413331 555180112 /nfs/dbraw/zinc/18/01/12/555180112.db2.gz UGDAPXCNNVBGRL-JGCGQSQUSA-N 0 0 453.564 4.301 50 0 JIAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)c1cccc(Br)c1 ZINC000009413518 555180410 /nfs/dbraw/zinc/18/04/10/555180410.db2.gz ZHYIZTNSVIZKBS-AREMUKBSSA-N 0 0 450.745 4.303 50 0 JIAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000009415391 555182874 /nfs/dbraw/zinc/18/28/74/555182874.db2.gz GSBHOSTXKFEYLY-QFIPXVFZSA-N 0 0 496.614 4.184 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CSc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1 ZINC000009415437 555183062 /nfs/dbraw/zinc/18/30/62/555183062.db2.gz ACUMDKGOVSZTPY-UHFFFAOYSA-N 0 0 485.953 4.201 50 0 JIAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000009415397 555183109 /nfs/dbraw/zinc/18/31/09/555183109.db2.gz GSBHOSTXKFEYLY-JOCHJYFZSA-N 0 0 496.614 4.184 50 0 JIAARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncn(-c2cccc(Cl)c2)c1=O ZINC000009424428 555188835 /nfs/dbraw/zinc/18/88/35/555188835.db2.gz GHWRQWMDIDZKRQ-UHFFFAOYSA-N 0 0 482.993 4.337 50 0 JIAARN CC(C)c1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009424554 555189171 /nfs/dbraw/zinc/18/91/71/555189171.db2.gz ZNKWFTDFKJTCSK-HXUWFJFHSA-N 0 0 480.424 4.167 50 0 JIAARN COc1ccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000009425497 555190089 /nfs/dbraw/zinc/19/00/89/555190089.db2.gz RCBVNNYOVAJKTL-UHFFFAOYSA-N 0 0 454.548 4.155 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009431221 555199763 /nfs/dbraw/zinc/19/97/63/555199763.db2.gz VRKJGYPNYPXUGU-SANMLTNESA-N 0 0 499.585 4.066 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2C(=O)OC)[C@@H]1c1cccs1 ZINC000009432574 555201753 /nfs/dbraw/zinc/20/17/53/555201753.db2.gz ZUXMWAHGXXHXEN-VXKWHMMOSA-N 0 0 464.543 4.101 50 0 JIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cc(OC)ccc2OC)[C@H]1c1cccs1 ZINC000009432745 555202216 /nfs/dbraw/zinc/20/22/16/555202216.db2.gz AGQKDJSFRFIZAZ-DNQXCXABSA-N 0 0 480.586 4.009 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=S)Nc1cccnc1 ZINC000009442745 555215154 /nfs/dbraw/zinc/21/51/54/555215154.db2.gz YOAYVDWNRLKFJD-UHFFFAOYSA-N 0 0 493.408 4.462 50 0 JIAARN COc1cc(C(=O)COC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc(OC)c1OC ZINC000009442747 555215163 /nfs/dbraw/zinc/21/51/63/555215163.db2.gz SVOYKCIRJMGSGY-UHFFFAOYSA-N 0 0 472.925 4.267 50 0 JIAARN COc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)cc1OC ZINC000009442865 555215632 /nfs/dbraw/zinc/21/56/32/555215632.db2.gz JREZNXYJGRXGIC-UHFFFAOYSA-N 0 0 480.542 4.458 50 0 JIAARN O=C(Cc1cccs1)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1 ZINC000009444989 555217881 /nfs/dbraw/zinc/21/78/81/555217881.db2.gz TZERZAWPQKBCPT-UHFFFAOYSA-N 0 0 492.022 4.220 50 0 JIAARN Cc1c(NC(=O)[C@@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000009446167 555219032 /nfs/dbraw/zinc/21/90/32/555219032.db2.gz OKUCHZJHIJCDCG-GOSISDBHSA-N 0 0 488.617 4.121 50 0 JIAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1oc2ccccc2c1C ZINC000009457348 555226460 /nfs/dbraw/zinc/22/64/60/555226460.db2.gz VSJZESJTKFZFMC-UHFFFAOYSA-N 0 0 482.533 4.171 50 0 JIAARN COc1ccc(OCCCOc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2OC)cc1 ZINC000009461676 555229796 /nfs/dbraw/zinc/22/97/96/555229796.db2.gz ADWPUHHLYIAUIG-UQQQWYQISA-N 0 0 488.565 4.322 50 0 JIAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nc(-c2cccc(Br)c2)no1 ZINC000009461651 555229825 /nfs/dbraw/zinc/22/98/25/555229825.db2.gz WDWSTJMSDFESCH-UHFFFAOYSA-N 0 0 489.329 4.495 50 0 JIAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 ZINC000009463466 555233816 /nfs/dbraw/zinc/23/38/16/555233816.db2.gz CMVYTZUQNORLMP-GOSISDBHSA-N 0 0 497.617 4.472 50 0 JIAARN Cc1nn(Cc2ccccc2)c(Cl)c1C=CC(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000009464181 555235608 /nfs/dbraw/zinc/23/56/08/555235608.db2.gz YFTFFSQJPNFHMA-ZHACJKMWSA-N 0 0 480.977 4.437 50 0 JIAARN Nn1c(COc2cccc(Br)c2)nnc1SCc1ncc(-c2ccccc2)o1 ZINC000009464340 555236271 /nfs/dbraw/zinc/23/62/71/555236271.db2.gz OBINUMNDCORCHD-UHFFFAOYSA-N 0 0 458.341 4.281 50 0 JIAARN C[C@H](Sc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)C(=O)Nc1ccc(F)cc1 ZINC000009464507 555236719 /nfs/dbraw/zinc/23/67/19/555236719.db2.gz RNSFMYUVTQMTAD-AWEZNQCLSA-N 0 0 463.556 4.261 50 0 JIAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000009464700 555237425 /nfs/dbraw/zinc/23/74/25/555237425.db2.gz NESBCHODLZFERC-UHFFFAOYSA-N 0 0 454.885 4.492 50 0 JIAARN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc4C3)c2)cc1 ZINC000009465094 555238437 /nfs/dbraw/zinc/23/84/37/555238437.db2.gz GXERKVCATLIRLV-UHFFFAOYSA-N 0 0 456.951 4.348 50 0 JIAARN Cc1cccn2cc(CSc3nc4sc5c(c4c(=O)n3C[C@@H]3CCCO3)CCC5)nc12 ZINC000009468475 555248185 /nfs/dbraw/zinc/24/81/85/555248185.db2.gz JZTNKKRBSYWHRA-INIZCTEOSA-N 0 0 452.605 4.374 50 0 JIAARN O=C(c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009469229 555250670 /nfs/dbraw/zinc/25/06/70/555250670.db2.gz KIINFAMSXBSWRN-UHFFFAOYSA-N 0 0 483.446 4.057 50 0 JIAARN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)N(Cc1ccco1)C1=CCCCC1 ZINC000009470790 555254186 /nfs/dbraw/zinc/25/41/86/555254186.db2.gz ZQBUUJDDNGYDFO-UHFFFAOYSA-N 0 0 461.609 4.038 50 0 JIAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000009471219 555254708 /nfs/dbraw/zinc/25/47/08/555254708.db2.gz BSJUODBECBSJJH-UHFFFAOYSA-N 0 0 479.627 4.339 50 0 JIAARN CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4cccc(OC)c4)CC3)C2=O)cc1 ZINC000009477729 555258914 /nfs/dbraw/zinc/25/89/14/555258914.db2.gz BDNQSUKFEIDULG-RUZDIDTESA-N 0 0 465.594 4.108 50 0 JIAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cc2)C1 ZINC000009478182 555259999 /nfs/dbraw/zinc/25/99/99/555259999.db2.gz SYLHBJOXJHSZAD-LJQANCHMSA-N 0 0 493.633 4.344 50 0 JIAARN CC(=O)N(c1nc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cs1)c1ccccc1 ZINC000009481327 555261030 /nfs/dbraw/zinc/26/10/30/555261030.db2.gz LTKRAOHIVRMPLD-UHFFFAOYSA-N 0 0 478.574 4.407 50 0 JIAARN O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 ZINC000009483004 555262068 /nfs/dbraw/zinc/26/20/68/555262068.db2.gz XMLNSBAXTCUXGB-QUCCMNQESA-N 0 0 465.981 4.360 50 0 JIAARN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 ZINC000009487346 555263316 /nfs/dbraw/zinc/26/33/16/555263316.db2.gz BGQGWIDGIFXZMY-KSSFIOAISA-N 0 0 483.615 4.142 50 0 JIAARN C[C@]1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2cccc3ccccc32)C1=O ZINC000009491499 555269165 /nfs/dbraw/zinc/26/91/65/555269165.db2.gz SIDCLJSBCYTRHQ-JOCHJYFZSA-N 0 0 452.308 4.008 50 0 JIAARN O=C(CSc1ccccc1C(=O)Nc1ccc(N2CCOCC2)cc1)Nc1ccc2c(c1)OCO2 ZINC000009491689 555269851 /nfs/dbraw/zinc/26/98/51/555269851.db2.gz OREMNVFEPKZFLH-UHFFFAOYSA-N 0 0 491.569 4.235 50 0 JIAARN 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ZINC000009847055 555547056 /nfs/dbraw/zinc/54/70/56/555547056.db2.gz BDCMRNULVGHNEC-UHFFFAOYSA-N 0 0 493.589 4.065 50 0 JIAARN Cc1ccccc1-n1c(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1N1CCOCC1 ZINC000009847237 555547988 /nfs/dbraw/zinc/54/79/88/555547988.db2.gz JLRAKJVSTHCDLF-SFHVURJKSA-N 0 0 477.590 4.128 50 0 JIAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 ZINC000009849799 555552062 /nfs/dbraw/zinc/55/20/62/555552062.db2.gz YTCNODGHSFIYSV-UHFFFAOYSA-N 0 0 495.974 4.493 50 0 JIAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(C)ccc32)c(OC)c1 ZINC000009855730 555555782 /nfs/dbraw/zinc/55/57/82/555555782.db2.gz UQGUICMFYNIWTO-UHFFFAOYSA-N 0 0 456.498 4.197 50 0 JIAARN CCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccc(OC)cc1 ZINC000009856984 555557770 /nfs/dbraw/zinc/55/77/70/555557770.db2.gz LWGIJXMFSKPDMA-UHFFFAOYSA-N 0 0 490.581 4.352 50 0 JIAARN Cc1nonc1CN(C)[C@@H]1CCc2c(sc3ncn(Cc4cccc(C(F)(F)F)c4)c(=O)c23)C1 ZINC000019939747 555557792 /nfs/dbraw/zinc/55/77/92/555557792.db2.gz KSEMGDOMUZLPFR-MRXNPFEDSA-N 0 0 489.523 4.206 50 0 JIAARN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)Nc4cc(Cl)c(OC)cc4OC)C3)n2)cc1 ZINC000009857784 555558926 /nfs/dbraw/zinc/55/89/26/555558926.db2.gz IARWYAWULIOGHY-OAHLLOKOSA-N 0 0 472.929 4.271 50 0 JIAARN CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2S(=O)(=O)c2ccccc2)cc1 ZINC000009971534 555569577 /nfs/dbraw/zinc/56/95/77/555569577.db2.gz JCWBBBMQBFIWGY-UHFFFAOYSA-N 0 0 465.556 4.207 50 0 JIAARN Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3ccccc3Br)CC2)n1 ZINC000009971940 555570700 /nfs/dbraw/zinc/57/07/00/555570700.db2.gz JYUHMWYIGYIOBX-UHFFFAOYSA-N 0 0 491.393 4.157 50 0 JIAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000009971926 555570782 /nfs/dbraw/zinc/57/07/82/555570782.db2.gz FDFMZAFEVAEPLX-UHFFFAOYSA-N 0 0 487.629 4.463 50 0 JIAARN Cc1c2c(cc(=O)n1C[C@H]1CCCO1)n(Cc1ccccc1)n(-c1nc3ccccc3s1)c2=O ZINC000009972283 555571667 /nfs/dbraw/zinc/57/16/67/555571667.db2.gz XYRKERQLRYSNDV-LJQANCHMSA-N 0 0 472.570 4.099 50 0 JIAARN COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000019974265 555576348 /nfs/dbraw/zinc/57/63/48/555576348.db2.gz BJQNXVYIJVBISX-UHFFFAOYSA-N 0 0 468.897 4.222 50 0 JIAARN O=S1(=O)C[C@@H]2N=C(SCCCOc3ccccc3)N(c3ccc(F)c(Cl)c3)[C@H]2C1 ZINC000013686035 555579383 /nfs/dbraw/zinc/57/93/83/555579383.db2.gz VKBCZMMYYRLBHL-OALUTQOASA-N 0 0 454.976 4.023 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1Cl ZINC000009979535 555581104 /nfs/dbraw/zinc/58/11/04/555581104.db2.gz WAYCHFDIHBZNEH-UHFFFAOYSA-N 0 0 478.014 4.434 50 0 JIAARN COc1cc(C(=O)N[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C(C)C)cc(OC)c1OC ZINC000009983813 555583048 /nfs/dbraw/zinc/58/30/48/555583048.db2.gz GFJJKBILLKGGSO-GOSISDBHSA-N 0 0 454.445 4.124 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000009984679 555583941 /nfs/dbraw/zinc/58/39/41/555583941.db2.gz NIDNJLBFUKOTMR-AREMUKBSSA-N 0 0 485.584 4.448 50 0 JIAARN COc1ccc(CN(C)CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1F ZINC000009984578 555583955 /nfs/dbraw/zinc/58/39/55/555583955.db2.gz UOUVZBLJQILYMJ-UHFFFAOYSA-N 0 0 456.539 4.332 50 0 JIAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000009991044 555587032 /nfs/dbraw/zinc/58/70/32/555587032.db2.gz FYHWENJINVBDBG-UHFFFAOYSA-N 0 0 479.964 4.400 50 0 JIAARN CC(C)OC(=O)c1ccc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 ZINC000013692820 555587693 /nfs/dbraw/zinc/58/76/93/555587693.db2.gz YLRJNFJXZCEWCZ-ILBGXUMGSA-N 0 0 465.571 4.101 50 0 JIAARN COc1ccc(-c2noc(COC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)n2)c(OC)c1 ZINC000009996171 555589609 /nfs/dbraw/zinc/58/96/09/555589609.db2.gz JTEPJDOVGGSVPK-UHFFFAOYSA-N 0 0 455.467 4.458 50 0 JIAARN CCn1cc(/C=C(\NC(=O)c2ccc(OC)c(OC)c2)C(=O)N2CCCCC2)c2ccccc21 ZINC000010004055 555591088 /nfs/dbraw/zinc/59/10/88/555591088.db2.gz WJQUMCFKXVETTF-JWGURIENSA-N 0 0 461.562 4.462 50 0 JIAARN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000010010510 555592779 /nfs/dbraw/zinc/59/27/79/555592779.db2.gz XXODBNUEZGFCTI-UHFFFAOYSA-N 0 0 450.366 4.458 50 0 JIAARN COc1cccc(-c2nc3sc4c(c3c(=O)n2CC(=O)NC2CCCCC2)CCCC4)c1 ZINC000010013064 555593589 /nfs/dbraw/zinc/59/35/89/555593589.db2.gz QPIBOFLKDXITPU-UHFFFAOYSA-N 0 0 451.592 4.461 50 0 JIAARN CCc1ccccc1N(C)C(=O)c1sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c2c1C ZINC000010013311 555594510 /nfs/dbraw/zinc/59/45/10/555594510.db2.gz OFAKIPGVXWDGTH-MRXNPFEDSA-N 0 0 466.607 4.006 50 0 JIAARN CCCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1S[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000010016648 555595636 /nfs/dbraw/zinc/59/56/36/555595636.db2.gz RCIXOEWUEBQXCV-CQSZACIVSA-N 0 0 496.058 4.254 50 0 JIAARN COC(=O)c1ccc(Oc2c(C)oc3c(ccc4c3CN(Cc3ccncc3)CO4)c2=O)cc1 ZINC000013721749 555597556 /nfs/dbraw/zinc/59/75/56/555597556.db2.gz ORBYJOSYWWBZRS-UHFFFAOYSA-N 0 0 458.470 4.427 50 0 JIAARN COc1ccc(C)cc1/C=C/C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC ZINC000010030989 555601088 /nfs/dbraw/zinc/60/10/88/555601088.db2.gz WPHFLCRBNVHBBQ-UKTHLTGXSA-N 0 0 458.580 4.229 50 0 JIAARN COc1ccc(-c2coc3cc(OCC(=O)N4CCO[C@H](c5ccccc5)C4)ccc3c2=O)cc1 ZINC000013728228 555601959 /nfs/dbraw/zinc/60/19/59/555601959.db2.gz OEKIPZPLZJRUDJ-SANMLTNESA-N 0 0 471.509 4.448 50 0 biogenic JIAARN O=C(CCc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O)N1CCN(c2ccccc2)CC1 ZINC000010037418 555603989 /nfs/dbraw/zinc/60/39/89/555603989.db2.gz XWZJCTIKKOSTOM-UHFFFAOYSA-N 0 0 487.003 4.380 50 0 JIAARN O=C(C[C@@]1(O)c2ccccc2N(Cc2ccc3c(c2)OCO3)C1=O)c1ccc2c(c1)CCCC2 ZINC000010059168 555609346 /nfs/dbraw/zinc/60/93/46/555609346.db2.gz PKCAXLSTDNRUEY-MUUNZHRXSA-N 0 0 455.510 4.302 50 0 JIAARN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2C)c1 ZINC000020034786 555609536 /nfs/dbraw/zinc/60/95/36/555609536.db2.gz WBJVRWNYBAUJAF-UHFFFAOYSA-N 0 0 463.559 4.483 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)ccc3OC)C2)cc1Cl ZINC000010059459 555610063 /nfs/dbraw/zinc/61/00/63/555610063.db2.gz MCFABYGDVXUADK-ZDUSSCGKSA-N 0 0 473.378 4.050 50 0 JIAARN CC[C@]1(C)Cc2c(sc3nc(SC)n4c(SCC(=O)Nc5nccs5)nnc4c23)CO1 ZINC000013752107 555610328 /nfs/dbraw/zinc/61/03/28/555610328.db2.gz PIOCTBYFHWAWOZ-LJQANCHMSA-N 0 0 492.677 4.490 50 0 JIAARN COc1cc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(Cl)cc2)cc(OC)c1OC ZINC000010060259 555612355 /nfs/dbraw/zinc/61/23/55/555612355.db2.gz GTFJFWFOUKJXOZ-UHFFFAOYSA-N 0 0 479.924 4.320 50 0 JIAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2-c2ccccc2)c1 ZINC000010076403 555615226 /nfs/dbraw/zinc/61/52/26/555615226.db2.gz UPDDYKFIFFJZRD-UGKGYDQZSA-N 0 0 477.634 4.293 50 0 JIAARN COc1ccc([C@H]2N(C(=O)c3ccccc3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010078519 555616390 /nfs/dbraw/zinc/61/63/90/555616390.db2.gz ACSUJJAUPRJRLZ-DEOSSOPVSA-N 0 0 450.560 4.239 50 0 JIAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CC3)cc2)sc2c1CC[C@@H](C)C2 ZINC000010099443 555617960 /nfs/dbraw/zinc/61/79/60/555617960.db2.gz FBZCUKODNBLUIX-CQSZACIVSA-N 0 0 476.620 4.085 50 0 JIAARN CCOC(=O)c1c(N)n(CCOC(=O)c2ccc(C(C)(C)C)cc2)c2nc3ccccc3nc21 ZINC000013809699 555623962 /nfs/dbraw/zinc/62/39/62/555623962.db2.gz YQUQISXHCLHFTM-UHFFFAOYSA-N 0 0 460.534 4.498 50 0 JIAARN COc1ccc(CNC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccc(F)cc2)cc1 ZINC000020069069 555625945 /nfs/dbraw/zinc/62/59/45/555625945.db2.gz KETIHAZRSLVUNB-FGZHOGPDSA-N 0 0 475.549 4.168 50 0 JIAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000013838409 555630666 /nfs/dbraw/zinc/63/06/66/555630666.db2.gz AGGKMBVIKMOHGN-MUUNZHRXSA-N 0 0 464.569 4.370 50 0 JIAARN COc1ccccc1CNc1nc(-c2cccnc2)nn1S(=O)(=O)c1ccc2ccccc2c1 ZINC000013838988 555630922 /nfs/dbraw/zinc/63/09/22/555630922.db2.gz UCRCHBGZCOFXQK-UHFFFAOYSA-N 0 0 471.542 4.351 50 0 JIAARN COc1ccc([C@@H]2CC(=O)c3c(C)nc(N4CCN(c5ccc(F)cc5)CC4)nc3C2)c(OC)c1 ZINC000020101534 555634117 /nfs/dbraw/zinc/63/41/17/555634117.db2.gz MZCYRVOMOPZJEH-SFHVURJKSA-N 0 0 476.552 4.181 50 0 JIAARN CC(C)C[C@H](C(=O)OCC(=O)C(C)(C)C)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013856074 555634461 /nfs/dbraw/zinc/63/44/61/555634461.db2.gz BYEXFDFSTFLUGE-ANXVLAMFSA-N 0 0 487.596 4.452 50 0 JIAARN COc1ccc2[nH]cc(CCn3ccc4c(cnc5nc(-c6ccc(Cl)cc6)nn54)c3=O)c2c1 ZINC000020102166 555634572 /nfs/dbraw/zinc/63/45/72/555634572.db2.gz GMRCDMKHIDHIGS-UHFFFAOYSA-N 0 0 470.920 4.492 50 0 JIAARN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)Cc3ccc(Cl)cc3)cc2)cc1 ZINC000013857189 555635811 /nfs/dbraw/zinc/63/58/11/555635811.db2.gz VZYJELXYKYKQOP-UHFFFAOYSA-N 0 0 458.919 4.385 50 0 JIAARN COc1ccc(OC)c(-n2c(SCCC(C)C)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000010139529 555636456 /nfs/dbraw/zinc/63/64/56/555636456.db2.gz PAYPHOXZTVZYHX-UHFFFAOYSA-N 0 0 490.651 4.340 50 0 JIAARN COc1ccccc1N1CCN(C(=O)CCCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013880357 555638836 /nfs/dbraw/zinc/63/88/36/555638836.db2.gz VBTRJNMSQFQLIO-IFDVCUOJSA-N 0 0 467.654 4.235 50 0 JIAARN C[C@H]1CCc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)sc2C1 ZINC000010186890 555640864 /nfs/dbraw/zinc/64/08/64/555640864.db2.gz FSJTWUCHFXZVLX-NSHDSACASA-N 0 0 460.046 4.022 50 0 JIAARN COc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)nc21 ZINC000010186883 555640975 /nfs/dbraw/zinc/64/09/75/555640975.db2.gz VRBLBKWZMQFSBZ-UHFFFAOYSA-N 0 0 472.013 4.059 50 0 JIAARN COc1ccc2sc(N(Cc3ccccc3)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc2c1 ZINC000010187507 555643310 /nfs/dbraw/zinc/64/33/10/555643310.db2.gz BITLDTAWXTWCAA-UHFFFAOYSA-N 0 0 481.599 4.402 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3cc(OC)ccc3OC)cc2)cc1 ZINC000013936396 555649245 /nfs/dbraw/zinc/64/92/45/555649245.db2.gz DPVHNTLVTSVUCV-UHFFFAOYSA-N 0 0 473.576 4.322 50 0 JIAARN Cc1cc2nc(N(CCN(C)C)C(=O)CCCS(=O)(=O)c3ccccc3)sc2cc1C ZINC000010218208 555650454 /nfs/dbraw/zinc/65/04/54/555650454.db2.gz UGPUTNZCQDLVBU-UHFFFAOYSA-N 0 0 459.637 4.062 50 0 JIAARN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000010219064 555651984 /nfs/dbraw/zinc/65/19/84/555651984.db2.gz QXAGDWRDTUXEIX-UHFFFAOYSA-N 0 0 464.952 4.385 50 0 JIAARN 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Cc1nc2cc(NS(C)(=O)=O)cc(C(=O)NCc3ccccc3Cl)c2n1Cc1ccccc1 ZINC000012097246 555904716 /nfs/dbraw/zinc/90/47/16/555904716.db2.gz RXNWGUVQQMCRLV-UHFFFAOYSA-N 0 0 482.993 4.348 50 0 JIAARN O=C(N[C@H]1CCCc2ccccc21)C1CCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)CC1 ZINC000012097271 555904822 /nfs/dbraw/zinc/90/48/22/555904822.db2.gz SDIRVIQDVPHEBY-VWLOTQADSA-N 0 0 494.595 4.288 50 0 JIAARN COc1ccc(F)c(C[C@]2(CCC(=O)NCc3cccc(OC(F)(F)F)c3)CCC(=O)N2)c1 ZINC000012098324 555905147 /nfs/dbraw/zinc/90/51/47/555905147.db2.gz JAZCAPCPFKXCPK-QFIPXVFZSA-N 0 0 468.447 4.021 50 0 JIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1CN(C)Cc1ccc2cc(OC)ccc2c1 ZINC000015521230 555913207 /nfs/dbraw/zinc/91/32/07/555913207.db2.gz IDHOGXMQNHOQJG-UHFFFAOYSA-N 0 0 466.607 4.278 50 0 JIAARN CCN(Cc1cccs1)C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1 ZINC000012135375 555913486 /nfs/dbraw/zinc/91/34/86/555913486.db2.gz CYUZRSKSSAIJMO-UHFFFAOYSA-N 0 0 455.653 4.456 50 0 JIAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1 ZINC000012137112 555914238 /nfs/dbraw/zinc/91/42/38/555914238.db2.gz FSOZHCYUPANXJK-UHFFFAOYSA-N 0 0 475.636 4.165 50 0 JIAARN O=C(CCC(=O)OCCCc1ccccc1)NC(=S)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000012137332 555914831 /nfs/dbraw/zinc/91/48/31/555914831.db2.gz YGYRDAJCROEJMJ-JOCHJYFZSA-N 0 0 470.591 4.014 50 0 JIAARN O=C(c1occc1COc1ccccc1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000022282039 555917290 /nfs/dbraw/zinc/91/72/90/555917290.db2.gz NQRPHQNTWPVGPO-UHFFFAOYSA-N 0 0 466.559 4.236 50 0 JIAARN CCOc1ccc(OCCS[C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000015590156 555917519 /nfs/dbraw/zinc/91/75/19/555917519.db2.gz IUPBKTYJXXEHEV-OAHLLOKOSA-N 0 0 487.043 4.128 50 0 JIAARN CC(=O)c1ccc(N2CCN(CC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)CC2)cc1 ZINC000022287111 555917944 /nfs/dbraw/zinc/91/79/44/555917944.db2.gz NOOBMHIHHLHPQZ-UHFFFAOYSA-N 0 0 456.518 4.052 50 0 JIAARN COc1ccc(-c2cc(NC(=O)Cn3c(=O)cnc4ccccc43)ccc2OC(F)F)cc1 ZINC000015598994 555918103 /nfs/dbraw/zinc/91/81/03/555918103.db2.gz IWRDWIOZJIDMTC-UHFFFAOYSA-N 0 0 451.429 4.312 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2cc(C)cc(C)c2)SCC3)cc1OC ZINC000012140551 555918177 /nfs/dbraw/zinc/91/81/77/555918177.db2.gz KIHMHBDWZOCLMA-UHFFFAOYSA-N 0 0 483.615 4.246 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(-c2ccccc2)c1=O ZINC000012140720 555919223 /nfs/dbraw/zinc/91/92/23/555919223.db2.gz XQJPTDCIFGGZQL-UHFFFAOYSA-N 0 0 475.888 4.199 50 0 JIAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015616316 555919374 /nfs/dbraw/zinc/91/93/74/555919374.db2.gz YWHVEBYPKSGPFA-UHFFFAOYSA-N 0 0 455.486 4.219 50 0 JIAARN Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)NCc3ccccc3Cl)c2=O)cc1 ZINC000012140752 555919493 /nfs/dbraw/zinc/91/94/93/555919493.db2.gz YJNIMGAIZTWGMV-UHFFFAOYSA-N 0 0 473.916 4.177 50 0 JIAARN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000015618397 555919720 /nfs/dbraw/zinc/91/97/20/555919720.db2.gz UQAZZYGUSKBRCA-QZTJIDSGSA-N 0 0 486.590 4.011 50 0 JIAARN CCOc1cc(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)ccc1OCC(=O)N1CCCCC1 ZINC000015622006 555920107 /nfs/dbraw/zinc/92/01/07/555920107.db2.gz ZYSYEQIWRSAZTL-UHFFFAOYSA-N 0 0 495.620 4.113 50 0 JIAARN CCOc1c(Br)cc(Cl)cc1NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000022312598 555920567 /nfs/dbraw/zinc/92/05/67/555920567.db2.gz DNNMGSYDDJFFCJ-UHFFFAOYSA-N 0 0 492.153 4.280 50 0 JIAARN O=C(C(c1ccccc1)c1ccccc1)N1CCC2(C[C@H]2C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000012149419 555921210 /nfs/dbraw/zinc/92/12/10/555921210.db2.gz MVVRFRXAQFLEPC-SANMLTNESA-N 0 0 494.639 4.191 50 0 JIAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2)C[C@@H](C)O1 ZINC000015646757 555921982 /nfs/dbraw/zinc/92/19/82/555921982.db2.gz HIBUZQALIFNYTA-CBGDNZLLSA-N 0 0 485.631 4.072 50 0 JIAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)c1 ZINC000022325385 555921990 /nfs/dbraw/zinc/92/19/90/555921990.db2.gz LVWVVUKLINEECA-HUUCEWRRSA-N 0 0 456.568 4.188 50 0 JIAARN COc1ccc(C[C@]2(CCC(=O)N3CCC[C@H](COc4ccc(F)cc4)C3)CCC(=O)N2)cc1OC ZINC000012150718 555923095 /nfs/dbraw/zinc/92/30/95/555923095.db2.gz PHBOIDCNHWWBMJ-RBTNQOKQSA-N 0 0 498.595 4.132 50 0 JIAARN CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccc(C)cc2)n1 ZINC000015670090 555924883 /nfs/dbraw/zinc/92/48/83/555924883.db2.gz QFNUBIMEMFMQRT-IBGZPJMESA-N 0 0 470.533 4.223 50 0 JIAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(OC(C)C)cc3)n2)cc1 ZINC000015670227 555925449 /nfs/dbraw/zinc/92/54/49/555925449.db2.gz SIXTUYVYTHAUBO-NRFANRHFSA-N 0 0 470.533 4.303 50 0 JIAARN Brc1cc2c(cc1CSc1nc(CN3CCOCC3)nc3ccccc31)OCCO2 ZINC000022358509 555925507 /nfs/dbraw/zinc/92/55/07/555925507.db2.gz XJHKAVWZTHAOBD-UHFFFAOYSA-N 0 0 488.407 4.288 50 0 JIAARN O=C(c1cccc(N2CCCC2=O)c1)N(Cc1cccc(OC[C@H]2CCOC2)c1)Cc1ccccn1 ZINC000012152613 555926644 /nfs/dbraw/zinc/92/66/44/555926644.db2.gz UVZKPWYFJMOCGU-QHCPKHFHSA-N 0 0 485.584 4.466 50 0 JIAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)cc1OC ZINC000015670586 555926875 /nfs/dbraw/zinc/92/68/75/555926875.db2.gz MAFDPHVZWUYRNU-SFHVURJKSA-N 0 0 474.496 4.053 50 0 JIAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)cc1OC ZINC000015670589 555926884 /nfs/dbraw/zinc/92/68/84/555926884.db2.gz SQDAIWSZAKQHDQ-LJQANCHMSA-N 0 0 488.523 4.443 50 0 JIAARN Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccco5)n4)c3C3CC3)CC2)cc1 ZINC000012152778 555926991 /nfs/dbraw/zinc/92/69/91/555926991.db2.gz OTUHILFAKPDAAQ-UHFFFAOYSA-N 0 0 454.534 4.071 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)c(C)c1 ZINC000015671354 555928404 /nfs/dbraw/zinc/92/84/04/555928404.db2.gz BHFCLHXLPRYDHT-UHFFFAOYSA-N 0 0 467.595 4.091 50 0 JIAARN COc1cc(CN2CCOc3ccc([C@](C)(O)COc4ccccc4)cc3C2)cc(OC)c1OC ZINC000012157235 555928955 /nfs/dbraw/zinc/92/89/55/555928955.db2.gz PBUXKUSGVQXZRM-MUUNZHRXSA-N 0 0 479.573 4.394 50 0 JIAARN COc1cc(CN2CCOc3ccc([C@@](C)(O)COc4ccccc4)cc3C2)cc(OC)c1OC ZINC000012157231 555928977 /nfs/dbraw/zinc/92/89/77/555928977.db2.gz PBUXKUSGVQXZRM-NDEPHWFRSA-N 0 0 479.573 4.394 50 0 JIAARN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O ZINC000012163816 555931927 /nfs/dbraw/zinc/93/19/27/555931927.db2.gz WDIPETWCESFHLR-UHFFFAOYSA-N 0 0 473.617 4.077 50 0 JIAARN CCOC(=O)C1CCN(Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)c2cccc(C)c2)CC1 ZINC000012190582 555937824 /nfs/dbraw/zinc/93/78/24/555937824.db2.gz ZKGZCGGUUXTJRK-UHFFFAOYSA-N 0 0 495.601 4.419 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCCCC1)N(C[C@@H]1CCCO1)C3=O ZINC000015677074 555941239 /nfs/dbraw/zinc/94/12/39/555941239.db2.gz WCXDHXHXAQJZMS-CUNXSJBXSA-N 0 0 467.610 4.273 50 0 JIAARN COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCCCCC2)N(C[C@H]2CCCO2)C1=O ZINC000015677086 555941501 /nfs/dbraw/zinc/94/15/01/555941501.db2.gz NSSOFJQZAPJGNC-NGOKVRLYSA-N 0 0 497.636 4.281 50 0 JIAARN Cc1c(C(=O)N(C)Cc2nccs2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 ZINC000012209685 555942694 /nfs/dbraw/zinc/94/26/94/555942694.db2.gz XUJZYDOYKBANIB-UHFFFAOYSA-N 0 0 453.549 4.069 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3cccc(NC(=O)C4=C(C)OCCS4)c3)CC2)c1C ZINC000015678154 555942796 /nfs/dbraw/zinc/94/27/96/555942796.db2.gz HPWJLRFHWMVDMD-UHFFFAOYSA-N 0 0 451.592 4.199 50 0 JIAARN COc1cc(CC(=O)N2CCC(n3c4ccccc4nc3[C@@H]3CCCO3)CC2)cc(OC)c1OC ZINC000012240505 555945269 /nfs/dbraw/zinc/94/52/69/555945269.db2.gz OVAMTTSLAURKSQ-QFIPXVFZSA-N 0 0 479.577 4.320 50 0 JIAARN CS(=O)(=O)Nc1cc2ncn(CCc3ccccc3)c2c(C(=O)N2CCC[C@H]2c2nccs2)c1 ZINC000012241867 555945546 /nfs/dbraw/zinc/94/55/46/555945546.db2.gz OYQYLKPHTSKUSG-NRFANRHFSA-N 0 0 495.630 4.084 50 0 JIAARN CC(=O)Nc1cc(C(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)cc2ncn(CCc3ccccn3)c21 ZINC000012243211 555946372 /nfs/dbraw/zinc/94/63/72/555946372.db2.gz HSQZNDGELAZZDK-QFIPXVFZSA-N 0 0 495.583 4.368 50 0 JIAARN Cc1cccnc1CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000012243421 555946667 /nfs/dbraw/zinc/94/66/67/555946667.db2.gz SOXMSURBBVSTQB-UHFFFAOYSA-N 0 0 464.573 4.371 50 0 JIAARN COc1cccc(CNC(=O)CCCN2c3cc(C)ccc3Oc3ncccc3C2=O)c1OC ZINC000015680072 555946784 /nfs/dbraw/zinc/94/67/84/555946784.db2.gz HJIPQNRXLODWFC-UHFFFAOYSA-N 0 0 461.518 4.256 50 0 JIAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1CC(=O)N(C)c1ccccc1)CCCC3 ZINC000015680381 555948282 /nfs/dbraw/zinc/94/82/82/555948282.db2.gz MNFAKSOXFLBCAJ-UHFFFAOYSA-N 0 0 453.564 4.380 50 0 JIAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1CC(=O)Nc1ccccc1OC)CCCC3 ZINC000015680370 555948339 /nfs/dbraw/zinc/94/83/39/555948339.db2.gz HTUOYRFZAXLPMQ-UHFFFAOYSA-N 0 0 469.563 4.364 50 0 JIAARN O=C(CCCNC(=O)N1CCc2c3ccccc3[nH]c2C1)Nc1cccc(Br)c1 ZINC000012321520 555951691 /nfs/dbraw/zinc/95/16/91/555951691.db2.gz GGTQKCWDBYOCEI-UHFFFAOYSA-N 0 0 455.356 4.417 50 0 biogenic JIAARN CC(=O)c1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(Br)cc2)cc1 ZINC000012361458 555957763 /nfs/dbraw/zinc/95/77/63/555957763.db2.gz GHSFFYGBAJYHTB-OAQYLSRUSA-N 0 0 459.365 4.247 50 0 JIAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)Nc1ccccc1 ZINC000022851511 555957887 /nfs/dbraw/zinc/95/78/87/555957887.db2.gz REDIHNBXTSWQEQ-HSZRJFAPSA-N 0 0 462.525 4.239 50 0 JIAARN COC(=O)C1CC[NH+]([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(C)cc2)CC1 ZINC000022852370 555959558 /nfs/dbraw/zinc/95/95/58/555959558.db2.gz NQEQCBOIUFRWFY-SFHVURJKSA-N 0 0 452.536 4.039 50 0 JIAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1I ZINC000012375378 555962467 /nfs/dbraw/zinc/96/24/67/555962467.db2.gz FEPWYJREQDXENH-UHFFFAOYSA-N 0 0 496.301 4.483 50 0 JIAARN O=C(Nc1ccccc1C(=O)Nc1cccnc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000012375390 555962495 /nfs/dbraw/zinc/96/24/95/555962495.db2.gz NPIOBSVKUCEKBJ-UHFFFAOYSA-N 0 0 478.574 4.151 50 0 JIAARN COc1ccc([C@@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000015725603 555962693 /nfs/dbraw/zinc/96/26/93/555962693.db2.gz SCPRKDNLDSWYTJ-MUUNZHRXSA-N 0 0 494.595 4.081 50 0 JIAARN CCOc1ccc(NC(=O)[C@H]2CCCN(Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000015726075 555963020 /nfs/dbraw/zinc/96/30/20/555963020.db2.gz XKAAXQQDSOINLU-SFHVURJKSA-N 0 0 466.538 4.003 50 0 JIAARN Cc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000015727963 555967413 /nfs/dbraw/zinc/96/74/13/555967413.db2.gz ZZNJUOPUFYNOCS-UHFFFAOYSA-N 0 0 457.486 4.185 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000022912668 555968088 /nfs/dbraw/zinc/96/80/88/555968088.db2.gz HJRBGYXSJWPFGL-UHFFFAOYSA-N 0 0 463.409 4.195 50 0 JIAARN C[C@H](C(=O)Nc1ccc(Br)cc1Br)N1CCN(Cc2ccsc2)CC1 ZINC000022914766 555969701 /nfs/dbraw/zinc/96/97/01/555969701.db2.gz CGUTWNRDNFVUEJ-CYBMUJFWSA-N 0 0 487.261 4.418 50 0 JIAARN CCCCN1C(=O)c2ccc(C(=O)N(CC)CC(=O)Nc3c(Cl)cccc3Cl)cc2C1=O ZINC000012398614 555975456 /nfs/dbraw/zinc/97/54/56/555975456.db2.gz QTYVRTPZNMSTAC-UHFFFAOYSA-N 0 0 476.360 4.490 50 0 JIAARN CCc1nn2c(nc(CSc3ccccc3NS(=O)(=O)c3ccc(C)cc3)cc2=O)s1 ZINC000015731969 555975566 /nfs/dbraw/zinc/97/55/66/555975566.db2.gz JTMFPXTUBLGKCU-UHFFFAOYSA-N 0 0 472.617 4.115 50 0 JIAARN COc1cccc(NC(=O)c2ccc(CN3C(=O)C(C)=C(c4ccc(F)cc4)S3(=O)=O)cc2)c1 ZINC000015732884 555977374 /nfs/dbraw/zinc/97/73/74/555977374.db2.gz CFFDHFCCWODUBH-UHFFFAOYSA-N 0 0 480.517 4.190 50 0 JIAARN C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000022928489 555979371 /nfs/dbraw/zinc/97/93/71/555979371.db2.gz MMLZOHRQCQHDQG-UGKGYDQZSA-N 0 0 464.635 4.011 50 0 JIAARN CCOc1cc(C(=O)OCc2cc(=O)n3c(n2)sc2c3CCCC2)cc(OCC)c1OCC ZINC000015734179 555979763 /nfs/dbraw/zinc/97/97/63/555979763.db2.gz CBTADKJFLVQFBJ-UHFFFAOYSA-N 0 0 472.563 4.188 50 0 JIAARN CCn1c2cc(NC(=O)Nc3ccc(OC)c(OC)c3)c(N3CCCCC3)cc2n(CC)c1=O ZINC000015734357 555979789 /nfs/dbraw/zinc/97/97/89/555979789.db2.gz TXTTVKSZICIMAQ-UHFFFAOYSA-N 0 0 467.570 4.494 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccc(F)cc2)NC(=O)c2ccccc2OC)cc1 ZINC000015746695 555985009 /nfs/dbraw/zinc/98/50/09/555985009.db2.gz MPLHOSZXOXKLRF-CJLVFECKSA-N 0 0 462.477 4.421 50 0 JIAARN Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000015766237 555985602 /nfs/dbraw/zinc/98/56/02/555985602.db2.gz CXIBMPXGHXIGGD-BUHFOSPRSA-N 0 0 454.574 4.001 50 0 JIAARN Cc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1Cl ZINC000015768881 555987722 /nfs/dbraw/zinc/98/77/22/555987722.db2.gz FSDGRKUBWJDQKP-OAHLLOKOSA-N 0 0 460.983 4.139 50 0 JIAARN C[C@@H](NC(=O)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000015770545 555988963 /nfs/dbraw/zinc/98/89/63/555988963.db2.gz KFPPOFUPLASXCX-ZWVQEAKRSA-N 0 0 469.651 4.279 50 0 JIAARN O=C(C1CCC(Cn2c(=O)c3sccc3n(Cc3ccccc3)c2=O)CC1)N1CCCCCC1 ZINC000015770582 555988992 /nfs/dbraw/zinc/98/89/92/555988992.db2.gz KBKWPPOFNDPLPV-UHFFFAOYSA-N 0 0 479.646 4.482 50 0 JIAARN CCc1nn2c(nc(COC(=O)c3ccc(NC(=O)[C@H](CC)c4ccccc4)cc3)cc2=O)s1 ZINC000015771659 555990242 /nfs/dbraw/zinc/99/02/42/555990242.db2.gz FDPZRCYARJTTDW-HXUWFJFHSA-N 0 0 476.558 4.203 50 0 JIAARN CC(C)Cc1nn2c(nc(COC(=O)c3ccc(NC(=O)c4ccccc4F)cc3)cc2=O)s1 ZINC000015771785 555990467 /nfs/dbraw/zinc/99/04/67/555990467.db2.gz RVPPHFDLPWQXFR-UHFFFAOYSA-N 0 0 480.521 4.098 50 0 JIAARN CCCCc1nn2c(nc(COC(=O)c3cccc(NC(=O)c4ccccc4F)c3)cc2=O)s1 ZINC000015771924 555991040 /nfs/dbraw/zinc/99/10/40/555991040.db2.gz WCOYULILTIIFJI-UHFFFAOYSA-N 0 0 480.521 4.242 50 0 JIAARN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)c2)c1 ZINC000012521028 555991786 /nfs/dbraw/zinc/99/17/86/555991786.db2.gz DEKOLJZAKMFKML-HSZRJFAPSA-N 0 0 467.591 4.346 50 0 JIAARN CCOCCOC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2Br)ccc1Cl ZINC000012521460 555993048 /nfs/dbraw/zinc/99/30/48/555993048.db2.gz HFVYMZRBRFSTDL-UHFFFAOYSA-N 0 0 476.776 4.405 50 0 JIAARN Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)c(C)c(C)c1C ZINC000022955503 555993490 /nfs/dbraw/zinc/99/34/90/555993490.db2.gz WPSBWUIARSYOEJ-UHFFFAOYSA-N 0 0 479.646 4.327 50 0 JIAARN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000022955889 555993501 /nfs/dbraw/zinc/99/35/01/555993501.db2.gz RWOOFSQGRYHMQO-UHFFFAOYSA-N 0 0 456.955 4.053 50 0 JIAARN Cc1ccc2nc(COc3cccc(C(=O)N4CCN(c5cc(C)nc(C(C)C)n5)CC4)c3)cn2c1 ZINC000022981561 555994974 /nfs/dbraw/zinc/99/49/74/555994974.db2.gz YZPDJKVOSDYFGZ-UHFFFAOYSA-N 0 0 484.604 4.406 50 0 JIAARN COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3nc4ccccc4s3)nc2c1 ZINC000022997520 555997389 /nfs/dbraw/zinc/99/73/89/555997389.db2.gz QWPFMBAHUJPWDB-UHFFFAOYSA-N 0 0 468.604 4.284 50 0 JIAARN COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3ccc(Br)s3)nc2c1 ZINC000022998356 555998298 /nfs/dbraw/zinc/99/82/98/555998298.db2.gz AAIYXLQCZQQDID-UHFFFAOYSA-N 0 0 482.425 4.108 50 0 JIAARN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)OCC(=O)NCC23CC4CC(CC(C4)C2)C3)CC1=O ZINC000012529632 555999474 /nfs/dbraw/zinc/99/94/74/555999474.db2.gz OKSBIUOZOXYDHW-FDHLWBLQSA-N 0 0 466.622 4.429 50 0 JIAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccco2)cc1 ZINC000015781222 556000079 /nfs/dbraw/zinc/00/00/79/556000079.db2.gz YHBFIFVVLLCGIL-IBGZPJMESA-N 0 0 453.438 4.252 50 0 JIAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000012532376 556002727 /nfs/dbraw/zinc/00/27/27/556002727.db2.gz QPIAALBRLDDQQW-CFGMGRTJSA-N 0 0 489.465 4.329 50 0 JIAARN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000023054736 556002877 /nfs/dbraw/zinc/00/28/77/556002877.db2.gz QSLLZTHZPBOERE-LBPRGKRZSA-N 0 0 465.731 4.158 50 0 JIAARN CCOC(=O)c1[nH]c(COC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)c(C(=O)OCC)c1C ZINC000012532700 556003747 /nfs/dbraw/zinc/00/37/47/556003747.db2.gz KRZMRXBDHCUEEW-CSKARUKUSA-N 0 0 481.448 4.043 50 0 JIAARN COC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(OC)cc1OC)C(=O)c1ccccc1S2 ZINC000015784938 556004151 /nfs/dbraw/zinc/00/41/51/556004151.db2.gz UFGMHYSMTOEQCX-UHFFFAOYSA-N 0 0 478.526 4.241 50 0 JIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1c1cccc(C)c1 ZINC000012532970 556004224 /nfs/dbraw/zinc/00/42/24/556004224.db2.gz FTRSHOMZGGURHG-VGSWGCGISA-N 0 0 470.982 4.284 50 0 JIAARN CCOC(=O)C1=C(CSc2nnc(-c3ccc(OCC)cc3)o2)NC(=O)N[C@@H]1c1ccccc1 ZINC000023077555 556005469 /nfs/dbraw/zinc/00/54/69/556005469.db2.gz ULIZXWWGYVHLBZ-HXUWFJFHSA-N 0 0 480.546 4.099 50 0 JIAARN COCCn1c(=O)c2cc(Br)ccc2nc1SCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000023078528 556005803 /nfs/dbraw/zinc/00/58/03/556005803.db2.gz KLGVRWRUQXNOEN-KXBFYZLASA-N 0 0 494.455 4.079 50 0 JIAARN O=C(CSc1nnc(N2CCCC2)n1-c1ccccc1Cl)Nc1nnc(-c2ccccc2)o1 ZINC000012534209 556006420 /nfs/dbraw/zinc/00/64/20/556006420.db2.gz DKRWMLFXKMCVFP-UHFFFAOYSA-N 0 0 481.969 4.302 50 0 JIAARN COc1ccccc1-n1c(SCC(=O)c2ccc3c(c2)CC(=O)N3C)nnc1-c1cccs1 ZINC000012534833 556006931 /nfs/dbraw/zinc/00/69/31/556006931.db2.gz AENYCZIZYVCXMM-UHFFFAOYSA-N 0 0 476.583 4.498 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccccc3)CC2)c2cccc(Cl)c2)cc1 ZINC000015821263 556009646 /nfs/dbraw/zinc/00/96/46/556009646.db2.gz NLYPBGAJOQCDKE-UHFFFAOYSA-N 0 0 498.048 4.188 50 0 JIAARN COc1cc(NC(=O)c2cc(Br)cc(S(=O)(=O)N3CCC(C)CC3)c2)cc(OC)c1 ZINC000012538167 556011469 /nfs/dbraw/zinc/01/14/69/556011469.db2.gz FMRUVYQBYJIVDB-UHFFFAOYSA-N 0 0 497.411 4.139 50 0 JIAARN O=C(c1ccccc1SC(F)F)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000023116663 556012166 /nfs/dbraw/zinc/01/21/66/556012166.db2.gz SKADQUVXQJJSSZ-UHFFFAOYSA-N 0 0 490.601 4.136 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](c2ccccc2)c2ccc3[nH]cnc3c2)c1 ZINC000012540129 556013703 /nfs/dbraw/zinc/01/37/03/556013703.db2.gz VVUYBOIZQTYNDE-XMMPIXPASA-N 0 0 462.575 4.113 50 0 JIAARN COc1cccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc3N2Cc2ccccc2)c1 ZINC000015827310 556014420 /nfs/dbraw/zinc/01/44/20/556014420.db2.gz RBNANTRTTOBTCV-UHFFFAOYSA-N 0 0 467.572 4.132 50 0 JIAARN CS(=O)(=O)c1ccc(Nc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3o2)cc1 ZINC000012540716 556014588 /nfs/dbraw/zinc/01/45/88/556014588.db2.gz VIHXDYJGKDSTTF-UHFFFAOYSA-N 0 0 477.951 4.429 50 0 JIAARN O=C(c1cc2c(nc3sccn23)s1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000012540965 556014941 /nfs/dbraw/zinc/01/49/41/556014941.db2.gz YPUYTOKTBZIHAJ-UHFFFAOYSA-N 0 0 467.439 4.393 50 0 JIAARN CCOc1ccc(CCNC(=O)C2CCN(c3nc4cc(C)ccc4[nH]3)CC2)cc1OCC ZINC000015827649 556015045 /nfs/dbraw/zinc/01/50/45/556015045.db2.gz SZEPCDMYTIVCSN-UHFFFAOYSA-N 0 0 450.583 4.244 50 0 JIAARN COc1ccc(Cl)cc1-c1nc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000012542349 556017443 /nfs/dbraw/zinc/01/74/43/556017443.db2.gz USWDHAUFQCVRCY-CQSZACIVSA-N 0 0 473.986 4.090 50 0 JIAARN O=C(CCC(=O)c1ccccc1)NCCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000015831432 556017633 /nfs/dbraw/zinc/01/76/33/556017633.db2.gz XVASYXMHMSVEAO-UHFFFAOYSA-N 0 0 480.568 4.325 50 0 JIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCCCOc3cccc(C)c3)c(Cl)c2)S1 ZINC000015832929 556018031 /nfs/dbraw/zinc/01/80/31/556018031.db2.gz UTGBPRMSHPACIS-NRFANRHFSA-N 0 0 461.971 4.497 50 0 JIAARN O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000023129059 556018372 /nfs/dbraw/zinc/01/83/72/556018372.db2.gz UHMIKDKGTCZOST-GDLZYMKVSA-N 0 0 473.592 4.295 50 0 JIAARN CCc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000015838097 556021566 /nfs/dbraw/zinc/02/15/66/556021566.db2.gz DVEKPNOSGLZTST-HSZRJFAPSA-N 0 0 466.965 4.276 50 0 JIAARN CCSc1nn(CC(=O)Nc2cccc(C)c2)c2nc3c(c(=O)n12)C(C)(C)Cc1ccccc1-3 ZINC000015839195 556022487 /nfs/dbraw/zinc/02/24/87/556022487.db2.gz CXWWWZXVQVHAOF-UHFFFAOYSA-N 0 0 473.602 4.451 50 0 JIAARN O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCN(Cc2ccsc2)CC1 ZINC000023144861 556022897 /nfs/dbraw/zinc/02/28/97/556022897.db2.gz NFZZOXPTYBGXKD-HHHXNRCGSA-N 0 0 461.631 4.217 50 0 JIAARN Cc1nc2ccc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)cc2c(=O)n1-c1ccc(F)cc1 ZINC000023144014 556022961 /nfs/dbraw/zinc/02/29/61/556022961.db2.gz SZLSFKIXVRFJAC-UHFFFAOYSA-N 0 0 494.548 4.229 50 0 JIAARN COc1ccccc1[C@@H]1Oc2ccccc2-n2c(-c3ccc(C)cc3)c3c(c21)n(C)c(=O)n(C)c3=O ZINC000015858910 556027205 /nfs/dbraw/zinc/02/72/05/556027205.db2.gz SIKHQDQIFCLTAM-MHZLTWQESA-N 0 0 479.536 4.494 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CSc1nnc(C)n1-c1cc(C)ccc1C ZINC000012548866 556027946 /nfs/dbraw/zinc/02/79/46/556027946.db2.gz LNAXCCHRHJXCLR-UHFFFAOYSA-N 0 0 460.607 4.404 50 0 JIAARN Cc1ccc(-c2c3c(c4n2-c2cc(C)ccc2O[C@H]4c2ccco2)n(C)c(=O)n(C)c3=O)cc1 ZINC000015858987 556028204 /nfs/dbraw/zinc/02/82/04/556028204.db2.gz LGRJGDZDXKYMRU-VWLOTQADSA-N 0 0 453.498 4.387 50 0 JIAARN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(Br)s1 ZINC000012549473 556029334 /nfs/dbraw/zinc/02/93/34/556029334.db2.gz OMIHDBNMZSPJCM-UHFFFAOYSA-N 0 0 461.403 4.192 50 0 JIAARN CCOc1cc(C(=O)OCC(=O)N(C)Cc2ccc(Cl)s2)cc(OCC)c1OCC ZINC000023222220 556031832 /nfs/dbraw/zinc/03/18/32/556031832.db2.gz DIGIIYQHBUPHKL-UHFFFAOYSA-N 0 0 455.960 4.413 50 0 JIAARN O=C(NCCC(c1ccccc1)c1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012551295 556033064 /nfs/dbraw/zinc/03/30/64/556033064.db2.gz AVFMURFUZWWVLF-UHFFFAOYSA-N 0 0 462.615 4.426 50 0 JIAARN O=C(Nc1nc(-c2cccs2)cs1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000012551957 556034205 /nfs/dbraw/zinc/03/42/05/556034205.db2.gz AYFODQKFAROVKV-UHFFFAOYSA-N 0 0 497.583 4.094 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000023248597 556034385 /nfs/dbraw/zinc/03/43/85/556034385.db2.gz IUTAQJWFVPYFBF-XMMPIXPASA-N 0 0 484.644 4.154 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)CCc3ccc(OC)c(OC)c3)c2)cc1 ZINC000012552746 556036290 /nfs/dbraw/zinc/03/62/90/556036290.db2.gz OUVYDOSLJVCUJJ-UHFFFAOYSA-N 0 0 498.601 4.136 50 0 JIAARN CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012552800 556036417 /nfs/dbraw/zinc/03/64/17/556036417.db2.gz BGRMLHXYBAQBIW-QHCPKHFHSA-N 0 0 469.651 4.311 50 0 JIAARN O=C(c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)N1CCCSc2ccccc21 ZINC000012553367 556037282 /nfs/dbraw/zinc/03/72/82/556037282.db2.gz XRIMXQVVCLJGAH-UHFFFAOYSA-N 0 0 493.654 4.340 50 0 JIAARN Cc1c(-c2ccccc2)sc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1C(=O)N1CCCCC1 ZINC000023272018 556037715 /nfs/dbraw/zinc/03/77/15/556037715.db2.gz LNPIXZOKMCHSKO-AREMUKBSSA-N 0 0 494.617 4.009 50 0 JIAARN CCOC(=O)[C@H](c1cc(OC)ccc1OC)[C@H]1C=C[C@H](NC(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC000023315264 556040259 /nfs/dbraw/zinc/04/02/59/556040259.db2.gz HMUKPNGTJKXJRR-JMERFSKESA-N 0 0 481.442 4.282 50 0 JIAARN Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)CC1 ZINC000012555426 556040720 /nfs/dbraw/zinc/04/07/20/556040720.db2.gz QHWHMXVETOLNQZ-UHFFFAOYSA-N 0 0 484.021 4.089 50 0 JIAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)OCC(=O)c1ccc2ccccc2c1 ZINC000012555782 556041718 /nfs/dbraw/zinc/04/17/18/556041718.db2.gz ZODQDKIJPNIDKF-UHFFFAOYSA-N 0 0 465.571 4.373 50 0 JIAARN C[C@@H](NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccc(S(N)(=O)=O)cc1 ZINC000012556539 556042893 /nfs/dbraw/zinc/04/28/93/556042893.db2.gz AZSVGPNBBHMJST-QGZVFWFLSA-N 0 0 492.626 4.361 50 0 JIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(C(C)=O)c4)nc3n2)cc1 ZINC000015868168 556044767 /nfs/dbraw/zinc/04/47/67/556044767.db2.gz BCGVJRITBLPIMZ-UHFFFAOYSA-N 0 0 455.396 4.274 50 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/nfs/dbraw/zinc/06/38/32/556063832.db2.gz SMBSRSMGCMICOY-UHFFFAOYSA-N 0 0 464.949 4.299 50 0 JIAARN CCCCCOc1ccc(C(=O)OCC(=O)Nc2cc(C(=O)OCC)cc(C(=O)OCC)c2)cc1 ZINC000012566900 556065277 /nfs/dbraw/zinc/06/52/77/556065277.db2.gz ARKGZLKTPNGBMS-UHFFFAOYSA-N 0 0 485.533 4.405 50 0 JIAARN COc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)[C@@H](C)C(=O)N4)n2C[C@@H]2CCCO2)cc1 ZINC000012567254 556066259 /nfs/dbraw/zinc/06/62/59/556066259.db2.gz JKFNJZBCROPOHH-BEFAXECRSA-N 0 0 478.574 4.163 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000015922152 556069349 /nfs/dbraw/zinc/06/93/49/556069349.db2.gz MCAYFWLNBVSAOQ-QHCPKHFHSA-N 0 0 470.978 4.493 50 0 JIAARN COc1ccccc1NC(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000015922071 556069462 /nfs/dbraw/zinc/06/94/62/556069462.db2.gz RYKAHCAZSPZQHY-NRFANRHFSA-N 0 0 468.557 4.242 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3Cl)c(=O)n2[C@@H]1c1ccccc1 ZINC000015932118 556071033 /nfs/dbraw/zinc/07/10/33/556071033.db2.gz MIBPWSHRWUQRRB-KEWOFRHOSA-N 0 0 473.381 4.105 50 0 JIAARN CCOC(=O)c1cc(-c2cccc(NC(=O)COCc3ccccc3)c2)n(-c2ccccn2)n1 ZINC000023461541 556072432 /nfs/dbraw/zinc/07/24/32/556072432.db2.gz NZMJYYGPRIGPFW-UHFFFAOYSA-N 0 0 456.502 4.266 50 0 JIAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CCn1c(=O)oc2ccccc21 ZINC000023532363 556076636 /nfs/dbraw/zinc/07/66/36/556076636.db2.gz VCWBGMJUAKNSMM-UHFFFAOYSA-N 0 0 450.322 4.169 50 0 JIAARN COc1ccc(OC)c(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)c1 ZINC000015942501 556077576 /nfs/dbraw/zinc/07/75/76/556077576.db2.gz AHMHRSZRXUFSRH-UHFFFAOYSA-N 0 0 458.536 4.356 50 0 JIAARN C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023597167 556079526 /nfs/dbraw/zinc/07/95/26/556079526.db2.gz QGUZIFKFCGIBBW-NSDYXAQKSA-N 0 0 498.977 4.124 50 0 JIAARN CCOC(=O)c1cc(CC)sc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccco1 ZINC000023600797 556079931 /nfs/dbraw/zinc/07/99/31/556079931.db2.gz QKIPAUDYXWLOOR-UHFFFAOYSA-N 0 0 460.581 4.328 50 0 JIAARN COC(=O)c1ccc2c(c1)nc(SCCOc1ccc(OC)cc1)n(Cc1ccco1)c2=O ZINC000023598087 556080032 /nfs/dbraw/zinc/08/00/32/556080032.db2.gz YMZAPOXSVXESTO-UHFFFAOYSA-N 0 0 466.515 4.004 50 0 JIAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCOCC3)c2C(=O)Nc2ccccc2)C1 ZINC000015946054 556082179 /nfs/dbraw/zinc/08/21/79/556082179.db2.gz TXTFDFNHNAHGBZ-QGZVFWFLSA-N 0 0 455.624 4.422 50 0 JIAARN Cc1noc(C)c1CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000023656432 556082304 /nfs/dbraw/zinc/08/23/04/556082304.db2.gz ZUQMLMDDLXMBSD-UHFFFAOYSA-N 0 0 494.617 4.410 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)CC(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000012585448 556082948 /nfs/dbraw/zinc/08/29/48/556082948.db2.gz QTTWMNPOELBHHA-UHFFFAOYSA-N 0 0 471.966 4.160 50 0 JIAARN CCN(CCNC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1cccc(C)c1 ZINC000012585638 556083016 /nfs/dbraw/zinc/08/30/16/556083016.db2.gz JYJKISBNPPKLGD-UHFFFAOYSA-N 0 0 470.664 4.048 50 0 JIAARN O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000012588569 556084932 /nfs/dbraw/zinc/08/49/32/556084932.db2.gz PHGDKKCGIQCKKC-RUZDIDTESA-N 0 0 457.574 4.143 50 0 JIAARN CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(OC)c(Cl)c2)CC1 ZINC000012590889 556086912 /nfs/dbraw/zinc/08/69/12/556086912.db2.gz KXWIOBXACIUBDK-KRWDZBQOSA-N 0 0 486.041 4.241 50 0 JIAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1 ZINC000012591459 556087537 /nfs/dbraw/zinc/08/75/37/556087537.db2.gz USDLTCGRROKJJF-HNNXBMFYSA-N 0 0 473.574 4.126 50 0 JIAARN COc1cc(/C=C/C(=O)N2CCN(Cc3ccccc3F)CC2)ccc1OCc1c(C)noc1C ZINC000023907727 556099539 /nfs/dbraw/zinc/09/95/39/556099539.db2.gz RAMAWLYNSSGOPN-PKNBQFBNSA-N 0 0 479.552 4.376 50 0 JIAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000023908354 556100085 /nfs/dbraw/zinc/10/00/85/556100085.db2.gz SHXKIIYMOLQAQU-FQEVSTJZSA-N 0 0 461.635 4.029 50 0 JIAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000015982209 556100472 /nfs/dbraw/zinc/10/04/72/556100472.db2.gz LRWHXYKOAMVRES-LJQANCHMSA-N 0 0 455.514 4.335 50 0 JIAARN COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1OC ZINC000015996539 556103129 /nfs/dbraw/zinc/10/31/29/556103129.db2.gz NUPSAUAXFWWNEM-YAOOYPAMSA-N 0 0 494.547 4.098 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012735622 556105357 /nfs/dbraw/zinc/10/53/57/556105357.db2.gz DEAYGSURVICOAR-IBGZPJMESA-N 0 0 495.576 4.426 50 0 JIAARN CC(C)n1nc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c2ccccc2c1=O ZINC000016003205 556107121 /nfs/dbraw/zinc/10/71/21/556107121.db2.gz UHSMZDPWNSXFOK-UHFFFAOYSA-N 0 0 459.575 4.245 50 0 JIAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016010055 556108997 /nfs/dbraw/zinc/10/89/97/556108997.db2.gz XIGJBBAUJUHLHZ-JLFWUPFSSA-N 0 0 471.944 4.233 50 0 JIAARN Cc1ccccc1-n1c(SCC(=O)N2CCN(Cc3ccccc3)CC2)nnc1-c1cccnc1 ZINC000023983772 556111774 /nfs/dbraw/zinc/11/17/74/556111774.db2.gz QBFYFTQTUZXTPF-UHFFFAOYSA-N 0 0 484.629 4.074 50 0 JIAARN CCn1c(CN[C@@H](c2cccs2)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000023983800 556112136 /nfs/dbraw/zinc/11/21/36/556112136.db2.gz IXCKYTKXJIMPLS-HSZRJFAPSA-N 0 0 454.621 4.247 50 0 JIAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000023983977 556112498 /nfs/dbraw/zinc/11/24/98/556112498.db2.gz UWVNVRDKIURNIP-HHHXNRCGSA-N 0 0 481.600 4.105 50 0 JIAARN CCOc1ccc(NC(=O)CN(C)C(=O)CSCc2ccc(Cl)cc2)cc1OCC ZINC000023984248 556112511 /nfs/dbraw/zinc/11/25/11/556112511.db2.gz PATGDIHELZVZHC-UHFFFAOYSA-N 0 0 450.988 4.468 50 0 JIAARN O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000016020927 556113351 /nfs/dbraw/zinc/11/33/51/556113351.db2.gz FNCRQOGCSZLSDI-UHFFFAOYSA-N 0 0 450.560 4.305 50 0 JIAARN O=C(C1=C2C(O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000016037733 556120364 /nfs/dbraw/zinc/12/03/64/556120364.db2.gz JSXYQPWDIDSRRJ-AFXVXQJMSA-N 0 0 455.901 4.102 50 0 JIAARN COc1ccc(NC(=O)[C@@H](C)Sc2nnc(CN3CCCC3)n2Cc2ccccc2)cc1 ZINC000024083645 556120713 /nfs/dbraw/zinc/12/07/13/556120713.db2.gz INHZAEUBVXOAMK-GOSISDBHSA-N 0 0 451.596 4.050 50 0 JIAARN COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2cc(OC)ccc2OC)c(OC)c1 ZINC000016042894 556122115 /nfs/dbraw/zinc/12/21/15/556122115.db2.gz YWLMQUYGBUSDIY-LJGDZFJRSA-N 0 0 455.551 4.230 50 0 biogenic JIAARN Cc1csc(SCc2c3ccccc3oc2C(=O)NCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000012879572 556123164 /nfs/dbraw/zinc/12/31/64/556123164.db2.gz SVWICARGTQNKGJ-UHFFFAOYSA-N 0 0 473.601 4.067 50 0 JIAARN CCS(=O)(=O)N1CCC(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)CC1 ZINC000012895884 556125349 /nfs/dbraw/zinc/12/53/49/556125349.db2.gz PDYUMFDZYOELFK-UHFFFAOYSA-N 0 0 483.659 4.448 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)[C@@H](c3ccco3)C2)cc1 ZINC000016044969 556125714 /nfs/dbraw/zinc/12/57/14/556125714.db2.gz KMUABLBNRTUQGW-LXFBAYGMSA-N 0 0 482.540 4.049 50 0 JIAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000024248013 556127840 /nfs/dbraw/zinc/12/78/40/556127840.db2.gz OVYBUEPLVHUWND-ZWKOTPCHSA-N 0 0 471.069 4.093 50 0 JIAARN CCOc1ccc(NC(=O)COc2cccc(Br)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000012914549 556133615 /nfs/dbraw/zinc/13/36/15/556133615.db2.gz UYBINZKNTPXBAX-UHFFFAOYSA-N 0 0 497.411 4.040 50 0 JIAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000024527937 556134347 /nfs/dbraw/zinc/13/43/47/556134347.db2.gz WOBYWRPGYZTQQZ-RUZDIDTESA-N 0 0 470.598 4.101 50 0 JIAARN O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000012915716 556134975 /nfs/dbraw/zinc/13/49/75/556134975.db2.gz MONSUOZKXGRTJX-GMAHTHKFSA-N 0 0 471.582 4.420 50 0 JIAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000024586148 556137113 /nfs/dbraw/zinc/13/71/13/556137113.db2.gz YHACMXFLBMPKON-UHFFFAOYSA-N 0 0 454.408 4.260 50 0 JIAARN CC(C)Oc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000024608657 556139666 /nfs/dbraw/zinc/13/96/66/556139666.db2.gz QSWZVYIFUHBGLG-UHFFFAOYSA-N 0 0 450.988 4.308 50 0 JIAARN CC[C@@H](C)N(CC(=O)N(CCOC)Cc1cccn1Cc1ccccc1)C(=O)c1ccco1 ZINC000016509893 556141884 /nfs/dbraw/zinc/14/18/84/556141884.db2.gz YCBWBSPRJUXRLW-OAQYLSRUSA-N 0 0 451.567 4.045 50 0 JIAARN CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613577 556142014 /nfs/dbraw/zinc/14/20/14/556142014.db2.gz MENQMOGJTFFNDM-UHFFFAOYSA-N 0 0 454.951 4.058 50 0 JIAARN CCCc1[n-]n(-c2ccccc2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(C2CCCCC2)C1=O ZINC000016570980 556143334 /nfs/dbraw/zinc/14/33/34/556143334.db2.gz YEWAITDEHXGZRC-UHFFFAOYSA-O 0 0 471.581 4.196 50 0 JIAARN CCCN1C(=O)C(c2c(C)[n-]n(-c3ccc(Cl)c(Cl)c3)c2=O)=C([n+]2cccc(CC)c2)C1=O ZINC000016571140 556143761 /nfs/dbraw/zinc/14/37/61/556143761.db2.gz VBBNZFRVVDLBDC-UHFFFAOYSA-O 0 0 486.379 4.190 50 0 JIAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000016591384 556145623 /nfs/dbraw/zinc/14/56/23/556145623.db2.gz BSFMLGRHEWZPKD-INIZCTEOSA-N 0 0 458.550 4.005 50 0 JIAARN CCCOc1ccc(-c2csc(NC(=O)c3ccc(=O)n(CCOc4ccccc4)n3)n2)cc1 ZINC000012929746 556147020 /nfs/dbraw/zinc/14/70/20/556147020.db2.gz DEZWBPFJCHEHPR-UHFFFAOYSA-N 0 0 476.558 4.487 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC(F)F)c(Cl)c2)s1 ZINC000012930625 556147502 /nfs/dbraw/zinc/14/75/02/556147502.db2.gz JNLXGDUATIWTCW-CYBMUJFWSA-N 0 0 450.916 4.103 50 0 JIAARN Cc1nc2ncnn2c(C)c1CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012932105 556148474 /nfs/dbraw/zinc/14/84/74/556148474.db2.gz AEMIFUOSUZQSDB-UHFFFAOYSA-N 0 0 468.439 4.193 50 0 JIAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2c3ccccc3[nH]c2-c2ccc(F)cc2)C1=O ZINC000012932808 556148986 /nfs/dbraw/zinc/14/89/86/556148986.db2.gz ZSMOAOYHRVUACI-NDEPHWFRSA-N 0 0 499.498 4.395 50 0 JIAARN O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)N[C@@H]1CCOc2ccccc21 ZINC000012933011 556149074 /nfs/dbraw/zinc/14/90/74/556149074.db2.gz WJKBEPKFEQFXTE-JOCHJYFZSA-N 0 0 453.542 4.212 50 0 JIAARN 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Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(C)cc3)c12 ZINC000017042332 556208957 /nfs/dbraw/zinc/20/89/57/556208957.db2.gz DGEMHMMZQDITMD-QGZVFWFLSA-N 0 0 466.588 4.389 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000013022211 556212101 /nfs/dbraw/zinc/21/21/01/556212101.db2.gz GIJOWLGZLCZSFN-UHFFFAOYSA-N 0 0 493.629 4.361 50 0 JIAARN COc1cccc(NC(=O)CN(C)C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)c1 ZINC000013022197 556212125 /nfs/dbraw/zinc/21/21/25/556212125.db2.gz BTUXGCHWUDJESW-BUHFOSPRSA-N 0 0 481.556 4.112 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc(Br)o1)C[C@H](C)CC2 ZINC000025391318 556212451 /nfs/dbraw/zinc/21/24/51/556212451.db2.gz LIAFWGLXGUWGJC-SNVBAGLBSA-N 0 0 470.341 4.201 50 0 JIAARN Cc1ccc(CN2c3ccc(Br)cc3[C@](O)(CC(=O)c3ccccc3O)C2=O)cc1 ZINC000017086663 556216685 /nfs/dbraw/zinc/21/66/85/556216685.db2.gz JMMSSIQXOYPING-XMMPIXPASA-N 0 0 466.331 4.471 50 0 JIAARN O=C(c1ccc(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)cc1)N1CCCC1 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CCOc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC(=O)[C@H]2NC(=O)c2ccccc2)cc1 ZINC000013038465 556236281 /nfs/dbraw/zinc/23/62/81/556236281.db2.gz KXXVCXJJHOFEBK-RPBOFIJWSA-N 0 0 466.541 4.462 50 0 JIAARN CC1=C2C(=NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2cccc(F)c2)N(c2ccc(C)cc2)N1 ZINC000013038490 556236739 /nfs/dbraw/zinc/23/67/39/556236739.db2.gz DODPQHGGCPUGBL-DNQXCXABSA-N 0 0 454.505 4.254 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000013039021 556238906 /nfs/dbraw/zinc/23/89/06/556238906.db2.gz RWSPOJCDKOKIJJ-CQSZACIVSA-N 0 0 473.378 4.020 50 0 JIAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C ZINC000026046133 556240264 /nfs/dbraw/zinc/24/02/64/556240264.db2.gz NCDVOOIVTMFDHE-UHFFFAOYSA-N 0 0 488.635 4.133 50 0 JIAARN COc1cc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc(Cl)c1OCC(C)C ZINC000013039506 556240392 /nfs/dbraw/zinc/24/03/92/556240392.db2.gz UYPMJSPELCEEBQ-UHFFFAOYSA-N 0 0 454.976 4.322 50 0 JIAARN CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000013039970 556242306 /nfs/dbraw/zinc/24/23/06/556242306.db2.gz AQAXODYDKHLJAU-GOSISDBHSA-N 0 0 473.591 4.251 50 0 JIAARN CSc1nc2nc(C)c(CCC(=O)O[C@H](C)C(=O)C34CC5CC(CC(C5)C3)C4)c(C)n2n1 ZINC000017218169 556242474 /nfs/dbraw/zinc/24/24/74/556242474.db2.gz DXUWLTNSHSHYNS-LJQCHSNASA-N 0 0 456.612 4.113 50 0 JIAARN CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000013040235 556242937 /nfs/dbraw/zinc/24/29/37/556242937.db2.gz YYJGBVFSZXYKIM-UHFFFAOYSA-N 0 0 463.509 4.311 50 0 JIAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)c1 ZINC000013040519 556243850 /nfs/dbraw/zinc/24/38/50/556243850.db2.gz WDFLODPRLBIWBD-UHFFFAOYSA-N 0 0 474.501 4.013 50 0 JIAARN O=C(Oc1cccc(Cl)c1Cl)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000013040760 556244519 /nfs/dbraw/zinc/24/45/19/556244519.db2.gz GQJDQFSUIJSYFM-UHFFFAOYSA-N 0 0 486.373 4.161 50 0 JIAARN COc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccccc4OC)nn32)cc1OC ZINC000017243677 556244714 /nfs/dbraw/zinc/24/47/14/556244714.db2.gz FNGZLTSGFNNKAU-DEOSSOPVSA-N 0 0 498.543 4.294 50 0 JIAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc(-c4cccnc4)nn32)cc1 ZINC000017243805 556245035 /nfs/dbraw/zinc/24/50/35/556245035.db2.gz OJHRAZQGUVJVJL-HSZRJFAPSA-N 0 0 468.517 4.285 50 0 JIAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(cc(F)cc4F)s3)cc2)C1 ZINC000017244819 556245625 /nfs/dbraw/zinc/24/56/25/556245625.db2.gz KFMQEMWTWUHSCA-STQMWFEESA-N 0 0 465.547 4.493 50 0 JIAARN CC(C)NC(=O)COC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000013042287 556248914 /nfs/dbraw/zinc/24/89/14/556248914.db2.gz HGFKPIADMOCZIU-UHFFFAOYSA-N 0 0 455.363 4.406 50 0 JIAARN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3F)nc2O)cc1 ZINC000017271414 556249892 /nfs/dbraw/zinc/24/98/92/556249892.db2.gz IEWPRDGASDVAIV-UHFFFAOYSA-N 0 0 493.557 4.367 50 0 JIAARN Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)NCCc2ccc(F)cc2)cc1 ZINC000013055919 556250490 /nfs/dbraw/zinc/25/04/90/556250490.db2.gz 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JIAARN C[C@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000026443912 556253840 /nfs/dbraw/zinc/25/38/40/556253840.db2.gz WBWZUSBVJJOURI-CYFREDJKSA-N 0 0 452.551 4.419 50 0 JIAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000013059035 556254807 /nfs/dbraw/zinc/25/48/07/556254807.db2.gz RJWDEGVBLMQDLJ-UHFFFAOYSA-N 0 0 454.514 4.299 50 0 JIAARN O=C(CN1CCN(c2ccccc2O)CC1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000013060969 556256329 /nfs/dbraw/zinc/25/63/29/556256329.db2.gz ZQQYEWYGAQNAJG-IBGZPJMESA-N 0 0 452.605 4.015 50 0 JIAARN Cn1c2ccccc2c(C(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1-c1ccccc1 ZINC000013062802 556258124 /nfs/dbraw/zinc/25/81/24/556258124.db2.gz PWLKKDQTEATVBC-LJQANCHMSA-N 0 0 456.498 4.213 50 0 JIAARN CCOc1ccccc1NC(=O)CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000017315970 556258073 /nfs/dbraw/zinc/25/80/73/556258073.db2.gz CHUGBHMUQRPACO-UHFFFAOYSA-N 0 0 455.927 4.304 50 0 JIAARN O=C(CN1C(=S)N=NC1c1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000017356590 556259476 /nfs/dbraw/zinc/25/94/76/556259476.db2.gz DUSZWFOIAXYKKP-UHFFFAOYSA-N 0 0 475.643 4.229 50 0 JIAARN O=C(c1ccc2c(c1)[nH]c(=S)n(-c1ccc(F)cc1)c2=O)N1CCN(c2ccccc2)CC1 ZINC000017358277 556259747 /nfs/dbraw/zinc/25/97/47/556259747.db2.gz GURMWEGFCIEXKK-UHFFFAOYSA-N 