smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(F)cc1 ZINC000001105745 551609950 /nfs/dbraw/zinc/60/99/50/551609950.db2.gz RNBGPCUPYXXWHO-OFNKIYASSA-N 0 1 514.575 3.368 50 30 KGEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(F)cc1 ZINC000001105746 551609921 /nfs/dbraw/zinc/60/99/21/551609921.db2.gz RNBGPCUPYXXWHO-NFBKMPQASA-N 0 1 514.575 3.368 50 30 KGEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(F)cc1 ZINC000001105747 551609852 /nfs/dbraw/zinc/60/98/52/551609852.db2.gz RNBGPCUPYXXWHO-REWPJTCUSA-N 0 1 514.575 3.368 50 30 KGEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(F)cc1 ZINC000001105748 551610093 /nfs/dbraw/zinc/61/00/93/551610093.db2.gz RNBGPCUPYXXWHO-NZQKXSOJSA-N 0 1 514.575 3.368 50 30 KGEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(F)cc1 ZINC000001105751 551610131 /nfs/dbraw/zinc/61/01/31/551610131.db2.gz MMIMQCFDVLMFGS-DEOSSOPVSA-N 0 1 538.601 3.475 50 30 KGEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(F)cc1 ZINC000001105752 551610152 /nfs/dbraw/zinc/61/01/52/551610152.db2.gz MMIMQCFDVLMFGS-XMMPIXPASA-N 0 1 538.601 3.475 50 30 KGEAMN O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000001110176 551611088 /nfs/dbraw/zinc/61/10/88/551611088.db2.gz VEOJJKBKFOPHCB-QFIPXVFZSA-N 0 1 529.387 3.478 50 30 KGEAMN O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000001110177 551611091 /nfs/dbraw/zinc/61/10/91/551611091.db2.gz VEOJJKBKFOPHCB-JOCHJYFZSA-N 0 1 529.387 3.478 50 30 KGEAMN COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1OC ZINC000001152994 551619378 /nfs/dbraw/zinc/61/93/78/551619378.db2.gz YXWMITSQJXVPHY-NRFANRHFSA-N 0 1 531.403 3.377 50 30 KGEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1OC ZINC000001152995 551619369 /nfs/dbraw/zinc/61/93/69/551619369.db2.gz YXWMITSQJXVPHY-OAQYLSRUSA-N 0 1 531.403 3.377 50 30 KGEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000001261538 551633788 /nfs/dbraw/zinc/63/37/88/551633788.db2.gz JNJRGJYENKYROK-QFIPXVFZSA-N 0 1 531.403 3.464 50 30 KGEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000001261539 551633761 /nfs/dbraw/zinc/63/37/61/551633761.db2.gz JNJRGJYENKYROK-JOCHJYFZSA-N 0 1 531.403 3.464 50 30 KGEAMN COc1cc(C=NNc2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)cc(OC)c1OC ZINC000001283150 551636757 /nfs/dbraw/zinc/63/67/57/551636757.db2.gz HXJBTZAMKYAEML-LUOAPIJWSA-N 0 1 547.399 3.261 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)c1C ZINC000001451588 552077976 /nfs/dbraw/zinc/07/79/76/552077976.db2.gz WVAOMKMXTFLHHB-QFIPXVFZSA-N 0 1 560.445 3.481 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)c1C ZINC000001451589 552078005 /nfs/dbraw/zinc/07/80/05/552078005.db2.gz WVAOMKMXTFLHHB-JOCHJYFZSA-N 0 1 560.445 3.481 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Br)c2)c1C ZINC000001451602 552077937 /nfs/dbraw/zinc/07/79/37/552077937.db2.gz OUSIIKLMNGZLHG-NRFANRHFSA-N 0 1 546.418 3.091 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c1C ZINC000001451603 552077902 /nfs/dbraw/zinc/07/79/02/552077902.db2.gz OUSIIKLMNGZLHG-OAQYLSRUSA-N 0 1 546.418 3.091 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Br)cc2)c1C ZINC000001451604 552077941 /nfs/dbraw/zinc/07/79/41/552077941.db2.gz FZJRPEZAWBPVFE-NRFANRHFSA-N 0 1 546.418 3.091 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)c1C ZINC000001451605 552077957 /nfs/dbraw/zinc/07/79/57/552077957.db2.gz FZJRPEZAWBPVFE-OAQYLSRUSA-N 0 1 546.418 3.091 50 30 KGEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000001477151 551681250 /nfs/dbraw/zinc/68/12/50/551681250.db2.gz UMDDNOAHMBYEDF-VWLOTQADSA-N 0 1 510.587 3.321 50 30 KGEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000001477152 551681177 /nfs/dbraw/zinc/68/11/77/551681177.db2.gz UMDDNOAHMBYEDF-RUZDIDTESA-N 0 1 510.587 3.321 50 30 KGEAMN CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000002177514 551783761 /nfs/dbraw/zinc/78/37/61/551783761.db2.gz WWQVQEAUCKSSRM-XNTDXEJSSA-N 0 1 527.411 3.093 50 30 KGEAMN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000002709395 552160700 /nfs/dbraw/zinc/16/07/00/552160700.db2.gz SVXOJHPRARGMHU-UHFFFAOYSA-N 0 1 527.628 3.201 50 30 KGEAMN C=CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)nnc1-c1cccnc1 ZINC000003618030 552392654 /nfs/dbraw/zinc/39/26/54/552392654.db2.gz NRHOJFNFEGIYOX-UHFFFAOYSA-N 0 1 536.643 3.465 50 30 KGEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000004195830 552447950 /nfs/dbraw/zinc/44/79/50/552447950.db2.gz HSVXJVVVAXYIKU-WPWMEQJKSA-N 0 1 548.629 3.401 50 30 KGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(F)c2)c1C ZINC000004391665 552458404 /nfs/dbraw/zinc/45/84/04/552458404.db2.gz KXFAFUNPGLMTAR-QHCPKHFHSA-N 0 1 513.566 3.248 50 30 KGEAMN Cn1c2nc(NN=Cc3cc(Br)ccc3O)n(Cc3cccc(Br)c3)c2c(=O)[nH]c1=O ZINC000005295044 552496548 /nfs/dbraw/zinc/49/65/48/552496548.db2.gz KJPYGTIXORLIDI-AQHIEDMUSA-N 0 1 548.195 3.148 50 30 KGEAMN COc1ccc(Br)cc1C=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 ZINC000005356411 552499393 /nfs/dbraw/zinc/49/93/93/552499393.db2.gz KDEAJDUHMCZYQP-BRJLIKDPSA-N 0 1 511.380 3.008 50 30 KGEAMN Cn1c2nc(NN=Cc3cc(Br)ccc3O)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000005356789 552499267 /nfs/dbraw/zinc/49/92/67/552499267.db2.gz MCPHCGOKUWPQGS-VROXFSQNSA-N 0 1 517.771 3.050 50 30 KGEAMN COc1cc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)cc(Br)c1O ZINC000005358026 1059669489 /nfs/dbraw/zinc/66/94/89/1059669489.db2.gz SSUKCSANOVXGAU-UHFFFAOYSA-N 0 1 547.797 3.058 50 30 KGEAMN COc1ccc(Br)cc1C=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl ZINC000005358037 552499656 /nfs/dbraw/zinc/49/96/56/552499656.db2.gz VJUQLIZTFKFBRA-OPEKNORGSA-N 0 1 531.798 3.353 50 30 KGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(Br)c1 ZINC000006023850 552520641 /nfs/dbraw/zinc/52/06/41/552520641.db2.gz NQQKWUYOJJBUDF-HXUWFJFHSA-N 0 1 537.432 3.314 50 30 KGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(Br)c1 ZINC000006023851 552520617 /nfs/dbraw/zinc/52/06/17/552520617.db2.gz NQQKWUYOJJBUDF-FQEVSTJZSA-N 0 1 537.432 3.314 50 30 KGEAMN COc1ccc(C(=O)C=CNc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)c(OC)c1 ZINC000006076834 552527656 /nfs/dbraw/zinc/52/76/56/552527656.db2.gz IDUOIXNYZAYMLY-VAWYXSNFSA-N 0 1 500.533 3.120 50 30 KGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000006079769 552529854 /nfs/dbraw/zinc/52/98/54/552529854.db2.gz RWSPWPMIAGKSEU-FQEVSTJZSA-N 0 1 537.432 3.314 50 30 KGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(Br)cc1 ZINC000006079771 552529847 /nfs/dbraw/zinc/52/98/47/552529847.db2.gz RWSPWPMIAGKSEU-HXUWFJFHSA-N 0 1 537.432 3.314 50 30 KGEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(=O)C(=O)N2CCOC)ccc1O ZINC000006079952 552530089 /nfs/dbraw/zinc/53/00/89/552530089.db2.gz JNLBHJKQTHJBDF-DEOSSOPVSA-N 0 1 544.626 3.190 50 30 KGEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(=O)C(=O)N2CCOC)ccc1O ZINC000006079954 552530052 /nfs/dbraw/zinc/53/00/52/552530052.db2.gz JNLBHJKQTHJBDF-XMMPIXPASA-N 0 1 544.626 3.190 50 30 KGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000006143945 552545410 /nfs/dbraw/zinc/54/54/10/552545410.db2.gz CGIWZAQZMULSEX-OAQYLSRUSA-N 0 1 501.377 3.368 50 30 KGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000006143946 552545385 /nfs/dbraw/zinc/54/53/85/552545385.db2.gz CGIWZAQZMULSEX-NRFANRHFSA-N 0 1 