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1442 SMILES Strings for Alpha-1D adrenergic receptor

Compound NameSMILES String
BDBM50453799 COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |r,c:4,9|
BDBM10452 C(CCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
BDBM21393 CCCN(CCC)C1CCc2cccc(O)c2C1
BDBM21397 Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM22864 NCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
BDBM22867 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
BDBM22872 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
BDBM23926 Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
BDBM29568 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
BDBM50451157 C[C@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
BDBM50451156 C[C@H]1OC(=O)N([C@@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
BDBM31046 Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
BDBM35234 NCC(O)c1ccc(O)c(O)c1
BDBM56339 Clc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1
BDBM66983 CN1CCc2cccc(Cl)c2CC1
BDBM69602 COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
BDBM79180 CCOC(=O)C1=C(COCCN)N=C(C)C(C1c1ccccc1Cl)C(=O)OC |c:5,t:12|
BDBM82517 COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
BDBM82424 COC(=O)C1C(C(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:36,t:33|
BDBM81790 CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
BDBM86170 CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
BDBM86175 CNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
BDBM86052 CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1
BDBM86053 Nc1nc2CCN(CC=C)CCc2s1
BDBM86475 CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O
BDBM84637 CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
BDBM85848 COc1cccc2OCC3CN(CCCCn4c(=O)[nH]c5c6nc(cnc6sc5c4=O)-c4ccccc4)CC3c12
BDBM85595 Fc1cccc2OC3CNCC3Oc12
BDBM85709 NC1=NC2(CO1)CCc1ccccc1C2 |t:1|
BDBM85833 COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2[N+]([O-])=O)CC1
BDBM85092 C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
BDBM86843 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)c(F)c1 |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-29.34,-3.08,;-26.67,-3.08,;-26.67,-4.62,;-25.34,-2.31,)|
BDBM86708 COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
BDBM86709 COc1ccccc1N(CCN1CCN(CC1)c1ccccc1OC)C(=O)C1CCCCC1
BDBM86710 COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
BDBM86844 COc1ccc(Cl)cc1NC(=O)NC1CCC(CC1)N1CCN(CC1)c1ccccc1OC(C)C |(-24.01,-4.62,;-24.01,-3.08,;-25.34,-2.31,;-26.67,-3.08,;-28.01,-2.31,;-28.01,-.77,;-29.34,,;-26.67,,;-25.34,-.77,;-24.01,,;-22.67,-.77,;-21.34,,;-22.67,-2.31,;-21.34,-3.08,;-21.34,-4.62,;-20.01,-5.39,;-18.67,-4.62,;-18.67,-3.08,;-20.01,-2.31,;-17.34,-5.39,;-17.34,-6.93,;-16,-7.7,;-14.67,-6.93,;-14.67,-5.39,;-16,-4.62,;-13.34,-7.7,;-13.34,-9.24,;-12,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-12,-6.93,;-12,-5.39,;-10.67,-4.62,;-10.67,-3.08,;-9.34,-5.39,)|
BDBM86845 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1c(F)cccc1F |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-26.67,1.54,;-28.01,-.77,;-28.01,-2.31,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
BDBM86846 CCOc1ccccc1OCCNC(C)Cc1ccc(OC)c(c1)S(N)(=O)=O
BDBM86847 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1c(Cl)cc(Cl)cc1Cl |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-26.67,1.54,;-28.01,-.77,;-28.01,-2.31,;-29.34,-3.08,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
BDBM86848 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1cc(F)ccc1F |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-29.34,,;-28.01,-2.31,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
BDBM86849 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)NCc1cccc(F)c1 |(5.33,-12.32,;5.33,-13.86,;6.67,-14.63,;4,-14.63,;4,-16.17,;5.33,-16.94,;5.33,-18.48,;4,-19.25,;2.67,-18.48,;2.67,-16.94,;1.33,-16.17,;,-16.94,;-1.33,-16.17,;-1.33,-14.63,;,-13.86,;1.33,-14.63,;-2.67,-13.86,;-4,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-4,-11.55,;-2.67,-12.32,;-6.67,-11.55,;-8,-12.32,;-8,-13.86,;-9.34,-11.55,;-10.67,-12.32,;-12,-11.55,;-12,-10.01,;-13.34,-9.24,;-14.67,-10.01,;-14.67,-11.55,;-16,-12.32,;-13.34,-12.32,)|
BDBM86850 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)cc1F |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-29.34,-3.08,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
BDBM86851 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccccc1Cl |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-25.34,-2.31,;-26.67,-3.08,;-28.01,-2.31,;-28.01,-.77,;-26.67,,;-26.67,1.54,)|
BDBM86852 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1c(Cl)cccc1Cl |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-26.67,1.54,;-28.01,-.77,;-28.01,-2.31,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
BDBM86853 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1cccc(Cl)c1 |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-26.67,-3.08,;-26.67,-4.62,;-25.34,-2.31,)|
BDBM86854 COc1ccc(NC(=O)NC2CCC(CC2)N2CCN(CC2)c2ccccc2OC(C)C)c(OC)c1 |(-29.34,-4.62,;-29.34,-3.08,;-28.01,-2.31,;-28.01,-.77,;-26.67,,;-25.34,-.77,;-24.01,,;-22.67,-.77,;-21.34,,;-22.67,-2.31,;-21.34,-3.08,;-21.34,-4.62,;-20.01,-5.39,;-18.67,-4.62,;-18.67,-3.08,;-20.01,-2.31,;-17.34,-5.39,;-17.34,-6.93,;-16,-7.7,;-14.67,-6.93,;-14.67,-5.39,;-16,-4.62,;-13.34,-7.7,;-13.34,-9.24,;-12,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-12,-6.93,;-12,-5.39,;-10.67,-4.62,;-10.67,-3.08,;-9.34,-5.39,;-25.34,-2.31,;-24.01,-3.08,;-24.01,-4.62,;-26.67,-3.08,)|
BDBM86855 COc1ccccc1NC(=O)NC1CCC(CC1)N1CCN(CC1)c1ccccc1OC(C)C |(-25.34,2.31,;-26.67,1.54,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-26.67,-3.08,;-25.34,-2.31,;-25.34,-.77,;-24.01,,;-22.67,-.77,;-21.34,,;-22.67,-2.31,;-21.34,-3.08,;-21.34,-4.62,;-20.01,-5.39,;-18.67,-4.62,;-18.67,-3.08,;-20.01,-2.31,;-17.34,-5.39,;-17.34,-6.93,;-16,-7.7,;-14.67,-6.93,;-14.67,-5.39,;-16,-4.62,;-13.34,-7.7,;-13.34,-9.24,;-12,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-12,-6.93,;-12,-5.39,;-10.67,-4.62,;-10.67,-3.08,;-9.34,-5.39,)|
BDBM86731 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
BDBM50003331 CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccccn4)CC3)CC(=O)c2c1
BDBM50001786 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
BDBM50001955 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
BDBM50002173 Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
BDBM50005127 O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
BDBM50007567 CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
BDBM50007568 CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
BDBM50006952 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
BDBM50013515 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50017519 CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
BDBM50017550 CCCNC1CCc2nc(N)sc2C1
BDBM50016017 CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
BDBM50016897 Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50022722 CC(N)C(O)c1ccccc1
BDBM50019848 C1CN=C(N1)C1COc2ccccc2O1 |c:2|
BDBM50020680 CCCN(CCC)CCc1cccc2NC(=O)Cc12
BDBM50025206 C[NH+](C)C1CCc2cc(O)c(O)cc2C1
BDBM50028421 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
BDBM50029266 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1
BDBM50029275 CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1
BDBM50027058 COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50027060 C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|
BDBM50026636 COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50026917 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50026928 O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1
BDBM50026941 Clc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50004767 COc1ccccc1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50004769 C(COc1ccccc1)NCC1COCC(O1)(c1ccccc1)c1ccccc1
BDBM50002730 Cl.COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1 |r|
BDBM50002731 Cl.COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3CCCCc3cc2O1 |r|
BDBM50002732 Cl.COc1ccc2CCCCc2c1OCCNC[C@@H]1COc2ccccc2O1 |r|
BDBM50002733 Cl.COc1ccc(cc1OCCNC[C@@H]1COc2ccccc2O1)-c1ccccc1 |r|
BDBM50002734 Cl.COc1cc(ccc1OCCNC[C@@H]1COc2ccccc2O1)-c1ccccc1 |r|
BDBM50002735 Cl.COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1 |r|
BDBM50002729 Cl.COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3CCCCc3cc2O1 |r|
BDBM50000212 C(Oc1ccccc1-c1ncc[nH]1)C1=NCCN1 |t:15|
BDBM50000213 Cc1cnsc1-c1ccccc1OCC1=NCCN1 |t:16|
BDBM50000214 C(Nc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|
BDBM50000195 C(Oc1ccccc1-c1ccoc1)C1=NCCN1 |t:15|
BDBM50000196 C(Oc1ccccc1-c1ccncn1)C1=NCCN1 |t:16|
BDBM50000216 C(Oc1ccccc1-c1cccs1)C1=NCCN1 |t:15|
BDBM50000217 C(Oc1ccccc1-c1ncccn1)C1=NCCN1 |t:16|
BDBM50000218 C(Oc1ccccc1-c1cnccn1)C1=NCCN1 |t:16|
BDBM50000197 C(Oc1ccccc1-c1ccco1)C1=NCCN1 |t:15|
BDBM50000198 Cn1nccc1-c1ccccc1OCC1=NCCN1 |t:16|