0 0 460.534 4.150 50 0 JIAARN COc1cc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000026771935 556261203 /nfs/dbraw/zinc/26/12/03/556261203.db2.gz HVOLBQUGFVRMJR-BQLPZSRESA-N 0 0 495.572 4.349 50 0 biogenic JIAARN Cc1nn(C)c(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1 ZINC000017671051 556263830 /nfs/dbraw/zinc/26/38/30/556263830.db2.gz LEESJLLVMSXFOB-UHFFFAOYSA-N 0 0 485.516 4.068 50 0 JIAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c(C)c1 ZINC000013068277 556264410 /nfs/dbraw/zinc/26/44/10/556264410.db2.gz HTVNEPORGBEMJV-UHFFFAOYSA-N 0 0 461.595 4.493 50 0 JIAARN CCOC(=O)c1c(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)oc(C)c1C(C)=O ZINC000017726814 556264856 /nfs/dbraw/zinc/26/48/56/556264856.db2.gz KODDRKRZQSNJGQ-UHFFFAOYSA-N 0 0 459.470 4.100 50 0 JIAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000026963226 556266618 /nfs/dbraw/zinc/26/66/18/556266618.db2.gz IDKVXUUFZOMOSW-UHFFFAOYSA-N 0 0 455.894 4.140 50 0 JIAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC(=O)COc2ccccc2F)cc1 ZINC000026963701 556266903 /nfs/dbraw/zinc/26/69/03/556266903.db2.gz AAFPJQUDGDSSOE-UHFFFAOYSA-N 0 0 497.519 4.171 50 0 JIAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC(=O)c2cccs2)cc1 ZINC000026963582 556266908 /nfs/dbraw/zinc/26/69/08/556266908.db2.gz APGQCVDQDUNKMS-UHFFFAOYSA-N 0 0 455.532 4.328 50 0 JIAARN CCCn1c(CCC(=O)Nc2ccc(C)cc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000013070184 556267406 /nfs/dbraw/zinc/26/74/06/556267406.db2.gz ZKNXKOLVQQZBDA-UHFFFAOYSA-N 0 0 454.596 4.111 50 0 JIAARN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000026982897 556267879 /nfs/dbraw/zinc/26/78/79/556267879.db2.gz XQJZYCPORCMQIA-UHFFFAOYSA-N 0 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C[C@@H](OC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)C(=O)Nc1cccc(Cl)c1 ZINC000008707962 569594960 /nfs/dbraw/zinc/59/49/60/569594960.db2.gz JZNHJOSJZFGINQ-CQSZACIVSA-N 0 0 475.954 4.005 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CSc3nnnn3-c3cccc(F)c3)[C@H](c3ccco3)C2)cc1 ZINC000008709133 569595380 /nfs/dbraw/zinc/59/53/80/569595380.db2.gz XSPRBMQVAKBILL-FQEVSTJZSA-N 0 0 462.510 4.173 50 0 JIAARN COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000057312391 569596285 /nfs/dbraw/zinc/59/62/85/569596285.db2.gz XGQPJEBRDCTCCI-SANMLTNESA-N 0 0 487.556 4.454 50 0 JIAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000008718652 569597180 /nfs/dbraw/zinc/59/71/80/569597180.db2.gz QUGISPZUYZYGKM-DCFHFQCYSA-N 0 0 459.546 4.087 50 0 JIAARN CCC[C@H](CNC(=O)CSc1nnc(-c2ccco2)n1N)c1ccc(Cl)cc1Cl ZINC000008719124 569597360 /nfs/dbraw/zinc/59/73/60/569597360.db2.gz MUEXRMIOTRKCJZ-GFCCVEGCSA-N 0 0 454.383 4.351 50 0 JIAARN 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478.014 4.294 50 0 JIAARN C[C@@]1(CCc2ccccc2)NC(=O)N(Cc2nnc(-c3ccc(Br)s3)o2)C1=O ZINC000008735500 569602046 /nfs/dbraw/zinc/60/20/46/569602046.db2.gz GRNPWETXBGPSOA-IBGZPJMESA-N 0 0 461.341 4.004 50 0 JIAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000032969303 569603473 /nfs/dbraw/zinc/60/34/73/569603473.db2.gz NPRHLKLPNSTYRN-UHFFFAOYSA-N 0 0 479.524 4.131 50 0 JIAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(Sc4ccc(C)cc4)nn3)C2)cc1OC ZINC000032974818 569605805 /nfs/dbraw/zinc/60/58/05/569605805.db2.gz SNYJNJXZKFPSOM-FQEVSTJZSA-N 0 0 478.618 4.486 50 0 JIAARN COc1cccc(Sc2ccc(N3CCC[C@@H](C(=O)NCc4ccc(OC)c(OC)c4)C3)nn2)c1 ZINC000032974835 569605871 /nfs/dbraw/zinc/60/58/71/569605871.db2.gz BGVQUGZHIRYSNL-LJQANCHMSA-N 0 0 494.617 4.186 50 0 JIAARN O=C([C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1)N1CCCCCC1 ZINC000032975444 569606171 /nfs/dbraw/zinc/60/61/71/569606171.db2.gz UPKUYXCFMVZXBN-JOCHJYFZSA-N 0 0 484.666 4.028 50 0 JIAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2OC)O3)cc1 ZINC000032983786 569607065 /nfs/dbraw/zinc/60/70/65/569607065.db2.gz LVTBQPWOSYTORN-UQQQWYQISA-N 0 0 458.514 4.438 50 0 biogenic JIAARN CCN(CCCNC(=O)C1CCN(c2ncnc3c4cccnc4sc32)CC1)c1ccccc1 ZINC000032985952 569608650 /nfs/dbraw/zinc/60/86/50/569608650.db2.gz RHTLDABFNWOZPX-UHFFFAOYSA-N 0 0 474.634 4.489 50 0 JIAARN CSc1ccc(CNC(=O)CSCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000032987184 569609271 /nfs/dbraw/zinc/60/92/71/569609271.db2.gz ZMEKQQMVZJDOKU-UHFFFAOYSA-N 0 0 462.597 4.201 50 0 JIAARN CCOC(=O)c1sc(NC(=O)CC/C(C)=C/Cc2c(O)c3c(c(C)c2OC)COC3=O)nc1C ZINC000062001391 569610172 /nfs/dbraw/zinc/61/01/72/569610172.db2.gz DHRYLHDXBONRQV-KPKJPENVSA-N 0 0 488.562 4.229 50 0 biogenic JIAARN Cc1ccc(C)c(NC(=O)N2CCN(c3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)c1 ZINC000032996143 569610506 /nfs/dbraw/zinc/61/05/06/569610506.db2.gz KBNFXRWQEMYXLY-UHFFFAOYSA-N 0 0 474.590 4.097 50 0 JIAARN CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCN(CCc3ccccc3)CC2)ccc1Cl ZINC000062329044 569610536 /nfs/dbraw/zinc/61/05/36/569610536.db2.gz NMTBHFNUWFGQAJ-UHFFFAOYSA-N 0 0 498.048 4.166 50 0 JIAARN Cc1ccc(-c2nc(-c3cccc(C(=O)N4CCOCC4)c3)no2)cc1NC(=O)c1ccco1 ZINC000032996632 569610804 /nfs/dbraw/zinc/61/08/04/569610804.db2.gz JGELUOHYAOHCSI-UHFFFAOYSA-N 0 0 458.474 4.030 50 0 JIAARN Cc1ccc(NC(=O)N[C@@H](C)COCC(F)(F)F)cc1NC(=O)N[C@H](C)COCC(F)(F)F ZINC000062569522 569611278 /nfs/dbraw/zinc/61/12/78/569611278.db2.gz GMGJATGWIVIBMH-QWHCGFSZSA-N 0 0 488.429 4.173 50 0 JIAARN CCc1cc2c(nc(SC[C@H]3CCOC3)n(CCc3ccc(OC)c(OC)c3)c2=O)s1 ZINC000062582207 569611855 /nfs/dbraw/zinc/61/18/55/569611855.db2.gz MRCXKPITUVFVQN-INIZCTEOSA-N 0 0 460.621 4.409 50 0 JIAARN CCC(=O)Nc1cc2ccccc2cc1C(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000062591987 569612636 /nfs/dbraw/zinc/61/26/36/569612636.db2.gz WLZRZLKKRPGVNT-UHFFFAOYSA-N 0 0 499.571 4.205 50 0 JIAARN COc1cccc([C@H](CNC(=O)[C@H]2COc3ccccc3O2)c2c[nH]c3ccccc32)c1OC ZINC000033000428 569614003 /nfs/dbraw/zinc/61/40/03/569614003.db2.gz UBONLNQHRMBWTO-NBGIEHNGSA-N 0 0 458.514 4.273 50 0 JIAARN COc1ccccc1CCn1c(C)cc(=O)c(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)c1C ZINC000064120717 569616272 /nfs/dbraw/zinc/61/62/72/569616272.db2.gz ONMFNJKQGCQNBW-MHZLTWQESA-N 0 0 499.655 4.032 50 0 JIAARN Cc1c(-c2nc(-c3ccccc3)no2)sc2ncn(CC(=O)Nc3ccccc3F)c(=O)c12 ZINC000064439101 569616654 /nfs/dbraw/zinc/61/66/54/569616654.db2.gz JWLLRGHKCMMWNG-UHFFFAOYSA-N 0 0 461.478 4.261 50 0 JIAARN Cc1c(-c2nc(-c3ccc(F)cc3)no2)sc2ncn(CC(=O)Nc3cccc(F)c3)c(=O)c12 ZINC000064439218 569616775 /nfs/dbraw/zinc/61/67/75/569616775.db2.gz KVRNCFPYULUGCU-UHFFFAOYSA-N 0 0 479.468 4.400 50 0 JIAARN O=C(CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1)N1CCN(c2ccccc2F)CC1 ZINC000033011532 569617088 /nfs/dbraw/zinc/61/70/88/569617088.db2.gz LLJFPBGDAOIKGJ-UHFFFAOYSA-N 0 0 492.001 4.024 50 0 JIAARN CCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2cccc(OC)c2)c1=O ZINC000033012262 569617438 /nfs/dbraw/zinc/61/74/38/569617438.db2.gz JZBRORZPCNKKKP-UHFFFAOYSA-N 0 0 470.529 4.368 50 0 JIAARN CC(C)(C)NC(=O)N1CCN(c2nn3c(nc(-c4ccccc4)c3NC(C)(C)C)s2)CC1 ZINC000064450989 569617538 /nfs/dbraw/zinc/61/75/38/569617538.db2.gz DRMGCSPISHVHFN-UHFFFAOYSA-N 0 0 455.632 4.298 50 0 JIAARN COC(=O)c1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000064558323 569618738 /nfs/dbraw/zinc/61/87/38/569618738.db2.gz WZBAUNGRDRZTTP-HSZRJFAPSA-N 0 0 491.565 4.417 50 0 JIAARN COc1ccccc1CNC(=O)C1=C(c2ccccc2)c2cc(Cl)ccc2S(=O)(=O)N1C ZINC000033022330 569619302 /nfs/dbraw/zinc/61/93/02/569619302.db2.gz XELWOJYYTBTBCP-UHFFFAOYSA-N 0 0 468.962 4.059 50 0 JIAARN CN1C(C(=O)NCc2ccc(F)cc2)=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O ZINC000033022343 569619324 /nfs/dbraw/zinc/61/93/24/569619324.db2.gz UYUWUVAXBDDJSQ-UHFFFAOYSA-N 0 0 456.926 4.189 50 0 JIAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4cccc(Cl)c4)s3)CC2)cc1 ZINC000033024590 569620059 /nfs/dbraw/zinc/62/00/59/569620059.db2.gz GSBDQLHQHDFHAZ-UHFFFAOYSA-N 0 0 483.981 4.243 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C4CCCCC4)CC3)c(C(=O)[O-])c2)cc1C ZINC000064580609 569620613 /nfs/dbraw/zinc/62/06/13/569620613.db2.gz KOYZUDBVNMIBBZ-UHFFFAOYSA-N 0 0 471.623 4.257 50 0 JIAARN COc1ccccc1C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)CC1 ZINC000064589561 569620974 /nfs/dbraw/zinc/62/09/74/569620974.db2.gz VKOPJINXHQIPLY-UHFFFAOYSA-N 0 0 463.509 4.107 50 0 JIAARN O=C(CSc1nnc2n1c1ccsc1c(=O)n2Cc1cccs1)Nc1cc(F)ccc1F ZINC000064590583 569621566 /nfs/dbraw/zinc/62/15/66/569621566.db2.gz GPWZTMJLEOJNEM-UHFFFAOYSA-N 0 0 489.554 4.225 50 0 JIAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000033053155 569621586 /nfs/dbraw/zinc/62/15/86/569621586.db2.gz IEZOSDQGNMKEGJ-UHFFFAOYSA-N 0 0 494.661 4.305 50 0 JIAARN O=C(CSc1nnc2n1c1ccsc1c(=O)n2Cc1ccco1)Nc1ccc(F)c(Cl)c1 ZINC000064590693 569621650 /nfs/dbraw/zinc/62/16/50/569621650.db2.gz JEXBPPUQBCLZNW-UHFFFAOYSA-N 0 0 489.941 4.270 50 0 JIAARN Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3cc(C)ccc3C)c(=O)c3ccc(C)nc32)c(C)c1 ZINC000064591189 569621872 /nfs/dbraw/zinc/62/18/72/569621872.db2.gz QAJJIPMEPCAVMA-UHFFFAOYSA-N 0 0 489.597 4.410 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)c2cn(CC(=O)Nc3cc(C)cc(C)c3)c3nc(C)ccc3c2=O)c1 ZINC000064591193 569621889 /nfs/dbraw/zinc/62/18/89/569621889.db2.gz BJIUIYHRKCMAGB-UHFFFAOYSA-N 0 0 489.597 4.410 50 0 JIAARN Cc1ccc(-c2cc(NC(=O)c3ccccc3)c(=O)n(CC(=O)Nc3cc(F)cc(F)c3)n2)cc1 ZINC000064605149 569622605 /nfs/dbraw/zinc/62/26/05/569622605.db2.gz QYOCGPOUKUGAII-UHFFFAOYSA-N 0 0 474.467 4.388 50 0 JIAARN Cc1cccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCc4ccccc4C3)c3ccccc32)c1C ZINC000064605417 569622651 /nfs/dbraw/zinc/62/26/51/569622651.db2.gz HQLKGVLVGGXDIP-UHFFFAOYSA-N 0 0 465.553 4.456 50 0 JIAARN COc1ccccc1N1CCN(c2ccnc(SCC(=O)Nc3cc(C)ccc3C)n2)CC1 ZINC000033309891 569622749 /nfs/dbraw/zinc/62/27/49/569622749.db2.gz JKVDUIQXTLHWNB-UHFFFAOYSA-N 0 0 463.607 4.159 50 0 JIAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3cccc(Br)c3)n2)cc1 ZINC000064605301 569622734 /nfs/dbraw/zinc/62/27/34/569622734.db2.gz BYHAOCBXQJBVRD-UHFFFAOYSA-N 0 0 483.366 4.214 50 0 JIAARN COc1ccc(CCNC(=O)C2CCN(c3cc(Oc4cccc(C)c4C)ncn3)CC2)cc1OC ZINC000033312036 569622780 /nfs/dbraw/zinc/62/27/80/569622780.db2.gz NHIJWFQKQVRTPV-UHFFFAOYSA-N 0 0 490.604 4.478 50 0 JIAARN O=C(NCc1ccccc1F)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000064611633 569623119 /nfs/dbraw/zinc/62/31/19/569623119.db2.gz KYUULYDFUZEWEK-GOSISDBHSA-N 0 0 462.550 4.324 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCCC5)c4c3)CC2)c(C)c1 ZINC000064612162 569623390 /nfs/dbraw/zinc/62/33/90/569623390.db2.gz XVPJINJCBXXOKN-UHFFFAOYSA-N 0 0 494.661 4.454 50 0 JIAARN CCN(CC)C(=O)c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)cc12 ZINC000064612330 569623483 /nfs/dbraw/zinc/62/34/83/569623483.db2.gz WEKDWIYMUZHQMR-UHFFFAOYSA-N 0 0 468.623 4.001 50 0 JIAARN COC(=O)c1ccccc1NC(=O)CSc1nc2c3cccnc3sc2c(=O)n1CC(C)C ZINC000064699874 569624020 /nfs/dbraw/zinc/62/40/20/569624020.db2.gz HTWPXFHLMDVMMQ-UHFFFAOYSA-N 0 0 482.587 4.180 50 0 JIAARN COc1cccc(CNC(=O)CSc2nc3c4cccnc4sc3c(=O)n2CC(C)C)c1 ZINC000064699883 569624050 /nfs/dbraw/zinc/62/40/50/569624050.db2.gz DOYFATPSKGQGTB-UHFFFAOYSA-N 0 0 468.604 4.079 50 0 JIAARN COC(=O)c1ccc(NC(=O)CSc2nc3c4cccnc4sc3c(=O)n2CC(C)C)cc1 ZINC000064699890 569624178 /nfs/dbraw/zinc/62/41/78/569624178.db2.gz LEZJSPUWPCAEQI-UHFFFAOYSA-N 0 0 482.587 4.180 50 0 JIAARN COc1ccc(-c2nc3sc(N(C)CC(=O)NCCCOC(C)C)nn3c2NC(C)(C)C)cc1 ZINC000064703575 569624278 /nfs/dbraw/zinc/62/42/78/569624278.db2.gz ZJGNGJXDDBKGHR-UHFFFAOYSA-N 0 0 488.658 4.044 50 0 JIAARN COc1cc(OC)cc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000033331981 569624668 /nfs/dbraw/zinc/62/46/68/569624668.db2.gz HKUZFECCIHEVOM-SANMLTNESA-N 0 0 468.598 4.066 50 0 JIAARN C[C@H](Cc1ccco1)NC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704436 569624980 /nfs/dbraw/zinc/62/49/80/569624980.db2.gz JZVWECJHQFTSHD-MRXNPFEDSA-N 0 0 466.611 4.445 50 0 JIAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc(-c4nc(-c5ccccc5)no4)c3)CC2)cc1 ZINC000064747770 569626165 /nfs/dbraw/zinc/62/61/65/569626165.db2.gz KUQVLOQAENGCGA-UHFFFAOYSA-N 0 0 488.569 4.117 50 0 JIAARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@@H](c2c(O)ccc4ccccc42)OCC3)c(=O)n(C)c1=O ZINC000064788093 569628179 /nfs/dbraw/zinc/62/81/79/569628179.db2.gz WWGOMNQWBQPWCR-RUZDIDTESA-N 0 0 487.943 4.338 50 0 JIAARN CC(C)Oc1ccccc1[C@@H]1OCC(C)(C)n2c(-c3ccccc3)c3c(c21)n(C)c(=O)n(C)c3=O ZINC000064788153 569628272 /nfs/dbraw/zinc/62/82/72/569628272.db2.gz GIXYRJPHRAVIDT-VWLOTQADSA-N 0 0 473.573 4.348 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000064789654 569628489 /nfs/dbraw/zinc/62/84/89/569628489.db2.gz FHCINAZMCUSRKF-UHFFFAOYSA-N 0 0 477.542 4.038 50 0 JIAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCN(C(=O)c4ccccc4)CC3)o2)c1 ZINC000064789638 569628491 /nfs/dbraw/zinc/62/84/91/569628491.db2.gz CDIOEFPNNQHSRG-UHFFFAOYSA-N 0 0 487.581 4.445 50 0 JIAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(N2CCN(C(=O)c3ccco3)CC2)o1 ZINC000064789632 569628510 /nfs/dbraw/zinc/62/85/10/569628510.db2.gz BCLNSKGPHWZNNM-UHFFFAOYSA-N 0 0 477.542 4.038 50 0 JIAARN COc1ccc(C(=O)Oc2ccc(Nc3cc(C)nc4nc(-c5cccnc5)nn43)cc2)cc1OC ZINC000064791251 569628714 /nfs/dbraw/zinc/62/87/14/569628714.db2.gz DUQJIOGFCDHJSO-UHFFFAOYSA-N 0 0 482.500 4.475 50 0 JIAARN CC(=O)c1cccc(NC(=O)Cn2c3ccccc3nc(N(Cc3ccc(C)cc3)C(C)=O)c2=O)c1 ZINC000064791367 569628814 /nfs/dbraw/zinc/62/88/14/569628814.db2.gz KICGUYJGIUYJOY-UHFFFAOYSA-N 0 0 482.540 4.099 50 0 JIAARN CC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2n(CC(=O)Nc2cc(C)ccc2C)c1=O ZINC000064791429 569628929 /nfs/dbraw/zinc/62/89/29/569628929.db2.gz JSXAXXNYEVBKTG-UHFFFAOYSA-N 0 0 472.520 4.344 50 0 JIAARN O=C(CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccc(Cl)cc1)NCc1ccccc1F ZINC000064792944 569629369 /nfs/dbraw/zinc/62/93/69/569629369.db2.gz OZVFBUMIFABLAI-QHCPKHFHSA-N 0 0 474.927 4.233 50 0 JIAARN O=C(CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccc(Cl)cc1)NCc1ccccc1F ZINC000064792951 569629404 /nfs/dbraw/zinc/62/94/04/569629404.db2.gz OZVFBUMIFABLAI-HSZRJFAPSA-N 0 0 474.927 4.233 50 0 JIAARN O=C(CN1c2nnnn2[C@@H](c2ccc(Cl)cc2)C=C1c1ccccc1)NCc1ccc(F)cc1 ZINC000064793638 569629700 /nfs/dbraw/zinc/62/97/00/569629700.db2.gz XZKJOQBOFVTUOZ-HSZRJFAPSA-N 0 0 474.927 4.233 50 0 JIAARN CCc1cccc2c(C=C3NC(=S)N(c4ccc(C)c(C)c4)C3=O)cn(CC(=O)NCCOC)c21 ZINC000033733722 569632604 /nfs/dbraw/zinc/63/26/04/569632604.db2.gz POJVKNGJAMKLDB-OEAKJJBVSA-N 0 0 490.629 4.257 50 0 JIAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccccc1 ZINC000064815573 569632675 /nfs/dbraw/zinc/63/26/75/569632675.db2.gz DWOYSQSCOWMUSI-SANMLTNESA-N 0 0 456.571 4.343 50 0 JIAARN CC(=O)Nc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000064815799 569632860 /nfs/dbraw/zinc/63/28/60/569632860.db2.gz LECIVUCTBBPTFI-RUZDIDTESA-N 0 0 477.590 4.048 50 0 JIAARN Cc1cccc(CNC(=O)[C@@]2(C)Cn3nc(-c4ccco4)cc3C(=O)N2c2ccccc2C)c1 ZINC000064816077 569633047 /nfs/dbraw/zinc/63/30/47/569633047.db2.gz WYFRDQRXSPCLLY-HHHXNRCGSA-N 0 0 454.530 4.495 50 0 JIAARN Cc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1C ZINC000064816213 569633347 /nfs/dbraw/zinc/63/33/47/569633347.db2.gz CCTRLZRWGFYTJN-HHHXNRCGSA-N 0 0 454.530 4.495 50 0 JIAARN CCc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000064816205 569633390 /nfs/dbraw/zinc/63/33/90/569633390.db2.gz ALGKVIHLJDFPBJ-HHHXNRCGSA-N 0 0 454.530 4.441 50 0 JIAARN Cc1ccccc1CNC(=O)[C@]1(C)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccccc1F ZINC000064816376 569633475 /nfs/dbraw/zinc/63/34/75/569633475.db2.gz CFASVZFQMWSRFL-MHZLTWQESA-N 0 0 472.520 4.322 50 0 JIAARN C[C@]1(C(=O)NCc2cccc(F)c2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccccc1 ZINC000064816384 569633488 /nfs/dbraw/zinc/63/34/88/569633488.db2.gz VODSYXNLKCUXLR-AREMUKBSSA-N 0 0 458.493 4.013 50 0 JIAARN CCOc1ccccc1NC(=O)CSc1nc2c(C)nn(CC)c2c(=O)n1CCc1ccccc1 ZINC000064817078 569634147 /nfs/dbraw/zinc/63/41/47/569634147.db2.gz 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ZINC000035533466 569701153 /nfs/dbraw/zinc/70/11/53/569701153.db2.gz RJWBUHQMEJHQDB-CQSZACIVSA-N 0 0 471.608 4.230 50 0 JIAARN CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc1C ZINC000072271722 569701163 /nfs/dbraw/zinc/70/11/63/569701163.db2.gz LQNASFXRRKOAGN-UHFFFAOYSA-N 0 0 491.569 4.171 50 0 JIAARN COc1ccccc1NC(=O)CSc1ncnc2nc(N3CCc4ccccc4C3)sc21 ZINC000035533860 569701258 /nfs/dbraw/zinc/70/12/58/569701258.db2.gz DIFYVBQCWYXVGO-UHFFFAOYSA-N 0 0 463.588 4.388 50 0 JIAARN C[C@H](CCC(=O)N1CCOCC1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072325772 569702264 /nfs/dbraw/zinc/70/22/64/569702264.db2.gz FGYUBFCPFZQMKU-BJICXTOASA-N 0 0 461.687 4.252 50 0 biogenic JIAARN COc1ccccc1Cn1c(=O)c2sccc2nc1SCC(=O)N(C)c1ccc(F)cc1 ZINC000072328247 569702342 /nfs/dbraw/zinc/70/23/42/569702342.db2.gz QZMNZDLSGAULFT-UHFFFAOYSA-N 0 0 469.563 4.409 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C)c(F)c4)CC3)c(C)s2)no1 ZINC000035553894 569702629 /nfs/dbraw/zinc/70/26/29/569702629.db2.gz SMUAGACEOIIZON-UHFFFAOYSA-N 0 0 492.598 4.156 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)c(C)s2)no1 ZINC000035555373 569702841 /nfs/dbraw/zinc/70/28/41/569702841.db2.gz BOLKIOUMFGUIGA-OAHLLOKOSA-N 0 0 495.026 4.416 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cc(C)ccc4C)C3)c(C)s2)no1 ZINC000035555379 569702851 /nfs/dbraw/zinc/70/28/51/569702851.db2.gz KAEZRTVKGFXCJO-QGZVFWFLSA-N 0 0 474.608 4.071 50 0 JIAARN Cc1nc(-c2cccc(S(=O)(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2)no1 ZINC000035556745 569703297 /nfs/dbraw/zinc/70/32/97/569703297.db2.gz QWGAFFOYUCJFEL-UHFFFAOYSA-N 0 0 474.586 4.141 50 0 JIAARN COc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccc(C)c(F)c4)CC3)n2)cc1OC ZINC000035562394 569704847 /nfs/dbraw/zinc/70/48/47/569704847.db2.gz IMVKDJLDRPNCSN-UHFFFAOYSA-N 0 0 454.502 4.052 50 0 JIAARN COc1cccc2cc(C(=O)N3CCC[C@@H](c4nnc(-c5ccccc5F)s4)C3)c(=O)oc21 ZINC000077177502 569704976 /nfs/dbraw/zinc/70/49/76/569704976.db2.gz QNGPEXZLVCBDKQ-OAHLLOKOSA-N 0 0 465.506 4.479 50 0 JIAARN COc1ccc(N(Cc2cccs2)C(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)cc1 ZINC000035673265 569706489 /nfs/dbraw/zinc/70/64/89/569706489.db2.gz CBEKPSBLANCKEO-UHFFFAOYSA-N 0 0 455.557 4.104 50 0 JIAARN CCCCN1C(=O)N[C@@H](c2ccc(NC(=O)c3ccc(OC)cc3)cc2)C(C(=O)OCCOC)=C1C ZINC000035707961 569707598 /nfs/dbraw/zinc/70/75/98/569707598.db2.gz QLYJKJIZOFWCMA-DEOSSOPVSA-N 0 0 495.576 4.278 50 0 JIAARN CCCN1C(=O)N[C@@H](c2cccc(NC(=O)Nc3cc(OC)cc(OC)c3)c2)C(C(=O)OC)=C1C ZINC000035712416 569708007 /nfs/dbraw/zinc/70/80/07/569708007.db2.gz MFKXOMASBLOIOP-QFIPXVFZSA-N 0 0 482.537 4.271 50 0 JIAARN CCCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(Cc2ccccc2)C1=O ZINC000035712683 569708016 /nfs/dbraw/zinc/70/80/16/569708016.db2.gz SLPOLDMGYCEVNK-UHFFFAOYSA-O 0 0 499.978 4.409 50 0 JIAARN O=C(Nc1nnc(-c2ccccc2)s1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000035723521 569708262 /nfs/dbraw/zinc/70/82/62/569708262.db2.gz BJXMJHUGRCFRBG-INIZCTEOSA-N 0 0 457.353 4.211 50 0 JIAARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000035728967 569708911 /nfs/dbraw/zinc/70/89/11/569708911.db2.gz VNUWSYJSCDMWRM-OPGJMIRHSA-N 0 0 483.937 4.410 50 0 JIAARN Cn1c2ccccc2c(C(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1-c1ccccc1 ZINC000084311390 569709010 /nfs/dbraw/zinc/70/90/10/569709010.db2.gz FTEPBJCJXSOROF-WOJBJXKFSA-N 0 0 472.541 4.137 50 0 JIAARN CCN1C(=S)N[C@@H](c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)C(C(=O)OC(C)C)=C1C ZINC000035729780 569709211 /nfs/dbraw/zinc/70/92/11/569709211.db2.gz XTFYQDJKFQKQAL-NRFANRHFSA-N 0 0 491.610 4.103 50 0 JIAARN CCOC(=O)C1=C(C)N(CC)C(=S)N[C@@H]1c1cccc(NC(=O)c2c(OC)cccc2OC)c1 ZINC000035730454 569709341 /nfs/dbraw/zinc/70/93/41/569709341.db2.gz XKZZPFZFPOSIJN-JOCHJYFZSA-N 0 0 483.590 4.044 50 0 JIAARN COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)CC(C)(C)C ZINC000035770242 569710596 /nfs/dbraw/zinc/71/05/96/569710596.db2.gz VYYIYSMGLITQBW-UHFFFAOYSA-N 0 0 467.559 4.013 50 0 JIAARN COc1ccc(CN(Cc2ccco2)C(=O)Nc2c(C)cccc2C)cc1OS(C)(=O)=O ZINC000035776886 569710956 /nfs/dbraw/zinc/71/09/56/569710956.db2.gz RSOADIIHHAUZJN-UHFFFAOYSA-N 0 0 458.536 4.478 50 0 JIAARN Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3ccccc3Cl)C2)c(C)c1C(=O)OC(C)C ZINC000085621373 569711325 /nfs/dbraw/zinc/71/13/25/569711325.db2.gz SBSPJTKOFJAYMN-SFHVURJKSA-N 0 0 459.974 4.019 50 0 JIAARN O=C(Nc1ccc(-c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)cc1)c1ccco1 ZINC000085641876 569711578 /nfs/dbraw/zinc/71/15/78/569711578.db2.gz IAQOUBGPJAUHLF-UHFFFAOYSA-N 0 0 464.503 4.033 50 0 JIAARN CC(C)N(CC(=O)Nc1nc(CC(=O)N[C@@H](C)CCc2ccccc2)cs1)C(=O)c1ccccc1 ZINC000035809229 569712186 /nfs/dbraw/zinc/71/21/86/569712186.db2.gz PWRARHITAXZIOC-FQEVSTJZSA-N 0 0 492.645 4.312 50 0 JIAARN CCNC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)[C@H](C)CC ZINC000035809072 569712211 /nfs/dbraw/zinc/71/22/11/569712211.db2.gz UFIHHXBEMMQWHW-GOSISDBHSA-N 0 0 459.587 4.007 50 0 JIAARN CCOC(=O)Cc1ccc(NC(=O)N2CCc3c(sc4nc(-c5ccc(OC)cc5)nn43)C2)cc1 ZINC000085651383 569713153 /nfs/dbraw/zinc/71/31/53/569713153.db2.gz SZFPJXJBXFZZIP-UHFFFAOYSA-N 0 0 491.573 4.162 50 0 JIAARN CN1C2=C(C(=O)N(Cc3ccc4c(c3)OCO4)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035834789 569713349 /nfs/dbraw/zinc/71/33/49/569713349.db2.gz DWCBHDKVHHXGQU-VWLOTQADSA-N 0 0 469.497 4.200 50 0 JIAARN Cc1ccc(Cn2c(C(=O)N3CCN(C(=O)COc4ccccc4)[C@H](C)C3)cc3ccoc32)cc1 ZINC000035843940 569714528 /nfs/dbraw/zinc/71/45/28/569714528.db2.gz KZAPRSTTYOFOOG-OAQYLSRUSA-N 0 0 471.557 4.343 50 0 JIAARN Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)ccc1Br ZINC000085690543 569714921 /nfs/dbraw/zinc/71/49/21/569714921.db2.gz XLWXWAUFTLNPAH-MRXNPFEDSA-N 0 0 468.355 4.034 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(F)cc2)c1C ZINC000085712836 569715300 /nfs/dbraw/zinc/71/53/00/569715300.db2.gz ULVVBFLJTWEZTG-UHFFFAOYSA-N 0 0 488.537 4.067 50 0 JIAARN COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccco3)c3cc(OC)c4c(c3)OCCO4)c21 ZINC000085879911 569716453 /nfs/dbraw/zinc/71/64/53/569716453.db2.gz MJEXGPGNOOMBRR-GOSISDBHSA-N 0 0 462.502 4.388 50 0 biogenic JIAARN Cc1c(-c2nc(-c3ccccc3Cl)no2)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 ZINC000085942181 569716676 /nfs/dbraw/zinc/71/66/76/569716676.db2.gz XLKKUOVOOPEFLU-UHFFFAOYSA-N 0 0 469.954 4.149 50 0 JIAARN Cc1c(-c2nc(-c3cccc(Cl)c3)no2)sc2ncn(CC(=O)NC(C)(C)C)c(=O)c12 ZINC000085942254 569716686 /nfs/dbraw/zinc/71/66/86/569716686.db2.gz IFVJYBHGZMGFAY-UHFFFAOYSA-N 0 0 457.943 4.052 50 0 JIAARN CCOc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)ccc1OC ZINC000086057050 569716922 /nfs/dbraw/zinc/71/69/22/569716922.db2.gz VBYUAYSMSHGVHA-KRWDZBQOSA-N 0 0 451.548 4.252 50 0 JIAARN Cc1cc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCOCC2)n3C(C)C)ccc1Cl ZINC000086048514 569716963 /nfs/dbraw/zinc/71/69/63/569716963.db2.gz QNAOUUMYVFQUGX-UHFFFAOYSA-N 0 0 456.974 4.429 50 0 JIAARN CCc1nc2sc3c(c2c(N2CCN(C(=O)Cc4ccc(OC)cc4)CC2)n1)CCCC3 ZINC000035865174 569717081 /nfs/dbraw/zinc/71/70/81/569717081.db2.gz FOWFFAYQSBUEQS-UHFFFAOYSA-N 0 0 450.608 4.032 50 0 JIAARN CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000086077543 569717880 /nfs/dbraw/zinc/71/78/80/569717880.db2.gz IMSGECWMMUQLGM-QGZVFWFLSA-N 0 0 450.539 4.291 50 0 JIAARN O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C(=O)c3ccco3)C[C@H]12 ZINC000035871381 569718637 /nfs/dbraw/zinc/71/86/37/569718637.db2.gz UHRKSLUBDHNYGZ-FYYLOGMGSA-N 0 0 497.517 4.161 50 0 JIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(Cc2ccccc2F)C(=O)[C@H](C)O3)cc1OC ZINC000035884592 569720158 /nfs/dbraw/zinc/72/01/58/569720158.db2.gz HMOKLWIFVKHXCU-INIZCTEOSA-N 0 0 464.493 4.405 50 0 JIAARN O=C(NCCCc1ccccc1)N1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)[nH]2)CC1 ZINC000095469655 569723315 /nfs/dbraw/zinc/72/33/15/569723315.db2.gz ACMGJIMKPNKJRN-UHFFFAOYSA-N 0 0 493.658 4.173 50 0 JIAARN COc1cccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCC(C)C)[C@H]3C2)c1 ZINC000035908014 569723636 /nfs/dbraw/zinc/72/36/36/569723636.db2.gz KUCIKAZESMHZJC-FYYLOGMGSA-N 0 0 461.528 4.354 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)c3cccs3)CC2)n1 ZINC000035908632 569724302 /nfs/dbraw/zinc/72/43/02/569724302.db2.gz IBOUKHQMQKLPCI-UHFFFAOYSA-N 0 0 460.607 4.490 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)NCc3ccccc3)CC2)n1 ZINC000035908687 569724310 /nfs/dbraw/zinc/72/43/10/569724310.db2.gz WIECBQQJNMNELW-UHFFFAOYSA-N 0 0 469.593 4.108 50 0 JIAARN COc1cccc(CN2Cc3cc(NC(=O)c4cccnc4Cl)ccc3O[C@@H](C)C2=O)c1OC ZINC000035909764 569724993 /nfs/dbraw/zinc/72/49/93/569724993.db2.gz VUKDOASCPFZUGL-HNNXBMFYSA-N 0 0 481.936 4.314 50 0 JIAARN Cc1n[nH]cc1CNC(=O)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000095537414 569725886 /nfs/dbraw/zinc/72/58/86/569725886.db2.gz WFNUKSLZXNJIQH-UHFFFAOYSA-N 0 0 460.969 4.176 50 0 JIAARN Cc1ccc(C)c(-c2cc3c4nn(CC(=O)Nc5cccc(C(F)(F)F)c5)c(=O)n4ccn3n2)c1 ZINC000095538599 569726148 /nfs/dbraw/zinc/72/61/48/569726148.db2.gz BUBTZXVGYAQPKB-UHFFFAOYSA-N 0 0 480.450 4.085 50 0 JIAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000095540996 569726457 /nfs/dbraw/zinc/72/64/57/569726457.db2.gz IIDMHLLEDYYBRR-UHFFFAOYSA-N 0 0 468.523 4.451 50 0 JIAARN Cc1ccc(C)c(-c2cc3c4nnc(CCC(=O)NCc5cc(F)cc(F)c5)n4ccn3n2)c1 ZINC000095545073 569726990 /nfs/dbraw/zinc/72/69/90/569726990.db2.gz TXEDXYYTZIMZBY-UHFFFAOYSA-N 0 0 460.488 4.188 50 0 JIAARN CCc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)N[C@H](C)CC)n3c2=O)cc1C ZINC000035911799 569726985 /nfs/dbraw/zinc/72/69/85/569726985.db2.gz AUTMZGGDVHAQCR-OAHLLOKOSA-N 0 0 463.607 4.245 50 0 JIAARN O=c1c2c(ncn2Cc2ccc(F)cc2)n(-c2ccc(Cl)cc2)c(=O)n1Cc1ccc(F)cc1 ZINC000095546042 569727222 /nfs/dbraw/zinc/72/72/22/569727222.db2.gz WBMFOHPBVWQRGG-UHFFFAOYSA-N 0 0 478.886 4.377 50 0 JIAARN COCc1nc(C(C)C)nc(N2CCN(C(=O)NC(C)(C)C)CC2)c1Cc1cccc(C)c1 ZINC000095550785 569727578 /nfs/dbraw/zinc/72/75/78/569727578.db2.gz YAIDKJXLSHRQQO-UHFFFAOYSA-N 0 0 453.631 4.276 50 0 JIAARN Cc1ccc(C)c(Cn2c(C(=O)NCCN3CCOCC3)cc3cc(NC(=O)C4CCC4)ccc32)c1 ZINC000095551915 569727741 /nfs/dbraw/zinc/72/77/41/569727741.db2.gz NHYMVUMRZKAUOO-UHFFFAOYSA-N 0 0 488.632 4.107 50 0 JIAARN CCc1ccc(CNC(=O)CCc2nnc3c4cc(-c5cc(C)ccc5C)nn4ccn23)cc1 ZINC000095609136 569728003 /nfs/dbraw/zinc/72/80/03/569728003.db2.gz LWBCOLIBTIVMFX-UHFFFAOYSA-N 0 0 452.562 4.472 50 0 JIAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccc(CC)cc3)CC2)n1 ZINC000035925428 569728760 /nfs/dbraw/zinc/72/87/60/569728760.db2.gz SCLKEDNLIBPRLT-UHFFFAOYSA-N 0 0 454.578 4.293 50 0 JIAARN CCCC(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925489 569728826 /nfs/dbraw/zinc/72/88/26/569728826.db2.gz BOFKACKPFHMATF-UHFFFAOYSA-N 0 0 454.578 4.245 50 0 JIAARN O=C(c1ccco1)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925503 569728906 /nfs/dbraw/zinc/72/89/06/569728906.db2.gz KZNCNWONYIWDRK-UHFFFAOYSA-N 0 0 478.556 4.352 50 0 JIAARN COc1ccc(C(=O)N2CCCN(c3nc(CC(C)C)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035925593 569728908 /nfs/dbraw/zinc/72/89/08/569728908.db2.gz BQVWKEIWMFJIOI-UHFFFAOYSA-N 0 0 484.604 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Cc1cc(C)cc(NC(=O)c2c(C(=O)Nc3ccc(F)cc3)sc3nc(C)cc(=O)n32)c1 ZINC000001785961 194139795 /nfs/dbraw/zinc/13/97/95/194139795.db2.gz DDZGVQLBLLHCCU-UHFFFAOYSA-N 0 0 450.495 4.325 50 0 JIAARN COC(=O)c1c(NC(=O)COc2cc(C)c(Cl)c(C)c2)sc2c1[C@@H](C(=O)OC)CC2 ZINC000001747474 194133519 /nfs/dbraw/zinc/13/35/19/194133519.db2.gz PXNNQMRHOKOECV-ZDUSSCGKSA-N 0 0 451.928 4.025 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3sc(C)c(C)c3c(=O)n1C)CCCC2 ZINC000001820667 194146076 /nfs/dbraw/zinc/14/60/76/194146076.db2.gz GPQHTKQXJHABRS-UHFFFAOYSA-N 0 0 491.660 4.460 50 0 JIAARN NC(=O)c1ccc(NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000001836079 194148718 /nfs/dbraw/zinc/14/87/18/194148718.db2.gz YCETYHCFTANJCL-UHFFFAOYSA-N 0 0 450.998 4.314 50 0 JIAARN Cc1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CC(C)(C)OC4)cc1 ZINC000002375719 194160456 /nfs/dbraw/zinc/16/04/56/194160456.db2.gz XLSNVKZXRWHOFL-UHFFFAOYSA-N 0 0 452.580 4.127 50 0 JIAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000002120907 194157195 /nfs/dbraw/zinc/15/71/95/194157195.db2.gz ISSRXLYHJKAISM-OQHVVPOVSA-N 0 0 454.592 4.190 50 0 JIAARN COc1ccccc1CN1C(=S)SC(C)(C)[C@H]1n1oc(=O)n(-c2cccc(Cl)c2)c1=O ZINC000002196812 194158183 /nfs/dbraw/zinc/15/81/83/194158183.db2.gz IUVNHBCAHKNNDX-QGZVFWFLSA-N 0 0 477.995 4.065 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)cc1 ZINC000002225102 194158362 /nfs/dbraw/zinc/15/83/62/194158362.db2.gz GHLSOIUTNATWJF-UHFFFAOYSA-N 0 0 480.590 4.023 50 0 JIAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)C(C)C)c1 ZINC000002656097 194163230 /nfs/dbraw/zinc/16/32/30/194163230.db2.gz QOTIKMPRDDTVET-DEOSSOPVSA-N 0 0 491.592 4.082 50 0 JIAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc(Br)c(Br)s3)CC2)c1C ZINC000002926037 194171644 /nfs/dbraw/zinc/17/16/44/194171644.db2.gz OHGHRXPDDRHNFX-UHFFFAOYSA-N 0 0 494.274 4.401 50 0 JIAARN Cc1nn(CCNC(=O)c2ccc(COc3ccc(F)cc3F)o2)c(C)c1Br ZINC000002795631 194165695 /nfs/dbraw/zinc/16/56/95/194165695.db2.gz AETABHMRJUUQDL-UHFFFAOYSA-N 0 0 454.271 4.143 50 0 JIAARN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2C)c1C ZINC000002891207 194167854 /nfs/dbraw/zinc/16/78/54/194167854.db2.gz SEGCYCDCHOADAM-UHFFFAOYSA-N 0 0 452.532 4.071 50 0 JIAARN CCOc1ccc(NC(=O)c2sc3ncn(CC(=O)Nc4ccccc4OC)c(=O)c3c2C)cc1 ZINC000002922746 194170307 /nfs/dbraw/zinc/17/03/07/194170307.db2.gz VRJBDDRLWVRSNM-UHFFFAOYSA-N 0 0 492.557 4.065 50 0 JIAARN COc1ccccc1/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccc(F)c(F)c1 ZINC000002955125 194179248 /nfs/dbraw/zinc/17/92/48/194179248.db2.gz IGSDYIKUCPELQK-OLFWJLLRSA-N 0 0 451.429 4.400 50 0 JIAARN Cc1ncc(CO)c2cc(C(=O)Nc3cccc4ccccc43)/c(=N/c3cccc(C(N)=O)c3)oc12 ZINC000002955597 194179440 /nfs/dbraw/zinc/17/94/40/194179440.db2.gz IQQREWRARYCWGY-PNOGMODKSA-N 0 0 478.508 4.365 50 0 JIAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2Cc1ccccc1C ZINC000002956712 194179800 /nfs/dbraw/zinc/17/98/00/194179800.db2.gz GCQJFAXWJZROFP-UHFFFAOYSA-N 0 0 461.587 4.198 50 0 JIAARN CCc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(Cc3ccccc3C)c2=O)cc1 ZINC000002956834 194180029 /nfs/dbraw/zinc/18/00/29/194180029.db2.gz XJRSUSIBIVTXIV-UHFFFAOYSA-N 0 0 461.587 4.143 50 0 JIAARN Cc1ccc(Cn2c(SCC(=O)NC[C@@H]3CCCO3)nc3c4ccccc4sc3c2=O)cc1 ZINC000002961674 194182046 /nfs/dbraw/zinc/18/20/46/194182046.db2.gz NTTXTAJTRHBLGK-SFHVURJKSA-N 0 0 479.627 4.355 50 0 aggregator JIAARN O=C(c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12)N1CCN(c2ccc(F)cc2)CC1 ZINC000002937837 194174217 /nfs/dbraw/zinc/17/42/17/194174217.db2.gz NIJOJEQAHUKSPP-UHFFFAOYSA-N 0 0 463.459 4.370 50 0 JIAARN COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)c1ccc3c(c1)OCO3)CC2 ZINC000002980269 194193180 /nfs/dbraw/zinc/19/31/80/194193180.db2.gz HDBLWRJYOFFZGY-NRFANRHFSA-N 0 0 465.477 4.390 50 0 JIAARN COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2OC)cc1 ZINC000002980301 194193487 /nfs/dbraw/zinc/19/34/87/194193487.db2.gz YNGKFHLAMYIBAG-HSZRJFAPSA-N 0 0 491.540 4.318 50 0 JIAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCc3cccc(F)c3)N2C1=O)NCc1ccco1 ZINC000002967556 194184967 /nfs/dbraw/zinc/18/49/67/194184967.db2.gz HQKYKZSNRKTSJO-NRFANRHFSA-N 0 0 476.533 4.407 50 0 JIAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O)NCc1ccco1 ZINC000002967563 194185121 /nfs/dbraw/zinc/18/51/21/194185121.db2.gz VVQUWBYQZKXZPS-OAQYLSRUSA-N 0 0 476.533 4.407 50 0 JIAARN CC[C@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)NCc1ccco1 ZINC000002969222 194186910 /nfs/dbraw/zinc/18/69/10/194186910.db2.gz OPSOLSZYIXUXAE-NRFANRHFSA-N 0 0 489.605 4.114 50 0 JIAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2COc3ccccc3O2)cc1 ZINC000002971184 194188639 /nfs/dbraw/zinc/18/86/39/194188639.db2.gz FUNPLEMULFPZGU-IBGZPJMESA-N 0 0 473.554 4.276 50 0 JIAARN CCCCNC(=O)[C@H](CC)Sc1nc2ccccc2c(=O)n1C[C@@H]1COc2ccccc2O1 ZINC000002971660 194188758 /nfs/dbraw/zinc/18/87/58/194188758.db2.gz QSLDJCNIRDOWPU-VGSWGCGISA-N 0 0 467.591 4.024 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1COc2ccccc2O1)NCCC1=CCCCC1 ZINC000002972060 194189045 /nfs/dbraw/zinc/18/90/45/194189045.db2.gz RHDHOYKKSDFUOQ-HXUWFJFHSA-N 0 0 491.613 4.335 50 0 JIAARN COc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000002978585 194192272 /nfs/dbraw/zinc/19/22/72/194192272.db2.gz VKYUAERLCJXZCE-UHFFFAOYSA-N 0 0 450.988 4.255 50 0 JIAARN COc1ccc(CCNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002978582 194192324 /nfs/dbraw/zinc/19/23/24/194192324.db2.gz WQYIAAVCJBQVIR-UHFFFAOYSA-N 0 0 466.603 4.175 50 0 JIAARN CCOC(=O)N1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)CC1 ZINC000003011945 194205368 /nfs/dbraw/zinc/20/53/68/194205368.db2.gz VWFADKGVMOTGAX-DOTOQJQBSA-N 0 0 485.894 4.111 50 0 JIAARN CCOc1cc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CS(=O)(=O)C3)cc(OCC)c1OCC ZINC000003008565 194202841 /nfs/dbraw/zinc/20/28/41/194202841.db2.gz IBXUFHKEZZHKLZ-UHFFFAOYSA-N 0 0 499.589 4.058 50 0 JIAARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003009018 194203079 /nfs/dbraw/zinc/20/30/79/194203079.db2.gz JMMFLNNHAWNADA-UHFFFAOYSA-N 0 0 491.956 4.437 50 0 JIAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2Cl)CS(=O)(=O)C3)c1C ZINC000003009532 194203395 /nfs/dbraw/zinc/20/33/95/194203395.db2.gz DKTGYJZFIKLABH-UHFFFAOYSA-N 0 0 450.347 4.477 50 0 JIAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)c1cc(Br)ccc1Cl ZINC000003009298 194203433 /nfs/dbraw/zinc/20/34/33/194203433.db2.gz ZHBAWUGSXLYTNC-UHFFFAOYSA-N 0 0 484.734 4.108 50 0 JIAARN CCOC(=O)CSc1nc2sc(C(=O)OCC)c(C)c2c(=O)n1Cc1cccc(Cl)c1 ZINC000003010594 194204192 /nfs/dbraw/zinc/20/41/92/194204192.db2.gz KJFFQAUFSRQKIU-UHFFFAOYSA-N 0 0 480.995 4.300 50 0 JIAARN COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(F)cc2)cc1 ZINC000003005829 194200875 /nfs/dbraw/zinc/20/08/75/194200875.db2.gz ADKUCHZMQHXGKC-HSZRJFAPSA-N 0 0 479.504 4.448 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)ccc1F ZINC000003031127 194212670 /nfs/dbraw/zinc/21/26/70/194212670.db2.gz OAPKONTYLQZQIQ-OKILXGFUSA-N 0 0 454.951 4.407 50 0 JIAARN Cc1c(C(=O)N(C)C)sc2nc(SCC(=O)C(C)(C)C)n(CCc3ccccc3)c(=O)c12 ZINC000003018482 194208272 /nfs/dbraw/zinc/20/82/72/194208272.db2.gz YMFIETDORBFUOQ-UHFFFAOYSA-N 0 0 471.648 4.418 50 0 JIAARN CC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)cc1 ZINC000003022673 194209542 /nfs/dbraw/zinc/20/95/42/194209542.db2.gz DYMGWTMFBJJERD-UHFFFAOYSA-N 0 0 470.522 4.409 50 0 JIAARN CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2F)cc1 ZINC000003022819 194209771 /nfs/dbraw/zinc/20/97/71/194209771.db2.gz GVFVQFVIVIXGGT-UHFFFAOYSA-N 0 0 454.523 4.224 50 0 JIAARN O=C(CN1c2cc(C(=O)N3CCCC3)ccc2Sc2ccccc2C1=O)NCCc1ccccc1 ZINC000003055457 194220772 /nfs/dbraw/zinc/22/07/72/194220772.db2.gz MIDFIGUJEQUTMG-UHFFFAOYSA-N 0 0 485.609 4.393 50 0 JIAARN CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000003062407 194222528 /nfs/dbraw/zinc/22/25/28/194222528.db2.gz IUGSFHOEEHFPIZ-UHFFFAOYSA-N 0 0 468.962 4.473 50 0 JIAARN Nc1c2cc(S(=O)(=O)N3CCCCC3)ccc2sc1C(=O)NCCc1ccc(Cl)cc1 ZINC000003048576 194218127 /nfs/dbraw/zinc/21/81/27/194218127.db2.gz LZFOBWKUYWVRSW-UHFFFAOYSA-N 0 0 478.039 4.284 50 0 aggregator JIAARN CCOc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000003049054 194218201 /nfs/dbraw/zinc/21/82/01/194218201.db2.gz PQFKWFZRALHBCF-AREMUKBSSA-N 0 0 474.557 4.159 50 0 JIAARN O=C(NCCCCNC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000003127232 194229129 /nfs/dbraw/zinc/22/91/29/194229129.db2.gz MRJNCDGIHYFNRB-UHFFFAOYSA-N 0 0 454.162 4.152 50 0 JIAARN O=C(Nc1ccccc1O)c1cc(C(=O)Nc2ccccc2O)cc(N2C(=O)c3ccccc3C2=O)c1 ZINC000003142788 194231412 /nfs/dbraw/zinc/23/14/12/194231412.db2.gz XGZOQVHPFGOQRX-UHFFFAOYSA-N 0 0 493.475 4.403 50 0 JIAARN O=C(NCCCCCCNC(=O)c1ccc(Br)o1)c1ccc(Br)o1 ZINC000003147266 194232582 /nfs/dbraw/zinc/23/25/82/194232582.db2.gz TVHJTJLQWGEDIK-UHFFFAOYSA-N 0 0 462.138 4.118 50 0 JIAARN O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000003170496 194233601 /nfs/dbraw/zinc/23/36/01/194233601.db2.gz ZQERGBHNUJFMQV-UHFFFAOYSA-N 0 0 455.489 4.420 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3n3c(-c4ccc(Br)o4)nnc23)cc1 ZINC000003178800 194235054 /nfs/dbraw/zinc/23/50/54/194235054.db2.gz JWCNGOSUKKZVFB-UHFFFAOYSA-N 0 0 498.362 4.434 50 0 JIAARN COc1cc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc(OC)c1OC ZINC000003202116 194238428 /nfs/dbraw/zinc/23/84/28/194238428.db2.gz VDPPENWLZWFGOK-QPJJXVBHSA-N 0 0 466.456 4.220 50 0 JIAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 ZINC000003213783 194239987 /nfs/dbraw/zinc/23/99/87/194239987.db2.gz LNCGRMLFJCMCPZ-UHFFFAOYSA-N 0 0 455.502 4.198 50 0 JIAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003214283 194240037 /nfs/dbraw/zinc/24/00/37/194240037.db2.gz KZJAKXNTNDSIAH-UHFFFAOYSA-N 0 0 492.597 4.358 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2CN(c3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000003214404 194240242 /nfs/dbraw/zinc/24/02/42/194240242.db2.gz LSPUEOACVAMAIC-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/15/02/67/195150267.db2.gz PZKMGOXHFJPDML-UHFFFAOYSA-N 0 0 467.497 4.052 50 0 JIAARN Cc1ccc(N2C[C@@H](C(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)cc1 ZINC000012848122 195153176 /nfs/dbraw/zinc/15/31/76/195153176.db2.gz LGBFTZJDHQGUOI-AWEZNQCLSA-N 0 0 467.875 4.117 50 0 JIAARN COc1ccc(CNC(=O)c2cnn3c2N[C@H](c2ccccc2OC)C[C@@H]3C(F)(F)F)cc1 ZINC000012849288 195153748 /nfs/dbraw/zinc/15/37/48/195153748.db2.gz HQOMIMZMWASFSP-AZUAARDMSA-N 0 0 460.456 4.491 50 0 JIAARN CCOC(=O)Cc1nnc(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)n1Cc1ccccc1 ZINC000012851156 195154652 /nfs/dbraw/zinc/15/46/52/195154652.db2.gz JPZCBWPCULSAIM-UHFFFAOYSA-N 0 0 494.539 4.388 50 0 JIAARN CS(=O)(=O)c1ccc(C(=O)Nc2c(Cl)cc(NC(=O)c3ccccn3)cc2Cl)cc1 ZINC000012852266 195155163 /nfs/dbraw/zinc/15/51/63/195155163.db2.gz AXRFYUSKXIHLET-UHFFFAOYSA-N 0 0 464.330 4.297 50 0 JIAARN CCOc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)cc1 ZINC000012852346 195155173 /nfs/dbraw/zinc/15/51/73/195155173.db2.gz YSYKHNZLINYXTE-MHZLTWQESA-N 0 0 455.514 4.203 50 0 JIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCN1C(=O)CSc2ccccc21 ZINC000012854026 195156331 /nfs/dbraw/zinc/15/63/31/195156331.db2.gz XRUKHDCWUUTMPI-UHFFFAOYSA-N 0 0 454.470 4.198 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O ZINC000012858919 195158854 /nfs/dbraw/zinc/15/88/54/195158854.db2.gz KBNKRXSFXXEYCG-XMMPIXPASA-N 0 0 497.617 4.163 50 0 JIAARN C[C@]12C(=O)N(c3ccccc3C(=O)NCc3ccccc3F)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000012866099 195161452 /nfs/dbraw/zinc/16/14/52/195161452.db2.gz BWOSAEJZBCSGRN-NDEPHWFRSA-N 0 0 482.515 4.477 50 0 biogenic JIAARN C[C@]12C(=O)N(c3ccc(C(=O)NCc4ccc(F)cc4)cc3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000012866530 195161600 /nfs/dbraw/zinc/16/16/00/195161600.db2.gz HGXJDKMNYZFGRA-NDEPHWFRSA-N 0 0 482.515 4.477 50 0 biogenic JIAARN CCOc1ccc(CN(C)C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000012868305 195162460 /nfs/dbraw/zinc/16/24/60/195162460.db2.gz HLNLCYCJZGVSPN-UHFFFAOYSA-N 0 0 474.604 4.009 50 0 JIAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)C(C)C)c1 ZINC000012871761 195163890 /nfs/dbraw/zinc/16/38/90/195163890.db2.gz UNLOMFTYUAHFBD-YVHKJVDXSA-N 0 0 488.654 4.031 50 0 JIAARN O=C(/C=C/c1ccccc1)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 ZINC000012899351 195176760 /nfs/dbraw/zinc/17/67/60/195176760.db2.gz CQPPQZMZDDCOON-LEJURUINSA-N 0 0 456.542 4.025 50 0 JIAARN CCCN1CC(=O)N2C[C@@H](c3ccc(Br)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012874993 195165485 /nfs/dbraw/zinc/16/54/85/195165485.db2.gz RCMAMXXFJKHDEP-UUOWRZLLSA-N 0 0 466.379 4.372 50 0 biogenic JIAARN CCCn1c(SCC(=O)N(C)Cc2ccc(OC)c(OC)c2)nc2sc3c(c2c1=O)CCC3 ZINC000012885189 195170289 /nfs/dbraw/zinc/17/02/89/195170289.db2.gz IRTVSKAOJXSGFE-UHFFFAOYSA-N 0 0 487.647 4.125 50 0 JIAARN COc1ccccc1OCCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(C)cc1 ZINC000012888529 195171528 /nfs/dbraw/zinc/17/15/28/195171528.db2.gz ZTKBBYAACIPLPO-UHFFFAOYSA-N 0 0 489.597 4.049 50 0 JIAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)NCCC(=O)Nc2ccccc2)cc1 ZINC000012892942 195174177 /nfs/dbraw/zinc/17/41/77/195174177.db2.gz CMTXHUMOJVGJQI-MHZLTWQESA-N 0 0 489.572 4.398 50 0 biogenic JIAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1 ZINC000012896502 195175288 /nfs/dbraw/zinc/17/52/88/195175288.db2.gz VIQNGJARIAPVIK-KRWDZBQOSA-N 0 0 450.988 4.054 50 0 JIAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000012896700 195175576 /nfs/dbraw/zinc/17/55/76/195175576.db2.gz RQHZDUFYSDEPAD-UHFFFAOYSA-N 0 0 469.460 4.006 50 0 JIAARN C[C@]12C(=O)N(c3ccccc3C(=O)NCc3ccc(F)cc3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000012864169 195160816 /nfs/dbraw/zinc/16/08/16/195160816.db2.gz PFKRKTYCVCPRDF-NDEPHWFRSA-N 0 0 482.515 4.477 50 0 biogenic JIAARN O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O)NCc1ccccc1 ZINC000020643200 195194261 /nfs/dbraw/zinc/19/42/61/195194261.db2.gz PJWMXFBXGGKQNY-QFIPXVFZSA-N 0 0 472.545 4.424 50 0 JIAARN CS(=O)(=O)N(Cc1ccccc1F)n1c(=O)c2ccccc2nc1SCc1ccccc1F ZINC000020644579 195194367 /nfs/dbraw/zinc/19/43/67/195194367.db2.gz DSAAMHJUQPIJIA-UHFFFAOYSA-N 0 0 487.553 4.065 50 0 JIAARN CCOC(CCn1c(=O)c2ccccc2nc1SCC(=O)NCCC1=CCCCC1)OCC ZINC000020644324 195194397 /nfs/dbraw/zinc/19/43/97/195194397.db2.gz BXWULVWMRBMXBI-UHFFFAOYSA-N 0 0 473.639 4.285 50 0 JIAARN O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cc(F)cc2c1O[C@H](c1ccsc1)OC2 ZINC000012904007 195178534 /nfs/dbraw/zinc/17/85/34/195178534.db2.gz XAZFRNIPBOKLNT-ZJSXRUAMSA-N 0 0 466.490 4.225 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCc3sccc3[C@H]2C2CC2)c1 ZINC000012903636 195178635 /nfs/dbraw/zinc/17/86/35/195178635.db2.gz OVMKNQWZVMQRDX-HSZRJFAPSA-N 0 0 461.653 4.035 50 0 JIAARN C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000012906477 195179756 /nfs/dbraw/zinc/17/97/56/195179756.db2.gz QWRWXGRICOLAOK-UGSOOPFHSA-N 0 0 471.804 4.133 50 0 JIAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012906737 195180043 /nfs/dbraw/zinc/18/00/43/195180043.db2.gz CLLXWYNZIRVZAA-UHFFFAOYSA-N 0 0 480.552 4.253 50 0 JIAARN COCCn1c2nc(-c3ccc(OC(F)F)c(OC)c3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605466 195181081 /nfs/dbraw/zinc/18/10/81/195181081.db2.gz ILPLMGQFMLLDDA-UHFFFAOYSA-N 0 0 477.411 4.396 50 0 JIAARN CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000020605511 195181127 /nfs/dbraw/zinc/18/11/27/195181127.db2.gz YPNDCKHDTKHFEW-UHFFFAOYSA-N 0 0 476.480 4.085 50 0 JIAARN CCn1ncc(-c2csc(NC(=O)c3cc(-c4c(C)nn(C)c4C)nc4c3c(C)nn4C)n2)c1C ZINC000020606322 195181225 /nfs/dbraw/zinc/18/12/25/195181225.db2.gz CEPFUZAHIMGCSN-UHFFFAOYSA-N 0 0 489.609 4.195 50 0 JIAARN CC[C@H](C(=O)NC[C@@H](C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607593 195181414 /nfs/dbraw/zinc/18/14/14/195181414.db2.gz SWEFHRFCHPMYMG-DGCLKSJQSA-N 0 0 451.415 4.010 50 0 JIAARN CC[C@H](C(=O)Nc1nn(Cc2cnn(CC)c2C)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607737 195181672 /nfs/dbraw/zinc/18/16/72/195181672.db2.gz KWGLSWLMISFMMA-MRXNPFEDSA-N 0 0 483.926 4.403 50 0 JIAARN CC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCN5CCOCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000020611667 195185536 /nfs/dbraw/zinc/18/55/36/195185536.db2.gz UEBUFYWOGSAVPX-FCWLDKDCSA-N 0 0 487.681 4.149 50 0 biogenic JIAARN COc1cc(CN(c2cn(C)nc2C)S(=O)(=O)c2ccccc2)ccc1OCC(F)(F)F ZINC000020614207 195186297 /nfs/dbraw/zinc/18/62/97/195186297.db2.gz DVNQOOWPZPWOFI-UHFFFAOYSA-N 0 0 469.485 4.074 50 0 JIAARN Cc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccccc3F)CC2)c1 ZINC000020614624 195187062 /nfs/dbraw/zinc/18/70/62/195187062.db2.gz GOCFMEBTZLSFAL-DEOSSOPVSA-N 0 0 461.537 4.156 50 0 JIAARN O=C(c1cn(CN2CCOCC2)c2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020649726 195195575 /nfs/dbraw/zinc/19/55/75/195195575.db2.gz CMCVUCKVSAAIFN-UHFFFAOYSA-N 0 0 494.639 4.478 50 0 JIAARN COc1ccc(C/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000020617108 195188915 /nfs/dbraw/zinc/18/89/15/195188915.db2.gz CAXSPZYFNTXDPQ-GNVQSUKOSA-N 0 0 465.456 4.269 50 0 JIAARN CCOc1ccc(NC(=S)N(CCCN2CCOCC2)Cc2cn(C)c3ccccc23)cc1 ZINC000020676492 195201245 /nfs/dbraw/zinc/20/12/45/195201245.db2.gz KAPMPVKFKZMVKB-UHFFFAOYSA-N 0 0 466.651 4.498 50 0 JIAARN COc1cc(CN(C(=S)NCC(=O)N[C@@H]2CCCC[C@H]2C)C2CCCC2)cc(OC)c1OC ZINC000020679792 195203725 /nfs/dbraw/zinc/20/37/25/195203725.db2.gz PYQNBHORNAPDAW-YLJYHZDGSA-N 0 0 477.671 4.026 50 0 JIAARN O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000020716105 195205965 /nfs/dbraw/zinc/20/59/65/195205965.db2.gz ZAVIGKVIKJNSIE-AREMUKBSSA-N 0 0 456.546 4.085 50 0 JIAARN O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020713838 195206002 /nfs/dbraw/zinc/20/60/02/195206002.db2.gz KNWDFQRLQRIGNW-MUUNZHRXSA-N 0 0 499.567 4.419 50 0 JIAARN O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000020714692 195206038 /nfs/dbraw/zinc/20/60/38/195206038.db2.gz MPYABNUDSSMYMF-SANMLTNESA-N 0 0 456.546 4.085 50 0 JIAARN O=S(=O)(c1ccc(F)cc1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000020724757 195206849 /nfs/dbraw/zinc/20/68/49/195206849.db2.gz CQZJPYYRTHEHLC-HSZRJFAPSA-N 0 0 450.470 4.448 50 0 JIAARN CCCCOc1ccc([C@@H](C)NC(=O)CCN2N=C(c3ccc(OC)cc3)CCC2=O)cc1 ZINC000020727797 195208550 /nfs/dbraw/zinc/20/85/50/195208550.db2.gz VEZPGSSWOWWSST-LJQANCHMSA-N 0 0 451.567 4.468 50 0 JIAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Br)cc2F)c1 ZINC000020728404 195209031 /nfs/dbraw/zinc/20/90/31/195209031.db2.gz HBQAMTVVDXHUAS-IBGZPJMESA-N 0 0 473.302 4.278 50 0 JIAARN CC(C)OCCCNC(=O)CN1C(=O)/C(=C\c2ccccc2Br)Oc2ccccc21 ZINC000020732972 195211120 /nfs/dbraw/zinc/21/11/20/195211120.db2.gz UFWFTGACTKGARB-KGENOOAVSA-N 0 0 473.367 4.147 50 0 JIAARN O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1 ZINC000020850783 195231174 /nfs/dbraw/zinc/23/11/74/195231174.db2.gz WJUVJDJWKMMFIL-QHCPKHFHSA-N 0 0 472.969 4.474 50 0 JIAARN COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)c3nc4ccccc4s3)nc21 ZINC000020743888 195214481 /nfs/dbraw/zinc/21/44/81/195214481.db2.gz LZKGDKLYBATYJR-UHFFFAOYSA-N 0 0 468.604 4.202 50 0 JIAARN Cc1oc2c(cc3c(C)c(CCC(=O)N4CCN(CCc5ccncc5)CC4)c(=O)oc3c2C)c1C ZINC000020759907 195217358 /nfs/dbraw/zinc/21/73/58/195217358.db2.gz UCDULRBQLKPISL-UHFFFAOYSA-N 0 0 487.600 4.487 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCCCc2ccccc2)cc1 ZINC000020851668 195231568 /nfs/dbraw/zinc/23/15/68/195231568.db2.gz HVLCCHZXQLPNLO-AREMUKBSSA-N 0 0 462.615 4.422 50 0 JIAARN O=C(CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020767321 195222823 /nfs/dbraw/zinc/22/28/23/195222823.db2.gz ZFXLCKPERBHYMT-UHFFFAOYSA-N 0 0 489.325 4.207 50 0 JIAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Br)c1OCc1ccccc1C ZINC000020895630 195239507 /nfs/dbraw/zinc/23/95/07/195239507.db2.gz TVDJFDHCMYJFFF-FQEVSTJZSA-N 0 0 492.395 4.346 50 0 JIAARN COc1ccc(-c2c3c(c4n2-c2ccccc2N[C@H]4c2ccccc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000020898584 195240643 /nfs/dbraw/zinc/24/06/43/195240643.db2.gz MUGWLPBADUYXCQ-QHCPKHFHSA-N 0 0 464.525 4.218 50 0 JIAARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 ZINC000020900924 195241415 /nfs/dbraw/zinc/24/14/15/195241415.db2.gz BSZLAWASSYDVBU-UHFFFAOYSA-N 0 0 466.588 4.163 50 0 JIAARN CCc1nn2c(nc(COc3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)cc2=O)s1 ZINC000020859217 195232724 /nfs/dbraw/zinc/23/27/24/195232724.db2.gz YDCDOILUDONUCH-UHFFFAOYSA-N 0 0 464.591 4.447 50 0 JIAARN COc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000020889210 195236668 /nfs/dbraw/zinc/23/66/68/195236668.db2.gz IXMIMDXCPYTCFA-UHFFFAOYSA-N 0 0 452.532 4.016 50 0 JIAARN CCOc1ccccc1CNC(=O)[C@H](C)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937547 195253784 /nfs/dbraw/zinc/25/37/84/195253784.db2.gz CPVOTECIJMLWJS-IBGZPJMESA-N 0 0 469.607 4.092 50 0 JIAARN Cc1nn2c(nc(CSc3ccccc3NC(=O)COc3ccc(Cl)cc3)cc2=O)s1 ZINC000020982855 195259295 /nfs/dbraw/zinc/25/92/95/195259295.db2.gz BEMBSNLGLWGDEU-UHFFFAOYSA-N 0 0 472.979 4.423 50 0 JIAARN CC[C@@H](C(=O)NCc1ccccc1OC)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937743 195253648 /nfs/dbraw/zinc/25/36/48/195253648.db2.gz PUKMHQGFZJJFBP-QFIPXVFZSA-N 0 0 469.607 4.092 50 0 JIAARN O=C(Nc1nnc(SCc2cc(=O)n3nc(C4CCCCC4)sc3n2)s1)c1ccco1 ZINC000020984417 195259982 /nfs/dbraw/zinc/25/99/82/195259982.db2.gz OYGXEDGANVZHGB-UHFFFAOYSA-N 0 0 474.593 4.188 50 0 JIAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N[C@@H](c3cccs3)C(C)C)c2)on1 ZINC000020985213 195260344 /nfs/dbraw/zinc/26/03/44/195260344.db2.gz RMMNFOCAYVCEGF-HXUWFJFHSA-N 0 0 464.565 4.264 50 0 JIAARN O=C(CSc1nc(-c2ccc(F)cc2)nc2cc(=O)[nH]n21)Nc1cccc(C(F)(F)F)c1 ZINC000020986997 195260892 /nfs/dbraw/zinc/26/08/92/195260892.db2.gz AZVASVHDOSNEGZ-UHFFFAOYSA-N 0 0 463.416 4.386 50 0 JIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCN(C(=O)Nc3ccc(F)cc3)CC1)nnc2C ZINC000020987697 195261281 /nfs/dbraw/zinc/26/12/81/195261281.db2.gz CXMUFRITZNZQSF-UHFFFAOYSA-N 0 0 459.529 4.234 50 0 JIAARN CCOc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21 ZINC000020995109 195263645 /nfs/dbraw/zinc/26/36/45/195263645.db2.gz BHXGBDAUAUCTHG-JOCHJYFZSA-N 0 0 475.570 4.162 50 0 JIAARN COc1ccc(C)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21 ZINC000020995131 195263951 /nfs/dbraw/zinc/26/39/51/195263951.db2.gz MPRQVYWTDMWPRG-QFIPXVFZSA-N 0 0 475.570 4.080 50 0 JIAARN COc1ccc2[nH]cc(CCNC(=O)c3ccc(C)c(NC(=O)C4=CSCCO4)c3)c2c1 ZINC000021019747 195267127 /nfs/dbraw/zinc/26/71/27/195267127.db2.gz XMMSPODEYKEJGB-UHFFFAOYSA-N 0 0 451.548 4.001 50 0 JIAARN COc1ccc(C2=NCC(=O)N(CC(=O)Nc3ccccc3)c3sc4c(c32)CCCC4)cc1 ZINC000021021830 195267523 /nfs/dbraw/zinc/26/75/23/195267523.db2.gz HJTRAJSAGREDGN-UHFFFAOYSA-N 0 0 459.571 4.458 50 0 JIAARN O=C(CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12)N1CCC(Cc2ccccc2)CC1 ZINC000021040257 195270715 /nfs/dbraw/zinc/27/07/15/195270715.db2.gz LLMUQNISAKORJL-UHFFFAOYSA-N 0 0 490.007 4.338 50 0 JIAARN CCOc1ccc(CN2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)cc1OCC ZINC000021039667 195270766 /nfs/dbraw/zinc/27/07/66/195270766.db2.gz 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CCC(=O)N1CCc2cc(C(=O)Nc3ccc(OCC(=O)N(CC)CC)c(Cl)c3)ccc21 ZINC000040145058 521155490 /nfs/dbraw/zinc/15/54/90/521155490.db2.gz AZSAQZUTJJRNKF-UHFFFAOYSA-N 0 0 457.958 4.139 50 0 JIAARN CCOc1ccc(OCC)c(NC(=O)CCc2c(C)nn(-c3cc(N4CCCC4)ncn3)c2C)c1 ZINC000035482484 521166425 /nfs/dbraw/zinc/16/64/25/521166425.db2.gz CEZXJJXJBWMHEU-UHFFFAOYSA-N 0 0 478.597 4.248 50 0 JIAARN CCOc1ccc(OCC)c(NC(=O)Cn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)c1 ZINC000008965170 521167758 /nfs/dbraw/zinc/16/77/58/521167758.db2.gz JDLACCPESWKKCL-UHFFFAOYSA-N 0 0 460.534 4.240 50 0 JIAARN CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000002147526 521169050 /nfs/dbraw/zinc/16/90/50/521169050.db2.gz BKJPGOIXEUZYAC-FQEVSTJZSA-N 0 0 457.548 4.079 50 0 biogenic JIAARN CCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000033069352 521193210 /nfs/dbraw/zinc/19/32/10/521193210.db2.gz QSANNXYYQRJCFX-UHFFFAOYSA-N 0 0 463.557 4.201 50 0 JIAARN CCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)Nc2ccc(OC)cc2OC)CC1 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CCCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@@H](C(=O)NCC(C)C)C3)c2)cc1 ZINC000021710746 521412846 /nfs/dbraw/zinc/41/28/46/521412846.db2.gz IDSOBCTXGMJJRB-JOCHJYFZSA-N 0 0 485.650 4.064 50 0 JIAARN CCN(Cc1ccncc1)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2cccs2)C3=O)CC1 ZINC000014976803 521413472 /nfs/dbraw/zinc/41/34/72/521413472.db2.gz BCRDHXJSMZWBDU-UHFFFAOYSA-N 0 0 488.613 4.204 50 0 JIAARN CCOc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3c(F)cc(F)cc3F)CC2)nc1 ZINC000023436271 521463618 /nfs/dbraw/zinc/46/36/18/521463618.db2.gz LCNIVWAQSRQREQ-UHFFFAOYSA-N 0 0 484.478 4.112 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 ZINC000009906744 521481536 /nfs/dbraw/zinc/48/15/36/521481536.db2.gz XYRNWMQMIMEGIH-NRFANRHFSA-N 0 0 462.527 4.020 50 0 JIAARN CCN(c1ccc2sc(C(=O)NC[C@H]3CCCO3)cc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000046073650 521495370 /nfs/dbraw/zinc/49/53/70/521495370.db2.gz OOBISPJREDYJGZ-LJQANCHMSA-N 0 0 474.604 4.034 50 0 JIAARN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 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COc1cc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000008606621 522967537 /nfs/dbraw/zinc/96/75/37/522967537.db2.gz FXFIQPWSXBISPU-VWLOTQADSA-N 0 0 486.528 4.257 50 0 JIAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCOC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000008789365 522993736 /nfs/dbraw/zinc/99/37/36/522993736.db2.gz DPKMAFIHAHUNEP-NRFANRHFSA-N 0 0 484.593 4.090 50 0 biogenic JIAARN COc1cc2c(cc1OC)CN(C(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CCCc3ccccc31)CC2 ZINC000013629850 523028447 /nfs/dbraw/zinc/02/84/47/523028447.db2.gz PKIKNWRPYIGDSH-PKTZIBPZSA-N 0 0 497.661 4.087 50 0 biogenic JIAARN COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cccc(Cl)c1)[C@H](c1cccnc1)N(C)C2=O ZINC000004733131 523034978 /nfs/dbraw/zinc/03/49/78/523034978.db2.gz LDCPONCMEMLOHP-YADHBBJMSA-N 0 0 451.910 4.301 50 0 JIAARN COc1ccc(-c2cc(=O)n3c4ccccc4n(CC(=O)Nc4ccc(C(C)=O)cc4)c3n2)cc1 ZINC000065305072 523090277 /nfs/dbraw/zinc/09/02/77/523090277.db2.gz DVRAEPRBLJHRNJ-UHFFFAOYSA-N 0 0 466.497 4.166 50 0 JIAARN COc1ccc(-c2cc(C(=O)NC[C@H](O)COc3c(OC)cccc3OC)c3ccccc3n2)cc1 ZINC000048355077 523099111 /nfs/dbraw/zinc/09/91/11/523099111.db2.gz ZNRYCUIZBHYGJT-IBGZPJMESA-N 0 0 488.540 4.097 50 0 JIAARN COc1ccc(-c2cc(NC(=O)CN3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)ccc2OC)cc1 ZINC000014075068 523111563 /nfs/dbraw/zinc/11/15/63/523111563.db2.gz BBFIIQAQGQPRMR-NDEPHWFRSA-N 0 0 487.556 4.253 50 0 JIAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(Cc2ccccc2F)C3=O)cc1 ZINC000021855152 523120231 /nfs/dbraw/zinc/12/02/31/523120231.db2.gz HITODVMIZHKACZ-LJAQVGFWSA-N 0 0 498.558 4.429 50 0 JIAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(CCC(C)C)C3=O)cc1 ZINC000021853058 523120436 /nfs/dbraw/zinc/12/04/36/523120436.db2.gz XXAAAOYPWOOHEE-SANMLTNESA-N 0 0 452.599 4.268 50 0 JIAARN COCc1nc(C2CC2)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1cccc(Cl)c1 ZINC000095536453 523190370 /nfs/dbraw/zinc/19/03/70/523190370.db2.gz QWUUJEWCHODXFG-UHFFFAOYSA-N 0 0 457.018 4.439 50 0 JIAARN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCc1ccc(Br)cc1 ZINC000002851694 523193432 /nfs/dbraw/zinc/19/34/32/523193432.db2.gz BZVISJUFVUKUEL-UHFFFAOYSA-N 0 0 475.412 4.220 50 0 JIAARN CN(Cc1ccc(Br)cc1)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000016343931 523197808 /nfs/dbraw/zinc/19/78/08/523197808.db2.gz VZJBUQAXQBHAAK-HXUWFJFHSA-N 0 0 459.384 4.406 50 0 JIAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000002442869 523199060 /nfs/dbraw/zinc/19/90/60/523199060.db2.gz YVOYPFXZOVKAFB-UHFFFAOYSA-N 0 0 460.943 4.032 50 0 JIAARN CCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2c(-c3ccccc3)nsc2c1=O ZINC000033300246 523227425 /nfs/dbraw/zinc/22/74/25/523227425.db2.gz NEJXYMVFRSTCAC-UHFFFAOYSA-N 0 0 452.561 4.279 50 0 JIAARN CCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c3cc(OC)ccc3n(C)c2c1=O ZINC000033287527 523230275 /nfs/dbraw/zinc/23/02/75/523230275.db2.gz RISCZTPDYVXWSW-UHFFFAOYSA-N 0 0 450.564 4.264 50 0 JIAARN COc1ccc(-c2nc3nc(C)c(CC(=O)Nc4ccc(Br)cc4)c(C)n3n2)cc1 ZINC000086069737 523234930 /nfs/dbraw/zinc/23/49/30/523234930.db2.gz ONSWWZPRIZWTKF-UHFFFAOYSA-N 0 0 466.339 4.360 50 0 JIAARN COc1ccc(-c2ncc3c(ncnc3SCC(=O)NCc3ccc(Cl)cc3)n2)cc1 ZINC000033300915 523236538 /nfs/dbraw/zinc/23/65/38/523236538.db2.gz STCGOJDSFDKWPN-UHFFFAOYSA-N 0 0 451.939 4.157 50 0 JIAARN COc1ccc(-c2ncc3c(ncnc3SCC(=O)NCCc3ccc(Cl)cc3)n2)cc1 ZINC000033300918 523236800 /nfs/dbraw/zinc/23/68/00/523236800.db2.gz PAEQDRPWAZMXMS-UHFFFAOYSA-N 0 0 465.966 4.200 50 0 JIAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(=O)c1ccco1 ZINC000036117915 523238909 /nfs/dbraw/zinc/23/89/09/523238909.db2.gz FCFDKXRMVRDCDM-HXUWFJFHSA-N 0 0 498.601 4.033 50 0 JIAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(C)=O ZINC000036116876 523240156 /nfs/dbraw/zinc/24/01/56/523240156.db2.gz LCGJYRBSAWCVKQ-HSZRJFAPSA-N 0 0 458.624 4.261 50 0 JIAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)C(C)C ZINC000036115803 523240198 /nfs/dbraw/zinc/24/01/98/523240198.db2.gz YYUSIXLNPJSPLD-OAQYLSRUSA-N 0 0 479.042 4.427 50 0 JIAARN COc1ccc(-c2nnc(-c3ccc(C)c(S(=O)(=O)N4CCc5ccccc54)c3)o2)cc1OC ZINC000064988080 523249127 /nfs/dbraw/zinc/24/91/27/523249127.db2.gz YTIZURNHPQPEIP-UHFFFAOYSA-N 0 0 477.542 4.481 50 0 JIAARN CCn1c2cc(NC(=O)c3cccc(C)c3)c(S(=O)(=O)c3ccc(OC)cc3)cc2n(CC)c1=O ZINC000046141109 523257717 /nfs/dbraw/zinc/25/77/17/523257717.db2.gz FQYRWVOZJIYTAV-UHFFFAOYSA-N 0 0 493.585 4.245 50 0 JIAARN CCn1c2cc(NC(=O)c3cccc(C)c3)c(S(=O)(=O)c3ccccc3)cc2n(CC)c1=O ZINC000046145875 523258922 /nfs/dbraw/zinc/25/89/22/523258922.db2.gz HOXZWBQUHNYQQT-UHFFFAOYSA-N 0 0 463.559 4.236 50 0 JIAARN COCCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccc2c(c1)OCO2 ZINC000036114740 523266093 /nfs/dbraw/zinc/26/60/93/523266093.db2.gz RWVDWNQXFXPWJN-UHFFFAOYSA-N 0 0 454.548 4.438 50 0 JIAARN COCCCN(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)c1cccs1 ZINC000036114987 523266339 /nfs/dbraw/zinc/26/63/39/523266339.db2.gz MMDGDWFVNSSNIF-UHFFFAOYSA-N 0 0 462.593 4.480 50 0 JIAARN COc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccccc4Cl)c3=O)n2)cc1 ZINC000064971841 523271306 /nfs/dbraw/zinc/27/13/06/523271306.db2.gz YWBSUPKUVLQAAU-UHFFFAOYSA-N 0 0 464.909 4.483 50 0 JIAARN COc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4cc(Cl)ccc4OC)c3=O)n2)cc1 ZINC000064971871 523271705 /nfs/dbraw/zinc/27/17/05/523271705.db2.gz MJAQWIHBCKWLBT-UHFFFAOYSA-N 0 0 494.935 4.491 50 0 JIAARN COc1ccc(-c2noc(CSc3nc4c(-c5ccccc5)c[nH]c4c(=O)[nH]3)n2)cc1OC ZINC000021731024 523296418 /nfs/dbraw/zinc/29/64/18/523296418.db2.gz BRUZKWJKEHSUAJ-UHFFFAOYSA-N 0 0 461.503 4.278 50 0 JIAARN CN(Cc1cccc(Cl)c1)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000014846454 523300701 /nfs/dbraw/zinc/30/07/01/523300701.db2.gz GFPFBSUIPFCQCS-UHFFFAOYSA-N 0 0 455.917 4.359 50 0 JIAARN COc1ccc(-n2c(CNC(=O)[C@H]3CCOC(C)(C)C3)nnc2SCc2ccccc2)cc1 ZINC000012454587 523316251 /nfs/dbraw/zinc/31/62/51/523316251.db2.gz TVODJAWZYBRBLZ-IBGZPJMESA-N 0 0 466.607 4.390 50 0 JIAARN COc1ccc(/C=C/C(=O)N(Cc2ccco2)Cc2ccco2)cc1S(=O)(=O)N1CCCCC1 ZINC000030471932 523386549 /nfs/dbraw/zinc/38/65/49/523386549.db2.gz GJFSYGKQJPFSKI-ZRDIBKRKSA-N 0 0 484.574 4.298 50 0 JIAARN COc1ccc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc1I ZINC000015012209 523419718 /nfs/dbraw/zinc/41/97/18/523419718.db2.gz JVKAKQWHPYOHQO-ZSOIEALJSA-N 0 0 454.651 4.051 50 0 JIAARN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C ZINC000033170686 523434991 /nfs/dbraw/zinc/43/49/91/523434991.db2.gz ABAOEBXXIBPNHI-WQTVUKCASA-N 0 0 467.547 4.260 50 0 JIAARN CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3Sc3ccccc3)C2)c(C)n1 ZINC000013959993 523442460 /nfs/dbraw/zinc/44/24/60/523442460.db2.gz NWKFQRREBPWWCN-IBGZPJMESA-N 0 0 484.647 4.402 50 0 JIAARN COCCCn1c(=O)c2ccc(C(=O)OC)cc2nc1SCc1c(F)cccc1Cl ZINC000048325364 523497549 /nfs/dbraw/zinc/49/75/49/523497549.db2.gz UNCBEGVRNNPVNH-UHFFFAOYSA-N 0 0 450.919 4.304 50 0 JIAARN COc1ccc(Br)cc1CNC(=O)[C@@H]1CCCN(c2nc3cc(C)ccc3[nH]2)C1 ZINC000033072191 523498888 /nfs/dbraw/zinc/49/88/88/523498888.db2.gz VIJCNKMQPQLMKH-OAHLLOKOSA-N 0 0 457.372 4.175 50 0 JIAARN COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(OC)c(Cl)c3)c2c1=O ZINC000048989173 523508170 /nfs/dbraw/zinc/50/81/70/523508170.db2.gz BUHHBKYQKHJLLF-UHFFFAOYSA-N 0 0 480.952 4.202 50 0 JIAARN CN(Cc1nc(-c2ccccc2)cs1)C(=O)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O ZINC000014995424 523547262 /nfs/dbraw/zinc/54/72/62/523547262.db2.gz WAGJPQQITUQJSR-UHFFFAOYSA-N 0 0 498.608 4.185 50 0 JIAARN CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@@H]2C)c1 ZINC000016778670 523628091 /nfs/dbraw/zinc/62/80/91/523628091.db2.gz RMSRAQRVNZFHJG-QFBILLFUSA-N 0 0 462.637 4.469 50 0 JIAARN COc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCc4ccc5c(c4)OCO5)c3)C2)cc1 ZINC000033034699 523634244 /nfs/dbraw/zinc/63/42/44/523634244.db2.gz JAQCWAOTOSHWON-HSZRJFAPSA-N 0 0 472.541 4.374 50 0 JIAARN COc1ccc(C(=O)N2CCN(Cc3ccc(OC)c(OCc4ccccc4)c3)CC2)cc1OC ZINC000019723132 523645888 /nfs/dbraw/zinc/64/58/88/523645888.db2.gz WAFVBSGVCRKBFW-UHFFFAOYSA-N 0 0 476.573 4.249 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)CC(C)C ZINC000036121858 523649178 /nfs/dbraw/zinc/64/91/78/523649178.db2.gz YUCULKIJPYAKKJ-OAQYLSRUSA-N 0 0 458.624 4.082 50 0 JIAARN COC(=O)[C@@H](OC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F)c1ccccc1 ZINC000021788819 523649121 /nfs/dbraw/zinc/64/91/21/523649121.db2.gz YGQXGFNOLOEEAG-IBGZPJMESA-N 0 0 455.392 4.486 50 0 JIAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)C1CCCC1 ZINC000036121872 523649411 /nfs/dbraw/zinc/64/94/11/523649411.db2.gz OJNZWBMMFNMDGP-JOCHJYFZSA-N 0 0 470.635 4.227 50 0 JIAARN COc1ccc(C(=O)N2C[C@@H](C(=O)N(C)Cc3ccccc3)[C@@H](c3cccc(OC)c3)C2)cc1 ZINC000036060388 523666907 /nfs/dbraw/zinc/66/69/07/523666907.db2.gz ODGDXGTVQOKMHH-CLJLJLNGSA-N 0 0 458.558 4.218 50 0 JIAARN COc1ccc(C(=O)N2C[C@H](C(=O)N(C)Cc3ccccc3)[C@@H](c3cccc(OC)c3)C2)cc1 ZINC000036060389 523671028 /nfs/dbraw/zinc/67/10/28/523671028.db2.gz ODGDXGTVQOKMHH-FTJBHMTQSA-N 0 0 458.558 4.218 50 0 JIAARN COc1ccc(C(=O)N2c3cc(CNS(=O)(=O)c4ccc(C)cc4C)ccc3C[C@H]2C)cc1 ZINC000065003385 523676631 /nfs/dbraw/zinc/67/66/31/523676631.db2.gz FONJJWIOBNOIHV-LJQANCHMSA-N 0 0 464.587 4.382 50 0 JIAARN COc1ccc(C(=O)N2c3cc(CNS(=O)(=O)c4ccc(Cl)s4)ccc3C[C@H]2C)cc1 ZINC000065003373 523678895 /nfs/dbraw/zinc/67/88/95/523678895.db2.gz LDJARJFZWWBQQY-CQSZACIVSA-N 0 0 477.007 4.480 50 0 JIAARN CCc1c(C)sc2nc(S[C@@H](C)C(=O)NC3CCCCC3)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000011769758 523720327 /nfs/dbraw/zinc/72/03/27/523720327.db2.gz LEHBSTKLVGJYQF-RDJZCZTQSA-N 0 0 463.669 4.437 50 0 JIAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000036210132 523730706 /nfs/dbraw/zinc/73/07/06/523730706.db2.gz IVQBYBISIPBFBT-DEOSSOPVSA-N 0 0 498.023 4.012 50 0 JIAARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000012420391 523730742 /nfs/dbraw/zinc/73/07/42/523730742.db2.gz ITWYLNYYUVIYPC-QHCPKHFHSA-N 0 0 459.468 4.305 50 0 JIAARN CCn1nnc2cc(C(=O)OCC(=O)N3N=C(c4cccs4)C[C@@H]3c3cccs3)ccc21 ZINC000012214829 523763150 /nfs/dbraw/zinc/76/31/50/523763150.db2.gz QJTITGSPGPVNCK-GOSISDBHSA-N 0 0 465.560 4.109 50 0 JIAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1 ZINC000043716841 523778480 /nfs/dbraw/zinc/77/84/80/523778480.db2.gz QSURCAARSSEEPH-NDBXHCKUSA-N 0 0 450.494 4.094 50 0 JIAARN COc1ccc(C)cc1NC(=O)Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21 ZINC000067318104 523827881 /nfs/dbraw/zinc/82/78/81/523827881.db2.gz DYIPRWJMLCKHBC-UHFFFAOYSA-N 0 0 467.485 4.069 50 0 JIAARN CC[C@H](C)C(=O)Nc1c2cc(NC3CCSCC3)cnc2n(C[C@@H]2CCCO2)c1C(=O)OC ZINC000014748733 523837390 /nfs/dbraw/zinc/83/73/90/523837390.db2.gz JLTANLWRDFIRGY-YJBOKZPZSA-N 0 0 474.627 4.294 50 0 JIAARN CCc1cc(OCC(=O)NCc2ccc3c(c2)OCO3)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017100 523841246 /nfs/dbraw/zinc/84/12/46/523841246.db2.gz WYQWESYLDWWENO-UHFFFAOYSA-N 0 0 458.518 4.024 50 0 JIAARN CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4cnn(CC)c4C)c3n2)s1 ZINC000002794211 523853195 /nfs/dbraw/zinc/85/31/95/523853195.db2.gz UZVAPPRPTINFTG-UHFFFAOYSA-N 0 0 462.501 4.494 50 0 JIAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCN(c2cccc(OC)c2)CC1 ZINC000033173581 523854749 /nfs/dbraw/zinc/85/47/49/523854749.db2.gz DFFPCPPFIFDTGR-UHFFFAOYSA-N 0 0 495.523 4.442 50 0 JIAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2ccc(Br)cc2)c3=O)cc1 ZINC000033277765 523865861 /nfs/dbraw/zinc/86/58/61/523865861.db2.gz OIJBBYALJTURKW-UHFFFAOYSA-N 0 0 467.323 4.405 50 0 JIAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)S2(=O)=O)cc1 ZINC000008603137 523872400 /nfs/dbraw/zinc/87/24/00/523872400.db2.gz QOJFWHLSPHYOMO-IBGZPJMESA-N 0 0 490.581 4.289 50 0 JIAARN CN1CCN(C(=O)c2ccc(Cn3c4cnccc4nc3SCc3ccccc3F)cc2)CC1 ZINC000020415556 523881478 /nfs/dbraw/zinc/88/14/78/523881478.db2.gz BSJAHPWZFVJCPV-UHFFFAOYSA-N 0 0 475.593 4.299 50 0 JIAARN CCc1ccc(C(=O)N[C@@H](C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)s2)[C@H](C)CC)cc1 ZINC000016608146 523892328 /nfs/dbraw/zinc/89/23/28/523892328.db2.gz WKENYYXSLOKTTR-JLTOFOAXSA-N 0 0 466.563 4.279 50 0 JIAARN COC(=O)[C@H](CCSC)NC(=O)c1cc2c3ccccc3[nH]c2c(-c2cccc(OC)c2)n1 ZINC000008876591 523901309 /nfs/dbraw/zinc/90/13/09/523901309.db2.gz YSPHFCHSGYYINL-FQEVSTJZSA-N 0 0 463.559 4.416 50 0 biogenic JIAARN COc1ccc(CC(=O)NC[C@@H]2Cc3cc(F)cc(-c4ccc(C(C)=O)s4)c3O2)cc1OC ZINC000014979328 523901513 /nfs/dbraw/zinc/90/15/13/523901513.db2.gz IVSHTOTZMAAFLF-SFHVURJKSA-N 0 0 469.534 4.436 50 0 JIAARN COCCNC(=O)c1ccc(Cn2c(SCc3ccccc3)nc3ccccc3c2=O)cc1 ZINC000012414616 523923125 /nfs/dbraw/zinc/92/31/25/523923125.db2.gz HIQSSKNQFBWAET-UHFFFAOYSA-N 0 0 459.571 4.113 50 0 JIAARN COc1ccc(CCC(=O)NCc2cccc(CNC(=O)CCc3ccc(OC)cc3)c2)cc1 ZINC000016226131 523923415 /nfs/dbraw/zinc/92/34/15/523923415.db2.gz OZLVMPFZAMIYOF-UHFFFAOYSA-N 0 0 460.574 4.202 50 0 JIAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)COC ZINC000036115750 523926851 /nfs/dbraw/zinc/92/68/51/523926851.db2.gz PICCIPJOEPYRBJ-JXFKEZNVSA-N 0 0 465.015 4.180 50 0 JIAARN COCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242294 523927582 /nfs/dbraw/zinc/92/75/82/523927582.db2.gz ONAVKBHXRSFRHK-YTTGMZPUSA-N 0 0 468.962 4.043 50 0 JIAARN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000016047027 523928588 /nfs/dbraw/zinc/92/85/88/523928588.db2.gz BMAOTLKQIVCBQH-KRWDZBQOSA-N 0 0 494.592 4.430 50 0 JIAARN COCCNC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1ccccc1-c1ccccc1F)CC2 ZINC000014740920 523931888 /nfs/dbraw/zinc/93/18/88/523931888.db2.gz DZWINJMYKQOIQF-UHFFFAOYSA-N 0 0 492.595 4.310 50 0 JIAARN COc1ccc(CCN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1OC ZINC000021810498 523948062 /nfs/dbraw/zinc/94/80/62/523948062.db2.gz OQLJTSFGEZTBNN-HHHXNRCGSA-N 0 0 479.577 4.158 50 0 JIAARN COCCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc(NC(=O)C[C@H](C)CC(C)(C)C)c1 ZINC000016609456 523967860 /nfs/dbraw/zinc/96/78/60/523967860.db2.gz DGUVXTQBWPDJNC-KSFYIVLOSA-N 0 0 475.655 4.412 50 0 JIAARN COCCOC(=O)c1sc2[nH]c(C(Cl)=Cc3ccc4c(c3)OCCO4)nc(=O)c2c1C ZINC000016387315 523971788 /nfs/dbraw/zinc/97/17/88/523971788.db2.gz CNCSAKWZKCOCEK-LCYFTJDESA-N 0 0 462.911 4.017 50 0 JIAARN CCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000064972317 523988682 /nfs/dbraw/zinc/98/86/82/523988682.db2.gz ORAGJGRXFNEREG-DEOSSOPVSA-N 0 0 450.560 4.012 50 0 JIAARN COc1ccc(CN(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCC4)c2nccs2)cc1 ZINC000012498422 523988668 /nfs/dbraw/zinc/98/86/68/523988668.db2.gz WBQAPZMDNURXFM-UHFFFAOYSA-N 0 0 498.655 4.274 50 0 JIAARN COc1ccc(CN(C(=O)Nc2ccccc2)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000018180511 523990196 /nfs/dbraw/zinc/99/01/96/523990196.db2.gz MLYULPULNYEQKD-QHCPKHFHSA-N 0 0 459.502 4.070 50 0 JIAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccc(F)cc2F)n1 ZINC000036065911 524002202 /nfs/dbraw/zinc/00/22/02/524002202.db2.gz NEGIYRBDPZBYPD-HNNXBMFYSA-N 0 0 457.477 4.412 50 0 JIAARN CCc1ccc(OCC(=O)Nc2ccc(SCc3cc(=O)n4c(ncn4C(C)C)n3)cc2)cc1 ZINC000021797703 524005710 /nfs/dbraw/zinc/00/57/10/524005710.db2.gz YBZCJCFNXUDDEZ-UHFFFAOYSA-N 0 0 477.590 4.344 50 0 JIAARN CCc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1 ZINC000046123689 524011698 /nfs/dbraw/zinc/01/16/98/524011698.db2.gz RYVDBXAIDVZWDL-INIZCTEOSA-N 0 0 474.583 4.060 50 0 JIAARN CCc1ccc(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccc(Cl)cc32)cc1 ZINC000033249354 524018504 /nfs/dbraw/zinc/01/85/04/524018504.db2.gz HCCBGGMIQSHTKQ-UHFFFAOYSA-N 0 0 461.008 4.472 50 0 JIAARN COc1ccc(CN2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021852756 524021360 /nfs/dbraw/zinc/02/13/60/524021360.db2.gz KVIFRILEABKROQ-MHZLTWQESA-N 0 0 466.626 4.443 50 0 JIAARN COc1ccc(CN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3ccccc3)C2=O)cc1OC ZINC000002107398 524023494 /nfs/dbraw/zinc/02/34/94/524023494.db2.gz HGVHQYPXXPPFJS-FIPFOOKPSA-N 0 0 481.552 4.070 50 0 biogenic JIAARN CN1c2ccccc2-c2nc(SCC(=O)Nc3ccccc3C(F)(F)F)ncc2S1(=O)=O ZINC000008619454 524033990 /nfs/dbraw/zinc/03/39/90/524033990.db2.gz MXEOJRVCJZPFOB-UHFFFAOYSA-N 0 0 480.493 4.032 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3cc(C)nc4cc(-c5ccccc5)nn43)CC2)cc1OC ZINC000033275102 524046453 /nfs/dbraw/zinc/04/64/53/524046453.db2.gz GBMYBFLYPUCTNW-UHFFFAOYSA-N 0 0 485.588 4.255 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3ncccc3-c3nc(-c4ccccc4)no3)CC2)c(OC)c1 ZINC000049006488 524046769 /nfs/dbraw/zinc/04/67/69/524046769.db2.gz UZTBQBBZUDGWOQ-UHFFFAOYSA-N 0 0 499.571 4.349 50 0 JIAARN COc1ccc(CNC(=O)CSc2nccnc2N2CCC(Cc3ccccc3)CC2)cc1 ZINC000033170169 524053700 /nfs/dbraw/zinc/05/37/00/524053700.db2.gz ZOWHXOROMBUHSS-UHFFFAOYSA-N 0 0 462.619 4.353 50 0 JIAARN CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4cc(Cl)ccc4C)CC3)c2c1 ZINC000020213114 524061438 /nfs/dbraw/zinc/06/14/38/524061438.db2.gz YOYIEZMNLIHCEB-UHFFFAOYSA-N 0 0 453.970 4.074 50 0 JIAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nccn4nc(-c5ccc(F)cc5)cc34)C2)cc1OC ZINC000064958718 524062719 /nfs/dbraw/zinc/06/27/19/524062719.db2.gz QXUFSOQQRXOPAE-HXUWFJFHSA-N 0 0 489.551 4.085 50 0 JIAARN CCc1cccc(C)c1NC(=O)Cn1c2ccc(C)cc2c2ncn(Cc3nc(C4CC4)no3)c(=O)c21 ZINC000033281236 524064019 /nfs/dbraw/zinc/06/40/19/524064019.db2.gz FVOOCKGDKPACPH-UHFFFAOYSA-N 0 0 496.571 4.478 50 0 JIAARN CCc1cccc(C)c1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccc(C)cc2O1 ZINC000064986430 524065407 /nfs/dbraw/zinc/06/54/07/524065407.db2.gz OHSHBLFSPSRREJ-DEOSSOPVSA-N 0 0 480.586 4.469 50 0 JIAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054405 524121282 /nfs/dbraw/zinc/12/12/82/524121282.db2.gz WFNNIDDGSDRQDS-ZEQRLZLVSA-N 0 0 476.548 4.324 50 0 JIAARN Cc1ccc(C)c(N2CCN(C(=O)CCc3nc(-c4ccc(N5CCCC5)cc4)no3)CC2)c1 ZINC000033283275 524122067 /nfs/dbraw/zinc/12/20/67/524122067.db2.gz XCLIISHVLHUHBQ-UHFFFAOYSA-N 0 0 459.594 4.235 50 0 JIAARN Cc1cccc(-c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n2Cc2ccco2)c1 ZINC000008966269 524126726 /nfs/dbraw/zinc/12/67/26/524126726.db2.gz KTVKJHTXDHKOLA-UHFFFAOYSA-N 0 0 462.531 4.032 50 0 JIAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3ccc(F)c(F)c3)CC2)c1 ZINC000064947066 524126987 /nfs/dbraw/zinc/12/69/87/524126987.db2.gz HDPVXRZZFMYDLY-UHFFFAOYSA-N 0 0 491.585 4.406 50 0 JIAARN Cc1ccc(C)c(N2CCN(c3ccc(-c4ccc(C)c(S(=O)(=O)N5CCCC5)c4)nn3)CC2)c1 ZINC000065009167 524127203 /nfs/dbraw/zinc/12/72/03/524127203.db2.gz DMISTUPNRUSDKC-UHFFFAOYSA-N 0 0 491.661 4.180 50 0 JIAARN Cc1cccc(-c2nsc3c2ncn(CC(=O)Nc2ccc(Br)cc2F)c3=O)c1 ZINC000033300179 524136214 /nfs/dbraw/zinc/13/62/14/524136214.db2.gz XXDWSZJDYNWODC-UHFFFAOYSA-N 0 0 473.327 4.369 50 0 JIAARN Cc1ccc(C)c(NC(=O)Cn2c3c4cccnc4sc3c(=O)n(Cc3ccc(F)cc3)c2=O)c1 ZINC000064942427 524139420 /nfs/dbraw/zinc/13/94/20/524139420.db2.gz KPEBXQJHQHHFTM-UHFFFAOYSA-N 0 0 488.544 4.216 50 0 JIAARN Cc1cccc(C(=O)N2CCC([C@@H](NC(=O)c3ccccc3C)C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000036210831 524169770 /nfs/dbraw/zinc/16/97/70/524169770.db2.gz GEBAPMIBKBKNDZ-PXDATVDWSA-N 0 0 463.622 4.115 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)c1 ZINC000046124387 524188487 /nfs/dbraw/zinc/18/84/87/524188487.db2.gz LSWUAJHAYGPBBW-INIZCTEOSA-N 0 0 474.583 4.115 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccccc3F)s2)c1 ZINC000064941757 524188815 /nfs/dbraw/zinc/18/88/15/524188815.db2.gz SZTPLOHPJAMTRK-QGZVFWFLSA-N 0 0 460.556 4.072 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)N2CCc3c(c(COCc4ccc(F)cc4Cl)nn3C)C2)c1 ZINC000033282814 524190145 /nfs/dbraw/zinc/19/01/45/524190145.db2.gz KWMPWWNNANJHTP-UHFFFAOYSA-N 0 0 477.989 4.293 50 0 JIAARN C[C@@H](C(=O)NCCc1ccccc1)N1C(=O)COc2ccc(C(=O)COc3ccc(Cl)cc3)cc21 ZINC000037511913 524191199 /nfs/dbraw/zinc/19/11/99/524191199.db2.gz PMJCIGQXLJPWAQ-SFHVURJKSA-N 0 0 492.959 4.075 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@@H](c3cccn3C)C2)cc1C ZINC000036341909 524233085 /nfs/dbraw/zinc/23/30/85/524233085.db2.gz IWNMOIJNQQEYDN-MUUNZHRXSA-N 0 0 469.633 4.137 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000065315206 524235804 /nfs/dbraw/zinc/23/58/04/524235804.db2.gz YJACOGHMLBNJOB-UHFFFAOYSA-N 0 0 469.966 4.100 50 0 JIAARN C[C@@H]1CCCN(S(=O)(=O)c2cccc3c2cccc3S(=O)(=O)N2CCC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000008856081 524243726 /nfs/dbraw/zinc/24/37/26/524243726.db2.gz PADXEBZWMAZOEB-FGYAAKKASA-N 0 0 478.680 4.458 50 0 JIAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000064930941 524248846 /nfs/dbraw/zinc/24/88/46/524248846.db2.gz VXOQWDYRJGZEHS-HNNXBMFYSA-N 0 0 496.973 4.117 50 0 JIAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064931070 524250301 /nfs/dbraw/zinc/25/03/01/524250301.db2.gz MQDPHWAXKHBTLD-OAHLLOKOSA-N 0 0 496.973 4.117 50 0 JIAARN COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccc(SC)cc5)no4)ccc3c2=O)cc1 ZINC000038655359 524256988 /nfs/dbraw/zinc/25/69/88/524256988.db2.gz OCHCMVUCQWKUTF-UHFFFAOYSA-N 0 0 472.526 4.186 50 0 JIAARN COc1cccc2cc(C(=O)Nc3ccc(F)cc3)/c(=N/NS(=O)(=O)c3ccc(C)c(C)c3)oc21 ZINC000012437678 524259422 /nfs/dbraw/zinc/25/94/22/524259422.db2.gz SVUGQEOTTPVWKA-FVDSYPCUSA-N 0 0 495.532 4.244 50 0 JIAARN 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/nfs/dbraw/zinc/26/40/38/525264038.db2.gz MYFCGVKVRGQRNB-FQRUVTKNSA-N 0 0 499.567 4.254 50 0 JIAARN Cc1ccccc1NC(=O)c1nnc([C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)s1 ZINC000046124084 525266506 /nfs/dbraw/zinc/26/65/06/525266506.db2.gz ZWNAFBKBVYESOJ-OAHLLOKOSA-N 0 0 477.011 4.321 50 0 JIAARN COc1ccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4C)c4c(c32)n(C)c(=O)n(C)c4=O)cc1O ZINC000021659095 525267826 /nfs/dbraw/zinc/26/78/26/525267826.db2.gz BZXYCGVJHYIXOA-DEOSSOPVSA-N 0 0 494.551 4.232 50 0 JIAARN COc1ccc([C@@H]2Nc3ccccc3-n3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1O ZINC000021659058 525268020 /nfs/dbraw/zinc/26/80/20/525268020.db2.gz HWCKXPDNJIHWIB-DEOSSOPVSA-N 0 0 494.551 4.232 50 0 JIAARN Cc1ccccc1OC[C@H](O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000033320879 525314836 /nfs/dbraw/zinc/31/48/36/525314836.db2.gz GOLNSFYKUMDWRM-XZOQPEGZSA-N 0 0 455.558 4.301 50 0 JIAARN Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000064941025 525328029 /nfs/dbraw/zinc/32/80/29/525328029.db2.gz SQIHWGGNKBLKRO-MRXNPFEDSA-N 0 0 462.984 4.278 50 0 JIAARN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000018244874 525354505 /nfs/dbraw/zinc/35/45/05/525354505.db2.gz DAKLRVIWORURDB-CZAAIQMYSA-N 0 0 480.948 4.287 50 0 JIAARN Cc1ccc(OCC(=O)NC[C@@H]2CCC[C@@H](CNC(=O)COc3ccc(C)c(C)c3)C2)cc1C ZINC000020394858 525387790 /nfs/dbraw/zinc/38/77/90/525387790.db2.gz QEAGUPZNRKDYBT-DNQXCXABSA-N 0 0 466.622 4.417 50 0 JIAARN Cc1cc(Oc2cnn(C)c(=O)c2Nc2cccc(C(=O)NC[C@H]3CCCO3)c2)ccc1Cl ZINC000036073238 525388333 /nfs/dbraw/zinc/38/83/33/525388333.db2.gz UBJBDURRGDPHCS-LJQANCHMSA-N 0 0 468.941 4.187 50 0 JIAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccccc2F)n3C)cc1 ZINC000033321026 525395771 /nfs/dbraw/zinc/39/57/71/525395771.db2.gz HFWWCGPMOQTFDG-UHFFFAOYSA-N 0 0 460.509 4.011 50 0 JIAARN Cc1ccccc1[C@@]1(CC(=O)N2CCN(c3ccccc3)C[C@@H]2C)CC(=O)N(Cc2ccccc2)C1=O ZINC000039353779 525398350 /nfs/dbraw/zinc/39/83/50/525398350.db2.gz AEHXFXSCNBIOEJ-QXNWPYRLSA-N 0 0 495.623 4.319 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnnn2Cc2cccs2)cc1 ZINC000014129352 525405975 /nfs/dbraw/zinc/40/59/75/525405975.db2.gz SVRQZPIDIGAKOR-JOCHJYFZSA-N 0 0 490.614 4.262 50 0 JIAARN COc1ccc([C@H]2C[C@@H](c3ccc(I)cc3)Nc3ncnn32)c(OC)c1 ZINC000002918785 525426105 /nfs/dbraw/zinc/42/61/05/525426105.db2.gz KUJSTDDSVQXQOB-DLBZAZTESA-N 0 0 462.291 4.046 50 0 JIAARN COc1ccc([C@H]2Nc3ccccc3-n3c(-c4ccccc4C)c4c(c32)n(C)c(=O)n(C)c4=O)cc1O ZINC000021659097 525431137 /nfs/dbraw/zinc/43/11/37/525431137.db2.gz BZXYCGVJHYIXOA-XMMPIXPASA-N 0 0 494.551 4.232 50 0 JIAARN Cc1cc(SCC(=O)N2CCc3ccccc32)nc2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000033087605 525432208 /nfs/dbraw/zinc/43/22/08/525432208.db2.gz SCVNCQUVSDRSMT-UHFFFAOYSA-N 0 0 467.616 4.009 50 0 JIAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)NC(C)C)cc1 ZINC000036122925 525433677 /nfs/dbraw/zinc/43/36/77/525433677.db2.gz UEQGGXNFUIZCFL-JOCHJYFZSA-N 0 0 455.624 4.391 50 0 JIAARN COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCc2ccc(F)cc2)cc1 ZINC000020414005 525441189 /nfs/dbraw/zinc/44/11/89/525441189.db2.gz VNRDIJBBOXNDIW-VWLOTQADSA-N 0 0 457.505 4.188 50 0 JIAARN Cc1ccc(Oc2cc3c(cc2S(=O)(=O)N2CCOCC2)C(=O)Nc2cc(C)ccc2O3)cc1 ZINC000064986860 525473651 /nfs/dbraw/zinc/47/36/51/525473651.db2.gz NNHLBSKWQWZAQT-UHFFFAOYSA-N 0 0 480.542 4.475 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCN(c3ccc(NC(=O)Nc4cccc(C)c4)cn3)CC2)cc1 ZINC000034681396 525529061 /nfs/dbraw/zinc/52/90/61/525529061.db2.gz MUIGFIASHUWCJL-UHFFFAOYSA-N 0 0 479.606 4.243 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)c(C)c1 ZINC000046124408 525530974 /nfs/dbraw/zinc/53/09/74/525530974.db2.gz RGBKSPQKGGUZIK-MRXNPFEDSA-N 0 0 474.583 4.115 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4cccc(C(=O)N5CCCCC5)c4)no3)C2)cc1 ZINC000021884821 525531535 /nfs/dbraw/zinc/53/15/35/525531535.db2.gz PZMRWPRKCQELRF-JOCHJYFZSA-N 0 0 494.617 4.239 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3Cl)Oc3cc(C)ccc32)cc1 ZINC000064986059 525554514 /nfs/dbraw/zinc/55/45/14/525554514.db2.gz WCBUGMQVHVFFCI-QHCPKHFHSA-N 0 0 470.978 4.230 50 0 JIAARN COc1ccc2c(c1)Oc1ccccc1N=C2N1CCN(S(=O)(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC000034814604 525569947 /nfs/dbraw/zinc/56/99/47/525569947.db2.gz FHLBANGZZNGHGO-QGZVFWFLSA-N 0 0 481.549 4.413 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000040040456 525579396 /nfs/dbraw/zinc/57/93/96/525579396.db2.gz JEIPIJCDBYEZDU-VQTJNVASSA-N 0 0 479.602 4.134 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)c2ccccc2)cc1 ZINC000002376820 525580766 /nfs/dbraw/zinc/58/07/66/525580766.db2.gz XBQAKUBMBCZBHV-RUZDIDTESA-N 0 0 489.549 4.215 50 0 JIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)NCc1ccccc1)C(=O)N2Cc1cccc(OC)c1 ZINC000036163283 525581477 /nfs/dbraw/zinc/58/14/77/525581477.db2.gz KAXJASNDOIKPPN-HHHXNRCGSA-N 0 0 489.597 4.362 50 0 JIAARN Cc1ccn(CCC(=O)N2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3ccoc3C)CC2)n1 ZINC000014969588 525601243 /nfs/dbraw/zinc/60/12/43/525601243.db2.gz CHDQQEOTOTXKRN-RUZDIDTESA-N 0 0 462.594 4.105 50 0 JIAARN COc1ccc2c(c1)c1nc(SCC(=O)Nc3c(C)cc(C)cc3C)n(C)c(=O)c1n2C ZINC000033287694 525604225 /nfs/dbraw/zinc/60/42/25/525604225.db2.gz RNFGCMVETZKMPU-UHFFFAOYSA-N 0 0 450.564 4.090 50 0 JIAARN Cc1c(C(=O)NCC2(c3ccccc3)CCCC2)sc2ncnc(NC[C@H]3CCS(=O)(=O)C3)c12 ZINC000014990425 525606141 /nfs/dbraw/zinc/60/61/41/525606141.db2.gz KAVDCKVRWJRKKZ-GOSISDBHSA-N 0 0 498.674 4.088 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(OCc3nnc4c5ccccc5c(C)nn34)cc2)cc1 ZINC000012461869 525608816 /nfs/dbraw/zinc/60/88/16/525608816.db2.gz SAWCKROSYWVTFH-UHFFFAOYSA-N 0 0 459.531 4.274 50 0 JIAARN C[C@@H]1Oc2ccccc2C=C1/C=C(\NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1CCCO1 ZINC000008915456 525611077 /nfs/dbraw/zinc/61/10/77/525611077.db2.gz YLVSCBZHYVVCFQ-FVMWAANKSA-N 0 0 452.938 4.113 50 0 JIAARN COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3sccc3C)c(N3CCOCC3)nc2c1 ZINC000014883882 525625061 /nfs/dbraw/zinc/62/50/61/525625061.db2.gz RPAXTYXAPHSVNA-QFIPXVFZSA-N 0 0 481.618 4.271 50 0 JIAARN Cc1c(C(=O)NC[C@H]2OCCc3ccccc32)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000014986551 525625897 /nfs/dbraw/zinc/62/58/97/525625897.db2.gz VOZXOFIECLMLJC-RUZDIDTESA-N 0 0 465.557 4.170 50 0 JIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(Cc1ccc2c(c1)OCO2)C3=O ZINC000021856028 525642802 /nfs/dbraw/zinc/64/28/02/525642802.db2.gz MSGWNEUSHALXRV-NDEPHWFRSA-N 0 0 489.572 4.242 50 0 JIAARN Cc1cc2nc(COc3ccccc3NC(=O)COc3ccc(C(C)(C)C)cc3)cc(=O)n2o1 ZINC000035378568 525674307 /nfs/dbraw/zinc/67/43/07/525674307.db2.gz PIMNZQCTLUPZCE-UHFFFAOYSA-N 0 0 461.518 4.490 50 0 JIAARN COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)sc2c1 ZINC000016960232 525675861 /nfs/dbraw/zinc/67/58/61/525675861.db2.gz HYLSIWCDSDXUAV-UHFFFAOYSA-N 0 0 465.556 4.309 50 0 JIAARN Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c2cc1Cl ZINC000033361118 525690925 /nfs/dbraw/zinc/69/09/25/525690925.db2.gz YBPWLZPHVKDLNV-UHFFFAOYSA-N 0 0 482.989 4.415 50 0 JIAARN COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)CN2C[C@@H](c4ccccc4)CC2=O)C3)c1 ZINC000014982552 525708996 /nfs/dbraw/zinc/70/89/96/525708996.db2.gz FCYPJNYTXDRKKS-QHCPKHFHSA-N 0 0 486.568 4.108 50 0 JIAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccc(Cl)cc3)[C@H]3CCS(=O)(=O)C3)no2)cc1C ZINC000021786361 525715741 /nfs/dbraw/zinc/71/57/41/525715741.db2.gz JTLZTCNINOXHFZ-FQEVSTJZSA-N 0 0 458.967 4.441 50 0 JIAARN Cc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000033325602 525719510 /nfs/dbraw/zinc/71/95/10/525719510.db2.gz OODVGWSHKQHPAD-DEOSSOPVSA-N 0 0 477.630 4.313 50 0 JIAARN COc1cccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(C)cc4C)c3C)c(C)o2)c1OC ZINC000012414683 525727278 /nfs/dbraw/zinc/72/72/78/525727278.db2.gz LCNMARZVIARKRC-UHFFFAOYSA-N 0 0 461.522 4.485 50 0 JIAARN COc1cccc(-c2noc(-c3cc(N4CCC5(CC4)OCCO5)nc4ccccc43)n2)c1OC ZINC000033140386 525735934 /nfs/dbraw/zinc/73/59/34/525735934.db2.gz 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HGUQHLLWEUHFAO-BXTJHSDWSA-N 0 0 453.391 4.494 50 0 JIAARN COc1ccc(OC)c(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001173243 553923294 /nfs/dbraw/zinc/92/32/94/553923294.db2.gz WRNOZISMPLIACX-UHFFFAOYSA-N 0 0 488.993 4.177 50 0 JIAARN COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)cc1Cl ZINC000001784947 553988977 /nfs/dbraw/zinc/98/89/77/553988977.db2.gz MSEQUNIGFJGFBN-GFCCVEGCSA-N 0 0 460.987 4.305 50 0 JIAARN CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)c2ccccc2C1=O ZINC000001917087 554004131 /nfs/dbraw/zinc/00/41/31/554004131.db2.gz FZOFGHWGDWBWHM-QGZVFWFLSA-N 0 0 463.317 4.186 50 0 JIAARN CCc1cccc(CC)c1NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O ZINC000001917068 554004135 /nfs/dbraw/zinc/00/41/35/554004135.db2.gz SLKWZOGOFYBHQP-NRFANRHFSA-N 0 0 450.535 4.004 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)cc4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002064104 554018973 /nfs/dbraw/zinc/01/89/73/554018973.db2.gz AWFSQRGYRDEXCB-DLBLZJNESA-N 0 0 488.540 4.197 50 0 JIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2cc(C)cc(C)c2)cc1OC ZINC000002064815 554019684 /nfs/dbraw/zinc/01/96/84/554019684.db2.gz VEHBSASLXMGUJU-UHFFFAOYSA-N 0 0 468.575 4.463 50 0 JIAARN CCCCc1cc(=O)oc2cc(OC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)c(Cl)cc12 ZINC000002092514 554035935 /nfs/dbraw/zinc/03/59/35/554035935.db2.gz PAIXPOSSYWYDRA-HNNXBMFYSA-N 0 0 477.966 4.370 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Oc2ccc3c(C)cc(=O)oc3c2)c2ccccc2)cc1 ZINC000002093726 554037502 /nfs/dbraw/zinc/03/75/02/554037502.db2.gz PLBFLYWTDSQXKY-XMMPIXPASA-N 0 0 463.511 4.035 50 0 biogenic JIAARN CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(CC)cc(=O)oc2c1C ZINC000002094054 554037872 /nfs/dbraw/zinc/03/78/72/554037872.db2.gz YYYPMSQAJPIUTM-HXUWFJFHSA-N 0 0 457.548 4.025 50 0 biogenic JIAARN O=C1CN(C[C@H](O)c2ccccc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](CCc3ccccc3)N12 ZINC000002094347 554038180 /nfs/dbraw/zinc/03/81/80/554038180.db2.gz VWBDAIDVIJWGOX-PVHODMMVSA-N 0 0 479.580 4.171 50 0 biogenic JIAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002095096 554039622 /nfs/dbraw/zinc/03/96/22/554039622.db2.gz COEIXXNOSBKRKI-BXKMTCNYSA-N 0 0 483.586 4.279 50 0 JIAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)N3CCC(C(N)=O)CC3)c(=O)oc12 ZINC000002117737 554053931 /nfs/dbraw/zinc/05/39/31/554053931.db2.gz AYDIMHHOFJKSEM-UHFFFAOYSA-N 0 0 452.551 4.110 50 0 biogenic JIAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccc(F)cc3)CC(=O)N21 ZINC000002118898 554054773 /nfs/dbraw/zinc/05/47/73/554054773.db2.gz GOYNEORKEKYKKI-HOFKKMOUSA-N 0 0 469.516 4.201 50 0 biogenic JIAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002124472 554057747 /nfs/dbraw/zinc/05/77/47/554057747.db2.gz ZIOIZKBNJBSFQR-HOYKHHGWSA-N 0 0 471.509 4.128 50 0 biogenic JIAARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000002148736 554068165 /nfs/dbraw/zinc/06/81/65/554068165.db2.gz XIJZSWMHHVANJO-NYHFZMIOSA-N 0 0 471.575 4.325 50 0 JIAARN CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000002149836 554069016 /nfs/dbraw/zinc/06/90/16/554069016.db2.gz BAEOJOGMJJXJAN-OAQYLSRUSA-N 0 0 471.575 4.469 50 0 biogenic JIAARN CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 ZINC000002150247 554069335 /nfs/dbraw/zinc/06/93/35/554069335.db2.gz QLXKFUKKIMOPKW-IBGZPJMESA-N 0 0 457.548 4.079 50 0 biogenic JIAARN COc1ccc(N2C(=O)c3cc(OC)c(OC)cc3N3C(=O)c4c(ccc(OC)c4OC)[C@H]32)cc1 ZINC000002151083 554069630 /nfs/dbraw/zinc/06/96/30/554069630.db2.gz RHRQYOVPLUNHMP-DEOSSOPVSA-N 0 0 476.485 4.049 50 0 biogenic JIAARN O=S(=O)(NC1CCCCC1)c1ccc2c(c1)Cc1cc(S(=O)(=O)NC3CCCCC3)ccc1-2 ZINC000002171939 554076989 /nfs/dbraw/zinc/07/69/89/554076989.db2.gz NBPBPBRYNOWSHQ-UHFFFAOYSA-N 0 0 488.675 4.480 50 0 JIAARN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccccc4O)c(=O)n31)c1ccccc1CC2 ZINC000002185230 554082290 /nfs/dbraw/zinc/08/22/90/554082290.db2.gz DMBBRBDVTMWFKK-GTWFGUSFSA-N 0 0 466.562 4.033 50 0 JIAARN COc1cccc(N2CCN(C(=O)c3cnn4c3N[C@H](c3ccco3)C[C@H]4C(F)(F)F)CC2)c1 ZINC000002194674 554088653 /nfs/dbraw/zinc/08/86/53/554088653.db2.gz BZZBSTSWUJILQC-ICSRJNTNSA-N 0 0 475.471 4.107 50 0 JIAARN C[C@H](C(=O)N[C@H](c1ccccc1)c1ccccc1Br)N1C(=O)c2ccccc2C1=O ZINC000002206269 554092887 /nfs/dbraw/zinc/09/28/87/554092887.db2.gz WHXIHKIRSHMIJD-QVKFZJNVSA-N 0 0 463.331 4.339 50 0 JIAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1-c1ccccc1 ZINC000002230510 554105111 /nfs/dbraw/zinc/10/51/11/554105111.db2.gz GBURHRZQAPBPFY-UHFFFAOYSA-N 0 0 474.542 4.445 50 0 JIAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000002235767 554107520 /nfs/dbraw/zinc/10/75/20/554107520.db2.gz JETNWMNWSUGZGW-UHFFFAOYSA-N 0 0 460.515 4.402 50 0 JIAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3ccccc3)sc2=N1 ZINC000002237683 554108155 /nfs/dbraw/zinc/10/81/55/554108155.db2.gz SFTFZWOJJXAYSA-FOOJEKODSA-N 0 0 469.541 4.013 50 0 JIAARN Nc1c(S(=O)(=O)c2cc(Cl)ccc2Cl)c2nc3ccccc3nc2n1C[C@H]1CCCO1 ZINC000002244800 554110521 /nfs/dbraw/zinc/11/05/21/554110521.db2.gz UGHZUYNWEMZOEI-CYBMUJFWSA-N 0 0 477.373 4.485 50 0 JIAARN COc1ccccc1Cn1c(N)c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000002255335 554118375 /nfs/dbraw/zinc/11/83/75/554118375.db2.gz YTHNMWVGXXWSMY-UHFFFAOYSA-N 0 0 462.506 4.196 50 0 JIAARN CCN(CC)C(=O)/C(=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NC(=O)c1ccccc1 ZINC000002266871 554125203 /nfs/dbraw/zinc/12/52/03/554125203.db2.gz HAMDKHVRVRXBBY-PLRJNAJWSA-N 0 0 492.597 4.402 50 0 JIAARN Cc1cccc(-n2c(N)c(C(=O)NCc3ccc4c(c3)OCO4)c3nc4ccccc4nc32)c1C ZINC000002291500 554135659 /nfs/dbraw/zinc/13/56/59/554135659.db2.gz LEJHBGCGPFOTRN-UHFFFAOYSA-N 0 0 465.513 4.431 50 0 JIAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000002316224 554145686 /nfs/dbraw/zinc/14/56/86/554145686.db2.gz QGMDWXNRKHAYQL-LMSRTUJASA-N 0 0 499.636 4.413 50 0 JIAARN CCc1c(C)c2ccc(OCC(=O)Nc3ccc(I)cc3)cc2oc1=O ZINC000002320630 554147336 /nfs/dbraw/zinc/14/73/36/554147336.db2.gz PTEDOXBBBJOZBL-UHFFFAOYSA-N 0 0 463.271 4.286 50 0 JIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 ZINC000002329669 554150742 /nfs/dbraw/zinc/15/07/42/554150742.db2.gz AHLFPMGELDHIAO-LJQANCHMSA-N 0 0 495.285 4.388 50 0 JIAARN COc1cccc(-c2nnc(SCC(=O)Nc3cc4oc5ccccc5c4cc3OC)n2N)c1 ZINC000002335552 554153435 /nfs/dbraw/zinc/15/34/35/554153435.db2.gz CALQHGNXJOLIDE-UHFFFAOYSA-N 0 0 475.530 4.306 50 0 JIAARN COc1ccccc1NC(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 ZINC000002340828 554155931 /nfs/dbraw/zinc/15/59/31/554155931.db2.gz OVHUZXBIUNZOAP-UHFFFAOYSA-N 0 0 450.520 4.238 50 0 JIAARN C[C@@H](c1ccccc1)n1c(N)c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002340838 554155946 /nfs/dbraw/zinc/15/59/46/554155946.db2.gz SQQHLJFPEVGMTA-INIZCTEOSA-N 0 0 465.513 4.435 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)cc1 ZINC000002342343 554156628 /nfs/dbraw/zinc/15/66/28/554156628.db2.gz GEVYLHRMPBKRDL-UHFFFAOYSA-N 0 0 450.520 4.238 50 0 JIAARN CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000002350499 554161120 /nfs/dbraw/zinc/16/11/20/554161120.db2.gz MBCURDRBKZMRHT-QFIPXVFZSA-N 0 0 469.559 4.033 50 0 JIAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)n2N)cc1 ZINC000002361893 554166223 /nfs/dbraw/zinc/16/62/23/554166223.db2.gz KAWOHZHEPBKJRD-UHFFFAOYSA-N 0 0 475.574 4.367 50 0 JIAARN COc1ccc(CCn2c(N)c(C(=O)NCc3ccc(F)cc3)c3nc4ccccc4nc32)cc1OC ZINC000002369250 554169372 /nfs/dbraw/zinc/16/93/72/554169372.db2.gz JHTOKRRCQQZKIJ-UHFFFAOYSA-N 0 0 499.546 4.496 50 0 JIAARN CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002384446 554176963 /nfs/dbraw/zinc/17/69/63/554176963.db2.gz NZMNHNRRSYXINX-JOCHJYFZSA-N 0 0 469.559 4.033 50 0 JIAARN COC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(C(C)=O)=NN2c2ccc(OC)cc2)S1 ZINC000002407497 554189864 /nfs/dbraw/zinc/18/98/64/554189864.db2.gz NTGIOXGXMAIKKE-QFIPXVFZSA-N 0 0 455.561 4.420 50 0 JIAARN COc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002410744 554191692 /nfs/dbraw/zinc/19/16/92/554191692.db2.gz XZWCBPKCGOACNU-UZLBHIALSA-N 0 0 470.319 4.288 50 0 JIAARN COc1cccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000002416771 554195628 /nfs/dbraw/zinc/19/56/28/554195628.db2.gz UKLMBWJPBYULPS-OXQOHEQNSA-N 0 0 470.319 4.288 50 0 JIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002419750 554197505 /nfs/dbraw/zinc/19/75/05/554197505.db2.gz PCUWMGZJRSWGRU-OXJNMPFZSA-N 0 0 498.329 4.066 50 0 JIAARN Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000002430055 554204156 /nfs/dbraw/zinc/20/41/56/554204156.db2.gz HBLYGMAGAZQAPP-UHFFFAOYSA-N 0 0 463.588 4.058 50 0 JIAARN O=C(CSc1nnc(-c2cnccn2)n1-c1ccccc1)Nc1cccc(Br)c1 ZINC000002430069 554204236 /nfs/dbraw/zinc/20/42/36/554204236.db2.gz ROJIMRYPIQXPGT-UHFFFAOYSA-N 0 0 467.352 4.218 50 0 JIAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)Nc1nc2ccccc2s1 ZINC000002459486 554223010 /nfs/dbraw/zinc/22/30/10/554223010.db2.gz FTFOXUNHEKTZNN-UHFFFAOYSA-N 0 0 470.576 4.360 50 0 JIAARN COc1ccc(Br)cc1[C@@H]1C(C(=O)OCC(C)C)=C(C)N=C2SCCC(=O)N21 ZINC000002486137 554226347 /nfs/dbraw/zinc/22/63/47/554226347.db2.gz XPVUKFWSLSKCND-GOSISDBHSA-N 0 0 467.385 4.307 50 0 JIAARN O=C(c1ccncc1)N(c1cc2sc(=O)oc2c2ccccc21)S(=O)(=O)c1ccccc1 ZINC000002493449 554227653 /nfs/dbraw/zinc/22/76/53/554227653.db2.gz KJMVLEXOVOPHPW-UHFFFAOYSA-N 0 0 462.508 4.438 50 0 JIAARN CCOc1ccccc1NC(=O)CSc1nnc([C@H](CC)N(C)C)n1Cc1ccccc1 ZINC000002623560 554247694 /nfs/dbraw/zinc/24/76/94/554247694.db2.gz CYPUQNRGVYACOD-FQEVSTJZSA-N 0 0 453.612 4.469 50 0 JIAARN CC(C)N(C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)C(C)C ZINC000002623974 554248237 /nfs/dbraw/zinc/24/82/37/554248237.db2.gz HGBNUOVYBMVBML-UHFFFAOYSA-N 0 0 452.580 4.460 50 0 JIAARN CC(=O)c1ccc(N2CCN(Cc3nc(=O)c4c(-c5cccs5)csc4[nH]3)CC2)cc1 ZINC000002625970 554249846 /nfs/dbraw/zinc/24/98/46/554249846.db2.gz TUGRJOLBNSECNB-UHFFFAOYSA-N 0 0 450.589 4.238 50 0 JIAARN O=C(COC(=O)c1oc2ccccc2c1COc1ccccc1)N1CC(=O)Nc2ccccc21 ZINC000002629029 554251824 /nfs/dbraw/zinc/25/18/24/554251824.db2.gz NURLKZGSTCGWDF-UHFFFAOYSA-N 0 0 456.454 4.154 50 0 JIAARN Cc1cc(NC(=O)COC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)no1 ZINC000002631053 554253158 /nfs/dbraw/zinc/25/31/58/554253158.db2.gz MEPLJTLDJMZBMC-UHFFFAOYSA-N 0 0 470.938 4.308 50 0 JIAARN Cc1ccc(-n2c(=O)c3ccc(Cl)cc3nc2SCC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000002644664 554262484 /nfs/dbraw/zinc/26/24/84/554262484.db2.gz HKVOYQDYMIYQRA-UHFFFAOYSA-N 0 0 490.972 4.425 50 0 JIAARN COc1ccc(CCNC(=O)COc2ncnc3scc(-c4ccc(OC)c(OC)c4)c32)cc1 ZINC000002648064 554264995 /nfs/dbraw/zinc/26/49/95/554264995.db2.gz JFLIYXCOHPUUNZ-UHFFFAOYSA-N 0 0 479.558 4.122 50 0 JIAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCc2csc(-c3ccccc3)n2)C(C)C)c1 ZINC000002648195 554265026 /nfs/dbraw/zinc/26/50/26/554265026.db2.gz MEZOPJTZJYJHDS-NRFANRHFSA-N 0 0 454.548 4.325 50 0 JIAARN Cc1cc(C)c(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2cccs2)c1C ZINC000002649854 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453.305 4.190 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3cccc(C)c3)n2CC)cc1 ZINC000008400774 554576182 /nfs/dbraw/zinc/57/61/82/554576182.db2.gz HGLFBMFFJZBYRY-QGZVFWFLSA-N 0 0 495.605 4.005 50 0 JIAARN COc1ccc(OC)c([C@@H]2C3=C(N=c4s/c(=C/c5ccccc5)c(=O)n42)c2ccccc2CC3)c1 ZINC000008437183 554588145 /nfs/dbraw/zinc/58/81/45/554588145.db2.gz OMBCYMKEIYLCNC-QPJBPQEWSA-N 0 0 480.589 4.336 50 0 JIAARN C/C(C=NNC(=O)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1)=C\c1ccccc1 ZINC000008454027 554599308 /nfs/dbraw/zinc/59/93/08/554599308.db2.gz XUWIIABDLLAHST-NANQRBRQSA-N 0 0 458.272 4.014 50 0 JIAARN COc1ccc(NC(=O)CCCc2nnc3n2c2ccsc2c(=O)n3CCC(C)C)c(OC)c1 ZINC000008589763 554602292 /nfs/dbraw/zinc/60/22/92/554602292.db2.gz REARURMTYNRSBR-UHFFFAOYSA-N 0 0 483.594 4.130 50 0 JIAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3c(Cl)cc(Br)cc3Cl)CC2)cc1 ZINC000008747387 554650629 /nfs/dbraw/zinc/65/06/29/554650629.db2.gz RZFJMHYGUMPVSY-UHFFFAOYSA-N 0 0 492.222 4.469 50 0 JIAARN Cc1sc2nc(C)nc(SCC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)c2c1C ZINC000008747861 554650659 /nfs/dbraw/zinc/65/06/59/554650659.db2.gz OYJFCNBJZZTGKX-UHFFFAOYSA-N 0 0 461.634 4.304 50 0 JIAARN C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccc2c(c1)CCCC2 ZINC000008750289 554652517 /nfs/dbraw/zinc/65/25/17/554652517.db2.gz YEALZCAULMPSOF-XMSQKQJNSA-N 0 0 477.630 4.424 50 0 JIAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)n2N)cc1 ZINC000008750458 554652767 /nfs/dbraw/zinc/65/27/67/554652767.db2.gz LDAZJLSKYNSTNZ-GOSISDBHSA-N 0 0 486.601 4.189 50 0 JIAARN COc1ccc(C2(CN3C(=O)N[C@@H](CCC(=O)Nc4ccc(C(C)C)cc4)C3=O)CCOCC2)cc1 ZINC000008765051 554665654 /nfs/dbraw/zinc/66/56/54/554665654.db2.gz DBAUCDHFBLHFLV-DEOSSOPVSA-N 0 0 493.604 4.411 50 0 biogenic JIAARN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000008767389 554668035 /nfs/dbraw/zinc/66/80/35/554668035.db2.gz TWFZKSXIQROCLJ-XQNSMLJCSA-N 0 0 491.544 4.471 50 0 JIAARN COc1ccc2c(c1)c1c(c(=O)n(-c3cccc(Cl)c3)c(=O)n1Cc1cccc(OC)c1)n2C ZINC000008768524 554669177 /nfs/dbraw/zinc/66/91/77/554669177.db2.gz RKKJFJYYWYQJTN-UHFFFAOYSA-N 0 0 475.932 4.363 50 0 JIAARN Cc1ccccc1CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000008771103 554670963 /nfs/dbraw/zinc/67/09/63/554670963.db2.gz XZQCTXSCCUDMOK-UHFFFAOYSA-N 0 0 466.559 4.229 50 0 JIAARN CN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000008771423 554671254 /nfs/dbraw/zinc/67/12/54/554671254.db2.gz JFVYABSSGLYXHS-UHFFFAOYSA-N 0 0 470.978 4.242 50 0 JIAARN CN1C(=O)N(C)C(=O)C2(Cc3cc(C(F)(F)F)ccc3N3CC[C@@H](c4ccccc4)C[C@H]32)C1=O ZINC000008773752 554673221 /nfs/dbraw/zinc/67/32/21/554673221.db2.gz KPFUVDIMYHFGLQ-UZLBHIALSA-N 0 0 471.479 4.051 50 0 JIAARN Cc1nn(Cc2nc(-c3ccc(Cl)cc3)no2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000008776236 554674380 /nfs/dbraw/zinc/67/43/80/554674380.db2.gz ISYBTUWTPNEYRV-UHFFFAOYSA-N 0 0 469.954 4.003 50 0 JIAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2Cc2ccco2)c1 ZINC000008777396 554674626 /nfs/dbraw/zinc/67/46/26/554674626.db2.gz VEKSCZUFPAJVDX-UHFFFAOYSA-N 0 0 470.938 4.255 50 0 JIAARN Cc1ccc2nc(-c3ccccc3)c(CN(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)n2c1 ZINC000008778734 554675443 /nfs/dbraw/zinc/67/54/43/554675443.db2.gz NQNCKHVCIYMRMJ-UHFFFAOYSA-N 0 0 469.589 4.217 50 0 JIAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)N(C)c3cccc(OC)n3)[C@H]2c2ccccc2OC)cc1 ZINC000008780533 554677505 /nfs/dbraw/zinc/67/75/05/554677505.db2.gz CNMACWVMEDCZRP-QFQXNSOFSA-N 0 0 475.545 4.255 50 0 JIAARN O=C(CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000008780180 554677556 /nfs/dbraw/zinc/67/75/56/554677556.db2.gz UHPCZVPBWBJBOJ-UHFFFAOYSA-N 0 0 478.593 4.085 50 0 JIAARN COC(=O)c1sccc1NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(OC)cc1 ZINC000008781528 554678442 /nfs/dbraw/zinc/67/84/42/554678442.db2.gz NUHYDULBZDRGAL-UHFFFAOYSA-N 0 0 492.600 4.075 50 0 JIAARN COc1ccc(OC)c(-c2nc(C(=O)NCCCn3ccnc3)cc3c4ccccc4[nH]c32)c1 ZINC000008789023 554680891 /nfs/dbraw/zinc/68/08/91/554680891.db2.gz KPZGLHMGUMZXHE-UHFFFAOYSA-N 0 0 455.518 4.417 50 0 biogenic JIAARN CC(C)OCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](C)N2C1=O ZINC000008790008 554683140 /nfs/dbraw/zinc/68/31/40/554683140.db2.gz XWZLVGBPHBJKDR-HXOBKFHXSA-N 0 0 474.561 4.167 50 0 biogenic JIAARN O=C(NC1CCCCC1)C1(N(C[C@H]2CCCO2)C(=O)c2ccc3c(c2)OCO3)CCCCC1 ZINC000008801938 554687228 /nfs/dbraw/zinc/68/72/28/554687228.db2.gz WKPVGRNNUUPOAK-OAQYLSRUSA-N 0 0 456.583 4.188 50 0 JIAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000008809417 554688226 /nfs/dbraw/zinc/68/82/26/554688226.db2.gz JUUMWLVNGDSKAG-XXJFGQCWSA-N 0 0 485.392 4.380 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3c4cccc5cccc(c45)C3=O)cc2)cc1 ZINC000008815813 554697414 /nfs/dbraw/zinc/69/74/14/554697414.db2.gz RVDLFCXWIQVCGE-UHFFFAOYSA-N 0 0 487.537 4.248 50 0 JIAARN Cc1c(NC(=O)/C(=C/c2ccc(F)cc2)NC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000008818867 554702829 /nfs/dbraw/zinc/70/28/29/554702829.db2.gz WSMOUQRGNGMIDP-QJOMJCCJSA-N 0 0 470.504 4.033 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008824252 554711233 /nfs/dbraw/zinc/71/12/33/554711233.db2.gz BUHASDVDHJDVAZ-UHFFFAOYSA-N 0 0 459.608 4.112 50 0 JIAARN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008824905 554712553 /nfs/dbraw/zinc/71/25/53/554712553.db2.gz JQEDJYGZYRMDLX-GOSISDBHSA-N 0 0 468.497 4.047 50 0 JIAARN CC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)o1 ZINC000008825306 554713491 /nfs/dbraw/zinc/71/34/91/554713491.db2.gz VFSCXSBHUONRGL-UHFFFAOYSA-N 0 0 467.934 4.243 50 0 JIAARN O=C(Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000008826051 554715163 /nfs/dbraw/zinc/71/51/63/554715163.db2.gz JTGWIRZIYSWXCI-UHFFFAOYSA-N 0 0 486.616 4.309 50 0 JIAARN COc1ccc(OCc2nnc(SCC(=O)NC(=O)NC3CCCCC3)n2-c2ccccc2)cc1 ZINC000008826352 554715887 /nfs/dbraw/zinc/71/58/87/554715887.db2.gz MQJZYOJEKVWFEK-UHFFFAOYSA-N 0 0 495.605 4.106 50 0 JIAARN COc1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000008826485 554716291 /nfs/dbraw/zinc/71/62/91/554716291.db2.gz SOLCDDSMOCZUBX-UHFFFAOYSA-N 0 0 494.598 4.287 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2CCC(C)C)cc1 ZINC000008828895 554719449 /nfs/dbraw/zinc/71/94/49/554719449.db2.gz QRUPMNJSLMXERI-NRFANRHFSA-N 0 0 469.513 4.215 50 0 JIAARN COc1cc(C(=O)Nc2sc3ccccc3c(=O)c2C(=O)NCc2ccco2)cc(OC)c1OC ZINC000008836317 554736091 /nfs/dbraw/zinc/73/60/91/554736091.db2.gz NZONKFYBJDKBEX-UHFFFAOYSA-N 0 0 494.525 4.063 50 0 JIAARN COc1ccc(Cn2c(N)c(C(=O)Nc3ccccc3)c3nc4ccccc4nc32)cc1OC ZINC000008836615 554736701 /nfs/dbraw/zinc/73/67/01/554736701.db2.gz ICNQHQKNGNSWJA-UHFFFAOYSA-N 0 0 453.502 4.485 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000008839842 554739815 /nfs/dbraw/zinc/73/98/15/554739815.db2.gz ARBWHKBGBNEZPJ-HSZRJFAPSA-N 0 0 476.558 4.030 50 0 JIAARN Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)n[nH]2)c1 ZINC000008845330 554742391 /nfs/dbraw/zinc/74/23/91/554742391.db2.gz UCSSWPPRESVZFR-HNNXBMFYSA-N 0 0 468.579 4.072 50 0 JIAARN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=c2\sc3nc4ccccc4n3c2=O)cc1 ZINC000008846413 554744824 /nfs/dbraw/zinc/74/48/24/554744824.db2.gz JLPOLOMGBSWMRE-BKUYFWCQSA-N 0 0 482.970 4.186 50 0 JIAARN COC(=O)[C@@](NC(=O)Nc1ccc(OC(F)(F)F)cc1)(Nc1ccccc1)C(F)(F)F ZINC000008846667 554745532 /nfs/dbraw/zinc/74/55/32/554745532.db2.gz KNPBQBVYSPGTJH-INIZCTEOSA-N 0 0 451.323 4.250 50 0 JIAARN O=C(CSc1nc2ccccc2s1)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000008848094 554746179 /nfs/dbraw/zinc/74/61/79/554746179.db2.gz MPWYNZIOWYNQCF-IBGZPJMESA-N 0 0 453.589 4.195 50 0 JIAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000008848602 554746325 /nfs/dbraw/zinc/74/63/25/554746325.db2.gz WPPYMCBBZXYCPI-UHFFFAOYSA-N 0 0 458.591 4.140 50 0 JIAARN COc1ccc(CCNC(=O)Cc2csc(SCc3cc(OC)cc(OC)c3)n2)cc1 ZINC000008853682 554749513 /nfs/dbraw/zinc/74/95/13/554749513.db2.gz LBPIYWNOOPOYNJ-UHFFFAOYSA-N 0 0 458.605 4.363 50 0 JIAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)cc2)C1 ZINC000008857573 554754422 /nfs/dbraw/zinc/75/44/22/554754422.db2.gz QQKPYUSBWULSHD-PMACEKPBSA-N 0 0 476.664 4.195 50 0 JIAARN COc1ccc(-c2nc3sc(CCNC(=O)c4cc(Cl)ccc4OC)c(C)n3n2)cc1 ZINC000008860334 554757046 /nfs/dbraw/zinc/75/70/46/554757046.db2.gz RMLKBFHDFGRYSB-UHFFFAOYSA-N 0 0 456.955 4.409 50 0 JIAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)c1C ZINC000008862268 554759897 /nfs/dbraw/zinc/75/98/97/554759897.db2.gz WBOIREINJWUMBX-GOSISDBHSA-N 0 0 456.543 4.386 50 0 JIAARN Cc1c2ccccc2oc1C(=O)N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000008869158 554762862 /nfs/dbraw/zinc/76/28/62/554762862.db2.gz OYWOQQPUHSDDFM-QGZVFWFLSA-N 0 0 462.365 4.333 50 0 JIAARN COc1cc(CN(C[C@@H]2CCCO2)C(=O)COc2ccc(Br)cc2)cc(OC)c1OC ZINC000008869917 554764145 /nfs/dbraw/zinc/76/41/45/554764145.db2.gz MALIEEUJUIHIAJ-IBGZPJMESA-N 0 0 494.382 4.062 50 0 JIAARN COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4C)cc21 ZINC000008871876 554767822 /nfs/dbraw/zinc/76/78/22/554767822.db2.gz USIKSSDMEIELRO-UHFFFAOYSA-N 0 0 494.525 4.088 50 0 JIAARN CCCc1ccc(OCCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000008873343 554770021 /nfs/dbraw/zinc/77/00/21/554770021.db2.gz CRRFZEGCUHISOT-RUZDIDTESA-N 0 0 466.603 4.141 50 0 JIAARN C[C@H](C(=O)NC[C@@H]1CCCO1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000008876615 554771867 /nfs/dbraw/zinc/77/18/67/554771867.db2.gz HVILSMUKLGZTIY-LFRPXUGBSA-N 0 0 462.974 4.418 50 0 JIAARN COc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1S(=O)(=O)N1CCCC1 ZINC000008879538 554775169 /nfs/dbraw/zinc/77/51/69/554775169.db2.gz OHGPXDFNAAOXLT-QFIPXVFZSA-N 0 0 488.656 4.391 50 0 JIAARN COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)c2cc(C)n(CCc3ccccc3)c2C)C1=O ZINC000008895554 554785116 /nfs/dbraw/zinc/78/51/16/554785116.db2.gz CCCGFFGBKVAIFQ-NDEPHWFRSA-N 0 0 473.573 4.092 50 0 JIAARN CN(Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1)Cc1ccccc1N1CCOCC1 ZINC000008898151 554788411 /nfs/dbraw/zinc/78/84/11/554788411.db2.gz OOTRVUWXYZDCNR-UHFFFAOYSA-N 0 0 464.566 4.259 50 0 JIAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)C3CCCCC3)C2=O)cc1 ZINC000008900357 554792561 /nfs/dbraw/zinc/79/25/61/554792561.db2.gz XPRZNMISSUSLHK-HHHXNRCGSA-N 0 0 463.578 4.304 50 0 JIAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N[C@H]2CCCC[C@H]2C)s1 ZINC000008912492 554802977 /nfs/dbraw/zinc/80/29/77/554802977.db2.gz CEBXOPJWGPNOOW-WBVHZDCISA-N 0 0 456.655 4.459 50 0 JIAARN O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)N1CCN(c2ccccc2)CC1 ZINC000008913764 554806781 /nfs/dbraw/zinc/80/67/81/554806781.db2.gz YZFHERZROSBKDQ-UHFFFAOYSA-N 0 0 457.603 4.245 50 0 JIAARN Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Nc3ccc(OC(F)F)cc3)n2)c1 ZINC000008917616 554813080 /nfs/dbraw/zinc/81/30/80/554813080.db2.gz VMGJGEZZLNOLSC-UHFFFAOYSA-N 0 0 467.881 4.266 50 0 JIAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N4CC[C@@]5(O)CCCC[C@H]5C4)ccc32)cc1 ZINC000008918391 554814784 /nfs/dbraw/zinc/81/47/84/554814784.db2.gz ZWZJBKQPQGHQFE-PPHZAIPVSA-N 0 0 463.530 4.001 50 0 biogenic JIAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1OC ZINC000008922025 554818912 /nfs/dbraw/zinc/81/89/12/554818912.db2.gz CWRCEPTWNNGJSN-VWLOTQADSA-N 0 0 451.906 4.365 50 0 JIAARN Cc1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)o2)c(C)c1 ZINC000008922557 554819363 /nfs/dbraw/zinc/81/93/63/554819363.db2.gz FECZKQYQWKLTNG-UHFFFAOYSA-N 0 0 476.558 4.355 50 0 JIAARN Cc1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)o2)c(C)c1 ZINC000008922597 554819537 /nfs/dbraw/zinc/81/95/37/554819537.db2.gz FOHUSRADOIFVHT-UHFFFAOYSA-N 0 0 490.585 4.350 50 0 JIAARN CCCSCCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O ZINC000008933410 554827512 /nfs/dbraw/zinc/82/75/12/554827512.db2.gz BIXYTHNYOGFPLM-UHFFFAOYSA-N 0 0 466.582 4.188 50 0 JIAARN O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000008933679 554828007 /nfs/dbraw/zinc/82/80/07/554828007.db2.gz KKRPTLJBSRRIFB-UHFFFAOYSA-N 0 0 465.557 4.105 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)cc1 ZINC000008937736 554830780 /nfs/dbraw/zinc/83/07/80/554830780.db2.gz NBKQEDBRXFMFCU-UHFFFAOYSA-N 0 0 450.516 4.450 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c(C)c1 ZINC000008961063 554837494 /nfs/dbraw/zinc/83/74/94/554837494.db2.gz CRMRCXLRKKDNJJ-UHFFFAOYSA-N 0 0 451.504 4.137 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)cc1 ZINC000008961360 554837976 /nfs/dbraw/zinc/83/79/76/554837976.db2.gz AWBCZVACWXJIPK-UHFFFAOYSA-N 0 0 457.895 4.457 50 0 JIAARN COc1ccc(CN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)C2CC2)cc1 ZINC000008965600 554840434 /nfs/dbraw/zinc/84/04/34/554840434.db2.gz RSEJLHDOICJKBQ-UHFFFAOYSA-N 0 0 454.523 4.440 50 0 JIAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000008965672 554840560 /nfs/dbraw/zinc/84/05/60/554840560.db2.gz XOOQLVAJTBLHSV-UHFFFAOYSA-N 0 0 466.422 4.223 50 0 JIAARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1CC(=O)Nc1ccccc1C(=O)NC1CC1)OCCO3 ZINC000008982866 554847523 /nfs/dbraw/zinc/84/75/23/554847523.db2.gz MHNLPIFFRBASKX-SFHVURJKSA-N 0 0 475.589 4.177 50 0 JIAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000008986157 554849143 /nfs/dbraw/zinc/84/91/43/554849143.db2.gz WZMKCTPVFAKWCJ-UHFFFAOYSA-N 0 0 452.580 4.272 50 0 JIAARN CSCC[C@@H](CO)NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccc(Cl)cc1)c2=O ZINC000008991412 554852586 /nfs/dbraw/zinc/85/25/86/554852586.db2.gz RJPWNHIMVUMACW-KRWDZBQOSA-N 0 0 461.967 4.031 50 0 JIAARN Cn1cc(C(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)c2ccccc21 ZINC000008993650 554853953 /nfs/dbraw/zinc/85/39/53/554853953.db2.gz OGKLSXIHDANGEU-UHFFFAOYSA-N 0 0 457.353 4.417 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1Cl ZINC000009011057 554863960 /nfs/dbraw/zinc/86/39/60/554863960.db2.gz BXWYYDOXFSEYBK-UHFFFAOYSA-N 0 0 455.923 4.431 50 0 JIAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000009056906 554876067 /nfs/dbraw/zinc/87/60/67/554876067.db2.gz YFVHWKXINUDCPX-QGZVFWFLSA-N 0 0 467.982 4.456 50 0 JIAARN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 ZINC000009059794 554878376 /nfs/dbraw/zinc/87/83/76/554878376.db2.gz LOOCEAQWIDKKLP-LOSJGSFVSA-N 0 0 469.541 4.403 50 0 JIAARN COc1ccccc1N(CCN1C(=O)c2cccc3cccc(c32)C1=O)C(=O)c1cccnc1 ZINC000009086620 554888969 /nfs/dbraw/zinc/88/89/69/554888969.db2.gz GRSKCMWBBNIIND-UHFFFAOYSA-N 0 0 451.482 4.186 50 0 JIAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCN(C(C)=O)CC2)cc1 ZINC000009088387 554890205 /nfs/dbraw/zinc/89/02/05/554890205.db2.gz MGMFNTSIETVCDV-OAQYLSRUSA-N 0 0 470.367 4.340 50 0 JIAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000009112317 554899660 /nfs/dbraw/zinc/89/96/60/554899660.db2.gz NADTZUHUWBYWSS-UHFFFAOYSA-N 0 0 497.661 4.061 50 0 JIAARN CCCCn1c(=O)c2oc3ccccc3c2n(CC(=O)Nc2ccc(Br)cc2)c1=O ZINC000009116539 554904639 /nfs/dbraw/zinc/90/46/39/554904639.db2.gz BQCZRDPBMPAFHB-UHFFFAOYSA-N 0 0 470.323 4.111 50 0 JIAARN COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)N(C)Cc5ccccc5)C4)sc3n2)cc1 ZINC000009117389 554906510 /nfs/dbraw/zinc/90/65/10/554906510.db2.gz OKEBBWSYIINGBI-FQEVSTJZSA-N 0 0 461.591 4.341 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1OC ZINC000009119440 554910421 /nfs/dbraw/zinc/91/04/21/554910421.db2.gz BGBCRLNQTGGJCF-UHFFFAOYSA-N 0 0 477.542 4.142 50 0 JIAARN CCCCCCn1nc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c2ccccc2c1=O ZINC000009119467 554910484 /nfs/dbraw/zinc/91/04/84/554910484.db2.gz DPMMTFHIUVCWJN-QHCPKHFHSA-N 0 0 461.562 4.327 50 0 JIAARN CCn1c(=O)c2c(-c3ccco3)csc2nc1SCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000009125757 554918339 /nfs/dbraw/zinc/91/83/39/554918339.db2.gz OKXZSSTYCUMPNB-UHFFFAOYSA-N 0 0 471.560 4.486 50 0 JIAARN C[C@@H](NC(=O)[C@H](C)Sc1nnc(Cc2ccccc2F)n1N)c1ccc(Cl)cc1Cl ZINC000009128197 554924532 /nfs/dbraw/zinc/92/45/32/554924532.db2.gz KZVFZZPZRJPHMQ-NEPJUHHUSA-N 0 0 468.385 4.387 50 0 JIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000009128220 554924862 /nfs/dbraw/zinc/92/48/62/554924862.db2.gz CUOHWNYPYXRQGK-UHFFFAOYSA-N 0 0 491.928 4.277 50 0 JIAARN O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1ccccc1Cl)c1ccc2c(c1)OCO2 ZINC000009132457 554931534 /nfs/dbraw/zinc/93/15/34/554931534.db2.gz FVOWYGFRPHLOKJ-AWEZNQCLSA-N 0 0 455.923 4.124 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3c3cc(OC)ccc3OC)c2)cc1 ZINC000009157185 554946733 /nfs/dbraw/zinc/94/67/33/554946733.db2.gz GTVZSGHHTBGDMX-DEOSSOPVSA-N 0 0 496.585 4.491 50 0 JIAARN Cc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(-c5cccc(C(F)(F)F)c5)o4)sc3nc2=O)cc1 ZINC000009158069 554947610 /nfs/dbraw/zinc/94/76/10/554947610.db2.gz HDEHDESGRVVLCJ-BKUYFWCQSA-N 0 0 495.482 4.237 50 0 JIAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)c3ccc(Cl)s3)C2=O)cc1 ZINC000009172281 554954117 /nfs/dbraw/zinc/95/41/17/554954117.db2.gz IZMZKKAKBQJPLL-UHFFFAOYSA-N 0 0 470.934 4.097 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1F ZINC000009172613 554954379 /nfs/dbraw/zinc/95/43/79/554954379.db2.gz CLMULXVUPHSYMI-UHFFFAOYSA-N 0 0 450.532 4.043 50 0 JIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)cc1 ZINC000009173984 554955023 /nfs/dbraw/zinc/95/50/23/554955023.db2.gz GZKDLCZHIKVFOY-UHFFFAOYSA-N 0 0 473.595 4.244 50 0 JIAARN Cn1cc([C@H]2c3ccccc3C(=O)N2CC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000009192401 554965238 /nfs/dbraw/zinc/96/52/38/554965238.db2.gz ZOYAUPCZDMLHEG-MUUNZHRXSA-N 0 0 464.569 4.072 50 0 JIAARN CCOc1cc(C(=O)Nc2ccc(I)c(C)n2)cc(OCC)c1OCC ZINC000009192690 554966152 /nfs/dbraw/zinc/96/61/52/554966152.db2.gz HIOYIDJGHWNGJN-UHFFFAOYSA-N 0 0 470.307 4.443 50 0 JIAARN COc1ccc(CCc2nnc(NC(=O)c3cc(Cl)c(NC(C)=O)cc3OC)s2)cc1 ZINC000009196949 554969090 /nfs/dbraw/zinc/96/90/90/554969090.db2.gz SOVCQYHSFVKVSP-UHFFFAOYSA-N 0 0 460.943 4.205 50 0 JIAARN CC[C@@H](C(=O)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)CC1)c1ccccc1 ZINC000009202379 554973051 /nfs/dbraw/zinc/97/30/51/554973051.db2.gz ZTIACAJKLIUPNV-OAQYLSRUSA-N 0 0 474.540 4.014 50 0 JIAARN CCc1ccccc1-n1c(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1N1CCOCC1 ZINC000009209130 554977575 /nfs/dbraw/zinc/97/75/75/554977575.db2.gz ZBXWSBRNQQPCGH-SFHVURJKSA-N 0 0 491.617 4.382 50 0 JIAARN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc(OC)c1OC