501.377 3.368 50 30 KGEAMN C=CCn1c(CSc2nc(N)cc(N)n2)nnc1SCC(=O)Nc1sc(C)c(C)c1C(=O)OCC ZINC000006147789 552549200 /nfs/dbraw/zinc/54/92/00/552549200.db2.gz WXGWRFDTVHDGSZ-UHFFFAOYSA-N 0 1 534.693 3.297 50 30 KGEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000006173481 552558964 /nfs/dbraw/zinc/55/89/64/552558964.db2.gz PLWAMMJMZRXSNN-QHCPKHFHSA-N 0 1 592.512 3.000 50 30 KGEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000006173482 552558985 /nfs/dbraw/zinc/55/89/85/552558985.db2.gz PLWAMMJMZRXSNN-HSZRJFAPSA-N 0 1 592.512 3.000 50 30 KGEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008383691 552987160 /nfs/dbraw/zinc/98/71/60/552987160.db2.gz BGHZBFANBLRGNE-RUZDIDTESA-N 0 1 508.571 3.157 50 30 KGEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008383695 552987150 /nfs/dbraw/zinc/98/71/50/552987150.db2.gz BGHZBFANBLRGNE-VWLOTQADSA-N 0 1 508.571 3.157 50 30 KGEAMN Cc1ccc(OS(=O)(=O)c2ccc(I)cc2)c(/C=N/N=C2\NC(=O)C(C)S2)c1 ZINC000008387241 552993641 /nfs/dbraw/zinc/99/36/41/552993641.db2.gz AYZQBMKWVVUACR-QDBSGRMGSA-N 0 1 529.381 3.309 50 30 KGEAMN Cc1ccc(OS(=O)(=O)c2ccc(I)cc2)c(/C=N/N=C2\NC(=O)C(C)S2)c1 ZINC000008387243 552993669 /nfs/dbraw/zinc/99/36/69/552993669.db2.gz AYZQBMKWVVUACR-HMASQMOLSA-N 0 1 529.381 3.309 50 30 KGEAMN Cc1c(C#N)c2nc3ccccc3n2c(O)c1C=C1C(=O)NN(c2ccc(I)cc2)C1=O ZINC000008435022 553029606 /nfs/dbraw/zinc/02/96/06/553029606.db2.gz IQHOQFLOZITFFA-YBEGLDIGSA-N 0 1 535.301 3.439 50 30 KGEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc(OC)c1OC ZINC000008441420 553040721 /nfs/dbraw/zinc/04/07/21/553040721.db2.gz QRPPQTRHDSWEFR-GAJHUEQPSA-N 0 1 511.527 3.241 50 30 KGEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc(OC)c1OC ZINC000008441423 553040733 /nfs/dbraw/zinc/04/07/33/553040733.db2.gz QRPPQTRHDSWEFR-SBUREZEXSA-N 0 1 511.527 3.241 50 30 KGEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)cc(OC)c1OC ZINC000008441429 553040644 /nfs/dbraw/zinc/04/06/44/553040644.db2.gz QRPPQTRHDSWEFR-UZUQRXQVSA-N 0 1 511.527 3.241 50 30 KGEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)cc(OC)c1OC ZINC000008441435 553040649 /nfs/dbraw/zinc/04/06/49/553040649.db2.gz QRPPQTRHDSWEFR-HXOBKFHXSA-N 0 1 511.527 3.241 50 30 KGEAMN CC(C)(C)CNC(=S)N/N=C/c1cc(I)cc(I)c1O ZINC000008626571 553104193 /nfs/dbraw/zinc/10/41/93/553104193.db2.gz WVODUSGSRQBLSE-UBKPWBPPSA-N 0 1 517.174 3.446 50 30 KGEAMN N=C(CCN(Cc1ccco1)S(=O)(=O)c1cccc2nsnc21)NOC(=O)Nc1ccccc1 ZINC000008648560 553107023 /nfs/dbraw/zinc/10/70/23/553107023.db2.gz WFXTYIWJGPFESD-UHFFFAOYSA-N 0 1 500.562 3.386 50 30 KGEAMN N#CCCN(C(=O)COC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 ZINC000008686624 553115610 /nfs/dbraw/zinc/11/56/10/553115610.db2.gz BPVPAOLSJAXSPV-UHFFFAOYSA-N 0 1 508.512 3.499 50 30 aggregator KGEAMN COc1cc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc(OC)c(OC)c3)cc2)nc(OC)n1 ZINC000008690294 553117113 /nfs/dbraw/zinc/11/71/13/553117113.db2.gz RYMWLGRFYPITEC-QXMHVHEDSA-N 0 1 500.533 3.120 50 30 KGEAMN COc1ccc2c(CCNC(=Nc3nc(C)cc(C)n3)NC(O)=CSc3nnnn3-c3ccccc3)c[nH]c2c1 ZINC000008758618 553137007 /nfs/dbraw/zinc/13/70/07/553137007.db2.gz MUQPWIOLESNFEH-UHFFFAOYSA-N 0 1 556.656 3.478 50 30 KGEAMN CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccc(OC)cc2)CC1 ZINC000008766631 553138872 /nfs/dbraw/zinc/13/88/72/553138872.db2.gz GXDAUPOYOXZUKP-JOCHJYFZSA-N 0 1 501.587 3.384 50 30 KGEAMN CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccc(OC)cc2)CC1 ZINC000008766634 553139136 /nfs/dbraw/zinc/13/91/36/553139136.db2.gz GXDAUPOYOXZUKP-QFIPXVFZSA-N 0 1 501.587 3.384 50 30 KGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008779135 553144019 /nfs/dbraw/zinc/14/40/19/553144019.db2.gz GMQKIQDBQRHRQO-XMMPIXPASA-N 0 1 508.571 3.171 50 30 KGEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008779136 553144028 /nfs/dbraw/zinc/14/40/28/553144028.db2.gz GMQKIQDBQRHRQO-DEOSSOPVSA-N 0 1 508.571 3.171 50 30 KGEAMN Cn1c2nc(NN=Cc3cc(Br)ccc3O)n(Cc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000008816616 553152079 /nfs/dbraw/zinc/15/20/79/553152079.db2.gz GBJVJOYQWBAPFV-NUGSKGIGSA-N 0 1 503.744 3.039 50 30 KGEAMN COc1cc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000008816789 553152127 /nfs/dbraw/zinc/15/21/27/553152127.db2.gz GNULGJKOWDJUTF-DEOSSOPVSA-N 0 1 520.586 3.346 50 30 KGEAMN COc1cc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000008816790 553152111 /nfs/dbraw/zinc/15/21/11/553152111.db2.gz GNULGJKOWDJUTF-XMMPIXPASA-N 0 1 520.586 3.346 50 30 KGEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000008826828 553156393 /nfs/dbraw/zinc/15/63/93/553156393.db2.gz ZDRKUMZIVVSJQA-RUZDIDTESA-N 0 1 510.587 3.402 50 30 KGEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000008826829 553156331 /nfs/dbraw/zinc/15/63/31/553156331.db2.gz ZDRKUMZIVVSJQA-VWLOTQADSA-N 0 1 510.587 3.402 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)c1C ZINC000008827250 553156777 /nfs/dbraw/zinc/15/67/77/553156777.db2.gz VFJUDFBBIWFYFM-JOCHJYFZSA-N 0 1 515.994 3.372 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Cl)c2)c1C ZINC000008827251 553156696 /nfs/dbraw/zinc/15/66/96/553156696.db2.gz VFJUDFBBIWFYFM-QFIPXVFZSA-N 0 1 515.994 3.372 50 30 KGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)c1C ZINC000008827325 553156730 /nfs/dbraw/zinc/15/67/30/553156730.db2.gz KWICKKWVUNXJER-XMMPIXPASA-N 0 1 509.603 3.417 50 30 KGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)c1C ZINC000008827326 553156645 /nfs/dbraw/zinc/15/66/45/553156645.db2.gz KWICKKWVUNXJER-DEOSSOPVSA-N 0 1 509.603 3.417 50 30 KGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c1C ZINC000008833968 553160534 /nfs/dbraw/zinc/16/05/34/553160534.db2.gz RUZQZNQYVXJXOP-JOCHJYFZSA-N 0 1 515.994 3.372 50 30 KGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)c1C ZINC000008833969 553160550 /nfs/dbraw/zinc/16/05/50/553160550.db2.gz RUZQZNQYVXJXOP-QFIPXVFZSA-N 0 1 515.994 3.372 50 30 KGEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCN2CCCCC2)cc1 ZINC000008836810 553163500 /nfs/dbraw/zinc/16/35/00/553163500.db2.gz QCAWVMVPYWZRGL-SBXHHDGASA-N 0 1 511.644 3.153 50 30 KGEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCN2CCCCC2)cc1 ZINC000008836811 553163424 /nfs/dbraw/zinc/16/34/24/553163424.db2.gz QCAWVMVPYWZRGL-NXLSWJSLSA-N 0 1 511.644 3.153 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c1C ZINC000008837516 553164003 /nfs/dbraw/zinc/16/40/03/553164003.db2.gz ANURTICUQCQNEB-JOCHJYFZSA-N 0 1 515.994 3.372 50 30 KGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000008838145 553164931 /nfs/dbraw/zinc/16/49/31/553164931.db2.gz ZSGVKLCFAMGGFL-RUZDIDTESA-N 0 1 510.587 3.321 50 30 KGEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008858476 553169330 /nfs/dbraw/zinc/16/93/30/553169330.db2.gz WZTUMGCKAMRGOT-RUZDIDTESA-N 0 1 510.587 3.403 50 30 KGEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008858477 553169301 /nfs/dbraw/zinc/16/93/01/553169301.db2.gz WZTUMGCKAMRGOT-VWLOTQADSA-N 0 1 510.587 3.403 50 30 KGEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000008859341 553169297 /nfs/dbraw/zinc/16/92/97/553169297.db2.gz MDJIZYANRYBKKH-RUZDIDTESA-N 0 1 510.587 3.403 50 30 KGEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000008859342 553169336 /nfs/dbraw/zinc/16/93/36/553169336.db2.gz MDJIZYANRYBKKH-VWLOTQADSA-N 0 1 510.587 3.403 