BDBM50000206 Cc1cc(sn1)-c1ccccc1OCC1=NCCN1 |t:16|
BDBM50000215 CS(=O)(=O)Nc1ccc(F)c(c1)[C@@H](O)CN
BDBM50033852 COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12
BDBM50000200 CCN(CC)C(=O)c1ccccc1OCC1=NCCN1 |t:16|
BDBM50000201 Cc1cccnc1-c1ccccc1OCC1=NCCN1 |t:17|
BDBM50000202 Cc1ccc(s1)-c1ccccc1OCC1=NCCN1 |t:16|
BDBM50000204 Cc1csc(n1)-c1ccccc1OCC1=NCCN1 |t:16|
BDBM50000205 C(Oc1ccccc1-c1cc[nH]n1)C1=NCCN1 |t:15|
BDBM50000203 Cc1cccc(n1)-c1ccccc1OCC1=NCCN1 |t:17|
BDBM50000209 C(Oc1ccccc1-c1ccncc1)C1=NCCN1 |t:16|
BDBM50000210 C(Oc1ccccc1-c1ccsc1)C1=NCCN1 |t:15|
BDBM50000207 C(Oc1ccccc1-c1ccns1)C1=NCCN1 |t:15|
BDBM50000208 C(Oc1ccccc1-c1nccs1)C1=NCCN1 |t:15|
BDBM50033109 COc1cc2CCN(Cc2cc1OC)c1cc(N)c2cc(OC)c(OC)cc2n1
BDBM50033110 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1
BDBM50033111 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
BDBM50033112 COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1
BDBM50033113 O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1
BDBM50030613 CNC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O
BDBM50030614 CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23
BDBM50030615 CCc1sc2ccc(Cl)c3CCN(C)Cc1c23
BDBM50030617 Cc1nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c(-c2ccc(cc2)[N+]([O-])=O)c1C(N)=O
BDBM50030619 CN1CCc2c(Cl)ccc3oc(Br)c(C1)c23
BDBM50030621 COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O
BDBM50030623 [#6]-[#7]-1-[#6]-[#6]-c2c(Cl)ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-1
BDBM50030624 COC(=O)c1c(C)nc(C)c(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O
BDBM50034682 COC(=[OH+])C1=C(C)N=C(C)C([C@@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
BDBM50034683 COC(=[OH+])C1=C(C)N=C(C)C([C@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
BDBM50034681 COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
BDBM50455469 COc1cc2nc(nc(N)c2cc1OC)N1CCN[C@H](C1)C(=O)NC(C)(C)C
BDBM50004770 COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
BDBM50004772 COc1cccc(OC)c1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
BDBM50004766 COc1cccc(OC)c1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50004768 C(COc1ccccc1)NC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50050913 COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1
BDBM50050915 COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1
BDBM50050916 COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1
BDBM50050917 COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1
BDBM50057463 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C
BDBM50057465 COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
BDBM50057486 COc1ccc(CC2N(CCc3cc(OC)c(OC)cc23)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1OC
BDBM50060964 CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
BDBM50060965 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
BDBM50063906 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)c1ccco1
BDBM50063907 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1
BDBM50063908 COc1cc2nc(nc(N)c2cc1OC)N1CCN[C@@H](C1)C(=O)NC(C)(C)C
BDBM50068819 COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
BDBM50068839 COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:17|
BDBM50073025 COc1ccccc1N1CCN(CCNc2ccc3c4c(cn3n2)c(Cl)nn(C)c4=O)CC1
BDBM50073026 COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1
BDBM50073027 Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4Cl)ccc3c2c1=O
BDBM50073028 Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4)ccc3c2c1=O
BDBM50071688 CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1
BDBM50071689 COC(=O)C1(CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1)c1ccccc1
BDBM50071645 COc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
BDBM50071646 O=C1N(CCCCN2CCC(CC2)n2c3ccccc3oc2=O)S(=O)(=O)c2ccccc12
BDBM50071647 Clc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
BDBM50071648 Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12
BDBM50071649 Fc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
BDBM50071650 Cc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
BDBM50071651 Cc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
BDBM50071652 Fc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
BDBM50071653 [O-][N+](=O)c1ccc2C(=O)N(CCCCN3CCC(CC3)n3c4ccccc4oc3=O)S(=O)(=O)c2c1
BDBM50071654 CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
BDBM50071655 COc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
BDBM50071656 O=C1N(CCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)c2ccccc12
BDBM50071657 Cc1cc(C)c2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1
BDBM50071658 CS(=O)(=O)c1ccc2C(=O)N(CCCCN3CCC(CC3)n3c4ccccc4oc3=O)S(=O)(=O)c2c1
BDBM50071659 O=C1N(CCCCN2CCC(CC2)n2c3cc4CCCCc4cc3oc2=O)S(=O)(=O)c2ccccc12
BDBM50071660 Cc1ccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1
BDBM50071661 [O-][N+](=O)c1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
BDBM50071662 COC(=O)c1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
BDBM50071685 CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1
BDBM50074002 C(Cc1cccc2ccccc12)N1CCC2(CC1)CCc1ccccc1O2
BDBM50074003 O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc12
BDBM50074004 O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc12
BDBM50074005 CS(=O)(=O)Nc1ccc2C(=O)CC3(CCN(CCc4ccccn4)CC3)Oc2c1
BDBM50074006 O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc12
BDBM50074007 Cc1noc(C)c1S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
BDBM50074008 Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2
BDBM50074009 COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2
BDBM50074010 C(Cc1cccc2ccccc12)N1CCC2(CC1)Oc1ccccc1C=C2 |c:29|
BDBM50074011 O=C1c2ccccc2CC11CCN(CCc2cccc3ccccc23)CC1
BDBM50074012 Cn1cnc(c1)S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
BDBM50074013 CS(=O)(=O)Nc1ccc2C(=O)CC3(CCN(CCc4cccc5ccccc45)CC3)Oc2c1
BDBM50074014 O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc12
BDBM50082837 COCC1=C(C(N(C(=O)NCCCN2CCN(CC2)c2ccccc2C(N)=O)C(=O)N1)c1cc(F)c(F)cc1F)C(=O)OC |t:3|
BDBM50082838 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccc(cc1)C(C)=O |c:4|
BDBM50082839 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(C[C@@H]1C)c1ccccc1[N+]([O-])=O |c:4|
BDBM50082840 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1 |c:4|
BDBM50082841 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:4|
BDBM50082842 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1[N+]([O-])=O |c:4|
BDBM50082843 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1O |c:4|
BDBM50082844 CCC1=C(C(N(C(=O)NCCCN2CCN(CC2)c2ccccc2C(N)=O)C(=O)N1)c1ccc(F)cc1F)C(N)=O |t:2|
BDBM50082845 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C#N |c:4|
BDBM50082846 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1 |c:4|
BDBM50082847 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(=O)OC |c:4|
BDBM50082848 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccc(Cl)cc1 |c:4|
BDBM50082849 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccc(OC)cc1C |c:4|
BDBM50082850 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccc(OC)cc1 |c:4|
BDBM50082851 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(C[C@H]1C)c1ccccc1[N+]([O-])=O |c:4|
BDBM50082852 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC |c:4|
BDBM50082853 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F |c:4|
BDBM50082854 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1cccc(c1)[N+]([O-])=O |c:4|
BDBM50082855 CC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:3|
BDBM50082856 COCC1=C(C(N(C(=O)NCCCN2CCN(CC2)c2ccccc2C(N)=O)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50082857 CCOc1ccccc1N1CCN(CCCNC(=O)N2C(C(C(=O)OC)=C(C)NC2=O)c2ccc(F)c(F)c2)CC1 |t:26|
BDBM50082858 CCC1=C(C(N(C(=O)NCCCN2CCN(CC2)c2ccccc2C(N)=O)C(=O)N1)c1ccc(F)cc1F)C(=O)OC |t:2|
BDBM50082859 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C |c:4|
BDBM50082860 COC(=O)C1=C(C)NC(=O)N(C1c1cc(F)c(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:4|
BDBM50082861 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1Cl |c:4|
BDBM50082862 CC(=O)C1=C(C)NC(=O)N(C1c1cc(F)c(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:3|
BDBM50082863 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(CC2)c2ccccc2C(=O)OC)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082864 CNC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)cc1F |c:4,t:7|
BDBM50082865 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082866 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082867 COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082868 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(C#N)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082869 COC(=O)C1(CCN(CCCCCN2C(C(C(N)=O)=C(C)N=C2C)c2ccc(F)cc2F)CC1)c1ccccc1 |c:21,t:18|
BDBM50082870 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082784 CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(N)=O |t:2|