ZINC000009209604 554978886 /nfs/dbraw/zinc/97/88/86/554978886.db2.gz NCFUWZDXZGEZOI-QFIPXVFZSA-N 0 0 467.518 4.179 50 0 JIAARN COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc(OC)c1OC ZINC000009215716 554983405 /nfs/dbraw/zinc/98/34/05/554983405.db2.gz WTDFCGSGIZRDBX-LJQANCHMSA-N 0 0 464.499 4.334 50 0 JIAARN CCCCc1ccc(-n2nnnc2SCc2nc(-c3ccc(OC)cc3OC)no2)cc1 ZINC000009218173 554987115 /nfs/dbraw/zinc/98/71/15/554987115.db2.gz VADJPMJQHYPTMH-UHFFFAOYSA-N 0 0 452.540 4.364 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000009218825 554987715 /nfs/dbraw/zinc/98/77/15/554987715.db2.gz WPQFCRADDWDWJW-SFHVURJKSA-N 0 0 485.610 4.307 50 0 JIAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccccc3)n1-c1ccc(F)cc1)CCC2 ZINC000009220602 554989613 /nfs/dbraw/zinc/98/96/13/554989613.db2.gz KPURBOBIQJJQIF-UHFFFAOYSA-N 0 0 493.589 4.453 50 0 JIAARN CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000009221228 554990409 /nfs/dbraw/zinc/99/04/09/554990409.db2.gz FOYRNDBLYGZXHJ-UHFFFAOYSA-N 0 0 463.603 4.384 50 0 JIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009222458 554991404 /nfs/dbraw/zinc/99/14/04/554991404.db2.gz VQSSCJUUZLPARY-UHFFFAOYSA-N 0 0 460.905 4.463 50 0 JIAARN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCN(c3ccccc3O)CC2)c1 ZINC000009222809 554992497 /nfs/dbraw/zinc/99/24/97/554992497.db2.gz NBFAURSQZFTZRF-UHFFFAOYSA-N 0 0 472.520 4.355 50 0 JIAARN Cc1cccc(N2CCN(C(=O)c3cnn(C)c3C3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C)c1 ZINC000009227875 555001148 /nfs/dbraw/zinc/00/11/48/555001148.db2.gz BNEGBRGNEHKEJZ-FQEVSTJZSA-N 0 0 481.641 4.194 50 0 JIAARN Cc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(Br)cc1F)S2 ZINC000009237633 555012560 /nfs/dbraw/zinc/01/25/60/555012560.db2.gz PLUBASWJXWBCJQ-JKSUJKDBSA-N 0 0 466.311 4.025 50 0 JIAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(C)c2)cc1Br ZINC000009237794 555012758 /nfs/dbraw/zinc/01/27/58/555012758.db2.gz VNCOFFLQHKCZIW-ZWKOTPCHSA-N 0 0 474.384 4.064 50 0 JIAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)cc2C)cc1Br ZINC000009237772 555012775 /nfs/dbraw/zinc/01/27/75/555012775.db2.gz MYFVVCUTTYLISZ-RTBURBONSA-N 0 0 488.411 4.372 50 0 JIAARN CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000009237848 555012936 /nfs/dbraw/zinc/01/29/36/555012936.db2.gz XSQUCDOJIIUWPN-MSOLQXFVSA-N 0 0 463.485 4.402 50 0 JIAARN COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000009238044 555013484 /nfs/dbraw/zinc/01/34/84/555013484.db2.gz AAFCGFHJFZCZFV-RTWAWAEBSA-N 0 0 461.522 4.491 50 0 JIAARN COc1ccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccc(F)cc2)cc1 ZINC000009238413 555014765 /nfs/dbraw/zinc/01/47/65/555014765.db2.gz RVEQQJUXRMLQGO-RTWAWAEBSA-N 0 0 461.522 4.491 50 0 JIAARN CCN(CC)C(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OC)c(Cl)c1 ZINC000009238744 555015222 /nfs/dbraw/zinc/01/52/22/555015222.db2.gz QTVHIFGFOAJBHY-OALUTQOASA-N 0 0 457.987 4.235 50 0 JIAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(c2ncccn2)CC1)c1ccccc1Cl ZINC000009251288 555024975 /nfs/dbraw/zinc/02/49/75/555024975.db2.gz KZVFQFTUMYGJKG-UHFFFAOYSA-N 0 0 461.909 4.091 50 0 JIAARN CS(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000009252383 555027176 /nfs/dbraw/zinc/02/71/76/555027176.db2.gz GPFCTOZPODZTMD-UHFFFAOYSA-N 0 0 473.392 4.121 50 0 JIAARN CCCOc1c(Cl)cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccccc2)cc1OC ZINC000009252560 555027541 /nfs/dbraw/zinc/02/75/41/555027541.db2.gz NXIKQHIPGBIEPG-RTWAWAEBSA-N 0 0 482.968 4.062 50 0 JIAARN Cc1c(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)cnn1-c1ccccc1 ZINC000009254858 555030827 /nfs/dbraw/zinc/03/08/27/555030827.db2.gz LAYKTSMSEVMAKI-UHFFFAOYSA-N 0 0 482.606 4.395 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009256116 555032600 /nfs/dbraw/zinc/03/26/00/555032600.db2.gz GUBBIUADPCNNPW-GOSISDBHSA-N 0 0 487.622 4.242 50 0 JIAARN COc1ccccc1C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccs1 ZINC000009260341 555034651 /nfs/dbraw/zinc/03/46/51/555034651.db2.gz WHVSNAGWSKITKY-IBGZPJMESA-N 0 0 455.561 4.120 50 0 JIAARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)C1=O ZINC000009261041 555036145 /nfs/dbraw/zinc/03/61/45/555036145.db2.gz CDNQRAPZXUDJBQ-UOEVCUDDSA-N 0 0 498.557 4.009 50 0 JIAARN CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000009263384 555038129 /nfs/dbraw/zinc/03/81/29/555038129.db2.gz YBNAAIFEBPTHFP-RYUDHWBXSA-N 0 0 465.004 4.018 50 0 JIAARN CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000009263386 555038205 /nfs/dbraw/zinc/03/82/05/555038205.db2.gz YBNAAIFEBPTHFP-NWDGAFQWSA-N 0 0 465.004 4.018 50 0 JIAARN Cc1ccc(NC(=O)CCc2nnc(SCC(=O)N3CCc4ccccc43)n2C)cc1Cl ZINC000009263496 555038350 /nfs/dbraw/zinc/03/83/50/555038350.db2.gz RWERLSIIBGJQRW-UHFFFAOYSA-N 0 0 469.998 4.030 50 0 JIAARN Cc1ccc(F)cc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1C(C)C ZINC000009263994 555039111 /nfs/dbraw/zinc/03/91/11/555039111.db2.gz LOKKKORZPPCZBX-UHFFFAOYSA-N 0 0 459.522 4.106 50 0 JIAARN CC(C)COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCc2nc3ccccc3[nH]2)cc1 ZINC000009281138 555050241 /nfs/dbraw/zinc/05/02/41/555050241.db2.gz IXJOACASLWEYHX-JLPGSUDCSA-N 0 0 472.545 4.321 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3cccc(OC)c3)ccc2N2CCCC2)cc1 ZINC000009282968 555053213 /nfs/dbraw/zinc/05/32/13/555053213.db2.gz LEDQMANWFAYTGD-UHFFFAOYSA-N 0 0 495.601 4.286 50 0 JIAARN CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000009283655 555055464 /nfs/dbraw/zinc/05/54/64/555055464.db2.gz MKRPSYJDABPBIH-UHFFFAOYSA-N 0 0 468.513 4.037 50 0 JIAARN COc1ccc2c(COC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)cc(=O)oc2c1 ZINC000009284502 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ZINC000009412608 555179541 /nfs/dbraw/zinc/17/95/41/555179541.db2.gz FDAPZYLCLHAPAU-UHFFFAOYSA-N 0 0 490.541 4.139 50 0 JIAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)c1ccccc1Br ZINC000009413488 555180341 /nfs/dbraw/zinc/18/03/41/555180341.db2.gz XORUBWSJCULGPS-AREMUKBSSA-N 0 0 450.745 4.303 50 0 JIAARN CCOc1cc(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)C[S@@](=O)C3)cc(OCC)c1OCC ZINC000009414026 555180904 /nfs/dbraw/zinc/18/09/04/555180904.db2.gz HPUYVHCEZSSWNY-PGUFJCEWSA-N 0 0 499.589 4.092 50 0 JIAARN O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccc(Br)cc1 ZINC000009415005 555182185 /nfs/dbraw/zinc/18/21/85/555182185.db2.gz BDQXUIDHRQJLLM-UHFFFAOYSA-N 0 0 458.316 4.424 50 0 JIAARN Cc1c(C)n(-c2cccnc2)c2ncn3nc([C@@H](CC(C)C)N4C(=O)c5ccccc5C4=O)nc3c12 ZINC000009418684 555185635 /nfs/dbraw/zinc/18/56/35/555185635.db2.gz ZVZPXPPMUYHLKS-OAQYLSRUSA-N 0 0 479.544 4.463 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(C(=O)Nc3ccc4c(c3)OCO4)cc1)CC2 ZINC000009419285 555186247 /nfs/dbraw/zinc/18/62/47/555186247.db2.gz FPXJGRMIDLRBOT-UHFFFAOYSA-N 0 0 475.501 4.275 50 0 biogenic JIAARN COc1ccc(CN(C(=O)/C=C/c2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009424836 555189705 /nfs/dbraw/zinc/18/97/05/555189705.db2.gz CBQIQHMHUBFBBE-YXOJNZSOSA-N 0 0 454.375 4.231 50 0 JIAARN CCOc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009426955 555191378 /nfs/dbraw/zinc/19/13/78/555191378.db2.gz WEVRQPLASKLWRJ-UHFFFAOYSA-N 0 0 456.539 4.078 50 0 JIAARN COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000009427076 555191880 /nfs/dbraw/zinc/19/18/80/555191880.db2.gz NYBZNWRPPGJMNY-UHFFFAOYSA-N 0 0 457.379 4.350 50 0 JIAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)CC2)cc1 ZINC000009427056 555191968 /nfs/dbraw/zinc/19/19/68/555191968.db2.gz CICTUELCSRHGPP-UHFFFAOYSA-N 0 0 463.965 4.492 50 0 JIAARN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)C3CC3)C2)c(C)c1 ZINC000009429508 555196664 /nfs/dbraw/zinc/19/66/64/555196664.db2.gz YXSONXDLGIUQTP-PZJWPPBQSA-N 0 0 495.645 4.030 50 0 JIAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(F)c(Cl)c3)cc2NC1=O ZINC000009430208 555197465 /nfs/dbraw/zinc/19/74/65/555197465.db2.gz HJSBEYXIQWAXAF-MRXNPFEDSA-N 0 0 456.948 4.104 50 0 JIAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3Cl)cc2NC1=O ZINC000009430237 555197496 /nfs/dbraw/zinc/19/74/96/555197496.db2.gz JZRCTFBQXYFAKO-INIZCTEOSA-N 0 0 456.948 4.104 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12 ZINC000009441872 555213053 /nfs/dbraw/zinc/21/30/53/555213053.db2.gz ZPINGOSBNZYCHF-JOCHJYFZSA-N 0 0 497.646 4.275 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(NC(=O)c3ccco3)s1)CCC2 ZINC000009444110 555216868 /nfs/dbraw/zinc/21/68/68/555216868.db2.gz XMGMEQBWLJVZDO-SNVBAGLBSA-N 0 0 492.604 4.230 50 0 JIAARN CCOc1ccccc1Nc1nnc(SCC(=O)NCCc2ccc(OC)c(OC)c2)s1 ZINC000009445035 555218044 /nfs/dbraw/zinc/21/80/44/555218044.db2.gz QIDFNAONHAEHDW-UHFFFAOYSA-N 0 0 474.608 4.149 50 0 JIAARN O=C(Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000009449536 555222301 /nfs/dbraw/zinc/22/23/01/555222301.db2.gz KFQBAPMGRGJEQH-UHFFFAOYSA-N 0 0 487.313 4.446 50 0 JIAARN O=C(CCCCCn1cnc2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009449610 555222355 /nfs/dbraw/zinc/22/23/55/555222355.db2.gz DGPYFULYFZCKSS-UHFFFAOYSA-N 0 0 472.511 4.325 50 0 JIAARN O=C(NC1CC1)c1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)c1 ZINC000009449885 555222551 /nfs/dbraw/zinc/22/25/51/555222551.db2.gz KEUYQNQNRYXJHT-UHFFFAOYSA-N 0 0 487.940 4.424 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2cc(C)cc3oc(=O)cc(C)c23)c2ccccc2)cc1 ZINC000009451373 555223864 /nfs/dbraw/zinc/22/38/64/555223864.db2.gz BAIDXACTOJCIDS-VWLOTQADSA-N 0 0 477.538 4.343 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc2c(C)nn(CC(C)C)c2s1 ZINC000009458974 555226899 /nfs/dbraw/zinc/22/68/99/555226899.db2.gz KKDYQTLNRAGXCQ-UHFFFAOYSA-N 0 0 490.651 4.498 50 0 JIAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)CC2=O)cc1 ZINC000009463215 555233199 /nfs/dbraw/zinc/23/31/99/555233199.db2.gz YCLKSJYSNYWZSU-IBGZPJMESA-N 0 0 459.550 4.062 50 0 JIAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N ZINC000009463826 555234492 /nfs/dbraw/zinc/23/44/92/555234492.db2.gz USAQCIDNIFTIQD-UHFFFAOYSA-N 0 0 467.986 4.154 50 0 JIAARN COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)N[C@H]2CCCc3ccccc32)c1OC ZINC000009463849 555234723 /nfs/dbraw/zinc/23/47/23/555234723.db2.gz KRZRAPFZLYJPJD-NRFANRHFSA-N 0 0 484.549 4.451 50 0 JIAARN C[C@@H](Sc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)C(=O)N1CCc2ccccc21 ZINC000009464504 555236756 /nfs/dbraw/zinc/23/67/56/555236756.db2.gz NEYSMEQGLOWABV-MRXNPFEDSA-N 0 0 471.604 4.072 50 0 JIAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)CSc1nc2ccccc2s1 ZINC000009464646 555237181 /nfs/dbraw/zinc/23/71/81/555237181.db2.gz HXPXEVGCDLHVJP-UHFFFAOYSA-N 0 0 450.563 4.035 50 0 JIAARN CCOC(=O)Cc1csc(SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n1 ZINC000009466155 555241828 /nfs/dbraw/zinc/24/18/28/555241828.db2.gz HWFRKNPCUKTSNA-UHFFFAOYSA-N 0 0 455.533 4.381 50 0 JIAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1 ZINC000009468626 555248671 /nfs/dbraw/zinc/24/86/71/555248671.db2.gz PLKHTEHHJFEDGG-GOSISDBHSA-N 0 0 476.606 4.114 50 0 JIAARN Cc1ccc(-c2cc(NC(=O)CSc3nnc(N4CCOCC4)n3-c3ccccc3C)on2)cc1 ZINC000009468786 555249430 /nfs/dbraw/zinc/24/94/30/555249430.db2.gz YQVNELWWVHONPX-UHFFFAOYSA-N 0 0 490.589 4.107 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCN(c2ccccc2Cl)CC1 ZINC000009469628 555252341 /nfs/dbraw/zinc/25/23/41/555252341.db2.gz IKDYUBGUKXZYKA-UHFFFAOYSA-N 0 0 498.048 4.243 50 0 JIAARN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Cn1c(-c2ccccc2)cc2ccccc21 ZINC000009470686 555253726 /nfs/dbraw/zinc/25/37/26/555253726.db2.gz CYSJVXQPKMWNON-UHFFFAOYSA-N 0 0 475.614 4.453 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2)N1CCCc2ccccc21 ZINC000009472393 555255161 /nfs/dbraw/zinc/25/51/61/555255161.db2.gz SADBFVISBWIIFA-UHFFFAOYSA-N 0 0 485.565 4.245 50 0 JIAARN O=C(c1cc2c(cccc2F)s1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000009478086 555259754 /nfs/dbraw/zinc/25/97/54/555259754.db2.gz OUAOMNIQMDADKH-UHFFFAOYSA-N 0 0 468.941 4.202 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2Cc2ccco2)cc1 ZINC000009480205 555260564 /nfs/dbraw/zinc/26/05/64/555260564.db2.gz XWXXHFZBUUOBOY-UHFFFAOYSA-N 0 0 491.573 4.496 50 0 JIAARN COc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc(OC)c1 ZINC000009480227 555260593 /nfs/dbraw/zinc/26/05/93/555260593.db2.gz LITOABOLRSSQET-UHFFFAOYSA-N 0 0 450.520 4.334 50 0 JIAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009481053 555261108 /nfs/dbraw/zinc/26/11/08/555261108.db2.gz QRBZSJBFFQCOKS-GHMZBOCLSA-N 0 0 455.565 4.212 50 0 JIAARN COc1ccc(OCCCC(=O)OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)cc1 ZINC000009485627 555262239 /nfs/dbraw/zinc/26/22/39/555262239.db2.gz AGCGPFDEHVKEIZ-HXUWFJFHSA-N 0 0 468.531 4.430 50 0 JIAARN COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000009486905 555262669 /nfs/dbraw/zinc/26/26/69/555262669.db2.gz MICPEALAHBWCNR-FQEVSTJZSA-N 0 0 466.421 4.004 50 0 JIAARN Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c(C)c1 ZINC000009488335 555263644 /nfs/dbraw/zinc/26/36/44/555263644.db2.gz FDXBSOLWAXWZOB-GCJKJVERSA-N 0 0 451.567 4.109 50 0 JIAARN CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000009489524 555264357 /nfs/dbraw/zinc/26/43/57/555264357.db2.gz DBTPJKONQGQZKR-OAQYLSRUSA-N 0 0 490.585 4.282 50 0 JIAARN CCOC(=O)N1CCN(C(=O)CSc2cn(Cc3ccc(F)cc3)c3ccccc23)CC1 ZINC000009489799 555264903 /nfs/dbraw/zinc/26/49/03/555264903.db2.gz TTXJHJWKVQTFCM-UHFFFAOYSA-N 0 0 455.555 4.222 50 0 JIAARN Cc1ccccc1CSC[C@@H]1Nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2NC1=O ZINC000009490589 555266377 /nfs/dbraw/zinc/26/63/77/555266377.db2.gz JAGRGFQTUWOGAF-QFIPXVFZSA-N 0 0 475.570 4.320 50 0 JIAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000009491164 555268085 /nfs/dbraw/zinc/26/80/85/555268085.db2.gz ROLHAWBNLHWZRE-UHFFFAOYSA-N 0 0 461.472 4.313 50 0 JIAARN NS(=O)(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000009492579 555272806 /nfs/dbraw/zinc/27/28/06/555272806.db2.gz KADBMUSETDCYSD-UHFFFAOYSA-N 0 0 464.572 4.122 50 0 JIAARN CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccc(C)cc2)CC1 ZINC000009493470 555275485 /nfs/dbraw/zinc/27/54/85/555275485.db2.gz DQSSXGVPQSQTAC-UHFFFAOYSA-N 0 0 494.617 4.145 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000009493610 555275940 /nfs/dbraw/zinc/27/59/40/555275940.db2.gz NZUIZWPCLBBXFY-UHFFFAOYSA-N 0 0 483.556 4.259 50 0 JIAARN Cc1ccccc1NC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1cccs1 ZINC000009494226 555278004 /nfs/dbraw/zinc/27/80/04/555278004.db2.gz AYJULUGMTOHBOQ-UBXANZILSA-N 0 0 477.636 4.305 50 0 JIAARN O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000009495275 555279735 /nfs/dbraw/zinc/27/97/35/555279735.db2.gz CRBRLMVVYAGGRH-UHFFFAOYSA-N 0 0 471.539 4.053 50 0 JIAARN CCCCCOc1ccc(/C=c2\sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)cc1OCC ZINC000009496670 555281137 /nfs/dbraw/zinc/28/11/37/555281137.db2.gz CTQYQWHXYNQVCZ-KQWNVCNZSA-N 0 0 493.585 4.259 50 0 JIAARN CC[C@@H](C)N(C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc21)[C@@H]1CCS(=O)(=O)C1 ZINC000009497817 555282282 /nfs/dbraw/zinc/28/22/82/555282282.db2.gz MNVZPIRIXRWMBJ-ZIAGYGMSSA-N 0 0 459.395 4.043 50 0 JIAARN COc1ccc(CN2C(=S)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 ZINC000009498958 555283512 /nfs/dbraw/zinc/28/35/12/555283512.db2.gz CLAXCJRGGBRHBM-DEOSSOPVSA-N 0 0 487.581 4.429 50 0 JIAARN O=C(CCC(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)Nc1cccc(Cl)c1 ZINC000009499265 555283842 /nfs/dbraw/zinc/28/38/42/555283842.db2.gz MDYKGBJUBTTYCD-UHFFFAOYSA-N 0 0 455.850 4.297 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3CCC(C(=O)N4CCCCCC4)CC3)[C@H](c3ccco3)C2)cc1 ZINC000009501906 555286419 /nfs/dbraw/zinc/28/64/19/555286419.db2.gz PGAQINJGUSUSMZ-VWLOTQADSA-N 0 0 476.621 4.380 50 0 JIAARN Cn1c2ccccc2c([C@H]2c3ccccc3C(=O)N2CC(=O)N2CCOCC2)c1-c1ccccc1 ZINC000009504928 555289739 /nfs/dbraw/zinc/28/97/39/555289739.db2.gz AETDWQGKJUKNHF-MUUNZHRXSA-N 0 0 465.553 4.249 50 0 JIAARN COc1ccc(Cl)cc1-n1c(S[C@H](C)C(N)=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000009507398 555291762 /nfs/dbraw/zinc/29/17/62/555291762.db2.gz IBWZSMSTGAREJW-GHMZBOCLSA-N 0 0 464.012 4.200 50 0 JIAARN COc1ccc(-n2c(SCC(=O)NCc3ccc(F)cc3)nnc2-c2ccccc2OC)cc1 ZINC000009508233 555294259 /nfs/dbraw/zinc/29/42/59/555294259.db2.gz SZXLSWCGMBBIRD-UHFFFAOYSA-N 0 0 478.549 4.499 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3cc(C)ccc3[nH]2)c1 ZINC000009508265 555294424 /nfs/dbraw/zinc/29/44/24/555294424.db2.gz BHXXNCFJXYTMIB-UHFFFAOYSA-N 0 0 467.016 4.286 50 0 JIAARN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)COC(=O)CCn2cccn2)cc1 ZINC000009513674 555303998 /nfs/dbraw/zinc/30/39/98/555303998.db2.gz QMQSPBGGGHOSBQ-AREMUKBSSA-N 0 0 482.540 4.356 50 0 JIAARN CC(C)[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000009513864 555304129 /nfs/dbraw/zinc/30/41/29/555304129.db2.gz CBOCZGCDPJMOCT-FQEVSTJZSA-N 0 0 469.529 4.119 50 0 JIAARN CCc1nn2c(nc(CSc3nnc(-c4ccc(Cl)cc4)n3C[C@H]3CCCO3)cc2=O)s1 ZINC000009516798 555308940 /nfs/dbraw/zinc/30/89/40/555308940.db2.gz GQHQULJWZQRSFW-MRXNPFEDSA-N 0 0 489.026 4.097 50 0 JIAARN Cc1cccc(-c2nnc(S[C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)n2Cc2ccco2)c1 ZINC000009516803 555308950 /nfs/dbraw/zinc/30/89/50/555308950.db2.gz MSOXBDAWHZISIP-KRWDZBQOSA-N 0 0 473.558 4.361 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000009517714 555310731 /nfs/dbraw/zinc/31/07/31/555310731.db2.gz BMEVNVWFWITGIU-UHFFFAOYSA-N 0 0 467.938 4.376 50 0 JIAARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2)c1ccc(C(F)(F)F)cc1 ZINC000009518003 555311728 /nfs/dbraw/zinc/31/17/28/555311728.db2.gz KIBWIOUDRWXZGY-UHFFFAOYSA-N 0 0 455.845 4.225 50 0 JIAARN Nc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1NC(=O)c1ccc(Cl)cc1 ZINC000009518158 555312195 /nfs/dbraw/zinc/31/21/95/555312195.db2.gz 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CCOc1ccccc1CNC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc32)CC1 ZINC000020564193 555816982 /nfs/dbraw/zinc/81/69/82/555816982.db2.gz PDSRGGGHSPEEEO-UHFFFAOYSA-N 0 0 484.604 4.364 50 0 JIAARN COc1cccc(CNC(=O)C2CCN(c3nnc(C)c4c(C)n(-c5ccc(C)cc5)nc43)CC2)c1 ZINC000020564302 555817331 /nfs/dbraw/zinc/81/73/31/555817331.db2.gz FAOWUWULKANVEG-UHFFFAOYSA-N 0 0 484.604 4.282 50 0 JIAARN COc1ccc(-n2nc3c(c2C)c(C)nnc3N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000020564501 555818036 /nfs/dbraw/zinc/81/80/36/555818036.db2.gz UQATVQUUHTYZBM-UHFFFAOYSA-N 0 0 482.588 4.247 50 0 JIAARN COc1ccc(-n2nc3c(c2C)c(C)nnc3N2CCC[C@H](C(=O)NCc3ccccc3F)C2)cc1 ZINC000020564570 555818283 /nfs/dbraw/zinc/81/82/83/555818283.db2.gz KTNGDRCZDNNWHR-FQEVSTJZSA-N 0 0 488.567 4.113 50 0 JIAARN COc1cccc(Cn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2ccc(C(F)(F)F)cc2)C3)c1 ZINC000014532256 555819986 /nfs/dbraw/zinc/81/99/86/555819986.db2.gz XDRRMPUCONMGGG-UHFFFAOYSA-N 0 0 498.505 4.050 50 0 JIAARN COc1ccc(-n2c(CNC(=O)[C@H](Cc3ccc(O)cc3)c3ccccc3)nnc2SC)cc1 ZINC000011786708 555820171 /nfs/dbraw/zinc/82/01/71/555820171.db2.gz PHSBHAOTNPPOPF-HSZRJFAPSA-N 0 0 474.586 4.346 50 0 JIAARN CCn1c2ncc(N[C@H](C)Cc3ccccc3F)cc2c(NC(=O)[C@@H]2CCOC2)c1C(=O)OC ZINC000014532563 555820619 /nfs/dbraw/zinc/82/06/19/555820619.db2.gz ACLRYDWUPCZGFF-NVXWUHKLSA-N 0 0 468.529 4.000 50 0 JIAARN Cc1nc2cc(NS(C)(=O)=O)cc(C(=O)NCc3ccccc3C)c2n1Cc1ccccc1 ZINC000011790102 555825605 /nfs/dbraw/zinc/82/56/05/555825605.db2.gz ADJLIRAWLBDLED-UHFFFAOYSA-N 0 0 462.575 4.003 50 0 JIAARN O=C(CN1c2ccccc2[C@]2(SCC(=O)N2c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000020573870 555825986 /nfs/dbraw/zinc/82/59/86/555825986.db2.gz LSOVKQCMJFUIJK-DEOSSOPVSA-N 0 0 463.946 4.258 50 0 JIAARN CCC(CC)Nc1cnc2c(c1)c(NC(=O)Cc1ccccc1)c(C(=O)OC)n2CCOC ZINC000014537614 555827055 /nfs/dbraw/zinc/82/70/55/555827055.db2.gz JNXCXEIAXVEBAZ-UHFFFAOYSA-N 0 0 452.555 4.251 50 0 JIAARN COc1ccccc1NC(=O)CN1c2ccccc2[C@@]2(SCC(=O)N2c2cccc(Cl)c2)C1=O 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C[C@@H](c1cccs1)N(C)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O ZINC000014999041 555843727 /nfs/dbraw/zinc/84/37/27/555843727.db2.gz AFYDONUTMOKIST-DCFHFQCYSA-N 0 0 491.613 4.219 50 0 JIAARN COCC[C@@H]1CCCCN1C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O ZINC000011871841 555847214 /nfs/dbraw/zinc/84/72/14/555847214.db2.gz BVEVYSOZDSSWEI-PWUYWRBVSA-N 0 0 474.601 4.320 50 0 JIAARN CC[C@@H](Sc1nc2ccccc2c(Nc2cc(OC)cc(OC)c2)n1)C(=O)NCCCOC ZINC000020646063 555847348 /nfs/dbraw/zinc/84/73/48/555847348.db2.gz ZMSQQRUKRYWLNR-OAQYLSRUSA-N 0 0 470.595 4.414 50 0 JIAARN COc1cc(CN(C)Cc2nnc(SCc3ccccc3C)n2C[C@@H]2CCCO2)cc(OC)c1O ZINC000015003023 555848192 /nfs/dbraw/zinc/84/81/92/555848192.db2.gz PKTNIWSTKJBBNO-NRFANRHFSA-N 0 0 498.649 4.413 50 0 JIAARN Cc1cc(C)n(C[C@@H](C)NC(=O)c2ccc(-n3cc(NC(=O)c4ccc(C)cc4C)cn3)cc2)n1 ZINC000011880501 555848631 /nfs/dbraw/zinc/84/86/31/555848631.db2.gz QIMXWCYQXYJCFB-HXUWFJFHSA-N 0 0 470.577 4.373 50 0 JIAARN 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ZINC000015925331 556069758 /nfs/dbraw/zinc/06/97/58/556069758.db2.gz KPZUOSOBFVAXIY-UHFFFAOYSA-N 0 0 477.007 4.051 50 0 JIAARN C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]12 ZINC000015931105 556070467 /nfs/dbraw/zinc/07/04/67/556070467.db2.gz AZWIMXHDVVOOTM-UQXVNGHOSA-N 0 0 474.354 4.381 50 0 JIAARN CCCOc1ccc(OCCSc2nc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C2CC2)cc1 ZINC000023562133 556078905 /nfs/dbraw/zinc/07/89/05/556078905.db2.gz GZFLLRRYQOJYES-UHFFFAOYSA-N 0 0 454.552 4.064 50 0 JIAARN CCC[C@@H](NC(=O)[C@H](C)Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)c1ccccc1 ZINC000023562849 556078949 /nfs/dbraw/zinc/07/89/49/556078949.db2.gz ZVUNXELOIKHKSY-KBXCAEBGSA-N 0 0 479.606 4.243 50 0 JIAARN COc1ccc(OC)c(CCNC(=O)c2ccc(C[S@@](=O)Cc3ccc(Cl)cc3)o2)c1 ZINC000015943597 556079480 /nfs/dbraw/zinc/07/94/80/556079480.db2.gz XZIOOSIPFQJOBJ-WJOKGBTCSA-N 0 0 461.967 4.372 50 0 JIAARN CC(C)CCn1c(COc2ccccc2)nnc1SCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000023594494 556079591 /nfs/dbraw/zinc/07/95/91/556079591.db2.gz FIKKFRNNHJJFDR-UHFFFAOYSA-N 0 0 497.640 4.483 50 0 JIAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCCn1ccc2ccccc21 ZINC000012587823 556084639 /nfs/dbraw/zinc/08/46/39/556084639.db2.gz OPIGJJQPOWKSAB-RUZDIDTESA-N 0 0 463.603 4.304 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)NC3(CCC(C)CC3)C1=O)CC2 ZINC000023873450 556097469 /nfs/dbraw/zinc/09/74/69/556097469.db2.gz UUJMOULJVRPGQR-ZADXLRFVSA-N 0 0 463.578 4.110 50 0 JIAARN C[C@@H](c1nnc(SCC(=O)N2CCSc3ccccc32)n1-c1ccc(F)cc1)N(C)C ZINC000023888471 556098825 /nfs/dbraw/zinc/09/88/25/556098825.db2.gz DSJXPZFKJSSMHD-HNNXBMFYSA-N 0 0 457.600 4.260 50 0 JIAARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)NCC(=O)Nc1ccc(F)cc1 ZINC000023883240 556098926 /nfs/dbraw/zinc/09/89/26/556098926.db2.gz KHBYQRXVLVVRBO-UHFFFAOYSA-N 0 0 468.476 4.451 50 0 JIAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000023967896 556107640 /nfs/dbraw/zinc/10/76/40/556107640.db2.gz OHLSPTSVYIBJIR-UHFFFAOYSA-N 0 0 491.979 4.016 50 0 JIAARN COc1ccc([C@H](CNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)N2CCOCC2)cc1 ZINC000023989303 556112491 /nfs/dbraw/zinc/11/24/91/556112491.db2.gz GJNYBLSAJVHUJA-QHCPKHFHSA-N 0 0 476.602 4.207 50 0 JIAARN CN(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)c1 ZINC000012799150 556113967 /nfs/dbraw/zinc/11/39/67/556113967.db2.gz LBISVTNBIZXSBJ-UHFFFAOYSA-N 0 0 455.605 4.119 50 0 JIAARN COc1ccc([C@@H](CNC(=O)c2c3c(sc2-n2cccc2)CSCC3)N2CCOCC2)cc1 ZINC000023989896 556114107 /nfs/dbraw/zinc/11/41/07/556114107.db2.gz VADDRLNIPHEWLU-OAQYLSRUSA-N 0 0 483.659 4.140 50 0 JIAARN CCOc1c(Cl)cc(/C=C/C(=O)N[C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)cc1OC ZINC000024022614 556116508 /nfs/dbraw/zinc/11/65/08/556116508.db2.gz KSGOHIJILMQTDP-NDEDVSTASA-N 0 0 485.968 4.417 50 0 JIAARN CCOc1ccc([C@@H](c2c(O)cc(C)n(CC)c2=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000024022963 556116513 /nfs/dbraw/zinc/11/65/13/556116513.db2.gz LNJYFUNIOOOECL-SANMLTNESA-N 0 0 465.569 4.332 50 0 JIAARN CCCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000016032406 556116706 /nfs/dbraw/zinc/11/67/06/556116706.db2.gz GGSSOHAHFTZPNA-UGIARPQZSA-N 0 0 462.631 4.077 50 0 biogenic JIAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000012860360 556119303 /nfs/dbraw/zinc/11/93/03/556119303.db2.gz LRLCAUWHJCQWBW-UHFFFAOYSA-N 0 0 494.661 4.132 50 0 JIAARN COCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2sc3c(c2c1=O)CCCC3 ZINC000016035752 556119287 /nfs/dbraw/zinc/11/92/87/556119287.db2.gz AAIHCLBHWCVNJA-UHFFFAOYSA-N 0 0 473.620 4.031 50 0 JIAARN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000016038275 556120566 /nfs/dbraw/zinc/12/05/66/556120566.db2.gz VAUGOAYTZBTVGM-AFXVXQJMSA-N 0 0 455.901 4.102 50 0 aggregator JIAARN COc1ccc(-c2noc(CCCCCNC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000024117406 556122411 /nfs/dbraw/zinc/12/24/11/556122411.db2.gz GKIOOLMZPRZMLX-UHFFFAOYSA-N 0 0 472.586 4.221 50 0 JIAARN CN(C(=O)CSc1nnc(COc2ccc(F)cc2)o1)c1ccccc1C(=O)NCc1ccco1 ZINC000024140608 556122976 /nfs/dbraw/zinc/12/29/76/556122976.db2.gz CNSUQBCUVIJYTQ-UHFFFAOYSA-N 0 0 496.520 4.066 50 0 JIAARN COc1ccc(-c2csc(C)n2)cc1CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000024177247 556125030 /nfs/dbraw/zinc/12/50/30/556125030.db2.gz DUTOWKGCJMGQRO-UHFFFAOYSA-N 0 0 493.585 4.276 50 0 JIAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000016044800 556125486 /nfs/dbraw/zinc/12/54/86/556125486.db2.gz QBYJPHBPUFGTHV-UHFFFAOYSA-N 0 0 456.951 4.280 50 0 JIAARN CN(C(=O)COC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1C(=O)NCc1ccco1 ZINC000024210702 556126975 /nfs/dbraw/zinc/12/69/75/556126975.db2.gz QFWKWEGEHAUJCB-UHFFFAOYSA-N 0 0 466.877 4.429 50 0 JIAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC(C(=O)Nc3ccccc3O)CC2)o1 ZINC000012908935 556127995 /nfs/dbraw/zinc/12/79/95/556127995.db2.gz YYPAQOSTONCPQL-UHFFFAOYSA-N 0 0 459.506 4.256 50 0 JIAARN Cc1ccccc1CN1CCN(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)CC1 ZINC000012909961 556128944 /nfs/dbraw/zinc/12/89/44/556128944.db2.gz ZSONBJYOBAZAJL-UHFFFAOYSA-N 0 0 453.637 4.086 50 0 JIAARN Cc1cc(-c2csc(NC3CCCC3)n2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000012910345 556129213 /nfs/dbraw/zinc/12/92/13/556129213.db2.gz WGUBJIHVHLKDLL-UHFFFAOYSA-N 0 0 462.579 4.214 50 0 JIAARN O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CCCC1 ZINC000016213566 556129316 /nfs/dbraw/zinc/12/93/16/556129316.db2.gz VSYGLJGQPXHXQR-UHFFFAOYSA-N 0 0 461.798 4.460 50 0 JIAARN COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)C[C@@H]1Oc2ccccc2NC1=O)c1ccccc1 ZINC000024357913 556129886 /nfs/dbraw/zinc/12/98/86/556129886.db2.gz SXKHKYJHCKSDOE-UPVQGACJSA-N 0 0 460.486 4.016 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cnc4ccccc4n3)ccc2C)cc1 ZINC000024400383 556130850 /nfs/dbraw/zinc/13/08/50/556130850.db2.gz GBTPNYWXBOWRMI-UHFFFAOYSA-N 0 0 462.531 4.390 50 0 JIAARN Cc1noc(C)c1COc1ccc(CC(=O)NCCOc2cccc3c2OC(C)(C)C3)cc1 ZINC000024449568 556131505 /nfs/dbraw/zinc/13/15/05/556131505.db2.gz RRXHOJDZPKBORM-UHFFFAOYSA-N 0 0 450.535 4.322 50 0 JIAARN O=C(c1cc(-c2ccc(F)cc2)nc2ccccc21)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000024527931 556134366 /nfs/dbraw/zinc/13/43/66/556134366.db2.gz KUPJYHWUAKDHCX-UHFFFAOYSA-N 0 0 493.542 4.235 50 0 JIAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000012915805 556135325 /nfs/dbraw/zinc/13/53/25/556135325.db2.gz LWBWPIJPKBJTDG-GFCCVEGCSA-N 0 0 464.747 4.155 50 0 JIAARN O=C(NCc1ccccc1CN1CCOCC1)c1cc(Br)c(Br)s1 ZINC000012918379 556137329 /nfs/dbraw/zinc/13/73/29/556137329.db2.gz ZUQYMYAULNXRMU-UHFFFAOYSA-N 0 0 474.218 4.035 50 0 JIAARN Cc1ccc(SCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000024607362 556139331 /nfs/dbraw/zinc/13/93/31/556139331.db2.gz ZLEYBWQRJIECPK-UHFFFAOYSA-N 0 0 467.056 4.099 50 0 JIAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCSc3ccc(Cl)cc3)CC2)cc1 ZINC000024609210 556140221 /nfs/dbraw/zinc/14/02/21/556140221.db2.gz HFPAGGMPQJESCU-UHFFFAOYSA-N 0 0 467.056 4.099 50 0 JIAARN O=C(C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000024610417 556140666 /nfs/dbraw/zinc/14/06/66/556140666.db2.gz YDGKGYAZXYCKKD-UHFFFAOYSA-N 0 0 475.054 4.363 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012922437 556141041 /nfs/dbraw/zinc/14/10/41/556141041.db2.gz ZINLHAYRVNFEML-LJQANCHMSA-N 0 0 495.576 4.426 50 0 JIAARN COc1ccc(CN2CCN(C(=O)c3sc(COc4ccc(C)cc4)nc3C)CC2)cc1 ZINC000024649427 556143652 /nfs/dbraw/zinc/14/36/52/556143652.db2.gz SUNSPMBIEXDANW-UHFFFAOYSA-N 0 0 451.592 4.306 50 0 JIAARN C[C@@H](NC(=O)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)c1cccc(Cl)c1 ZINC000012925403 556143640 /nfs/dbraw/zinc/14/36/40/556143640.db2.gz LBTGAHRHEWWQIX-LJQANCHMSA-N 0 0 475.976 4.293 50 0 JIAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012926062 556144311 /nfs/dbraw/zinc/14/43/11/556144311.db2.gz CRTMBKAJWIUASG-UHFFFAOYSA-N 0 0 465.358 4.400 50 0 JIAARN COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1Cl ZINC000012926134 556144321 /nfs/dbraw/zinc/14/43/21/556144321.db2.gz LYYSYXSKUYYSSQ-UHFFFAOYSA-N 0 0 450.988 4.485 50 0 JIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1OC ZINC000012927058 556145212 /nfs/dbraw/zinc/14/52/12/556145212.db2.gz FSWHTKSMYGSIEF-UHFFFAOYSA-N 0 0 488.519 4.406 50 0 JIAARN CCOc1ccccc1-c1nc(CC(=O)N2CCC(C(=O)Nc3ccncc3)CC2)cs1 ZINC000024700926 556145889 /nfs/dbraw/zinc/14/58/89/556145889.db2.gz ILPBSZHQSYCFQT-UHFFFAOYSA-N 0 0 450.564 4.024 50 0 JIAARN CCOc1ccccc1NC(=O)Nc1ccc([C@H]2NC(=S)N(CC)C(C)=C2C(=O)OC)cc1 ZINC000016610704 556146685 /nfs/dbraw/zinc/14/66/85/556146685.db2.gz NALHULFRMFMPTM-OAQYLSRUSA-N 0 0 468.579 4.427 50 0 JIAARN Cc1cccc(NC(=O)CN(C)C(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1C ZINC000012939761 556153732 /nfs/dbraw/zinc/15/37/32/556153732.db2.gz CSDRITUDDXIZHV-GOSISDBHSA-N 0 0 465.497 4.222 50 0 JIAARN CCOc1ccc(Oc2ccc(NC(=O)c3cc(S(=O)(=O)NC(C)C)cn3C)cc2)cc1 ZINC000024775100 556154584 /nfs/dbraw/zinc/15/45/84/556154584.db2.gz GRRKEOWKMMLHOI-UHFFFAOYSA-N 0 0 457.552 4.155 50 0 JIAARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1S(=O)(=O)NC(C)(C)C ZINC000012947089 556157967 /nfs/dbraw/zinc/15/79/67/556157967.db2.gz LYRPPVYYRXEPFC-UHFFFAOYSA-N 0 0 496.511 4.229 50 0 JIAARN CCOc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000012948090 556158562 /nfs/dbraw/zinc/15/85/62/556158562.db2.gz DISLINCDDZTYPR-SFHVURJKSA-N 0 0 496.427 4.213 50 0 JIAARN C[C@H]1Sc2ccc(C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc2NC1=O ZINC000012948936 556159205 /nfs/dbraw/zinc/15/92/05/556159205.db2.gz PHJWIDRBEOZALP-LLVKDONJSA-N 0 0 470.904 4.149 50 0 JIAARN COc1ccc(COc2ccc([C@H]3[C@@H](S(=O)(=O)c4ccccc4)CON3C)cc2OC)cc1 ZINC000012949852 556159628 /nfs/dbraw/zinc/15/96/28/556159628.db2.gz NELPYWVWMMZRHW-DQEYMECFSA-N 0 0 469.559 4.043 50 0 JIAARN COc1ccc(-c2nc3c4ccccc4n(C[C@@H](O)COc4cccc5ccccc54)c(=O)n3n2)cc1 ZINC000012950498 556160182 /nfs/dbraw/zinc/16/01/82/556160182.db2.gz ILVUNDDAAJAYGZ-OAQYLSRUSA-N 0 0 492.535 4.313 50 0 JIAARN COc1ccc(N2C(=O)CC[C@H](C(=O)NOCc3ccccc3)[C@H]2c2ccccc2OC)cc1 ZINC000012952735 556160807 /nfs/dbraw/zinc/16/08/07/556160807.db2.gz BIDKAPLOKDATHN-JYFHCDHNSA-N 0 0 460.530 4.436 50 0 JIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000024861299 556161183 /nfs/dbraw/zinc/16/11/83/556161183.db2.gz XSBLRNRMSGRAKR-OAHLLOKOSA-N 0 0 454.379 4.147 50 0 JIAARN COc1ccc2nc(C(=O)Nc3ccccc3C(=O)NCc3ccc4c(c3)OCO4)ccc2c1 ZINC000024882378 556162212 /nfs/dbraw/zinc/16/22/12/556162212.db2.gz WPQTZIRQXQYRLT-UHFFFAOYSA-N 0 0 455.470 4.154 50 0 JIAARN CCc1ccc(-c2nc(C(=O)OCC(=O)N[C@@H](c3nccn3C)c3ccccc3)cs2)cc1 ZINC000024903088 556162714 /nfs/dbraw/zinc/16/27/14/556162714.db2.gz NUJGCTZCJPTDJD-JOCHJYFZSA-N 0 0 460.559 4.169 50 0 JIAARN CCc1ccc(-c2nc(C(=O)OCC(=O)N[C@H](c3nccn3C)c3ccccc3)cs2)cc1 ZINC000024903078 556162902 /nfs/dbraw/zinc/16/29/02/556162902.db2.gz NUJGCTZCJPTDJD-QFIPXVFZSA-N 0 0 460.559 4.169 50 0 JIAARN COc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024920957 556163132 /nfs/dbraw/zinc/16/31/32/556163132.db2.gz QZMFDFHIFLMVAC-UHFFFAOYSA-N 0 0 477.565 4.102 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)CSc2nccn3nc(-c4ccccc4OC)cc23)c1 ZINC000016842084 556163606 /nfs/dbraw/zinc/16/36/06/556163606.db2.gz XPSOQDOAOKKSHM-UHFFFAOYSA-N 0 0 462.531 4.312 50 0 JIAARN COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4cccc(Br)c4)no3)ccn2n1 ZINC000016842024 556163641 /nfs/dbraw/zinc/16/36/41/556163641.db2.gz RHBYAMFOOSGHSV-UHFFFAOYSA-N 0 0 478.306 4.032 50 0 JIAARN CC1=C(C(=O)N(C)C)[C@H](c2cccc(Br)c2)NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000024928220 556164127 /nfs/dbraw/zinc/16/41/27/556164127.db2.gz HAZOQGIHPZXUIX-FQEVSTJZSA-N 0 0 488.407 4.018 50 0 JIAARN CN(C)[C@@H](CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1Cl ZINC000024975110 556166813 /nfs/dbraw/zinc/16/68/13/556166813.db2.gz AFBJYAFFXIOOAS-KRWDZBQOSA-N 0 0 491.082 4.169 50 0 JIAARN O=C(Cn1c2ccccc2c2ncn(Cc3ccccc3Cl)c(=O)c21)Nc1ccc2c(c1)OCO2 ZINC000016845261 556167009 /nfs/dbraw/zinc/16/70/09/556167009.db2.gz DRYPAWTYETYPAA-UHFFFAOYSA-N 0 0 486.915 4.420 50 0 JIAARN CC(C)c1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000016845523 556167246 /nfs/dbraw/zinc/16/72/46/556167246.db2.gz OOTZYAIZPISSLV-UHFFFAOYSA-N 0 0 483.659 4.312 50 0 JIAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000024978859 556167383 /nfs/dbraw/zinc/16/73/83/556167383.db2.gz PUSVDZZAXIDDLH-LJQANCHMSA-N 0 0 478.618 4.069 50 0 JIAARN COc1cc(NC(=O)CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc(OC)c1OC ZINC000012975810 556168191 /nfs/dbraw/zinc/16/81/91/556168191.db2.gz PDOSWYJOLKUNOZ-UHFFFAOYSA-N 0 0 475.563 4.215 50 0 JIAARN O=C(NCc1noc(CSc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)n1)c1ccccc1 ZINC000024983166 556168705 /nfs/dbraw/zinc/16/87/05/556168705.db2.gz NXFSTEVNSAVKKR-UHFFFAOYSA-N 0 0 493.545 4.396 50 0 JIAARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1Cc1nc(CNC(=O)c2ccccc2)no1)OCCO3 ZINC000024983323 556168989 /nfs/dbraw/zinc/16/89/89/556168989.db2.gz RVQKKUYTHSUGHC-SFHVURJKSA-N 0 0 474.561 4.159 50 0 JIAARN O=S(=O)(c1ccccc1)N(C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000024990716 556170595 /nfs/dbraw/zinc/17/05/95/556170595.db2.gz GWFNBNZAZICODS-LJQANCHMSA-N 0 0 462.365 4.084 50 0 JIAARN CCOc1cc2c(cc1CNC(=O)c1cc(OC)c(Br)c(OC)c1)O[C@H](C)C2 ZINC000012979038 556171698 /nfs/dbraw/zinc/17/16/98/556171698.db2.gz RFRVBWUUZWTEJM-GFCCVEGCSA-N 0 0 450.329 4.118 50 0 JIAARN C[C@H](NC(=O)c1ccc2c(c1)OCO2)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891089 556172160 /nfs/dbraw/zinc/17/21/60/556172160.db2.gz DAKZOQRZAHWKLX-XDHUDOTRSA-N 0 0 467.566 4.298 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 ZINC000012979700 556172715 /nfs/dbraw/zinc/17/27/15/556172715.db2.gz UEHYXSNDIGQCAB-UHFFFAOYSA-N 0 0 466.485 4.174 50 0 JIAARN CC(C)OCCCn1c(-c2ccc(Br)cc2)cnc1Sc1ccc2nnnn2n1 ZINC000025048200 556173845 /nfs/dbraw/zinc/17/38/45/556173845.db2.gz GBDWOWLJOSJIRV-UHFFFAOYSA-N 0 0 474.388 4.112 50 0 JIAARN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000025050422 556174505 /nfs/dbraw/zinc/17/45/05/556174505.db2.gz RVGMACCIXDFWQQ-UHFFFAOYSA-N 0 0 453.583 4.119 50 0 JIAARN COc1ccccc1OC[C@H](O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000016902938 556174775 /nfs/dbraw/zinc/17/47/75/556174775.db2.gz WHQDIJZHVJHDHK-PZJWPPBQSA-N 0 0 457.530 4.005 50 0 JIAARN O=C(COC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000025051959 556174875 /nfs/dbraw/zinc/17/48/75/556174875.db2.gz LOXYAQJYEXDDNG-XMMPIXPASA-N 0 0 453.498 4.305 50 0 JIAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3C[C@H](O)COc3ccccc3)CC2=O)cc1 ZINC000016903209 556175684 /nfs/dbraw/zinc/17/56/84/556175684.db2.gz FAAAWRJWDHKUJN-FPOVZHCZSA-N 0 0 457.530 4.005 50 0 JIAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3C[C@H](O)COc3cccc(C)c3)CC2=O)cc1 ZINC000016903220 556175691 /nfs/dbraw/zinc/17/56/91/556175691.db2.gz ZRWCLBPGWHJOKF-IRLDBZIGSA-N 0 0 471.557 4.314 50 0 JIAARN Cc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000016903279 556176057 /nfs/dbraw/zinc/17/60/57/556176057.db2.gz XFHTYXSALUDUQF-UGKGYDQZSA-N 0 0 459.521 4.444 50 0 JIAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)C1=O ZINC000025066221 556177987 /nfs/dbraw/zinc/17/79/87/556177987.db2.gz XHCSIISQPKVOMB-RLWLMLJZSA-N 0 0 457.555 4.334 50 0 JIAARN CSCC[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000025077301 556178717 /nfs/dbraw/zinc/17/87/17/556178717.db2.gz WSWQDKFWYCMBQA-UYAOXDASSA-N 0 0 452.580 4.120 50 0 JIAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N1CCN(C)c2nc3ccccc3nc21 ZINC000025092080 556179090 /nfs/dbraw/zinc/17/90/90/556179090.db2.gz HYKLHVPBFSQZOC-UHFFFAOYSA-N 0 0 453.506 4.312 50 0 JIAARN COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)N2CC(=O)Nc3ccccc32)cc1OC ZINC000025107509 556179807 /nfs/dbraw/zinc/17/98/07/556179807.db2.gz UILZGMUNSIXWRW-HXUWFJFHSA-N 0 0 474.517 4.071 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3Cc4ccccc4C[C@@H]3C(=O)N3CCCC3)[C@@H](c3ccco3)C2)cc1 ZINC000012986596 556180584 /nfs/dbraw/zinc/18/05/84/556180584.db2.gz XFXNEUCSGJMULQ-KAYWLYCHSA-N 0 0 496.611 4.315 50 0 JIAARN CCCc1ccc(NC(=O)CSc2nc3ccc(Br)cc3c(=O)n2C[C@H](C)O)cc1 ZINC000012986793 556180841 /nfs/dbraw/zinc/18/08/41/556180841.db2.gz SRZSDYCYYXYOCE-AWEZNQCLSA-N 0 0 490.423 4.223 50 0 JIAARN COc1ccc(CCC(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)cc1 ZINC000016953684 556184437 /nfs/dbraw/zinc/18/44/37/556184437.db2.gz NCKYGOADWOUNEG-UHFFFAOYSA-N 0 0 450.560 4.408 50 0 JIAARN O=C(c1ccc2c(c1)OCO2)N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000025146773 556185226 /nfs/dbraw/zinc/18/52/26/556185226.db2.gz DRCKXZRCAJTFAF-UHFFFAOYSA-N 0 0 452.514 4.378 50 0 JIAARN Cc1ccc([C@@H](OC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C(F)(F)F)cc1 ZINC000012993677 556185856 /nfs/dbraw/zinc/18/58/56/556185856.db2.gz BJWXLRJFBBAGLE-LJQANCHMSA-N 0 0 466.481 4.003 50 0 JIAARN COc1ccc(-c2noc(-c3c(N)n(CC(=O)Nc4ccc(Cl)cc4)nc3SC)n2)cc1 ZINC000016954830 556186308 /nfs/dbraw/zinc/18/63/08/556186308.db2.gz OOPFJSLFMBUPFD-UHFFFAOYSA-N 0 0 470.942 4.205 50 0 JIAARN CCN(CC)c1nc(O)c(CC(=O)Nc2cccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)s1 ZINC000012995103 556187439 /nfs/dbraw/zinc/18/74/39/556187439.db2.gz ZOVXNPVBZTZGEB-DHMAKMBKSA-N 0 0 482.650 4.054 50 0 JIAARN CCOc1ccc(CCNC(=O)COc2cc3ccccc3cc2C(=O)OC)cc1OCC ZINC000012995428 556188111 /nfs/dbraw/zinc/18/81/11/556188111.db2.gz WFBBQSWBXQFKIG-UHFFFAOYSA-N 0 0 451.519 4.162 50 0 JIAARN Cc1ccc(C(=O)OCc2ncc(-c3ccc(F)cc3)o2)cc1S(=O)(=O)N1CCCCC1 ZINC000012996153 556188753 /nfs/dbraw/zinc/18/87/53/556188753.db2.gz XPWSNQAUFUBQMK-UHFFFAOYSA-N 0 0 458.511 4.321 50 0 JIAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)NCc3ccco3)c3ccccc3S2)cc1OC ZINC000016959733 556189598 /nfs/dbraw/zinc/18/95/98/556189598.db2.gz MOYVACCLSMFSTJ-QFIPXVFZSA-N 0 0 452.532 4.183 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1OC ZINC000016960028 556190117 /nfs/dbraw/zinc/19/01/17/556190117.db2.gz BQSLONDGEVSXLI-UHFFFAOYSA-N 0 0 452.532 4.098 50 0 JIAARN CN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016963667 556191571 /nfs/dbraw/zinc/19/15/71/556191571.db2.gz KLJSEQJTFVVGQX-JOCHJYFZSA-N 0 0 461.008 4.196 50 0 JIAARN COc1ccc(-n2c(SCC(=O)NCC(C)C)nc3sc4c(c3c2=O)CCCS4)cc1 ZINC000013002272 556195359 /nfs/dbraw/zinc/19/53/59/556195359.db2.gz RWSXEAAPPRROBC-UHFFFAOYSA-N 0 0 475.661 4.358 50 0 JIAARN Cc1nc(-c2ccccc2)sc1CCNS(=O)(=O)c1ccc(I)cc1 ZINC000016992268 556195846 /nfs/dbraw/zinc/19/58/46/556195846.db2.gz HTMOTUISQSAEPR-UHFFFAOYSA-N 0 0 484.384 4.244 50 0 JIAARN CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NC(=O)c1ccccc1 ZINC000013004668 556196848 /nfs/dbraw/zinc/19/68/48/556196848.db2.gz RNOGOOOEFCCSNY-UHFFFAOYSA-N 0 0 469.617 4.249 50 0 JIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)Nc3nc4ccccc4s3)c12 ZINC000016993128 556197288 /nfs/dbraw/zinc/19/72/88/556197288.db2.gz JJNLDSSCBORCIS-AWEZNQCLSA-N 0 0 493.570 4.221 50 0 JIAARN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000013006537 556198113 /nfs/dbraw/zinc/19/81/13/556198113.db2.gz NREQDUNXINKGCS-LJQANCHMSA-N 0 0 453.587 4.300 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)N2CCOC23CCN(C(=O)c2c(F)cccc2Cl)CC3)c(C)c1 ZINC000016994201 556198645 /nfs/dbraw/zinc/19/86/45/556198645.db2.gz MEPPKCGKTAVGSF-UHFFFAOYSA-N 0 0 480.989 4.058 50 0 JIAARN COc1cc(CNC(=O)N2CCN(Cc3ccc(Br)s3)CC2)ccc1OC(F)F ZINC000013007126 556198744 /nfs/dbraw/zinc/19/87/44/556198744.db2.gz OPBBVQVJDQLQGQ-UHFFFAOYSA-N 0 0 490.370 4.148 50 0 JIAARN Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)n(-c2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)n1 ZINC000017011681 556201404 /nfs/dbraw/zinc/20/14/04/556201404.db2.gz AAKLCOBNBGPZIA-HNNXBMFYSA-N 0 0 489.923 4.075 50 0 JIAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)nn2)n1 ZINC000013010142 556202302 /nfs/dbraw/zinc/20/23/02/556202302.db2.gz GNQYVBNKOOUDIT-UHFFFAOYSA-N 0 0 454.943 4.477 50 0 JIAARN C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccccc1Cl ZINC000013013805 556204946 /nfs/dbraw/zinc/20/49/46/556204946.db2.gz CIVORSBPSGIXRP-SCLBCKFNSA-N 0 0 471.804 4.133 50 0 JIAARN COc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccc(C)cc4C)c3=O)n2)cc1 ZINC000017025904 556205074 /nfs/dbraw/zinc/20/50/74/556205074.db2.gz YKAORCDJGPVAJA-UHFFFAOYSA-N 0 0 458.518 4.446 50 0 JIAARN O=C(CN1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1)N1CCCC1 ZINC000025194680 556205158 /nfs/dbraw/zinc/20/51/58/556205158.db2.gz MGPARDZTUVNUOT-UHFFFAOYSA-N 0 0 458.027 4.013 50 0 JIAARN COc1ccc2c(c1)nc(N1CCN(S(=O)(=O)c3ccccc3)CC1)cc2-c1ccccc1 ZINC000013014099 556205257 /nfs/dbraw/zinc/20/52/57/556205257.db2.gz LFTQWJVJMFSBQC-UHFFFAOYSA-N 0 0 459.571 4.421 50 0 JIAARN COc1ccccc1C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(C)cc1C ZINC000017026141 556205850 /nfs/dbraw/zinc/20/58/50/556205850.db2.gz LNMDUJBTDBTDNK-UHFFFAOYSA-N 0 0 453.506 4.187 50 0 JIAARN Cc1ccc(CNC(=O)Cn2cc(S(=O)(=O)Cc3ccc(F)cc3)c3ccccc32)cc1 ZINC000017041588 556208341 /nfs/dbraw/zinc/20/83/41/556208341.db2.gz HPHCVJSTCWZXAR-UHFFFAOYSA-N 0 0 450.535 4.379 50 0 JIAARN COc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)cc1Cl ZINC000013018492 556210510 /nfs/dbraw/zinc/21/05/10/556210510.db2.gz WWEPGLHXTFPWHY-UHFFFAOYSA-N 0 0 468.893 4.390 50 0 JIAARN COc1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000013022013 556211781 /nfs/dbraw/zinc/21/17/81/556211781.db2.gz GXEXDJRJZZLWFV-UHFFFAOYSA-N 0 0 459.395 4.061 50 0 JIAARN Cc1ccc(-n2c3nc(SCC(=O)NCc4ccccc4)n(C)c(=O)c3sc2=S)cc1 ZINC000017052330 556213221 /nfs/dbraw/zinc/21/32/21/556213221.db2.gz NBPJJOSOHOPVMO-UHFFFAOYSA-N 0 0 468.629 4.232 50 0 JIAARN O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000025398601 556213562 /nfs/dbraw/zinc/21/35/62/556213562.db2.gz FSOQFXDVEPLYAJ-UHFFFAOYSA-N 0 0 452.971 4.349 50 0 JIAARN C[C@H](C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000025424661 556214660 /nfs/dbraw/zinc/21/46/60/556214660.db2.gz VECBTBWHOPXDTH-OAHLLOKOSA-N 0 0 458.495 4.044 50 0 JIAARN Cc1ccc(CN2c3ccc(Br)cc3[C@@](O)(CC(=O)c3ccccc3O)C2=O)cc1 ZINC000017086664 556216576 /nfs/dbraw/zinc/21/65/76/556216576.db2.gz JMMSSIQXOYPING-DEOSSOPVSA-N 0 0 466.331 4.471 50 0 JIAARN COc1ccc([C@H]([C@H](O)C(=O)c2c[nH]c3ccccc23)N2CCN(c3ccccc3)CC2)cc1 ZINC000025480563 556217950 /nfs/dbraw/zinc/21/79/50/556217950.db2.gz XXBYDHMMYPBHLF-IAPPQJPRSA-N 0 0 455.558 4.284 50 0 JIAARN CCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(NC(C)=O)cc1)C(Cl)(Cl)Cl ZINC000025559630 556220906 /nfs/dbraw/zinc/22/09/06/556220906.db2.gz UXAJWBBXFYIALM-HNNXBMFYSA-N 0 0 453.823 4.324 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3C(=O)[C@@H](C)N(c4ccc(C)cc4)C3=O)[C@@H](c3cccs3)C2)o1 ZINC000013029998 556224477 /nfs/dbraw/zinc/22/44/77/556224477.db2.gz UGPMUIQIUFQNNQ-YLJYHZDGSA-N 0 0 476.558 4.493 50 0 JIAARN O=C(c1cccs1)N1CCC(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)CC1 ZINC000025725337 556231484 /nfs/dbraw/zinc/23/14/84/556231484.db2.gz FKVFXRQABJJCLJ-KRWDZBQOSA-N 0 0 455.605 4.422 50 0 JIAARN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)N(CC(C)C)CC(C)C ZINC000013037940 556233773 /nfs/dbraw/zinc/23/37/73/556233773.db2.gz DPTPIGNQAVRDOC-UHFFFAOYSA-N 0 0 494.588 4.179 50 0 JIAARN Cc1c(NC(=O)COC(=O)c2cccc(OCc3cccc(C)c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000025780691 556234139 /nfs/dbraw/zinc/23/41/39/556234139.db2.gz OBJSYNHGZIYKPQ-UHFFFAOYSA-N 0 0 485.540 4.167 50 0 JIAARN CC(C)N(C(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)C(C)C ZINC000013038314 556236094 /nfs/dbraw/zinc/23/60/94/556236094.db2.gz YKOCIPJJOWFTBL-UHFFFAOYSA-N 0 0 488.650 4.265 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CN1CCC[C@H]1c1ccc3c(c1)OCCO3)CCCC2 ZINC000013038414 556236367 /nfs/dbraw/zinc/23/63/67/556236367.db2.gz UZAKWTVUZWFRMG-SFHVURJKSA-N 0 0 470.591 4.350 50 0 JIAARN CC1=C2C(=NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)N(c2ccc(C)cc2)N1 ZINC000013038479 556236439 /nfs/dbraw/zinc/23/64/39/556236439.db2.gz MXTXZPQYXDEABC-DNQXCXABSA-N 0 0 454.505 4.254 50 0 JIAARN CC1=C2C(=NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2cccc(F)c2)N(c2ccc(C)cc2)N1 ZINC000013038493 556236764 /nfs/dbraw/zinc/23/67/64/556236764.db2.gz DODPQHGGCPUGBL-ZEQRLZLVSA-N 0 0 454.505 4.254 50 0 JIAARN O=C(NCc1ccc(F)cc1)c1cn(Cc2ccc(F)cc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000017192437 556237242 /nfs/dbraw/zinc/23/72/42/556237242.db2.gz PINLWYOFVKPPIH-UHFFFAOYSA-N 0 0 470.479 4.395 50 0 JIAARN COc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)cc(OC)c1OC ZINC000026090568 556240982 /nfs/dbraw/zinc/24/09/82/556240982.db2.gz KFXKRWIHMBSFIC-UHFFFAOYSA-N 0 0 483.571 4.204 50 0 JIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccncc3)nn2[C@H]1c1ccc(F)cc1 ZINC000017243911 556245333 /nfs/dbraw/zinc/24/53/33/556245333.db2.gz MJPSMGLVDHJLFZ-QFIPXVFZSA-N 0 0 456.481 4.415 50 0 JIAARN CCCn1c(CN2CCOCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000026121388 556249576 /nfs/dbraw/zinc/24/95/76/556249576.db2.gz PREHLDCANDQXJG-UHFFFAOYSA-N 0 0 457.372 4.293 50 0 JIAARN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C(C)=O)c3)nc2O)cc1 ZINC000017271427 556249782 /nfs/dbraw/zinc/24/97/82/556249782.db2.gz DODGFRZQPGWCEQ-UHFFFAOYSA-N 0 0 499.614 4.291 50 0 JIAARN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C)c3)nc2O)cc1 ZINC000017271420 556249905 /nfs/dbraw/zinc/24/99/05/556249905.db2.gz XOKCCBUAHVGLLP-UHFFFAOYSA-N 0 0 471.604 4.397 50 0 JIAARN Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1SCC(=O)NCc1ccco1 ZINC000013055914 556250523 /nfs/dbraw/zinc/25/05/23/556250523.db2.gz DVHWLEUDPOVXAI-QGZVFWFLSA-N 0 0 452.532 4.181 50 0 JIAARN CCOC(=O)C1CCN([C@@H](c2cccc(Cl)c2)c2c(O)cc(C)n(Cc3cccnc3)c2=O)CC1 ZINC000017296941 556252137 /nfs/dbraw/zinc/25/21/37/556252137.db2.gz VBYBBILBJNMDLQ-VWLOTQADSA-N 0 0 496.007 4.324 50 0 JIAARN CCOC(=O)N1CCN(C(=O)CSc2ccc(-c3sc(-c4cccs4)nc3C)nn2)CC1 ZINC000017297120 556252394 /nfs/dbraw/zinc/25/23/94/556252394.db2.gz HNSDMKJFXLQLDG-UHFFFAOYSA-N 0 0 489.648 4.030 50 0 JIAARN O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000026361187 556252491 /nfs/dbraw/zinc/25/24/91/556252491.db2.gz ZHMKBKBVVSBRLD-XMMPIXPASA-N 0 0 463.603 4.326 50 0 JIAARN Cc1cc(CSc2ncccc2C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)no1 ZINC000026369010 556252807 /nfs/dbraw/zinc/25/28/07/556252807.db2.gz IQOGYKIVPQORAY-MRXNPFEDSA-N 0 0 486.619 4.343 50 0 JIAARN CCOC(=O)C1=C(CSc2nnc(-c3ccccc3OC)n2C2CCCCC2)NC(=O)N[C@H]1C ZINC000013057863 556253226 /nfs/dbraw/zinc/25/32/26/556253226.db2.gz BFIRFFPZDTUXEW-HNNXBMFYSA-N 0 0 485.610 4.070 50 0 JIAARN CCOC(=O)C1=C(CSc2nnc(-c3ccccc3OC)n2C2CCCCC2)NC(=O)N[C@@H]1C ZINC000013057861 556253266 /nfs/dbraw/zinc/25/32/66/556253266.db2.gz BFIRFFPZDTUXEW-OAHLLOKOSA-N 0 0 485.610 4.070 50 0 JIAARN CCc1ccc(N2C[C@H](C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)CC2=O)cc1 ZINC000013058529 556253930 /nfs/dbraw/zinc/25/39/30/556253930.db2.gz GXQUJVWWSDERLR-HXUWFJFHSA-N 0 0 460.603 4.255 50 0 JIAARN CCOc1cc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)CC)cc(OCC)c1OCC ZINC000017307130 556254653 /nfs/dbraw/zinc/25/46/53/556254653.db2.gz LKKOJUWRBHBQGF-UHFFFAOYSA-N 0 0 476.595 4.237 50 0 JIAARN COc1ccc(OCCN2CCN(C(=O)c3c(C)nn(Cc4ccc(C)cc4)c3Cl)CC2)cc1 ZINC000013061402 556256586 /nfs/dbraw/zinc/25/65/86/556256586.db2.gz OIVQLWBRQMFBQE-UHFFFAOYSA-N 0 0 483.012 4.047 50 0 JIAARN Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SCC(=O)NCc2ccco2)c1 ZINC000013062224 556257478 /nfs/dbraw/zinc/25/74/78/556257478.db2.gz RWRVLWYXDXTYGS-KRWDZBQOSA-N 0 0 452.532 4.181 50 0 JIAARN Cc1ccc(-c2noc([C@@H](C)N3CCN([C@H](C)C(=O)Nc4ccc(OC(F)F)cc4)CC3)n2)cc1 ZINC000026599567 556257731 /nfs/dbraw/zinc/25/77/31/556257731.db2.gz FCEBYOJHXVSTAQ-QZTJIDSGSA-N 0 0 485.535 4.352 50 0 JIAARN CCOc1ccc2nc(NC(=O)c3cccn(OCc4cccc(Cl)c4)c3=O)sc2c1 ZINC000017315751 556257792 /nfs/dbraw/zinc/25/77/92/556257792.db2.gz ICYIZZPZUUSZSC-UHFFFAOYSA-N 0 0 455.923 4.391 50 0 JIAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000013062951 556258620 /nfs/dbraw/zinc/25/86/20/556258620.db2.gz FBMXTLRXNBTMSR-UHFFFAOYSA-N 0 0 488.569 4.473 50 0 JIAARN COc1ccc(-c2nc(CSc3nnc(N4CCOCC4)n3CC(C)C)cs2)cc1OC ZINC000026665071 556258750 /nfs/dbraw/zinc/25/87/50/556258750.db2.gz NFJRUDSYLRGGLL-UHFFFAOYSA-N 0 0 475.640 4.204 50 0 JIAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000026687970 556259325 /nfs/dbraw/zinc/25/93/25/556259325.db2.gz ALCRUUSLPYEUSK-DEOSSOPVSA-N 0 0 488.569 4.371 50 0 JIAARN COc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)NC1CCCC1 ZINC000017355743 556259364 /nfs/dbraw/zinc/25/93/64/556259364.db2.gz DVWYANREAVOQCA-ASXFNGKXSA-N 0 0 460.640 4.251 50 0 JIAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013063337 556259917 /nfs/dbraw/zinc/25/99/17/556259917.db2.gz PEFMTJDSDINAGR-UHFFFAOYSA-N 0 0 494.548 4.038 50 0 JIAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013063339 556259939 /nfs/dbraw/zinc/25/99/39/556259939.db2.gz HOTZOKLUQWPAQD-UHFFFAOYSA-N 0 0 490.585 4.207 50 0 JIAARN CCCCn1c2nc(-c3ccc(-c4ccccc4Br)o3)n(CCOC)c2c(=O)[nH]c1=O ZINC000017485033 556261431 /nfs/dbraw/zinc/26/14/31/556261431.db2.gz KZVACJHVCYSSFA-UHFFFAOYSA-N 0 0 487.354 4.022 50 0 JIAARN CCOc1ccc(-n2c(SCc3nnnn3-c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000017660895 556263583 /nfs/dbraw/zinc/26/35/83/556263583.db2.gz UQMUWIHOZCEYMH-UHFFFAOYSA-N 0 0 456.531 4.052 50 0 JIAARN COCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000017674102 556263934 /nfs/dbraw/zinc/26/39/34/556263934.db2.gz PRIRYPDWSRSZFZ-FQEVSTJZSA-N 0 0 457.983 4.152 50 0 JIAARN O=C(CN1CCN(C(=O)COc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013070910 556268721 /nfs/dbraw/zinc/26/87/21/556268721.db2.gz GPQKINFCOIARDI-UHFFFAOYSA-N 0 0 490.309 4.174 50 0 JIAARN COc1cc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccccc1Cl ZINC000017852105 556269095 /nfs/dbraw/zinc/26/90/95/556269095.db2.gz DOGGHKPUUZIMTI-OAHLLOKOSA-N 0 0 474.966 4.066 50 0 JIAARN CCCCn1c(CCC(=O)Nc2ccc(F)c(Cl)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000013071314 556269324 /nfs/dbraw/zinc/26/93/24/556269324.db2.gz JEPCJHAAFIZUAH-UHFFFAOYSA-N 0 0 480.993 4.451 50 0 JIAARN CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1C(=O)COc1ccc(C)cc1 ZINC000027018908 556269968 /nfs/dbraw/zinc/26/99/68/556269968.db2.gz YECJHNNDWNLJES-QHCPKHFHSA-N 0 0 473.529 4.155 50 0 JIAARN CC1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000013073441 556273244 /nfs/dbraw/zinc/27/32/44/556273244.db2.gz 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COC(=O)c1ccc(NC(=O)/C(=C/c2cccc(Br)c2)NC(=O)c2ccco2)cc1 ZINC000027532546 556292863 /nfs/dbraw/zinc/29/28/63/556292863.db2.gz JJODUIKGMHHUCU-AQTBWJFISA-N 0 0 469.291 4.238 50 0 JIAARN Cc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)sc2nc(C)nc(N3CCN(c4ccccn4)CC3)c12 ZINC000027534481 556294210 /nfs/dbraw/zinc/29/42/10/556294210.db2.gz CSZVGNDGTIRBKZ-IAGOWNOFSA-N 0 0 464.639 4.148 50 0 JIAARN O=C(Nc1ccc2ccccc2c1)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000013098964 556298939 /nfs/dbraw/zinc/29/89/39/556298939.db2.gz BEBHBQFSAOOTDE-UHFFFAOYSA-N 0 0 460.511 4.299 50 0 JIAARN CCOC(=O)c1ccc(COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)o1 ZINC000018190952 556300830 /nfs/dbraw/zinc/30/08/30/556300830.db2.gz XSOPLJYPLZCEEH-UHFFFAOYSA-N 0 0 453.834 4.267 50 0 JIAARN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)cc1 ZINC000018195318 556302352 /nfs/dbraw/zinc/30/23/52/556302352.db2.gz RVZGRXLNSUSXAK-ADXLDGDMSA-N 0 0 491.617 4.322 50 0 JIAARN CCOc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1S(=O)(=O)N1CCCC1 ZINC000013102394 556303656 /nfs/dbraw/zinc/30/36/56/556303656.db2.gz WSXBJCLYWPHCFW-UHFFFAOYSA-N 0 0 499.589 4.306 50 0 JIAARN O=C1N[C@H](c2ccc(Cl)cc2Cl)C(=C(O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000027664412 556303722 /nfs/dbraw/zinc/30/37/22/556303722.db2.gz AYUJYCYFVGSBEE-CKEIUWERSA-N 0 0 451.203 4.236 50 0 JIAARN O=C(CNS(=O)(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccccc1 ZINC000018197914 556304486 /nfs/dbraw/zinc/30/44/86/556304486.db2.gz SMUMYRVCRQUMFD-UHFFFAOYSA-N 0 0 462.449 4.119 50 0 JIAARN O=C(CNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000018197897 556304490 /nfs/dbraw/zinc/30/44/90/556304490.db2.gz PAVHWVHVDCOBPP-UHFFFAOYSA-N 0 0 463.342 4.407 50 0 JIAARN O=C(NCCc1c[nH]c2ccccc12)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl ZINC000013108329 556305463 /nfs/dbraw/zinc/30/54/63/556305463.db2.gz KTAZZRBUWWURPJ-UHFFFAOYSA-N 0 0 498.004 4.151 50 0 JIAARN COc1ccc(CCNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C)cc1OC ZINC000027753072 556305984 /nfs/dbraw/zinc/30/59/84/556305984.db2.gz UNXTXYIQAWDFIF-UHFFFAOYSA-N 0 0 489.601 4.106 50 0 JIAARN CCCOc1ccc(CN(C(=O)c2cc(=O)c3cc(C)cc(C)c3o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027756189 556306187 /nfs/dbraw/zinc/30/61/87/556306187.db2.gz RLERWAHUUXHPGM-FQEVSTJZSA-N 0 0 483.586 4.028 50 0 JIAARN CC(=O)c1ccc(-c2ccc([C@@H]3NC(=O)N[C@@](O)(C(F)(F)F)C3=C(O)c3ccccc3)o2)cc1 ZINC000027755429 556306250 /nfs/dbraw/zinc/30/62/50/556306250.db2.gz YFXBGKAKTNERBM-JTAQYXEDSA-N 0 0 472.419 4.253 50 0 JIAARN COc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)ccc1O ZINC000018209670 556310460 /nfs/dbraw/zinc/31/04/60/556310460.db2.gz XHLDEPUWGZRKSE-ZRBLBEILSA-N 0 0 464.905 4.101 50 0 JIAARN CCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)cc1 ZINC000013110035 556310764 /nfs/dbraw/zinc/31/07/64/556310764.db2.gz CJTMSGHTDPQKRW-UHFFFAOYSA-N 0 0 484.603 4.195 50 0 JIAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1N ZINC000013112271 556312693 /nfs/dbraw/zinc/31/26/93/556312693.db2.gz RKXKNGWJRRWDEI-UHFFFAOYSA-N 0 0 467.986 4.154 50 0 JIAARN COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)c1 ZINC000013112345 556313172 /nfs/dbraw/zinc/31/31/72/556313172.db2.gz KEMBYDUSOGWEJM-GOSISDBHSA-N 0 0 457.527 4.255 50 0 JIAARN Cc1ccc2c(Cl)cc(Cl)c(OC(=O)c3cc(S(=O)(=O)N4CCCC4)cn3C)c2n1 ZINC000018228674 556313590 /nfs/dbraw/zinc/31/35/90/556313590.db2.gz HRZCJNNBUPNNAN-UHFFFAOYSA-N 0 0 468.362 4.192 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2cc3c(cc2Sc2ccc(Cl)cc2)n(C)c(=O)n3C)cc1 ZINC000028049045 556313918 /nfs/dbraw/zinc/31/39/18/556313918.db2.gz NGHGZCWZNJZEHB-UHFFFAOYSA-N 0 0 490.006 4.491 50 0 JIAARN COc1ccc(CC(=O)Nc2cc3c(cc2Sc2ccc(OC)cc2)n(C)c(=O)n3C)cc1 ZINC000028049308 556314307 /nfs/dbraw/zinc/31/43/07/556314307.db2.gz NQOAWBAWPKHKEF-UHFFFAOYSA-N 0 0 463.559 4.227 50 0 JIAARN COc1ccc(-c2csc(NC(=O)CSc3nnnn3-c3ccc(C)cc3C)n2)cc1OC ZINC000013112594 556314376 /nfs/dbraw/zinc/31/43/76/556314376.db2.gz