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008859404 553169323 /nfs/dbraw/zinc/16/93/23/553169323.db2.gz BBDYKWSASLBTJY-VWLOTQADSA-N 0 1 508.571 3.179 50 30 KGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000008859413 553169614 /nfs/dbraw/zinc/16/96/14/553169614.db2.gz LITXZRQEWUWXBW-OAQYLSRUSA-N 0 1 501.923 3.167 50 30 KGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000008859414 553169604 /nfs/dbraw/zinc/16/96/04/553169604.db2.gz LITXZRQEWUWXBW-NRFANRHFSA-N 0 1 501.923 3.167 50 30 KGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1Cl ZINC000008859422 553169610 /nfs/dbraw/zinc/16/96/10/553169610.db2.gz CPSNBAIOSPQWRD-QFIPXVFZSA-N 0 1 516.978 3.276 50 30 KGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000008859433 553169634 /nfs/dbraw/zinc/16/96/34/553169634.db2.gz XULIVTVFTZHHQQ-OAQYLSRUSA-N 0 1 501.923 3.167 50 30 KGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000008859434 553169674 /nfs/dbraw/zinc/16/96/74/553169674.db2.gz XULIVTVFTZHHQQ-NRFANRHFSA-N 0 1 501.923 3.167 50 30 KGEAMN Brc1ccc(-c2ccc(CN=Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1 ZINC000008872025 553171968 /nfs/dbraw/zinc/17/19/68/553171968.db2.gz OECPQLAFYIBSDA-BUVRLJJBSA-N 0 1 514.384 3.013 50 30 KGEAMN Oc1c(Br)cc(Br)cc1C=NN=c1nc(N2CCCCC2)[nH]c(N2CCOCC2)n1 ZINC000008872383 553173333 /nfs/dbraw/zinc/17/33/33/553173333.db2.gz MYCGGPJWWUJILY-WSDLNYQXSA-N 0 1 541.248 3.375 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008892617 553176712 /nfs/dbraw/zinc/17/67/12/553176712.db2.gz PJDMOQIWSVIHCL-NPJIAGGLSA-N 0 1 508.571 3.023 50 30 KGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000008892916 553177013 /nfs/dbraw/zinc/17/70/13/553177013.db2.gz PPNKDDNXQJVMLU-RUZDIDTESA-N 0 1 510.587 3.403 50 30 KGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000008892918 553176998 /nfs/dbraw/zinc/17/69/98/553176998.db2.gz PPNKDDNXQJVMLU-VWLOTQADSA-N 0 1 510.587 3.403 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)c1C ZINC000008893014 553176991 /nfs/dbraw/zinc/17/69/91/553176991.db2.gz JGTLRTWBMQHBAU-DEOSSOPVSA-N 0 1 509.603 3.452 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)c1C ZINC000008893028 553176972 /nfs/dbraw/zinc/17/69/72/553176972.db2.gz JGTLRTWBMQHBAU-XMMPIXPASA-N 0 1 509.603 3.452 50 30 KGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008897088 553179393 /nfs/dbraw/zinc/17/93/93/553179393.db2.gz JOXHDQZDWYVSRZ-RUZDIDTESA-N 0 1 508.571 3.157 50 30 KGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008897095 553179329 /nfs/dbraw/zinc/17/93/29/553179329.db2.gz JOXHDQZDWYVSRZ-VWLOTQADSA-N 0 1 508.571 3.157 50 30 KGEAMN COc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008897280 553179631 /nfs/dbraw/zinc/17/96/31/553179631.db2.gz KMBLUFPFPAXUQX-RUZDIDTESA-N 0 1 502.571 3.100 50 30 KGEAMN COc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008897283 553179714 /nfs/dbraw/zinc/17/97/14/553179714.db2.gz KMBLUFPFPAXUQX-VWLOTQADSA-N 0 1 502.571 3.100 50 30 KGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1Cl ZINC000008901386 553182101 /nfs/dbraw/zinc/18/21/01/553182101.db2.gz ULPVSCYBQKRBIH-HOGKFDNTSA-N 0 1 516.978 3.120 50 30 KGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000008904557 553183701 /nfs/dbraw/zinc/18/37/01/553183701.db2.gz ZSGVKLCFAMGGFL-VWLOTQADSA-N 0 1 510.587 3.321 50 30 KGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)c1C ZINC000008905480 553183714 /nfs/dbraw/zinc/18/37/14/553183714.db2.gz WKNPADFRNKSFHQ-QHCPKHFHSA-N 0 1 513.566 3.248 50 30 KGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c1C ZINC000008905484 553184094 /nfs/dbraw/zinc/18/40/94/553184094.db2.gz WKNPADFRNKSFHQ-HSZRJFAPSA-N 0 1 513.566 3.248 50 30 KGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(F)c2)c1C ZINC000008934755 553193231 /nfs/dbraw/zinc/19/32/31/553193231.db2.gz KXFAFUNPGLMTAR-HSZRJFAPSA-N 0 1 513.566 3.248 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000008996393 553197185 /nfs/dbraw/zinc/19/71/85/553197185.db2.gz NHVLFIRXDYFYDF-SBXHHDGASA-N 0 1 508.571 3.023 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000008996394 553197208 /nfs/dbraw/zinc/19/72/08/553197208.db2.gz NHVLFIRXDYFYDF-NXLSWJSLSA-N 0 1 508.571 3.023 50 30 KGEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009015254 553200335 /nfs/dbraw/zinc/20/03/35/553200335.db2.gz MPWYPZUPNLOZRK-DEOSSOPVSA-N 0 1 526.561 3.310 50 30 KGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009015255 553200407 /nfs/dbraw/zinc/20/04/07/553200407.db2.gz MPWYPZUPNLOZRK-XMMPIXPASA-N 0 1 526.561 3.310 50 30 KGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)c1C ZINC000009041492 553202284 /nfs/dbraw/zinc/20/22/84/553202284.db2.gz YZTXEXVWWOKDGO-XMMPIXPASA-N 0 1 525.602 3.117 50 30 KGEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000009041772 553202512 /nfs/dbraw/zinc/20/25/12/553202512.db2.gz SAYHCMSPMVOTMC-ZHHPLPSFSA-N 0 1 516.978 3.120 50 30 KGEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000009041776 553202412 /nfs/dbraw/zinc/20/24/12/553202412.db2.gz SAYHCMSPMVOTMC-AYWGPLOBSA-N 0 1 516.978 3.120 50 30 KGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000009045884 553203566 /nfs/dbraw/zinc/20/35/66/553203566.db2.gz ARVGDOUIXHFKSB-JBCNATCCSA-N 0 1 504.967 3.358 50 30 KGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000009045887 553203549 /nfs/dbraw/zinc/20/35/49/553203549.db2.gz ARVGDOUIXHFKSB-MRJHHRETSA-N 0 1 504.967 3.358 50 30 KGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000009065277 553205948 /nfs/dbraw/zinc/20/59/48/553205948.db2.gz ZTSHVVJVVIJPCA-ZHHPLPSFSA-N 0 1 516.978 3.120 50 30 KGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000009065280 553205906 /nfs/dbraw/zinc/20/59/06/553205906.db2.gz ZTSHVVJVVIJPCA-AYWGPLOBSA-N 0 1 516.978 3.120 50 30 KGEAMN CCOc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009070664 553207104 /nfs/dbraw/zinc/20/71/04/553207104.db2.gz QWVNDELAXBMOEZ-CZNAVJSXSA-N 0 1 516.598 3.333 50 30 KGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009088001 553208781 /nfs/dbraw/zinc/20/87/81/553208781.db2.gz XORVXNJBLJJTAX-JOCHJYFZSA-N 0 1 500.617 3.459 50 30 KGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009088002 553208719 /nfs/dbraw/zinc/20/87/19/553208719.db2.gz XORVXNJBLJJTAX-QFIPXVFZSA-N 0 1 500.617 3.459 50 30 KGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(OC)c2)c1C ZINC000009122180 553212060 /nfs/dbraw/zinc/21/20/60/553212060.db2.gz WLSSYNPWKJJAJT-DEOSSOPVSA-N 0 1 525.602 3.117 50 30 KGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(OC)c2)c1C ZINC000009122181 553212079 /nfs/dbraw/zinc/21/20/79/553212079.db2.gz WLSSYNPWKJJAJT-XMMPIXPASA-N 0 1 525.602 3.117 50 30 KGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)cc2)c1C ZINC000009135508 553213426 /nfs/dbraw/zinc/21/34/26/553213426.db2.gz YZTXEXVWWOKDGO-DEOSSOPVSA-N 0 1 525.602 3.117 50 30 KGEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009184898 553216999 /nfs/dbraw/zinc/21/69/99/553216999.db2.gz CRZFTGPHJPQLTN-NPJIAGGLSA-N 0 1 510.587 3.247 50 30 KGEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009184899 553217036 /nfs/dbraw/zinc/21/70/36/553217036.db2.gz CRZFTGPHJPQLTN-IUKMQXEJSA-N 0 1 510.587 3.247 50 30 KGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000009210873 553220929 /nfs/dbraw/zinc/22/09/29/553220929.db2.gz OUKSKTVJYNWBQS-HSZRJFAPSA-N 0 1 514.600 3.182 50 30 KGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000009210874 553220886 /nfs/dbraw/zinc/22/08/86/553220886.db2.gz OUKSKTVJYNWBQS-QHCPKHFHSA-N 0 1 514.600 3.182 50 30 KGEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009233722 553224566 /nfs/dbraw/zinc/22/45/66/553224566.db2.gz DWUNBRCSXKQJMA-QHCPKHFHSA-N 0 1 515.607 3.140 50 30 KGEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009233725 553224543 /nfs/dbraw/zinc/22/45/43/553224543.db2.gz DWUNBRCSXKQJMA-HSZRJFAPSA-N 0 1 515.607 3.140 50 30 KGEAMN CCOc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009241180 553226356 /nfs/dbraw/zinc/22/63/56/553226356.db2.gz QWVNDELAXBMOEZ-CJJGVWJISA-N 0 1 516.598 3.333 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)c1C ZINC000009271138 553230491 /nfs/dbraw/zinc/23/04/91/553230491.db2.gz XFOVVFLBPOAFMX-IBGZPJMESA-N 0 1 504.381 3.321 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)c1C ZINC000009271138 553230487 /nfs/dbraw/zinc/23/04/87/553230487.db2.gz XFOVVFLBPOAFMX-IBGZPJMESA-N 0 1 504.381 3.321 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)c1C ZINC000009271140 553230562 /nfs/dbraw/zinc/23/05/62/553230562.db2.gz XFOVVFLBPOAFMX-LJQANCHMSA-N 0 1 504.381 3.321 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)c1C ZINC000009271140 553230559 /nfs/dbraw/zinc/23/05/59/553230559.db2.gz XFOVVFLBPOAFMX-LJQANCHMSA-N 0 1 504.381 3.321 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)c(OC)c2)c1C ZINC000009271476 553231013 /nfs/dbraw/zinc/23/10/13/553231013.db2.gz CEKSCKVJBJJZQL-QHCPKHFHSA-N 0 1 522.558 3.300 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)c(OC)c2)c1C ZINC000009271477 553231080 /nfs/dbraw/zinc/23/10/80/553231080.db2.gz CEKSCKVJBJJZQL-HSZRJFAPSA-N 0 1 522.558 3.300 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)c1C ZINC000009271559 553231088 /nfs/dbraw/zinc/23/10/88/553231088.db2.gz VITBVRCLYJATSX-IBGZPJMESA-N 0 1 504.381 3.321 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)c1C ZINC000009271559 553231086 /nfs/dbraw/zinc/23/10/86/553231086.db2.gz VITBVRCLYJATSX-IBGZPJMESA-N 0 1 504.381 3.321 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Br)cc2)c1C ZINC000009271560 553231052 /nfs/dbraw/zinc/23/10/52/553231052.db2.gz VITBVRCLYJATSX-LJQANCHMSA-N 0 1 504.381 3.321 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Br)cc2)c1C ZINC000009271560 553231051 /nfs/dbraw/zinc/23/10/51/553231051.db2.gz VITBVRCLYJATSX-LJQANCHMSA-N 0 1 504.381 3.321 50 30 KGEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cc(OC)c(OC)c(OC)c3)oc21 ZINC000009302100 553236104 /nfs/dbraw/zinc/23/61/04/553236104.db2.gz KJLYJQAYQGKWOF-MOBKVPTQSA-N 0 1 510.543 3.451 50 30 KGEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009311956 553239939 /nfs/dbraw/zinc/23/99/39/553239939.db2.gz VYKPPBYHJMJOMU-SIBVEZHUSA-N 0 1 505.615 3.377 50 30 KGEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009311957 553239864 /nfs/dbraw/zinc/23/98/64/553239864.db2.gz VYKPPBYHJMJOMU-NIYFSFCBSA-N 0 1 505.615 3.377 50 30 KGEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009311958 553239854 /nfs/dbraw/zinc/23/98/54/553239854.db2.gz VYKPPBYHJMJOMU-AFMDSPMNSA-N 0 1 505.615 3.377 50 30 KGEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009312287 553240343 /nfs/dbraw/zinc/24/03/43/553240343.db2.gz ZGMXJAZKDVKDDR-CJJGVWJISA-N 0 1 520.582 3.167 50 30 KGEAMN COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000009312865 553240720 /nfs/dbraw/zinc/24/07/20/553240720.db2.gz LTZGTGVUIVAGLM-VWLOTQADSA-N 0 1 510.587 3.407 50 30 KGEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000009312866 553240718 /nfs/dbraw/zinc/24/07/18/553240718.db2.gz LTZGTGVUIVAGLM-RUZDIDTESA-N 0 1 510.587 3.407 50 30 KGEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000009312907 553240708 /nfs/dbraw/zinc/24/07/08/553240708.db2.gz IFABLQCFUDOIQD-NPJIAGGLSA-N 0 1 510.587 3.252 50 30 KGEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000009312908 553240702 /nfs/dbraw/zinc/24/07/02/553240702.db2.gz IFABLQCFUDOIQD-IUKMQXEJSA-N 0 1 510.587 3.252 50 30 KGEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009312956 553240733 /nfs/dbraw/zinc/24/07/33/553240733.db2.gz VYKPPBYHJMJOMU-BCHFMIIMSA-N 0 1 505.615 3.377 50 30 KGEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009313072 553240952 /nfs/dbraw/zinc/24/09/52/553240952.db2.gz ZGMXJAZKDVKDDR-CZNAVJSXSA-N 0 1 520.582 3.167 50 30 KGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000009328991 553242257 /nfs/dbraw/zinc/24/22/57/553242257.db2.gz HXBXCHPMSULSGE-JOCHJYFZSA-N 0 1 502.564 3.225 50 30 KGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1cccc(OC)c1 ZINC000009329141 553242243 /nfs/dbraw/zinc/24/22/43/553242243.db2.gz YPGCNJDJOJOVQN-XMMPIXPASA-N 0 1 528.627 3.485 50 30 KGEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000009334163 553243153 /nfs/dbraw/zinc/24/31/53/553243153.db2.gz KDKZXHULHGUMRV-JBCNATCCSA-N 0 1 501.377 3.212 50 30 KGEAMN COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000009334164 553243148 /nfs/dbraw/zinc/24/31/48/553243148.db2.gz KDKZXHULHGUMRV-MRJHHRETSA-N 0 1 501.377 3.212 50 30 KGEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009334379 553243116 /nfs/dbraw/zinc/24/31/16/553243116.db2.gz PVFNOVVCNIYXPN-YDJIHCHBSA-N 0 1 516.348 3.111 50 30 KGEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3cc(OC)c(OC)c(OC)c3)oc21 ZINC000009339556 553243492 /nfs/dbraw/zinc/24/34/92/553243492.db2.gz KJLYJQAYQGKWOF-HOGKFDNTSA-N 0 1 510.543 3.451 50 30 KGEAMN CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(O)cc2)cc1 ZINC000009349742 553244958 /nfs/dbraw/zinc/24/49/58/553244958.db2.gz CZZRGUNEEMWUCI-QFIPXVFZSA-N 0 1 502.589 3.038 50 30 KGEAMN CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009349749 553244920 /nfs/dbraw/zinc/24/49/20/553244920.db2.gz CZZRGUNEEMWUCI-JOCHJYFZSA-N 0 1 502.589 3.038 50 30 KGEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009353498 553245655 /nfs/dbraw/zinc/24/56/55/553245655.db2.gz PVFNOVVCNIYXPN-NHFXJNLRSA-N 0 1 516.348 3.111 50 30 KGEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009354192 553245772 /nfs/dbraw/zinc/24/57/72/553245772.db2.gz JVTKDUMDWUJELT-CJJGVWJISA-N 0 1 522.598 3.391 50 30 KGEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009354195 553245741 /nfs/dbraw/zinc/24/57/41/553245741.db2.gz JVTKDUMDWUJELT-CZNAVJSXSA-N 0 1 522.598 3.391 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009357067 553246761 /nfs/dbraw/zinc/24/67/61/553246761.db2.gz GOIXTTBREZRLLD-NPJIAGGLSA-N 0 1 508.571 3.110 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000009357171 553246757 /nfs/dbraw/zinc/24/67/57/553246757.db2.gz QESZCLKEZRXXTC-NPJIAGGLSA-N 0 1 508.571 3.023 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000009357175 553246685 /nfs/dbraw/zinc/24/66/85/553246685.db2.gz QESZCLKEZRXXTC-IUKMQXEJSA-N 0 1 508.571 3.023 50 30 KGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000009357251 553246945 /nfs/dbraw/zinc/24/69/45/553246945.db2.gz UEPWYTUWWIFRGX-XMMPIXPASA-N 0 1 528.627 3.056 50 30 KGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000009358079 553247233 /nfs/dbraw/zinc/24/72/33/553247233.db2.gz HXBXCHPMSULSGE-QFIPXVFZSA-N 0 1 502.564 3.225 50 30 KGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(OC)c1 ZINC000009358560 553247734 /nfs/dbraw/zinc/24/77/34/553247734.db2.gz YPGCNJDJOJOVQN-DEOSSOPVSA-N 0 1 528.627 3.485 