BDBM50082785 CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)OC |t:2|
BDBM50082786 COC(=O)C1=C(C)NC(=O)N(C1c1cccc(C)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082787 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082828 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)C(=O)Oc1ccccc21 |c:4|
BDBM50082829 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(OC)c1ccccc1 |c:4|
BDBM50082871 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)cc1F |c:4,t:7|
BDBM50082872 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)c2ccccc2OC)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082873 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(CC2)c2ccccc2OC)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082874 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(CC2)c2ccccc2C(N)=O)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082875 COCC1=C(C(N(CCCCCN2CCC(CC2)(C#N)c2ccccc2)C(C)=N1)c1ccc(F)c(F)c1)C(=O)OC |c:29,t:3|
BDBM50082876 COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082877 COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCC(CC2)(C#N)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082878 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)c2ccccc2C(F)(F)F)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082879 COCC1=NC(C)=C(C(N1CCCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(F)c(F)c1)C(=O)OC |c:6,t:3|
BDBM50082880 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(c2ccc(C)cc2)c2ccccc2C)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082881 COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(CC2)(C#N)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082882 COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(CC2)c2ccccc2C(N)=O)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082883 COC(=O)C1=C(C)N=C(C)N(Cc2cccc(CN3CCC(CC3)(C(=O)OC)c3ccccc3)c2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082884 COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCN(CC2)c2ccccc2C(N)=O)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082831 CCC1=C(C(N(C(=O)N2CCC(CC2)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)cc1F)C(N)=O |t:2|
BDBM50082833 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(C)(CC1)c1ccccc1 |c:4|
BDBM50082834 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)N1CCC(CC1)N1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082835 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1ccc(F)cc1)c1ccc(F)cc1 |c:4|
BDBM50082788 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4|
BDBM50082789 COC(=O)C1=C(C)NC(=O)N(C1c1cccc(F)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082790 CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(N)=O |t:2|
BDBM50082791 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(Cl)cc1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082792 COC(=O)C1=C(C)NC(=O)N(C1c1ccc2nonc2c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082793 COC(=O)C1(CCN(CCCNC(=O)N2C(C(C(O)=O)=C(C)NC2=O)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1 |t:19|
BDBM50082794 CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)cc1F)C(N)=O |t:2|
BDBM50082795 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(C)cc1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082796 COC(=O)C1=C(C)NC(=O)N(C1c1cccc(Cl)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082797 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082798 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)cc1F)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082799 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)cc1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082800 CNC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082801 CCOC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:5|
BDBM50082802 COC(=O)C1(CCN(CCCNC(=O)N2C(C(C(N)=O)=C(C)NC2=O)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1 |t:19|
BDBM50082803 CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NC |t:2|
BDBM50082804 CCC1=C(C(N(C(=O)NCCC(C)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(N)=O |t:2|
BDBM50082805 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1 |c:4|
BDBM50082806 COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2F)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50082807 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CCCc3ccccc23)CC1 |c:4|
BDBM50082808 COCC1=C(C(N(C(=O)NCCCN2CCC(C)(CC2)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50082809 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |c:4|
BDBM50082810 COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50082811 COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50082812 COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2cccc(F)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50082813 COC(=O)C1C(N(CC(=O)NCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N=C1C)c1ccc(F)c(F)c1 |c:33|
BDBM50082814 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)OC(=O)Cc1ccccc21 |c:4|
BDBM50082815 CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)cc1F)C(N)=O |t:2|
BDBM50082816 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1 |c:4|
BDBM50082817 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4|
BDBM50082818 COCC1=C(C(N(C(=O)N2CCC(CC2)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50082819 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccccc1 |c:4|
BDBM50082820 COCC1=C(C(N(C(=O)N2CCC(CC2)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1cc(F)c(F)c(F)c1)C(=O)OC |t:3|
BDBM50082821 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)OCCc1ccccc21 |c:4|
BDBM50082822 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1 |c:4|
BDBM50082823 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc21 |c:4|
BDBM50082824 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)OC(=O)c1ccccc21 |c:4|
BDBM50082825 COC(=O)C1C(N(CCCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N=C1C)c1ccc(F)c(F)c1 |c:32|
BDBM50082826 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(OC(C)=O)c1ccccc1 |c:4|
BDBM50082827 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1ccc(C)cc1)c1ccccc1C |c:4|
BDBM50081824 CCC1=NC(COCCN=[N+]=[N-])=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
BDBM50081825 CC1=NC(CCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:8,t:1|
BDBM50081826 CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(COCCN)N=C1CC)c1ccc(cc1)[N+]([O-])=O |c:41,t:34|
BDBM50081827 CCCCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:16,t:5|
BDBM50081828 CCC1=NC(COCC(F)(F)F)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
BDBM50081829 CC1=NC(CCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:1|
BDBM50081830 CCC1=C(C(C(C(N)=O)C(COCCN)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:2|
BDBM50081831 CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(CC)N=C1COCCN)c1ccc(cc1)[N+]([O-])=O |c:38,t:34|
BDBM50081832 CN(C)CC1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:21|
BDBM50081817 CCC1=NC(CCCCOC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
BDBM50081819 CCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:3|
BDBM50081833 COC(=O)C1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:21|
BDBM50081820 CC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)c1ccccc1 |c:8,t:1|
BDBM50081821 CCC1=NC(COC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:2|
BDBM50081822 COc1ccc(cc1)C1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:19,t:26|
BDBM50081823 CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
BDBM50084996 COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16|
BDBM50084997 Fc1ccc(cc1F)C1N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)NC2=C1C(=O)OC2 |c:36|
BDBM50084998 COC(=O)C1(CCN(CCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:15|
BDBM50084999 [O-][N+](=O)c1ccccc1N1CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1 |t:22|
BDBM50085000 COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc3nonc3c2)CC1)c1ccccc1 |t:16|
BDBM50085001 COC(=O)C1(CCN(CCCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:17|
BDBM50085002 Fc1ccc(cc1F)C1N(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)C(=O)NC2=C1C(=O)OC2 |c:41|
BDBM50085003 NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1 |t:22|
BDBM50085004 COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1 |t:16|
BDBM50085005 COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc3OCOc3c2)CC1)c1ccccc1 |t:16|
BDBM50088394 CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1
BDBM50088395 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1
BDBM50088396 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)[N+]([O-])=O)CC1
BDBM50088397 CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
BDBM50088398 COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088399 COC(CNC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(F)c1)CN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088400 COc1ccc(cc1OC)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088401 COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088402 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(Cl)cc2)CC1