HDSVMXNGDYSDTP-UHFFFAOYSA-N 0 0 482.591 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VTJUASOUKBXSLA-GFCCVEGCSA-N 0 0 450.720 4.053 50 0 JIAARN Cc1ccccc1N1CCN(C(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1 ZINC000032579019 556446167 /nfs/dbraw/zinc/44/61/67/556446167.db2.gz GZQPWDSWWOVFGA-UHFFFAOYSA-N 0 0 454.530 4.440 50 0 JIAARN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)no2)cc1 ZINC000032622932 556453118 /nfs/dbraw/zinc/45/31/18/556453118.db2.gz WNQBTTWNXJNZAX-DEOSSOPVSA-N 0 0 463.578 4.451 50 0 JIAARN CC(=O)c1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccc(Cl)cc3)ncc2Cl)cc1C ZINC000032623908 556453965 /nfs/dbraw/zinc/45/39/65/556453965.db2.gz WXEDTOWJUWFOGQ-UHFFFAOYSA-N 0 0 479.341 4.488 50 0 JIAARN Cc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Cl)cc4)c(=O)n32)o1 ZINC000032665872 556466532 /nfs/dbraw/zinc/46/65/32/556466532.db2.gz UIEJWPAQFKAXFR-XOYGFPHKSA-N 0 0 489.984 4.429 50 0 JIAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000032675827 556469124 /nfs/dbraw/zinc/46/91/24/556469124.db2.gz XIFJTOODIHWBMC-UHFFFAOYSA-N 0 0 474.538 4.342 50 0 JIAARN O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000032679049 556470140 /nfs/dbraw/zinc/47/01/40/556470140.db2.gz JZOFUBZXLUUXSL-UHFFFAOYSA-N 0 0 470.598 4.296 50 0 JIAARN CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@](CC)(c3ccc(C)cc3)C2=O)sc2c1CC[C@@H](C)C2 ZINC000032720218 556474552 /nfs/dbraw/zinc/47/45/52/556474552.db2.gz NWMMXBSVBQGMMO-DXPJPUQTSA-N 0 0 497.617 4.154 50 0 JIAARN Cc1cc(NC(=O)c2oc3ccccc3c2COc2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000032736044 556477554 /nfs/dbraw/zinc/47/75/54/556477554.db2.gz QAFSTXFYMXONPG-QGZVFWFLSA-N 0 0 465.531 4.129 50 0 JIAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)N3CCCc4ccccc43)C2=O)cc1C ZINC000032736680 556477933 /nfs/dbraw/zinc/47/79/33/556477933.db2.gz KTMHPAFDEBUTGO-MUUNZHRXSA-N 0 0 453.542 4.078 50 0 JIAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(Cc3nc(-c4ccc(F)cc4)no3)C2=O)cc1C ZINC000032736685 556477942 /nfs/dbraw/zinc/47/79/42/556477942.db2.gz POLQNKSELTWVSM-SANMLTNESA-N 0 0 456.477 4.488 50 0 JIAARN CN(CCCNC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccccc1 ZINC000032745215 556482868 /nfs/dbraw/zinc/48/28/68/556482868.db2.gz CWXBCIRGKKHGHX-UHFFFAOYSA-N 0 0 461.591 4.321 50 0 JIAARN Cc1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1Cl ZINC000032760497 556488118 /nfs/dbraw/zinc/48/81/18/556488118.db2.gz FWRFKYJAKMVPDA-ZDUSSCGKSA-N 0 0 450.409 4.395 50 0 JIAARN COc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC000032764855 556488436 /nfs/dbraw/zinc/48/84/36/556488436.db2.gz VEQOJCAHUFPEIF-IERDGZPVSA-N 0 0 485.606 4.153 50 0 JIAARN CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000032771368 556490013 /nfs/dbraw/zinc/49/00/13/556490013.db2.gz FIVINNKLVJKSHR-UHFFFAOYSA-N 0 0 455.285 4.106 50 0 JIAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)s1 ZINC000032808920 556498600 /nfs/dbraw/zinc/49/86/00/556498600.db2.gz BPVOJGXDWLTTEB-UHFFFAOYSA-N 0 0 453.587 4.371 50 0 JIAARN Cc1nc(-c2ccc(OCC(=O)Nc3ccccc3S(=O)(=O)N(C)C3CCCCC3)cc2)no1 ZINC000032810236 556501017 /nfs/dbraw/zinc/50/10/17/556501017.db2.gz HHOFUCKJONJVHE-UHFFFAOYSA-N 0 0 484.578 4.016 50 0 JIAARN CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c2nc3ccccc3nc21 ZINC000032827346 556505452 /nfs/dbraw/zinc/50/54/52/556505452.db2.gz PQKDEVNDMUJMPV-MRXNPFEDSA-N 0 0 484.387 4.272 50 0 JIAARN C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000032855399 556512190 /nfs/dbraw/zinc/51/21/90/556512190.db2.gz KWSCLKGLIIRIJH-INIZCTEOSA-N 0 0 479.583 4.121 50 0 JIAARN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2C[C@H](C(=O)NC)Oc3ccccc32)cc1 ZINC000032857992 556513146 /nfs/dbraw/zinc/51/31/46/556513146.db2.gz BTFBJZCIYOGECR-XMMPIXPASA-N 0 0 495.963 4.483 50 0 JIAARN CCc1ccc(Cl)c(CC)c1NC(=O)CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000032860163 556514628 /nfs/dbraw/zinc/51/46/28/556514628.db2.gz SQGPYJIVTAGPLT-INIZCTEOSA-N 0 0 471.001 4.099 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 ZINC000032866006 556516493 /nfs/dbraw/zinc/51/64/93/556516493.db2.gz QRDVSDZLXLLNPQ-UHFFFAOYSA-N 0 0 487.516 4.069 50 0 JIAARN CCc1cccc(-n2c(SCCC(=O)N[C@H](C)c3ccccc3)nnc2N2CCOCC2)c1 ZINC000032871218 556518174 /nfs/dbraw/zinc/51/81/74/556518174.db2.gz KXNOUSSNXLLPPS-LJQANCHMSA-N 0 0 465.623 4.026 50 0 JIAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)cc12 ZINC000032876330 556519058 /nfs/dbraw/zinc/51/90/58/556519058.db2.gz DAEDJGKFVUPUKZ-UHFFFAOYSA-N 0 0 470.624 4.132 50 0 JIAARN O=C(CSc1nnnn1Cc1ccco1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000032879669 556520563 /nfs/dbraw/zinc/52/05/63/556520563.db2.gz LFCVCZMCDDDRFX-GOSISDBHSA-N 0 0 474.502 4.124 50 0 JIAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000032882125 556521265 /nfs/dbraw/zinc/52/12/65/556521265.db2.gz XTAHFAXLJACSBE-HXUWFJFHSA-N 0 0 455.967 4.136 50 0 JIAARN O=C(Cc1nc2ccccc2n1C[C@@H](O)CO[C@@H]1CCCc2ccccc21)NCc1ccc(F)cc1 ZINC000032888293 556522885 /nfs/dbraw/zinc/52/28/85/556522885.db2.gz WZRGDAQADOECRL-YIXXDRMTSA-N 0 0 487.575 4.489 50 0 JIAARN O=C(Cc1sc(N2CCCC2)nc1O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000032901538 556528834 /nfs/dbraw/zinc/52/88/34/556528834.db2.gz BDSWXHQDZIPOLV-YADHBBJMSA-N 0 0 494.592 4.225 50 0 JIAARN CN(C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)[C@@H]1CCc2ccccc21 ZINC000032905640 556530810 /nfs/dbraw/zinc/53/08/10/556530810.db2.gz ODXROLQJOAHZIW-HXUWFJFHSA-N 0 0 466.525 4.252 50 0 JIAARN O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000032907437 556531850 /nfs/dbraw/zinc/53/18/50/556531850.db2.gz GEDDZVQKUMBMQI-UHFFFAOYSA-N 0 0 469.954 4.327 50 0 JIAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000032911146 556535839 /nfs/dbraw/zinc/53/58/39/556535839.db2.gz JAMRDWOZVADWHZ-LJQANCHMSA-N 0 0 466.559 4.429 50 0 JIAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000032911981 556536493 /nfs/dbraw/zinc/53/64/93/556536493.db2.gz YVEZCWUMDFQHEL-UHFFFAOYSA-N 0 0 484.478 4.248 50 0 JIAARN CCCN(Cc1ccc(C)cc1)C(=O)CN(c1ccnn1C(C)C)S(=O)(=O)c1ccccc1 ZINC000032925468 556542162 /nfs/dbraw/zinc/54/21/62/556542162.db2.gz CQZXCQAZZRPYCQ-UHFFFAOYSA-N 0 0 468.623 4.407 50 0 JIAARN COc1ccc(NC(=O)C(=O)NCCSCc2ccsc2)cc1NC(=O)OC(C)(C)C ZINC000032937329 556552434 /nfs/dbraw/zinc/55/24/34/556552434.db2.gz SJEZSRAAXDTXCZ-UHFFFAOYSA-N 0 0 465.597 4.092 50 0 JIAARN CC(=O)N1CCC(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)(c2ccccc2)CC1 ZINC000032938352 556552990 /nfs/dbraw/zinc/55/29/90/556552990.db2.gz PWFZULFZYZLTFQ-UHFFFAOYSA-N 0 0 460.534 4.120 50 0 JIAARN C[C@H](C(=O)NCc1cccc(Br)c1)n1c(=O)c(C(F)(F)F)nc2ccccc21 ZINC000032944904 556559324 /nfs/dbraw/zinc/55/93/24/556559324.db2.gz FFZJLPAFVSWNFU-LLVKDONJSA-N 0 0 454.246 4.055 50 0 JIAARN O=C(CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[nH]1)N1CCCCC1 ZINC000032948392 556563771 /nfs/dbraw/zinc/56/37/71/556563771.db2.gz MDDPJXBWWYEEEV-UHFFFAOYSA-N 0 0 453.014 4.263 50 0 JIAARN COC(=O)c1ccccc1NC(=O)N[C@H](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000032948868 556564965 /nfs/dbraw/zinc/56/49/65/556564965.db2.gz ITMBBXOIIQUVOF-LJQANCHMSA-N 0 0 450.466 4.317 50 0 JIAARN CCCc1ccc(S(=O)(=O)N2CCC(n3c4ncccc4nc3C(F)(F)F)CC2)cc1 ZINC000032950359 556565702 /nfs/dbraw/zinc/56/57/02/556565702.db2.gz LYDZAHIHUAWIJF-UHFFFAOYSA-N 0 0 452.502 4.428 50 0 JIAARN Cn1c(=O)c2sc(=S)n(-c3ccc(Cl)cc3)c2nc1SCC(=O)NCc1ccco1 ZINC000032952788 556567922 /nfs/dbraw/zinc/56/79/22/556567922.db2.gz QURJJDURHKOBSP-UHFFFAOYSA-N 0 0 479.008 4.170 50 0 JIAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc2[C@H](C)Oc2ccccc2)cc1S(=O)(=O)N(C)C ZINC000032957902 556571735 /nfs/dbraw/zinc/57/17/35/556571735.db2.gz CMFYNIVRIXAGJL-IBGZPJMESA-N 0 0 492.601 4.374 50 0 JIAARN O=C(Cn1c2ccccc2nc1C(=O)c1ccc(Br)cc1)NCCc1ccccc1 ZINC000032959096 556575565 /nfs/dbraw/zinc/57/55/65/556575565.db2.gz CRLOBKJGQYSWGD-UHFFFAOYSA-N 0 0 462.347 4.389 50 0 JIAARN CCC[NH+]1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000032961770 556579030 /nfs/dbraw/zinc/57/90/30/556579030.db2.gz JYIHPLYQZDQFQO-UHFFFAOYSA-N 0 0 472.394 4.024 50 0 JIAARN COc1ccc([C@@H]2C(=O)N(C3CCCCCC3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000008583329 562940169 /nfs/dbraw/zinc/94/01/69/562940169.db2.gz HYJRVJAROPSQEU-HHHXNRCGSA-N 0 0 480.605 4.390 50 0 JIAARN COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)Nc5cccc(OC)c5)C4)sc3n2)cc1 ZINC000008583900 562940469 /nfs/dbraw/zinc/94/04/69/562940469.db2.gz RWSBBEBTPHGQOT-KRWDZBQOSA-N 0 0 463.563 4.330 50 0 JIAARN Cc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2c[nH]c3ccccc23)cc1C ZINC000008588229 562941324 /nfs/dbraw/zinc/94/13/24/562941324.db2.gz WLOPILXQHCAILO-UHFFFAOYSA-N 0 0 484.585 4.258 50 0 JIAARN O=c1c2oc3ccccc3c2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000008589181 562941976 /nfs/dbraw/zinc/94/19/76/562941976.db2.gz VALSARQFZSVXPR-UHFFFAOYSA-N 0 0 460.873 4.388 50 0 aggregator JIAARN COc1ccccc1N(CC(=O)NCCSCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000008589880 562942434 /nfs/dbraw/zinc/94/24/34/562942434.db2.gz BHLWYMFRLYEQQS-UHFFFAOYSA-N 0 0 484.643 4.249 50 0 JIAARN COc1cc(OC)c(NC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)cc1Cl ZINC000008591396 562942856 /nfs/dbraw/zinc/94/28/56/562942856.db2.gz ZDHZHUWWZYCUHN-OAHLLOKOSA-N 0 0 484.988 4.078 50 0 JIAARN Cc1ccc(C)c(N2CCN(c3nc4ccc(C(=O)c5ccccc5)cc4n4cnnc34)CC2)c1 ZINC000008594145 562943524 /nfs/dbraw/zinc/94/35/24/562943524.db2.gz YJIUBPDXZQMZHS-UHFFFAOYSA-N 0 0 462.557 4.452 50 0 JIAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CC(=O)NC2CCCCC2)C3=O)cc1C ZINC000008595726 562944149 /nfs/dbraw/zinc/94/41/49/562944149.db2.gz RLZZMHHXNYLNOM-AREMUKBSSA-N 0 0 463.603 4.032 50 0 JIAARN Cc1ccc(S(=O)(=O)c2cn(Cc3ccccc3)c3cc(N4CCOCC4)c(F)cc3c2=O)cc1 ZINC000008596462 562944475 /nfs/dbraw/zinc/94/44/75/562944475.db2.gz XZBYHMNHNDWGIB-UHFFFAOYSA-N 0 0 492.572 4.167 50 0 JIAARN CC(=O)N1CCc2c(sc3c2c(=O)n(CCc2ccccc2)c(=O)n3Cc2ccc(Cl)cc2)C1 ZINC000008604621 562946455 /nfs/dbraw/zinc/94/64/55/562946455.db2.gz UNIHTCFCHVRNCF-UHFFFAOYSA-N 0 0 494.016 4.074 50 0 JIAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)c2)no1 ZINC000008607515 562946990 /nfs/dbraw/zinc/94/69/90/562946990.db2.gz GUIDYZVBCCIJGQ-UHFFFAOYSA-N 0 0 474.970 4.046 50 0 JIAARN CCOc1ccc(CC(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000008608923 562947150 /nfs/dbraw/zinc/94/71/50/562947150.db2.gz QQWCYBRXCULIKS-QFIPXVFZSA-N 0 0 461.580 4.468 50 0 JIAARN COc1cc(OC)cc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000008608888 562947155 /nfs/dbraw/zinc/94/71/55/562947155.db2.gz MOOBQGOSIAIOQZ-OAQYLSRUSA-N 0 0 463.552 4.158 50 0 JIAARN CCOC(=O)c1sc(NC(=O)c2nc(SCC)ncc2Cl)c(C(=O)OCC)c1C ZINC000008612056 562947835 /nfs/dbraw/zinc/94/78/35/562947835.db2.gz QFQUBLLWQYBDDQ-UHFFFAOYSA-N 0 0 457.961 4.218 50 0 JIAARN COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000008614010 562948080 /nfs/dbraw/zinc/94/80/80/562948080.db2.gz SSYMNWSFTAJZEM-UHFFFAOYSA-N 0 0 470.934 4.130 50 0 JIAARN COc1ccc(-c2cn(-c3ccc(C)cc3)c(=O)n2CC(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000008680334 562950915 /nfs/dbraw/zinc/95/09/15/562950915.db2.gz DGPFOYXAWRJZHK-UHFFFAOYSA-N 0 0 473.529 4.279 50 0 JIAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000008680928 562951124 /nfs/dbraw/zinc/95/11/24/562951124.db2.gz QJORXKXYPKMVTJ-SANMLTNESA-N 0 0 491.569 4.388 50 0 JIAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)N2CC=C(c3ccccc3)CC2)ccc1C ZINC000008684414 562952038 /nfs/dbraw/zinc/95/20/38/562952038.db2.gz JDDOFJFMUWAPCW-HXUWFJFHSA-N 0 0 455.624 4.142 50 0 JIAARN O=S(=O)(c1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1)N1CCOCC1 ZINC000008687404 562953309 /nfs/dbraw/zinc/95/33/09/562953309.db2.gz ZXDSCOUTHNCCEH-UHFFFAOYSA-N 0 0 495.670 4.216 50 0 JIAARN O=C(CSc1nnc(Nc2ccccc2)s1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000008687808 562953510 /nfs/dbraw/zinc/95/35/10/562953510.db2.gz KSCKUBANALFATR-UHFFFAOYSA-N 0 0 489.648 4.187 50 0 aggregator JIAARN COc1ccc(-c2cc3ncnc(Oc4ccc(S(=O)(=O)N5CCOCC5)cc4)c3s2)cc1 ZINC000008705265 562954744 /nfs/dbraw/zinc/95/47/44/562954744.db2.gz YDWOOXMJPIUVKR-UHFFFAOYSA-N 0 0 483.571 4.180 50 0 JIAARN Cc1ccccc1[C@@]1(CC(=O)N2CCCC[C@H]2c2cccnc2)CC(=O)N(C2CCCC2)C1=O ZINC000011791023 562957689 /nfs/dbraw/zinc/95/76/89/562957689.db2.gz YCQCXTPNZQKIOD-RBJSKKJNSA-N 0 0 459.590 4.473 50 0 JIAARN Cc1cc(C)n(-c2cccc(C(=O)NC[C@H]3Cc4cc(Cl)cc(-c5cnccn5)c4O3)c2)n1 ZINC000012127392 562959273 /nfs/dbraw/zinc/95/92/73/562959273.db2.gz CZBFIOYBTNJKTH-OAQYLSRUSA-N 0 0 459.937 4.333 50 0 JIAARN O=C(NCC1(N2CCOCC2)CCCCC1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1 ZINC000023337646 563020093 /nfs/dbraw/zinc/02/00/93/563020093.db2.gz STEMEVFERSKMQU-UHFFFAOYSA-N 0 0 492.649 4.033 50 0 JIAARN Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1 ZINC000036370268 563127168 /nfs/dbraw/zinc/12/71/68/563127168.db2.gz MDZNWBSRMUOZDD-RDPSFJRHSA-N 0 0 455.649 4.287 50 0 JIAARN O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCN1CCN(c2ccccc2)CC1 ZINC000053057372 563204990 /nfs/dbraw/zinc/20/49/90/563204990.db2.gz SDEFLOZFNIEWNL-UHFFFAOYSA-N 0 0 451.570 4.070 50 0 JIAARN CCOCCN1CCN(c2nnc3n2-c2ccc(Cl)cc2C(c2ccccc2Cl)=NC3)CC1 ZINC000061695575 563209546 /nfs/dbraw/zinc/20/95/46/563209546.db2.gz XKJPDSSECNXSHJ-UHFFFAOYSA-N 0 0 485.419 4.084 50 0 JIAARN CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2ncc(C(=O)NCCc3ccccc3)c(O)c2c1 ZINC000006296526 569588720 /nfs/dbraw/zinc/58/87/20/569588720.db2.gz PTDKNMSZQGWQFP-UHFFFAOYSA-N 0 0 489.597 4.024 50 0 JIAARN COC(=O)c1sc2nc(CN3CCCC[C@H]3C(=O)OC)ccc2c1NC(=O)c1ccc(C)s1 ZINC000055098757 569590773 /nfs/dbraw/zinc/59/07/73/569590773.db2.gz ADRLDUNFLJUALD-INIZCTEOSA-N 0 0 487.603 4.233 50 0 JIAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc32)CN1Cc1ccccc1OC ZINC000055168513 569591009 /nfs/dbraw/zinc/59/10/09/569591009.db2.gz RAJGQYKVIZLEMZ-CUNXSJBXSA-N 0 0 495.579 4.456 50 0 JIAARN CCOc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCC(=O)Nc2cc(C)on2)cc1 ZINC000008586401 569592123 /nfs/dbraw/zinc/59/21/23/569592123.db2.gz BTEIBKPMVWZBPA-UHFFFAOYSA-N 0 0 475.530 4.293 50 0 JIAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)sc2c1CCCCC2 ZINC000008682304 569592961 /nfs/dbraw/zinc/59/29/61/569592961.db2.gz GRMABPDTNAPVJT-UHFFFAOYSA-N 0 0 478.636 4.477 50 0 JIAARN CCCCCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000057010975 569593861 /nfs/dbraw/zinc/59/38/61/569593861.db2.gz XEQYKOBRQTUGHE-UHFFFAOYSA-N 0 0 473.621 4.216 50 0 JIAARN COc1ccc([C@@H](NC(=O)CNC(=O)c2cccc(Br)c2)c2ccccc2)cc1 ZINC000008704707 569593884 /nfs/dbraw/zinc/59/38/84/569593884.db2.gz OGQRRSZBULZUJM-QFIPXVFZSA-N 0 0 453.336 4.093 50 0 JIAARN COc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3OC)CC2)cc1OC ZINC000057015892 569593923 /nfs/dbraw/zinc/59/39/23/569593923.db2.gz FFZVPUFSAAPHDX-NIYFSFCBSA-N 0 0 495.645 4.456 50 0 JIAARN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000008707028 569594651 /nfs/dbraw/zinc/59/46/51/569594651.db2.gz YORHLOYEEJKDBJ-GDBMZVCRSA-N 0 0 458.477 4.123 50 0 JIAARN COc1ccccc1NC(=O)Cc1noc(CSc2nnc(-c3ccccc3F)n2C2CC2)n1 ZINC000008708512 569595041 /nfs/dbraw/zinc/59/50/41/569595041.db2.gz HKEXKBGSFNDFSK-UHFFFAOYSA-N 0 0 480.525 4.284 50 0 JIAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000057270811 569595291 /nfs/dbraw/zinc/59/52/91/569595291.db2.gz FOTIIWDUDVVAMR-HSZRJFAPSA-N 0 0 469.541 4.048 50 0 JIAARN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)N(Cc1ccccc1)Cc1ccccc1 ZINC000008709123 569595340 /nfs/dbraw/zinc/59/53/40/569595340.db2.gz NEGCTXFXIAQJAT-UHFFFAOYSA-N 0 0 481.643 4.187 50 0 JIAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000008709119 569595381 /nfs/dbraw/zinc/59/53/81/569595381.db2.gz BMHOOBOWDUTXTA-NRFANRHFSA-N 0 0 493.526 4.335 50 0 JIAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000008710905 569595873 /nfs/dbraw/zinc/59/58/73/569595873.db2.gz FYWVHUZAVJEVDZ-LJQANCHMSA-N 0 0 450.457 4.352 50 0 JIAARN Cc1cc(NC(=O)CSc2nnc(N3CCCCC3)n2-c2ccccc2)n(-c2ccccc2)n1 ZINC000008710790 569595966 /nfs/dbraw/zinc/59/59/66/569595966.db2.gz CLAFBEGXSFTXHH-UHFFFAOYSA-N 0 0 473.606 4.483 50 0 JIAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000008710904 569595970 /nfs/dbraw/zinc/59/59/70/569595970.db2.gz FYWVHUZAVJEVDZ-IBGZPJMESA-N 0 0 450.457 4.352 50 0 JIAARN CS(=O)(=O)NC1CCN([C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000057297132 569596101 /nfs/dbraw/zinc/59/61/01/569596101.db2.gz DCOIJKMHWOHOTE-LJQANCHMSA-N 0 0 489.947 4.052 50 0 JIAARN COc1cc(C(=O)N2CCN(Cc3cccnc3)CC2)cc(Br)c1OCc1ccccc1 ZINC000057303632 569596140 /nfs/dbraw/zinc/59/61/40/569596140.db2.gz BHNBFUPOKKTEEK-UHFFFAOYSA-N 0 0 496.405 4.390 50 0 JIAARN CCCCS(=O)(=O)Nc1ccc2c(c1)c1c(n2S(=O)(=O)CCCC)CC(C)(C)CC1=O ZINC000008715862 569596525 /nfs/dbraw/zinc/59/65/25/569596525.db2.gz JCJHEXFTZSRXRA-UHFFFAOYSA-N 0 0 468.641 4.316 50 0 JIAARN COc1ccc(/C=C/C(=O)Oc2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)cc1OC ZINC000008717186 569596660 /nfs/dbraw/zinc/59/66/60/569596660.db2.gz AIVVRCRGXMHCAW-GXDHUFHOSA-N 0 0 457.482 4.161 50 0 JIAARN COc1ccc(-n2c(SCC(=O)NCCc3cccs3)nnc2-c2ccccc2OC)cc1 ZINC000008720479 569598040 /nfs/dbraw/zinc/59/80/40/569598040.db2.gz NOFVPVJYLOWONX-UHFFFAOYSA-N 0 0 480.615 4.464 50 0 JIAARN C[C@@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccncc1 ZINC000008721390 569598537 /nfs/dbraw/zinc/59/85/37/569598537.db2.gz TZYPEMNBJICWHR-LJQANCHMSA-N 0 0 475.570 4.316 50 0 JIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(CN3CCCC3)n2Cc2ccccc2)c1C ZINC000008723967 569599415 /nfs/dbraw/zinc/59/94/15/569599415.db2.gz IOAIQLLVIUYZGG-IBGZPJMESA-N 0 0 465.623 4.433 50 0 JIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2)cc1 ZINC000008724194 569599585 /nfs/dbraw/zinc/59/95/85/569599585.db2.gz IJRDHUJVGYBXGE-UHFFFAOYSA-N 0 0 450.560 4.348 50 0 JIAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1)NCc1ccc(F)cc1 ZINC000057417077 569601379 /nfs/dbraw/zinc/60/13/79/569601379.db2.gz BRYCSTDPIIADSU-UHFFFAOYSA-N 0 0 457.527 4.193 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)cc1OC ZINC000057425467 569601537 /nfs/dbraw/zinc/60/15/37/569601537.db2.gz XMOCKZNCBPQFDE-UHFFFAOYSA-N 0 0 467.572 4.254 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C ZINC000057426017 569601604 /nfs/dbraw/zinc/60/16/04/569601604.db2.gz FCGWNRDMVGXFDA-UHFFFAOYSA-N 0 0 459.593 4.412 50 0 JIAARN COc1cccc(Cn2c(SCC(=O)Nc3ccccc3OC)nc3ccsc3c2=O)c1 ZINC000057426145 569601749 /nfs/dbraw/zinc/60/17/49/569601749.db2.gz WJIXAKOLINJMQB-UHFFFAOYSA-N 0 0 467.572 4.254 50 0 JIAARN O=C(COc1c(Br)cc(Br)c2cccnc21)NCCc1ccccc1 ZINC000008735377 569601899 /nfs/dbraw/zinc/60/18/99/569601899.db2.gz ZLQDXTCJPMKXPQ-UHFFFAOYSA-N 0 0 464.157 4.498 50 0 JIAARN CN(CC(=O)Nc1cccc(Br)c1)C(=O)c1ccc2c(c1)nnn2C1CCCC1 ZINC000032983460 569606927 /nfs/dbraw/zinc/60/69/27/569606927.db2.gz FCIHOPVFOVBBOS-UHFFFAOYSA-N 0 0 456.344 4.020 50 0 JIAARN CC[C@H](NC(=O)CSc1nc2ccccc2n1CC)c1ccccc1OCC(=O)N1CCCC1 ZINC000059776962 569607650 /nfs/dbraw/zinc/60/76/50/569607650.db2.gz GQJAJVGKHXGEFF-FQEVSTJZSA-N 0 0 480.634 4.417 50 0 JIAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000060035052 569608393 /nfs/dbraw/zinc/60/83/93/569608393.db2.gz HLMIUGPOFJZXAR-QGZVFWFLSA-N 0 0 467.875 4.082 50 0 JIAARN CCC[C@@H]1CCc2nc(NC(=O)CS(=O)(=O)Cc3cccc(Br)c3)sc2C1 ZINC000060309001 569608634 /nfs/dbraw/zinc/60/86/34/569608634.db2.gz OXGHHXOXAWVQAI-CYBMUJFWSA-N 0 0 471.442 4.364 50 0 JIAARN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)Nc1ccccc1N(C)Cc1ccccc1 ZINC000060318836 569608635 /nfs/dbraw/zinc/60/86/35/569608635.db2.gz YMAGUXRBMASAPY-UHFFFAOYSA-N 0 0 453.546 4.348 50 0 JIAARN CSc1ccc(-c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)n2)cc1 ZINC000061718313 569609055 /nfs/dbraw/zinc/60/90/55/569609055.db2.gz GSBYKPBPWLUUGM-UHFFFAOYSA-N 0 0 452.967 4.126 50 0 JIAARN COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000061925458 569609356 /nfs/dbraw/zinc/60/93/56/569609356.db2.gz ASFWMRYYRLXDHH-UHFFFAOYSA-N 0 0 474.483 4.042 50 0 JIAARN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCc3ccccc3Br)s2)cc1 ZINC000032987801 569609688 /nfs/dbraw/zinc/60/96/88/569609688.db2.gz LMAQKPLTIFPLLL-UHFFFAOYSA-N 0 0 489.395 4.201 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Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(=O)NC3CCCCC3)CC2)c1C ZINC000064862153 569639599 /nfs/dbraw/zinc/63/95/99/569639599.db2.gz GVYCBIAVWRAOCA-UHFFFAOYSA-N 0 0 496.677 4.219 50 0 JIAARN COc1cc(OC)c(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1Cl ZINC000064865999 569639627 /nfs/dbraw/zinc/63/96/27/569639627.db2.gz XHQMBANJIWVZKG-UHFFFAOYSA-N 0 0 478.954 4.432 50 0 JIAARN COc1cc(NC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc(OC)c1OC ZINC000064867180 569639964 /nfs/dbraw/zinc/63/99/64/569639964.db2.gz JRUCYQQOXADASM-UHFFFAOYSA-N 0 0 488.562 4.095 50 0 JIAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)c2cc(C)c(C)cc2N1 ZINC000064869362 569640173 /nfs/dbraw/zinc/64/01/73/569640173.db2.gz MIMGAPOFLYAOOC-UHFFFAOYSA-N 0 0 459.905 4.330 50 0 JIAARN C[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1F)CC2)C(=O)NN1CCOCC1 ZINC000034667480 569640416 /nfs/dbraw/zinc/64/04/16/569640416.db2.gz TZCUYSBFKVMWRR-PIKZIKFNSA-N 0 0 489.591 4.104 50 0 JIAARN CCOC(=O)c1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(OCC)cc2)c1 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Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1 ZINC000064924679 569646271 /nfs/dbraw/zinc/64/62/71/569646271.db2.gz NAGFOBBQOSNYIB-UHFFFAOYSA-N 0 0 452.990 4.172 50 0 JIAARN CC(C)c1ccc(-n2c3ncn(Cc4ccc(F)cc4)c3c(=O)n(Cc3ccco3)c2=O)cc1 ZINC000034692711 569646625 /nfs/dbraw/zinc/64/66/25/569646625.db2.gz OLJMRCTTXOUKKX-UHFFFAOYSA-N 0 0 458.493 4.301 50 0 JIAARN Cc1ccc(Cn2c3ccccc3nc(N3CCN(C(=O)Nc4cc(F)ccc4F)CC3)c2=O)cc1 ZINC000064926341 569646750 /nfs/dbraw/zinc/64/67/50/569646750.db2.gz DYWIELMYCQELIS-UHFFFAOYSA-N 0 0 489.526 4.386 50 0 JIAARN COc1ccccc1-n1c2ncn(Cc3ccccc3Cl)c2c(=O)n(Cc2ccccc2)c1=O ZINC000034694067 569647156 /nfs/dbraw/zinc/64/71/56/569647156.db2.gz JPRMIXJYNTWXOL-UHFFFAOYSA-N 0 0 472.932 4.108 50 0 JIAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCc2ccccc2[C@H]1CC(=O)NC1CCCCCC1 ZINC000064928250 569647438 /nfs/dbraw/zinc/64/74/38/569647438.db2.gz LCRPHLDRBLXUMR-RUZDIDTESA-N 0 0 497.661 4.471 50 0 JIAARN COc1cc(NC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4ccc(C)c(Cl)c4)n3)C2)cc(OC)c1 ZINC000064928657 569647593 /nfs/dbraw/zinc/64/75/93/569647593.db2.gz JCZMTBDHRBSWNC-KRWDZBQOSA-N 0 0 482.968 4.067 50 0 JIAARN CCCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3F)c1)NC(=O)CCC2=O ZINC000065011141 569648183 /nfs/dbraw/zinc/64/81/83/569648183.db2.gz AKJIKUDTRNATCX-UHFFFAOYSA-N 0 0 484.553 4.432 50 0 JIAARN CC(C)C(=O)N1CCN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)C[C@H]1C ZINC000034700205 569648807 /nfs/dbraw/zinc/64/88/07/569648807.db2.gz JORIZTDEKQESIX-CQSZACIVSA-N 0 0 454.987 4.353 50 0 JIAARN CCCn1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C)c4C)CC3)cc2sc1=O ZINC000065022291 569648891 /nfs/dbraw/zinc/64/88/91/569648891.db2.gz CBSHCNYVBOUKBU-UHFFFAOYSA-N 0 0 487.647 4.129 50 0 JIAARN C[C@H]1CN(c2nc3ccccc3c3nnc(Cc4ccccc4)n32)CCN1C(=O)c1ccc(F)cc1 ZINC000034700465 569649028 /nfs/dbraw/zinc/64/90/28/569649028.db2.gz BQCRTRCVCPQQHC-IBGZPJMESA-N 0 0 480.547 4.358 50 0 JIAARN COc1cccc(C(=O)N2CCN(c3nc4ccccc4c4nnc(Cc5ccccc5)n43)C[C@H]2C)c1 ZINC000034700502 569649032 /nfs/dbraw/zinc/64/90/32/569649032.db2.gz GQROWCNBDSTDEU-HXUWFJFHSA-N 0 0 492.583 4.228 50 0 JIAARN C[C@H]1CN(c2nc3ccccc3c3nnc(Cc4ccccc4)n32)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034700467 569649048 /nfs/dbraw/zinc/64/90/48/569649048.db2.gz MAPSDZONDVYPQW-FQEVSTJZSA-N 0 0 494.574 4.287 50 0 JIAARN COc1cc(/C=C2/SC(=O)N(CCOc3ccccc3)C2=O)cc(I)c1O ZINC000034704554 569649408 /nfs/dbraw/zinc/64/94/08/569649408.db2.gz XYQRNXLQZAAALV-LFIBNONCSA-N 0 0 497.310 4.121 50 0 JIAARN Cc1ccccc1-c1nnc2c3ccccc3nc(N3CCN(C(=O)c4ccco4)[C@H](C)C3)n12 ZINC000034706927 569649667 /nfs/dbraw/zinc/64/96/67/569649667.db2.gz JHXJPSATIWHDOD-GOSISDBHSA-N 0 0 452.518 4.197 50 0 JIAARN CCc1cccc(C)c1NS(=O)(=O)c1cc2c(cc1C)N(Cc1noc(C3CCC3)n1)C(=O)CO2 ZINC000065022885 569649721 /nfs/dbraw/zinc/64/97/21/569649721.db2.gz ADPUTUQBXNVCLT-UHFFFAOYSA-N 0 0 496.589 4.243 50 0 JIAARN Cc1cccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)c5ccc(F)cc5)CC4)n23)c1 ZINC000034707010 569649770 /nfs/dbraw/zinc/64/97/70/569649770.db2.gz GUOXQEUSCQOLCX-UHFFFAOYSA-N 0 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Cc1cccc(CNC(=O)c2ccc(C)nc2C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000034725412 569652823 /nfs/dbraw/zinc/65/28/23/569652823.db2.gz KJDLTEVGRAYECK-UHFFFAOYSA-N 0 0 463.603 4.197 50 0 JIAARN O=C(c1ccc(F)cc1F)N1CCc2nc(N3CCCC3)nc(Oc3ccccc3F)c2C1 ZINC000034759360 569657476 /nfs/dbraw/zinc/65/74/76/569657476.db2.gz SGJASBLQBKXBAX-UHFFFAOYSA-N 0 0 454.452 4.485 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077365 569658438 /nfs/dbraw/zinc/65/84/38/569658438.db2.gz DLEDTTSRSHEFFQ-GFCCVEGCSA-N 0 0 452.985 4.274 50 0 JIAARN CSc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c1 ZINC000065077934 569658659 /nfs/dbraw/zinc/65/86/59/569658659.db2.gz WRXHOUNZYGXFDA-ZDUSSCGKSA-N 0 0 450.607 4.034 50 0 JIAARN O=C(CN1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000034787231 569659554 /nfs/dbraw/zinc/65/95/54/569659554.db2.gz ZOZICDMHCISTPB-XMMPIXPASA-N 0 0 465.644 4.132 50 0 JIAARN Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000034787780 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Cc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000067209258 569678755 /nfs/dbraw/zinc/67/87/55/569678755.db2.gz RFEJUJISSJIRGY-UHFFFAOYSA-N 0 0 451.529 4.215 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2F)cc1 ZINC000067216227 569678871 /nfs/dbraw/zinc/67/88/71/569678871.db2.gz TVSCBVQIJIORMH-UHFFFAOYSA-N 0 0 468.535 4.276 50 0 JIAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 ZINC000067216739 569679147 /nfs/dbraw/zinc/67/91/47/569679147.db2.gz XJUBTSJTBVLOLW-UHFFFAOYSA-N 0 0 485.974 4.238 50 0 JIAARN Cc1ccc(NC(=O)CN2CCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000035268980 569679185 /nfs/dbraw/zinc/67/91/85/569679185.db2.gz BTFFQLSXGVPVEO-UHFFFAOYSA-N 0 0 466.969 4.019 50 0 JIAARN Cc1cc(F)ccc1-n1c(=O)c2sccc2nc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000067217444 569679487 /nfs/dbraw/zinc/67/94/87/569679487.db2.gz WLUUQGOLEOESOW-UHFFFAOYSA-N 0 0 483.546 4.032 50 0 JIAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(Br)c3)c2=O)cc1C ZINC000067218006 569679868 /nfs/dbraw/zinc/67/98/68/569679868.db2.gz WGBYHGTYORHTTN-UHFFFAOYSA-N 0 0 484.375 4.232 50 0 JIAARN COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000035305348 569679937 /nfs/dbraw/zinc/67/99/37/569679937.db2.gz QYHBXRKBQHUVCN-DXBBTUNJSA-N 0 0 464.949 4.479 50 0 JIAARN COc1cc(OC)cc(C(=O)N(CC(=O)N2CCn3cccc3[C@H]2c2cccc(F)c2)C(C)C)c1 ZINC000035314381 569680374 /nfs/dbraw/zinc/68/03/74/569680374.db2.gz YXRWAGQUESUCRY-AREMUKBSSA-N 0 0 479.552 4.127 50 0 JIAARN CCc1ccc(NC(=O)Cn2nc3c(-c4nc(-c5ccc(Cl)cc5)no4)cccn3c2=O)cc1 ZINC000067218909 569680447 /nfs/dbraw/zinc/68/04/47/569680447.db2.gz HUKXXCZBLZVIJG-UHFFFAOYSA-N 0 0 474.908 4.068 50 0 JIAARN CCN(CC)C(=S)SCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000035361079 569682038 /nfs/dbraw/zinc/68/20/38/569682038.db2.gz WEZGTTICSWUZNC-OOFJXECYSA-N 0 0 493.735 4.149 50 0 biogenic JIAARN Cc1ccc(NC(=O)Cn2nc3c(SCc4ccc(Cl)cc4)nccn3c2=O)c(Cl)c1 ZINC000067255376 569682088 /nfs/dbraw/zinc/68/20/88/569682088.db2.gz SCXTYSMSXASTJB-UHFFFAOYSA-N 0 0 474.373 4.437 50 0 JIAARN Cc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c(Br)c1 ZINC000067255283 569682114 /nfs/dbraw/zinc/68/21/14/569682114.db2.gz ZJQYXOHMAXPHLI-UHFFFAOYSA-N 0 0 489.391 4.008 50 0 JIAARN COc1ccc(C[N@H+](C[C@@H](C)O)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC ZINC000035361948 569682265 /nfs/dbraw/zinc/68/22/65/569682265.db2.gz BEGSCXDXADKEKJ-UKDTUCQJSA-N 0 0 457.611 4.201 50 0 biogenic JIAARN CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(F)c(F)c1 ZINC000067285940 569683595 /nfs/dbraw/zinc/68/35/95/569683595.db2.gz DDLYELYWRJSSGN-DEOSSOPVSA-N 0 0 469.532 4.091 50 0 JIAARN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(Br)c1 ZINC000067286188 569683644 /nfs/dbraw/zinc/68/36/44/569683644.db2.gz ARQYSAXBFRIYLZ-QHCPKHFHSA-N 0 0 496.405 4.410 50 0 JIAARN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000035374464 569684135 /nfs/dbraw/zinc/68/41/35/569684135.db2.gz ULEDRDXPEYODTR-UODYQJQCSA-N 0 0 488.540 4.373 50 0 JIAARN CCOC(=O)C1=C(CN2CCN(c3cc(C)ccc3C)CC2)NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067287000 569684325 /nfs/dbraw/zinc/68/43/25/569684325.db2.gz AXXKDZUXZYAJIG-VWLOTQADSA-N 0 0 494.661 4.019 50 0 JIAARN Cc1c(C(=O)Nc2cc(Cl)ccc2C)nnn1CC(=O)Nc1ccc(Br)cc1F ZINC000067323263 569687381 /nfs/dbraw/zinc/68/73/81/569687381.db2.gz ZOSIXEUZBKLIAE-UHFFFAOYSA-N 0 0 480.725 4.341 50 0 JIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2)Nc1ccc2c(c1)CCC2 ZINC000067291213 569685285 /nfs/dbraw/zinc/68/52/85/569685285.db2.gz NMHCZUOFCSPVNQ-UHFFFAOYSA-N 0 0 485.565 4.393 50 0 JIAARN COc1ccccc1CN1CCc2nc(SCC(=O)Nc3ccc(C)cc3Cl)[nH]c(=O)c2C1 ZINC000067291321 569685465 /nfs/dbraw/zinc/68/54/65/569685465.db2.gz CQLYWJRHXKXTPX-UHFFFAOYSA-N 0 0 485.009 4.442 50 0 JIAARN COc1ccccc1CN1CCc2nc(SCC(=O)Nc3ccc(F)cc3Cl)[nH]c(=O)c2C1 ZINC000067291422 569685551 /nfs/dbraw/zinc/68/55/51/569685551.db2.gz ZHABIDGYYQEXRF-UHFFFAOYSA-N 0 0 488.972 4.272 50 0 JIAARN Cc1cc2nc(COc3cccc(NC(=O)c4cccc(Br)c4)c3)cc(=O)n2o1 ZINC000035378575 569685882 /nfs/dbraw/zinc/68/58/82/569685882.db2.gz JWLVZWRQXJHLMJ-UHFFFAOYSA-N 0 0 454.280 4.190 50 0 JIAARN Cc1cccc(N(C)C(=O)Cn2c3c4ccccc4oc3c(=O)n(CCc3ccccc3)c2=O)c1 ZINC000067292046 569686023 /nfs/dbraw/zinc/68/60/23/569686023.db2.gz YVFSCGXOGRHLMR-UHFFFAOYSA-N 0 0 467.525 4.124 50 0 JIAARN CCOc1ccc(NC(=O)Cn2c(=O)cc(-c3nc(-c4cccnc4)no3)c3ccccc32)cc1 ZINC000067318367 569686997 /nfs/dbraw/zinc/68/69/97/569686997.db2.gz YXTIPRHQBOMQOA-UHFFFAOYSA-N 0 0 467.485 4.151 50 0 JIAARN Cc1ccc([C@H](C)NC(=O)Cn2c(=O)cc(-c3nc(-c4ccccn4)no3)c3ccccc32)cc1 ZINC000067318646 569687116 /nfs/dbraw/zinc/68/71/16/569687116.db2.gz PBIGHUVIPWDXTR-SFHVURJKSA-N 0 0 465.513 4.299 50 0 JIAARN CCOc1ccc(OCC)c(NC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)c1 ZINC000067334512 569687560 /nfs/dbraw/zinc/68/75/60/569687560.db2.gz TUDYDKBKDKLQGU-UHFFFAOYSA-N 0 0 464.522 4.155 50 0 JIAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCC1 ZINC000035398913 569689279 /nfs/dbraw/zinc/68/92/79/569689279.db2.gz FJPJRBJNRSEBBW-UHFFFAOYSA-N 0 0 490.025 4.131 50 0 JIAARN O=C(Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21)Nc1ccc(Cl)cc1F ZINC000067689460 569689472 /nfs/dbraw/zinc/68/94/72/569689472.db2.gz XJGCRRWVEIMSSZ-UHFFFAOYSA-N 0 0 472.303 4.296 50 0 JIAARN CCOc1ccc(NC(=O)Cn2c3ccccc3c3ncn(Cc4ccc(OC)cc4)c(=O)c32)cc1 ZINC000035399701 569690030 /nfs/dbraw/zinc/69/00/30/569690030.db2.gz LIAUURQEHUQZIP-UHFFFAOYSA-N 0 0 482.540 4.446 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)cc1OC ZINC000067689764 569690290 /nfs/dbraw/zinc/69/02/90/569690290.db2.gz MXCARLSDVOSUFY-UHFFFAOYSA-N 0 0 485.562 4.393 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2OC)c(OC)c1 ZINC000067689802 569690361 /nfs/dbraw/zinc/69/03/61/569690361.db2.gz CGXLHCKWLCLLMA-UHFFFAOYSA-N 0 0 497.598 4.263 50 0 JIAARN COc1ccc(Cn2c(SCC(=O)Nc3ccc(C(C)=O)cc3)nc3ccsc3c2=O)cc1 ZINC000067689872 569690500 /nfs/dbraw/zinc/69/05/00/569690500.db2.gz MYPJGKLZRXPCLQ-UHFFFAOYSA-N 0 0 479.583 4.448 50 0 JIAARN COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccc(C)c(C)c3)c2=O)cc1Cl ZINC000067694993 569690904 /nfs/dbraw/zinc/69/09/04/569690904.db2.gz AFATVZAAPAAIGQ-UHFFFAOYSA-N 0 0 483.977 4.191 50 0 JIAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)cn2)cc1C ZINC000035403569 569691300 /nfs/dbraw/zinc/69/13/00/569691300.db2.gz PMOXKHMLTOZWSN-UHFFFAOYSA-N 0 0 473.596 4.066 50 0 JIAARN COc1ccccc1C(=O)C[C@@]1(O)c2ccccc2N(CCOc2ccc(Cl)cc2)C1=O ZINC000068713259 569691797 /nfs/dbraw/zinc/69/17/97/569691797.db2.gz IJASZPOTSQUGHL-RUZDIDTESA-N 0 0 451.906 4.235 50 0 JIAARN O=C(NCCNc1cnn(-c2ccc(F)cc2F)c(=O)c1Cl)c1ccc(C(F)(F)F)cc1 ZINC000068716959 569691800 /nfs/dbraw/zinc/69/18/00/569691800.db2.gz HFYNTYAEEIFEKT-UHFFFAOYSA-N 0 0 472.801 4.025 50 0 JIAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCc1c(C)[nH]c2ccccc21 ZINC000069415176 569692899 /nfs/dbraw/zinc/69/28/99/569692899.db2.gz BNLZBWNMCXHTIO-UHFFFAOYSA-N 0 0 467.525 4.254 50 0 JIAARN Cc1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)Nc4ccc(F)cc4F)nc23)cc1 ZINC000035424791 569693209 /nfs/dbraw/zinc/69/32/09/569693209.db2.gz KAUZDDKPRPCZQQ-UHFFFAOYSA-N 0 0 461.428 4.062 50 0 JIAARN Cc1ccc(NC(=O)NC2(c3ccc(Br)cc3)CCC2)c(OCC(=O)N(C)C)c1 ZINC000069535978 569693309 /nfs/dbraw/zinc/69/33/09/569693309.db2.gz RIDCZDLVKNBECF-UHFFFAOYSA-N 0 0 460.372 4.425 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)Cn2nc3c(Oc4cccc(C)c4C)nc4ccccc4n3c2=O)cc1 ZINC000035425277 569693457 /nfs/dbraw/zinc/69/34/57/569693457.db2.gz NNTFEVDFWMTETG-UHFFFAOYSA-N 0 0 496.527 4.050 50 0 JIAARN Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)n1 ZINC000069623293 569693477 /nfs/dbraw/zinc/69/34/77/569693477.db2.gz XZPVFUXHEPCUBA-UHFFFAOYSA-N 0 0 471.414 4.445 50 0 JIAARN CC(C)c1ccc(NC(=O)CN2c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3CCC2=O)cc1 ZINC000035428946 569694858 /nfs/dbraw/zinc/69/48/58/569694858.db2.gz KUJZVVRTWNCTOX-IBGZPJMESA-N 0 0 483.634 4.291 50 0 JIAARN CC(C)(C)c1ccc(C2=NC3(CCN(CC(=O)Nc4ccc(Br)cc4)CC3)NC2=O)cc1 ZINC000035430761 569695184 /nfs/dbraw/zinc/69/51/84/569695184.db2.gz SFXZGWYMDKYSNC-UHFFFAOYSA-N 0 0 497.437 4.096 50 0 JIAARN COc1ccc(Cn2cc(C(=O)NCc3ccc(OC)c(OC)c3)c3ccccc3c2=O)cc1 ZINC000070666492 569695569 /nfs/dbraw/zinc/69/55/69/569695569.db2.gz BVIPTIQEYLFKHX-UHFFFAOYSA-N 0 0 458.514 4.006 50 0 biogenic JIAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(=O)n(-c3ccc(Br)cc3)ccn12 ZINC000035447942 569696320 /nfs/dbraw/zinc/69/63/20/569696320.db2.gz LDQYFLBCHXNPOA-UHFFFAOYSA-N 0 0 494.374 4.407 50 0 JIAARN COc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)Nc1cccc(SC)c1)c(C)n2C ZINC000035448385 569696395 /nfs/dbraw/zinc/69/63/95/569696395.db2.gz KFGGMIBFYPBPOV-UHFFFAOYSA-N 0 0 462.575 4.310 50 0 JIAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)c3ccc(Br)cc3)cc(=O)n2o1 ZINC000035448134 569696408 /nfs/dbraw/zinc/69/64/08/569696408.db2.gz YSXGDQWLKFUEQP-UHFFFAOYSA-N 0 0 468.307 4.498 50 0 JIAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(Br)c(C)c3)c2C)cc1Cl ZINC000071327226 569696547 /nfs/dbraw/zinc/69/65/47/569696547.db2.gz VBRUZDKFYFZVKQ-UHFFFAOYSA-N 0 0 492.761 4.210 50 0 JIAARN O=c1c2sccc2n(Cc2ccc(Br)cc2F)c(=O)n1CCc1ccccc1 ZINC000071327796 569696658 /nfs/dbraw/zinc/69/66/58/569696658.db2.gz YPDVLCVVEVDNKV-UHFFFAOYSA-N 0 0 459.340 4.417 50 0 JIAARN O=C(CSc1ncc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(O)n1)Nc1ccccc1 ZINC000071765044 569697322 /nfs/dbraw/zinc/69/73/22/569697322.db2.gz LEQMUMGINOHELP-UHFFFAOYSA-N 0 0 470.359 4.053 50 0 JIAARN CC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)c3)c2)n1 ZINC000071768243 569697460 /nfs/dbraw/zinc/69/74/60/569697460.db2.gz QXIRISGGEXRQDS-UHFFFAOYSA-N 0 0 491.983 4.231 50 0 JIAARN COc1ccc([C@H](C)NC(=O)c2cn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)cn2)cc1OC ZINC000071768408 569697599 /nfs/dbraw/zinc/69/75/99/569697599.db2.gz KXZDAHDBNFLYCV-HNNXBMFYSA-N 0 0 476.537 4.123 50 0 JIAARN COc1ccc([C@@H](C)NC(=O)c2cn(-c3ncccc3-c3nc(C(C)(C)C)no3)cn2)cc1OC ZINC000071768622 569697610 /nfs/dbraw/zinc/69/76/10/569697610.db2.gz LRGHIMMTJDANAZ-OAHLLOKOSA-N 0 0 476.537 4.123 50 0 JIAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C[C@@H](C(=O)Nc3ccccc3)[C@@H]2CO)cc1OC ZINC000071769192 569697688 /nfs/dbraw/zinc/69/76/88/569697688.db2.gz KALSSOWIIRDFPQ-UMTXDNHDSA-N 0 0 477.557 4.272 50 0 JIAARN CC(=O)OCCC[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)[C@@]4(O)C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000071770811 569697739 /nfs/dbraw/zinc/69/77/39/569697739.db2.gz IXVIMBALVFGAKY-ADIHXHHJSA-N 0 0 464.643 4.396 50 0 JIAARN O=C(CC1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1)NCc1cccnc1 ZINC000035512522 569698589 /nfs/dbraw/zinc/69/85/89/569698589.db2.gz DFDIWJHRVZPQMN-UHFFFAOYSA-N 0 0 454.530 4.449 50 0 JIAARN O=C(Cn1c(=O)onc1-c1cccs1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000071826654 569698805 /nfs/dbraw/zinc/69/88/05/569698805.db2.gz HLZUOUQEIGAEFG-MRXNPFEDSA-N 0 0 454.895 4.189 50 0 JIAARN COc1cc(NC(=O)CCc2nnc(-c3ccc(C)cc3)o2)ccc1NC(=O)c1cccnc1 ZINC000071843079 569698917 /nfs/dbraw/zinc/69/89/17/569698917.db2.gz NJBPEONZKVVLTA-UHFFFAOYSA-N 0 0 457.490 4.272 50 0 JIAARN Cc1nnc(SCc2c3ccccc3oc2C(=O)Nc2ccnn2C[C@H]2CCOC2)s1 ZINC000071849959 569699021 /nfs/dbraw/zinc/69/90/21/569699021.db2.gz SVPYGUBRRINSKL-CQSZACIVSA-N 0 0 455.565 4.370 50 0 JIAARN CCOc1ccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2cccc(OC)c2)cc1 ZINC000035527386 569699193 /nfs/dbraw/zinc/69/91/93/569699193.db2.gz ZTLVRPJOHSPQIY-MUUNZHRXSA-N 0 0 458.558 4.368 50 0 JIAARN CCOc1cccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2OC)c1 ZINC000035527375 569699238 /nfs/dbraw/zinc/69/92/38/569699238.db2.gz HBNVTFMSZPPADN-NDEPHWFRSA-N 0 0 458.558 4.368 50 0 JIAARN CC(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000035527814 569699453 /nfs/dbraw/zinc/69/94/53/569699453.db2.gz BFIGCEAKSKZWGZ-FQEVSTJZSA-N 0 0 454.552 4.247 50 0 JIAARN Cc1cccc(-c2noc(-c3cccnc3N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)n2)c1 ZINC000035528052 569699542 /nfs/dbraw/zinc/69/95/42/569699542.db2.gz RPJKOGJJXPBGAU-UHFFFAOYSA-N 0 0 497.555 4.369 50 0 JIAARN CC(C)CCn1c2nnc(SCC(=O)NCc3ccccc3Cl)n2c2ccsc2c1=O ZINC000035531613 569700358 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/nfs/dbraw/zinc/72/46/75/569724675.db2.gz XQAJDNZPJDELPV-BZHJVPMPSA-N 0 0 495.623 4.463 50 0 JIAARN Cc1cccc(Cl)c1NC(=O)CCc1nc(CSc2nnc(-c3ccncc3)o2)no1 ZINC000095481965 569724859 /nfs/dbraw/zinc/72/48/59/569724859.db2.gz FJKAAOIMKRLRBL-UHFFFAOYSA-N 0 0 456.915 4.340 50 0 JIAARN C[C@H]1Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CN(Cc2cc(F)cc(F)c2)C1=O ZINC000035910017 569725212 /nfs/dbraw/zinc/72/52/12/569725212.db2.gz XUFNXSSKAFOGMB-CQSZACIVSA-N 0 0 476.476 4.214 50 0 JIAARN CC(=O)N1CCN(C(=O)Cn2c3cc(Cl)c(Cl)cc3nc2Cc2ccccc2Cl)CC1 ZINC000095536242 569725764 /nfs/dbraw/zinc/72/57/64/569725764.db2.gz KUCFATXOJJXLBE-UHFFFAOYSA-N 0 0 479.795 4.278 50 0 JIAARN CCCN(CCC(=O)N1CCN(CC)CC1)c1nc(CC)nc2c(Cl)cc(Cl)cc21 ZINC000095537716 569725985 /nfs/dbraw/zinc/72/59/85/569725985.db2.gz XPPHQMJILWJUSE-UHFFFAOYSA-N 0 0 452.430 4.270 50 0 JIAARN COC(=O)COc1cccn2c(=O)c(-c3cc(C)n(-c4ccc(Cl)c(Cl)c4)n3)c(C)nc12 ZINC000035911415 569726651 /nfs/dbraw/zinc/72/66/51/569726651.db2.gz CYXUQIKWTUPPQK-UHFFFAOYSA-N 0 0 473.316 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Cc1cc(-c2c(C)nc3scc(CC(=O)NC4CC4)n3c2=O)nn1-c1ccc(C(C)C)cc1 ZINC000035911935 569727062 /nfs/dbraw/zinc/72/70/62/569727062.db2.gz NDXDCOFOLOICET-UHFFFAOYSA-N 0 0 461.591 4.170 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCCN(C(=O)c4ccco4)CC3)c12 ZINC000035912696 569727769 /nfs/dbraw/zinc/72/77/69/569727769.db2.gz YMVKNTRXEHXVJJ-UHFFFAOYSA-N 0 0 458.566 4.268 50 0 JIAARN COCC(=O)N1CCN(Cc2c(-c3cccc(OC)c3)nc3ccc(-c4cccc(C)c4)cn32)CC1 ZINC000095597811 569727907 /nfs/dbraw/zinc/72/79/07/569727907.db2.gz CENUJRJDGLMIAY-UHFFFAOYSA-N 0 0 484.600 4.276 50 0 JIAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OCC)c(OC)c5)no4)ccn3n2)cc1 ZINC000095609082 569727990 /nfs/dbraw/zinc/72/79/90/569727990.db2.gz LZBASFDSGFHEMC-UHFFFAOYSA-N 0 0 487.516 4.067 50 0 JIAARN CCCCc1ccc(NC(=O)Cn2nc3c4cc(-c5cc(C)ccc5C)nn4ccn3c2=O)cc1 ZINC000095609192 569728102 /nfs/dbraw/zinc/72/81/02/569728102.db2.gz YIDMWLBLJJHMGE-UHFFFAOYSA-N 0 0 468.561 4.409 50 0 JIAARN CC[C@@H](C)NC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cc(F)ccc4C)n3)c(=O)n12 ZINC000035924717 569728141 /nfs/dbraw/zinc/72/81/41/569728141.db2.gz FUFVKVKCZYKEEE-CQSZACIVSA-N 0 0 467.570 4.130 50 0 JIAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccccc3OC)C2)c(OC)c1 ZINC000095945128 569730686 /nfs/dbraw/zinc/73/06/86/569730686.db2.gz WAHLESZNXJIRCI-JOCHJYFZSA-N 0 0 452.532 4.252 50 0 JIAARN CCC(=O)N1CCCN(c2nc(Cc3ccc(C)cc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035927783 569730752 /nfs/dbraw/zinc/73/07/52/569730752.db2.gz OJCTVXQYQAATEX-UHFFFAOYSA-N 0 0 454.578 4.163 50 0 JIAARN CC(C)(C)c1nc2cc(NC(=O)c3cccc(NS(=O)(=O)c4ccc5n[nH]nc5c4)c3)ccc2o1 ZINC000095963751 569731741 /nfs/dbraw/zinc/73/17/41/569731741.db2.gz GLJGFOZLAMUUAC-UHFFFAOYSA-N 0 0 490.545 4.450 50 0 JIAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000035945049 569732402 /nfs/dbraw/zinc/73/24/02/569732402.db2.gz YJSKGYQKSMZHNI-QFIPXVFZSA-N 0 0 491.629 4.246 50 0 JIAARN 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COc1ccc(OC)c([C@@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)c1 ZINC000035948623 569735544 /nfs/dbraw/zinc/73/55/44/569735544.db2.gz KJBYCSVMJZMEOQ-IBGZPJMESA-N 0 0 457.596 4.338 50 0 JIAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)NC(C)C)c1 ZINC000035949009 569735727 /nfs/dbraw/zinc/73/57/27/569735727.db2.gz ZSTZBQNEBVZPPD-OAQYLSRUSA-N 0 0 472.973 4.085 50 0 JIAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccccc2OCc2ccccn2)CCO1 ZINC000096117635 569735785 /nfs/dbraw/zinc/73/57/85/569735785.db2.gz FMTLGGBNNKIBGJ-HTAPYJJXSA-N 0 0 480.590 4.468 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000035960431 569736363 /nfs/dbraw/zinc/73/63/63/569736363.db2.gz ISKMXVIUQKOQDX-QHCPKHFHSA-N 0 0 451.567 4.276 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000035960388 569736395 /nfs/dbraw/zinc/73/63/95/569736395.db2.gz UPHJVLNSUXCJHO-XMMPIXPASA-N 0 0 463.578 4.339 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1)C(=O)NC(C)C ZINC000035960673 569736484 /nfs/dbraw/zinc/73/64/84/569736484.db2.gz LUYAJVULKMIAMY-QHCPKHFHSA-N 0 0 487.000 4.093 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(Cl)cc1)C(=O)NC(C)C ZINC000035961186 569736880 /nfs/dbraw/zinc/73/68/80/569736880.db2.gz HGUDSCKPASMHBM-QFIPXVFZSA-N 0 0 474.964 4.223 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1)C(=O)C1CCCC1 ZINC000035961584 569737102 /nfs/dbraw/zinc/73/71/02/569737102.db2.gz UMRPFIUUCXAOOJ-NRFANRHFSA-N 0 0 457.571 4.230 50 0 JIAARN COc1ccc([C@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)cc1 ZINC000035961986 569737330 /nfs/dbraw/zinc/73/73/30/569737330.db2.gz MVYMPHXKTKIQQH-RUZDIDTESA-N 0 0 475.520 4.293 50 0 JIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000035962311 569737558 /nfs/dbraw/zinc/73/75/58/569737558.db2.gz YGBABJJBWBGLPU-XMMPIXPASA-N 0 0 463.484 4.423 50 0 JIAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)C(C)C)C(C)C)cc3)CC2)c1 ZINC000096210744 569738117 /nfs/dbraw/zinc/73/81/17/569738117.db2.gz VXYTWQQYARXLEF-UHFFFAOYSA-N 0 0 479.625 4.181 50 0 JIAARN CCOC(=O)C(C/C=C1/c2ccccc2CSc2ccccc21)(NC(C)=O)C(=O)OCC ZINC000096581097 569741836 /nfs/dbraw/zinc/74/18/36/569741836.db2.gz UHEGMGWFEUZMJJ-ZHZULCJRSA-N 0 0 453.560 4.115 50 0 JIAARN CC1CCC2(CC1)OC[C@@H](C(=O)NC[C@@H]1CCCO1)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000035981568 569742712 /nfs/dbraw/zinc/74/27/12/569742712.db2.gz GKNWEBBQIVPVCG-IYXTZDNXSA-N 0 0 455.382 4.036 50 0 JIAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)N[C@H](C)c2ccccc2)COC12CCN(C(=O)CC(C)C)CC2 ZINC000035987392 569743412 /nfs/dbraw/zinc/74/34/12/569743412.db2.gz OJGGUVRGCQHLAR-RCZVLFRGSA-N 0 0 491.632 4.078 50 0 JIAARN CCOC(=O)C1CCN(C(=O)c2cnc(-c3ccc(OC)cc3)nc2Oc2ccc(OC)cc2)CC1 ZINC000035988164 569743656 /nfs/dbraw/zinc/74/36/56/569743656.db2.gz CGPNGFPOOSMZRE-UHFFFAOYSA-N 0 0 491.544 4.368 50 0 JIAARN COc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)NCc3ccccc3)no2)cc1 ZINC000035989294 569743889 /nfs/dbraw/zinc/74/38/89/569743889.db2.gz FPGYUGQNTJTLQQ-HSZRJFAPSA-N 0 0 455.514 4.008 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)CN(C(=O)c2ccc(C(F)(F)F)cc2)C2CC2)c(C)n1C ZINC000035992592 569745031 /nfs/dbraw/zinc/74/50/31/569745031.db2.gz KMPJAYOHSAKHBP-UHFFFAOYSA-N 0 0 450.457 4.325 50 0 JIAARN CC(C)C(=O)Nc1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000036001228 569745824 /nfs/dbraw/zinc/74/58/24/569745824.db2.gz ZGCYTSDETZXTPD-UHFFFAOYSA-N 0 0 493.652 4.183 50 0 JIAARN O=C(NCCNc1nc(C2CC2)nc2c1cnn2-c1cccc(Cl)c1)c1cccc(F)c1 ZINC000036003041 569746351 /nfs/dbraw/zinc/74/63/51/569746351.db2.gz RLQFRZQCGHWQCQ-UHFFFAOYSA-N 0 0 450.905 4.327 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)C2CCCC2)ccc1N1CCCN(C(=O)NC(C)(C)C)CC1 ZINC000036005919 569747279 /nfs/dbraw/zinc/74/72/79/569747279.db2.gz RLFAACIOHGTZNT-UHFFFAOYSA-N 0 0 485.673 4.318 50 0 JIAARN COc1cccc(C(=O)NC2CCC(Nc3nc(C)nc4c3cnn4-c3ccc(F)cc3)CC2)c1 ZINC000036006202 569747374 /nfs/dbraw/zinc/74/73/74/569747374.db2.gz JWEBFGVPWCWEEY-UHFFFAOYSA-N 0 0 474.540 4.425 50 0 JIAARN COc1ccc(-n2ncc3c2nc(C)nc3NC2CCC(NC(=O)c3ccccc3)CC2)cc1 ZINC000036006190 569747411 /nfs/dbraw/zinc/74/74/11/569747411.db2.gz HZBVHXOPOXIXBF-UHFFFAOYSA-N 0 0 456.550 4.286 50 0 JIAARN O=C(c1ccccc1Cl)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000036006042 569747415 /nfs/dbraw/zinc/74/74/15/569747415.db2.gz ZATNFKROSIBMIL-UHFFFAOYSA-N 0 0 476.943 4.448 50 0 JIAARN O=C(c1ccccc1F)N1CCCN(c2nc(C3CC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000036006232 569747510 /nfs/dbraw/zinc/74/75/10/569747510.db2.gz XPQLXIXTUODTDF-UHFFFAOYSA-N 0 0 456.525 4.185 50 0 JIAARN COc1ccc(NC(=O)[C@@H](C)n2c3ccccc3c(=O)n(-c3ccc(C)c(Cl)c3)c2=O)cc1OC ZINC000036008652 569748009 /nfs/dbraw/zinc/74/80/09/569748009.db2.gz MKJCUIVILVIRRO-MRXNPFEDSA-N 0 0 493.947 4.331 50 0 JIAARN Cc1ccc(C(=O)N2CCC3(CC2)N[C@@H](Cc2ccccc2)C(=O)N3Cc2ccc(F)cc2)cc1 ZINC000036014081 569748932 /nfs/dbraw/zinc/74/89/32/569748932.db2.gz BYPYOEBUCBHDJZ-SANMLTNESA-N 0 0 471.576 4.310 50 0 JIAARN Cc1nn(-c2ccc(C)cc2)c2nc(C3CC3)nc(NCCNS(=O)(=O)c3ccc(C)cc3)c12 ZINC000036016710 569749320 /nfs/dbraw/zinc/74/93/20/569749320.db2.gz UZGGVNQKKAYGCM-UHFFFAOYSA-N 0 0 476.606 4.009 50 0 JIAARN CC(C)(C)NC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)N2CCCCC2)CC1 ZINC000036019571 569749937 /nfs/dbraw/zinc/74/99/37/569749937.db2.gz BCOQDETZCZJLTO-UHFFFAOYSA-N 0 0 491.636 4.195 50 0 JIAARN CCC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)c(C(=O)N2CCCCC2)c1 ZINC000036019600 569749947 /nfs/dbraw/zinc/74/99/47/569749947.db2.gz ZAYLJHVKKNOOJJ-UHFFFAOYSA-N 0 0 481.572 4.154 50 0 JIAARN CC(C)C(=O)Nc1ccc(N2CCCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCCCC2)c1 ZINC000036019463 569749954 /nfs/dbraw/zinc/74/99/54/569749954.db2.gz KZFJWOQPDARHCM-UHFFFAOYSA-N 0 0 494.611 4.399 50 0 JIAARN CC(C)NC(=O)N1CCCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)N2CCCCC2)CC1 ZINC000036019629 569749967 /nfs/dbraw/zinc/74/99/67/569749967.db2.gz 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/nfs/dbraw/zinc/15/39/73/195153973.db2.gz OXEZJGUGAXGRQL-IBGZPJMESA-N 0 0 455.624 4.433 50 0 JIAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000012851633 195155055 /nfs/dbraw/zinc/15/50/55/195155055.db2.gz UDWNZOLJVFKYNL-UHFFFAOYSA-N 0 0 486.977 4.209 50 0 JIAARN COc1cc(/C=C/C(=O)OCC[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1O ZINC000012854815 195156749 /nfs/dbraw/zinc/15/67/49/195156749.db2.gz PKEHZAPDTRGBGE-SQJKWEIFSA-N 0 0 481.570 4.376 50 0 JIAARN Cc1cc(=O)c(C(=O)N(C)CCOc2ccc(Br)cc2)nn1-c1ccccc1Cl ZINC000012855554 195157397 /nfs/dbraw/zinc/15/73/97/195157397.db2.gz GNSAQIMURLBNKC-UHFFFAOYSA-N 0 0 476.758 4.108 50 0 JIAARN CCCCOc1ccc(NC(=O)CS(=O)(=O)CC(=O)Nc2ccc(OCCCC)cc2)cc1 ZINC000012858989 195158883 /nfs/dbraw/zinc/15/88/83/195158883.db2.gz PUERFAYZCQGHKD-UHFFFAOYSA-N 0 0 476.595 4.036 50 0 JIAARN C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012873333 195164614 /nfs/dbraw/zinc/16/46/14/195164614.db2.gz 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SLZFGRMUYPZEOH-QMTYFTJSSA-N 0 0 473.485 4.002 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC2)cc1 ZINC000012901335 195177541 /nfs/dbraw/zinc/17/75/41/195177541.db2.gz OQGAQWBYQABERH-UHFFFAOYSA-N 0 0 468.579 4.317 50 0 JIAARN Cc1ccc(-c2ccsc2C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000012904622 195178760 /nfs/dbraw/zinc/17/87/60/195178760.db2.gz MZENTJGHIAKWAT-UHFFFAOYSA-N 0 0 462.543 4.148 50 0 JIAARN Cc1sc2ncn(NC(=O)CCc3nc(-c4ccc(F)cc4)no3)c(=O)c2c1-c1ccccc1 ZINC000012905508 195179516 /nfs/dbraw/zinc/17/95/16/195179516.db2.gz CRACZIAAUYMQPA-UHFFFAOYSA-N 0 0 475.505 4.325 50 0 JIAARN COc1cc(CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)ccc1OC(F)F ZINC000012905479 195179524 /nfs/dbraw/zinc/17/95/24/195179524.db2.gz NGCMIXRHPSJNRK-IBGZPJMESA-N 0 0 455.255 4.026 50 0 JIAARN O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000020604871 195180534 /nfs/dbraw/zinc/18/05/34/195180534.db2.gz YCYDSEXXAUFYFI-UHFFFAOYSA-N 0 0 461.359 4.186 50 0 JIAARN CC[C@H](C(=O)Nc1nn(Cc2cn(CC)nc2C)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607643 195181754 /nfs/dbraw/zinc/18/17/54/195181754.db2.gz RNUBLBBLCNKEKP-MRXNPFEDSA-N 0 0 483.926 4.403 50 0 JIAARN Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCN(Cc4c(F)cccc4Cl)CC3)sc21 ZINC000020616173 195187880 /nfs/dbraw/zinc/18/78/80/195187880.db2.gz CWMSYRVVVQWPCG-UHFFFAOYSA-N 0 0 460.884 4.404 50 0 JIAARN Cc1cc(C(F)(F)F)nn1C[C@@H](C)CNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000020617053 195188770 /nfs/dbraw/zinc/18/87/70/195188770.db2.gz OYDYYBGVGGZBRV-QMMMGPOBSA-N 0 0 453.412 4.243 50 0 JIAARN COc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(F)cc2F)c(OC)c1 ZINC000020617098 195188927 /nfs/dbraw/zinc/18/89/27/195188927.db2.gz XOXFGVVFNFAJCC-JVCXMKTPSA-N 0 0 481.455 4.409 50 0 JIAARN O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000020676117 195200776 /nfs/dbraw/zinc/20/07/76/195200776.db2.gz HCOZEZHQHLASNJ-AREMUKBSSA-N 0 0 456.546 4.085 50 0 JIAARN Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CN2CCN(C(=O)c4ccccc4)CC2)n3C)c1 ZINC000020677104 195201864 /nfs/dbraw/zinc/20/18/64/195201864.db2.gz JEDJQGMXRYKSRX-UHFFFAOYSA-N 0 0 467.573 4.092 50 0 JIAARN Cc1ccc(CN2c3cc(C(=O)NCCN4CCOCC4)ccc3Sc3ccccc3C2=O)cc1 ZINC000020680624 195204133 /nfs/dbraw/zinc/20/41/33/195204133.db2.gz AOAPLDDLTWXYIJ-UHFFFAOYSA-N 0 0 487.625 4.369 50 0 JIAARN COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1 ZINC000020720972 195206704 /nfs/dbraw/zinc/20/67/04/195206704.db2.gz QGUMUQNBOZNOEG-LJQANCHMSA-N 0 0 455.312 4.138 50 0 JIAARN COc1ccc(CCNC(=O)c2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)cc1OC ZINC000020733843 195211720 /nfs/dbraw/zinc/21/17/20/195211720.db2.gz UASSIPXYUYZXJZ-UHFFFAOYSA-N 0 0 488.584 4.363 50 0 JIAARN Cc1cc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2cccc(C(F)(F)F)c2)no1 ZINC000020856771 195231911 /nfs/dbraw/zinc/23/19/11/195231911.db2.gz KEMTWJIPBKZWOO-UHFFFAOYSA-N 0 0 476.484 4.243 50 0 JIAARN CCC(=O)N(C(=O)CC)c1c(S(=O)(=O)c2ccccc2)c(SC)nn1Cc1ccccc1C ZINC000020849175 195230825 /nfs/dbraw/zinc/23/08/25/195230825.db2.gz MVAIRSPKMZJCLS-UHFFFAOYSA-N 0 0 485.631 4.474 50 0 JIAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1Cl ZINC000020737365 195213625 /nfs/dbraw/zinc/21/36/25/195213625.db2.gz AGLWBCJJODQCJI-GHTZIAJQSA-N 0 0 473.360 4.158 50 0 JIAARN COc1ccc(OC)c(C=C2CCCC3C2=Nc2nnnn2[C@@H]3c2cc(OC)ccc2OC)c1 ZINC000020754642 195215409 /nfs/dbraw/zinc/21/54/09/195215409.db2.gz GKKDSZHAOULQGF-ZHSJKAEUSA-N 0 0 461.522 4.244 50 0 JIAARN Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)N(Cc1ccco1)C1CCCC1 ZINC000020893907 195238692 /nfs/dbraw/zinc/23/86/92/195238692.db2.gz XIJLYECETQXAEF-UHFFFAOYSA-N 0 0 467.591 4.351 50 0 JIAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Cl)c1OCCOc1cccc(C)c1 ZINC000020895401 195239338 /nfs/dbraw/zinc/23/93/38/195239338.db2.gz MHPANHOCWOCIFK-NRFANRHFSA-N 0 0 477.970 4.116 50 0 JIAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Br)c1OCc1ccccc1F ZINC000020895524 195239454 /nfs/dbraw/zinc/23/94/54/195239454.db2.gz MOBUPSIYXMYHIC-IBGZPJMESA-N 0 0 496.358 4.177 50 0 JIAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Br)c1OCc1ccccc1 ZINC000020895499 195239566 /nfs/dbraw/zinc/23/95/66/195239566.db2.gz BCJOBHNSNFBNPE-LJQANCHMSA-N 0 0 478.368 4.038 50 0 JIAARN COc1ccc(OC)c(NC(=O)CSc2cn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c3ccccc23)c1 ZINC000020922845 195248390 /nfs/dbraw/zinc/24/83/90/195248390.db2.gz BCBMZEVLYCGSTQ-HDICACEKSA-N 0 0 497.617 4.025 50 0 JIAARN CCc1nn2c(nc(COc3cccc(NC(=O)CSc4ccc(C)cc4)c3)cc2=O)s1 ZINC000020859227 195232679 /nfs/dbraw/zinc/23/26/79/195232679.db2.gz KSEJOFNDPWRZJZ-UHFFFAOYSA-N 0 0 466.588 4.332 50 0 JIAARN CCOc1ccc2oc(=O)cc(CN3CCN(C(=O)CC45CC6CC(CC(C6)C4)C5)CC3)c2c1 ZINC000020869414 195235347 /nfs/dbraw/zinc/23/53/47/195235347.db2.gz XBCKKROCDHFWJR-UHFFFAOYSA-N 0 0 464.606 4.442 50 0 JIAARN CCCn1c(CN2CCN(C(=O)OCC)CC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000020893381 195238154 /nfs/dbraw/zinc/23/81/54/195238154.db2.gz OMZIYGUANYDPAI-UHFFFAOYSA-N 0 0 463.582 4.281 50 0 JIAARN CC[C@@H](C(=O)NCCc1ccccc1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937734 195253775 /nfs/dbraw/zinc/25/37/75/195253775.db2.gz CBVXJTJCFQSZJR-QHCPKHFHSA-N 0 0 453.608 4.126 50 0 JIAARN Cc1ccc(C)c(C(=O)CSc2nc3cc(C(=O)NC(C)C)ccc3c(=O)n2C[C@H]2CCCO2)c1 ZINC000020945922 195256666 /nfs/dbraw/zinc/25/66/66/195256666.db2.gz IEOHKPHLNICXSR-HXUWFJFHSA-N 0 0 493.629 4.306 50 0 JIAARN CCc1nn2c(nc(CSc3ccccc3NC(=O)c3ccc(OC)cc3)cc2=O)s1 ZINC000020983000 195259386 /nfs/dbraw/zinc/25/93/86/195259386.db2.gz RPXSXAXKCLRUGV-UHFFFAOYSA-N 0 0 452.561 4.267 50 0 JIAARN CCOC(=O)C[C@@H]1c2cc(OCC)c(OCC)cc2CCN1CC(=O)Nc1ccccc1C ZINC000020932552 195251675 /nfs/dbraw/zinc/25/16/75/195251675.db2.gz BPMHCAIRYSLERO-JOCHJYFZSA-N 0 0 454.567 4.284 50 0 JIAARN CCOC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc2oc(C(=O)OCC)c(C)c2c1 ZINC000020932762 195251787 /nfs/dbraw/zinc/25/17/87/195251787.db2.gz BCRAXYDSWRQUGS-OAQYLSRUSA-N 0 0 485.558 4.159 50 0 JIAARN CCOc1cc(CNC(=O)Cn2nc(-n3cccc3)c3c2nc(C)cc3C)cc(OCC)c1OCC ZINC000020992733 195262501 /nfs/dbraw/zinc/26/25/01/195262501.db2.gz ZSVRKISEZXJEEO-UHFFFAOYSA-N 0 0 491.592 4.351 50 0 JIAARN Cc1cccc(N(C)C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc32)c1 ZINC000020995140 195263954 /nfs/dbraw/zinc/26/39/54/195263954.db2.gz JLIYSWGFJBYVQF-HSZRJFAPSA-N 0 0 459.571 4.096 50 0 JIAARN Cc1cc(NC(=O)[C@H](NS(=O)(=O)c2cccc3cccnc32)C(C)C)ccc1Br ZINC000020995243 195263980 /nfs/dbraw/zinc/26/39/80/195263980.db2.gz QYPVQPBLWNOPLB-LJQANCHMSA-N 0 0 476.396 4.247 50 0 JIAARN COc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)CC1 ZINC000021039704 195270667 /nfs/dbraw/zinc/27/06/67/195270667.db2.gz VKGOKAKECNKPDR-UHFFFAOYSA-N 0 0 494.437 4.133 50 0 JIAARN COc1ccccc1N(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000021032663 195270027 /nfs/dbraw/zinc/27/00/27/195270027.db2.gz ZWDWGVVAQHWLQY-UHFFFAOYSA-N 0 0 469.346 4.107 50 0 JIAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](c3ccccc3)C(=O)N21)NCc1ccc(F)cc1 ZINC000021053057 195273227 /nfs/dbraw/zinc/27/32/27/195273227.db2.gz ZWRSFQOMKUEWCA-JOCHJYFZSA-N 0 0 458.518 4.207 50 0 JIAARN CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)NC45CC6CC(CC(C6)C4)C5)CC3)ccc21 ZINC000021087957 195273802 /nfs/dbraw/zinc/27/38/02/195273802.db2.gz LFNJAWGDJJVKDF-UHFFFAOYSA-N 0 0 484.666 4.036 50 0 JIAARN COC(=O)c1cc(C)nc2c1c(=O)nc(SCc1nc(-c3ccccc3)oc1C)n2C1CC1 ZINC000021098433 195275943 /nfs/dbraw/zinc/27/59/43/195275943.db2.gz BCSSUFBGRFMHLJ-UHFFFAOYSA-N 0 0 462.531 4.477 50 0 JIAARN C[C@H](OC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000021119719 