50 30 KGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(OC)c1 ZINC000009361076 553248667 /nfs/dbraw/zinc/24/86/67/553248667.db2.gz AEADWQKPRXMBQJ-QHCPKHFHSA-N 0 1 514.600 3.095 50 30 KGEAMN Cn1c2nc(NN=Cc3cc(Br)ccc3O)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000009375209 553251108 /nfs/dbraw/zinc/25/11/08/553251108.db2.gz MCPHCGOKUWPQGS-YSURURNPSA-N 0 1 517.771 3.050 50 30 KGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009380517 553251672 /nfs/dbraw/zinc/25/16/72/553251672.db2.gz ZTUMNFFIEHXCEJ-RUZDIDTESA-N 0 1 510.587 3.321 50 30 KGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009380518 553251743 /nfs/dbraw/zinc/25/17/43/553251743.db2.gz ZTUMNFFIEHXCEJ-VWLOTQADSA-N 0 1 510.587 3.321 50 30 KGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(OC)cc1 ZINC000009411319 553257428 /nfs/dbraw/zinc/25/74/28/553257428.db2.gz SGTMGYOVHKZYST-XMMPIXPASA-N 0 1 528.627 3.485 50 30 KGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(OC)cc1 ZINC000009412598 553257628 /nfs/dbraw/zinc/25/76/28/553257628.db2.gz IZJUSASKKRAJRB-HSZRJFAPSA-N 0 1 514.600 3.095 50 30 KGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009412603 553257672 /nfs/dbraw/zinc/25/76/72/553257672.db2.gz IZJUSASKKRAJRB-QHCPKHFHSA-N 0 1 514.600 3.095 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000009412677 553257865 /nfs/dbraw/zinc/25/78/65/553257865.db2.gz ACDHQIDVOPKWDI-NPJIAGGLSA-N 0 1 508.571 3.023 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000009412681 553257875 /nfs/dbraw/zinc/25/78/75/553257875.db2.gz ACDHQIDVOPKWDI-IUKMQXEJSA-N 0 1 508.571 3.023 50 30 KGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000009424602 553258881 /nfs/dbraw/zinc/25/88/81/553258881.db2.gz WOZMRDGYPDGCCS-LJQANCHMSA-N 0 1 520.332 3.159 50 30 KGEAMN 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COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000020064408 553675029 /nfs/dbraw/zinc/67/50/29/553675029.db2.gz XXDIFBLDMPLOIB-NRFANRHFSA-N 0 1 501.377 3.368 50 30 KGEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000020064410 553675034 /nfs/dbraw/zinc/67/50/34/553675034.db2.gz XXDIFBLDMPLOIB-OAQYLSRUSA-N 0 1 501.377 3.368 50 30 KGEAMN COc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000020064693 553675404 /nfs/dbraw/zinc/67/54/04/553675404.db2.gz LMXIKDMIJPGTLR-NRFANRHFSA-N 0 1 517.376 3.074 50 30 KGEAMN COc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000020064694 553675507 /nfs/dbraw/zinc/67/55/07/553675507.db2.gz LMXIKDMIJPGTLR-OAQYLSRUSA-N 0 1 517.376 3.074 50 30 KGEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020065991 553675670 /nfs/dbraw/zinc/67/56/70/553675670.db2.gz PBSNZOLOVOABHP-HXUWFJFHSA-N 0 1 516.348 3.268 50 30 KGEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020065993 553675755 /nfs/dbraw/zinc/67/57/55/553675755.db2.gz PBSNZOLOVOABHP-FQEVSTJZSA-N 0 1 516.348 3.268 50 30 KGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000020081704 553680759 /nfs/dbraw/zinc/68/07/59/553680759.db2.gz ZQKMDLYXUVIBHQ-VWLOTQADSA-N 0 1 510.587 3.321 50 30 KGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000020081707 553680592 /nfs/dbraw/zinc/68/05/92/553680592.db2.gz ZQKMDLYXUVIBHQ-RUZDIDTESA-N 0 1 510.587 3.321 50 30 KGEAMN CCOc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020133427 553592285 /nfs/dbraw/zinc/59/22/85/553592285.db2.gz NEEQKMBZNDHOEU-SANMLTNESA-N 0 1 516.598 3.490 50 30 KGEAMN CCOc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020133431 553592298 /nfs/dbraw/zinc/59/22/98/553592298.db2.gz NEEQKMBZNDHOEU-AREMUKBSSA-N 0 1 516.598 3.490 50 30 KGEAMN CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000020192913 553606180 /nfs/dbraw/zinc/60/61/80/553606180.db2.gz CMZYSJHIJMZJGI-JCMHNJIXSA-N 0 1 507.685 3.499 50 30 KGEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020219304 553614687 /nfs/dbraw/zinc/61/46/87/553614687.db2.gz BWKYEVVKWGYISP-AREMUKBSSA-N 0 1 520.582 3.323 50 30 KGEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020219305 553614793 /nfs/dbraw/zinc/61/47/93/553614793.db2.gz BWKYEVVKWGYISP-SANMLTNESA-N 0 1 520.582 3.323 50 30 KGEAMN C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000020230748 553617497 /nfs/dbraw/zinc/61/74/97/553617497.db2.gz HGZQDPQVVSCOAJ-JCMHNJIXSA-N 0 1 505.669 3.275 50 30 KGEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020263135 553629437 /nfs/dbraw/zinc/62/94/37/553629437.db2.gz DBGJBGVOSUIVNU-QHCPKHFHSA-N 0 1 516.978 3.276 50 30 KGEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020263138 553629402 /nfs/dbraw/zinc/62/94/02/553629402.db2.gz DBGJBGVOSUIVNU-HSZRJFAPSA-N 0 1 516.978 3.276 50 30 KGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1Cl ZINC000020264588 553629835 /nfs/dbraw/zinc/62/98/35/553629835.db2.gz CPSNBAIOSPQWRD-JOCHJYFZSA-N 0 1 516.978 3.276 50 30 KGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000020264990 553629811 /nfs/dbraw/zinc/62/98/11/553629811.db2.gz SAMBCWJAJKPKQM-VWLOTQADSA-N 0 1 510.587 3.403 50 30 KGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000020264993 553629861 /nfs/dbraw/zinc/62/98/61/553629861.db2.gz SAMBCWJAJKPKQM-RUZDIDTESA-N 0 1 510.587 3.403 50 30 KGEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000020265032 553629829 /nfs/dbraw/zinc/62/98/29/553629829.db2.gz HUGCWWXLMFEQHI-VWLOTQADSA-N 0 1 510.587 3.403 50 30 KGEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000020265035 553629868 /nfs/dbraw/zinc/62/98/68/553629868.db2.gz HUGCWWXLMFEQHI-RUZDIDTESA-N 0 1 510.587 3.403 50 30 KGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000020265055 553629856 /nfs/dbraw/zinc/62/98/56/553629856.db2.gz WJYQTISZUVOHIZ-HSZRJFAPSA-N 0 1 516.978 3.276 50 30 KGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000020265058 553629899 /nfs/dbraw/zinc/62/98/99/553629899.db2.gz WJYQTISZUVOHIZ-QHCPKHFHSA-N 0 1 516.978 3.276 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000020265176 553629885 /nfs/dbraw/zinc/62/98/85/553629885.db2.gz NYNZLMYFAPQJHX-DEOSSOPVSA-N 0 1 508.571 3.179 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000020265180 553630023 /nfs/dbraw/zinc/63/00/23/553630023.db2.gz NYNZLMYFAPQJHX-XMMPIXPASA-N 0 1 508.571 3.179 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000020265504 553630074 /nfs/dbraw/zinc/63/00/74/553630074.db2.gz BBDYKWSASLBTJY-RUZDIDTESA-N 0 1 508.571 3.179 50 30 KGEAMN CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020280736 553631003 /nfs/dbraw/zinc/63/10/03/553631003.db2.gz FOWZQOJXHRXWRZ-DEOSSOPVSA-N 0 1 525.602 3.117 50 30 KGEAMN CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020280739 553631040 /nfs/dbraw/zinc/63/10/40/553631040.db2.gz FOWZQOJXHRXWRZ-XMMPIXPASA-N 0 1 525.602 3.117 50 30 KGEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020290688 553635272 /nfs/dbraw/zinc/63/52/72/553635272.db2.gz GPHKXCJKGGLXLT-VWLOTQADSA-N 0 1 508.571 3.157 50 30 KGEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020290691 553635308 /nfs/dbraw/zinc/63/53/08/553635308.db2.gz GPHKXCJKGGLXLT-RUZDIDTESA-N 0 1 508.571 3.157 50 30 KGEAMN Cc1c(C#N)c(=O)n(C)c(N2CCN(Cc3ccccc3)CC2)c1/C=C1\SC(=S)N(C(C)C)C1=O ZINC000020308051 553636093 /nfs/dbraw/zinc/63/60/93/553636093.db2.gz MGGPTGAFEIUTGY-HMAPJEAMSA-N 0 1 507.685 3.497 50 30 KGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)c(O)c1 ZINC000020309424 553636899 /nfs/dbraw/zinc/63/68/99/553636899.db2.gz