BDBM50088403 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(C)c2)CC1
BDBM50088404 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1
BDBM50088405 CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(C)cc2)CC1
BDBM50088406 COc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
BDBM50088407 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
BDBM50088408 COc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088409 CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1
BDBM50088410 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)C(C)(C)C)CC1
BDBM50088411 CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
BDBM50088412 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(Cl)c(Cl)c2)CC1
BDBM50088413 CC(C)Oc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
BDBM50088414 CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1
BDBM50088415 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(F)cc2)CC1
BDBM50088416 CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(C)cc2)CC1
BDBM50088417 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(Cl)c2)CC1
BDBM50088418 COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NC[C@H](O)CN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088419 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(C)cc2)CC1
BDBM50088389 CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1
BDBM50088390 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccccc2)CC1
BDBM50088391 COc1cc(cc(OC)c1OC)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088392 CCOc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
BDBM50088393 COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NC[C@@H](O)CN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088697 CC(C)Oc1cc(F)ccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1
BDBM50088698 CC(C)Oc1ccccc1N1CCN(CCN(C)C(=O)CN2CCCCC2=O)CC1
BDBM50088699 CC(C)Oc1ccccc1N1CCN(CC(=O)CC(=O)CN2CCCCC2=O)CC1
BDBM50088700 CC(C)Oc1ccccc1N1CCN(CC(O)CC(=O)CN2CCCCC2=O)CC1
BDBM50088701 Fc1ccc(N2CCN(CCNC(=O)CN3CCCCC3=O)CC2)c(OCC(F)(F)F)c1
BDBM50088702 CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1
BDBM50088703 CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCCC2=O)CC1
BDBM50088704 CC(C)Oc1ccccc1N1CCN(CC1)C=CCC(=O)CN1CCCCC1=O |w:16.17|
BDBM50088705 CC(C)Oc1ccccc1N1CCN(CCOC(=O)CN2CCCCC2=O)CC1
BDBM50088706 CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1
BDBM50088707 CCOC(=O)C1CCC(=O)N1CC(=O)NCCN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088708 COc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1
BDBM50087462 COc1cccc2CCC3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3c12
BDBM50087463 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncncc6sc5c4=O)C[C@@H]3CCc12
BDBM50087464 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)[N+]([O-])=O)C[C@@H]3CCc12
BDBM50087465 COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12
BDBM50087466 COc1cccc2C3CN(CCCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12
BDBM50087467 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccncc6sc5c4=O)C[C@@H]3CCc12
BDBM50087468 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)C(N)=O)C[C@@H]3CCc12
BDBM50087469 COC(=O)c1ccc2sc3c([nH]c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c3=O)c2c1
BDBM50087470 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)C(=O)N(C)C)C[C@@H]3CCc12
BDBM50087471 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncc(nc6sc5c4=O)-c4ccccc4)C[C@@H]3CCc12
BDBM50087472 COc1ccc2sc3c([nH]c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c3=O)c2n1
BDBM50087473 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccc(cc6sc5c4=O)C#N)C[C@@H]3CCc12
BDBM50087474 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6c(Cl)cccc6sc5c4=O)C[C@@H]3CCc12
BDBM50087475 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(sc6cccc(C#N)c56)c4=O)C[C@@H]3CCc12
BDBM50087476 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nc(C)c(C)nc6sc5c4=O)C[C@@H]3CCc12
BDBM50087477 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)C#N)C[C@@H]3CCc12
BDBM50087478 COc1ccc2CCC3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3c2c1
BDBM50087479 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(sc6cccc(C)c56)c4=O)C[C@@H]3CCc12
BDBM50087480 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cccc(Cl)c6sc5c4=O)C[C@@H]3CCc12
BDBM50087481 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(sc6cccc(OC)c56)c4=O)C[C@@H]3CCc12
BDBM50087482 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cccnc6sc5c4=O)C[C@@H]3CCc12
BDBM50087483 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccc(cc6sc5c4=O)C(F)(F)F)C[C@@H]3CCc12
BDBM50087484 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nc(Cl)ccc6sc5c4=O)C[C@@H]3CCc12
BDBM50087485 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cnccc6sc5c4=O)C[C@@H]3CCc12
BDBM50087486 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nc(cnc6sc5c4=O)-c4ccccc4)C[C@@H]3CCc12
BDBM50087487 COc1ccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc2c1
BDBM50087488 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccc(cc6sc5c4=O)C(N)=O)C[C@@H]3CCc12
BDBM50087489 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nccc(OC)c6sc5c4=O)C[C@@H]3CCc12
BDBM50087490 COc1cnc2sc3c([nH]c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c3=O)c2n1
BDBM50087491 COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6[nH]c5c4=O)CC3CCc12
BDBM50087492 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nccc(Cl)c6sc5c4=O)C[C@@H]3CCc12
BDBM50087493 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncc(C)nc6sc5c4=O)C[C@@H]3CCc12
BDBM50087494 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nccnc6sc5c4=O)C[C@@H]3CCc12
BDBM50087495 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(C)ccc6sc5c4=O)C[C@@H]3CCc12
BDBM50087496 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(Cl)ccc6sc5c4=O)C[C@@H]3CCc12
BDBM50087497 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nc(Cl)cnc6sc5c4=O)C[C@@H]3CCc12
BDBM50087498 COc1cccc2C3CN(CCCCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12
BDBM50087499 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cccc(C#N)c6sc5c4=O)C[C@@H]3CCc12
BDBM50087500 COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6oc5c4=O)CC3CCc12
BDBM50087501 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cncnc6sc5c4=O)C[C@@H]3CCc12
BDBM50085683 C[C@H](c1cnc[nH]1)c1cccc(C)c1C
BDBM50090647 C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
BDBM50091713 COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@@H](C2)N2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091714 COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@@H](C2)N2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091715 COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@H](C2)N2CCN(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091716 COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@H](C2)N2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091717 COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@@H](C2)N2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091718 COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@H](C2)N2CCN(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091719 COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@@H](C2)N2CCN(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091720 COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@H](C2)N2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091721 COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@H](C2)N2CCC(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091722 COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@H](C2)N2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091723 COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@@H](C2)N2CCC(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091724 COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@@H](C2)N2CCN(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091725 COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@H](C2)N2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091726 COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@H](C2)N2CCC(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091727 COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@@H](C2)N2CCC(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50090307 Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(C)cc1
BDBM50090308 COC(=O)C1(CCN(CCCNC(=O)Cc2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1
BDBM50090309 CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1cccc(F)c1
BDBM50090310 Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1Cl)c1ccc(C)cc1
BDBM50090311 Cc1ccc(cc1)C(C(=O)NCCCN1CCN(CC1)c1ccccc1)c1ccc(C)cc1
BDBM50090312 O=C(NCCCN1CCC(CC1)(C#N)c1ccccc1)C(c1ccccc1)c1ccccc1