195279252 /nfs/dbraw/zinc/27/92/52/195279252.db2.gz BMRKPVPPCIAUIJ-MEDUHNTESA-N 0 0 457.836 4.029 50 0 JIAARN COCCCn1c(=O)c2c(nc1S[C@H](C)C(=O)Nc1ccc(Cl)cn1)sc1c2CCC1 ZINC000021125655 195280716 /nfs/dbraw/zinc/28/07/16/195280716.db2.gz PLIINUYXZHLIEM-GFCCVEGCSA-N 0 0 479.027 4.151 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000021140491 195281123 /nfs/dbraw/zinc/28/11/23/195281123.db2.gz QIZJCMYKOUUWCQ-DOTOQJQBSA-N 0 0 497.617 4.035 50 0 JIAARN CCOc1ccc(NC(=O)Cn2c(C)nc3c4cc5c(nc4sc3c2=O)CC(C)(C)OC5)cc1 ZINC000021151844 195283326 /nfs/dbraw/zinc/28/33/26/195283326.db2.gz LRDMYEMGVQLQFM-UHFFFAOYSA-N 0 0 478.574 4.203 50 0 JIAARN COc1ccc(Cl)cc1S(=O)(=O)NCCCn1c(-c2ccc(C)cc2)nc2cccnc21 ZINC000021155458 195284527 /nfs/dbraw/zinc/28/45/27/195284527.db2.gz QCVCEXCARFFUMS-UHFFFAOYSA-N 0 0 470.982 4.437 50 0 JIAARN CCOC(=O)c1oc2ccc(S(=O)(=O)NCc3ccc4c(c3)CCN4C(=O)CC(C)C)cc2c1C ZINC000021157074 195285307 /nfs/dbraw/zinc/28/53/07/195285307.db2.gz NARKHFVYTFRXEU-UHFFFAOYSA-N 0 0 498.601 4.332 50 0 JIAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1CC(=O)Nc1cc(OC)ccc1OC)CCCC3 ZINC000021161197 195287399 /nfs/dbraw/zinc/28/73/99/195287399.db2.gz OEYYKMBFYBNGPM-UHFFFAOYSA-N 0 0 499.589 4.373 50 0 JIAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1CC(=O)Nc1cccc(OC)c1)CCCC3 ZINC000021161183 195287564 /nfs/dbraw/zinc/28/75/64/195287564.db2.gz IBMIPGSAQGKNCN-UHFFFAOYSA-N 0 0 469.563 4.364 50 0 JIAARN CCN(CC)c1ccc([C@H]2OCC(C)(C)n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000021176205 195290144 /nfs/dbraw/zinc/29/01/44/195290144.db2.gz DYUYWOYXEPYDIN-AREMUKBSSA-N 0 0 486.616 4.407 50 0 JIAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc(OC)c1OC ZINC000021177439 195290688 /nfs/dbraw/zinc/29/06/88/195290688.db2.gz MJYTWYIOGUMSIR-CQSZACIVSA-N 0 0 450.520 4.290 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2cc(C)cc(C)c2)c2ncnn2[C@H]1c1ccc(C)cc1 ZINC000021350889 195296355 /nfs/dbraw/zinc/29/63/55/195296355.db2.gz VIQZQCQVPXBTDA-DEOSSOPVSA-N 0 0 459.550 4.089 50 0 JIAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2ncnn2[C@H]1c1ccc(F)cc1 ZINC000021351297 195296644 /nfs/dbraw/zinc/29/66/44/195296644.db2.gz BYAVPGIRUYXDNP-QFIPXVFZSA-N 0 0 483.931 4.264 50 0 JIAARN O=S(=O)(Nc1cccc(-c2nnc(Cc3ccc4c(c3)OCO4)o2)c1)c1ccc(F)c(F)c1 ZINC000021358827 195298406 /nfs/dbraw/zinc/29/84/06/195298406.db2.gz XSGRUSPXKSCSFX-UHFFFAOYSA-N 0 0 471.441 4.135 50 0 JIAARN CCCn1c(=O)c2ccccc2nc1SCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000021468698 195302269 /nfs/dbraw/zinc/30/22/69/195302269.db2.gz UFNLTLMFCCPTFU-FQEVSTJZSA-N 0 0 465.575 4.034 50 0 JIAARN COc1ccc(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)NC(C)C ZINC000021467578 195302320 /nfs/dbraw/zinc/30/23/20/195302320.db2.gz IUQIXHNQDMTHRU-UHFFFAOYSA-N 0 0 484.622 4.177 50 0 JIAARN CNC(=O)[C@@H]1CN(C(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)c2ccccc2O1 ZINC000021471922 195302435 /nfs/dbraw/zinc/30/24/35/195302435.db2.gz ZARPGPYGDCBUGB-NRFANRHFSA-N 0 0 475.574 4.203 50 0 JIAARN Cc1csc(CNC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)n1 ZINC000021482499 195302776 /nfs/dbraw/zinc/30/27/76/195302776.db2.gz CDJMHVYENPFLKL-UHFFFAOYSA-N 0 0 460.353 4.162 50 0 JIAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)O[C@H](C)C(=O)N(c1nccs1)C1CCCCC1)C2=O ZINC000021488640 195303208 /nfs/dbraw/zinc/30/32/08/195303208.db2.gz MTYMMWZLLGXLHR-QGZVFWFLSA-N 0 0 483.590 4.125 50 0 JIAARN CCOC(=O)c1c(NC(=O)COC(=O)Cc2c(C)noc2C)sc(C)c1-c1ccccc1 ZINC000021493359 195303451 /nfs/dbraw/zinc/30/34/51/195303451.db2.gz DPBZMVXGRGQYIK-UHFFFAOYSA-N 0 0 456.520 4.229 50 0 JIAARN COCCNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000021528324 195306444 /nfs/dbraw/zinc/30/64/44/195306444.db2.gz WTYVDVZWZLMJOO-UHFFFAOYSA-N 0 0 450.539 4.287 50 0 JIAARN CC(C)NC(=O)NCc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000021529642 195308242 /nfs/dbraw/zinc/30/82/42/195308242.db2.gz PYPUHQOZMZDJSD-UHFFFAOYSA-N 0 0 463.607 4.161 50 0 JIAARN C[C@@H](Cc1ccco1)NC(=O)c1ccc(CN2c3cc(-c4ccccc4)nn3CCC2=O)cc1 ZINC000021531122 195309381 /nfs/dbraw/zinc/30/93/81/195309381.db2.gz DZIMUCXGUIWRFD-IBGZPJMESA-N 0 0 454.530 4.441 50 0 JIAARN Cc1cccc(C)c1NC(=O)c1ccc(Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)o1 ZINC000021533380 195310053 /nfs/dbraw/zinc/31/00/53/195310053.db2.gz FQGXNAIDZTUEMY-UHFFFAOYSA-N 0 0 483.572 4.080 50 0 JIAARN Cc1ccc(-c2cc(C(=O)N(Cc3cccc(Cl)c3)[C@@H]3CCS(=O)(=O)C3)no2)cc1F ZINC000021787826 195321718 /nfs/dbraw/zinc/32/17/18/195321718.db2.gz QEBLWWCYOBYPKZ-GOSISDBHSA-N 0 0 462.930 4.272 50 0 JIAARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1 ZINC000021797159 195322376 /nfs/dbraw/zinc/32/23/76/195322376.db2.gz AHCABZZXHCXWKB-UHFFFAOYSA-N 0 0 481.940 4.030 50 0 JIAARN Cc1nc2[nH]c(NCc3ccc(Cl)cc3)nn2c(=O)c1CCC(=O)Nc1ccccc1Cl ZINC000021804071 195323419 /nfs/dbraw/zinc/32/34/19/195323419.db2.gz TYGDPEXDHOVXOS-UHFFFAOYSA-N 0 0 471.348 4.216 50 0 JIAARN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@H](NC(=O)c3ccc(C)cc3)C(C)C)C2)cc1 ZINC000058355354 195378146 /nfs/dbraw/zinc/37/81/46/195378146.db2.gz LXFBBCGJARRKJM-ZJSXRUAMSA-N 0 0 464.610 4.118 50 0 JIAARN O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000021906288 195329229 /nfs/dbraw/zinc/32/92/29/195329229.db2.gz CCWWVLXUSXUNIG-UHFFFAOYSA-N 0 0 462.889 4.226 50 0 JIAARN CCOC(=O)Cc1csc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)n1 ZINC000021915525 195332073 /nfs/dbraw/zinc/33/20/73/195332073.db2.gz UGINRDIZPNQFCI-UHFFFAOYSA-N 0 0 478.574 4.338 50 0 JIAARN CCCCN(C)C(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3ccccc3)c2=O)CC1 ZINC000021921759 195333837 /nfs/dbraw/zinc/33/38/37/195333837.db2.gz QUNYFORGCUGSGT-UHFFFAOYSA-N 0 0 467.635 4.338 50 0 JIAARN CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)Nc4ccc(C)c(C)c4)CC3)ccc21 ZINC000021938920 195337922 /nfs/dbraw/zinc/33/79/22/195337922.db2.gz UBLYKIVUMNHLIL-UHFFFAOYSA-N 0 0 454.596 4.207 50 0 JIAARN COc1cccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(Br)cc4)C3)n2)c1 ZINC000021939987 195338651 /nfs/dbraw/zinc/33/86/51/195338651.db2.gz YVQJJSALQYRSRJ-OAHLLOKOSA-N 0 0 478.368 4.076 50 0 JIAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)c(Br)c1 ZINC000021940922 195338894 /nfs/dbraw/zinc/33/88/94/195338894.db2.gz OXGITQCIYDLCGS-UHFFFAOYSA-N 0 0 468.355 4.034 50 0 JIAARN Cc1cc(C)cc(NC(=O)CN2N=C(c3ccccc3)c3cc(Cl)ccc3S2(=O)=O)c1 ZINC000021942494 195339620 /nfs/dbraw/zinc/33/96/20/195339620.db2.gz OXCKJBKJISIUFY-UHFFFAOYSA-N 0 0 453.951 4.352 50 0 JIAARN CCCCn1c(=O)c2sccc2nc1SCC(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000057426447 195340732 /nfs/dbraw/zinc/34/07/32/195340732.db2.gz DUADDHVWADOXBK-UHFFFAOYSA-N 0 0 465.984 4.429 50 0 JIAARN CCCCc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccccc3F)c2=O)cc1 ZINC000057426788 195341142 /nfs/dbraw/zinc/34/11/42/195341142.db2.gz BARHOOOYRBOMED-UHFFFAOYSA-N 0 0 465.550 4.393 50 0 JIAARN CC(C)c1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cc(F)cc(F)c3)c2=O)c1 ZINC000057429094 195342106 /nfs/dbraw/zinc/34/21/06/195342106.db2.gz VWPLEQOHZUXINQ-UHFFFAOYSA-N 0 0 455.486 4.254 50 0 JIAARN Cc1ccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)c(Cl)c1 ZINC000057473257 195342917 /nfs/dbraw/zinc/34/29/17/195342917.db2.gz DTCIBXCRZHZZKD-UHFFFAOYSA-N 0 0 453.951 4.068 50 0 JIAARN O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)N1CCN(c2ccccc2F)CC1 ZINC000057487294 195344964 /nfs/dbraw/zinc/34/49/64/195344964.db2.gz UXMSMTFLMYTPNP-UHFFFAOYSA-N 0 0 465.916 4.346 50 0 JIAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1F)N[C@@H]1CCc2ccccc21 ZINC000057487582 195345274 /nfs/dbraw/zinc/34/52/74/195345274.db2.gz YEFNBCLGXDDQPV-QGZVFWFLSA-N 0 0 451.548 4.482 50 0 JIAARN CCc1cccc(C)c1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000057491872 195347440 /nfs/dbraw/zinc/34/74/40/195347440.db2.gz URLVCTBWCOXAJZ-UHFFFAOYSA-N 0 0 453.951 4.377 50 0 JIAARN Cc1cc(C)c(NC(=O)Cn2c3ccsc3c(=O)n(-c3cc(F)cc(F)c3)c2=O)c(C)c1 ZINC000057494190 195348114 /nfs/dbraw/zinc/34/81/14/195348114.db2.gz NPMSIYJICWTRFH-UHFFFAOYSA-N 0 0 455.486 4.056 50 0 JIAARN COc1ccc([C@@H]2CCCN2CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(OC)c1 ZINC000058169708 195370584 /nfs/dbraw/zinc/37/05/84/195370584.db2.gz GZZSEMYSXLOICY-DEOSSOPVSA-N 0 0 471.557 4.294 50 0 JIAARN CN(CCN(C(=O)Cc1noc2ccccc21)c1ccccc1)C(=O)Cc1noc2ccccc21 ZINC000058177889 195372088 /nfs/dbraw/zinc/37/20/88/195372088.db2.gz BSMXARDGEDLECM-UHFFFAOYSA-N 0 0 468.513 4.246 50 0 JIAARN O=C(CSCc1cccc(Cl)c1)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000058265927 195375545 /nfs/dbraw/zinc/37/55/45/195375545.db2.gz ANCVWSSJVMBXCC-UHFFFAOYSA-N 0 0 453.029 4.064 50 0 JIAARN CSc1nc(C)c(CCC(=O)N2CCC(=C3C(=O)Nc4cc(Cl)ccc43)CC2)c(C)n1 ZINC000058265755 195375587 /nfs/dbraw/zinc/37/55/87/195375587.db2.gz SITRMXAFYVPLAQ-UHFFFAOYSA-N 0 0 456.999 4.430 50 0 JIAARN CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(Cc4ccc(C)cc4)C3)n2)cc1 ZINC000058310943 195376906 /nfs/dbraw/zinc/37/69/06/195376906.db2.gz CPUBPVOSTLIRTD-HTAPYJJXSA-N 0 0 476.602 4.303 50 0 JIAARN O=C(Nc1ccc(-n2cncn2)nc1)NC1(Cc2ccc(Br)cc2)CCCCC1 ZINC000058310808 195376971 /nfs/dbraw/zinc/37/69/71/195376971.db2.gz QIOSYNNBIJUDQE-UHFFFAOYSA-N 0 0 455.360 4.492 50 0 JIAARN O=C(CCN1C(=O)NC2(CCCCC2)C1=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000058308618 195376985 /nfs/dbraw/zinc/37/69/85/195376985.db2.gz KFJJTVVEDHAXQQ-GOSISDBHSA-N 0 0 451.489 4.404 50 0 JIAARN O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000021577347 195315635 /nfs/dbraw/zinc/31/56/35/195315635.db2.gz WYASUBOUEQMSLN-FMIVXFBMSA-N 0 0 454.574 4.208 50 0 JIAARN COc1cc(NC(=O)c2cccc(CN3CCCC3=O)c2)c(OC)cc1NC(=O)c1ccccc1 ZINC000021589456 195317590 /nfs/dbraw/zinc/31/75/90/195317590.db2.gz RDJGDAWEWVZRHX-UHFFFAOYSA-N 0 0 473.529 4.331 50 0 JIAARN CCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H](C(=O)NCC(C)C)C3)cc2)cc1 ZINC000021706991 195320102 /nfs/dbraw/zinc/32/01/02/195320102.db2.gz JLZMWMBSPDZCEI-QFIPXVFZSA-N 0 0 485.650 4.064 50 0 JIAARN CCc1ccc(-n2c(CN3CCN(C(=O)NCc4ccc(OC)cc4)CC3)nc3cccnc32)cc1 ZINC000064567801 195443211 /nfs/dbraw/zinc/44/32/11/195443211.db2.gz NZXJUXPGTCPFQT-UHFFFAOYSA-N 0 0 484.604 4.019 50 0 JIAARN Cc1ccc(Cn2c(=O)c(N3CCN(C(=O)Nc4cc(C)cc(C)c4)CC3)nc3cccnc32)cc1 ZINC000064567555 195443254 /nfs/dbraw/zinc/44/32/54/195443254.db2.gz DKFSVVRSMYBRSZ-UHFFFAOYSA-N 0 0 482.588 4.119 50 0 JIAARN CCCN(CCC)C(=O)[C@@H](C)n1nc(Br)c(Br)c1Br ZINC000059949695 195413665 /nfs/dbraw/zinc/41/36/65/195413665.db2.gz YZHQJOHWRWYXIB-MRVPVSSYSA-N 0 0 460.008 4.380 50 0 JIAARN CCc1noc(CCCC(=O)O[C@H](c2ccccc2)[C@H](C)N(C)S(=O)(=O)c2cccs2)n1 ZINC000062564169 195421722 /nfs/dbraw/zinc/42/17/22/195421722.db2.gz QMDKWSTWZYUJNX-AOMKIAJQSA-N 0 0 477.608 4.010 50 0 JIAARN COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)ccc1Br ZINC000062566494 195421762 /nfs/dbraw/zinc/42/17/62/195421762.db2.gz AQJYWCRDBGFEGI-LJQANCHMSA-N 0 0 492.395 4.038 50 0 JIAARN Cc1c(-c2nc(-c3ccncc3)no2)sc2ncn(CC(=O)Nc3ccc(C)c(C)c3)c(=O)c12 ZINC000064439252 195435572 /nfs/dbraw/zinc/43/55/72/195435572.db2.gz OHPSTDVMVLHAFC-UHFFFAOYSA-N 0 0 472.530 4.134 50 0 JIAARN CC(C)(C)Nc1c(-c2ccccc2)nc2sc(N3CCN(CC(=O)NC4CCCCC4)CC3)nn21 ZINC000064452016 195437787 /nfs/dbraw/zinc/43/77/87/195437787.db2.gz ZJYPVFXSSMXRBF-UHFFFAOYSA-N 0 0 495.697 4.239 50 0 JIAARN CCc1nc(C(C)C)nc(N2CCN(C(=O)COC)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000095538621 129900856 /nfs/dbraw/zinc/90/08/56/129900856.db2.gz AZQXPUDHOOPDMB-UHFFFAOYSA-N 0 0 464.532 4.067 50 0 JIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(OC)c(O)c2)cc1 ZINC000096114056 129962528 /nfs/dbraw/zinc/96/25/28/129962528.db2.gz DRRVYJQATQILMF-URXFXBBRSA-N 0 0 459.454 4.047 50 0 biogenic JIAARN COc1cccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2cc(OC)c(O)c(OC)c2)c1 ZINC000096115635 129968429 /nfs/dbraw/zinc/96/84/29/129968429.db2.gz AOTHYVSNRNGVRF-SQJMNOBHSA-N 0 0 489.480 4.056 50 0 biogenic JIAARN CCOCCOc1nc(-c2ccc(OC)cc2)n(-c2cccc(NC(=O)[C@]3(Cl)C[C@@H]3F)c2)n1 ZINC000096278406 130020215 /nfs/dbraw/zinc/02/02/15/130020215.db2.gz RDJVZXMJMDMQKO-CVDCTZTESA-N 0 0 474.920 4.016 50 0 JIAARN C[C@@H](C(=O)NCCN1CCOCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290462 130039970 /nfs/dbraw/zinc/03/99/70/130039970.db2.gz BSEDHVGVICEUQF-HNNXBMFYSA-N 0 0 479.383 4.082 50 0 JIAARN Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)c1Cc1ccc(Cl)cc1 ZINC000096318001 130063206 /nfs/dbraw/zinc/06/32/06/130063206.db2.gz HXWJEOJOVAGHAJ-JOCHJYFZSA-N 0 0 477.008 4.381 50 0 JIAARN COc1ccc([C@H]2c3sc(=O)[nH]c3SC[C@@]23CC(=O)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000096318884 130063767 /nfs/dbraw/zinc/06/37/67/130063767.db2.gz IQKIODBYROXEDT-JTSKRJEESA-N 0 0 472.975 4.286 50 0 JIAARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)c(Br)c1 ZINC000096324634 130070574 /nfs/dbraw/zinc/07/05/74/130070574.db2.gz GAEKRCMQZOHRDE-INIZCTEOSA-N 0 0 468.355 4.034 50 0 JIAARN COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1oc(CSc2ccc(F)cc2F)cc(=O)c1O ZINC000096335898 130072154 /nfs/dbraw/zinc/07/21/54/130072154.db2.gz OKNQOOPPCSGZIZ-OAHLLOKOSA-N 0 0 476.453 4.340 50 0 JIAARN COc1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccc(F)cc2)cc2c1OCO2 ZINC000096335956 130072499 /nfs/dbraw/zinc/07/24/99/130072499.db2.gz VGNBLRZIHWAFFM-GBXCKJPGSA-N 0 0 475.428 4.201 50 0 JIAARN Cc1ccc(S(=O)(=O)N/N=c2/oc3ccccc3cc2C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000096481931 130100664 /nfs/dbraw/zinc/10/06/64/130100664.db2.gz ZNNHCJNJNIOQTM-SLEBQGDGSA-N 0 0 469.469 4.066 50 0 JIAARN COc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)/C=C\c2ccccc2)cc1OC ZINC000096513918 130113450 /nfs/dbraw/zinc/11/34/50/130113450.db2.gz UGYIHDTYIQUHJB-NXVVXOECSA-N 0 0 466.559 4.145 50 0 JIAARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C1=O ZINC000102912230 130387504 /nfs/dbraw/zinc/38/75/04/130387504.db2.gz JUJAPQYUNVFBIH-QHAWAJNXSA-N 0 0 462.527 4.203 50 0 JIAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000102914526 130387609 /nfs/dbraw/zinc/38/76/09/130387609.db2.gz BWFLKAYZLZOWIC-KMDXXIMOSA-N 0 0 474.488 4.362 50 0 JIAARN C[C@@H]1CCC[C@H](NC(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc43)CC2)[C@H]1C ZINC000103657438 130651381 /nfs/dbraw/zinc/65/13/81/130651381.db2.gz PVYGGCPPEXVVSN-VTUZHBMHSA-N 0 0 457.640 4.260 50 0 JIAARN C[C@@H]1CCC[C@@H](NC(=O)Cn2ncc3c4ccccc4n(Cc4ccc(F)cc4)c3c2=O)[C@H]1C ZINC000103674009 130651893 /nfs/dbraw/zinc/65/18/93/130651893.db2.gz XGSVIHAYVXWTDQ-IEGUWTFLSA-N 0 0 460.553 4.480 50 0 JIAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C ZINC000008880910 518218950 /nfs/dbraw/zinc/21/89/50/518218950.db2.gz NEHFESNMDBLJOJ-NRFANRHFSA-N 0 0 450.608 4.188 50 0 JIAARN 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CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000036214476 523987950 /nfs/dbraw/zinc/98/79/50/523987950.db2.gz UXFDWVZYDRWVPD-MBSDFSHPSA-N 0 0 484.641 4.256 50 0 JIAARN CCc1ccc(NC(=O)c2nc3c(=O)n(Cc4cccc(F)c4)c4cc(C)ccc4n3n2)cc1 ZINC000033274419 523993358 /nfs/dbraw/zinc/99/33/58/523993358.db2.gz IBNXADPTXKRREL-UHFFFAOYSA-N 0 0 455.493 4.355 50 0 JIAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036210671 523994866 /nfs/dbraw/zinc/99/48/66/523994866.db2.gz UEVJNCFUPFXMCP-FDDCHVKYSA-N 0 0 470.013 4.214 50 0 JIAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036213172 523994919 /nfs/dbraw/zinc/99/49/19/523994919.db2.gz ZLJDMZDKRJYJOF-FDDCHVKYSA-N 0 0 470.013 4.214 50 0 JIAARN CCc1ccc(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCCC3)c2)cc1 ZINC000033307639 523995535 /nfs/dbraw/zinc/99/55/35/523995535.db2.gz HYCYNMXLGSNZRM-UHFFFAOYSA-N 0 0 472.636 4.296 50 0 JIAARN CCc1ccc(Nc2nnc(SCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)s2)cc1 ZINC000014640428 523996794 /nfs/dbraw/zinc/99/67/94/523996794.db2.gz YDYQXTOYMFYDFQ-UHFFFAOYSA-N 0 0 497.646 4.009 50 0 JIAARN CCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)cc1 ZINC000046124426 524011660 /nfs/dbraw/zinc/01/16/60/524011660.db2.gz KKFLTQSVJPEIQA-MRXNPFEDSA-N 0 0 474.583 4.060 50 0 JIAARN CCc1ccc(S(=O)(=O)N2CCN(c3nccc(-c4cccc(C(F)(F)F)c4)n3)CC2)cc1 ZINC000023448744 524012563 /nfs/dbraw/zinc/01/25/63/524012563.db2.gz IPMWQXRQZQIONM-UHFFFAOYSA-N 0 0 476.524 4.236 50 0 JIAARN COc1ccc(CN(Cc2cc(=O)oc3ccc(C(C)C)cc23)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000016742549 524013107 /nfs/dbraw/zinc/01/31/07/524013107.db2.gz NNKQWKGYUJXYEF-NRFANRHFSA-N 0 0 485.602 4.123 50 0 JIAARN CCc1ccc(S(=O)(=O)Nc2ccc(N3CCC[C@H](C[NH+]4CCCC4)C3)c(C(=O)[O-])c2)cc1 ZINC000033253746 524016480 /nfs/dbraw/zinc/01/64/80/524016480.db2.gz BECWUHXCHMTAJK-HXUWFJFHSA-N 0 0 471.623 4.060 50 0 JIAARN COc1ccc(CN2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021852003 524021127 /nfs/dbraw/zinc/02/11/27/524021127.db2.gz YXKJEXGGZCKHQC-AREMUKBSSA-N 0 0 452.599 4.053 50 0 JIAARN COc1ccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021851174 524021152 /nfs/dbraw/zinc/02/11/52/524021152.db2.gz LIPUPKWUVVAXAP-AREMUKBSSA-N 0 0 478.618 4.484 50 0 JIAARN COc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2)cc1OC ZINC000021858169 524021302 /nfs/dbraw/zinc/02/13/02/524021302.db2.gz HXQFXOSXMYMVJT-GDLZYMKVSA-N 0 0 483.568 4.390 50 0 JIAARN COc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021853762 524021600 /nfs/dbraw/zinc/02/16/00/524021600.db2.gz BSONMLMJFZKVQA-GDLZYMKVSA-N 0 0 480.568 4.290 50 0 JIAARN COc1ccc(CN2C(=S)N(Cc3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1OC ZINC000012371327 524022411 /nfs/dbraw/zinc/02/24/11/524022411.db2.gz BOWLXOQFQWMGJO-QFIPXVFZSA-N 0 0 489.597 4.231 50 0 JIAARN CN(C)C(=O)c1cn(CC2CCCCC2)cc(C(=O)NCc2nc(-c3ccccc3)cs2)c1=O ZINC000012218485 524031501 /nfs/dbraw/zinc/03/15/01/524031501.db2.gz KVVZPHCEVFYQQH-UHFFFAOYSA-N 0 0 478.618 4.184 50 0 JIAARN CN1c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2-c2ccccc2S1(=O)=O ZINC000033088626 524031973 /nfs/dbraw/zinc/03/19/73/524031973.db2.gz NXFGOQALFKOYFV-UHFFFAOYSA-N 0 0 475.570 4.371 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3ccc(Sc4ccc(C)cc4)nn3)CC2)cc1OC ZINC000045921410 524046007 /nfs/dbraw/zinc/04/60/07/524046007.db2.gz OCWBCDYSAQLXMF-UHFFFAOYSA-N 0 0 478.618 4.486 50 0 JIAARN COc1ccc(CNC(=O)C2CCN(c3nnc(C)c4c(C)n(-c5ccc(C)cc5)nc43)CC2)cc1 ZINC000008594034 524046952 /nfs/dbraw/zinc/04/69/52/524046952.db2.gz XRAAHWMIRCZQJG-UHFFFAOYSA-N 0 0 484.604 4.282 50 0 JIAARN COc1ccc(CNC(=O)CSc2nccn2-c2cccc(C(=O)NCc3cccs3)c2)cc1 ZINC000033264964 524053773 /nfs/dbraw/zinc/05/37/73/524053773.db2.gz POFLOTGQNRLALO-UHFFFAOYSA-N 0 0 492.626 4.281 50 0 JIAARN COc1ccc(CNC(=O)CSc2nccn2-c2ccc(C(=O)NCc3ccccc3)cc2)cc1 ZINC000044166212 524053845 /nfs/dbraw/zinc/05/38/45/524053845.db2.gz IPHPOXGMTKFJSC-UHFFFAOYSA-N 0 0 486.597 4.219 50 0 biogenic JIAARN COc1ccc(CNC(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)cc1OC ZINC000022505075 524061824 /nfs/dbraw/zinc/06/18/24/524061824.db2.gz MHQUGDKZILDULG-UHFFFAOYSA-N 0 0 481.574 4.167 50 0 JIAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccsc4c(=O)n3-c3ccc(F)cc3)C2)cc1 ZINC000033302567 524064649 /nfs/dbraw/zinc/06/46/49/524064649.db2.gz LLIAAQCBSJEJMC-SFHVURJKSA-N 0 0 492.576 4.128 50 0 JIAARN CCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C)n3)cs2)C1 ZINC000033279238 524065683 /nfs/dbraw/zinc/06/56/83/524065683.db2.gz BXKFUOZRKQLNEI-KRWDZBQOSA-N 0 0 474.608 4.017 50 0 JIAARN COc1ccc(CNC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2cccc(C)c2)c3=O)c(OC)c1 ZINC000048990462 524067087 /nfs/dbraw/zinc/06/70/87/524067087.db2.gz FWHARLQEKMSUDQ-UHFFFAOYSA-N 0 0 498.583 4.242 50 0 JIAARN CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000080355828 524080978 /nfs/dbraw/zinc/08/09/78/524080978.db2.gz KMISEGRJALOLSP-RUZDIDTESA-N 0 0 463.541 4.108 50 0 JIAARN COc1cccc([C@@H](C)N(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c2cnn(C)c2)c1 ZINC000048311944 524085771 /nfs/dbraw/zinc/08/57/71/524085771.db2.gz FUIJGSMZWYUAOU-HXUWFJFHSA-N 0 0 496.633 4.401 50 0 JIAARN COc1cccc([C@@H](CNC(=O)CN2CCc3ccccc32)c2c[nH]c3ccccc32)c1OC ZINC000048290552 524095833 /nfs/dbraw/zinc/09/58/33/524095833.db2.gz DGCQHNGCDQZCIQ-HSZRJFAPSA-N 0 0 455.558 4.496 50 0 JIAARN C[C@H](CCC(=O)Nc1nccs1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000070666191 524120416 /nfs/dbraw/zinc/12/04/16/524120416.db2.gz MJGLMLTYXSOSDA-ZESNAWOTSA-N 0 0 490.710 4.459 50 0 biogenic JIAARN COc1cccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000036060266 524123342 /nfs/dbraw/zinc/12/33/42/524123342.db2.gz SWFIPNNBWMYDAD-XZOQPEGZSA-N 0 0 492.959 4.250 50 0 JIAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cc(-c4cnn5c4nc(C)cc5C)ccc3C)CC2)c1 ZINC000033298051 524125755 /nfs/dbraw/zinc/12/57/55/524125755.db2.gz ZNACKZRWLYTCII-UHFFFAOYSA-N 0 0 489.645 4.449 50 0 JIAARN Cc1ccc(C)c(N2CCN(c3nccnc3SCC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000033292861 524127055 /nfs/dbraw/zinc/12/70/55/524127055.db2.gz KFDDJZSYRSYPOC-UHFFFAOYSA-N 0 0 451.571 4.290 50 0 JIAARN Cc1cccc(-n2c(CNC(=O)c3ccccc3)nnc2SCC(=O)N2CCc3ccccc32)c1 ZINC000008792134 524137256 /nfs/dbraw/zinc/13/72/56/524137256.db2.gz TWSQLWNJWLQZIG-UHFFFAOYSA-N 0 0 483.597 4.187 50 0 JIAARN COc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 ZINC000033579921 524162250 /nfs/dbraw/zinc/16/22/50/524162250.db2.gz AMTXJSGORJDNRO-UHFFFAOYSA-N 0 0 495.421 4.418 50 0 JIAARN Cc1cccc(C(=O)N2CCC([C@@H](NC(=O)c3ccccc3Cl)C(=O)N3CCCCC3)CC2)c1 ZINC000036209825 524168774 /nfs/dbraw/zinc/16/87/74/524168774.db2.gz QBUJYBSTQCYOHW-XMMPIXPASA-N 0 0 482.024 4.312 50 0 JIAARN COc1cccc([C@H]2CN(C(=O)C3CCCC3)C[C@H]2C(=O)N2CCN(c3ccccc3C)CC2)c1 ZINC000036062354 524179066 /nfs/dbraw/zinc/17/90/66/524179066.db2.gz NDZZIWHOJOWHRI-CLJLJLNGSA-N 0 0 475.633 4.085 50 0 JIAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCC[C@H](C[NH+]4CCCC4)C3)c(C(=O)[O-])c2)c1 ZINC000033253734 524194011 /nfs/dbraw/zinc/19/40/11/524194011.db2.gz WADVFNVMUOPSMX-HXUWFJFHSA-N 0 0 471.623 4.115 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)/C=C\c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000033527755 524218935 /nfs/dbraw/zinc/21/89/35/524218935.db2.gz WJDBDRASKZGIEC-XFFZJAGNSA-N 0 0 464.971 4.184 50 0 JIAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)NCc3ccccc3Br)C2)s1 ZINC000033315245 524221342 /nfs/dbraw/zinc/22/13/42/524221342.db2.gz MUCUPMOIPBCEIU-QGZVFWFLSA-N 0 0 474.428 4.241 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccccc3)no2)c1=O ZINC000016840304 524228677 /nfs/dbraw/zinc/22/86/77/524228677.db2.gz RVVNCOXXIRZKGH-UHFFFAOYSA-N 0 0 464.909 4.483 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)Cn1c2cc(Cl)ccc2n(Cc2ccccc2)c(=O)c1=O ZINC000002654280 524229565 /nfs/dbraw/zinc/22/95/65/524229565.db2.gz YQYGXQCKMPGGAH-UHFFFAOYSA-N 0 0 484.339 4.166 50 0 JIAARN COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1C)CC2 ZINC000065002882 524249382 /nfs/dbraw/zinc/24/93/82/524249382.db2.gz WZHBFFZUNIRBNY-UHFFFAOYSA-N 0 0 470.978 4.338 50 0 JIAARN COc1cccc2cc(C(=O)C[C@@]3(O)c4ccccc4N(Cc4ccccc4Cl)C3=O)c(=O)oc21 ZINC000008722161 524257023 /nfs/dbraw/zinc/25/70/23/524257023.db2.gz SNDJTZLXQFTUII-HHHXNRCGSA-N 0 0 489.911 4.462 50 0 JIAARN COc1ccc(Cn2cnc3c4cc(F)ccc4n(CC(=O)NCCCc4ccccc4)c3c2=O)cc1 ZINC000035399858 524263894 /nfs/dbraw/zinc/26/38/94/524263894.db2.gz YTSKFRUBCXHWSN-UHFFFAOYSA-N 0 0 498.558 4.296 50 0 JIAARN Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000022926376 524275748 /nfs/dbraw/zinc/27/57/48/524275748.db2.gz OECPJYMEVSRCEW-UHFFFAOYSA-N 0 0 470.617 4.089 50 0 JIAARN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 ZINC000034873524 524279426 /nfs/dbraw/zinc/27/94/26/524279426.db2.gz UHNBQAPYXAGNPR-WHSLLNHNSA-N 0 0 473.620 4.080 50 0 JIAARN COc1ccccc1-c1nc2c(c(C(N)=O)n1)n(Cc1ccccc1)c(=O)n2-c1ccc(C)c(C)c1 ZINC000064966073 524281754 /nfs/dbraw/zinc/28/17/54/524281754.db2.gz IPUDBCMSJONOGT-UHFFFAOYSA-N 0 0 479.540 4.022 50 0 JIAARN COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2N)c(C)o1 ZINC000033169947 524282280 /nfs/dbraw/zinc/28/22/80/524282280.db2.gz WZIAVVSTXGBBLJ-UHFFFAOYSA-N 0 0 472.427 4.152 50 0 JIAARN COc1ccccc1-n1c(=O)n(Cc2nc(-c3cccc(C)c3)oc2C)c(=O)c2c(C)cc(C)nc21 ZINC000012462873 524299807 /nfs/dbraw/zinc/29/98/07/524299807.db2.gz NPVLQZPFJRSMAN-UHFFFAOYSA-N 0 0 482.540 4.493 50 0 JIAARN COc1ccccc1-n1c(=O)n(Cc2nc(-c3ccccc3C)oc2C)c(=O)c2c(C)cc(C)nc21 ZINC000046077210 524299835 /nfs/dbraw/zinc/29/98/35/524299835.db2.gz GNMSIUGBMUWRQZ-UHFFFAOYSA-N 0 0 482.540 4.493 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCC[C@@H](C[NH+]4CCCC4)C3)c(C(=O)[O-])c2)c(C)c1 ZINC000033253721 524324212 /nfs/dbraw/zinc/32/42/12/524324212.db2.gz JAIVELDPSCZQPJ-NRFANRHFSA-N 0 0 485.650 4.423 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCC[C@H](C[NH+]4CCCC4)C3)c(C(=O)[O-])c2)c(C)c1 ZINC000033253722 524324994 /nfs/dbraw/zinc/32/49/94/524324994.db2.gz JAIVELDPSCZQPJ-OAQYLSRUSA-N 0 0 485.650 4.423 50 0 JIAARN Cc1cc(C)cc(C(=O)N2CCN(C(=O)CCC(=O)c3ccc(Br)cc3)CC2)c1 ZINC000025743328 524362575 /nfs/dbraw/zinc/36/25/75/524362575.db2.gz NBCCJDYAKFZLJO-UHFFFAOYSA-N 0 0 457.368 4.013 50 0 JIAARN COc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002855590 524364834 /nfs/dbraw/zinc/36/48/34/524364834.db2.gz LXJYHZOXONYPDQ-UHFFFAOYSA-N 0 0 493.354 4.431 50 0 JIAARN COc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CC[C@H](c4ccccc4)C2)C3=O)cc1 ZINC000012420830 524390575 /nfs/dbraw/zinc/39/05/75/524390575.db2.gz DYZWNUHQTLDFJS-KMRXNPHXSA-N 0 0 485.609 4.422 50 0 JIAARN COc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c(OC)c1 ZINC000021851978 524396995 /nfs/dbraw/zinc/39/69/95/524396995.db2.gz YHUCXPZENDUFOC-SANMLTNESA-N 0 0 468.598 4.066 50 0 JIAARN COc1ccc(N2C(=O)c3cc(OC)c(OC)cc3N3C(=O)c4c(ccc(OC)c4OC)[C@@H]32)cc1 ZINC000002151087 524397553 /nfs/dbraw/zinc/39/75/53/524397553.db2.gz RHRQYOVPLUNHMP-XMMPIXPASA-N 0 0 476.485 4.049 50 0 biogenic JIAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c4ccccc4nc3C(=O)N2Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000021861423 524404071 /nfs/dbraw/zinc/40/40/71/524404071.db2.gz QEQVYGZSXPSLKI-FLMYGUAFSA-N 0 0 488.588 4.121 50 0 JIAARN Cc1cc(C)cc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2c(F)cccc2Cl)c4=O)c1 ZINC000009193001 524412962 /nfs/dbraw/zinc/41/29/62/524412962.db2.gz BZNXCSLPPRZZDG-MRXNPFEDSA-N 0 0 481.959 4.142 50 0 JIAARN Cc1cc(C)cc(NC(=O)[C@@H](C)n2nc(C)c3nn(-c4ccccc4)c(-n4cccc4)c3c2=O)c1 ZINC000033057962 524431154 /nfs/dbraw/zinc/43/11/54/524431154.db2.gz MUZZSYZRJRYGQD-HXUWFJFHSA-N 0 0 466.545 4.498 50 0 JIAARN Cc1cc(C)cc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)c1 ZINC000064999654 524434914 /nfs/dbraw/zinc/43/49/14/524434914.db2.gz OWDYNBZBVGJYHK-UHFFFAOYSA-N 0 0 456.589 4.305 50 0 JIAARN COc1ccc(N2C[C@@H](C(=O)N3CCC(c4noc(-c5ccc(Cl)cc5)n4)CC3)CC2=O)cc1 ZINC000033139591 524441258 /nfs/dbraw/zinc/44/12/58/524441258.db2.gz ZUHAFJPXNCNSGS-SFHVURJKSA-N 0 0 480.952 4.158 50 0 JIAARN COc1ccccc1CN1C(=O)c2cc(-c3cccs3)nn2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021851273 524445333 /nfs/dbraw/zinc/44/53/33/524445333.db2.gz DTUITEZQUYIENA-AREMUKBSSA-N 0 0 478.618 4.484 50 0 JIAARN COc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2I)cc1 ZINC000016212210 524450152 /nfs/dbraw/zinc/45/01/52/524450152.db2.gz HQYOPVJSMGCMQV-CPNJWEJPSA-N 0 0 488.281 4.302 50 0 JIAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cc3F)CC2)c1 ZINC000024612141 524452203 /nfs/dbraw/zinc/45/22/03/524452203.db2.gz YLDWAUFWLKIPKR-UHFFFAOYSA-N 0 0 469.376 4.077 50 0 JIAARN COc1ccc(NC(=O)/C=C\c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1Cl ZINC000033470080 524452414 /nfs/dbraw/zinc/45/24/14/524452414.db2.gz JFULEQSUFYQEKJ-XFFZJAGNSA-N 0 0 464.971 4.184 50 0 JIAARN COc1ccccc1CN1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c(=O)c2C1 ZINC000020467763 524455947 /nfs/dbraw/zinc/45/59/47/524455947.db2.gz YLXYJYFUTFZGRO-UHFFFAOYSA-N 0 0 470.982 4.133 50 0 JIAARN Cc1cc(C)cc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)c1 ZINC000046124154 524456628 /nfs/dbraw/zinc/45/66/28/524456628.db2.gz XWWGWVMMOOOSHJ-SFHVURJKSA-N 0 0 470.620 4.284 50 0 JIAARN COc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc3ccccc3n(Cc3ccc(C)cc3)c2=O)C1 ZINC000022599645 524473203 /nfs/dbraw/zinc/47/32/03/524473203.db2.gz GXPVZLUKAWNHKC-XMMPIXPASA-N 0 0 496.611 4.295 50 0 JIAARN COc1ccccc1CNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccccc1F ZINC000004798985 524479962 /nfs/dbraw/zinc/47/99/62/524479962.db2.gz UIXDIALRCOTEDF-LOSJGSFVSA-N 0 0 478.520 4.078 50 0 JIAARN Cc1ccc(CNC(=O)C2CCN(c3nc4ccsc4c(=O)n3Cc3ccccc3)CC2)cc1 ZINC000033302420 524497464 /nfs/dbraw/zinc/49/74/64/524497464.db2.gz AOWDEVODKZMGMG-UHFFFAOYSA-N 0 0 472.614 4.348 50 0 JIAARN COc1ccc(NC(=O)CSc2cn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c3ccccc23)cc1 ZINC000017246751 524507831 /nfs/dbraw/zinc/50/78/31/524507831.db2.gz BPVQQCJOZZYELU-ROUUACIJSA-N 0 0 467.591 4.017 50 0 JIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cc(C)ccc3OC)cs2)cc1 ZINC000008851607 524508298 /nfs/dbraw/zinc/50/82/98/524508298.db2.gz AYKWNKUKXPUVDM-UHFFFAOYSA-N 0 0 457.577 4.381 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCCC[C@@H]2C)cc1 ZINC000008608936 524509864 /nfs/dbraw/zinc/50/98/64/524509864.db2.gz VYRQNRRWGCJAKD-KRWDZBQOSA-N 0 0 452.580 4.177 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2C[C@H]2CCCO2)c(OC)c1 ZINC000067240032 524510368 /nfs/dbraw/zinc/51/03/68/524510368.db2.gz PNMMFZQHQDDCPT-MRXNPFEDSA-N 0 0 495.557 4.070 50 0 JIAARN COc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C2CC2)c(OC)c1 ZINC000016944671 524510405 /nfs/dbraw/zinc/51/04/05/524510405.db2.gz UOEFEYPYJWSQGK-UHFFFAOYSA-N 0 0 476.558 4.475 50 0 JIAARN COc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1Cl ZINC000002212429 524515305 /nfs/dbraw/zinc/51/53/05/524515305.db2.gz QDRSYTPXGFPVTB-UHFFFAOYSA-N 0 0 452.927 4.117 50 0 JIAARN COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1 ZINC000019898787 524522376 /nfs/dbraw/zinc/52/23/76/524522376.db2.gz GWMJGMMZTDDBGR-NRFANRHFSA-N 0 0 494.345 4.454 50 0 JIAARN COc1ccc(NC(=O)Cn2c3scc(CC(C)C)c3c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000012389249 524529363 /nfs/dbraw/zinc/52/93/63/524529363.db2.gz JQSGBZBJLFHGBU-UHFFFAOYSA-N 0 0 477.586 4.119 50 0 JIAARN COc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(F)cc4)no3)c2=O)cc1Cl ZINC000049002439 524530725 /nfs/dbraw/zinc/53/07/25/524530725.db2.gz TUTRNUOYRKIXIP-UHFFFAOYSA-N 0 0 454.845 4.005 50 0 JIAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(F)ccc32)c(OC)c1 ZINC000002689849 524530993 /nfs/dbraw/zinc/53/09/93/524530993.db2.gz VRGDRFXNHRHKFX-UHFFFAOYSA-N 0 0 460.461 4.028 50 0 JIAARN C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)C[C@H](c2ccccc2)O1 ZINC000048356253 524534760 /nfs/dbraw/zinc/53/47/60/524534760.db2.gz CFLFOJAWFRFHCS-YADARESESA-N 0 0 450.560 4.114 50 0 JIAARN COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(OC)c(OC)c2)cc1 ZINC000009712821 524541092 /nfs/dbraw/zinc/54/10/92/524541092.db2.gz HNVMBIOETCRSJF-UHFFFAOYSA-N 0 0 451.527 4.269 50 0 JIAARN Cc1ccc(CNC(=O)[C@@]2(C)Cn3c4ccccc4nc3C(=O)N2Cc2cccc(C)c2)cc1 ZINC000021862515 524546651 /nfs/dbraw/zinc/54/66/51/524546651.db2.gz JXKJWQSFNSOIBA-MUUNZHRXSA-N 0 0 452.558 4.384 50 0 JIAARN COc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cc3)CC2)c(OC)c1 ZINC000033258341 524549883 /nfs/dbraw/zinc/54/98/83/524549883.db2.gz JPKRXLIBKLEEPI-UHFFFAOYSA-N 0 0 451.527 4.231 50 0 JIAARN Cc1ccc(CNC(=O)c2ccc3nnc(SCC(=O)Nc4ccc(F)cc4Cl)n3c2)cc1 ZINC000033284635 524561346 /nfs/dbraw/zinc/56/13/46/524561346.db2.gz UPCBHFIYHLRMGI-UHFFFAOYSA-N 0 0 483.956 4.491 50 0 JIAARN COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1=O ZINC000046018669 524579872 /nfs/dbraw/zinc/57/98/72/524579872.db2.gz HMRXHKBTSGOHJD-IBGZPJMESA-N 0 0 454.486 4.404 50 0 JIAARN COc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(C)ccc4n3)cc2)c(OC)c1 ZINC000033068200 524579999 /nfs/dbraw/zinc/57/99/99/524579999.db2.gz QOWRDNWPCDYQBT-UHFFFAOYSA-N 0 0 460.490 4.243 50 0 JIAARN COc1ccccc1NC(=O)Cc1nc(COC(=O)/C=C/c2c(Cl)nc3sccn23)cs1 ZINC000039608164 524604484 /nfs/dbraw/zinc/60/44/84/524604484.db2.gz DUBGRKRHZWRQAM-VOTSOKGWSA-N 0 0 488.978 4.452 50 0 JIAARN Cc1cccc(NC(=O)Cn2c3ccccc3c3ncn(Cc4nc(-c5ccccc5)no4)c(=O)c32)c1 ZINC000033280890 524607841 /nfs/dbraw/zinc/60/78/41/524607841.db2.gz NBSBHCAVNMOJAY-UHFFFAOYSA-N 0 0 490.523 4.397 50 0 JIAARN COc1ccccc1NC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)C1 ZINC000033259731 524623132 /nfs/dbraw/zinc/62/31/32/524623132.db2.gz IZCWQXKPTCMKPK-NRFANRHFSA-N 0 0 483.572 4.012 50 0 JIAARN COc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 ZINC000064986142 524623724 /nfs/dbraw/zinc/62/37/24/524623724.db2.gz FQLQTOSGHSMCGP-JOCHJYFZSA-N 0 0 472.950 4.252 50 0 JIAARN COc1ccc(NC(=O)c2cc(Br)ccc2F)cc1S(=O)(=O)N1CCCCC1 ZINC000014094362 524624441 /nfs/dbraw/zinc/62/44/41/524624441.db2.gz XUFQNKKEORGQAP-UHFFFAOYSA-N 0 0 471.348 4.024 50 0 JIAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)c4ccc(Cl)cc4)CC3)s2)cc1 ZINC000033272827 524659040 /nfs/dbraw/zinc/65/90/40/524659040.db2.gz KNXFPONQUWLQKV-UHFFFAOYSA-N 0 0 456.955 4.472 50 0 JIAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)Nc4ccc(OC)c(OC)c4)CC3)s2)cc1 ZINC000033273022 524659053 /nfs/dbraw/zinc/65/90/53/524659053.db2.gz QDGCTEHKVAOUSN-UHFFFAOYSA-N 0 0 497.577 4.228 50 0 JIAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000012437622 524660001 /nfs/dbraw/zinc/66/00/01/524660001.db2.gz XGKSVTYFLFZUSB-RWEWTDSWSA-N 0 0 467.934 4.441 50 0 JIAARN COc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4cc(F)ccc4F)C3)s2)cc1 ZINC000033113133 524660893 /nfs/dbraw/zinc/66/08/93/524660893.db2.gz YCQBGOVLRKPNEW-CYBMUJFWSA-N 0 0 473.505 4.489 50 0 JIAARN COc1ccc(NS(=O)(=O)c2cc(-c3c(C)nn4c3NC(=O)CCC4=O)ccc2C)cc1Cl ZINC000033123124 524685445 /nfs/dbraw/zinc/68/54/45/524685445.db2.gz HAPIXTIMXKLXGP-UHFFFAOYSA-N 0 0 488.953 4.002 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccc(OC)cc3OC)c2)cc1 ZINC000024772213 524688460 /nfs/dbraw/zinc/68/84/60/524688460.db2.gz KKCGASDRLWHCQE-UHFFFAOYSA-N 0 0 484.574 4.094 50 0 JIAARN COc1ccc(NS(=O)(=O)c2ccc3oc(Nc4ccc5c(c4)OCCO5)nc3c2)cc1 ZINC000002645070 524694298 /nfs/dbraw/zinc/69/42/98/524694298.db2.gz HKBFPIAHBQIBJT-UHFFFAOYSA-N 0 0 453.476 4.152 50 0 aggregator JIAARN Cc1ccc(Cc2nsc(N3CCN(CCNC(=O)c4ccc(C(F)(F)F)cc4)CC3)n2)cc1 ZINC000033397305 524699175 /nfs/dbraw/zinc/69/91/75/524699175.db2.gz SJNJTJPTNUCBAM-UHFFFAOYSA-N 0 0 489.567 4.008 50 0 JIAARN Cc1cccc(OCC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c1 ZINC000046122616 524713050 /nfs/dbraw/zinc/71/30/50/524713050.db2.gz KNPMJFMWMZVBKB-INIZCTEOSA-N 0 0 454.527 4.023 50 0 JIAARN C[C@@H](CNC(=O)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)cc1)c1ccccc1 ZINC000035458006 524716166 /nfs/dbraw/zinc/71/61/66/524716166.db2.gz LMUVVYHPPMWPOT-FNZWTVRRSA-N 0 0 467.569 4.372 50 0 JIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)CC1 ZINC000021882449 524731740 /nfs/dbraw/zinc/73/17/40/524731740.db2.gz AANDSCNTDYQECM-OAHLLOKOSA-N 0 0 485.053 4.353 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)N1CCN(CCn2c3ncccc3nc2-c2ccncc2)CC1 ZINC000033139780 524750124 /nfs/dbraw/zinc/75/01/24/524750124.db2.gz HQPXPOZEPQGHMJ-UHFFFAOYSA-N 0 0 475.984 4.305 50 0 JIAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)CSc2ncccn2)C3)c1 ZINC000012456918 524791191 /nfs/dbraw/zinc/79/11/91/524791191.db2.gz LTKYIHRTKQBUOH-QGZVFWFLSA-N 0 0 471.966 4.026 50 0 JIAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3cccs3)CC(=O)N21 ZINC000002125312 524818278 /nfs/dbraw/zinc/81/82/78/524818278.db2.gz RPCORDVOTPIQIQ-OFVILXPXSA-N 0 0 457.555 4.123 50 0 biogenic JIAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccccc3)CC(=O)N21 ZINC000002122607 524818434 /nfs/dbraw/zinc/81/84/34/524818434.db2.gz SBCZEMPXOCMTMA-HOFKKMOUSA-N 0 0 451.526 4.062 50 0 biogenic JIAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3ncccc3-c3nc(-c4ccccc4)no3)CC2)c1 ZINC000049006489 524830109 /nfs/dbraw/zinc/83/01/09/524830109.db2.gz HPLRNWZKAXZZTE-UHFFFAOYSA-N 0 0 499.571 4.349 50 0 JIAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3nccnc3Oc3ccc(C)cc3)C2)c1 ZINC000033168992 524832646 /nfs/dbraw/zinc/83/26/46/524832646.db2.gz QAKWISOASJSCAI-IBGZPJMESA-N 0 0 462.550 4.127 50 0 JIAARN COc1ccc(OC)c(CNC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)c1 ZINC000008603966 524835134 /nfs/dbraw/zinc/83/51/34/524835134.db2.gz GIYQQGDPACIAJQ-UHFFFAOYSA-N 0 0 459.546 4.471 50 0 JIAARN COc1ccc(OC)c(NC(=O)c2c3c(sc2NC(=O)CN2CCC[C@H](C)C2)CCC3)c1 ZINC000016192735 524865907 /nfs/dbraw/zinc/86/59/07/524865907.db2.gz QYWLBUKAIGSFGT-HNNXBMFYSA-N 0 0 457.596 4.177 50 0 JIAARN C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)C[C@@H](c2ccccc2)O1 ZINC000048356254 524866467 /nfs/dbraw/zinc/86/64/67/524866467.db2.gz CFLFOJAWFRFHCS-DVECYGJZSA-N 0 0 450.560 4.114 50 0 JIAARN Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(C)(=O)=O)cc1C ZINC000002881817 524900867 /nfs/dbraw/zinc/90/08/67/524900867.db2.gz ASWZNQLLAZKENR-LJQANCHMSA-N 0 0 471.623 4.159 50 0 JIAARN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)c1 ZINC000033289162 524904275 /nfs/dbraw/zinc/90/42/75/524904275.db2.gz HJCUBDPPXONQJC-RBUKOAKNSA-N 0 0 462.550 4.380 50 0 JIAARN COc1ccc(OCC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)cc1 ZINC000046123510 524929416 /nfs/dbraw/zinc/92/94/16/524929416.db2.gz LADMFIPDBOVKBK-HNNXBMFYSA-N 0 0 486.981 4.237 50 0 JIAARN C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=c3\sc4nc(-c5ccco5)nn4c3=O)ccc2O1 ZINC000016736139 524974163 /nfs/dbraw/zinc/97/41/63/524974163.db2.gz FVAGLDLGIGUJCZ-ZGWJWYQGSA-N 0 0 493.548 4.135 50 0 JIAARN Cc1ccc(N2C[C@@H](C(=O)NC[C@H](c3cccs3)S(=O)(=O)c3ccc(C)cc3)CC2=O)cc1 ZINC000038564071 524979879 /nfs/dbraw/zinc/97/98/79/524979879.db2.gz VLELIMGOYYAOAS-WMZHIEFXSA-N 0 0 482.627 4.049 50 0 JIAARN Cc1cc(F)ccc1NC(=O)CSc1ncc2c(n1)-c1ccc(Cl)cc1N(C)S2(=O)=O ZINC000033039648 524989163 /nfs/dbraw/zinc/98/91/63/524989163.db2.gz FTWHEDZFRXKVIQ-UHFFFAOYSA-N 0 0 478.958 4.114 50 0 JIAARN 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Cc1ccc(S(=O)(=O)C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccc(F)cc2)cc1 ZINC000023119103 525486718 /nfs/dbraw/zinc/48/67/18/525486718.db2.gz DSPILGGGXBQOIG-JOCHJYFZSA-N 0 0 481.501 4.190 50 0 JIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2)c2ccccc2F)cc1 ZINC000002173276 525505174 /nfs/dbraw/zinc/50/51/74/525505174.db2.gz FKFVMUGHBYJIBO-UHFFFAOYSA-N 0 0 472.607 4.379 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(C(C)(C)C)cc2)C(=O)N3)cc1Cl ZINC000035432706 525524017 /nfs/dbraw/zinc/52/40/17/525524017.db2.gz XIXCUZUTJIBEIA-UHFFFAOYSA-N 0 0 474.026 4.046 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1I ZINC000033698919 525527663 /nfs/dbraw/zinc/52/76/63/525527663.db2.gz QUYHLZWAJYEEBE-UHFFFAOYSA-N 0 0 484.359 4.027 50 0 JIAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC1)c1cccn1-2 ZINC000035399359 525552745 /nfs/dbraw/zinc/55/27/45/525552745.db2.gz BVGGQTOOEWXOGZ-UHFFFAOYSA-N 0 0 473.982 4.253 50 0 biogenic JIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(F)c(F)c3)Oc3ccc(C)cc32)cc1 ZINC000064985929 525556307 /nfs/dbraw/zinc/55/63/07/525556307.db2.gz YYYFYPIYASLQTP-QFIPXVFZSA-N 0 0 458.486 4.177 50 0 JIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCc4ccccc43)Oc3ccc(Cl)cc32)cc1 ZINC000064986216 525557732 /nfs/dbraw/zinc/55/77/32/525557732.db2.gz AOGZMTQSZLANCU-HSZRJFAPSA-N 0 0 468.962 4.194 50 0 JIAARN Cc1cc2c(cc1-c1nnc(SCC(=O)NCc3ccc(Cl)cc3)n1C)OCCCO2 ZINC000064987224 525591702 /nfs/dbraw/zinc/59/17/02/525591702.db2.gz XLLKOMQRKSVUQT-UHFFFAOYSA-N 0 0 458.971 4.014 50 0 JIAARN CSCC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1nc2ccccc2[nH]1 ZINC000006079815 525592008 /nfs/dbraw/zinc/59/20/08/525592008.db2.gz QTWNQEHBMHOMPM-IBGZPJMESA-N 0 0 493.054 4.225 50 0 JIAARN Cc1c(C(=O)NCCN2CCOCC2)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(Cl)cc1)O3 ZINC000020418049 525611148 /nfs/dbraw/zinc/61/11/48/525611148.db2.gz AWIGOBYRPTYMTB-SANMLTNESA-N 0 0 482.964 4.337 50 0 JIAARN COc1ccc2cc(C(=O)N3CCC[C@H](c4nnc(C(=O)Nc5ccc(F)cc5)s4)C3)[nH]c2c1 ZINC000046122654 525620046 /nfs/dbraw/zinc/62/00/46/525620046.db2.gz DDSQEDMAARCFQJ-HNNXBMFYSA-N 0 0 479.537 4.439 50 0 JIAARN Cc1c(C(=O)NC[C@H]2OCCc3ccccc32)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 ZINC000014991168 525626499 /nfs/dbraw/zinc/62/64/99/525626499.db2.gz KQYSULRZIUNYGK-OAQYLSRUSA-N 0 0 488.569 4.384 50 0 JIAARN Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000046842858 525628107 /nfs/dbraw/zinc/62/81/07/525628107.db2.gz KZQXKGVCWUQAPZ-HOTGVXAUSA-N 0 0 473.499 4.138 50 0 JIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000044974771 525634404 /nfs/dbraw/zinc/63/44/04/525634404.db2.gz SACZSRHACBWGGC-UHFFFAOYSA-N 0 0 495.532 4.177 50 0 JIAARN C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000008721064 525655639 /nfs/dbraw/zinc/65/56/39/525655639.db2.gz KHVZUHUNAQMNDI-INIZCTEOSA-N 0 0 476.499 4.108 50 0 JIAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cc(OC)ccc3OC)sc2c1 ZINC000033271641 525656917 /nfs/dbraw/zinc/65/69/17/525656917.db2.gz PRPILUNMCUFBGF-MRXNPFEDSA-N 0 0 450.520 4.290 50 0 JIAARN Cc1cc2nc(SCC(=O)NCc3ccc(F)cc3F)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237266 525679007 /nfs/dbraw/zinc/67/90/07/525679007.db2.gz STALOPHXSUYRCZ-UHFFFAOYSA-N 0 0 454.502 4.017 50 0 JIAARN Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)c2cc1C ZINC000089608941 525689899 /nfs/dbraw/zinc/68/98/99/525689899.db2.gz FOGLDUPPTPPBJQ-UHFFFAOYSA-N 0 0 481.401 4.223 50 0 JIAARN Cc1ccc(-c2c3c(c4n2-c2ccccc2N[C@@H]4c2ccc(O)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000021658994 525710102 /nfs/dbraw/zinc/71/01/02/525710102.db2.gz QUIXERMQZDDXMZ-HSZRJFAPSA-N 0 0 464.525 4.224 50 0 JIAARN COc1cccc(-c2nc(CSc3n[nH]c(=O)c4cc(-c5ccc(F)cc5)nn43)c(C)o2)c1OC ZINC000045971901 525725321 /nfs/dbraw/zinc/72/53/21/525725321.db2.gz UONMVRZPGYSRHD-UHFFFAOYSA-N 0 0 493.520 4.497 50 0 JIAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)OCCO5)nc3n2)cc1 ZINC000021660533 525731294 /nfs/dbraw/zinc/73/12/94/525731294.db2.gz GWHLKMFOXOYBPN-UHFFFAOYSA-N 0 0 455.396 4.142 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)Nc3ccc(F)cc3)C2)c1 ZINC000033302583 525743768 /nfs/dbraw/zinc/74/37/68/525743768.db2.gz NJVQXPQKWIQYFR-INIZCTEOSA-N 0 0 478.549 4.450 50 0 JIAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)NCc3ccccc3F)CC2)c1 ZINC000033302362 525744372 /nfs/dbraw/zinc/74/43/72/525744372.db2.gz CSMSDVHCKRMQRY-UHFFFAOYSA-N 0 0 492.576 4.128 50 0 JIAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4ccccc4C)C4CC4)CC3)nn2)cc1 ZINC000036070139 525753317 /nfs/dbraw/zinc/75/33/17/525753317.db2.gz HGLQTPDIUZFSDA-UHFFFAOYSA-N 0 0 483.616 4.104 50 0 JIAARN Cc1ccc(-c2ccc(Nc3ccc(C(C)C)cc3)nn2)cc1S(=O)(=O)N1CCOCC1 ZINC000065009453 525754713 /nfs/dbraw/zinc/75/47/13/525754713.db2.gz NOSPKEUNQJWLTP-UHFFFAOYSA-N 0 0 452.580 4.340 50 0 JIAARN Cc1c(Cl)cccc1NC(=O)N1CCN(CCn2c3ncccc3nc2-c2ccncc2)CC1 ZINC000033139785 525770185 /nfs/dbraw/zinc/77/01/85/525770185.db2.gz AEHMHEZJCPZPQB-UHFFFAOYSA-N 0 0 475.984 4.305 50 0 JIAARN Cc1ccc(-c2csc(NC(=O)CSc3nnc(CNC(=O)c4ccccc4C)n3C)n2)cc1 ZINC000002837164 525782169 /nfs/dbraw/zinc/78/21/69/525782169.db2.gz WDBIDCXLNVAJHM-UHFFFAOYSA-N 0 0 492.630 4.216 50 0 JIAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033273261 525782515 /nfs/dbraw/zinc/78/25/15/525782515.db2.gz TTXSYJROGPKMIP-UHFFFAOYSA-N 0 0 477.011 4.321 50 0 JIAARN COc1cccc(C(=O)/N=c2\sccn2Cc2ccc(C(=O)NCc3ccc(F)cc3)o2)c1 ZINC000037436235 525782687 /nfs/dbraw/zinc/78/26/87/525782687.db2.gz IZMXQQIDTUDTJE-PNHLSOANSA-N 0 0 465.506 4.010 50 0 JIAARN COc1cccc(C(=O)CSc2nc3c4cccnc4sc3c(=O)n2C[C@H]2CCCO2)c1 ZINC000045924121 525784684 /nfs/dbraw/zinc/78/46/84/525784684.db2.gz HWCKZQINAZSIRJ-MRXNPFEDSA-N 0 0 467.572 4.169 50 0 JIAARN Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000022698281 525786110 /nfs/dbraw/zinc/78/61/10/525786110.db2.gz ACDSTCSZRMCSOQ-MHZLTWQESA-N 0 0 470.573 4.119 50 0 JIAARN COc1cccc(C(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)c1 ZINC000046122684 525800272 /nfs/dbraw/zinc/80/02/72/525800272.db2.gz OPPOXSZMLHOFRQ-HNNXBMFYSA-N 0 0 456.955 4.472 50 0 JIAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2c3ccccc3nc3c2CCCCC3)c(=O)n(-c2ccccc2)n1C ZINC000012461636 525852854 /nfs/dbraw/zinc/85/28/54/525852854.db2.gz ITALRMQXQXRHOG-LJQANCHMSA-N 0 0 498.583 4.486 50 0 JIAARN Cc1c(NC(=O)c2cccc(NC(=O)CCC(=O)c3cccs3)c2)c(=O)n(-c2ccccc2)n1C ZINC000008704880 525863476 /nfs/dbraw/zinc/86/34/76/525863476.db2.gz YPSQPOVKVNZLDL-UHFFFAOYSA-N 0 0 488.569 4.400 50 0 JIAARN Cc1ccc(-c2noc(-c3cccn(CC(=O)Nc4cccc(Br)c4)c3=O)n2)cc1 ZINC000023125858 525870815 /nfs/dbraw/zinc/87/08/15/525870815.db2.gz PVKGXYINVKUKSS-UHFFFAOYSA-N 0 0 465.307 4.275 50 0 JIAARN C[C@H](OC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)C(=O)Nc1c(F)cccc1F ZINC000018589512 525884927 /nfs/dbraw/zinc/88/49/27/525884927.db2.gz USECTVCEASNAIH-NSHDSACASA-N 0 0 475.498 4.035 50 0 JIAARN Cc1ccc(-c2noc([C@H]3CCCN3S(=O)(=O)c3ccc(Br)s3)n2)cc1 ZINC000065320694 525886554 /nfs/dbraw/zinc/88/65/54/525886554.db2.gz CSJRIAACKJIERP-CYBMUJFWSA-N 0 0 454.371 4.395 50 0 JIAARN Cc1ccc(-c2noc3c2ncn(CCC(=O)Nc2ccccc2Br)c3=O)cc1 ZINC000033128571 525886580 /nfs/dbraw/zinc/88/65/80/525886580.db2.gz QIWFTRZLAAJZLT-UHFFFAOYSA-N 0 0 453.296 4.151 50 0 JIAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000033302481 525896280 /nfs/dbraw/zinc/89/62/80/525896280.db2.gz NXJVHRFUYFQBSZ-IBGZPJMESA-N 0 0 476.577 4.428 50 0 JIAARN Cc1ccc(-n2c(S[C@H](C)C(=O)NC(=O)NC(C)C)nc3sc4c(c3c2=O)CCC4)c(C)c1 ZINC000016772569 525902605 /nfs/dbraw/zinc/90/26/05/525902605.db2.gz XLTONJMGEVCKLG-OAHLLOKOSA-N 0 0 484.647 4.268 50 0 JIAARN COc1cccc(CN(C(=O)c2oc3ccc(Br)cc3c2C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000008614311 525904874 /nfs/dbraw/zinc/90/48/74/525904874.db2.gz YSZYHXPTPPWTTE-QGZVFWFLSA-N 0 0 492.391 4.342 50 0 JIAARN COc1cccc(CN(Cc2nc(C(=O)NCC(C)C)co2)Cc2ccc3c(c2)OCO3)c1 ZINC000036068189 525927035 /nfs/dbraw/zinc/92/70/35/525927035.db2.gz RGFSOTAAEFVITC-UHFFFAOYSA-N 0 0 451.523 4.000 50 0 JIAARN Cc1ccc(-n2nc(C(=O)N[C@H](C)c3ccccc3)c(=O)n(Cc3ccccc3C)c2=O)cc1Cl ZINC000036089210 525928101 /nfs/dbraw/zinc/92/81/01/525928101.db2.gz RBQPMZPQKDFSHY-LJQANCHMSA-N 0 0 488.975 4.204 50 0 JIAARN COc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)c1OC ZINC000021857132 525929009 /nfs/dbraw/zinc/92/90/09/525929009.db2.gz ZECDDDWOKJQBPF-MHZLTWQESA-N 0 0 461.562 4.132 50 0 JIAARN COc1cccc(CN2CC(=O)N3C[C@H](c4ccccc4OC)c4c5ccccc5[nH]c4[C@@]3(C)C2=O)c1 ZINC000008789215 525932067 /nfs/dbraw/zinc/93/20/67/525932067.db2.gz IAVXFNXGVBXAJS-DJUQAAIZSA-N 0 0 495.579 4.417 50 0 biogenic JIAARN Cc1cn2c(nc(COc3cc(C)ccc3NC(=O)COc3ccccc3F)cc2=O)s1 ZINC000064976883 525941419 /nfs/dbraw/zinc/94/14/19/525941419.db2.gz ZAJRPISIDSBAEF-UHFFFAOYSA-N 0 0 453.495 4.108 50 0 JIAARN CSc1ccc(-c2nc3c(c(C(N)=O)n2)n(Cc2ccccc2)c(=O)n3-c2ccc(F)cc2)cc1 ZINC000064965866 525946698 /nfs/dbraw/zinc/94/66/98/525946698.db2.gz XRMSIYACGLNARD-UHFFFAOYSA-N 0 0 485.544 4.257 50 0 JIAARN CSc1ccc(-c2noc(Cn3c4ccccc4c(=O)n(Cc4ccc(C)cc4)c3=O)n2)cc1 ZINC000044166689 525948775 /nfs/dbraw/zinc/94/87/75/525948775.db2.gz FHIRKIGIGTWGGB-UHFFFAOYSA-N 0 0 470.554 4.340 50 0 JIAARN CSc1ccc(C(=O)COC(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1NC(C)=O ZINC000016815447 525950707 /nfs/dbraw/zinc/95/07/07/525950707.db2.gz LLIXUFPDUZAMGW-UHFFFAOYSA-N 0 0 465.453 4.162 50 0 JIAARN COc1cccc(CN2C[C@@H](OCc3c(C)noc3C)CN(CCCc3ccccc3)CC2=O)c1 ZINC000014744951 525958188 /nfs/dbraw/zinc/95/81/88/525958188.db2.gz ZIDKYQIINNNYRQ-SANMLTNESA-N 0 0 477.605 4.162 50 0 JIAARN COc1cccc(CNC(=O)C2CCN(c3cc(C)nc4cc(-c5ccccc5F)nn43)CC2)c1 ZINC000033275070 525966263 /nfs/dbraw/zinc/96/62/63/525966263.db2.gz ZTSCURSTAHXQQJ-UHFFFAOYSA-N 0 0 473.552 4.385 50 0 JIAARN COc1cccc(CNC(=O)CSc2nnc3c4ccccc4nc(-c4ccccc4)n23)c1OC ZINC000033328742 525974567 /nfs/dbraw/zinc/97/45/67/525974567.db2.gz QYYFKZIWXKICFL-UHFFFAOYSA-N 0 0 485.569 4.370 50 0 JIAARN COc1cccc(CNC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)c1 ZINC000033113355 525979759 /nfs/dbraw/zinc/97/97/59/525979759.db2.gz IOHSBOLYKREQTC-GOSISDBHSA-N 0 0 465.579 4.197 50 0 JIAARN COc1cccc(CNC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)c1 ZINC000033113356 525983234 /nfs/dbraw/zinc/98/32/34/525983234.db2.gz IOHSBOLYKREQTC-SFHVURJKSA-N 0 0 465.579 4.197 50 0 JIAARN CSc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)C2)cc1 ZINC000085621591 526000244 /nfs/dbraw/zinc/00/02/44/526000244.db2.gz XQTXJCZHFIDYNB-IBGZPJMESA-N 0 0 471.623 4.087 50 0 JIAARN COc1cccc(CNC(=O)[C@H]2CCCN(c3nn4cc(-c5ccc(C)cc5)nc4s3)C2)c1 ZINC000008591166 526001096 /nfs/dbraw/zinc/00/10/96/526001096.db2.gz PDCHSNIFPRGCHU-FQEVSTJZSA-N 0 0 461.591 4.308 50 0 JIAARN C[C@@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000017749635 526004779 /nfs/dbraw/zinc/00/47/79/526004779.db2.gz DKXKWRSTZWINNL-OAHLLOKOSA-N 0 0 474.583 4.120 50 0 JIAARN C[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000016766564 526008251 /nfs/dbraw/zinc/00/82/51/526008251.db2.gz FLEYZQHMQGIIQO-JTQLQIEISA-N 0 0 487.053 4.083 50 0 JIAARN CSc1ccc(Cl)c(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)c1 ZINC000012371880 526011458 /nfs/dbraw/zinc/01/14/58/526011458.db2.gz LVPMBBYJQQNHBT-UHFFFAOYSA-N 0 0 475.401 4.224 50 0 JIAARN CSc1ccc(N2C[C@@H](c3nnc(NC(=O)COc4ccc(C(C)C)cc4)o3)CC2=O)cc1 ZINC000033291381 526021764 /nfs/dbraw/zinc/02/17/64/526021764.db2.gz OHCHWSFIEVENQI-KRWDZBQOSA-N 0 0 466.563 4.453 50 0 JIAARN COc1cccc(CNS(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(=O)C3CC3)s2)c1 ZINC000033306641 526028293 /nfs/dbraw/zinc/02/82/93/526028293.db2.gz SMSQPVQVLDIRTE-CSKARUKUSA-N 0 0 473.576 4.051 50 0 JIAARN Cc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)CC(C)C)cc1 ZINC000036069415 526069801 /nfs/dbraw/zinc/06/98/01/526069801.db2.gz PVIATVYBMWLBBL-UHFFFAOYSA-N 0 0 485.632 4.207 50 0 JIAARN COc1cccc(C[C@@H](C2CCN(C(=O)c3ccoc3C)CC2)N(C)C(=O)c2cccnc2)c1 ZINC000014883250 526071999 /nfs/dbraw/zinc/07/19/99/526071999.db2.gz NQHHJWRFCAZUMP-VWLOTQADSA-N 0 0 461.562 4.227 50 0 JIAARN COc1cccc(C[C@H](C2CCN(C(=O)Cc3ccc(F)cc3)CC2)N(C)C(=O)c2cccnc2)c1 ZINC000012245692 526076972 /nfs/dbraw/zinc/07/69/72/526076972.db2.gz CDVXSCXHFLCDNU-HHHXNRCGSA-N 0 0 489.591 4.394 50 0 JIAARN Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)NCCO)cc1 ZINC000002677899 526077580 /nfs/dbraw/zinc/07/75/80/526077580.db2.gz RDMIOVNGOHMGRO-DEDYPNTBSA-N 0 0 459.329 4.441 50 0 JIAARN Cc1cc(=O)c(C(=O)N2CCOCC2)c2n1-c1ccccc1S[C@@H](c1ccc(F)cc1F)C2 ZINC000014963366 526126974 /nfs/dbraw/zinc/12/69/74/526126974.db2.gz IMTFDWAMKGTGRU-HSZRJFAPSA-N 0 0 468.525 4.286 50 0 JIAARN Cc1cc(=O)c(C(=O)NC[C@@H](C)O)c2n1-c1ccc(Cl)cc1S[C@H](c1ccsc1)C2 ZINC000014879610 526128997 /nfs/dbraw/zinc/12/89/97/526128997.db2.gz XTROSPYZKWVADP-YJYMSZOUSA-N 0 0 461.008 4.361 50 0 JIAARN Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000034724056 526136154 /nfs/dbraw/zinc/13/61/54/526136154.db2.gz FZIKHFAGEIXGPD-HDICACEKSA-N 0 0 455.986 4.313 50 0 JIAARN 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Cc1nn(C)c2nc(C)cc(C3N=NC(=S)N3c3cnn(Cc4cccc(Cl)c4)c3)c12 ZINC000022531132 527683269 /nfs/dbraw/zinc/68/32/69/527683269.db2.gz QVXFPSOFHWQFEZ-UHFFFAOYSA-N 0 0 450.959 4.020 50 0 JIAARN COCCCN1C(=O)C(Nc2ccc(F)cc2)=C(Sc2cccc(NC(=O)c3ccco3)c2)C1=O ZINC000096290964 536539944 /nfs/dbraw/zinc/53/99/44/536539944.db2.gz YKONAVDASMVAPG-UHFFFAOYSA-N 0 0 495.532 4.492 50 0 JIAARN COc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000096322653 537124755 /nfs/dbraw/zinc/12/47/55/537124755.db2.gz VECCJDXNOHGLBQ-UHFFFAOYSA-N 0 0 492.022 4.173 50 0 JIAARN CCOc1c(Br)cc(CNc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1OC ZINC000000623995 553712859 /nfs/dbraw/zinc/71/28/59/553712859.db2.gz CIBOQVHPGPTWGU-UHFFFAOYSA-N 0 0 462.388 4.137 50 0 JIAARN Cn1c2nc(Br)n(Cc3ccc(Cl)cc3)c2c(=O)n(Cc2ccc(Cl)cc2)c1=O ZINC000000626307 553714350 /nfs/dbraw/zinc/71/43/50/553714350.db2.gz OGNIOKPWPMOCDG-UHFFFAOYSA-N 0 0 494.176 4.063 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000000628164 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WLEBYNFDFOIYLG-UHFFFAOYSA-N 0 0 478.412 4.447 50 0 JIAARN COc1cc(Br)cc2cc(C(=O)N3CCN(c4ccc(C)c(Cl)c4)CC3)c(=O)oc21 ZINC000000644550 553725757 /nfs/dbraw/zinc/72/57/57/553725757.db2.gz OSINLJVOPJTGKG-UHFFFAOYSA-N 0 0 491.769 4.488 50 0 JIAARN COc1ccc(OC)c(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000647843 553728748 /nfs/dbraw/zinc/72/87/48/553728748.db2.gz FXSYUCWNWHYXLL-UHFFFAOYSA-N 0 0 454.548 4.155 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1c(Cl)c(C)nn1C)CCCCC2 ZINC000000649411 553730835 /nfs/dbraw/zinc/73/08/35/553730835.db2.gz PSPHJQXMHMKZBP-UHFFFAOYSA-N 0 0 455.005 4.016 50 0 JIAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1cc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1 ZINC000000672131 553745901 /nfs/dbraw/zinc/74/59/01/553745901.db2.gz OEJWXOOGTIOYPB-UHFFFAOYSA-N 0 0 456.472 4.346 50 0 JIAARN Cc1c(CNC(=O)c2nn3c(c2Cl)N[C@H](c2cccs2)C[C@H]3C(F)(F)F)cnn1C ZINC000000674173 553747491 /nfs/dbraw/zinc/74/74/91/553747491.db2.gz QMJZPPZJLIRXPU-AAEUAGOBSA-N 0 0 458.897 4.230 50 0 JIAARN Cc1c(CNC(=O)c2nn3c(c2Cl)N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)cnn1C ZINC000000674174 553747582 /nfs/dbraw/zinc/74/75/82/553747582.db2.gz QMJZPPZJLIRXPU-YPMHNXCESA-N 0 0 458.897 4.230 50 0 JIAARN COc1ccc(CNC(=O)c2cnn3c2N[C@@H](c2ccc(OC)c(OC)c2)C[C@H]3C(F)(F)F)cc1 ZINC000000674302 553747834 /nfs/dbraw/zinc/74/78/34/553747834.db2.gz CQPMIOATCKLAOV-NQIIRXRSSA-N 0 0 490.482 4.499 50 0 JIAARN COc1cc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCCCC4)c3N2)cc(OC)c1OC ZINC000000675070 553749007 /nfs/dbraw/zinc/74/90/07/553749007.db2.gz HGICTDPBHSPKRK-YJBOKZPZSA-N 0 0 468.476 4.195 50 0 JIAARN COc1ccc(Br)c([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)c1 ZINC000000683336 553754618 /nfs/dbraw/zinc/75/46/18/553754618.db2.gz XUOVFOCYULWRRM-IBGZPJMESA-N 0 0 473.352 4.476 50 0 JIAARN CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(SC)c1 ZINC000000687400 553757065 /nfs/dbraw/zinc/75/70/65/553757065.db2.gz BIZKPEUBZYPOPU-UHFFFAOYSA-N 0 0 476.027 4.334 50 0 JIAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000000694963 553759929 /nfs/dbraw/zinc/75/99/29/553759929.db2.gz BNWMHTUELJFGAA-UHFFFAOYSA-N 0 0 471.026 4.157 50 0 JIAARN COc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OC(C)C)cc2)cc1Br ZINC000000717921 553769828 /nfs/dbraw/zinc/76/98/28/553769828.db2.gz XGWGIFLNPREJPJ-UHFFFAOYSA-N 0 0 451.342 4.150 50 0 JIAARN COc1cccc2cc(C(=O)NCCc3c(C)[nH]c4ccc(Br)cc43)c(=O)oc21 ZINC000000719805 553771486 /nfs/dbraw/zinc/77/14/86/553771486.db2.gz RALJCZKIMROZGB-UHFFFAOYSA-N 0 0 455.308 4.326 50 0 biogenic,in-vitro JIAARN COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC2CCCCCC2)cc(Br)c1O ZINC000000728161 553774803 /nfs/dbraw/zinc/77/48/03/553774803.db2.gz WJXTWRIYGOCABD-SFHVURJKSA-N 0 0 467.360 4.399 50 0 JIAARN COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)sc2c1CCCC2 ZINC000000729997 553775619 /nfs/dbraw/zinc/77/56/19/553775619.db2.gz DRKVHWNHYXKRJW-UHFFFAOYSA-N 0 0 484.368 4.454 50 0 JIAARN O=C(CN1CCCCC1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1nc2ccccc2[nH]1 ZINC000000755011 553777477 /nfs/dbraw/zinc/77/74/77/553777477.db2.gz LIVQCRLVWMQJAD-OAQYLSRUSA-N 0 0 466.383 4.489 50 0 JIAARN COC(=O)C1=CN(c2cccc(C(F)(F)F)c2)C=C(C(=O)OC)C1c1ccc2c(c1)OCO2 ZINC000000781623 553779938 /nfs/dbraw/zinc/77/99/38/553779938.db2.gz FIOGPIABQKQIKR-UHFFFAOYSA-N 0 0 461.392 4.152 50 0 JIAARN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C)cc2)cc1 ZINC000000784231 553780434 /nfs/dbraw/zinc/78/04/34/553780434.db2.gz