SXIBMBQAFBSUKR-RUZDIDTESA-N 0 1 510.587 3.489 50 30 KGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC(C)C)cc2)c(O)c1 ZINC000020309426 553636904 /nfs/dbraw/zinc/63/69/04/553636904.db2.gz SXIBMBQAFBSUKR-VWLOTQADSA-N 0 1 510.587 3.489 50 30 KGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(OC(C)C)c2)c(O)c1 ZINC000020309460 553636675 /nfs/dbraw/zinc/63/66/75/553636675.db2.gz YVZAKVRHOOLIKJ-RUZDIDTESA-N 0 1 510.587 3.489 50 30 KGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(OC(C)C)c2)c(O)c1 ZINC000020309462 553636914 /nfs/dbraw/zinc/63/69/14/553636914.db2.gz YVZAKVRHOOLIKJ-VWLOTQADSA-N 0 1 510.587 3.489 50 30 KGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c(O)c1 ZINC000020309506 553636920 /nfs/dbraw/zinc/63/69/20/553636920.db2.gz REVOXWJZPOCYBA-OAQYLSRUSA-N 0 1 517.376 3.074 50 30 KGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Br)c2)c(O)c1 ZINC000020309509 553636856 /nfs/dbraw/zinc/63/68/56/553636856.db2.gz REVOXWJZPOCYBA-NRFANRHFSA-N 0 1 517.376 3.074 50 30 KGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)c(O)c1 ZINC000020309546 553637174 /nfs/dbraw/zinc/63/71/74/553637174.db2.gz OICGPQPGFHQXSS-OAQYLSRUSA-N 0 1 517.376 3.074 50 30 KGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Br)cc2)c(O)c1 ZINC000020309549 553637142 /nfs/dbraw/zinc/63/71/42/553637142.db2.gz OICGPQPGFHQXSS-NRFANRHFSA-N 0 1 517.376 3.074 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000020391255 553644944 /nfs/dbraw/zinc/64/49/44/553644944.db2.gz FMBPLPOIEQWPEC-VWLOTQADSA-N 0 1 508.571 3.266 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000020391259 553645018 /nfs/dbraw/zinc/64/50/18/553645018.db2.gz FMBPLPOIEQWPEC-RUZDIDTESA-N 0 1 508.571 3.266 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000020436667 553648574 /nfs/dbraw/zinc/64/85/74/553648574.db2.gz YHJUHKDHNFUAMI-VWLOTQADSA-N 0 1 508.571 3.179 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000020436670 553648603 /nfs/dbraw/zinc/64/86/03/553648603.db2.gz YHJUHKDHNFUAMI-RUZDIDTESA-N 0 1 508.571 3.179 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000020442206 553649600 /nfs/dbraw/zinc/64/96/00/553649600.db2.gz KBLOOLGLPOVNFH-VWLOTQADSA-N 0 1 508.571 3.179 50 30 KGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000020442211 553649595 /nfs/dbraw/zinc/64/95/95/553649595.db2.gz KBLOOLGLPOVNFH-RUZDIDTESA-N 0 1 508.571 3.179 50 30 KGEAMN Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CN3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1C#N ZINC000020479440 553657754 /nfs/dbraw/zinc/65/77/54/553657754.db2.gz VCKUUUXWYHVNRY-QFIPXVFZSA-N 0 1 520.033 3.145 50 30 KGEAMN Cc1cc(=O)n2c3ccccc3n(C[C@H](O)CN3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1C#N ZINC000020479443 553657724 /nfs/dbraw/zinc/65/77/24/553657724.db2.gz VCKUUUXWYHVNRY-JOCHJYFZSA-N 0 1 520.033 3.145 50 30 KGEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000021487007 553710187 /nfs/dbraw/zinc/71/01/87/553710187.db2.gz JQWYENSGQUWTFC-QHCPKHFHSA-N 0 1 513.660 3.374 50 30 KGEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000021487008 553710184 /nfs/dbraw/zinc/71/01/84/553710184.db2.gz JQWYENSGQUWTFC-HSZRJFAPSA-N 0 1 513.660 3.374 50 30 KGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@]23c2ccccc2N(CC)C3=O)cc1 ZINC000024147873 553789940 /nfs/dbraw/zinc/78/99/40/553789940.db2.gz RICSEQDAVQBVEB-SSEXGKCCSA-N 0 1 531.609 3.073 50 30 KGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@]23c2ccccc2N(CC)C3=O)cc1 ZINC000024147877 553790072 /nfs/dbraw/zinc/79/00/72/553790072.db2.gz RICSEQDAVQBVEB-PMERELPUSA-N 0 1 531.609 3.073 50 30 KGEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000027017980 553823359 /nfs/dbraw/zinc/82/33/59/553823359.db2.gz UORZGUGUNBCLKE-DEOSSOPVSA-N 0 1 521.599 3.147 50 30 KGEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000027017985 553823347 /nfs/dbraw/zinc/82/33/47/553823347.db2.gz UORZGUGUNBCLKE-XMMPIXPASA-N 0 1 521.599 3.147 50 30 KGEAMN CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(F)cc2)cc1 ZINC000027987947 553836778 /nfs/dbraw/zinc/83/67/78/553836778.db2.gz BCQAOZOGJJPBKO-JOCHJYFZSA-N 0 1 504.580 3.471 50 30 KGEAMN CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(F)cc2)cc1 ZINC000027987949 553837119 /nfs/dbraw/zinc/83/71/19/553837119.db2.gz BCQAOZOGJJPBKO-QFIPXVFZSA-N 0 1 504.580 3.471 50 30 KGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(O)c1 ZINC000027987984 553837103 /nfs/dbraw/zinc/83/71/03/553837103.db2.gz SJMPJPQZKVZWOT-QHCPKHFHSA-N 0 1 514.600 3.182 50 30 KGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1cccc(O)c1 ZINC000027987988 553837091 /nfs/dbraw/zinc/83/70/91/553837091.db2.gz SJMPJPQZKVZWOT-HSZRJFAPSA-N 0 1 514.600 3.182 50 30 KGEAMN CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2cccc(OC)c2)cc1 ZINC000027988000 553837130 /nfs/dbraw/zinc/83/71/30/553837130.db2.gz AMVDJMAODAXJMS-HSZRJFAPSA-N 0 1 516.616 3.341 50 30 KGEAMN CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2cccc(OC)c2)cc1 ZINC000027988006 553837136 /nfs/dbraw/zinc/83/71/36/553837136.db2.gz AMVDJMAODAXJMS-QHCPKHFHSA-N 0 1 516.616 3.341 50 30 KGEAMN C=CCN(CC=C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000033032938 553891601 /nfs/dbraw/zinc/89/16/01/553891601.db2.gz SIOPQHNCLNFUJQ-UHFFFAOYSA-N 0 1 519.465 3.474 50 30 KGEAMN COc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000033355390 553934424 /nfs/dbraw/zinc/93/44/24/553934424.db2.gz XIWFIDDONBGTNC-DEOSSOPVSA-N 0 1 537.594 3.128 50 30 KGEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000033355392 553934516 /nfs/dbraw/zinc/93/45/16/553934516.db2.gz XIWFIDDONBGTNC-XMMPIXPASA-N 0 1 537.594 3.128 50 30 KGEAMN C#CCOC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036340254 554219882 /nfs/dbraw/zinc/21/98/82/554219882.db2.gz POBYSLFCWIARNV-VWLOTQADSA-N 0 1 501.587 3.084 50 30 KGEAMN C#CCOC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036340255 554219975 /nfs/dbraw/zinc/21/99/75/554219975.db2.gz POBYSLFCWIARNV-RUZDIDTESA-N 0 1 501.587 3.084 50 30 KGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000038140022 554262503 /nfs/dbraw/zinc/26/25/03/554262503.db2.gz ZYGJKVSJOLBLBB-AREMUKBSSA-N 0 1 538.597 3.166 50 30 KGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000038140024 554262511 /nfs/dbraw/zinc/26/25/11/554262511.db2.gz ZYGJKVSJOLBLBB-SANMLTNESA-N 0 1 538.597 3.166 50 30 KGEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(C)s2)cc(OC)c1OC ZINC000038140050 554262578 /nfs/dbraw/zinc/26/25/78/554262578.db2.gz OHKFTGWDTBIWFK-HXUWFJFHSA-N 0 1 525.539 3.426 50 30 KGEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(C)s2)cc(OC)c1OC ZINC000038140052 554262555 /nfs/dbraw/zinc/26/25/55/554262555.db2.gz OHKFTGWDTBIWFK-FQEVSTJZSA-N 0 1 525.539 3.426 50 30 KGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000038140082 554262479 /nfs/dbraw/zinc/26/24/79/554262479.db2.gz GZMRKQPWHXIOPD-RUZDIDTESA-N 0 1 542.654 3.446 50 30 KGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000038140084 554262599 /nfs/dbraw/zinc/26/25/99/554262599.db2.gz GZMRKQPWHXIOPD-VWLOTQADSA-N 0 1 542.654 3.446 50 30 KGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000038140090 554262532 /nfs/dbraw/zinc/26/25/32/554262532.db2.gz WTMOURVFNXYYAB-XMMPIXPASA-N 0 1 544.626 3.190 50 30 KGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000038140093 554262549 /nfs/dbraw/zinc/26/25/49/554262549.db2.gz WTMOURVFNXYYAB-DEOSSOPVSA-N 0 1 544.626 3.190 50 30 KGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000038150079 554271465 /nfs/dbraw/zinc/27/14/65/554271465.db2.gz LZRGEELZRRGKBK-XMMPIXPASA-N 0 1 544.626 3.103 50 30 KGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000038150080 554271385 /nfs/dbraw/zinc/27/13/85/554271385.db2.gz LZRGEELZRRGKBK-DEOSSOPVSA-N 0 1 544.626 3.103 50 30 KGEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCCC2)cc(OC)c1OC ZINC000041543420 554296486 /nfs/dbraw/zinc/29/64/86/554296486.db2.gz JCKQTCUSQFGZTL-XMMPIXPASA-N 0 1 524.570 3.158 50 30 KGEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCCC2)cc(OC)c1OC ZINC000041543423 554296386 /nfs/dbraw/zinc/29/63/86/554296386.db2.gz JCKQTCUSQFGZTL-DEOSSOPVSA-N 0 1 524.570 3.158 50 30 KGEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCCC2)cc(OC)c1OC ZINC000041544783 554296479 /nfs/dbraw/zinc/29/64/79/554296479.db2.gz LABBTJJUSHYWHH-HSZRJFAPSA-N 0 1 510.543 3.115 50 30 KGEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCCC2)cc(OC)c1OC ZINC000041544786 554296524 /nfs/dbraw/zinc/29/65/24/554296524.db2.gz LABBTJJUSHYWHH-QHCPKHFHSA-N 0 1 510.543 3.115 50 30 KGEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000053290593 554331631 /nfs/dbraw/zinc/33/16/31/554331631.db2.gz WFKAHENIAGLQMG-JOCHJYFZSA-N 0 1 525.403 3.316 50 30 KGEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000053290595 554331556 /nfs/dbraw/zinc/33/15/56/554331556.db2.gz WFKAHENIAGLQMG-QFIPXVFZSA-N 0 1 525.403 3.316 50 30 KGEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000053319163 554336141 /nfs/dbraw/zinc/33/61/41/554336141.db2.gz DCGLUYPJFLOAHD-NRFANRHFSA-N 0 1 529.387 3.146 50 30 KGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000053319164 554336166 /nfs/dbraw/zinc/33/61/66/554336166.db2.gz DCGLUYPJFLOAHD-OAQYLSRUSA-N 0 1 529.387 3.146 50 30 KGEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O ZINC000053334956 554340702 /nfs/dbraw/zinc/34/07/02/554340702.db2.gz FZXFSDIFIVBHEO-CMJOXMDJSA-N 0 1 573.440 3.397 50 30 KGEAMN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1cnc[nH]1 ZINC000070691984 553608830 /nfs/dbraw/zinc/60/88/30/553608830.db2.gz SFBRIYGBUOEWSA-MVRZZEOJSA-N 0 1 539.673 3.224 50 30 biogenic KGEAMN C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5cnc[nH]5)C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070692259 553610713 /nfs/dbraw/zinc/61/07/13/553610713.db2.gz VWNXXDRIBVHHMQ-HSCRAQQZSA-N 0 1 536.673 3.310 50 30 biogenic KGEAMN C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](Cc5cnc[nH]5)C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070692260 553610624 /nfs/dbraw/zinc/61/06/24/553610624.db2.gz VWNXXDRIBVHHMQ-ULHAHEQLSA-N 0 1 536.673 3.310 50 30 biogenic KGEAMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000070692347 553611173 /nfs/dbraw/zinc/61/11/73/553611173.db2.gz PJPCYEHVXAIXOO-PKZHNXSISA-N 0 1 512.651 3.306 50 30 biogenic KGEAMN COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000070692348 553611207 /nfs/dbraw/zinc/61/12/07/553611207.db2.gz PJPCYEHVXAIXOO-AKPRZWKVSA-N 0 1 512.651 3.306 50 30 biogenic KGEAMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000070698723 553614735 /nfs/dbraw/zinc/61/47/35/553614735.db2.gz BULBTDPFRMAGQW-SKEBRDROSA-N 0 1 524.662 3.472 50 30 biogenic KGEAMN COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000070698726 553614717 /nfs/dbraw/zinc/61/47/17/553614717.db2.gz BULBTDPFRMAGQW-GYYKLRIYSA-N 0 1 524.662 3.472 50 30 biogenic KGEAMN CCOc1ccc(N2C(=O)C(=Cc3ccc(CN(CCC#N)S(C)(=O)=O)o3)C(=O)NC2=S)cc1 ZINC000084688254 553677987 /nfs/dbraw/zinc/67/79/87/553677987.db2.gz IRVCWHPYPQCVOZ-UYRXBGFRSA-N 0 1 502.574 3.025 50 30 KGEAMN CS(=O)(=O)N(CCC#N)Cc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1 ZINC000084904195 553678290 /nfs/dbraw/zinc/67/82/90/553678290.db2.gz KOHMYUCPOUCWOB-BOPFTXTBSA-N 0 1 537.417 3.389 50 30 KGEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@@H]2c2cc3c(c(OC)c2OC)OCO3)c1 ZINC000085413166 553681090 /nfs/dbraw/zinc/68/10/90/553681090.db2.gz ORDJLNKLCCXYAD-OAQYLSRUSA-N 0 1 510.543 3.115 50 30 KGEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@H]2c2cc3c(c(OC)c2OC)OCO3)c1 ZINC000085413168 553680876 /nfs/dbraw/zinc/68/08/76/553680876.db2.gz ORDJLNKLCCXYAD-NRFANRHFSA-N 0 1 510.543 3.115 50 30 KGEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@@H]2c2cc(OC)c3c(c2OC)OCO3)c1 ZINC000085413173 553680975 /nfs/dbraw/zinc/68/09/75/553680975.db2.gz BOZMGBNZJDMJHF-OAQYLSRUSA-N 0 1 510.543 3.115 50 30 KGEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@H]2c2cc(OC)c3c(c2OC)OCO3)c1 ZINC000085413176 553680912 /nfs/dbraw/zinc/68/09/12/553680912.db2.gz BOZMGBNZJDMJHF-NRFANRHFSA-N 0 1 510.543 3.115 50 30 KGEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN2CCCC2)cc2c1OCO2 ZINC000085413425 553680869 /nfs/dbraw/zinc/68/08/69/553680869.db2.gz ZVYFSFXADSBCOA-HSZRJFAPSA-N 0 1 510.543 3.115 50 30 KGEAMN COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN2CCCC2)cc2c1OCO2 ZINC000085413429 553681072 /nfs/dbraw/zinc/68/10/72/553681072.db2.gz ZVYFSFXADSBCOA-QHCPKHFHSA-N 0 1 510.543 3.115 50 30 KGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000085413572 553681049 /nfs/dbraw/zinc/68/10/49/553681049.db2.gz GZYHZABXBSUHBW-GAJHUEQPSA-N 0 1 513.543 3.487 50 30 KGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000085413577 553680967 /nfs/dbraw/zinc/68/09/67/553680967.db2.gz GZYHZABXBSUHBW-SBUREZEXSA-N 0 1 513.543 3.487 50 30 KGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000085413579 553680883 /nfs/dbraw/zinc/68/08/83/553680883.db2.gz GZYHZABXBSUHBW-UZUQRXQVSA-N 0 1 513.543 3.487 50 30 KGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000085413581 553680920 /nfs/dbraw/zinc/68/09/20/553680920.db2.gz GZYHZABXBSUHBW-HXOBKFHXSA-N 0 1 513.543 3.487 50 30 KGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000085413583 553680957 /nfs/dbraw/zinc/68/09/57/553680957.db2.gz ZEGONTAJBXEJRZ-XMMPIXPASA-N 0 1 526.586 3.404 50 30 KGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000085413589 553680986 /nfs/dbraw/zinc/68/09/86/553680986.db2.gz ZEGONTAJBXEJRZ-DEOSSOPVSA-N 0 1 526.586 3.404 50 30 KGEAMN Oc1c(I)cc(I)cc1C=NN1C(=S)N=NC1c1cccnc1 ZINC000097939483 553759387 /nfs/dbraw/zinc/75/93/87/553759387.db2.gz BWSOTVSUZPSCMK-CNHKJKLMSA-N 0 1 549.135 3.426 50 30 KGEAMN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000097939679 553760208 /nfs/dbraw/zinc/76/02/08/553760208.db2.gz PDQVVNCQRZRKFZ-ZQBYOIRZSA-N 0 1 534.587 3.218 50 30 KGEAMN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000097939680 553760168 /nfs/dbraw/zinc/76/01/68/553760168.db2.gz PDQVVNCQRZRKFZ-LIUKBUMOSA-N 0 1 534.587 3.218 50 30 KGEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000097951568 553809977 /nfs/dbraw/zinc/80/99/77/553809977.db2.gz BFUYIUXMDCOSKC-JOCHJYFZSA-N 0 1 531.403 3.377 50 30 KGEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000097951569 553809927 /nfs/dbraw/zinc/80/99/27/553809927.db2.gz BFUYIUXMDCOSKC-QFIPXVFZSA-N 0 1 531.403 3.377 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)c1C ZINC000097967029 553913169 /nfs/dbraw/zinc/91/31/69/553913169.db2.gz MGEQCAAAQLXVKB-QFIPXVFZSA-N 0 1 560.445 3.481 50 30 KGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c1C ZINC000097967030 553913128 /nfs/dbraw/zinc/91/31/28/553913128.db2.gz