BDBM50090313 Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccn1)c1ccc(C)cc1
BDBM50090314 Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C(N)=O)c1ccccc1)c1ccc(C)cc1
BDBM50090315 COC(=O)C1(CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1)c1ccccc1
BDBM50090316 CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(Cl)cc1
BDBM50090317 COC(=O)C1(CCN(CCNC(=O)CCc2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1
BDBM50090318 CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(C)cc1
BDBM50090319 COC(=O)C1(CCN(CCCNC(=O)CCc2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1
BDBM50090320 O=C(NCCCN1CCC(CC1)(C#N)c1ccccc1)C(C1CCCC1)c1ccccc1
BDBM50090321 CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccccc1
BDBM50090322 Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1
BDBM50090323 Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)c1ccccn1)c1ccc(C)cc1
BDBM50090324 CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)cc1
BDBM50090325 Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)c1ccccc1)c1ccc(C)cc1
BDBM50090326 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1 |c:30|
BDBM50090327 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1 |t:1|
BDBM50090328 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:29|
BDBM50090329 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccccc2C#N)=C1C)c1ccc(F)c(F)c1 |c:28|
BDBM50090330 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:29|
BDBM50090331 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:27|
BDBM50090332 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |t:1|
BDBM50090333 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:31|
BDBM50090334 CC(CNC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(F)c(F)c1)CN1CCC(CC1)(C#N)c1ccccn1 |c:6|
BDBM50090335 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |t:1|
BDBM50090336 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C#N |t:1|
BDBM50090337 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2C#N)=C1C)c1ccc(F)c(F)c1 |c:30|
BDBM50090338 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1F |t:1|
BDBM50090339 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N |t:1|
BDBM50090340 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccn2)=C1C)c1ccc(F)c(F)c1 |c:28|
BDBM50090341 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccccc1C#N |t:1|
BDBM50090300 Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C(F)(F)F)c1ccc(C)cc1
BDBM50090301 COC(=O)C1(CCN(CCCNC(=O)C(C)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1
BDBM50090302 O=C(NCCCN1CCC(CC1)(C#N)c1ccccc1)C(C1CCCCC1)c1ccccc1
BDBM50090303 COc1ccccc1C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)C#N
BDBM50090304 COC(=O)C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)c1ccccc1
BDBM50090010 CN1C(=O)N[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:29|
BDBM50090011 CN1[C@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C(C)N(C)C1=O)c1ccc(F)c(F)c1 |t:24|
BDBM50090012 CN1C=C([C@H](N(C)C1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |c:2|
BDBM50090013 COCC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccccn1)c1ccc(F)c(F)c1 |t:3|
BDBM50090014 CC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccccc1C#N)c1ccc(F)c(F)c1 |t:1|
BDBM50090015 CC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N)c1ccc(F)c(F)c1 |t:1|
BDBM50090016 CN1C=C([C@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |c:2|
BDBM50090017 CN1C(=O)N[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:27|
BDBM50090018 Fc1ccc(cc1F)[C@H]1NC(=O)N=CC1C(=O)NCCCN1CCC(CC1)c1ccccc1C#N |c:13|
BDBM50090019 CN1[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)C(C)=NC1=O)c1ccc(F)c(F)c1 |c:26|
BDBM50090020 CC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1)c1ccc(F)c(F)c1 |t:1|
BDBM50090021 CN1C(C)=C([C@H](N(C(C)=O)C1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |c:3|
BDBM50090022 Fc1ccc(cc1F)[C@H]1NC(=O)N=CC1C(=O)NCCCN1CCC(CC1)c1ccccn1 |c:13|
BDBM50090023 Fc1ccc(C2CCN(CCCNC(=O)C3C=NC(=O)N[C@@H]3c3ccc(F)c(F)c3)CC2)c(c1)C#N |c:16|
BDBM50090024 CN1C=C([C@@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1 |c:2|
BDBM50090025 Fc1ccc(cc1)C1(CCN(CCCNC(=O)C2C=NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1)C#N |c:19|
BDBM50090026 CN1C(=O)N[C@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:27|
BDBM50090027 CN1[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C(C)N(C)C1=O)c1ccc(F)c(F)c1 |t:24|
BDBM50090028 CN1C(=O)N[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:31|
BDBM50090029 CN1C(=O)N[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:29|
BDBM50090030 OC1(CCN(CCCNC(=O)C2C=NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1)c1ccc(F)cc1 |c:12|
BDBM50090031 Fc1ccc(cc1)C1CCN(CCCNC(=O)C2C=NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 |c:19|
BDBM50090032 CN1C=C([C@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1 |c:2|
BDBM50090033 CC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccccn1)c1ccc(F)c(F)c1 |t:1|
BDBM50090034 Fc1ccc(cc1)C1CCN(CCCNC(=O)C2[C@H](NC(=O)N=C2C(F)(F)F)c2ccc(F)c(F)c2)CC1 |c:23|
BDBM50090035 CN1C=C([C@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N |c:2|
BDBM50090036 Fc1ccc(cc1F)[C@H]1NC(=O)N=CC1C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C#N |c:13|
BDBM50090037 COCC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccccc1C#N)c1ccc(F)c(F)c1 |t:3|
BDBM50090038 Fc1ccc(C2CCN(CCCNC(=O)C3[C@H](NC(=O)N=C3C(F)(F)F)c3ccc(F)c(F)c3)CC2)c(c1)C#N |c:20|
BDBM50090039 Fc1ccc(cc1F)[C@H]1NC(=O)N=C(C1C(=O)NCCCN1CCC(CC1)c1ccccc1C#N)C(F)(F)F |c:13|
BDBM50090040 Fc1ccc(cc1F)[C@H]1NC(=O)N=C(C1C(=O)NCCCN1CCC(CC1)c1ccccn1)C(F)(F)F |c:13|
BDBM50090041 COC(=O)N1[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C(C)N(C)C1=O)c1ccc(F)c(F)c1 |t:27|
BDBM50090042 COCC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N)c1ccc(F)c(F)c1 |t:3|
BDBM50090043 COCC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1)c1ccc(F)c(F)c1 |t:3|
BDBM50090305 CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1
BDBM50090306 Cc1ccc(cc1)C(C(=O)NCCCN1CCN(CC1)c1ccccc1C)c1ccc(C)cc1
BDBM50093213 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1
BDBM50093214 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1
BDBM50093215 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)on2)CC1
BDBM50093216 CC(C)Oc1ccccc1N1CCN(CC2=NOC(CN3CCCCC3=O)C2)CC1 |t:16|
BDBM50093217 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nn2C)CC1
BDBM50093218 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nc(N)n2)CC1
BDBM50098334 CC(c1cnc[nH]1)c1sccc1Br
BDBM50098355 CC(c1cnc[nH]1)c1sccc1C
BDBM50100199 COc1cc2CN(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)C(=O)Nc2cc1OC
BDBM50100200 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(sc5c4=O)-c4ccccc4)C[C@@H]3CCc12
BDBM50100201 COc1cc2CN(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)CNc2cc1OC
BDBM50100202 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(C)cc(C)cc5c4=O)C[C@@H]3CCc12
BDBM50100203 COc1cc2CCN(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)Cc2cc1OC
BDBM50100204 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(Cl)ccc5c4=O)C[C@@H]3CCc12
BDBM50100205 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ccncc5c4=O)C[C@@H]3CCc12
BDBM50100206 COc1cc2n(C)c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC
BDBM50100207 COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1Cl
BDBM50100208 COC(=O)c1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1
BDBM50100209 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ccccc5c4=O)C[C@@H]3CCc12
BDBM50100210 COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1
BDBM50100211 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5nccnc5c4=O)C[C@@H]3CCc12
BDBM50100212 COc1sc2c([nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c2=O)c1C
BDBM50100213 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5[nH]ccc5c4=O)C[C@@H]3CCc12
BDBM50100214 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(C)c(C)ccc5c4=O)C[C@@H]3CCc12
BDBM50100215 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cscc5c4=O)C[C@@H]3CCc12
BDBM50100216 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(csc5c4=O)-c4ccccc4)C[C@@H]3CCc12
BDBM50100217 COc1sc2c([nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c2=O)c1C(C)C
BDBM50100218 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(C)c(C)cc5c4=O)C[C@@H]3CCc12
BDBM50100219 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cccc(Cl)c5c4=O)C[C@@H]3CCc12
BDBM50100220 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(NC(C)=O)ccc5c4=O)C[C@@H]3CCc12
BDBM50100221 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(OC)c(OC)ccc5c4=O)C[C@@H]3CCc12
BDBM50100222 COc1cccc2[C@@H]3CN(CCn4cnc5cc(OC)c(OC)cc5c4=O)C[C@@H]3CCc12
BDBM50100223 COc1cc(N)c(cc1OC)C(=O)NCCN1C[C@@H]2CCc3c(OC)cccc3[C@@H]2C1
BDBM50100224 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cnccc5c4=O)C[C@@H]3CCc12
BDBM50100225 COc1ccc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2c1