YSRDBCDFEPINID-UHFFFAOYSA-N 0 0 484.599 4.322 50 0 JIAARN Cn1nc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccc(Cl)cc3)c2)c2ccccc2c1=O ZINC000000794516 553782368 /nfs/dbraw/zinc/78/23/68/553782368.db2.gz AIUXULLIYBZXOR-UHFFFAOYSA-N 0 0 474.948 4.343 50 0 JIAARN COc1cccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000000817032 553785614 /nfs/dbraw/zinc/78/56/14/553785614.db2.gz LHBKHUMDVKGRJY-UHFFFAOYSA-N 0 0 460.939 4.191 50 0 JIAARN O=C(NC[C@H]1CCCO1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000000827085 553788851 /nfs/dbraw/zinc/78/88/51/553788851.db2.gz MHDMOYDLWNOVAF-SECBINFHSA-N 0 0 475.290 4.148 50 0 JIAARN CC(=O)Nc1ccc(NC(=S)N[C@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1 ZINC000000836753 553792105 /nfs/dbraw/zinc/79/21/05/553792105.db2.gz GRLPTCUOQVXKKD-KRWDZBQOSA-N 0 0 473.813 4.366 50 0 JIAARN COc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(F)cc2)C(Cl)(Cl)Cl)cc1OC ZINC000000836991 553792294 /nfs/dbraw/zinc/79/22/94/553792294.db2.gz BSQOHXFECLDBIU-MRXNPFEDSA-N 0 0 480.776 4.256 50 0 JIAARN COc1ccc(CNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000000840238 553793169 /nfs/dbraw/zinc/79/31/69/553793169.db2.gz OPWLFOIZEHEAQX-UHFFFAOYSA-N 0 0 452.576 4.208 50 0 JIAARN CC(=O)CC(C)(C)S(=O)(=O)c1ccc(Cc2ccc(S(=O)(=O)C(C)(C)CC(C)=O)cc2)cc1 ZINC000000859527 553801696 /nfs/dbraw/zinc/80/16/96/553801696.db2.gz PJDRKKBSANUIOR-UHFFFAOYSA-N 0 0 492.659 4.340 50 0 JIAARN CC[C@H](C)NC(=O)c1cnn2c1N[C@H](c1cc(OC)c(OC)c(OC)c1)C[C@H]2C(F)(F)F ZINC000000866737 553805972 /nfs/dbraw/zinc/80/59/72/553805972.db2.gz GINCKGZIJXUHEG-YLVFBTJISA-N 0 0 456.465 4.098 50 0 JIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 ZINC000000877912 553813926 /nfs/dbraw/zinc/81/39/26/553813926.db2.gz LDGAXVBCSNSHKK-UHFFFAOYSA-N 0 0 473.558 4.296 50 0 JIAARN COc1cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc(OC)c1OC ZINC000000881738 553818772 /nfs/dbraw/zinc/81/87/72/553818772.db2.gz BIUQAYTWZVDIEI-UHFFFAOYSA-N 0 0 479.514 4.353 50 0 JIAARN COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccc(OC)c(OC)c4)c3n2)c1 ZINC000000883761 553820480 /nfs/dbraw/zinc/82/04/80/553820480.db2.gz CKAYZXHHFNJVFK-UHFFFAOYSA-N 0 0 486.450 4.371 50 0 JIAARN COc1ccc(CNC(=O)c2cnn3c2N[C@H](c2cccc(OC)c2)C[C@@H]3C(F)(F)F)cc1 ZINC000000884265 553822027 /nfs/dbraw/zinc/82/20/27/553822027.db2.gz JYGZHURTSQZMSV-VQTJNVASSA-N 0 0 460.456 4.491 50 0 JIAARN COc1ccccc1NC(=O)CSc1nnc(CNc2ccc(C)cc2C)n1C[C@H]1CCCO1 ZINC000000923533 553858268 /nfs/dbraw/zinc/85/82/68/553858268.db2.gz YOCOFNKEQHPYKU-LJQANCHMSA-N 0 0 481.622 4.425 50 0 JIAARN CC1=C(C(N)=O)[C@@H](c2ccc(OCc3ccccc3)cc2)N2NC(c3ccccc3Cl)=NC2=N1 ZINC000000940713 553876408 /nfs/dbraw/zinc/87/64/08/553876408.db2.gz GXTNVZCDKNSXQB-HSZRJFAPSA-N 0 0 471.948 4.356 50 0 JIAARN CCOC(=O)c1c(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)sc2c1CCC2 ZINC000000951147 553881286 /nfs/dbraw/zinc/88/12/86/553881286.db2.gz SGAMBGBNTSKYBC-UHFFFAOYSA-N 0 0 460.511 4.466 50 0 JIAARN CCc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1C)C2=O ZINC000000952512 553881810 /nfs/dbraw/zinc/88/18/10/553881810.db2.gz WHANCIVAWBQXNW-UHFFFAOYSA-N 0 0 456.498 4.462 50 0 JIAARN Cc1ccc(COc2ccc([C@@H]3C(C(=O)Nc4ccccc4)=C(C)Nc4nnnn43)cc2)cc1 ZINC000000956271 553883988 /nfs/dbraw/zinc/88/39/88/553883988.db2.gz QWWZGLILUSHLKT-XMMPIXPASA-N 0 0 452.518 4.488 50 0 JIAARN Cc1cc(C)nc(SC2=C(NCc3ccc(Cl)cc3)C(=O)N(Cc3ccccc3)C2=O)n1 ZINC000000959910 553886123 /nfs/dbraw/zinc/88/61/23/553886123.db2.gz OWBUHACAHWFLKD-UHFFFAOYSA-N 0 0 464.978 4.409 50 0 JIAARN CCOc1ccc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000000972231 553887817 /nfs/dbraw/zinc/88/78/17/553887817.db2.gz CQWAQOJXLRLGQV-UHFFFAOYSA-N 0 0 454.548 4.236 50 0 JIAARN COc1ccc(OC)c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000000972399 553887842 /nfs/dbraw/zinc/88/78/42/553887842.db2.gz WPYLCDHQMCAHBB-UHFFFAOYSA-N 0 0 460.939 4.191 50 0 JIAARN COc1ccc(/C=C2/N=C(c3cc(I)ccc3Cl)OC2=O)cc1OC ZINC000000975643 553888439 /nfs/dbraw/zinc/88/84/39/553888439.db2.gz FPEXZGLQMZMFFU-VGOFMYFVSA-N 0 0 469.662 4.306 50 0 JIAARN CCN(CC)C(=O)c1sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(C(=O)OC(C)C)c1C ZINC000000995949 553897570 /nfs/dbraw/zinc/89/75/70/553897570.db2.gz XXSZMBZMKHJPGA-PKNBQFBNSA-N 0 0 472.563 4.484 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000001057564 553901730 /nfs/dbraw/zinc/90/17/30/553901730.db2.gz ZHEYGLNXALIIND-UHFFFAOYSA-N 0 0 487.585 4.207 50 0 JIAARN O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NC1CCCCC1 ZINC000001167824 553921557 /nfs/dbraw/zinc/92/15/57/553921557.db2.gz FXRGKXFASXLCGY-UHFFFAOYSA-N 0 0 465.413 4.089 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)cc1 ZINC000001218222 553933892 /nfs/dbraw/zinc/93/38/92/553933892.db2.gz FBPKQNSCINKJNZ-KRWDZBQOSA-N 0 0 450.720 4.378 50 0 JIAARN Cc1ccc(C(=O)NC2CCCCC2)cc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O ZINC000001953957 554007159 /nfs/dbraw/zinc/00/71/59/554007159.db2.gz IOJXEYKSWJTDDQ-UHFFFAOYSA-N 0 0 451.954 4.489 50 0 JIAARN COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc(C)cc3)cc21 ZINC000002061438 554017742 /nfs/dbraw/zinc/01/77/42/554017742.db2.gz KGAHMOYWLJEBNI-UHFFFAOYSA-N 0 0 464.499 4.267 50 0 JIAARN CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)cc(C)c12 ZINC000002093063 554036761 /nfs/dbraw/zinc/03/67/61/554036761.db2.gz GMSZDLULZRQTCP-IBGZPJMESA-N 0 0 457.548 4.161 50 0 biogenic JIAARN O=C1CN(C[C@@H](O)c2ccccc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](CCc3ccccc3)N12 ZINC000002094350 554038121 /nfs/dbraw/zinc/03/81/21/554038121.db2.gz VWBDAIDVIJWGOX-KWXIBIRDSA-N 0 0 479.580 4.171 50 0 biogenic JIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N32)c1 ZINC000002102560 554043251 /nfs/dbraw/zinc/04/32/51/554043251.db2.gz UXESKHYWWLQBOS-IGKIAQTJSA-N 0 0 451.526 4.062 50 0 biogenic JIAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N23)c1 ZINC000002102562 554043313 /nfs/dbraw/zinc/04/33/13/554043313.db2.gz UXESKHYWWLQBOS-RPLLCQBOSA-N 0 0 451.526 4.062 50 0 biogenic JIAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccc(F)cc4)CC(=O)N23)c1 ZINC000002103136 554043569 /nfs/dbraw/zinc/04/35/69/554043569.db2.gz DFYSEPMXUCYDJQ-LBNVMWSVSA-N 0 0 483.543 4.243 50 0 biogenic JIAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCCc3ccccc3)CC(=O)N12 ZINC000002109046 554048793 /nfs/dbraw/zinc/04/87/93/554048793.db2.gz SPIGCRCQBZQDOP-ABYGYWHVSA-N 0 0 479.580 4.494 50 0 biogenic JIAARN Cc1oc2c(cc3c(C)c(CC(=O)N4CCC(C(N)=O)CC4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000002117888 554054162 /nfs/dbraw/zinc/05/41/62/554054162.db2.gz KWMBXDXVAIDUMA-UHFFFAOYSA-N 0 0 472.541 4.398 50 0 biogenic JIAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc(Br)cc3)c(C)c2oc1=O ZINC000002145386 554065925 /nfs/dbraw/zinc/06/59/25/554065925.db2.gz BXACRHKZAPVSOV-UHFFFAOYSA-N 0 0 459.292 4.150 50 0 biogenic JIAARN CCc1cc(=O)oc2cc(OC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc12 ZINC000002148714 554068080 /nfs/dbraw/zinc/06/80/80/554068080.db2.gz IQSHWVGUUKKJAR-VWLOTQADSA-N 0 0 477.538 4.289 50 0 biogenic JIAARN COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(C)cc4)CC(=O)N32)cc1 ZINC000002150498 554069331 /nfs/dbraw/zinc/06/93/31/554069331.db2.gz UGSCFZMIWBFQAK-LSYYVWMOSA-N 0 0 493.563 4.148 50 0 biogenic JIAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1 ZINC000002151864 554070233 /nfs/dbraw/zinc/07/02/33/554070233.db2.gz GQADJEOUCQOSLA-QRQCRPRQSA-N 0 0 457.548 4.017 50 0 biogenic JIAARN COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4F)CC(=O)N32)c1 ZINC000002153472 554071465 /nfs/dbraw/zinc/07/14/65/554071465.db2.gz ZMCMBNORIGOYGJ-CUBQBAPOSA-N 0 0 499.542 4.209 50 0 biogenic JIAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000002158135 554073430 /nfs/dbraw/zinc/07/34/30/554073430.db2.gz FTAUTOFBCQPHPO-FUHWJXTLSA-N 0 0 479.627 4.488 50 0 biogenic JIAARN CCN(CC)C(=O)CN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)C1=O ZINC000002190895 554085800 /nfs/dbraw/zinc/08/58/00/554085800.db2.gz VXTSETFOPJGAAP-HHHXNRCGSA-N 0 0 488.975 4.480 50 0 JIAARN COc1cccc(N2CCN(C(=O)c3cnn4c3N[C@@H](c3ccco3)C[C@H]4C(F)(F)F)CC2)c1 ZINC000002194671 554088664 /nfs/dbraw/zinc/08/86/64/554088664.db2.gz BZZBSTSWUJILQC-QUCCMNQESA-N 0 0 475.471 4.107 50 0 JIAARN CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1cccnc1 ZINC000002207706 554093460 /nfs/dbraw/zinc/09/34/60/554093460.db2.gz FAISSUDVMVRSQM-UHFFFAOYSA-N 0 0 454.300 4.132 50 0 JIAARN Cc1ccc(CS(=O)(=O)c2nnc([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)o2)cc1 ZINC000002210108 554094767 /nfs/dbraw/zinc/09/47/67/554094767.db2.gz APEXPYCDYHKZTH-IBGZPJMESA-N 0 0 457.552 4.160 50 0 JIAARN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccccc5O)c(=O)n42)c2ccccc2CC3)cc1 ZINC000002223464 554102204 /nfs/dbraw/zinc/10/22/04/554102204.db2.gz ICPIYDKSLVZZKQ-GTWFGUSFSA-N 0 0 466.562 4.033 50 0 JIAARN O=C(/C=C/c1ccccc1)Nc1nnc(SCC(=O)NCCOc2ccc(Cl)cc2)s1 ZINC000002230420 554105131 /nfs/dbraw/zinc/10/51/31/554105131.db2.gz UQBYURBRMLURCE-IZZDOVSWSA-N 0 0 474.995 4.131 50 0 JIAARN COc1ccc(-n2c(N)c(C(=O)NCc3ccc(F)cc3)c3nc4ccccc4nc32)cc1OC ZINC000002235275 554107226 /nfs/dbraw/zinc/10/72/26/554107226.db2.gz LLTIXUOHALRUMZ-UHFFFAOYSA-N 0 0 471.492 4.242 50 0 JIAARN Nc1c(S(=O)(=O)c2cc(Cl)ccc2Cl)c2nc3ccccc3nc2n1C[C@@H]1CCCO1 ZINC000002244801 554110527 /nfs/dbraw/zinc/11/05/27/554110527.db2.gz UGHZUYNWEMZOEI-ZDUSSCGKSA-N 0 0 477.373 4.485 50 0 JIAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cc(OC)c(OC)c(OC)c3)N2C1=O ZINC000002249808 554114164 /nfs/dbraw/zinc/11/41/64/554114164.db2.gz SUUGFPREGXKVQM-IRLDBZIGSA-N 0 0 496.585 4.495 50 0 JIAARN COc1ccc(CCn2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)cc1OC ZINC000002256195 554118908 /nfs/dbraw/zinc/11/89/08/554118908.db2.gz QCTNNVWYSJXAOL-UHFFFAOYSA-N 0 0 459.550 4.099 50 0 JIAARN CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)n2N)c1 ZINC000002264422 554124164 /nfs/dbraw/zinc/12/41/64/554124164.db2.gz DYHBBBGVJBHSCD-UHFFFAOYSA-N 0 0 475.574 4.367 50 0 JIAARN S=C1N[C@H](c2ccc(Br)cc2)N2C(=S)N[C@H](c3ccc(Br)cc3)N12 ZINC000002288296 554134059 /nfs/dbraw/zinc/13/40/59/554134059.db2.gz XMCHTSJFVOZFRU-KBPBESRZSA-N 0 0 484.242 4.204 50 0 JIAARN Cc1ccccc1-n1c(N)c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002289833 554134290 /nfs/dbraw/zinc/13/42/90/554134290.db2.gz DCCQXVFXLOYAOU-UHFFFAOYSA-N 0 0 451.486 4.123 50 0 JIAARN Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1-c1cccc(C(F)(F)F)c1 ZINC000002291150 554135197 /nfs/dbraw/zinc/13/51/97/554135197.db2.gz BGHWRCCOTDWHEM-OAHLLOKOSA-N 0 0 455.440 4.084 50 0 JIAARN COc1ccccc1CNC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002291586 554135694 /nfs/dbraw/zinc/13/56/94/554135694.db2.gz GRRVLMIRFHPACN-UHFFFAOYSA-N 0 0 451.530 4.348 50 0 JIAARN COc1cc2nc(-c3ccccc3)nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2cc1OC ZINC000002331355 554151700 /nfs/dbraw/zinc/15/17/00/554151700.db2.gz OCFWVJMNDUKAAG-UHFFFAOYSA-N 0 0 484.556 4.365 50 0 JIAARN COCCCn1c(N)c(S(=O)(=O)c2cc(Cl)ccc2Cl)c2nc3ccccc3nc21 ZINC000002333674 554152821 /nfs/dbraw/zinc/15/28/21/554152821.db2.gz ZPXYTHYKWWKKEO-UHFFFAOYSA-N 0 0 465.362 4.343 50 0 JIAARN CCn1c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2c2sc3c(c2c1=O)CCCC3 ZINC000002337077 554154566 /nfs/dbraw/zinc/15/45/66/554154566.db2.gz CTHAWHWQAAQTQS-UHFFFAOYSA-N 0 0 474.011 4.389 50 0 JIAARN CCc1ccc(NC(=S)N2CCNC(=O)[C@@H]2CC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000002340826 554155988 /nfs/dbraw/zinc/15/59/88/554155988.db2.gz NDNUXXJXOZYSBU-KRWDZBQOSA-N 0 0 465.406 4.082 50 0 JIAARN CNC(=O)c1c(NC(=O)c2sc(=S)n(-c3ccc(OC)cc3)c2N)sc2c1CCCC2 ZINC000002344516 554157871 /nfs/dbraw/zinc/15/78/71/554157871.db2.gz PCKNNWLHMMPNTC-UHFFFAOYSA-N 0 0 474.633 4.411 50 0 JIAARN COc1ccc(-n2c(SCC(=O)Nc3cc(OC)cc(OC)c3)nnc2-c2ccccn2)cc1 ZINC000002347325 554159657 /nfs/dbraw/zinc/15/96/57/554159657.db2.gz HNIKSWOBPHXIDA-UHFFFAOYSA-N 0 0 477.546 4.086 50 0 JIAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)c(Cl)c1 ZINC000002349044 554160493 /nfs/dbraw/zinc/16/04/93/554160493.db2.gz KHDLYYNFWZLJQK-UHFFFAOYSA-N 0 0 454.943 4.377 50 0 JIAARN COc1cc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)ccc1OCc1ccccc1 ZINC000002351883 554161888 /nfs/dbraw/zinc/16/18/88/554161888.db2.gz UEBKJXDFYZEVNK-HAHDFKILSA-N 0 0 455.539 4.262 50 0 JIAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)n2N)cc1 ZINC000002361277 554165916 /nfs/dbraw/zinc/16/59/16/554165916.db2.gz UYMMTUAYRAUHTL-UHFFFAOYSA-N 0 0 460.401 4.450 50 0 JIAARN Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000002362773 554166530 /nfs/dbraw/zinc/16/65/30/554166530.db2.gz VNNMDLXHBZMVQV-RJESQKRESA-N 0 0 471.944 4.233 50 0 JIAARN COc1cc(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)ccc1OCc1ccccc1 ZINC000002369026 554169331 /nfs/dbraw/zinc/16/93/31/554169331.db2.gz SMMIWPHOGIZDHF-HAHDFKILSA-N 0 0 455.539 4.262 50 0 JIAARN COc1ccc(CCn2cc3c(c2-c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n3C)cc1OC ZINC000002377166 554174016 /nfs/dbraw/zinc/17/40/16/554174016.db2.gz OIEVSWRIVGZTFX-UHFFFAOYSA-N 0 0 475.589 4.263 50 0 JIAARN Cc1ccc(S(=O)(=O)c2c(N)n(NC(=O)c3cccc(Cl)c3)c3nc4ccccc4nc32)cc1 ZINC000002378146 554174707 /nfs/dbraw/zinc/17/47/07/554174707.db2.gz CTBSTRIUJPVIGX-UHFFFAOYSA-N 0 0 491.960 4.345 50 0 JIAARN CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)Nc4ccc(OC)cc4OC)nc(N)c23)CO1 ZINC000002391417 554179561 /nfs/dbraw/zinc/17/95/61/554179561.db2.gz KUQWDPPIOOOEPC-QFIPXVFZSA-N 0 0 474.608 4.263 50 0 JIAARN COc1ccc(CN2CN(S(=O)(=O)c3ccc(Cl)cc3)c3nc4ccccc4nc32)cc1 ZINC000002404481 554187708 /nfs/dbraw/zinc/18/77/08/554187708.db2.gz HHFQUTKHAWROCZ-UHFFFAOYSA-N 0 0 466.950 4.465 50 0 JIAARN COc1cccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3C=C(C#N)C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000002423160 554199499 /nfs/dbraw/zinc/19/94/99/554199499.db2.gz UATADZYKUJRVTI-VXNXHJTFSA-N 0 0 496.563 4.498 50 0 JIAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1 ZINC000002423578 554199881 /nfs/dbraw/zinc/19/98/81/554199881.db2.gz XTODNLQZUQXZFF-HNNXBMFYSA-N 0 0 461.943 4.448 50 0 JIAARN Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc5c(c4)OCCO5)n(Cc4ccccc4)c3nc12 ZINC000002442143 554210392 /nfs/dbraw/zinc/21/03/92/554210392.db2.gz FCCSEEASSQSHRL-UHFFFAOYSA-N 0 0 466.497 4.029 50 0 JIAARN CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 ZINC000002448856 554216097 /nfs/dbraw/zinc/21/60/97/554216097.db2.gz WBLNNAYXXBFOFY-UHFFFAOYSA-N 0 0 466.607 4.312 50 0 JIAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000002508703 554231219 /nfs/dbraw/zinc/23/12/19/554231219.db2.gz QXXSUVLTINNKOY-JOCHJYFZSA-N 0 0 452.532 4.097 50 0 JIAARN O=c1/c(=C\c2ccccc2Br)sc2nc(-c3ccc(Cl)cc3Cl)nn12 ZINC000002533324 554233556 /nfs/dbraw/zinc/23/35/56/554233556.db2.gz NHTPVARFDYIVPN-VGOFMYFVSA-N 0 0 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CC(C)[C@@H](NC(=O)c1cccs1)c1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C ZINC000008442094 554591606 /nfs/dbraw/zinc/59/16/06/554591606.db2.gz WKZSBPYHBMXSIX-QGZVFWFLSA-N 0 0 486.648 4.344 50 0 JIAARN O=C1C[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000008442955 554592727 /nfs/dbraw/zinc/59/27/27/554592727.db2.gz ZOGJMFMPMDVGNM-SFHVURJKSA-N 0 0 472.294 4.466 50 0 JIAARN C[C@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@@H]21 ZINC000008449953 554596175 /nfs/dbraw/zinc/59/61/75/554596175.db2.gz XJVIMQRMQYEWSQ-UQIDSAAFSA-N 0 0 482.330 4.190 50 0 JIAARN Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000008583453 554601271 /nfs/dbraw/zinc/60/12/71/554601271.db2.gz MCWNYIPHCGGILN-JGCGQSQUSA-N 0 0 472.010 4.209 50 0 JIAARN COc1cc(CN(C(=O)COc2ccc(Br)cc2)c2ccccn2)cc(OC)c1OC ZINC000008586679 554601452 /nfs/dbraw/zinc/60/14/52/554601452.db2.gz UJPAXOVHNINWHW-UHFFFAOYSA-N 0 0 487.350 4.482 50 0 JIAARN Cc1c(NC(=O)c2cccc(NC(=O)Cc3ccc4c(c3)CCC4)c2)c(=O)n(-c2ccccc2)n1C ZINC000008744970 554648266 /nfs/dbraw/zinc/64/82/66/554648266.db2.gz KTVVLNGODAZHMA-UHFFFAOYSA-N 0 0 480.568 4.407 50 0 JIAARN C[C@H](Nc1ccc(Oc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000008747359 554650633 /nfs/dbraw/zinc/65/06/33/554650633.db2.gz FALDDXVZIBDUMX-AWEZNQCLSA-N 0 0 490.379 4.328 50 0 JIAARN Cc1c(O)ccc2c(COC(=O)C[C@@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)cc(=O)oc12 ZINC000008749406 554651748 /nfs/dbraw/zinc/65/17/48/554651748.db2.gz ADPNCLWYFJDUBT-KRWDZBQOSA-N 0 0 479.432 4.372 50 0 JIAARN COc1ccc(C2=NN(c3nc(-c4cccc(O)c4)cs3)[C@](O)(C(F)(F)F)C2)c(OC)c1 ZINC000008753925 554655715 /nfs/dbraw/zinc/65/57/15/554655715.db2.gz MDINBFRZMJQALX-HXUWFJFHSA-N 0 0 465.453 4.398 50 0 JIAARN COc1cccc(NC(=O)[C@H](C)NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)c1 ZINC000008764549 554665085 /nfs/dbraw/zinc/66/50/85/554665085.db2.gz OIQMTJDZZGDMID-HFJWLAOPSA-N 0 0 489.572 4.397 50 0 biogenic JIAARN COc1cccc(NC(=O)Cn2c3sc4c(c3c(=O)n(C3CCCCC3)c2=O)CC(C)(C)OC4)c1 ZINC000008769953 554670303 /nfs/dbraw/zinc/67/03/03/554670303.db2.gz VTIOLXXZZPTTGZ-UHFFFAOYSA-N 0 0 497.617 4.229 50 0 JIAARN O=C(NCCc1c[nH]cn1)[C@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 ZINC000008775689 554674005 /nfs/dbraw/zinc/67/40/05/554674005.db2.gz QHJRQJPYCGKOAV-SFHVURJKSA-N 0 0 475.980 4.147 50 0 JIAARN CCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)C3CCC3)c2)cc1Br ZINC000008778969 554675708 /nfs/dbraw/zinc/67/57/08/554675708.db2.gz GHAHWDAZUSSOFZ-UHFFFAOYSA-N 0 0 453.358 4.387 50 0 JIAARN O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1nnc(C2CCCCC2)s1 ZINC000008784627 554680487 /nfs/dbraw/zinc/68/04/87/554680487.db2.gz JVZQEPJBFJGPRM-UHFFFAOYSA-N 0 0 461.638 4.493 50 0 JIAARN COc1ccc([C@H]2CN3C(=O)CN(CCc4ccccc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008789145 554681408 /nfs/dbraw/zinc/68/14/08/554681408.db2.gz SHSZRCNSXKUMDG-HLADLETHSA-N 0 0 479.580 4.451 50 0 biogenic JIAARN COc1ccc([C@@H]2CN3C(=O)CN(Cc4ccccc4OC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008789167 554681414 /nfs/dbraw/zinc/68/14/14/554681414.db2.gz IKZLMYGMULQBHO-JHOBJCJYSA-N 0 0 495.579 4.417 50 0 biogenic JIAARN CC(C)C[C@@H](C(=O)N(C)Cc1ccccc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789562 554682148 /nfs/dbraw/zinc/68/21/48/554682148.db2.gz SZBMAHJQIANFKW-FIPFOOKPSA-N 0 0 472.589 4.277 50 0 biogenic JIAARN CC[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000008791649 554684941 /nfs/dbraw/zinc/68/49/41/554684941.db2.gz PVGIVJHMYWKRAE-GFUVIIAASA-N 0 0 486.616 4.083 50 0 biogenic JIAARN COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c(OC)cc1NC(=O)c1ccccc1 ZINC000008816465 554698516 /nfs/dbraw/zinc/69/85/16/554698516.db2.gz NGNFAXDXZYBYEB-QGZVFWFLSA-N 0 0 477.492 4.087 50 0 JIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1 ZINC000008825199 554713146 /nfs/dbraw/zinc/71/31/46/554713146.db2.gz AKRUYHNYHFVTGN-SRGAATOTSA-N 0 0 474.557 4.312 50 0 JIAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000008826303 554715857 /nfs/dbraw/zinc/71/58/57/554715857.db2.gz DEEYXYZMGWEMJR-UHFFFAOYSA-N 0 0 480.977 4.254 50 0 JIAARN CSc1nsc(SC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(C)C ZINC000008829017 554719535 /nfs/dbraw/zinc/71/95/35/554719535.db2.gz QRKCGCNHZULPSK-KRWDZBQOSA-N 0 0 471.695 4.024 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000008839840 554739893 /nfs/dbraw/zinc/73/98/93/554739893.db2.gz XMHJELJAQVQDOZ-HSZRJFAPSA-N 0 0 476.558 4.030 50 0 JIAARN Cc1c(NC(=O)c2c(=O)n(C)nc(-c3ccccc3)c2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000008844332 554741337 /nfs/dbraw/zinc/74/13/37/554741337.db2.gz IWMYTRSBRXFNBT-UHFFFAOYSA-N 0 0 491.551 4.164 50 0 JIAARN CCCCOc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCOC)cc1OC ZINC000008845324 554742298 /nfs/dbraw/zinc/74/22/98/554742298.db2.gz HRXIQPSMIRHPNH-VWLOTQADSA-N 0 0 465.550 4.470 50 0 JIAARN O=C(Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2)c1cc(-c2ccccc2O)[nH]n1 ZINC000008845458 554742832 /nfs/dbraw/zinc/74/28/32/554742832.db2.gz TUIWXPRZGQNGNA-UHFFFAOYSA-N 0 0 473.558 4.300 50 0 JIAARN COc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1OC ZINC000008845776 554743673 /nfs/dbraw/zinc/74/36/73/554743673.db2.gz QXTDLYOKQDPJDJ-RUZDIDTESA-N 0 0 456.502 4.248 50 0 JIAARN Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n[nH]2)c1 ZINC000008845815 554743923 /nfs/dbraw/zinc/74/39/23/554743923.db2.gz HYZLXMMRZVCVOI-UHFFFAOYSA-N 0 0 468.579 4.072 50 0 JIAARN CCOc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2)cc1 ZINC000008850593 554747679 /nfs/dbraw/zinc/74/76/79/554747679.db2.gz HJMGWWBZLPFRDR-UHFFFAOYSA-N 0 0 484.603 4.412 50 0 JIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(NC(C)=O)c3)cs2)c1 ZINC000008851245 554748054 /nfs/dbraw/zinc/74/80/54/554748054.db2.gz PSURYWSOIKYDBS-UHFFFAOYSA-N 0 0 470.576 4.022 50 0 JIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(OC)c(OC)c3)cs2)cc1 ZINC000008851575 554748351 /nfs/dbraw/zinc/74/83/51/554748351.db2.gz XSEPNQJVFIMETG-UHFFFAOYSA-N 0 0 473.576 4.081 50 0 JIAARN COc1ccc(OC)c(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)c1 ZINC000008852063 554748756 /nfs/dbraw/zinc/74/87/56/554748756.db2.gz QLLWIJIFIRECJS-UHFFFAOYSA-N 0 0 461.540 4.211 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2CCCO)cc1 ZINC000008853967 554749819 /nfs/dbraw/zinc/74/98/19/554749819.db2.gz FHTAJYDIZMSMHS-GYHWCHFESA-N 0 0 463.600 4.001 50 0 JIAARN CCNC(=O)NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 ZINC000008860866 554757501 /nfs/dbraw/zinc/75/75/01/554757501.db2.gz JONXZJCBYCMBPO-FQEVSTJZSA-N 0 0 461.547 4.266 50 0 JIAARN Nn1c(COc2cccc(Br)c2)nnc1SCc1cc(Cl)c2c(c1)OCCO2 ZINC000008862444 554760427 /nfs/dbraw/zinc/76/04/27/554760427.db2.gz SQSZSTHHPFBDHM-UHFFFAOYSA-N 0 0 483.775 4.050 50 0 JIAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)COc3ccccc3-4)cc2)CC1 ZINC000008872556 554769282 /nfs/dbraw/zinc/76/92/82/554769282.db2.gz ZJWXEQBGMHQNCM-UHFFFAOYSA-N 0 0 469.588 4.375 50 0 JIAARN NC(=O)c1ccc(NC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000008879856 554775433 /nfs/dbraw/zinc/77/54/33/554775433.db2.gz HJWUEJZHTMFFLJ-UHFFFAOYSA-N 0 0 463.603 4.215 50 0 JIAARN COc1ccc([C@@H](NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc2)cc1 ZINC000008882585 554777376 /nfs/dbraw/zinc/77/73/76/554777376.db2.gz LRXBEGZZLBVSHD-MHZLTWQESA-N 0 0 463.622 4.015 50 0 JIAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)Cc1c[nH]c2ccccc12 ZINC000008884148 554778659 /nfs/dbraw/zinc/77/86/59/554778659.db2.gz COABDMCGZUVMGH-UHFFFAOYSA-N 0 0 452.488 4.391 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)cc1 ZINC000008893033 554781637 /nfs/dbraw/zinc/78/16/37/554781637.db2.gz JYWMXNRIYFGSRM-UHFFFAOYSA-N 0 0 487.585 4.398 50 0 JIAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)s2)cc1 ZINC000008896417 554786155 /nfs/dbraw/zinc/78/61/55/554786155.db2.gz SVWHFWOQHJWUBC-UHFFFAOYSA-N 0 0 489.648 4.105 50 0 JIAARN O=C(CSc1ccc2ccccc2n1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000008896512 554786373 /nfs/dbraw/zinc/78/63/73/554786373.db2.gz DWWLVQKYNZHCFD-UHFFFAOYSA-N 0 0 461.996 4.404 50 0 JIAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccc(N2CCOCC2)cc1 ZINC000008896767 554786822 /nfs/dbraw/zinc/78/68/22/554786822.db2.gz RMVJVDOVINVLNL-UHFFFAOYSA-N 0 0 475.574 4.154 50 0 JIAARN Cc1nnc(SCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)n1-c1ccccc1 ZINC000008897604 554787963 /nfs/dbraw/zinc/78/79/63/554787963.db2.gz WJOWWAGVZPEFFB-UHFFFAOYSA-N 0 0 471.586 4.279 50 0 JIAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccccc2)s1 ZINC000008912454 554802675 /nfs/dbraw/zinc/80/26/75/554802675.db2.gz INZNQOIHMUNNQQ-UHFFFAOYSA-N 0 0 456.998 4.035 50 0 JIAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCc2ccccc2OC)s1 ZINC000008912499 554802995 /nfs/dbraw/zinc/80/29/95/554802995.db2.gz LXPBWJLMEJPNPY-UHFFFAOYSA-N 0 0 494.660 4.131 50 0 JIAARN COc1cccc(N2CCN(c3nc(CSc4nc5ccccc5s4)cc(=O)[nH]3)CC2)c1 ZINC000008914818 554807962 /nfs/dbraw/zinc/80/79/62/554807962.db2.gz JKZZPXIFFNUZDJ-UHFFFAOYSA-N 0 0 465.604 4.007 50 0 JIAARN Cc1cc2oc(C(=O)N(Cc3ccc(C(C)C)cc3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2cc1C ZINC000008915630 554809567 /nfs/dbraw/zinc/80/95/67/554809567.db2.gz GLTPMHRGUXPZAQ-NRFANRHFSA-N 0 0 467.587 4.363 50 0 JIAARN COc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918737 554815492 /nfs/dbraw/zinc/81/54/92/554815492.db2.gz VFWZLFFNNBYVEO-UHFFFAOYSA-N 0 0 493.354 4.431 50 0 JIAARN COc1ccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918857 554815816 /nfs/dbraw/zinc/81/58/16/554815816.db2.gz DBFQWJMYEOHCEU-UHFFFAOYSA-N 0 0 478.929 4.330 50 0 JIAARN COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000008921906 554818873 /nfs/dbraw/zinc/81/88/73/554818873.db2.gz BEGXUWXGFDIWRM-BWAHOGKJSA-N 0 0 496.567 4.211 50 0 JIAARN CCOC(=O)C1(c2ccccc2)CCN(CC(=O)Nc2ccc(C)c(Br)c2)CC1 ZINC000008925893 554822041 /nfs/dbraw/zinc/82/20/41/554822041.db2.gz 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O=C(Nc1ccccc1I)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000008952498 554836271 /nfs/dbraw/zinc/83/62/71/554836271.db2.gz UVSZXSUXSSQAPT-NSHDSACASA-N 0 0 485.119 4.045 50 0 JIAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1 ZINC000008961061 554837497 /nfs/dbraw/zinc/83/74/97/554837497.db2.gz XKJMMNKNOHFDCN-UHFFFAOYSA-N 0 0 451.504 4.218 50 0 JIAARN COc1ccc(CN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)C2CC2)cc1 ZINC000008965598 554840347 /nfs/dbraw/zinc/84/03/47/554840347.db2.gz QOBNWPAXLDBOFO-UHFFFAOYSA-N 0 0 454.523 4.440 50 0 JIAARN O=S(=O)(NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccc(Cl)s1 ZINC000008968197 554842759 /nfs/dbraw/zinc/84/27/59/554842759.db2.gz PBLWDRXYYWNBRS-CYBMUJFWSA-N 0 0 466.002 4.096 50 0 JIAARN CCOc1ccc(CCNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OCC ZINC000009004817 554860146 /nfs/dbraw/zinc/86/01/46/554860146.db2.gz PJUOGIVWVCMVII-UHFFFAOYSA-N 0 0 477.586 4.281 50 0 JIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2CO)cc1 ZINC000009053038 554873066 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JIAARN Cc1ccc(-c2nc(SCC(=O)Nc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)n[nH]2)cc1 ZINC000009499998 555284720 /nfs/dbraw/zinc/28/47/20/555284720.db2.gz LCAHRYUIAIYNSY-UHFFFAOYSA-N 0 0 493.614 4.336 50 0 JIAARN Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2ncn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c12 ZINC000009500905 555285535 /nfs/dbraw/zinc/28/55/35/555285535.db2.gz WGNSVNXDWDTEDV-STQMWFEESA-N 0 0 490.988 4.316 50 0 JIAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000009502597 555287289 /nfs/dbraw/zinc/28/72/89/555287289.db2.gz CCCSKKIZQHUQIT-RUZDIDTESA-N 0 0 489.620 4.368 50 0 JIAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NC2CCC(C)CC2)CC1 ZINC000009502883 555287720 /nfs/dbraw/zinc/28/77/20/555287720.db2.gz VUYCGMTYARYEKZ-FMIVXFBMSA-N 0 0 489.613 4.388 50 0 JIAARN COc1ccc(OC)c(-c2csc(NC(=O)c3nn(C(C)C)c(=O)c4ccccc43)n2)c1 ZINC000009507307 555291624 /nfs/dbraw/zinc/29/16/24/555291624.db2.gz SZYFGCGGPMGYFD-UHFFFAOYSA-N 0 0 450.520 4.370 50 0 JIAARN COc1ccc(Cl)cc1-n1c(S[C@H](C)C(N)=O)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000009507399 555291826 /nfs/dbraw/zinc/29/18/26/555291826.db2.gz IBWZSMSTGAREJW-WDEREUQCSA-N 0 0 464.012 4.200 50 0 JIAARN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000009507444 555291991 /nfs/dbraw/zinc/29/19/91/555291991.db2.gz JMEYVPLWDUOBDR-UHFFFAOYSA-N 0 0 473.378 4.054 50 0 JIAARN COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2)c3=O)CC1 ZINC000009508705 555295257 /nfs/dbraw/zinc/29/52/57/555295257.db2.gz GXWFECCGHNXSQN-UHFFFAOYSA-N 0 0 472.570 4.019 50 0 JIAARN Cc1cccc(C)c1-n1c(SC[C@@H]2CCCCO2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC000009509221 555296759 /nfs/dbraw/zinc/29/67/59/555296759.db2.gz BTPBGKPYIODPCW-FQEVSTJZSA-N 0 0 486.663 4.463 50 0 JIAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000009509695 555297947 /nfs/dbraw/zinc/29/79/47/555297947.db2.gz GQXJXCXUDNIVHR-UHFFFAOYSA-N 0 0 486.977 4.192 50 0 JIAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1=O ZINC000009509809 555298162 /nfs/dbraw/zinc/29/81/62/555298162.db2.gz MMORIAMCVRPACM-MUUNZHRXSA-N 0 0 473.548 4.254 50 0 JIAARN NC(=O)c1c2c(sc1NC(=O)c1cccc(S(=O)(=O)N3CCCc4ccccc43)c1)CCCC2 ZINC000009509902 555298624 /nfs/dbraw/zinc/29/86/24/555298624.db2.gz HTZGZCXWBPWBRE-UHFFFAOYSA-N 0 0 495.626 4.120 50 0 JIAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000009510125 555299179 /nfs/dbraw/zinc/29/91/79/555299179.db2.gz CGGXOVWUFNAMLQ-UHFFFAOYSA-N 0 0 496.608 4.203 50 0 JIAARN COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCC2)c1 ZINC000009514242 555304613 /nfs/dbraw/zinc/30/46/13/555304613.db2.gz UIVYZDOGKCEGGE-UHFFFAOYSA-N 0 0 450.560 4.327 50 0 JIAARN COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1S(N)(=O)=O ZINC000009514754 555305689 /nfs/dbraw/zinc/30/56/89/555305689.db2.gz LBLQSTDOSZCDIA-UHFFFAOYSA-N 0 0 482.949 4.101 50 0 JIAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000009515301 555306413 /nfs/dbraw/zinc/30/64/13/555306413.db2.gz LYYZXYPJVLYCFC-UHFFFAOYSA-N 0 0 480.615 4.471 50 0 JIAARN O[C@H](COCc1ccccc1F)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000009516690 555308774 /nfs/dbraw/zinc/30/87/74/555308774.db2.gz HLEOVCRLEHJBNC-OAQYLSRUSA-N 0 0 450.539 4.197 50 0 JIAARN COc1ccccc1-n1c(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)nnc1-c1cccs1 ZINC000009516793 555308958 /nfs/dbraw/zinc/30/89/58/555308958.db2.gz SSTGFTDTSATQSE-HNNXBMFYSA-N 0 0 491.598 4.470 50 0 JIAARN COc1cccc2cc(-c3cc(=O)oc4cc(OCC(=O)OC(C)(C)C)ccc43)c(=O)oc21 ZINC000009517242 555309608 /nfs/dbraw/zinc/30/96/08/555309608.db2.gz QXLBLGBDRBPREZ-UHFFFAOYSA-N 0 0 450.443 4.296 50 0 biogenic JIAARN COc1ccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2cccs2)cc1 ZINC000009517137 555309632 /nfs/dbraw/zinc/30/96/32/555309632.db2.gz XYGMBXMZKSUMKO-FQEVSTJZSA-N 0 0 455.561 4.120 50 0 JIAARN COc1ccc(N2C[C@H](C(=O)Nc3nnc(SC/C=C/c4ccccc4)s3)CC2=O)cc1 ZINC000009517951 555311484 /nfs/dbraw/zinc/31/14/84/555311484.db2.gz NZUMWFKCKVZGQH-ZGRWHYIRSA-N 0 0 466.588 4.344 50 0 JIAARN COc1ccccc1-n1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)N1CCC(C)CC1 ZINC000009518301 555312949 /nfs/dbraw/zinc/31/29/49/555312949.db2.gz NCLQTRCDDNPBAV-UHFFFAOYSA-N 0 0 462.575 4.226 50 0 JIAARN CC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000009518575 555313842 /nfs/dbraw/zinc/31/38/42/555313842.db2.gz VEXLZDBWDNQJJA-UHFFFAOYSA-N 0 0 466.563 4.231 50 0 JIAARN CCCCOC(=O)c1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1 ZINC000009518863 555314904 /nfs/dbraw/zinc/31/49/04/555314904.db2.gz HABUCWPYNCHRBI-UHFFFAOYSA-N 0 0 475.545 4.042 50 0 JIAARN COc1ccc(Cl)c2sc(N(C[C@H]3CCCO3)C(=O)Cc3ccc4c(c3)OCO4)nc21 ZINC000009522612 555318849 /nfs/dbraw/zinc/31/88/49/555318849.db2.gz OWIMTMBWNFKVDC-CQSZACIVSA-N 0 0 460.939 4.442 50 0 JIAARN COc1cccc(CNC(=O)c2ccc(N3CCOCC3)c(NC(=O)Nc3ccccc3F)c2)c1 ZINC000009527996 555321857 /nfs/dbraw/zinc/32/18/57/555321857.db2.gz ICMKVOYIGFCIPL-UHFFFAOYSA-N 0 0 478.524 4.245 50 0 JIAARN COc1ccc(CNC(=O)c2ccc(N3CCOCC3)c(NC(=O)Nc3cccc(F)c3)c2)cc1 ZINC000009528011 555322186 /nfs/dbraw/zinc/32/21/86/555322186.db2.gz GGJSQCHKILSGQJ-UHFFFAOYSA-N 0 0 478.524 4.245 50 0 JIAARN O=C(Nc1cccc(F)c1)Nc1cc(C(=O)NCc2cccc(F)c2)ccc1N1CCOCC1 ZINC000009528047 555322213 /nfs/dbraw/zinc/32/22/13/555322213.db2.gz PWVQCCCWCWSSLX-UHFFFAOYSA-N 0 0 466.488 4.375 50 0 JIAARN O=C(Nc1ccc(F)cc1)Nc1cc(C(=O)NCc2cccc(F)c2)ccc1N1CCOCC1 ZINC000009528034 555322219 /nfs/dbraw/zinc/32/22/19/555322219.db2.gz JPITWYVUBRATEV-UHFFFAOYSA-N 0 0 466.488 4.375 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(Cc1nc(-c3ccccc3)oc1C)C(=O)CS2 ZINC000009528066 555322271 /nfs/dbraw/zinc/32/22/71/555322271.db2.gz MFFUOLINOBCLMB-UHFFFAOYSA-N 0 0 471.604 4.319 50 0 JIAARN CCOc1ccc(OCC)c(Nc2nnc(-c3cc4c(CO)cnc(C)c4oc3=O)s2)c1 ZINC000009529844 555324444 /nfs/dbraw/zinc/32/44/44/555324444.db2.gz SHQQIHKDVZPIDJ-UHFFFAOYSA-N 0 0 454.508 4.048 50 0 JIAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)cc1 ZINC000009540396 555333239 /nfs/dbraw/zinc/33/32/39/555333239.db2.gz FJXJZXDDFCIESM-UHFFFAOYSA-N 0 0 457.486 4.243 50 0 JIAARN Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(Cl)cc4C)n3N)n[nH]2)cc1 ZINC000009541206 555334093 /nfs/dbraw/zinc/33/40/93/555334093.db2.gz OWURFFCQFLIWJC-UHFFFAOYSA-N 0 0 453.959 4.050 50 0 JIAARN COc1ccc(-c2cc(-c3nnc(SCc4ccc(Br)cc4)n3N)n[nH]2)cc1 ZINC000009540922 555334160 /nfs/dbraw/zinc/33/41/60/555334160.db2.gz KJZRPPCOWSFMBA-UHFFFAOYSA-N 0 0 457.357 4.112 50 0 JIAARN COc1ccc(C)cc1-n1c(=O)c2ccccc2nc1SCC(=O)Nc1cccnc1Cl ZINC000009632855 555334774 /nfs/dbraw/zinc/33/47/74/555334774.db2.gz GEHOUZOWQRTFFA-UHFFFAOYSA-N 0 0 466.950 4.482 50 0 JIAARN CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 ZINC000009633870 555338003 /nfs/dbraw/zinc/33/80/03/555338003.db2.gz DGECTRFNFOBYBR-INIZCTEOSA-N 0 0 461.470 4.234 50 0 JIAARN CCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2cccc(OC)c2)cc1OC ZINC000009546182 555340435 /nfs/dbraw/zinc/34/04/35/555340435.db2.gz VPJXURWEDHJKGP-SANMLTNESA-N 0 0 466.578 4.347 50 0 JIAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)o1 ZINC000009546658 555342482 /nfs/dbraw/zinc/34/24/82/555342482.db2.gz AIIYVYDMRNVQQH-UHFFFAOYSA-N 0 0 483.575 4.172 50 0 JIAARN COc1cccc(-c2nnc(S[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)n2Cc2ccco2)c1 ZINC000009546689 555342955 /nfs/dbraw/zinc/34/29/55/555342955.db2.gz GWJIJHCPQYQAGK-MRXNPFEDSA-N 0 0 489.557 4.061 50 0 JIAARN CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)CCC(=O)c2ccc(F)cc2)sc2c1CCCC2 ZINC000013145715 555343258 /nfs/dbraw/zinc/34/32/58/555343258.db2.gz DVEYVFPKTRSYSB-AWEZNQCLSA-N 0 0 475.538 4.476 50 0 JIAARN CCOC(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCCC(=O)NC1CCCC1 ZINC000009636718 555344388 /nfs/dbraw/zinc/34/43/88/555344388.db2.gz ILSKLIXSCQZHTR-UHFFFAOYSA-N 0 0 473.620 4.105 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc3[nH]c4ccccc4n31)C[C@@H](C)CC2 ZINC000013146459 555345894 /nfs/dbraw/zinc/34/58/94/555345894.db2.gz GYWJWCMPKWTOTF-LBPRGKRZSA-N 0 0 469.592 4.304 50 0 JIAARN O=S(=O)(c1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c32)cc1)N1CCOCC1 ZINC000013147547 555346366 /nfs/dbraw/zinc/34/63/66/555346366.db2.gz SSZMPZKGQLUDOQ-UHFFFAOYSA-N 0 0 471.535 4.311 50 0 JIAARN COc1ccc(-c2nc3n(n2)[C@@H](c2cccnc2)C(C(=O)Nc2ccccc2OC)=C(C)N3)cc1 ZINC000009638088 555346439 /nfs/dbraw/zinc/34/64/39/555346439.db2.gz BBMFXANPYBWPNP-QHCPKHFHSA-N 0 0 468.517 4.285 50 0 JIAARN CCCCn1c(S[C@@H](C(=O)NC(=O)NC)c2ccccc2)nnc1-c1ccc(OC)cc1 ZINC000013147890 555347621 /nfs/dbraw/zinc/34/76/21/555347621.db2.gz JDKKQTIYHSQYKG-LJQANCHMSA-N 0 0 453.568 4.043 50 0 JIAARN Cc1c(-c2nsc(NC(=O)c3cccc(C)c3)n2)nnn1-c1ccc(Br)cc1 ZINC000009639078 555348131 /nfs/dbraw/zinc/34/81/31/555348131.db2.gz UNIDKGMGHFAUCU-UHFFFAOYSA-N 0 0 455.341 4.417 50 0 JIAARN Cc1ccccc1NC(=O)COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1 ZINC000013148074 555348197 /nfs/dbraw/zinc/34/81/97/555348197.db2.gz FTCSSDRGCABTRF-NRFANRHFSA-N 0 0 461.543 4.061 50 0 JIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3c(Cl)cccc3Cl)cc2)C1 ZINC000013148391 555349119 /nfs/dbraw/zinc/34/91/19/555349119.db2.gz FQJVLBCSRGKYRL-GASCZTMLSA-N 0 0 499.416 4.456 50 0 JIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)cc2)C1 ZINC000013148588 555349656 /nfs/dbraw/zinc/34/96/56/555349656.db2.gz ITWDXQUWFNJKFX-GASCZTMLSA-N 0 0 499.416 4.456 50 0 JIAARN CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000013149215 555352026 /nfs/dbraw/zinc/35/20/26/555352026.db2.gz VRIQKXPBGNSKCX-DSQUVOCVSA-N 0 0 451.032 4.310 50 0 JIAARN COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)NCc3ccc(C)cc3)c3ccccc3C(=O)N1CC2 ZINC000009559261 555353511 /nfs/dbraw/zinc/35/35/11/555353511.db2.gz YHVRRTDNZJIJFW-FTJBHMTQSA-N 0 0 456.542 4.165 50 0 JIAARN Cc1ccc(-c2csc(NC(=O)COC(=O)CSc3nnc(-c4ccccc4F)n3C)n2)cc1 ZINC000013150095 555354762 /nfs/dbraw/zinc/35/47/62/555354762.db2.gz JUYAMUIENGCBHL-UHFFFAOYSA-N 0 0 497.577 4.327 50 0 JIAARN O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000009559495 555354756 /nfs/dbraw/zinc/35/47/56/555354756.db2.gz 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CSc1ncc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)n1-c1ccccc1 ZINC000009858501 555560148 /nfs/dbraw/zinc/56/01/48/555560148.db2.gz UMWQABIQKFTZHQ-UHFFFAOYSA-N 0 0 459.369 4.034 50 0 JIAARN C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000009865082 555561849 /nfs/dbraw/zinc/56/18/49/555561849.db2.gz UTRVROUZLZWNSB-JXFKEZNVSA-N 0 0 456.999 4.287 50 0 JIAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)c1cc2ccccc2o1 ZINC000009885297 555562611 /nfs/dbraw/zinc/56/26/11/555562611.db2.gz MCGSWLUTTDYHQT-MRXNPFEDSA-N 0 0 478.526 4.131 50 0 JIAARN COc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c(OC)cc1NC(=O)c1ccccc1 ZINC000009971372 555569208 /nfs/dbraw/zinc/56/92/08/555569208.db2.gz AGTMZVPAMGPQKY-IBGZPJMESA-N 0 0 473.529 4.256 50 0 JIAARN CC[C@H](C(=O)Nc1ccccc1C(=O)NC1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013686384 555579787 /nfs/dbraw/zinc/57/97/87/555579787.db2.gz QOSRWKDECPYMMZ-JOCHJYFZSA-N 0 0 475.586 4.072 50 0 JIAARN Cn1c2ccccc2c(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)c1-c1ccccc1 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CC(=O)Oc1ccc(Br)cc1C1=NN(C(C)=O)[C@H](c2cc(Cl)ccc2OC(C)=O)O1 ZINC000010059069 555608738 /nfs/dbraw/zinc/60/87/38/555608738.db2.gz OINJCXFMBPLADO-FQEVSTJZSA-N 0 0 495.713 4.192 50 0 JIAARN CCCN1C(=O)[C@](O)(CC(=O)c2ccc(Br)s2)c2cc(Br)ccc21 ZINC000010059113 555609113 /nfs/dbraw/zinc/60/91/13/555609113.db2.gz GCYNINDEOFNGOP-KRWDZBQOSA-N 0 0 473.186 4.490 50 0 JIAARN COc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3cccc(Br)c3)C2=O)cc1OC ZINC000010059210 555609362 /nfs/dbraw/zinc/60/93/62/555609362.db2.gz GRWGYWFCRKHRNZ-VWLOTQADSA-N 0 0 496.357 4.474 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)ccc3OC)C2)cc1Cl ZINC000010059458 555609981 /nfs/dbraw/zinc/60/99/81/555609981.db2.gz MCFABYGDVXUADK-CYBMUJFWSA-N 0 0 473.378 4.050 50 0 JIAARN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1OC ZINC000010059464 555610230 /nfs/dbraw/zinc/61/02/30/555610230.db2.gz UQCFCPXXWYWVEO-ZDUSSCGKSA-N 0 0 473.378 4.050 50 0 JIAARN COC(=O)c1sc(NC(=S)Nc2ccc(Cn3nc(C)cc3C)cc2)c(C(=O)OC)c1C ZINC000013752729 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/nfs/dbraw/zinc/89/78/17/555897817.db2.gz NCOMBNUUPDWFMG-OAQYLSRUSA-N 0 0 465.531 4.132 50 0 JIAARN CC(C)N(C(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1)C(C)C ZINC000012062192 555899718 /nfs/dbraw/zinc/89/97/18/555899718.db2.gz NDWMDTIMLTWFQB-HXUWFJFHSA-N 0 0 450.558 4.337 50 0 JIAARN Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012069875 555901322 /nfs/dbraw/zinc/90/13/22/555901322.db2.gz ZROPYTWLLYPWTR-UHFFFAOYSA-N 0 0 489.469 4.085 50 0 JIAARN Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)o2)c1 ZINC000015391400 555902734 /nfs/dbraw/zinc/90/27/34/555902734.db2.gz NRTNPNIVHXABRW-UHFFFAOYSA-N 0 0 462.531 4.431 50 0 JIAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](C)Sc4ccccc43)CC2)cc1 ZINC000022256962 555904930 /nfs/dbraw/zinc/90/49/30/555904930.db2.gz BIWGDMVQROXSPL-GOSISDBHSA-N 0 0 474.648 4.404 50 0 JIAARN Cc1sc2nc(CN3CCOCC3)nc(N[C@H](c3nccn3C)c3ccc(F)cc3)c2c1C ZINC000022261423 555906383 /nfs/dbraw/zinc/90/63/83/555906383.db2.gz XRCIUCFFYGDPOJ-NRFANRHFSA-N 0 0 466.586 4.214 50 0 JIAARN CCN(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000015451349 555909849 /nfs/dbraw/zinc/90/98/49/555909849.db2.gz AOVWPNHJALEBBE-INIZCTEOSA-N 0 0 452.986 4.155 50 0 JIAARN Cc1noc(C)c1S(=O)(=O)N1CCC(c2ncncc2-c2cccc(C(F)(F)F)c2)CC1 ZINC000012129984 555911284 /nfs/dbraw/zinc/91/12/84/555911284.db2.gz IECXJDHGCDBOHT-UHFFFAOYSA-N 0 0 466.485 4.336 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCC(=O)OCCc2ccccc2)cc1 ZINC000012137168 555914390 /nfs/dbraw/zinc/91/43/90/555914390.db2.gz YAIGYQZPDZQQGM-UHFFFAOYSA-N 0 0 480.586 4.012 50 0 JIAARN O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cccc(OCCOc2ccccc2)c1 ZINC000012138019 555915579 /nfs/dbraw/zinc/91/55/79/555915579.db2.gz WDTKNEMTSDZLMK-QHCPKHFHSA-N 0 0 460.530 4.306 50 0 JIAARN COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000015578017 555916285 /nfs/dbraw/zinc/91/62/85/555916285.db2.gz RBLZHQJCKMOYOM-NRFANRHFSA-N 0 0 496.551 4.478 50 0 JIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(Cl)ccc3n2C)cc1 ZINC000012140084 555916717 /nfs/dbraw/zinc/91/67/17/555916717.db2.gz GNQXJGQYSIPEFA-WJTDDFOZSA-N 0 0 486.018 4.455 50 0 JIAARN O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCN(c2ccccc2Cl)CC1 ZINC000015586686 555916935 /nfs/dbraw/zinc/91/69/35/555916935.db2.gz BLVYFXCVROWDLC-UHFFFAOYSA-N 0 0 473.957 4.242 50 0 JIAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000015598674 555917722 /nfs/dbraw/zinc/91/77/22/555917722.db2.gz WWRAROHMHSNPCX-UHFFFAOYSA-N 0 0 471.579 4.007 50 0 JIAARN CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2cc(C)cc(C)c2)SCC3)s1 ZINC000012140573 555918447 /nfs/dbraw/zinc/91/84/47/555918447.db2.gz DUEWZYFVTLHPMR-UHFFFAOYSA-N 0 0 491.689 4.192 50 0 JIAARN COc1ccc(-c2nc(CC(=O)Nc3nc(CN4C[C@@H](C)O[C@H](C)C4)cs3)cs2)cc1 ZINC000022303084 555918813 /nfs/dbraw/zinc/91/88/13/555918813.db2.gz PMHOPRZACLZPII-HUUCEWRRSA-N 0 0 458.609 4.066 50 0 JIAARN CCN(CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2c(cccc2Cl)s1 ZINC000012140873 555919766 /nfs/dbraw/zinc/91/97/66/555919766.db2.gz LILXBMJWVJJPPM-UHFFFAOYSA-N 0 0 480.055 4.489 50 0 JIAARN O=C(c1cc(-c2ccccn2)nc2ccccc21)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000022309807 555920024 /nfs/dbraw/zinc/92/00/24/555920024.db2.gz OLGFHUIDBLAPNC-UHFFFAOYSA-N 0 0 482.569 4.366 50 0 JIAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 ZINC000015622155 555920030 /nfs/dbraw/zinc/92/00/30/555920030.db2.gz RNPBEOJOCHVPGV-UHFFFAOYSA-N 0 0 479.602 4.432 50 0 JIAARN CN(CCc1ccccn1)C(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000015659565 555922699 /nfs/dbraw/zinc/92/26/99/555922699.db2.gz HXNFUPWMDNBUDW-UHFFFAOYSA-N 0 0 451.452 4.223 50 0 JIAARN COc1ccc(CNC(=O)c2cnn(-c3nccc(-c4ccc(OC)c(F)c4)n3)c2C2CC2)cc1 ZINC000012150490 555922792 /nfs/dbraw/zinc/92/27/92/555922792.db2.gz QGYACUSAAKKBLI-UHFFFAOYSA-N 0 0 473.508 4.293 50 0 JIAARN COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)NCc3cn4c(cccc4C)n3)c21 ZINC000012151359 555923751 /nfs/dbraw/zinc/92/37/51/555923751.db2.gz XTTLICYUVQUDEE-UHFFFAOYSA-N 0 0 488.592 4.088 50 0 JIAARN COCCCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc4c(c3)OCCO4)on1)CCCC2 ZINC000015669808 555924523 /nfs/dbraw/zinc/92/45/23/555924523.db2.gz DRRYFRXEYVRNLT-UHFFFAOYSA-N 0 0 497.573 4.072 50 0 JIAARN O=C(C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000012152165 555925730 /nfs/dbraw/zinc/92/57/30/555925730.db2.gz ZWBCIDCOJAELDP-SQJMNOBHSA-N 0 0 485.506 4.403 50 0 JIAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(Cl)cc3)n2)c1OC ZINC000015670396 555925947 /nfs/dbraw/zinc/92/59/47/555925947.db2.gz FKTMJURERGGKOJ-KRWDZBQOSA-N 0 0 476.924 4.177 50 0 JIAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(Cl)cc3)n2)c(OC)c1 ZINC000015670423 555926320 /nfs/dbraw/zinc/92/63/20/555926320.db2.gz OLRKJRVCQVSZDI-GOSISDBHSA-N 0 0 476.924 4.177 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(Oc2cc(C)ccc2C(C)C)c(NC(=O)CCNC(C)=O)c1 ZINC000022368960 555926568 /nfs/dbraw/zinc/92/65/68/555926568.db2.gz DVOZECDJLJRVPJ-UHFFFAOYSA-N 0 0 489.638 4.406 50 0 JIAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1=O ZINC000015670789 555927106 /nfs/dbraw/zinc/92/71/06/555927106.db2.gz FEEPFCJUQCYPQV-MRXNPFEDSA-N 0 0 468.513 4.424 50 0 JIAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@H](c1cccc(Br)c1)CC(=O)N2 ZINC000015670622 555927136 /nfs/dbraw/zinc/92/71/36/555927136.db2.gz CWTKYLVITMFUOB-KRWDZBQOSA-N 0 0 479.313 4.408 50 0 JIAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@H](c1ccc(Br)cc1)CC(=O)N2 ZINC000015670624 555927157 /nfs/dbraw/zinc/92/71/57/555927157.db2.gz NWRWMXHWKZXWTB-KRWDZBQOSA-N 0 0 479.313 4.408 50 0 JIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)cc1C ZINC000015671355 555928111 /nfs/dbraw/zinc/92/81/11/555928111.db2.gz LNUORMZFFCIRMZ-UHFFFAOYSA-N 0 0 467.595 4.091 50 0 JIAARN COc1cc([C@@H]2Oc3ccccc3-n3c(-c4ccc(F)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)ccc1O ZINC000015671536 555928576 /nfs/dbraw/zinc/92/85/76/555928576.db2.gz BATCYYQELCTMRE-SANMLTNESA-N 0 0 499.498 4.030 50 0 JIAARN COc1ccc(C[C@]2(CCC(=O)N3CCC[C@@H](COc4ccc(C)cc4)C3)CCC(=O)N2)cc1OC ZINC000012160317 555930578 /nfs/dbraw/zinc/93/05/78/555930578.db2.gz FXXHPDLIVCRKPV-RNWIMVQKSA-N 0 0 494.632 4.301 50 0 JIAARN COc1cc(NC(=O)c2ccccc2Cl)c(C(=O)OCc2cc(=O)n3ccsc3n2)cc1OC ZINC000012174926 555934102 /nfs/dbraw/zinc/93/41/02/555934102.db2.gz IMYQDLGTTJELAF-UHFFFAOYSA-N 0 0 499.932 4.036 50 0 JIAARN CC1CCN(C(=O)C2CCN(c3cccc4c3C(=O)N(CCc3cccc(F)c3)C4=O)CC2)CC1 ZINC000012190078 555937102 /nfs/dbraw/zinc/93/71/02/555937102.db2.gz HWJNIIJEQCLGLI-UHFFFAOYSA-N 0 0 477.580 4.139 50 0 JIAARN Cc1ccccc1[C@]1(CC(=O)N2CCC[C@H]2c2ccc(F)cc2)CC(=O)N(Cc2cccnc2)C1=O ZINC000012191303 555938840 /nfs/dbraw/zinc/93/88/40/555938840.db2.gz MSCDTFJYSKQQGS-SVEHJYQDSA-N 0 0 485.559 4.480 50 0 JIAARN Cc1ccccc1[C@]1(CC(=O)N2CCC(c3ccncc3)CC2)CC(=O)N(C2CCCC2)C1=O ZINC000012191562 555939155 /nfs/dbraw/zinc/93/91/55/555939155.db2.gz IVSLZNGBGLXUAS-NDEPHWFRSA-N 0 0 459.590 4.126 50 0 JIAARN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000015679399 555944774 /nfs/dbraw/zinc/94/47/74/555944774.db2.gz WACLMKLSZGLEQO-UHFFFAOYSA-N 0 0 489.801 4.329 50 0 JIAARN COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCOC45CC6CC(CC(C6)C4)C5)C3)n2)cc1 ZINC000015679026 555944854 /nfs/dbraw/zinc/94/48/54/555944854.db2.gz XDKZBEUJOZCBPM-RRNJLGJUSA-N 0 0 480.609 4.063 50 0 JIAARN COc1ccccc1CNC(=O)[C@H]1CCCN(c2nn3cc(-c4ccc(C)cc4)nc3s2)C1 ZINC000015679497 555945380 /nfs/dbraw/zinc/94/53/80/555945380.db2.gz JBLGMFNRCTWAHT-FQEVSTJZSA-N 0 0 461.591 4.308 50 0 JIAARN Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)[nH]n2)c(C)c1 ZINC000015680642 555949026 /nfs/dbraw/zinc/94/90/26/555949026.db2.gz ZVERYJPDSMIKBI-UHFFFAOYSA-N 0 0 480.634 4.138 50 0 JIAARN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 ZINC000015681582 555950539 /nfs/dbraw/zinc/95/05/39/555950539.db2.gz SYNSPVJSJXQCOS-LJQANCHMSA-N 0 0 487.535 4.302 50 0 JIAARN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 ZINC000015681583 555950597 /nfs/dbraw/zinc/95/05/97/555950597.db2.gz SYNSPVJSJXQCOS-IBGZPJMESA-N 0 0 487.535 4.302 50 0 JIAARN O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCC[C@@H](C(=O)N2CCc3ccccc32)C1 ZINC000015681586 555950946 /nfs/dbraw/zinc/95/09/46/555950946.db2.gz YSWVXRVYPOXDFT-OAQYLSRUSA-N 0 0 483.547 4.244 50 0 JIAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C1CCN(C(=O)OCC)CC1 ZINC000022746277 555951054 /nfs/dbraw/zinc/95/10/54/555951054.db2.gz KZCGUVRBBAUQMK-UHFFFAOYSA-N 0 0 460.552 4.407 50 0 JIAARN O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000015721093 555955081 /nfs/dbraw/zinc/95/50/81/555955081.db2.gz QPHGWNHHVNHSKD-VWLOTQADSA-N 0 0 461.512 4.401 50 0 JIAARN O=C(NCCOCC(F)(F)C(F)F)C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000012360227 555957143 /nfs/dbraw/zinc/95/71/43/555957143.db2.gz YGEXBMIOKWWFPN-UHFFFAOYSA-N 0 0 454.395 4.045 50 0 JIAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1)Oc1ccccc1 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/nfs/dbraw/zinc/11/18/29/556111829.db2.gz GSBFYAMFRJRQGJ-UHFFFAOYSA-N 0 0 470.576 4.449 50 0 JIAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016013173 556112086 /nfs/dbraw/zinc/11/20/86/556112086.db2.gz VNNMDLXHBZMVQV-JLFWUPFSSA-N 0 0 471.944 4.233 50 0 JIAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000023983902 556112174 /nfs/dbraw/zinc/11/21/74/556112174.db2.gz LOWRBDNSYMPSLY-AREMUKBSSA-N 0 0 467.573 4.046 50 0 JIAARN Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000023983905 556112197 /nfs/dbraw/zinc/11/21/97/556112197.db2.gz LOWRBDNSYMPSLY-SANMLTNESA-N 0 0 467.573 4.046 50 0 JIAARN COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc4c(c3)OCCO4)c2)cc1 ZINC000016020132 556113069 /nfs/dbraw/zinc/11/30/69/556113069.db2.gz QKWKDPZUTMQRKI-UHFFFAOYSA-N 0 0 488.949 4.197 50 0 JIAARN O=C(CSc1ncccc1C(=O)N1CC[C@H]2CCCC[C@H]2C1)Nc1ccc2c(c1)OCO2 ZINC000012799302 556114284 /nfs/dbraw/zinc/11/42/84/556114284.db2.gz SOYITFJDJIABRY-SJORKVTESA-N 0 0 453.564 4.193 50 0 JIAARN COc1ccc(Cn2c(C)cc(O)c([C@H](c3ccncc3)N3CCN(c4ccccc4)CC3)c2=O)cc1 ZINC000024022754 556116605 /nfs/dbraw/zinc/11/66/05/556116605.db2.gz WSGUPBAINBHUGG-LJAQVGFWSA-N 0 0 496.611 4.226 50 0 JIAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000024042026 556118022 /nfs/dbraw/zinc/11/80/22/556118022.db2.gz PCAFRGMWSJWBLR-UHFFFAOYSA-N 0 0 494.404 4.391 50 0 JIAARN CCOc1ccc(NC(=O)CCC(=O)c2cc(C)ccc2C)cc1S(=O)(=O)N1CCCC1 ZINC000024063463 556118290 /nfs/dbraw/zinc/11/82/90/556118290.db2.gz FZITWCONHQGLGQ-UHFFFAOYSA-N 0 0 458.580 4.088 50 0 JIAARN COc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2cc(OC)ccc2OC)c(OC)c1 ZINC000016042893 556122100 /nfs/dbraw/zinc/12/21/00/556122100.db2.gz YWLMQUYGBUSDIY-DSBYRVASSA-N 0 0 455.551 4.230 50 0 biogenic JIAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)[C@@H](C)CC ZINC000012887624 556124613 /nfs/dbraw/zinc/12/46/13/556124613.db2.gz FQVNLDHNHVWMJG-FFCWNIBLSA-N 0 0 486.616 4.083 50 0 biogenic JIAARN Cc1cc(C2=NN=C(Nc3c(C)n(C)n(-c4ccccc4)c3=O)SC2)c(C)n1C[C@H]1CCCO1 ZINC000016044734 556125121 /nfs/dbraw/zinc/12/51/21/556125121.db2.gz TVOLFKWZINWTGT-HXUWFJFHSA-N 0 0 478.622 4.001 50 0 JIAARN CNC(=O)c1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 ZINC000024277515 556128182 /nfs/dbraw/zinc/12/81/82/556128182.db2.gz XOURLKBXITXMFJ-UHFFFAOYSA-N 0 0 484.556 4.188 50 0 JIAARN COc1ccc(-c2cc(CN3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)on2)cc1 ZINC000024294685 556128540 /nfs/dbraw/zinc/12/85/40/556128540.db2.gz NOPBYKYMTWWKKK-UHFFFAOYSA-N 0 0 482.389 4.164 50 0 JIAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)COc2ccccc2-c2ccccc2)cc1 ZINC000012909906 556128807 /nfs/dbraw/zinc/12/88/07/556128807.db2.gz FXYNDGZOWVRXFZ-UHFFFAOYSA-N 0 0 452.576 4.079 50 0 JIAARN COc1ccccc1OCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C ZINC000012910506 556129429 /nfs/dbraw/zinc/12/94/29/556129429.db2.gz XNYYJZVDIOYMPF-UHFFFAOYSA-N 0 0 489.597 4.298 50 0 JIAARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000012911173 556130225 /nfs/dbraw/zinc/13/02/25/556130225.db2.gz HBVVIDPCSFHEMC-HXUWFJFHSA-N 0 0 452.523 4.247 50 0 JIAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1OCC(=O)Nc1ccccc1F ZINC000024394969 556130565 /nfs/dbraw/zinc/13/05/65/556130565.db2.gz SCHDNQWLTCIKMX-UHFFFAOYSA-N 0 0 472.520 4.360 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CCCc2ccccc21 ZINC000012911635 556130787 /nfs/dbraw/zinc/13/07/87/556130787.db2.gz FQLBKAJVGMZSPY-UHFFFAOYSA-N 0 0 453.391 4.374 50 0 JIAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)OCc3cc(C)no3)[C@H]2c2ccccc2OC)cc1 ZINC000024420102 556130878 /nfs/dbraw/zinc/13/08/78/556130878.db2.gz QEXLHTDSYLHSDA-ZJSXRUAMSA-N 0 0 450.491 4.228 50 0 JIAARN COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 ZINC000024495889 556132456 /nfs/dbraw/zinc/13/24/56/556132456.db2.gz KUKQFPOIFCARFS-HXUWFJFHSA-N 0 0 458.942 4.288 50 0 JIAARN O=S(=O)(c1ccc(Br)cc1)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000024528174 556134648 /nfs/dbraw/zinc/13/46/48/556134648.db2.gz WNNXWPZZJRHHNX-UHFFFAOYSA-N 0 0 498.752 4.417 50 0 JIAARN O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000012915706 556134979 /nfs/dbraw/zinc/13/49/79/556134979.db2.gz MONSUOZKXGRTJX-JTHBVZDNSA-N 0 0 471.582 4.420 50 0 JIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)c3c(C)noc3n2)s1 ZINC000012915966 556135316 /nfs/dbraw/zinc/13/53/16/556135316.db2.gz MPGFHMKZTKGFCX-UHFFFAOYSA-N 0 0 470.576 4.379 50 0 JIAARN COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3cc(Cl)ccc3nc2C)CC1 ZINC000012922563 556141353 /nfs/dbraw/zinc/14/13/53/556141353.db2.gz ZUSLYALVEWYMJB-JOCHJYFZSA-N 0 0 455.917 4.008 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000012923475 556141970 /nfs/dbraw/zinc/14/19/70/556141970.db2.gz JHXSGTGMMQZIEX-UHFFFAOYSA-N 0 0 480.417 4.419 50 0 JIAARN Cc1ccc(CN(CCc2ccccc2)Cn2nc(CCC(N)=O)n(C3CC3)c2=S)s1 ZINC000012924537 556142811 /nfs/dbraw/zinc/14/28/11/556142811.db2.gz DAKGUVGPAVTOLA-UHFFFAOYSA-N 0 0 455.653 4.239 50 0 JIAARN Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012924756 556143058 /nfs/dbraw/zinc/14/30/58/556143058.db2.gz PGUAFTMMGSUGCJ-UHFFFAOYSA-N 0 0 482.364 4.136 50 0 JIAARN CCn1c2ccccc2n(CCC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c1=O ZINC000024691530 556145734 /nfs/dbraw/zinc/14/57/34/556145734.db2.gz RTWDENNTSOKDGN-KRWDZBQOSA-N 0 0 450.564 4.035 50 0 JIAARN Cc1ccc(-c2cnc(CCC(=O)NCC(=O)Nc3ccccc3Br)o2)cc1C ZINC000012929597 556147064 /nfs/dbraw/zinc/14/70/64/556147064.db2.gz ZGMFBCXPEHXDMI-UHFFFAOYSA-N 0 0 456.340 4.408 50 0 JIAARN COc1ccc(CN(C)C(=O)COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1F ZINC000024727320 556147371 /nfs/dbraw/zinc/14/73/71/556147371.db2.gz ZPLPZRDUYBWACN-UHFFFAOYSA-N 0 0 473.932 4.165 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC(F)F)c(Cl)c2)s1 ZINC000012930631 556147599 /nfs/dbraw/zinc/14/75/99/556147599.db2.gz JNLXGDUATIWTCW-ZDUSSCGKSA-N 0 0 450.916 4.103 50 0 JIAARN Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc(S(=O)(=O)N(C)C)c1C ZINC000012931410 556148184 /nfs/dbraw/zinc/14/81/84/556148184.db2.gz MIEMKQPYRUSCCF-UHFFFAOYSA-N 0 0 466.485 4.011 50 0 JIAARN CCCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3C(=O)Nc3ccc(Br)cc3)cc2C1=O ZINC000012934216 556149930 /nfs/dbraw/zinc/14/99/30/556149930.db2.gz HMRPNUMHDSCWFY-HXUWFJFHSA-N 0 0 498.377 4.089 50 0 JIAARN CCOC(=O)Cc1nnc(SCC(=O)N[C@@H](CC)c2ccc(C)cc2)n1Cc1ccccc1 ZINC000024754055 556150093 /nfs/dbraw/zinc/15/00/93/556150093.db2.gz SXTFZFSOWNZFQN-NRFANRHFSA-N 0 0 466.607 4.100 50 0 JIAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc1 ZINC000024755587 556150363 /nfs/dbraw/zinc/15/03/63/556150363.db2.gz ZBSYVSNHTUQNOV-MRXNPFEDSA-N 0 0 473.620 4.499 50 0 JIAARN COc1ccc(C(=O)OCC(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)cc1OCc1ccccn1 ZINC000024761054 556151561 /nfs/dbraw/zinc/15/15/61/556151561.db2.gz XFAKAEIJIAPOJX-HNNXBMFYSA-N 0 0 466.456 4.015 50 0 JIAARN CS(=O)(=O)c1cc(C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)ccc1Cl ZINC000012954037 556161049 /nfs/dbraw/zinc/16/10/49/556161049.db2.gz SFUXWAWIXGAMAM-UHFFFAOYSA-N 0 0 485.989 4.172 50 0 JIAARN C[C@H](Sc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@@H](C)[C@H]1C)c1nc(N)nc(N(C)C)n1 ZINC000024906269 556162897 /nfs/dbraw/zinc/16/28/97/556162897.db2.gz KUKUQDQQTAOEHC-ZXFNITATSA-N 0 0 453.616 4.080 50 0 JIAARN Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CSc1nnc(-c2cccs2)n1CCC(N)=O ZINC000024926055 556163777 /nfs/dbraw/zinc/16/37/77/556163777.db2.gz XSROOUVBMILNLW-QGZVFWFLSA-N 0 0 474.652 4.020 50 0 JIAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCc1cccc(NC(=O)C2CC2)c1 ZINC000024927332 556164125 /nfs/dbraw/zinc/16/41/25/556164125.db2.gz QAGFPBJOELFEAC-UHFFFAOYSA-N 0 0 481.549 4.213 50 0 JIAARN COc1ccc(-c2cc3c(=O)[nH]nc(SCc4nc(-c5cccc(Cl)c5)no4)n3n2)cc1OC ZINC000016842827 556164801 /nfs/dbraw/zinc/16/48/01/556164801.db2.gz JQRKVQNQGZGGHZ-UHFFFAOYSA-N 0 0 496.936 4.098 50 0 JIAARN COc1cc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)cc(OC)c1 ZINC000016844960 556166704 /nfs/dbraw/zinc/16/67/04/556166704.db2.gz VEMPPXRVYQLWBH-UHFFFAOYSA-N 0 0 467.572 4.410 50 0 JIAARN COC(=O)C1(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)CCCC1 ZINC000024979228 556167720 /nfs/dbraw/zinc/16/77/20/556167720.db2.gz DDWUXMSXJJUQQK-WYMLVPIESA-N 0 0 475.545 4.172 50 0 JIAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(OC)cc3OC)no2)cc1 ZINC000016846528 556168776 /nfs/dbraw/zinc/16/87/76/556168776.db2.gz RRJKCUVXUNUEDU-UHFFFAOYSA-N 0 0 487.559 4.316 50 0 JIAARN C[C@@H](NCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1)c1ccc(S(C)(=O)=O)cc1 ZINC000024985077 556169557 /nfs/dbraw/zinc/16/95/57/556169557.db2.gz URPVCNAFVIIMRI-VGSWGCGISA-N 0 0 491.569 4.458 50 0 JIAARN CC(=O)Nc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1 ZINC000016890459 556171448 /nfs/dbraw/zinc/17/14/48/556171448.db2.gz GACURAZEYOYOCZ-UHFFFAOYSA-N 0 0 464.591 4.343 50 0 JIAARN COc1ccc(NC(C)=O)cc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 ZINC000016890442 556171552 /nfs/dbraw/zinc/17/15/52/556171552.db2.gz MNCGDELKADGEJQ-UHFFFAOYSA-N 0 0 458.927 4.197 50 0 JIAARN COc1ccc(C2=NN(C(=O)CNc3cccc(-c4nnnn4C4CC4)c3)[C@@H](c3ccco3)C2)cc1 ZINC000025046985 556173920 /nfs/dbraw/zinc/17/39/20/556173920.db2.gz CRQAPCRSFOBODD-HSZRJFAPSA-N 0 0 483.532 4.066 50 0 JIAARN Cc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000016902765 556174142 /nfs/dbraw/zinc/17/41/42/556174142.db2.gz SUEYAGGRXJJJGN-PMACEKPBSA-N 0 0 459.521 4.444 50 0 JIAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)c2)CC1 ZINC000025053052 556175475 /nfs/dbraw/zinc/17/54/75/556175475.db2.gz OSUWWZJEUGTOOX-UHFFFAOYSA-N 0 0 489.947 4.246 50 0 JIAARN CCCc1cc(=O)oc2cc(OCc3nnc(C(=O)Nc4ccc(OC)cc4)s3)ccc12 ZINC000025054466 556175872 /nfs/dbraw/zinc/17/58/72/556175872.db2.gz YGZFMESHZVVXSD-UHFFFAOYSA-N 0 0 451.504 4.437 50 0 JIAARN Cc1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000016903281 556176022 /nfs/dbraw/zinc/17/60/22/556176022.db2.gz 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O=C(CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012992312 556184677 /nfs/dbraw/zinc/18/46/77/556184677.db2.gz USKAINJCEHOREV-HXUWFJFHSA-N 0 0 465.903 4.347 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccc(Br)c4)no3)CC2)cc1 ZINC000016954394 556185397 /nfs/dbraw/zinc/18/53/97/556185397.db2.gz YCIQHAMNXBIRFV-UHFFFAOYSA-N 0 0 478.368 4.076 50 0 JIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4c(F)cccc4F)ccc32)cc1 ZINC000016954433 556185683 /nfs/dbraw/zinc/18/56/83/556185683.db2.gz JAMJVSMRIIGGCE-UHFFFAOYSA-N 0 0 458.486 4.367 50 0 JIAARN COc1ccc(-c2noc(CCC(=O)Nc3ccccc3C(=O)OCC(=O)C(C)(C)C)n2)cc1OC ZINC000012993821 556186537 /nfs/dbraw/zinc/18/65/37/556186537.db2.gz ASSICTBUJVIUIV-UHFFFAOYSA-N 0 0 495.532 4.097 50 0 JIAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)c2ccccc12 ZINC000012995031 556187152 /nfs/dbraw/zinc/18/71/52/556187152.db2.gz IAHDCUCCDTXLQV-QGZVFWFLSA-N 0 0 478.545 4.365 50 0 JIAARN COc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1OC 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Cc1ccccc1OCC(=O)N[C@@H](Nc1sc2c(c1C(N)=O)CCCC2)C(Cl)(Cl)Cl ZINC000027016682 556268885 /nfs/dbraw/zinc/26/88/85/556268885.db2.gz CZNAOIUBOOMAQY-IBGZPJMESA-N 0 0 490.840 4.338 50 0 JIAARN COc1cc(-c2nn(CN(C)CC(=O)Nc3ccc(Cl)cc3)c(=S)o2)cc(OC)c1OC ZINC000013071162 556268986 /nfs/dbraw/zinc/26/89/86/556268986.db2.gz KGPRMIJNESPFAW-UHFFFAOYSA-N 0 0 478.958 4.080 50 0 JIAARN CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc32)c1 ZINC000017910892 556270996 /nfs/dbraw/zinc/27/09/96/556270996.db2.gz IBQHECOXVJDVMT-HXUWFJFHSA-N 0 0 453.589 4.042 50 0 JIAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Oc2ccc(-c3nnco3)cc2)c1 ZINC000013072545 556271232 /nfs/dbraw/zinc/27/12/32/556271232.db2.gz NIIGSGVZCBGLQU-UHFFFAOYSA-N 0 0 469.906 4.434 50 0 JIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000017960146 556272836 /nfs/dbraw/zinc/27/28/36/556272836.db2.gz JLVNNONNSNYLHE-NRFANRHFSA-N 0 0 469.632 4.164 50 0 JIAARN COc1ccc(-c2nc3s/c(=C4/c5ccccc5N(C)C4=O)c(=O)n3c2-c2ccc(OC)cc2)cc1 ZINC000027061695 556273219 /nfs/dbraw/zinc/27/32/19/556273219.db2.gz JKQROEVGNXFDTH-LVWGJNHUSA-N 0 0 495.560 4.002 50 0 JIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000017974206 556273879 /nfs/dbraw/zinc/27/38/79/556273879.db2.gz YPVQUEKFHUIFTR-UHFFFAOYSA-N 0 0 480.874 4.015 50 0 JIAARN CCOc1cc2c(cc1CNC(=O)CCc1c(C)c3ccc(OC)cc3oc1=O)O[C@@H](C)C2 ZINC000027136077 556274315 /nfs/dbraw/zinc/27/43/15/556274315.db2.gz GRNNWYKONNAVSY-HNNXBMFYSA-N 0 0 451.519 4.081 50 0 JIAARN CC(=O)N(c1nc(COC(=O)CCN2C(=O)COc3ccccc32)cs1)c1ccc(C)cc1C ZINC000017990068 556274774 /nfs/dbraw/zinc/27/47/74/556274774.db2.gz GXGSRQGTNOWGMG-UHFFFAOYSA-N 0 0 479.558 4.303 50 0 JIAARN CCOC(=O)CN(C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000013075672 556277533 /nfs/dbraw/zinc/27/75/33/556277533.db2.gz XFPMNDZWRWJPBR-UHFFFAOYSA-N 0 0 465.477 4.158 50 0 JIAARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc(OC)c1OC ZINC000018068830 556283343 /nfs/dbraw/zinc/28/33/43/556283343.db2.gz MUUZFFUDOQWBMA-ZDXQCDESSA-N 0 0 494.931 4.417 50 0 JIAARN COc1cccc([C@@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 ZINC000027522898 556287145 /nfs/dbraw/zinc/28/71/45/556287145.db2.gz QLGBWHXKFSXJJM-RTWAWAEBSA-N 0 0 466.415 4.467 50 0 JIAARN COc1cccc(NC(=O)CSc2ccccc2C(=O)OCc2cc(=O)n3c(C)csc3n2)c1 ZINC000013095346 556287341 /nfs/dbraw/zinc/28/73/41/556287341.db2.gz VLZCHMWJOFDDPN-UHFFFAOYSA-N 0 0 495.582 4.161 50 0 JIAARN COc1cc(C(=O)NCCc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000018105541 556288554 /nfs/dbraw/zinc/28/85/54/556288554.db2.gz CFCSFMQAMVDXEZ-UHFFFAOYSA-N 0 0 456.901 4.478 50 0 JIAARN CNC(=O)NC(=O)[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 ZINC000013095781 556288648 /nfs/dbraw/zinc/28/86/48/556288648.db2.gz FBQDKJHYYAHYLV-JOCHJYFZSA-N 0 0 455.543 4.495 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cccc(OCc2c(C)noc2C)c1 ZINC000013095775 556288652 /nfs/dbraw/zinc/28/86/52/556288652.db2.gz XTJNGYBAICELEP-UHFFFAOYSA-N 0 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O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013098024 556296077 /nfs/dbraw/zinc/29/60/77/556296077.db2.gz XVCYBHAWSRVIJO-UHFFFAOYSA-N 0 0 458.267 4.388 50 0 JIAARN CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(-c4nc5ccc(C)cc5s4)cc3)C2=O)CC1 ZINC000027550087 556296114 /nfs/dbraw/zinc/29/61/14/556296114.db2.gz KLLPCNRXEKEXEL-OAQYLSRUSA-N 0 0 477.586 4.179 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN3CCC[C@@H](C(=O)Nc4ccccc4)C3)[C@@H](c3ccco3)C2)cc1 ZINC000027570755 556298153 /nfs/dbraw/zinc/29/81/53/556298153.db2.gz NKSXJLAMASCYPH-PXDATVDWSA-N 0 0 486.572 4.317 50 0 JIAARN O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000013101006 556301054 /nfs/dbraw/zinc/30/10/54/556301054.db2.gz XQGMWKBSVGWUHO-NRFANRHFSA-N 0 0 462.493 4.241 50 0 JIAARN O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCC[C@H]2CCCC[C@H]21 ZINC000013102409 556303700 /nfs/dbraw/zinc/30/37/00/556303700.db2.gz ZMTPGNNQDWKBPP-VQIMIIECSA-N 0 0 458.546 4.287 50 0 JIAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)c1ccc(Cl)nc1 ZINC000013102729 556304233 /nfs/dbraw/zinc/30/42/33/556304233.db2.gz KANYMALSAUXNQI-UHFFFAOYSA-N 0 0 450.925 4.497 50 0 JIAARN CSc1ncc(Br)c(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCC3)n1 ZINC000027742715 556304770 /nfs/dbraw/zinc/30/47/70/556304770.db2.gz KTORSYNZOVVOJY-UHFFFAOYSA-N 0 0 493.408 4.287 50 0 JIAARN O=C(COc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000027745652 556305050 /nfs/dbraw/zinc/30/50/50/556305050.db2.gz MEBJDQXGUJEPGO-MRXNPFEDSA-N 0 0 462.782 4.242 50 0 JIAARN Cc1ccc([C@]2(O)NC(=O)N[C@H](c3ccc(-c4ccc(F)cc4)o3)[C@@H]2C(=O)C(F)(F)F)cc1 ZINC000027754307 556306034 /nfs/dbraw/zinc/30/60/34/556306034.db2.gz JYZXWPQFYDDGIJ-WOIUINJBSA-N 0 0 462.399 4.341 50 0 JIAARN Cc1cc(OCC(=O)N(Cc2c(F)cccc2Cl)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000027756246 556306194 /nfs/dbraw/zinc/30/61/94/556306194.db2.gz YBOJTDHOPNWZMC-HNNXBMFYSA-N 0 0 474.381 4.344 50 0 JIAARN CC(=O)c1ccc(N2CCN(C(=O)c3cccnc3SCc3c(C)noc3C)CC2)cc1 ZINC000027755011 556306337 /nfs/dbraw/zinc/30/63/37/556306337.db2.gz YDBORRXVWVFPQR-UHFFFAOYSA-N 0 0 450.564 4.144 50 0 JIAARN Nc1c(N(CCC2=CCCCC2)C(=O)C=Cc2ccsc2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000013109499 556308418 /nfs/dbraw/zinc/30/84/18/556308418.db2.gz ZHAXPSTXXAKVPQ-VAWYXSNFSA-N 0 0 476.602 4.166 50 0 JIAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000013109730 556309637 /nfs/dbraw/zinc/30/96/37/556309637.db2.gz PDYWFCCYLQVZBX-SFHVURJKSA-N 0 0 455.605 4.101 50 0 JIAARN COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000027925056 556310089 /nfs/dbraw/zinc/31/00/89/556310089.db2.gz ZRNXQWOBDZKCKU-CYBMUJFWSA-N 0 0 458.312 4.340 50 0 JIAARN CCCN(CCC)C(=O)c1ccc(CNC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)cc1 ZINC000027940578 556310183 /nfs/dbraw/zinc/31/01/83/556310183.db2.gz LUSFVQJPRLQJCQ-OAQYLSRUSA-N 0 0 458.990 4.018 50 0 JIAARN O=c1cc(CSc2nnc(C3CC3)n2Cc2ccccc2)nc2ccc(Br)cn12 ZINC000013110002 556310364 /nfs/dbraw/zinc/31/03/64/556310364.db2.gz MWMPWAKUZSGFFM-UHFFFAOYSA-N 0 0 468.380 4.267 50 0 JIAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000013110146 556311448 /nfs/dbraw/zinc/31/14/48/556311448.db2.gz CRGAYEWWYVIEIW-UHFFFAOYSA-N 0 0 457.530 4.199 50 0 JIAARN O=C(Nc1ccccc1N1CCCC1=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000013112686 556314708 /nfs/dbraw/zinc/31/47/08/556314708.db2.gz SAJZGGGLJFODOW-UHFFFAOYSA-N 0 0 453.495 4.006 50 0 JIAARN COc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(=O)c4ccc(F)cc4)cc3)CC2=O)cc1OC ZINC000028194854 556316839 /nfs/dbraw/zinc/31/68/39/556316839.db2.gz FXJJYHMZCFTZOW-SFHVURJKSA-N 0 0 463.461 4.032 50 0 JIAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000013113334 556317446 /nfs/dbraw/zinc/31/74/46/556317446.db2.gz UBFPWZFHMPPQOU-CQSZACIVSA-N 0 0 453.593 4.121 50 0 JIAARN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCN(c2ccccn2)CC1 ZINC000013113321 556317503 /nfs/dbraw/zinc/31/75/03/556317503.db2.gz LGZJZFDEQQEDPL-UHFFFAOYSA-N 0 0 485.009 4.401 50 0 JIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000013113335 556317629 /nfs/dbraw/zinc/31/76/29/556317629.db2.gz UBFPWZFHMPPQOU-AWEZNQCLSA-N 0 0 453.593 4.121 50 0 JIAARN O=C(CSc1nc(-c2cccs2)nc2ccccc21)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000013114231 556318535 /nfs/dbraw/zinc/31/85/35/556318535.db2.gz HOJSITGEHABUGE-KRWDZBQOSA-N 0 0 487.672 4.409 50 0 JIAARN COc1cc(CN(C)C(=O)CSc2nnnn2-c2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000018278540 556318695 /nfs/dbraw/zinc/31/86/95/556318695.db2.gz XURSIJPTSSNJTB-UHFFFAOYSA-N 0 0 489.601 4.309 50 0 JIAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 ZINC000013114292 556318820 /nfs/dbraw/zinc/31/88/20/556318820.db2.gz ZBTHSNFXJPYEAH-UHFFFAOYSA-N 0 0 495.576 4.127 50 0 JIAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000018832839 556324527 /nfs/dbraw/zinc/32/45/27/556324527.db2.gz ZOUVOLQGHNMZQW-UHFFFAOYSA-N 0 0 491.013 4.473 50 0 JIAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c2)cc1 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/nfs/dbraw/zinc/64/77/60/569647760.db2.gz QVBWIDOXRRFUHU-GOSISDBHSA-N 0 0 466.969 4.448 50 0 JIAARN Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)N(C)c3ccc(C)cc3)c1)NC(=O)CCC2=O ZINC000065011065 569648060 /nfs/dbraw/zinc/64/80/60/569648060.db2.gz RUOAJHNDKHXXQM-UHFFFAOYSA-N 0 0 472.954 4.018 50 0 JIAARN CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000065021017 569648418 /nfs/dbraw/zinc/64/84/18/569648418.db2.gz FTNMNUFQOOUSDU-UHFFFAOYSA-N 0 0 476.042 4.131 50 0 JIAARN O=C(c1ccccc1)N1CCN(c2nc3cc(Cl)ccc3c3nnc(-c4ccco4)n32)CC1 ZINC000034700130 569648752 /nfs/dbraw/zinc/64/87/52/569648752.db2.gz WFINAIRVSMSILG-UHFFFAOYSA-N 0 0 458.909 4.153 50 0 JIAARN CC[C@H](C(=O)N1CCCN(c2nc3cc(Cl)ccc3c3nnc(C)n32)CC1)c1ccccc1 ZINC000034700092 569648754 /nfs/dbraw/zinc/64/87/54/569648754.db2.gz QRFFGWWWWQGFAA-FQEVSTJZSA-N 0 0 462.985 4.472 50 0 JIAARN C[C@@H]1CN(c2nc3ccccc3c3nnc(-c4ccco4)n32)CCN1C(=O)c1c(F)cccc1F ZINC000034706529 569649693 /nfs/dbraw/zinc/64/96/93/569649693.db2.gz 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CCCCNC(=O)N1C[C@@H](c2ccc(F)c(C)c2)C[C@H](C(=O)NCCc2ccccc2OC)C1 ZINC000034740029 569655067 /nfs/dbraw/zinc/65/50/67/569655067.db2.gz IPHYJFGZGWEFDY-GOTSBHOMSA-N 0 0 469.601 4.417 50 0 JIAARN CC(C)Oc1ccc(CNC(=O)CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000065062055 569655622 /nfs/dbraw/zinc/65/56/22/569655622.db2.gz XMYHHPKHERMVMV-UHFFFAOYSA-N 0 0 471.044 4.296 50 0 JIAARN CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)nc1 ZINC000065063356 569656427 /nfs/dbraw/zinc/65/64/27/569656427.db2.gz JFSJTGLWDPBGDK-MRXNPFEDSA-N 0 0 455.536 4.212 50 0 JIAARN CC[C@H](C)NC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)nc1 ZINC000065063382 569656507 /nfs/dbraw/zinc/65/65/07/569656507.db2.gz PSJQQQMCFQCKGJ-INIZCTEOSA-N 0 0 482.562 4.161 50 0 JIAARN CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2)nc1 ZINC000065063563 569656744 /nfs/dbraw/zinc/65/67/44/569656744.db2.gz AUPWAJXGJSCBOO-QGZVFWFLSA-N 0 0 496.589 4.470 50 0 JIAARN O=C(c1ccc(Cl)cc1)N1CCc2nc(N3CCOCC3)nc(Oc3ccc(F)c(F)c3)c2C1 ZINC000034758310 569657225 /nfs/dbraw/zinc/65/72/25/569657225.db2.gz XVBUBJMCUDNXMX-UHFFFAOYSA-N 0 0 486.906 4.236 50 0 JIAARN COc1cc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2C)cc(OC)c1 ZINC000065075069 569657514 /nfs/dbraw/zinc/65/75/14/569657514.db2.gz PYZLGDAPQPAYHW-MUUNZHRXSA-N 0 0 458.558 4.286 50 0 JIAARN COC(=O)c1cccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccc(Cl)cc2)c1 ZINC000065075111 569657597 /nfs/dbraw/zinc/65/75/97/569657597.db2.gz OBFPGCPMOGHJFN-SANMLTNESA-N 0 0 462.933 4.405 50 0 JIAARN CN(Cc1ccco1)S(=O)(=O)[C@@H]1CON(C)[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000034760798 569657664 /nfs/dbraw/zinc/65/76/64/569657664.db2.gz TUCFXLFASDFEAD-FGZHOGPDSA-N 0 0 462.955 4.474 50 0 JIAARN CC(C)N1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4cccc(F)c4)C3=O)c2)CC1 ZINC000034761796 569657935 /nfs/dbraw/zinc/65/79/35/569657935.db2.gz UAPFGHBJZBHTJS-JCMHNJIXSA-N 0 0 467.566 4.228 50 0 JIAARN 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OAZQUOIMVVTVEA-IBVKSMDESA-N 0 0 465.663 4.335 50 0 JIAARN Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)C2CCCC2)[C@H](C)C1 ZINC000034829840 569663353 /nfs/dbraw/zinc/66/33/53/569663353.db2.gz AMAKCKIIEHOEBB-FQRUVTKNSA-N 0 0 465.663 4.254 50 0 JIAARN O=C(C1CCN(c2nccnc2Sc2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065102648 569664475 /nfs/dbraw/zinc/66/44/75/569664475.db2.gz RNCJHZXHQGHXQH-UHFFFAOYSA-N 0 0 477.609 4.332 50 0 JIAARN COc1ccc(-n2c(=O)c3sccc3n(Cc3nc(-c4ccc(Cl)c(F)c4)no3)c2=O)cc1 ZINC000065112756 569664957 /nfs/dbraw/zinc/66/49/57/569664957.db2.gz IFZVJFIVZPIOPU-UHFFFAOYSA-N 0 0 484.896 4.113 50 0 JIAARN Cc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)N3CCN(Cc4ccccc4)CC3)ccc12 ZINC000034835993 569665302 /nfs/dbraw/zinc/66/53/02/569665302.db2.gz FGNRQVVCJSURPM-UHFFFAOYSA-N 0 0 499.586 4.221 50 0 JIAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC2CC2)C(=O)C2CCC2)cc1OC ZINC000034856508 569667475 /nfs/dbraw/zinc/66/74/75/569667475.db2.gz STFHTCIRYRIOQM-UHFFFAOYSA-N 0 0 468.594 4.215 50 0 JIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cn(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1 ZINC000065131240 569667528 /nfs/dbraw/zinc/66/75/28/569667528.db2.gz ZJZBSCLJAXSZDF-UHFFFAOYSA-N 0 0 478.496 4.318 50 0 JIAARN CCn1nccc1-c1cccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)c1 ZINC000065137295 569668072 /nfs/dbraw/zinc/66/80/72/569668072.db2.gz KDSDELZJGBFATG-UHFFFAOYSA-N 0 0 477.590 4.497 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3F)cn2C)sc1C(=O)N1CCCC1 ZINC000065137441 569668274 /nfs/dbraw/zinc/66/82/74/569668274.db2.gz YKBCARDBRFSPMS-UHFFFAOYSA-N 0 0 482.990 4.286 50 0 JIAARN Cc1nc(-c2cc(S(=O)(=O)NC[C@@H](C)c3ccccc3)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137517 569668355 /nfs/dbraw/zinc/66/83/55/569668355.db2.gz YIEVGPIYOWYETL-QGZVFWFLSA-N 0 0 486.663 4.165 50 0 JIAARN Cc1nn(Cc2ccc(C(=O)Nc3ccccc3F)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000065138499 569669025 /nfs/dbraw/zinc/66/90/25/569669025.db2.gz PHBKAVVMZQFHMM-UHFFFAOYSA-N 0 0 484.597 4.360 50 0 JIAARN Cc1nn(-c2ccccc2)c2nc(N(C)CC(=O)NCc3ccc(Br)cc3)sc12 ZINC000065294080 569670221 /nfs/dbraw/zinc/67/02/21/569670221.db2.gz PNLVHBXKXPCGGA-UHFFFAOYSA-N 0 0 470.396 4.306 50 0 JIAARN COc1ccc(C(=O)NC2CCN(c3nc4c(s3)c(C)nn4-c3ccc(F)cc3)CC2)cc1 ZINC000065299628 569670959 /nfs/dbraw/zinc/67/09/59/569670959.db2.gz CTDAEDPIIDVVPE-UHFFFAOYSA-N 0 0 465.554 4.337 50 0 JIAARN COc1cccc(CO[C@H](CN2CCN(C(=O)c3ccccn3)CC2)c2ccc(Cl)cc2)c1 ZINC000034915545 569671874 /nfs/dbraw/zinc/67/18/74/569671874.db2.gz YPHMPBDEDWJGON-RUZDIDTESA-N 0 0 465.981 4.460 50 0 JIAARN CCCCS(=O)(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)c2cccs2)c1 ZINC000034921874 569672576 /nfs/dbraw/zinc/67/25/76/569672576.db2.gz GARQDEUVNWXZNN-FQEVSTJZSA-N 0 0 479.668 4.177 50 0 JIAARN C[C@H]1CN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)nc2Nc2cccc(F)c2)C[C@H](C)O1 ZINC000034921970 569672738 /nfs/dbraw/zinc/67/27/38/569672738.db2.gz SBKBQOQGJQQJLF-GJZGRUSLSA-N 0 0 450.470 4.004 50 0 JIAARN COc1ccc(NC(=O)CCN(CC(C)C)C(=O)c2cc(-c3cccc(OC)c3)on2)cc1 ZINC000034922619 569672848 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Cc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c1CCO ZINC000067301199 569686544 /nfs/dbraw/zinc/68/65/44/569686544.db2.gz GJSXSJXZCIUREY-UHFFFAOYSA-N 0 0 499.411 4.430 50 0 JIAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c1CCO ZINC000067301775 569686757 /nfs/dbraw/zinc/68/67/57/569686757.db2.gz OKEZLYCSSWOWGB-UHFFFAOYSA-N 0 0 465.859 4.064 50 0 JIAARN Cc1ccc(C)c(NC(=O)Cn2c(=O)cc(-c3nc(-c4ccccn4)no3)c3ccccc32)c1 ZINC000067318464 569687095 /nfs/dbraw/zinc/68/70/95/569687095.db2.gz IWMOCFMOYXRRQM-UHFFFAOYSA-N 0 0 451.486 4.369 50 0 JIAARN Cc1ccc(CNC(=O)Cn2c(=O)cc(-c3nc(-c4ccccn4)no3)c3ccccc32)cc1C ZINC000067318630 569687105 /nfs/dbraw/zinc/68/71/05/569687105.db2.gz WKGFVURGUWFWDR-UHFFFAOYSA-N 0 0 465.513 4.047 50 0 JIAARN Cc1c(C(=O)Nc2ccc(C)cc2Br)nnn1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000067323155 569687453 /nfs/dbraw/zinc/68/74/53/569687453.db2.gz MWANZDAMNBQAJF-UHFFFAOYSA-N 0 0 480.725 4.341 50 0 JIAARN COc1ccc(OC)c(CNC(=O)c2ccc(Oc3nccnc3N3CCC(C)CC3)cc2)c1 ZINC000067334482 569687551 /nfs/dbraw/zinc/68/75/51/569687551.db2.gz ACWUUSSVZWFHKA-UHFFFAOYSA-N 0 0 462.550 4.452 50 0 JIAARN COc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000067689476 569689463 /nfs/dbraw/zinc/68/94/63/569689463.db2.gz NWUDROFFQZHZKR-UHFFFAOYSA-N 0 0 484.339 4.166 50 0 JIAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(CC(=O)NCc4ccc(F)cc4)c3c2=O)cc1 ZINC000035400041 569690476 /nfs/dbraw/zinc/69/04/76/569690476.db2.gz DEWPWMOILNXBRF-UHFFFAOYSA-N 0 0 484.531 4.172 50 0 JIAARN COc1ccc(Cn2c(SCC(=O)Nc3cccc(NC(C)=O)c3)nc3ccsc3c2=O)cc1 ZINC000067689879 569690491 /nfs/dbraw/zinc/69/04/91/569690491.db2.gz HXUKRFOHTQHFEO-UHFFFAOYSA-N 0 0 494.598 4.204 50 0 JIAARN COc1cccc(Cn2c(SCC(=O)Nc3ccc(OC)cc3OC)nc3ccsc3c2=O)c1 ZINC000067689931 569690537 /nfs/dbraw/zinc/69/05/37/569690537.db2.gz RRRGJXARJHNAQO-UHFFFAOYSA-N 0 0 497.598 4.263 50 0 JIAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccc(F)cc2)c1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000067694767 569690618 /nfs/dbraw/zinc/69/06/18/569690618.db2.gz UCAPJCWEHRCABE-UHFFFAOYSA-N 0 0 478.332 4.358 50 0 JIAARN CN(C(=O)CN1CC=C(c2cnn(-c3ccccc3)c2)CC1)c1ccc(Br)cc1 ZINC000035404129 569691602 /nfs/dbraw/zinc/69/16/02/569691602.db2.gz JLNXXBDSTJXVME-UHFFFAOYSA-N 0 0 451.368 4.387 50 0 JIAARN O=C(CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCc1ccc(C(F)(F)F)cc1 ZINC000035404527 569691621 /nfs/dbraw/zinc/69/16/21/569691621.db2.gz CJBFZKIWHSORSN-UHFFFAOYSA-N 0 0 458.459 4.436 50 0 JIAARN CCCc1nc(NC(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)sc1CC ZINC000068737682 569691895 /nfs/dbraw/zinc/69/18/95/569691895.db2.gz BSUCRLWPPRRMRI-UHFFFAOYSA-N 0 0 491.683 4.147 50 0 JIAARN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 ZINC000035414204 569692145 /nfs/dbraw/zinc/69/21/45/569692145.db2.gz DQGPEIAUHDTKRQ-UHFFFAOYSA-N 0 0 495.601 4.198 50 0 JIAARN COc1ccc(OC)c(NC(=O)Cn2nc3c(Oc4cccc(C)c4C)nc4ccccc4n3c2=O)c1 ZINC000035425244 569693453 /nfs/dbraw/zinc/69/34/53/569693453.db2.gz NWEWMXPCEGBXAY-UHFFFAOYSA-N 0 0 499.527 4.109 50 0 JIAARN Cc1ccc(NC(=O)Cc2nc(CSc3nnc(N4CCCC4)n3C[C@@H]3CCCO3)cs2)cc1 ZINC000069946411 569694152 /nfs/dbraw/zinc/69/41/52/569694152.db2.gz IAGZPAQZSASBIG-FQEVSTJZSA-N 0 0 498.678 4.296 50 0 JIAARN CC(C)c1ccc(NC(=O)CN2c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3CCC2=O)cc1 ZINC000035428832 569694693 /nfs/dbraw/zinc/69/46/93/569694693.db2.gz YABQHUZPKUCDSR-UHFFFAOYSA-N 0 0 483.634 4.149 50 0 JIAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cc(C)cc(C)c1)C(=O)[C@@H]1CCCCN21 ZINC000035445707 569695647 /nfs/dbraw/zinc/69/56/47/569695647.db2.gz UTIHRAKMNZOLPT-QHCPKHFHSA-N 0 0 462.594 4.130 50 0 JIAARN Cc1ccc(C)c(NC(=O)CN2c3cc(C(=O)N4CCCCC4)ccc3N3CCCC[C@H]3C2=O)c1 ZINC000035446073 569695871 /nfs/dbraw/zinc/69/58/71/569695871.db2.gz KEHNMOSACFPBEI-DEOSSOPVSA-N 0 0 474.605 4.274 50 0 JIAARN COc1ccc(NC(=O)N2CCCN(c3nc4cc(F)ccc4n4cccc34)CC2)cc1OC ZINC000035447755 569696168 /nfs/dbraw/zinc/69/61/68/569696168.db2.gz HJKQYGCWNINYHA-UHFFFAOYSA-N 0 0 463.513 4.388 50 0 JIAARN Cc1c(C(=O)NCc2ccc(F)c(Cl)c2)cnn1-c1ccc(-c2nc(C(C)C)no2)cn1 ZINC000071768692 569697730 /nfs/dbraw/zinc/69/77/30/569697730.db2.gz OBGNZRFXSIVUDV-UHFFFAOYSA-N 0 0 454.893 4.472 50 0 JIAARN COc1cc(OC)cc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000035511900 569698472 /nfs/dbraw/zinc/69/84/72/569698472.db2.gz QQBHHLJPZOVNET-UHFFFAOYSA-N 0 0 450.922 4.490 50 0 JIAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000035512496 569698482 /nfs/dbraw/zinc/69/84/82/569698482.db2.gz YCESKEVTJQDMHF-UHFFFAOYSA-N 0 0 473.507 4.120 50 0 JIAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCC1(c2cccc(F)c2)CCOCC1)c1cccs1 ZINC000071823528 569698788 /nfs/dbraw/zinc/69/87/88/569698788.db2.gz OXQKLVQYGAFUJI-QFIPXVFZSA-N 0 0 466.578 4.093 50 0 JIAARN CCCCCn1c2nnc(CCC(=O)NC[C@H](C)c3ccccc3)n2c2ccsc2c1=O ZINC000035528639 569699877 /nfs/dbraw/zinc/69/98/77/569699877.db2.gz GVTRBGBFCQSCKZ-KRWDZBQOSA-N 0 0 451.596 4.148 50 0 JIAARN CC(C)Cn1c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2c2ccsc2c1=O ZINC000035531804 569700456 /nfs/dbraw/zinc/70/04/56/569700456.db2.gz HRPSYTXHOSIGNE-UHFFFAOYSA-N 0 0 465.963 4.285 50 0 JIAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1ncnc2nc(N3CCSCC3)sc21 ZINC000035532888 569701001 /nfs/dbraw/zinc/70/10/01/569701001.db2.gz WFMPRRRQLTZPGJ-UHFFFAOYSA-N 0 0 482.056 4.341 50 0 JIAARN CCOC(=O)c1ccccc1NC(=O)CSc1ncnc2nc(N3CCC[C@@H](C)C3)sc21 ZINC000035533489 569701132 /nfs/dbraw/zinc/70/11/32/569701132.db2.gz DCXOEMRIXRGYAD-CQSZACIVSA-N 0 0 471.608 4.230 50 0 JIAARN COc1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)cc1OC ZINC000035533530 569701150 /nfs/dbraw/zinc/70/11/50/569701150.db2.gz IWCJDLXFFURSPA-CYBMUJFWSA-N 0 0 459.597 4.071 50 0 JIAARN COc1cccc(CNC(=O)CSc2ncnc3nc(N4CCc5ccccc5C4)sc32)c1 ZINC000035533888 569701188 /nfs/dbraw/zinc/70/11/88/569701188.db2.gz LBJRAFSDEKIEMN-UHFFFAOYSA-N 0 0 477.615 4.066 50 0 JIAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1cccc(Br)c1 ZINC000035535081 569701673 /nfs/dbraw/zinc/70/16/73/569701673.db2.gz ZXJQXIXIVNMOIG-UHFFFAOYSA-N 0 0 476.330 4.337 50 0 JIAARN O=C(Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Br)ccc21)Nc1ccccc1 ZINC000035535315 569701812 /nfs/dbraw/zinc/70/18/12/569701812.db2.gz FQIVIKQGULOCDZ-UHFFFAOYSA-N 0 0 462.303 4.029 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CNC(=O)CCC1CCCC1)CC2 ZINC000072282663 569701906 /nfs/dbraw/zinc/70/19/06/569701906.db2.gz LDAMZPCGXNYCIR-VWLOTQADSA-N 0 0 456.608 4.326 50 0 JIAARN CCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)C1 ZINC000072314387 569702012 /nfs/dbraw/zinc/70/20/12/569702012.db2.gz KCCUYMBQVXVUPQ-HSZRJFAPSA-N 0 0 487.578 4.127 50 0 JIAARN C[C@H](CCC(=O)NCc1ccncc1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072326158 569702231 /nfs/dbraw/zinc/70/22/31/569702231.db2.gz ZCMMGXWHAKYRQX-XDZGTSNGSA-N 0 0 498.708 4.076 50 0 biogenic JIAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000035539408 569702261 /nfs/dbraw/zinc/70/22/61/569702261.db2.gz KRWKPDGSSIRCAJ-UHFFFAOYSA-N 0 0 465.000 4.148 50 0 JIAARN CCc1nc(-c2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c(C)s2)no1 ZINC000035554682 569702744 /nfs/dbraw/zinc/70/27/44/569702744.db2.gz SAZWJKIIQPWGTJ-UHFFFAOYSA-N 0 0 474.608 4.017 50 0 JIAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(CC)cc4)C3)c(C)s2)no1 ZINC000035555612 569702924 /nfs/dbraw/zinc/70/29/24/569702924.db2.gz GAGWMIFHQMUFHV-QGZVFWFLSA-N 0 0 488.635 4.271 50 0 JIAARN CCc1ccc(CNC(=O)C[C@@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000035559267 569703705 /nfs/dbraw/zinc/70/37/05/569703705.db2.gz GSRIRUAYHFLMHD-RUZDIDTESA-N 0 0 466.578 4.383 50 0 JIAARN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@H](c1ccc(C(=O)N(C)c3ccccc3)cc1)CC(=O)N2 ZINC000072405792 569703885 /nfs/dbraw/zinc/70/38/85/569703885.db2.gz FUWCXUCFUJOIHV-IBGZPJMESA-N 0 0 478.516 4.247 50 0 JIAARN CCn1c(C(=O)N2CCC(Cc3ccccc3)CC2)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000035561213 569704311 /nfs/dbraw/zinc/70/43/11/569704311.db2.gz WYKSZFUSOHVLKI-UHFFFAOYSA-N 0 0 453.608 4.006 50 0 JIAARN Cn1nc(C2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)n(-c2ccccc2)c1=O ZINC000077100646 569704829 /nfs/dbraw/zinc/70/48/29/569704829.db2.gz JDXSGTFCCBFZQF-UHFFFAOYSA-N 0 0 493.917 4.061 50 0 JIAARN O=C(Cn1c(=O)oc2ccccc21)N(CCn1cccn1)c1nc2c(cccc2C(F)(F)F)s1 ZINC000077177572 569704999 /nfs/dbraw/zinc/70/49/99/569704999.db2.gz BHRDGXILNGPUMV-UHFFFAOYSA-N 0 0 487.463 4.153 50 0 JIAARN Cc1nn(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(F)cc2)c(=O)c2c1cnn2C(C)(C)C ZINC000035589851 569705007 /nfs/dbraw/zinc/70/50/07/569705007.db2.gz VVJJKJBJQLJFPV-FQEVSTJZSA-N 0 0 492.580 4.235 50 0 JIAARN CCOC(=O)c1c2c(sc1NC(=O)c1sc3ncn(CCCOC)c(=O)c3c1C)CCCC2 ZINC000035672916 569706523 /nfs/dbraw/zinc/70/65/23/569706523.db2.gz GEYIKKKMRIFPLG-UHFFFAOYSA-N 0 0 489.619 4.172 50 0 JIAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3cccc(C)c3)C2)c1 ZINC000079112591 569706992 /nfs/dbraw/zinc/70/69/92/569706992.db2.gz XKHNBTKRAPYLQG-DEOSSOPVSA-N 0 0 483.615 4.297 50 0 JIAARN COc1cc2c(cc1OC)CN(C(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCCc3ccccc31)CC2 ZINC000080357583 569707812 /nfs/dbraw/zinc/70/78/12/569707812.db2.gz FYVNYXUOJKZNPV-BJKOFHAPSA-N 0 0 479.621 4.380 50 0 biogenic JIAARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)C3CCCCC3)cc2)C(C(=O)OCCOC)=C1C ZINC000035710213 569707811 /nfs/dbraw/zinc/70/78/11/569707811.db2.gz DKPWQFLWVMOTTO-JOCHJYFZSA-N 0 0 457.571 4.145 50 0 JIAARN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)s2)cc1 ZINC000035729371 569708956 /nfs/dbraw/zinc/70/89/56/569708956.db2.gz DUPIRQZEJQZEKH-HXUWFJFHSA-N 0 0 486.553 4.222 50 0 JIAARN COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000084640802 569709348 /nfs/dbraw/zinc/70/93/48/569709348.db2.gz ZWEMEDKVPUUQNO-MJAGHPIESA-N 0 0 481.662 4.381 50 0 JIAARN CC[C@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)CC)c1)C(=O)Nc1ccc(OC)cc1 ZINC000035770489 569710760 /nfs/dbraw/zinc/71/07/60/569710760.db2.gz BSRBABYIRRXTJV-INIZCTEOSA-N 0 0 450.557 4.265 50 0 JIAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCCC4)cs3)CC2)c1 ZINC000085641838 569711571 /nfs/dbraw/zinc/71/15/71/569711571.db2.gz HYERAUBSLMLXGQ-UHFFFAOYSA-N 0 0 489.663 4.112 50 0 JIAARN Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)CC1 ZINC000085641718 569711579 /nfs/dbraw/zinc/71/15/79/569711579.db2.gz IQDYRAQZJRJLKL-UHFFFAOYSA-N 0 0 489.663 4.112 50 0 JIAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000085642660 569711833 /nfs/dbraw/zinc/71/18/33/569711833.db2.gz HSBJULRTFJKURM-UHFFFAOYSA-N 0 0 487.025 4.490 50 0 JIAARN COCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)C1CCCC1 ZINC000035808128 569711841 /nfs/dbraw/zinc/71/18/41/569711841.db2.gz ZYINBINWTMJXRQ-UHFFFAOYSA-N 0 0 486.634 4.369 50 0 JIAARN Cc1ccc(Cl)cc1NC(=O)Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O ZINC000085644502 569712017 /nfs/dbraw/zinc/71/20/17/569712017.db2.gz RMCFHLPBVOASTN-UHFFFAOYSA-N 0 0 459.893 4.437 50 0 JIAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccc(C)c(C)c3)cn(CC(=O)Nc3c(C)cccc3C)c2n1 ZINC000085668234 569714821 /nfs/dbraw/zinc/71/48/21/569714821.db2.gz JJSJJBAPERYUHJ-UHFFFAOYSA-N 0 0 489.597 4.410 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cccc(F)c2)c1C ZINC000085712477 569715190 /nfs/dbraw/zinc/71/51/90/569715190.db2.gz GZMJMNLABGQXAB-UHFFFAOYSA-N 0 0 474.554 4.347 50 0 JIAARN CC[C@@H](C)[C@@H](NC(=O)c1ccc(OC)cc1)c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000035845294 569715790 /nfs/dbraw/zinc/71/57/90/569715790.db2.gz IZHSFHNGWXILIH-JLTOFOAXSA-N 0 0 455.511 4.288 50 0 JIAARN Cc1c(-c2nc(-c3cccc(Cl)c3)no2)sc2ncn(CC(=O)NCCC(C)C)c(=O)c12 ZINC000085942147 569716700 /nfs/dbraw/zinc/71/67/00/569716700.db2.gz RKPHWNIDWYECJE-UHFFFAOYSA-N 0 0 471.970 4.299 50 0 JIAARN CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)cc1OC ZINC000086057632 569717484 /nfs/dbraw/zinc/71/74/84/569717484.db2.gz ALJGVHDJQZNYSU-INIZCTEOSA-N 0 0 469.538 4.473 50 0 JIAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4F)CC2)n1)CCN(CC)C3 ZINC000035868016 569717981 /nfs/dbraw/zinc/71/79/81/569717981.db2.gz BOOAPXMKSGDGLL-UHFFFAOYSA-N 0 0 467.614 4.123 50 0 JIAARN Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)c2cc1Cl ZINC000089609038 569719153 /nfs/dbraw/zinc/71/91/53/569719153.db2.gz ITEVVXYSTYHPKH-UHFFFAOYSA-N 0 0 487.021 4.140 50 0 JIAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000089633460 569719283 /nfs/dbraw/zinc/71/92/83/569719283.db2.gz FGMXLPJDDNRUAO-DEOSSOPVSA-N 0 0 484.021 4.335 50 0 JIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(Cc2ccccc2F)C(=O)[C@@H](C)O3)cc1OC ZINC000035884589 569720142 /nfs/dbraw/zinc/72/01/42/569720142.db2.gz HMOKLWIFVKHXCU-MRXNPFEDSA-N 0 0 464.493 4.405 50 0 JIAARN O=C(Cn1cnc2ccccc21)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000089878664 569720239 /nfs/dbraw/zinc/72/02/39/569720239.db2.gz GSPUXTUTEOEQLO-NRFANRHFSA-N 0 0 462.893 4.204 50 0 JIAARN COc1cccc(CC(=O)Nc2ccc3c(c2)CN(CCc2ccccc2OC)C(=O)[C@H](C)O3)c1 ZINC000035884892 569720252 /nfs/dbraw/zinc/72/02/52/569720252.db2.gz MJCQBGDMVNYGMC-IBGZPJMESA-N 0 0 474.557 4.237 50 0 JIAARN COc1ccc(C(C)=O)c(OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)c1 ZINC000089929831 569720509 /nfs/dbraw/zinc/72/05/09/569720509.db2.gz XLGPEVLJGNSUHW-AWEZNQCLSA-N 0 0 465.955 4.191 50 0 JIAARN CCCSc1nc2ccccc2n1CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000089960407 569720626 /nfs/dbraw/zinc/72/06/26/569720626.db2.gz TVXNHFJUDBKYQF-UHFFFAOYSA-N 0 0 458.653 4.119 50 0 JIAARN Cc1cccc(-c2nc(C)c(C(C)C)c(N3CCN(S(=O)(=O)c4ccccc4)CC3)n2)c1 ZINC000035891172 569721956 /nfs/dbraw/zinc/72/19/56/569721956.db2.gz JEFKFFMJSLYNRN-UHFFFAOYSA-N 0 0 450.608 4.395 50 0 JIAARN CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4F)CC3)C2=O)cc1 ZINC000095349888 569722641 /nfs/dbraw/zinc/72/26/41/569722641.db2.gz KFZICEFEKRUAJC-XMMPIXPASA-N 0 0 453.558 4.239 50 0 JIAARN O=C(NC[C@@H]1CCCO1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000035907794 569723457 /nfs/dbraw/zinc/72/34/57/569723457.db2.gz RTZKPYMTHQJBNQ-YDHSSHFGSA-N 0 0 477.502 4.007 50 0 JIAARN O=C(NCc1cccnc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000035907791 569723486 /nfs/dbraw/zinc/72/34/86/569723486.db2.gz KBXHNWQQKMHFMX-RDPSFJRHSA-N 0 0 484.497 4.423 50 0 JIAARN COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@@H](C(=O)NCC(C)C)[C@H]2C1 ZINC000035907827 569723518 /nfs/dbraw/zinc/72/35/18/569723518.db2.gz NXBOXIWQQHRHPQ-DENIHFKCSA-N 0 0 461.528 4.354 50 0 JIAARN CCCCC(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908259 569723953 /nfs/dbraw/zinc/72/39/53/569723953.db2.gz VQXHQLCKWYXOTN-UHFFFAOYSA-N 0 0 454.578 4.245 50 0 JIAARN COc1ccc2cc([C@@H]3SC(C)=Nc4c3c(=O)[nH]n4[C@H]3CCOC(C)(C)C3)c(=O)[nH]c2c1 ZINC000095474471 569724085 /nfs/dbraw/zinc/72/40/85/569724085.db2.gz BKEHFQLCTYRNQS-LIRRHRJNSA-N 0 0 454.552 4.043 50 0 JIAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)c3ccccc3OC)CC2)n1 ZINC000035908677 569724270 /nfs/dbraw/zinc/72/42/70/569724270.db2.gz XVTITXCDZZGQFZ-UHFFFAOYSA-N 0 0 484.604 4.438 50 0 JIAARN COc1ccc(S(=O)(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(F)cc3)cc2)cc1 ZINC000035910274 569725555 /nfs/dbraw/zinc/72/55/55/569725555.db2.gz HVNVPTWDFFILGG-QFIPXVFZSA-N 0 0 458.536 4.414 50 0 JIAARN Cc1ccc(C)c(-c2cc3c4nn(CC(=O)Nc5cccc(Cl)c5C)c(=O)n4ccn3n2)c1 ZINC000095535951 569725631 /nfs/dbraw/zinc/72/56/31/569725631.db2.gz NWSVODKOAVSCAH-UHFFFAOYSA-N 0 0 460.925 4.028 50 0 JIAARN COc1ccc2c(c1)N1CCN(c3ccccc3OC)C[C@@H]1[C@H](C(=O)Nc1ccc(F)cc1)C2 ZINC000035911070 569726198 /nfs/dbraw/zinc/72/61/98/569726198.db2.gz JMSBVDOOZGIHND-RCZVLFRGSA-N 0 0 461.537 4.349 50 0 JIAARN COCc1nc(C(C)C)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1ccccc1F ZINC000095544302 569726672 /nfs/dbraw/zinc/72/66/72/569726672.db2.gz HARJZRHZVAQSAR-UHFFFAOYSA-N 0 0 452.530 4.032 50 0 JIAARN CCN1CCN(C(=O)c2cc3cc(NC(=O)C(C)C)ccc3n2Cc2cccc(F)c2)CC1 ZINC000095545216 569726943 /nfs/dbraw/zinc/72/69/43/569726943.db2.gz XJICMMMKJJOMCN-UHFFFAOYSA-N 0 0 450.558 4.201 50 0 JIAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NC4CCCCC4)n3c2=O)nn1-c1cc(F)ccc1F ZINC000035911950 569727033 /nfs/dbraw/zinc/72/70/33/569727033.db2.gz BHKOVDDXQLPMHX-UHFFFAOYSA-N 0 0 497.571 4.495 50 0 JIAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)Cc3cccs3)CC2)n1 ZINC000035912747 569727806 /nfs/dbraw/zinc/72/78/06/569727806.db2.gz FWOKWCAVVRQKOZ-UHFFFAOYSA-N 0 0 474.634 4.419 50 0 JIAARN CC(C)Oc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(CCc3ccccc3)c4=O)n2)cc1 ZINC000095613891 569728264 /nfs/dbraw/zinc/72/82/64/569728264.db2.gz SCBBLXPLWHMIPU-UHFFFAOYSA-N 0 0 468.513 4.437 50 0 JIAARN COCCNC(=O)c1ccccc1CSc1nnc(-c2ccncc2)n1-c1ccccc1C ZINC000095925439 569730078 /nfs/dbraw/zinc/73/00/78/569730078.db2.gz LXRFGWBBKQIKDD-UHFFFAOYSA-N 0 0 459.575 4.306 50 0 JIAARN O=C(c1ccccc1CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCOCC1 ZINC000095925516 569730243 /nfs/dbraw/zinc/73/02/43/569730243.db2.gz BNNRKLAXZDBPBN-UHFFFAOYSA-N 0 0 471.586 4.153 50 0 JIAARN COc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccco3)=NN2S(C)(=O)=O)c1 ZINC000095945117 569730680 /nfs/dbraw/zinc/73/06/80/569730680.db2.gz QXZGSHJRLWCMJH-QFIPXVFZSA-N 0 0 462.531 4.252 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(c2nc3nn(Cc4ccccc4)c(N)c3c(-c3ccc(F)cc3)n2)C1 ZINC000035929887 569731403 /nfs/dbraw/zinc/73/14/03/569731403.db2.gz ZJOAYUAADHWOBH-LJQANCHMSA-N 0 0 474.540 4.042 50 0 JIAARN COc1cccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2cc3c(c(OC)c2)OCO3)c1 ZINC000096113976 569733151 /nfs/dbraw/zinc/73/31/51/569733151.db2.gz GUWDSXWCQTUUBL-OFVILXPXSA-N 0 0 487.464 4.071 50 0 biogenic JIAARN COC(=O)COc1cccc([C@H]2CC(=O)Oc3cc(OC)c4c(=O)cc(-c5ccccc5)oc4c32)c1 ZINC000096114756 569733879 /nfs/dbraw/zinc/73/38/79/569733879.db2.gz SYJICBIPZJHSET-LJQANCHMSA-N 0 0 486.476 4.461 50 0 biogenic JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1F)C(=O)c1ccccc1F ZINC000035946747 569733885 /nfs/dbraw/zinc/73/38/85/569733885.db2.gz YYIVUOIYXCGHLK-QFIPXVFZSA-N 0 0 483.540 4.493 50 0 JIAARN COc1cccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(O)c(OC)c2)c1 ZINC000096115130 569734041 /nfs/dbraw/zinc/73/40/41/569734041.db2.gz HYQUMAOVLKJQBG-XUZZJYLKSA-N 0 0 459.454 4.047 50 0 biogenic JIAARN Cn1c2ccccc2cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)c1=O ZINC000096115329 569734576 /nfs/dbraw/zinc/73/45/76/569734576.db2.gz ZNNNXMIMWRFXDT-KRWDZBQOSA-N 0 0 481.460 4.164 50 0 biogenic JIAARN Cc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1C ZINC000035947820 569734755 /nfs/dbraw/zinc/73/47/55/569734755.db2.gz MDGSNGXBSAJNIU-HSZRJFAPSA-N 0 0 461.562 4.358 50 0 JIAARN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)c(OC)c1 ZINC000096116026 569735045 /nfs/dbraw/zinc/73/50/45/569735045.db2.gz BWZHEZLWTVEFJZ-QGZVFWFLSA-N 0 0 460.438 4.329 50 0 biogenic JIAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)c2cccs2)cc1OC ZINC000035948397 569735364 /nfs/dbraw/zinc/73/53/64/569735364.db2.gz BOTMVOLFTCPRIV-KRWDZBQOSA-N 0 0 469.588 4.277 50 0 JIAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)cc1OC ZINC000035948406 569735381 /nfs/dbraw/zinc/73/53/81/569735381.db2.gz OJFSZMLLINDHQL-GOSISDBHSA-N 0 0 457.596 4.338 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1)C(=O)NC(C)C ZINC000035948892 569735701 /nfs/dbraw/zinc/73/57/01/569735701.db2.gz PKDJLDBTNZKIKQ-IBGZPJMESA-N 0 0 463.003 4.146 50 0 JIAARN O=C(CN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000096124618 569736106 /nfs/dbraw/zinc/73/61/06/569736106.db2.gz FRVGFYIYPUWKHW-RUZDIDTESA-N 0 0 467.516 4.442 50 0 JIAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccccc1)C(=O)NC(C)C ZINC000035949501 569736158 /nfs/dbraw/zinc/73/61/58/569736158.db2.gz IGSXANOHVZQSRV-XMMPIXPASA-N 0 0 450.583 4.048 50 0 JIAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccccc1Cl ZINC000035949474 569736201 /nfs/dbraw/zinc/73/62/01/569736201.db2.gz ZQYWQDDEFOHEQL-QHCPKHFHSA-N 0 0 471.001 4.312 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@H](c3ccccc3F)C2)c(OC)c1 ZINC000035961016 569736724 /nfs/dbraw/zinc/73/67/24/569736724.db2.gz WDJYOHIQRQBOQT-QHCPKHFHSA-N 0 0 467.541 4.169 50 0 JIAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000096179153 569737024 /nfs/dbraw/zinc/73/70/24/569737024.db2.gz CADHDHHYHAECGR-ZLNRFVROSA-N 0 0 464.905 4.408 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(C)cc1)C(=O)c1ccco1 ZINC000035961895 569737206 /nfs/dbraw/zinc/73/72/06/569737206.db2.gz SNEVOAOETDJUFP-DEOSSOPVSA-N 0 0 475.545 4.063 50 0 JIAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1)C(=O)c1cccc(F)c1 ZINC000035962599 569737753 /nfs/dbraw/zinc/73/77/53/569737753.db2.gz UTIFLJICSCQEHM-SANMLTNESA-N 0 0 489.547 4.301 50 0 JIAARN CCOc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccccc2)c1 ZINC000097105729 569744139 /nfs/dbraw/zinc/74/41/39/569744139.db2.gz LNLNMBFMOHQSCP-DEOSSOPVSA-N 0 0 463.559 4.448 50 0 JIAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000097104868 569744163 /nfs/dbraw/zinc/74/41/63/569744163.db2.gz RLPGXIMTRFDEPY-QHCPKHFHSA-N 0 0 482.558 4.261 50 0 JIAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)C3CC3)cc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000035992033 569744734 /nfs/dbraw/zinc/74/47/34/569744734.db2.gz HZTMTDLETREUDJ-DEOSSOPVSA-N 0 0 488.632 4.114 50 0 JIAARN CCOC(=O)c1c(C)c(C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccccc2Cl)c(C)n1CC ZINC000036000679 569745667 /nfs/dbraw/zinc/74/56/67/569745667.db2.gz DHEJGZVUNGUCPT-SFHVURJKSA-N 0 0 474.985 4.459 50 0 JIAARN CCc1nc2c(cnn2-c2ccc(C)cc2)c(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000036001954 569746098 /nfs/dbraw/zinc/74/60/98/569746098.db2.gz PNQIDOHQSWJXJD-UHFFFAOYSA-N 0 0 458.541 4.178 50 0 JIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CCc2ccccn2)C(=O)c2ccc(F)cc2)c1C ZINC000036004276 569746849 /nfs/dbraw/zinc/74/68/49/569746849.db2.gz MSHFFQCBFFVSAN-GOSISDBHSA-N 0 0 465.525 4.299 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036005815 569747282 /nfs/dbraw/zinc/74/72/82/569747282.db2.gz OFPIOQNRCDJTLO-UHFFFAOYSA-N 0 0 476.621 4.178 50 0 JIAARN CCN(CC)C(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCN(C(=O)Nc2ccccc2F)CC1 ZINC000036005948 569747284 /nfs/dbraw/zinc/74/72/84/569747284.db2.gz PLXOWVXLHSSLCR-UHFFFAOYSA-N 0 0 495.599 4.400 50 0 JIAARN CCOC(=O)[C@H]1CCCN(C(=O)CCN(CC(C)C)C(=O)c2cc(-c3ccccc3Cl)on2)C1 ZINC000036006013 569747455 /nfs/dbraw/zinc/74/74/55/569747455.db2.gz MDDQTBUHNJVJPZ-SFHVURJKSA-N 0 0 490.000 4.285 50 0 JIAARN Cc1cc(C)c(-c2cc(C(=O)N3CCC[C@H](C(=O)NCc4ccc5c(c4)OCO5)C3)no2)c(C)c1 ZINC000036015053 569749040 /nfs/dbraw/zinc/74/90/40/569749040.db2.gz WEEMSCPPBDXJNS-FQEVSTJZSA-N 0 0 475.545 4.164 50 0 JIAARN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NC[C@H]3CCCO3)Cc3ccco3)no2)c(C)c1 ZINC000036015671 569749170 /nfs/dbraw/zinc/74/91/70/569749170.db2.gz JDVHKROWDLRGPH-HXUWFJFHSA-N 0 0 465.550 4.188 50 0 JIAARN COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)NCc3ccc(F)cc3)CC(C)C)no2)c1 ZINC000036015344 569749184 /nfs/dbraw/zinc/74/91/84/569749184.db2.gz XZMKIEVZKFLKCI-UHFFFAOYSA-N 0 0 483.540 4.303 50 0 JIAARN CCOc1cc(/C=C2/N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc(Br)c1OC ZINC000097998220 569749181 /nfs/dbraw/zinc/74/91/81/569749181.db2.gz GJGWQNPVSOOUFP-LDADJPATSA-N 0 0 485.334 4.328 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(C(=O)CCN(C(=O)c2cc(-c3c(C)cc(C)cc3C)on2)C2CC2)C1 ZINC000036015760 569749256 /nfs/dbraw/zinc/74/92/56/569749256.db2.gz UGFAYBFSVVNLPX-HXUWFJFHSA-N 0 0 481.593 4.063 50 0 JIAARN CC(C)C(=O)Nc1ccc(N2CCCN(C(=O)C3CCCC3)CC2)c(C(=O)N2CCCCC2)c1 ZINC000036019471 569749918 /nfs/dbraw/zinc/74/99/18/569749918.db2.gz JCIACISWDPCCBE-UHFFFAOYSA-N 0 0 468.642 4.136 50 0 JIAARN CCn1c(C)c(C(=O)[C@H](C)N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)c(C)c1C(=O)OC ZINC000036025781 569750605 /nfs/dbraw/zinc/75/06/05/569750605.db2.gz DYSHYPZUFZSKTA-IBGZPJMESA-N 0 0 462.612 4.138 50 0 JIAARN CCn1c(C)c(C(=O)[C@@H](C)N(Cc2ccco2)C(=O)c2cccc(OC)c2)c(C)c1C(=O)OC ZINC000036025228 569750642 /nfs/dbraw/zinc/75/06/42/569750642.db2.gz MLGIPHJTPDPACD-GOSISDBHSA-N 0 0 466.534 4.427 50 0 JIAARN CCn1c(C)c(C(=O)[C@H](C)N(CCC(C)C)S(=O)(=O)c2ccccc2)c(C)c1C(=O)OC ZINC000036025815 569750713 /nfs/dbraw/zinc/75/07/13/569750713.db2.gz SQDQZZLKRRAVHS-IBGZPJMESA-N 0 0 462.612 4.220 50 0 JIAARN COc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccc(F)cc3Cl)n2)cc1F ZINC000098211438 569750859 /nfs/dbraw/zinc/75/08/59/569750859.db2.gz WIABXNVUBGWDQQ-UHFFFAOYSA-N 0 0 458.852 4.462 50 0 JIAARN CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CC1)C(=O)c1ccccc1 ZINC000036030507 569751608 /nfs/dbraw/zinc/75/16/08/569751608.db2.gz BDWSJDQLHIJHMY-UHFFFAOYSA-N 0 0 451.592 4.490 50 0 JIAARN Cc1ccccc1C(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@@H]1CCCO1)C1CC1 ZINC000036031073 569751922 /nfs/dbraw/zinc/75/19/22/569751922.db2.gz OMATXIUJMMIPJU-DEOSSOPVSA-N 0 0 493.629 4.149 50 0 JIAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1Cc1ccccc1)CC(C)C ZINC000036031581 569751976 /nfs/dbraw/zinc/75/19/76/569751976.db2.gz WQRRSXQGYVLXOI-UHFFFAOYSA-N 0 0 482.650 4.401 50 0 JIAARN CCNC(=S)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C ZINC000036031960 569752060 /nfs/dbraw/zinc/75/20/60/569752060.db2.gz FPMZIRGXCJOFQX-UHFFFAOYSA-N 0 0 474.652 4.003 50 0 JIAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1CC(C)C)C(=O)Cc1ccccc1 ZINC000036039611 569752626 /nfs/dbraw/zinc/75/26/26/569752626.db2.gz TUILQLJTOXMKGH-UHFFFAOYSA-N 0 0 497.661 4.039 50 0 JIAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1CC(C)C)C(=O)Cc1ccccc1 ZINC000036039745 569752694 /nfs/dbraw/zinc/75/26/94/569752694.db2.gz MYHUCFGTBIBTNL-UHFFFAOYSA-N 0 0 467.635 4.413 50 0 JIAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(Cc2ccco2)C(=O)C2CC2)n1CC(C)C ZINC000036039720 569752696 /nfs/dbraw/zinc/75/26/96/569752696.db2.gz KMDBQWGWSXPDDR-UHFFFAOYSA-N 0 0 469.607 4.353 50 0 JIAARN COCCn1c(CN(CC(C)C)C(=O)CC(C)(C)C)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000036039845 569752703 /nfs/dbraw/zinc/75/27/03/569752703.db2.gz MCMASWGXKPWYMJ-UHFFFAOYSA-N 0 0 481.634 4.063 50 0 JIAARN CC(C)C(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000036040235 569753039 /nfs/dbraw/zinc/75/30/39/569753039.db2.gz VZDDXJPXAKCYTA-RUZDIDTESA-N 0 0 495.645 4.069 50 0 JIAARN CC(C)C(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C1CC1 ZINC000036040208 569753055 /nfs/dbraw/zinc/75/30/55/569753055.db2.gz HFCBBONDYSIACJ-UHFFFAOYSA-N 0 0 451.592 4.052 50 0 JIAARN CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=O)NC(C)C ZINC000036040560 569753107 /nfs/dbraw/zinc/75/31/07/569753107.db2.gz XSGVUTMWBPDAQL-UHFFFAOYSA-N 0 0 482.650 4.481 50 0 JIAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)CC(C)C ZINC000036040559 569753137 /nfs/dbraw/zinc/75/31/37/569753137.db2.gz LVBSDLRKWNGSHM-UHFFFAOYSA-N 0 0 468.623 4.093 50 0 JIAARN COc1ccc(C(=O)NC[C@@H]2c3cc(OC)c(OC)cc3CCN2Cc2ccc(F)cc2)cc1 ZINC000036040790 569753357 /nfs/dbraw/zinc/75/33/57/569753357.db2.gz OJWMAHBGYUAYOJ-XMMPIXPASA-N 0 0 464.537 4.381 50 0 JIAARN COCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NC(C)C)o2)n1 ZINC000036040895 569753531 /nfs/dbraw/zinc/75/35/31/569753531.db2.gz RSCJOOFNCUUHJY-UHFFFAOYSA-N 0 0 499.612 4.112 50 0 JIAARN COc1ccc(C(=O)NC[C@@H]2c3cc(OC)c(OC)cc3CCN2Cc2ccccc2F)cc1 ZINC000036041004 569753729 /nfs/dbraw/zinc/75/37/29/569753729.db2.gz ISYWGVYDARFETR-XMMPIXPASA-N 0 0 464.537 4.381 50 0 JIAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC000036041878 569753785 /nfs/dbraw/zinc/75/37/85/569753785.db2.gz XHABUFZJBYFYTM-KAYWLYCHSA-N 0 0 483.612 4.208 50 0 JIAARN CCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)CC(C)C)C2CC2)c1 ZINC000036042530 569754039 /nfs/dbraw/zinc/75/40/39/569754039.db2.gz XSMRYAODSPEDNT-UHFFFAOYSA-N 0 0 460.578 4.914 50 0 JIAARN CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3CC(=O)Nc2cccc(Cl)c2)CO1 ZINC000100155415 569754215 /nfs/dbraw/zinc/75/42/15/569754215.db2.gz WAYZGNSSVSYMBK-UHFFFAOYSA-N 0 0 498.992 4.129 50 0 JIAARN COc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=O)Nc3ccc(F)cc3)C2=O)cc1 ZINC000100167040 569754662 /nfs/dbraw/zinc/75/46/62/569754662.db2.gz QGZAKLFYMQEVSD-QHCPKHFHSA-N 0 0 461.493 4.243 50 0 JIAARN CCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044405 569755003 /nfs/dbraw/zinc/75/50/03/569755003.db2.gz QUDTYIUMLKIMKP-RTBURBONSA-N 0 0 474.985 4.138 50 0 JIAARN COc1cc([C@@H]2CN(C(=O)c3ccccc3)C[C@@H]2C(=O)NCc2ccc(F)cc2)cc(OC)c1OC ZINC000036044259 569755014 /nfs/dbraw/zinc/75/50/14/569755014.db2.gz LKWUGTUIEWTJPH-GOTSBHOMSA-N 0 0 492.547 4.024 50 0 JIAARN COc1cc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)N2CCCCC2)cc(OC)c1OC ZINC000036044539 569755186 /nfs/dbraw/zinc/75/51/86/569755186.db2.gz XXSHWQPDUDWRIL-LEWJYISDSA-N 0 0 486.996 4.234 50 0 JIAARN O=C(CN(C(=O)Cc1ccccc1)C1CC1)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1 ZINC000036044854 569755272 /nfs/dbraw/zinc/75/52/72/569755272.db2.gz ZJOMUQUCSNXDIB-UHFFFAOYSA-N 0 0 468.532 4.851 50 0 JIAARN CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccccc1)C(=O)c1ccc2c(c1)OCO2 ZINC000036044789 569755291 /nfs/dbraw/zinc/75/52/91/569755291.db2.gz JZGCYZDHWVOBHY-UHFFFAOYSA-N 0 0 498.539 4.377 50 0 JIAARN O=C1C[C@@H](N2CCC(Nc3ccc(OC(F)(F)F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100215073 569755621 /nfs/dbraw/zinc/75/56/21/569755621.db2.gz ZZVCWIMICOFQNJ-LJQANCHMSA-N 0 0 467.875 4.447 50 0 JIAARN CC(C)c1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C[C@@H]2CCCO2)C(=O)C2CC2)cc1 ZINC000036048115 569755697 /nfs/dbraw/zinc/75/56/97/569755697.db2.gz ZLWLSXCQLLXFFI-VWLOTQADSA-N 0 0 486.616 5.019 50 0 JIAARN COc1cc2c(cc1OC)[C@@H](CNC(=S)NC(C)C)N(C(=O)Nc1cccc(C)c1)CC2 ZINC000036048550 569756114 /nfs/dbraw/zinc/75/61/14/569756114.db2.gz DKKICZSWKHWDCJ-HXUWFJFHSA-N 0 0 456.612 4.016 50 0 JIAARN COCCN(CC(=O)Nc1nc(-c2cccc(OC)c2)cn1-c1ccc(OC)cc1)C(=O)CC(C)C ZINC000036049228 569756119 /nfs/dbraw/zinc/75/61/19/569756119.db2.gz PISSIIHOGKKCPQ-UHFFFAOYSA-N 0 0 494.592 4.016 50 0 JIAARN COc1ccc(-c2cn(-c3ccc(F)cc3)c(NC(=O)CN(C(=O)CC(C)C)C3CC3)n2)cc1 ZINC000036051914 569756562 /nfs/dbraw/zinc/75/65/62/569756562.db2.gz SQKBKOVHTOCJFF-UHFFFAOYSA-N 0 0 464.541 4.663 50 0 JIAARN CCCNC(=O)N(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)[C@@H](C)CC ZINC000036082524 569756643 /nfs/dbraw/zinc/75/66/43/569756643.db2.gz PGGRJUQAQPZGHH-IBGZPJMESA-N 0 0 487.048 4.056 50 0 JIAARN COCCNC(=O)c1cccc(Nc2c(Oc3cccc(OC)c3)cnn(-c3ccccc3)c2=O)c1 ZINC000036063747 569756680 /nfs/dbraw/zinc/75/66/80/569756680.db2.gz XIKKBWDVUUHEBJ-UHFFFAOYSA-N 0 0 486.528 4.153 50 0 JIAARN O=C(NCc1ccco1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036251741 569758469 /nfs/dbraw/zinc/75/84/69/569758469.db2.gz WPJDOMKZXLOKQU-NRFANRHFSA-N 0 0 464.393 4.219 50 0 JIAARN O=C(NCc1ccc(F)cc1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036253253 569758631 /nfs/dbraw/zinc/75/86/31/569758631.db2.gz GZFSKEQCLZHRGN-QHCPKHFHSA-N 0 0 457.977 4.112 50 0 JIAARN O=C(NCc1ccccn1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036253486 569758654 /nfs/dbraw/zinc/75/86/54/569758654.db2.gz SHFKFCRRLARMGU-QFIPXVFZSA-N 0 0 475.420 4.021 50 0 JIAARN Cc1cccc(CNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000036255239 569758782 /nfs/dbraw/zinc/75/87/82/569758782.db2.gz SPEPBDIYLWVDSJ-DEOSSOPVSA-N 0 0 454.014 4.281 50 0 JIAARN COc1ccc(CCNC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000036255595 569758836 /nfs/dbraw/zinc/75/88/36/569758836.db2.gz ZGOCQRZNHLGMNQ-RUZDIDTESA-N 0 0 484.040 4.024 50 0 JIAARN CN1CCN(c2onc(-c3ccc(F)cc3)c2CN(C[C@@H]2CCCO2)C(=O)c2cccs2)CC1 ZINC000036312225 569760041 /nfs/dbraw/zinc/76/00/41/569760041.db2.gz QKHSPYZGDSDRGJ-FQEVSTJZSA-N 0 0 484.597 4.115 50 0 JIAARN COc1cccc(C(=O)N(Cc2c(-c3ccccc3F)noc2N2CCOCC2)C[C@@H]2CCCO2)c1 ZINC000036313318 569760786 /nfs/dbraw/zinc/76/07/86/569760786.db2.gz MUDQUSMZMGLKQM-NRFANRHFSA-N 0 0 495.551 4.147 50 0 JIAARN CCc1nc(C)nc(N2CCN(C[C@H](O)COc3ccccc3C)CC2)c1Cc1cccc(C)c1 ZINC000036340675 569763939 /nfs/dbraw/zinc/76/39/39/569763939.db2.gz JYXZPWNPSDBXCI-VWLOTQADSA-N 0 0 474.649 4.117 50 0 JIAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000036341125 569764329 /nfs/dbraw/zinc/76/43/29/569764329.db2.gz MIRBXXLTGILJHX-XMMPIXPASA-N 0 0 483.996 4.301 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@H](c3ccccc3Cl)C2)cc1 ZINC000036342528 569765731 /nfs/dbraw/zinc/76/57/31/569765731.db2.gz JTUPIPGVTHBZQR-QHCPKHFHSA-N 0 0 453.970 4.165 50 0 JIAARN COc1ccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@@H](c3ccc(OC)cc3OC)C2)cc1 ZINC000036343240 569766370 /nfs/dbraw/zinc/76/63/70/569766370.db2.gz LTGJGYPRBKYBJN-HHHXNRCGSA-N 0 0 485.584 4.448 50 0 JIAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccccc2Cl)C1 ZINC000036343730 569766528 /nfs/dbraw/zinc/76/65/28/569766528.db2.gz SVIGNYUJYNOFTI-XXBNENTESA-N 0 0 453.970 4.293 50 0 JIAARN Cc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000036344268 569766846 /nfs/dbraw/zinc/76/68/46/569766846.db2.gz PHOJGARWIFASNV-MUUNZHRXSA-N 0 0 452.602 4.491 50 0 JIAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCc3ccccc3C2)c1 ZINC000036344338 569766963 /nfs/dbraw/zinc/76/69/63/569766963.db2.gz YLSMMDQWVZCSBI-AREMUKBSSA-N 0 0 455.558 4.440 50 0 JIAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2C)C1 ZINC000036344864 569767483 /nfs/dbraw/zinc/76/74/83/569767483.db2.gz XJCYDSUNUYRCBK-RDPSFJRHSA-N 0 0 451.542 4.087 50 0 JIAARN COc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c1 ZINC000036345633 569768084 /nfs/dbraw/zinc/76/80/84/569768084.db2.gz OCLKMHBSZWJSDT-LJAQVGFWSA-N 0 0 482.628 4.499 50 0 JIAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(OCC)ccc3n2C)cc1 ZINC000100814206 569770588 /nfs/dbraw/zinc/77/05/88/569770588.db2.gz CZBKVSHBZPWYBP-WCWDXBQESA-N 0 0 475.636 4.190 50 0 JIAARN CCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000100821077 569771088 /nfs/dbraw/zinc/77/10/88/569771088.db2.gz WHJYXUQSBXIHCN-IZHYLOQSSA-N 0 0 481.599 4.298 50 0 JIAARN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(F)ccc3n2C)cc1 ZINC000100821136 569771241 /nfs/dbraw/zinc/77/12/41/569771241.db2.gz DHAHZWQXTLYBOB-WJTDDFOZSA-N 0 0 477.627 4.423 50 0 JIAARN O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)N1CCN(Cc2ccncc2)CC1 ZINC000036357463 569771965 /nfs/dbraw/zinc/77/19/65/569771965.db2.gz RTGMJRBOFKUHDY-UHFFFAOYSA-N 0 0 489.959 4.232 50 0 JIAARN COc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)n(C)c21 ZINC000100846707 569772286 /nfs/dbraw/zinc/77/22/86/569772286.db2.gz LYMLTGIJAHXNQZ-OCOZRVBESA-N 0 0 489.663 4.292 50 0 JIAARN COc1ccc([C@H]2[C@H](C(=O)Nc3nnc(C(C)(C)C)s3)c3ccccc3C(=O)N2C)cc1 ZINC000036364852 569772720 /nfs/dbraw/zinc/77/27/20/569772720.db2.gz XGIJQDFSHIQSHB-MOPGFXCFSA-N 0 0 450.564 4.393 50 0 JIAARN COCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1cccc(Oc2ccccc2)c1 ZINC000100872852 569773156 /nfs/dbraw/zinc/77/31/56/569773156.db2.gz RVTVLUSQYFURIN-IZHYLOQSSA-N 0 0 482.583 4.286 50 0 JIAARN CCCCCOc1cccc(C(=O)/N=c2\sc3cc(S(C)(=O)=O)ccc3n2CCOC)c1 ZINC000100872821 569773204 /nfs/dbraw/zinc/77/32/04/569773204.db2.gz HREWPUHVNNRJDD-VHXPQNKSSA-N 0 0 476.620 4.063 50 0 JIAARN CCOC(=O)c1c(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)sc2c1CCCC2 ZINC000036369767 569773248 /nfs/dbraw/zinc/77/32/48/569773248.db2.gz YSEIVCZDDQBAKX-UHFFFAOYSA-N 0 0 462.015 4.218 50 0 JIAARN COc1ccc(NC(=O)N2CCN(c3nc4ccccc4n3Cc3ccccc3)CC2)c(OC)c1 ZINC000100888120 569774337 /nfs/dbraw/zinc/77/43/37/569774337.db2.gz YTIBFEOUJLHQQG-UHFFFAOYSA-N 0 0 471.561 4.456 50 0 JIAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000100893195 569774532 /nfs/dbraw/zinc/77/45/32/569774532.db2.gz ATYURKFUQFCKKA-RMTZWNOUSA-N 0 0 463.537 4.469 50 0 JIAARN CC[C@@H](c1nnc(SCC(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)n1Cc1ccccc1)N(C)C ZINC000100904700 569774935 /nfs/dbraw/zinc/77/49/35/569774935.db2.gz AZRBOYZYICVNMV-IERDGZPVSA-N 0 0 463.607 4.370 50 0 JIAARN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)Nc3cccc(OCCn4cncn4)c3)c12 ZINC000036397634 569775322 /nfs/dbraw/zinc/77/53/22/569775322.db2.gz GEXLQVLAZBWPIJ-UHFFFAOYSA-N 0 0 454.490 4.429 50 0 JIAARN COc1ccccc1N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000036441097 569775842 /nfs/dbraw/zinc/77/58/42/569775842.db2.gz INSFOWOJOSYSJF-DEOSSOPVSA-N 0 0 453.633 4.115 50 0 JIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)N[C@@]3(CCCC[C@H]3C)C1=O)CC2 ZINC000036447026 569776099 /nfs/dbraw/zinc/77/60/99/569776099.db2.gz XPRCKLGRCFQQNO-AKRGNFOKSA-N 0 0 463.578 4.110 50 0 JIAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCOC)N2[C@H]1c1ccc(C)cc1 ZINC000100934927 569776607 /nfs/dbraw/zinc/77/66/07/569776607.db2.gz CPNDYVQAQPNNFO-VWLOTQADSA-N 0 0 491.613 4.423 50 0 JIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccccc3)N2[C@H]1c1cccc(OC)c1 ZINC000100937679 569776723 /nfs/dbraw/zinc/77/67/23/569776723.db2.gz IVTSBCYCGYQTKX-QHCPKHFHSA-N 0 0 463.559 4.150 50 0 JIAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCOC)N2[C@H]1c1ccccc1 ZINC000100943490 569777045 /nfs/dbraw/zinc/77/70/45/569777045.db2.gz FKAIMUSPGITMNS-DEOSSOPVSA-N 0 0 477.586 4.115 50 0 JIAARN CCNC(=O)CC1=CSC2=NC(c3ccccc3)=C(C(=O)OCC)[C@@H](c3ccccc3OC)N12 ZINC000100946834 569777420 /nfs/dbraw/zinc/77/74/20/569777420.db2.gz QQZVTXJQPRYLOE-XMMPIXPASA-N 0 0 477.586 4.497 50 0 JIAARN CCC1=C(C(=O)OC)[C@H](c2ccc(Cl)cc2)N2C(CC(=O)NC[C@@H]3CCCO3)=CSC2=N1 ZINC000100948713 569777563 /nfs/dbraw/zinc/77/75/63/569777563.db2.gz GJSXDZFLBZVHJM-UWJYYQICSA-N 0 0 475.998 4.163 50 0 JIAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1cc(C)ccc1C ZINC000100949524 569777767 /nfs/dbraw/zinc/77/77/67/569777767.db2.gz MGJZZQCNDUSWJE-AUSIDOKSSA-N 0 0 469.607 4.127 50 0 JIAARN COc1ccc(CN2CCN(c3nc(-c4ccc(OC)c(OC)c4)cc(C(F)F)n3)CC2)cc1 ZINC000036614086 569778200 /nfs/dbraw/zinc/77/82/00/569778200.db2.gz JSYKZELKAGHHAX-UHFFFAOYSA-N 0 0 470.520 4.429 50 0 JIAARN COc1cccc(-c2cc3nc(SCC(=O)c4ccc(Cl)cc4)n(N)c(=O)c3s2)c1 ZINC000036646166 569779590 /nfs/dbraw/zinc/77/95/90/569779590.db2.gz YTYICZCCUACGRM-UHFFFAOYSA-N 0 0 457.964 4.476 50 0 JIAARN Cn1ccnc1[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1F ZINC000036692710 569780065 /nfs/dbraw/zinc/78/00/65/569780065.db2.gz LOULJYMXJZDHIG-HXUWFJFHSA-N 0 0 461.463 4.095 50 0 JIAARN 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