MGEQCAAAQLXVKB-JOCHJYFZSA-N 0 1 560.445 3.481 50 30 KGEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O ZINC000097967466 553918873 /nfs/dbraw/zinc/91/88/73/553918873.db2.gz FZXFSDIFIVBHEO-WNSKOXEYSA-N 0 1 573.440 3.397 50 30 KGEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O ZINC000097967467 553918850 /nfs/dbraw/zinc/91/88/50/553918850.db2.gz FZXFSDIFIVBHEO-IQMFZBJNSA-N 0 1 573.440 3.397 50 30 KGEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O 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/nfs/dbraw/zinc/93/13/61/553931361.db2.gz FQCXJUXTHKVYTR-HHHXNRCGSA-N 0 1 550.608 3.332 50 30 KGEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097968364 553931651 /nfs/dbraw/zinc/93/16/51/553931651.db2.gz FQCXJUXTHKVYTR-MHZLTWQESA-N 0 1 550.608 3.332 50 30 KGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c1C ZINC000097969068 553936226 /nfs/dbraw/zinc/93/62/26/553936226.db2.gz PJKJOOYKYNPCAQ-VWLOTQADSA-N 0 1 555.628 3.126 50 30 KGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c1C ZINC000097969069 553936277 /nfs/dbraw/zinc/93/62/77/553936277.db2.gz PJKJOOYKYNPCAQ-RUZDIDTESA-N 0 1 555.628 3.126 50 30 KGEAMN Cc1cc(C2N=NC(=S)N2N=Cc2cc(I)cc(I)c2O)n[nH]1 ZINC000097969224 553938221 /nfs/dbraw/zinc/93/82/21/553938221.db2.gz GNWRZBDHGZDRNF-FZSIALSZSA-N 0 1 552.139 3.062 50 30 KGEAMN Oc1c(I)cc(I)cc1C=NN1C(=S)N=NC1c1n[nH]c2c1CCC2 ZINC000097969833 553945428 /nfs/dbraw/zinc/94/54/28/553945428.db2.gz 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ZINC000098047197 554147614 /nfs/dbraw/zinc/14/76/14/554147614.db2.gz BAQJXLJESPYHSM-MHZLTWQESA-N 0 1 585.723 3.416 50 30 KGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@]23c2ccccc2N(CC=C)C3=O)cc1 ZINC000098047229 554148022 /nfs/dbraw/zinc/14/80/22/554148022.db2.gz OYWZLWMHKVXACE-HKBQPEDESA-N 0 1 543.620 3.239 50 30 KGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@]23c2ccccc2N(CC=C)C3=O)cc1 ZINC000098047230 554147964 /nfs/dbraw/zinc/14/79/64/554147964.db2.gz OYWZLWMHKVXACE-WJOKGBTCSA-N 0 1 543.620 3.239 50 30 KGEAMN CN(C)S(=O)(=O)c1cccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000098047925 554157693 /nfs/dbraw/zinc/15/76/93/554157693.db2.gz LUDDZRMQSZYQOQ-RUZDIDTESA-N 0 1 555.697 3.145 50 30 KGEAMN CN(C)S(=O)(=O)c1cccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000098047926 554157680 /nfs/dbraw/zinc/15/76/80/554157680.db2.gz LUDDZRMQSZYQOQ-VWLOTQADSA-N 0 1 555.697 3.145 50 30 KGEAMN CN(C)S(=O)(=O)c1cccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OCc3ccccc3)cc2)c1 ZINC000098047927 554157676 /nfs/dbraw/zinc/15/76/76/554157676.db2.gz UDTISQIWSHPWAY-GDLZYMKVSA-N 0 1 605.713 3.426 50 30 KGEAMN CN(C)S(=O)(=O)c1cccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OCc3ccccc3)cc2)c1 ZINC000098047928 554157616 /nfs/dbraw/zinc/15/76/16/554157616.db2.gz UDTISQIWSHPWAY-LJAQVGFWSA-N 0 1 605.713 3.426 50 30 KGEAMN CCOc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000098047947 554158134 /nfs/dbraw/zinc/15/81/34/554158134.db2.gz LJOBBVGFEYZHCV-RUZDIDTESA-N 0 1 541.670 3.400 50 30 KGEAMN CCOc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000098047948 554158169 /nfs/dbraw/zinc/15/81/69/554158169.db2.gz LJOBBVGFEYZHCV-VWLOTQADSA-N 0 1 541.670 3.400 50 30 KGEAMN Cc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000098047955 554158156 /nfs/dbraw/zinc/15/81/56/554158156.db2.gz VCTZXIFXOMPQBS-AREMUKBSSA-N 0 1 553.681 3.080 50 30 KGEAMN Cc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000098047956 554157967 /nfs/dbraw/zinc/15/79/67/554157967.db2.gz VCTZXIFXOMPQBS-SANMLTNESA-N 0 1 553.681 3.080 50 30 KGEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000098050299 554173577 /nfs/dbraw/zinc/17/35/77/554173577.db2.gz RAZYFLSMVKKEPQ-AREMUKBSSA-N 0 1 571.696 3.026 50 30 KGEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000098050300 554173684 /nfs/dbraw/zinc/17/36/84/554173684.db2.gz RAZYFLSMVKKEPQ-SANMLTNESA-N 0 1 571.696 3.026 50 30 KGEAMN COc1c(Br)cc(Br)cc1C=NN=c1nc(N2CCCC2)[nH]c(N2CCOCC2)n1 ZINC000100037772 554191569 /nfs/dbraw/zinc/19/15/69/554191569.db2.gz ASHJMYILFFFFRC-WSDLNYQXSA-N 0 1 541.248 3.288 50 30 KGEAMN COc1cc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc(OC)c(OC)c3)cc2)nc(OC)n1 ZINC000100081658 554207047 /nfs/dbraw/zinc/20/70/47/554207047.db2.gz RYMWLGRFYPITEC-VAWYXSNFSA-N 0 1 500.533 3.120 50 30 KGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@@H]2c2cc3c(c(OC)c2OC)OCO3)cc1OC ZINC000100254985 554263774 /nfs/dbraw/zinc/26/37/74/554263774.db2.gz BODUWQAHSZBOPT-JOCHJYFZSA-N 0 1 540.569 3.124 50 30 KGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@H]2c2cc3c(c(OC)c2OC)OCO3)cc1OC ZINC000100254989 554263719 /nfs/dbraw/zinc/26/37/19/554263719.db2.gz BODUWQAHSZBOPT-QFIPXVFZSA-N 0 1 540.569 3.124 50 30 KGEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN2CCCC2)c(OC)c2c1OCO2 ZINC000100255002 554263798 /nfs/dbraw/zinc/26/37/98/554263798.db2.gz AZXASKBGEKFQKS-JOCHJYFZSA-N 0 1 540.569 3.124 50 30 KGEAMN COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN2CCCC2)c(OC)c2c1OCO2 ZINC000100255007 554263714 /nfs/dbraw/zinc/26/37/14/554263714.db2.gz AZXASKBGEKFQKS-QFIPXVFZSA-N 0 1 540.569 3.124 50 30 KGEAMN N=C(N)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000100257860 554264959 /nfs/dbraw/zinc/26/49/59/554264959.db2.gz MMUPNFDLRJKKHE-HXUWFJFHSA-N 0 1 528.949 3.434 50 30 KGEAMN N=C(N)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000100257867 554265016 /nfs/dbraw/zinc/26/50/16/554265016.db2.gz MMUPNFDLRJKKHE-FQEVSTJZSA-N 0 1 528.949 3.434 50 30 KGEAMN CCCC(=O)C1=C(N2CCN(C3=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C3)CC2)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100319575 554304192 /nfs/dbraw/zinc/30/41/92/554304192.db2.gz BKXKXLGSNOJLAG-WMPKNSHKSA-N 0 1 586.726 3.427 50 30 biogenic KGEAMN CCCC(=O)C1=C(N2CCN(C3=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C3)CC2)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100319578 554304223 /nfs/dbraw/zinc/30/42/23/554304223.db2.gz BKXKXLGSNOJLAG-CLJLJLNGSA-N 0 1 586.726 3.427 50 30 biogenic KGEAMN CCCC(=O)C1=C(N2CCN(C3=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C3)CC2)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100319581 554304194 /nfs/dbraw/zinc/30/41/94/554304194.db2.gz BKXKXLGSNOJLAG-UIOOFZCWSA-N 0 1 586.726 3.427 50 30 biogenic KGEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000100559630 554417481 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ZINC000101337515 554734349 /nfs/dbraw/zinc/73/43/49/554734349.db2.gz IVCNAWZBYNLOHK-AREMUKBSSA-N 0 1 553.681 3.080 50 30 KGEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000101337518 554734557 /nfs/dbraw/zinc/73/45/57/554734557.db2.gz IVCNAWZBYNLOHK-SANMLTNESA-N 0 1 553.681 3.080 50 30 KGEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Cl)c1 ZINC000101337548 554734631 /nfs/dbraw/zinc/73/46/31/554734631.db2.gz KQIYMJNMYHMWDK-RUZDIDTESA-N 0 1 574.099 3.425 50 30 KGEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Cl)c1 ZINC000101337550 554734615 /nfs/dbraw/zinc/73/46/15/554734615.db2.gz KQIYMJNMYHMWDK-VWLOTQADSA-N 0 1 574.099 3.425 50 30 KGEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000101337554 554734668 /nfs/dbraw/zinc/73/46/68/554734668.db2.gz IYOIKEFULIQPEO-HHHXNRCGSA-N 0 1 567.708 3.470 50 30 KGEAMN 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