BDBM50100226 COc1cccc2[C@@H]3CN(CCN4CNc5cc(OC)c(OC)cc5C4=O)C[C@@H]3CCc12
BDBM50100227 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ccsc5c4=O)C[C@@H]3CCc12
BDBM50100228 COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)c2=O
BDBM50100229 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(ccc5c4=O)C#N)C[C@@H]3CCc12
BDBM50100230 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cccnc5c4=O)C[C@@H]3CCc12
BDBM50100231 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5sccc5c4=O)C[C@@H]3CCc12
BDBM50100232 COc1cc2CCN(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)C(=O)c2cc1OC
BDBM50100233 COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC
BDBM50100234 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ncccc5c4=O)C[C@@H]3CCc12
BDBM50100235 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(OC)cccc5c4=O)C[C@@H]3CCc12
BDBM50100236 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cccc(C)c5c4=O)C[C@@H]3CCc12
BDBM50100237 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(C)csc5c4=O)C[C@@H]3CCc12
BDBM50100238 COc1ccc2c(c1)[nH]c(=O)n(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)c2=O
BDBM50100239 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(ccc5c4=O)[N+]([O-])=O)C[C@@H]3CCc12
BDBM50100553 COc1ccccc1N1CCN(Cn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1
BDBM50100565 COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1
BDBM50099320 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1
BDBM50099321 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1
BDBM50099322 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
BDBM50099323 COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
BDBM50099324 COc1ccccc1N1CCN(CCn2c(=O)n(C)c3scc(-c4ccccc4)c3c2=O)CC1
BDBM50099325 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1
BDBM50099326 C[C@@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
BDBM50099327 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(cc3c2=O)-c2ccccc2)CC1
BDBM50102240 Cc1ccc(cc1)C(O)(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1
BDBM50102241 Cc1ccc(cc1)C1(CC(=O)N(CC(O)CN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1
BDBM50102242 Cc1ccc(cc1)C1(OC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1
BDBM50102243 Cc1ccc(cc1)C1(CC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1
BDBM50102244 Cc1ccc(cc1)C1(CC(=S)N(CCCN2CCC(CC2)(C#N)c2ccccc2Cl)C1=O)c1ccc(C)cc1
BDBM50102245 Cc1ccc(cc1)C1(CC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2Cl)C1=O)c1ccc(C)cc1
BDBM50102246 Cc1ccc(cc1)C(O)(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(C)cc1
BDBM50101649 COc1ccccc1N1CCN(CC1)c1c(C(C)=O)c(nn(C)c1=O)-c1ccccc1
BDBM50101650 COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
BDBM50101651 COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101652 CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2F)c(=O)n(C)nc1-c1ccccc1
BDBM50101653 COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1
BDBM50101654 CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2Cl)c(=O)n(C)nc1-c1ccccc1
BDBM50101655 COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101656 COc1ccc(Cl)cc1N1CCN(CCCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101657 CCC(=O)c1c(NCCN2CCN(CC2)c2ccccc2OC)c(=O)n(C)nc1-c1ccccc1
BDBM50101658 COc1ccc(Cl)cc1N1CCN(CCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101659 COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
BDBM50101660 COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101661 COc1ccccc1N1CCN(CCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101662 COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
BDBM50101663 COc1ccccc1N1CCN(CCCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101664 COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101665 COc1ccc(Cl)cc1N1CCN(CCCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
BDBM50101666 COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
BDBM50107234 COc1cccc2c(CCCN3CCN(CC3)c3ccccn3)cccc12
BDBM50107235 COc1cccc2c(CCCNCCOc3ccccn3)cccc12
BDBM50107240 COc1cccc2C(CCCNCCOc3ccccn3)CCCc12
BDBM50106731 OC(=O)CCCC[C@@H]1CCSS1 |r|
BDBM50116200 CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)cs2)CC1
BDBM50116201 COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1
BDBM50116202 COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3O)s2)CC1
BDBM50116203 COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)s2)CC1
BDBM50116204 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1
BDBM50116205 COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1
BDBM50116206 COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(CC2)c2ccccc2OC)s1
BDBM50116207 COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)s2)CC1
BDBM50116208 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1
BDBM50116209 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1
BDBM50116210 COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1
BDBM50116212 COc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1
BDBM50118702 COc1ccc(OC)c(c1)C(O)CN
BDBM50118703 CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:18|
BDBM50118705 CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1
BDBM50116928 CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1
BDBM50116930 OCc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
BDBM50116931 O=C1CCCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
BDBM50116932 CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)co2)CC1
BDBM50116933 CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCCC3=O)co2)CC1
BDBM50116934 CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)co2)CC1
BDBM50116935 CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)CC4(CCCC4)CC3=O)co2)CC1
BDBM50116936 CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1
BDBM50116937 O=C1CCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
BDBM50116938 O=C1CCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
BDBM50116939 CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)c4ccccc4C3=O)co2)CC1
BDBM50116940 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1
BDBM50122799 Cn1ccc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122803 C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
BDBM50122806 Fc1ccc(cc1)-n1cc(C2CCN(CCC#N)CC2)c2cc(ccc12)-c1ncccn1
BDBM50122807 Cn1cc(nn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122808 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
BDBM50122809 CN1CCC(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3ccc(cc23)-c2ncn(C)n2)C1=O
BDBM50122810 Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCC#N)CC3)c2c1)-c1ccc(F)cc1
BDBM50122811 Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122813 Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122815 Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122817 Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122824 Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122826 COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
BDBM50130338 COc1cc2[C@@H]3Cc4ccc(O)c(OC)c4CN3CCc2cc1O
BDBM50131888 Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCc1no[n+]([O-])c1C(N)=O)-c1ccccc1
BDBM50131889 Cc1c(COc2ccccc2N2CCN(CCCNC(=O)c3cccc4c3oc(-c3ccccc3)c(C)c4=O)CC2)no[n+]1[O-]
BDBM50131890 Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCc1no[n+]([O-])c1C#N)-c1ccccc1
BDBM50131891 Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCCCO[N+]([O-])=O)-c1ccccc1
BDBM50131402 Cn1nc(Cc2ccc3OCOc3c2)c2ccccc2c1=O
BDBM50131403 COc1cc(Cc2nn(C)c(=O)c3ccccc23)cc(OC)c1OC
BDBM50131404 COc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1
BDBM50131408 COc1ccc(Cc2nn(C)c(=O)c3ccccc23)cc1OC
BDBM50131410 COc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1OC
BDBM50131411 Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
BDBM50131414 O=c1[nH]nc(Cc2ccc3OCOc3c2)c2ccccc12
BDBM50131420 COc1cc(Cc2n[nH]c(=O)c3ccccc23)cc(OC)c1OC
BDBM50143703 Clc1ccc(Cl)c(c1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143704 CN(CCN(C)c1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143705 COc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143706 [O-][N+](=O)c1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143707 CCOC(=O)c1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143708 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CCC2=O)CC1
BDBM50143709 Clc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(Cl)c1
BDBM50143710 CN(CCNc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143711 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCCC3)CC2=O)CC1
BDBM50143712 CN(CCN1C(=O)CC2(CCCC2)CC1=O)CC(=O)N(C)c1cc(Cl)ccc1Cl
BDBM50143713 Clc1ccc(cc1Cl)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143714 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CCCC2=O)CC1
BDBM50143715 Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143716 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCC3)CC2=O)CC1
BDBM50143717 Cc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143718 Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143719 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)C=CC2=O)CC1 |c:18|
BDBM50143720 CC(CN1CCN(CC1)c1cc(Cl)ccc1Cl)N1C(=O)CC2(CCCC2)CC1=O
BDBM50143721 CN(CCOc1ccccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143722 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)C2=O)CC1
BDBM50143723 Cc1ccc(C)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143724 Cc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(C)c1
BDBM50143725 CN(CCN1C(=O)CC2(CCCC2)CC1=O)CC(=O)Nc1cc(Cl)ccc1Cl
BDBM50143726 Clc1ccc(I)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143727 Clc1ccc(Cl)c(OCCNCCN2C(=O)CC3(CCCC3)CC2=O)c1
BDBM50143728 CC1(C)CC(=O)N(CCN2CCN(CC2)c2ccccc2Cl)C(=O)C1
BDBM50143652 Clc1ccccc1C1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143653 COc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143654 Clc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143655 O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(CC1)c1ccccc1
BDBM50143656 COc1ccccc1OCCNCCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143657 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(Cc4ccccc4)CC3)CC2=O)CC1
BDBM50143658 O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1C#N
BDBM50143659 Brc1ccc(Br)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143660 CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143661 Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143662 COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 |c:16|
BDBM50143663 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(CC3)C(C)=O)CC2=O)CC1
BDBM50143664 Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143665 Clc1cccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1Cl
BDBM50143666 Fc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143667 Clc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143668 Fc1ccc(cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1)C(F)(F)F
BDBM50143669 [O-][N+](=O)c1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143670 CN(CCCN(C)c1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143671 Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1
BDBM50143672 FC(F)(F)c1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143673 Clc1ccc(Cl)c(c1)N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1
BDBM50143674 Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143675 CN(C(=O)CNCCN1C(=O)CC2(CCCC2)CC1=O)c1cc(Cl)ccc1Cl
BDBM50143676 Clc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 |c:15|
BDBM50143677 CC1CN(CC(C)N1CCN1C(=O)CC2(CCCC2)CC1=O)c1ccccc1[N+]([O-])=O
BDBM50143678 FC(F)(F)c1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143679 Clc1cccc(Cl)c1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143680 Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1
BDBM50143681 O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1C1CC1
BDBM50143682 Clc1ccc(Cl)c(c1)N1CCN(CCCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143683 CCC1(C)CC(=O)N(CCN2CCN(CC2)c2cc(Cl)ccc2Cl)C(=O)C1
BDBM50143684 Clc1ccc(Cl)c(c1)N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 |c:16|
BDBM50143685 FC(F)(F)c1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143686 CN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143687 Clc1ccc(C#N)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143688 CC1CN(CCN1CCN1C(=O)CC2(CCCC2)CC1=O)c1ccccc1[N+]([O-])=O
BDBM50143689 Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143690 [O-][N+](=O)c1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143691 Clc1ccc(Cl)c(c1)C1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143692 CC(C)c1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143693 Brc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143694 Clc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCC3)CC2=O)CC1
BDBM50143695 Cc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143696 Clc1ccccc1OCCNCCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143697 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143698 CN(CCCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143699 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCNCC3)CC2=O)CC1
BDBM50143700 COc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143701 Clc1ccccc1N1CCCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143702 COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1
BDBM50156304 CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
BDBM50156306 CCCO[N+]([O-])=O
BDBM50156303 Cc1c(C)c2OC(C)(COc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CCc2c(C)c1O
BDBM50156307 Oc1ccc(CCCO[N+]([O-])=O)cc1
BDBM50156308 CC(C)(C)c1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(c1O)C(C)(C)C
BDBM50156309 CC(C)(C)c1cc(CCCO[N+]([O-])=O)cc(c1O)C(C)(C)C
BDBM50156305 Cc1c(C)c2OC(C)(COCCCO[N+]([O-])=O)CCc2c(C)c1O
BDBM50156310 Oc1ccc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1
BDBM50160146 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
BDBM50160154 C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
BDBM50160160 COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
BDBM50158584 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C1=CC(=O)c2ccccc2C1=O |t:24|
BDBM50158610 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
BDBM50165417 Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50165418 Fc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(F)c1
BDBM50165419 Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50173162 [#6]-[#8]-c1cccc(c1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1ccc(-[#6])cc1
BDBM50173164 [#6]-c1ccc(cc1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1cccc(-[#8])c1
BDBM50176527 Oc1cc(O)cc(c1)-c1cc2cc(O)cc(O)c2oc1=O
BDBM50176528 COc1cc(OC)cc(c1)-c1cc2ccc(O)cc2oc1=O
BDBM50176525 Oc1ccc2cc(-c3cc(O)cc(O)c3)c(=O)oc2c1
BDBM50176526 Oc1ccc2oc(=O)c(cc2c1)-c1cc(O)cc(O)c1
BDBM50176522 COc1ccc2cc(-c3cc(OC)cc(OC)c3)c(=O)oc2c1
BDBM50176523 COc1ccc2oc(=O)c(cc2c1)-c1cc(OC)cc(OC)c1
BDBM50176524 COc1cc(OC)cc(c1)-c1cc2cc(OC)cc(OC)c2oc1=O
BDBM50183675 CSc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1
BDBM50183676 COc1ccc(Cc2nn(c(=O)c3ccccc23)C(C)(C)C)cc1OC
BDBM50183677 CCCCn1nc(Cc2ccc(OC)c(OC)c2)c2ccccc2c1=O
BDBM50183678 Clc1ccccc1Cc1n[nH]c(=O)c2ccccc12
BDBM50183679 COc1ccc(Cc2nn(CC=C)c(=O)c3ccccc23)cc1OC
BDBM50183680 Cn1nc(Cc2ccc(Cl)c(Cl)c2)c2ccccc2c1=O
BDBM50183681 CSc1ccc(Cc2nn(c(=O)c3ccccc23)C(C)(C)C)cc1
BDBM50183682 Cn1nc(Cc2ccc3ccccc3c2)c2ccccc2c1=O
BDBM50183683 O=c1[nH]nc(Cc2cccc3ccccc23)c2ccccc12
BDBM50183684 COc1ccc(Cc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1OC
BDBM50183685 O=c1[nH]nc(Cc2ccc3ccccc3c2)c2ccccc12
BDBM50183686 CSc1ccc(Cc2nn(-c3ccc(cc3)[N+]([O-])=O)c(=O)c3ccccc23)cc1
BDBM50183687 CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
BDBM50183688 CSc1ccc(Cc2nn(-c3ccc(Br)cc3)c(=O)c3ccccc23)cc1
BDBM50183689 Cn1nc(Cc2cccc3ccccc23)c2ccccc2c1=O
BDBM50183690 Cn1nc(Cc2ccccc2Cl)c2ccccc2c1=O
BDBM50183691 COc1ccc(Cc2nn(-c3ccc(Br)cc3)c(=O)c3ccccc23)cc1OC
BDBM50183692 Clc1ccc(Cc2nn(-c3ccc(Br)cc3)c(=O)c3ccccc23)cc1
BDBM50183693 CCCCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
BDBM50183662 [O-][N+](=O)c1ccc(cc1)-n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
BDBM50183663 CC(C)(C)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
BDBM50183664 CSc1ccc(Cc2nn(CC=C)c(=O)c3ccccc23)cc1
BDBM50183665 Clc1ccc(Cc2nn(CC=C)c(=O)c3ccccc23)cc1
BDBM50183666 Cn1nc(Cc2ccc(Cl)cc2Cl)c2ccccc2c1=O
BDBM50183667 CCn1nc(Cc2ccc(OC)c(OC)c2)c2ccccc2c1=O
BDBM50183668 Clc1ccc(Cc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1
BDBM50183669 CSc1ccc(Cc2nn(C)c(=O)c3ccccc23)cc1
BDBM50183670 COc1ccc(Cc2nn(-c3ccc(cc3)[N+]([O-])=O)c(=O)c3ccccc23)cc1OC
BDBM50183671 CCn1nc(Cc2ccc(SC)cc2)c2ccccc2c1=O
BDBM50183673 CSc1ccc(Cc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1
BDBM50183674 CCCCn1nc(Cc2ccc(SC)cc2)c2ccccc2c1=O
BDBM50186606 Oc1ccc(CC(CO[N+]([O-])=O)[N+]([O-])=O)cc1
BDBM50186607 CN(C)Cc1no[n+]([O-])c1C(N)=O
BDBM50186608 COc1cc(CC(CO[N+]([O-])=O)[N+]([O-])=O)cc(OC)c1O
BDBM50186610 CC(C)(C)c1cc(CC(CO[N+]([O-])=O)[N+]([O-])=O)cc(c1O)C(C)(C)C
BDBM50186611 COc1cc(CCCO[N+]([O-])=O)cc(OC)c1O
BDBM50186612 CC(CO[N+]([O-])=O)O[N+]([O-])=O
BDBM50186613 NC(=O)c1c(CO)no[n+]1[O-]
BDBM50186603 CN(Cc1no[n+]([O-])c1C(N)=O)CC1(C)CCc2c(C)c(O)c(C)c(C)c2O1
BDBM50186604 CN(CCCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Cc1no[n+]([O-])c1C(N)=O
BDBM50186605 COc1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(OC)c1O
BDBM50187747 C(CCN1CCCCC1)CCN1CCC(CC1)c1c[nH]c2ccccc12
BDBM50187749 C(CN1CCCCC1)CN1CCC(CC1)c1c[nH]c2ccccc12
BDBM50187753 Fc1ccc2c(c[nH]c2c1)C1CCN(CCCN2CCCCC2)CC1
BDBM50203480 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccc(F)cc3c2C1=O |(-7.03,-31.98,;-7.8,-30.64,;-9.34,-30.64,;-7.03,-29.31,;-7.8,-27.98,;-9.33,-27.97,;-10.1,-26.65,;-9.34,-25.32,;-7.8,-25.32,;-7.03,-26.65,;-5.49,-26.65,;-4.72,-27.99,;-3.19,-27.99,;-2.41,-26.66,;-3.18,-25.32,;-4.73,-25.32,;-.87,-26.67,;-.11,-28,;1.43,-28.01,;2.21,-26.68,;1.44,-25.34,;-.1,-25.34,;3.75,-26.68,;4.65,-25.44,;4.18,-23.97,;6.11,-25.92,;7.45,-25.16,;8.77,-25.93,;8.77,-27.48,;10.09,-28.25,;10.08,-29.79,;8.74,-30.55,;8.73,-32.09,;7.41,-29.77,;7.43,-28.24,;6.1,-27.46,;4.64,-27.93,;4.16,-29.39,)|
BDBM50203481 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccccc3c2C1=O |(15.23,-21.71,;14.46,-20.38,;12.92,-20.38,;15.23,-19.04,;14.46,-17.71,;12.92,-17.71,;12.15,-16.39,;12.91,-15.06,;14.46,-15.05,;15.23,-16.38,;16.76,-16.38,;17.53,-17.72,;19.07,-17.73,;19.84,-16.39,;19.08,-15.06,;17.53,-15.05,;21.38,-16.4,;22.15,-17.74,;23.69,-17.74,;24.46,-16.41,;23.7,-15.08,;22.16,-15.07,;26,-16.42,;26.91,-15.17,;26.44,-13.71,;28.37,-15.65,;29.7,-14.9,;31.03,-15.67,;31.02,-17.22,;32.35,-17.99,;32.34,-19.52,;31,-20.29,;29.67,-19.51,;29.68,-17.97,;28.36,-17.2,;26.9,-17.67,;26.42,-19.13,)|
BDBM50203482 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccc(F)c2C1=O |(16.25,-12.88,;15.48,-11.55,;13.94,-11.55,;16.25,-10.21,;15.48,-8.88,;13.95,-8.88,;13.18,-7.55,;13.94,-6.23,;15.48,-6.22,;16.25,-7.55,;17.79,-7.55,;18.56,-8.89,;20.09,-8.89,;20.87,-7.56,;20.1,-6.23,;18.55,-6.22,;22.41,-7.57,;23.17,-8.91,;24.71,-8.91,;25.49,-7.58,;24.72,-6.25,;23.18,-6.24,;27.03,-7.59,;27.92,-8.83,;27.44,-10.3,;29.38,-8.37,;30.71,-9.14,;32.05,-8.38,;32.05,-6.84,;30.72,-6.07,;30.73,-4.53,;29.39,-6.82,;27.93,-6.34,;27.46,-4.88,)|
BDBM50203483 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2c(C1=O)c(F)c(F)c(F)c2F |(15.49,-2.51,;14.72,-1.17,;13.18,-1.17,;15.49,.16,;14.72,1.5,;13.18,1.5,;12.42,2.82,;13.18,4.15,;14.72,4.15,;15.49,2.82,;17.03,2.82,;17.79,1.49,;19.33,1.48,;20.1,2.81,;19.34,4.15,;17.79,4.16,;21.64,2.81,;22.41,1.47,;23.95,1.46,;24.72,2.79,;23.96,4.13,;22.42,4.14,;26.26,2.79,;27.17,4.03,;26.69,5.5,;28.63,3.55,;28.62,2.01,;27.16,1.54,;26.68,.08,;29.94,1.23,;29.93,-.31,;31.28,1.99,;32.61,1.21,;31.29,3.54,;32.63,4.3,;29.96,4.31,;29.97,5.85,)|
BDBM50203484 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccnc2C1=O |(-5.9,-44.57,;-6.67,-43.23,;-8.21,-43.23,;-5.9,-41.9,;-6.67,-40.57,;-8.21,-40.56,;-8.97,-39.24,;-8.21,-37.91,;-6.67,-37.91,;-5.9,-39.24,;-4.36,-39.24,;-3.6,-40.58,;-2.06,-40.58,;-1.29,-39.25,;-2.05,-37.91,;-3.6,-37.91,;.25,-39.26,;1.02,-40.59,;2.56,-40.6,;3.33,-39.27,;2.57,-37.93,;1.03,-37.93,;4.87,-39.28,;5.78,-38.03,;5.31,-36.56,;7.24,-38.51,;8.57,-37.75,;9.9,-38.52,;9.89,-40.07,;8.55,-40.83,;7.23,-40.05,;5.77,-40.52,;5.29,-41.98,)|
BDBM50203485 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O |(-6.31,-12.94,;-7.08,-11.61,;-8.62,-11.61,;-6.3,-10.28,;-7.07,-8.94,;-8.61,-8.94,;-9.38,-7.62,;-8.62,-6.29,;-7.07,-6.28,;-6.31,-7.61,;-4.77,-7.62,;-4,-8.95,;-2.47,-8.96,;-1.69,-7.63,;-2.46,-6.29,;-4,-6.28,;-.15,-7.63,;.62,-8.97,;2.16,-8.98,;2.93,-7.64,;2.17,-6.31,;.63,-6.3,;4.47,-7.65,;5.37,-6.4,;4.9,-4.94,;6.84,-6.89,;8.17,-6.13,;9.5,-6.9,;10.83,-6.13,;9.49,-8.45,;10.82,-9.22,;8.15,-9.21,;6.82,-8.43,;5.36,-8.9,;4.88,-10.36,)|
BDBM50203486 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccncc2C1=O |(16.6,-44.54,;15.83,-43.21,;14.29,-43.21,;16.6,-41.88,;15.83,-40.54,;14.3,-40.54,;13.53,-39.22,;14.29,-37.89,;15.83,-37.88,;16.6,-39.21,;18.14,-39.22,;18.91,-40.55,;20.44,-40.56,;21.22,-39.23,;20.45,-37.89,;18.9,-37.88,;22.76,-39.23,;23.52,-40.57,;25.06,-40.58,;25.84,-39.25,;25.07,-37.91,;23.53,-37.9,;27.38,-39.25,;28.28,-38.01,;27.81,-36.54,;29.74,-38.49,;31.07,-37.73,;32.4,-38.5,;32.4,-40.05,;31.06,-40.81,;29.73,-40.03,;28.27,-40.5,;27.79,-41.96,)|
BDBM50211307 COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)[N+]([O-])=O |wU:15.19,12.12,(6.24,-24.33,;7.01,-22.99,;6.24,-21.67,;7.01,-20.33,;6.24,-18.99,;4.7,-18.99,;3.93,-20.33,;4.7,-21.67,;3.93,-22.99,;2.59,-22.22,;5.26,-23.76,;3.16,-24.33,;1.62,-24.33,;.85,-25.66,;-.69,-25.66,;-1.46,-24.33,;-.69,-22.99,;.85,-22.99,;-3,-24.33,;-3.78,-25.66,;-5.32,-25.66,;-6.09,-24.33,;-5.32,-22.99,;-3.78,-22.99,;-7.63,-24.33,;-8.4,-25.66,;-9.94,-25.66,;-10.71,-24.33,;-9.94,-22.99,;-8.4,-22.99,;-7.63,-21.67,;-8.4,-20.33,;-7.63,-18.99,;-9.94,-20.33,;3.93,-17.66,;4.7,-16.33,;2.39,-17.66,)|
BDBM50211308 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 |wU:16.17,wD:19.24,(14.19,-37.24,;13.4,-38.56,;11.86,-38.54,;14.15,-39.9,;13.37,-41.23,;11.83,-41.21,;11.04,-42.53,;11.81,-43.88,;13.34,-43.89,;14.12,-42.57,;15.65,-42.59,;16.42,-43.93,;17.96,-43.95,;18.73,-42.62,;17.99,-41.29,;16.45,-41.27,;20.27,-42.65,;21.05,-41.32,;22.6,-41.34,;23.34,-42.69,;22.56,-44.01,;21.02,-43.99,;24.9,-42.72,;25.68,-41.39,;24.35,-40.62,;27.01,-42.16,;26.43,-40.06,;27.98,-40.05,;28.74,-38.71,;27.96,-37.38,;28.72,-36.04,;30.26,-36.02,;31.79,-36.02,;30.25,-34.48,;30.28,-37.56,;26.41,-37.4,;25.66,-38.74,)|
BDBM50211309 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cc(Cl)ccc1F |wU:16.17,19.24,(-10.48,-40.6,;-8.94,-40.62,;-8.15,-39.3,;-8.19,-41.96,;-8.97,-43.29,;-10.51,-43.27,;-11.31,-44.6,;-10.53,-45.95,;-9,-45.96,;-8.22,-44.64,;-6.69,-44.65,;-5.92,-45.99,;-4.38,-46.01,;-3.61,-44.69,;-4.35,-43.35,;-5.89,-43.33,;-2.07,-44.71,;-1.32,-46.06,;.22,-46.08,;1,-44.76,;.26,-43.41,;-1.29,-43.38,;2.56,-44.79,;3.34,-43.46,;2.01,-42.68,;4.67,-44.22,;4.09,-42.12,;3.32,-40.8,;4.07,-39.46,;3.29,-38.13,;5.62,-39.44,;6.41,-40.77,;5.64,-42.11,;6.43,-43.44,)|
BDBM50211310 COc1ccc(OC)c(c1)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:17.21,wD:14.14,(28.05,-2.73,;27.27,-4.09,;28.06,-5.46,;29.59,-5.46,;30.35,-6.78,;29.59,-8.1,;30.36,-9.45,;31.89,-9.45,;28.06,-8.1,;27.31,-6.76,;27.29,-9.44,;25.96,-8.68,;28.64,-10.22,;26.53,-10.77,;24.96,-10.77,;24.2,-9.45,;22.67,-9.43,;21.9,-10.77,;22.66,-12.09,;24.2,-12.09,;20.35,-10.77,;19.58,-12.1,;18.03,-12.1,;17.26,-10.77,;18.04,-9.44,;19.58,-9.44,;15.72,-10.77,;14.94,-12.1,;13.4,-12.1,;12.64,-10.76,;13.4,-9.42,;14.94,-9.42,;15.71,-8.09,;14.95,-6.76,;15.72,-5.41,;13.4,-6.76,)|
BDBM50211311 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(c1)C(F)(F)F |wU:16.17,wD:19.24,(18.87,-4.58,;18.1,-5.92,;16.56,-5.92,;18.87,-7.25,;18.1,-8.58,;16.56,-8.59,;15.79,-9.92,;16.57,-11.26,;18.11,-11.25,;18.87,-9.92,;20.4,-9.92,;21.18,-11.24,;22.72,-11.24,;23.48,-9.91,;22.72,-8.58,;21.18,-8.59,;25.02,-9.91,;25.78,-8.58,;27.33,-8.58,;28.1,-9.92,;27.32,-11.25,;25.79,-11.25,;29.65,-9.93,;30.41,-8.59,;29.07,-7.83,;31.75,-9.34,;31.15,-7.24,;30.36,-5.93,;31.09,-4.58,;32.64,-4.54,;33.44,-5.86,;32.7,-7.21,;34.98,-5.83,;36.51,-5.8,;34.95,-4.29,;35.01,-7.36,)|
BDBM50211312 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 |wU:16.17,19.24,(-7.62,-38.84,;-8.38,-40.15,;-9.91,-40.15,;-7.62,-41.49,;-8.37,-42.79,;-9.92,-42.79,;-10.69,-44.13,;-9.92,-45.47,;-8.38,-45.47,;-7.63,-44.08,;-6.09,-44.08,;-5.33,-45.39,;-3.81,-45.39,;-3.05,-44.07,;-3.82,-42.73,;-5.36,-42.73,;-1.53,-44.07,;-.79,-45.37,;.76,-45.37,;1.54,-44.02,;.76,-42.67,;-.76,-42.72,;3.04,-44.02,;3.81,-42.68,;2.48,-41.92,;5.12,-43.44,;4.58,-41.36,;6.1,-41.36,;6.87,-40.02,;6.1,-38.69,;6.86,-37.37,;8.39,-37.37,;9.91,-37.37,;8.39,-35.86,;8.39,-38.9,;4.54,-38.69,;3.77,-40.03,)|
BDBM50211313 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(C)c(Cl)c1 |wU:16.17,19.24,(-7.03,-29.03,;-7.8,-30.37,;-9.34,-30.37,;-7.03,-31.7,;-7.8,-33.04,;-9.33,-33.04,;-10.11,-34.37,;-9.33,-35.71,;-7.81,-35.71,;-7.03,-34.38,;-5.48,-34.38,;-4.71,-35.71,;-3.17,-35.71,;-2.4,-34.37,;-3.16,-33.05,;-4.7,-33.05,;-.85,-34.37,;-.08,-35.7,;1.45,-35.7,;2.22,-34.37,;1.46,-33.05,;-.08,-33.04,;3.78,-34.37,;4.54,-33.05,;3.21,-32.29,;5.89,-33.82,;5.31,-31.71,;4.55,-30.37,;5.31,-29.04,;6.84,-29.04,;7.62,-27.69,;7.61,-30.37,;9.16,-30.37,;6.84,-31.71,)|
BDBM50211314 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(cc1)S(C)(=O)=O |wU:16.17,wD:19.24,(16.69,-26.8,;15.92,-28.13,;14.38,-28.13,;16.69,-29.47,;15.93,-30.8,;14.37,-30.8,;13.6,-32.14,;14.38,-33.49,;15.93,-33.49,;16.69,-32.12,;18.25,-32.12,;19.01,-33.46,;20.55,-33.46,;21.32,-32.14,;20.55,-30.79,;19,-30.79,;22.85,-32.14,;23.62,-30.81,;25.15,-30.8,;25.93,-32.14,;25.16,-33.47,;23.62,-33.47,;27.47,-32.14,;28.24,-30.81,;26.91,-30.04,;29.57,-31.58,;29.01,-29.47,;30.57,-29.47,;31.33,-28.15,;30.57,-26.83,;29.01,-26.83,;28.25,-28.16,;31.35,-25.49,;32.12,-24.16,;32.69,-26.26,;30.02,-24.72,)|
BDBM50211315 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccnc1 |wU:16.17,19.24,(-6.93,-41.36,;-7.71,-42.69,;-9.25,-42.67,;-6.96,-44.03,;-7.75,-45.36,;-9.29,-45.34,;-10.07,-46.66,;-9.31,-48.01,;-7.77,-48.02,;-6.99,-46.7,;-5.46,-46.72,;-4.7,-48.06,;-3.16,-48.07,;-2.38,-46.75,;-3.13,-45.42,;-4.67,-45.4,;-.85,-46.77,;-.09,-48.12,;1.44,-48.14,;2.23,-46.82,;1.48,-45.47,;-.07,-45.45,;3.79,-46.85,;4.56,-45.52,;3.23,-44.75,;5.89,-46.29,;5.32,-44.18,;4.55,-42.86,;5.3,-41.53,;6.85,-41.51,;7.63,-42.84,;6.87,-44.17,)|
BDBM50211316 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1F |wU:16.17,19.24,(16.96,-18.35,;16.18,-19.68,;14.64,-19.66,;16.93,-21.02,;16.14,-22.34,;14.61,-22.32,;13.82,-23.65,;14.58,-25,;16.12,-25.01,;16.9,-23.69,;18.43,-23.7,;19.19,-25.04,;20.73,-25.06,;21.51,-23.74,;20.76,-22.4,;19.22,-22.38,;23.04,-23.76,;23.8,-25.11,;25.33,-25.13,;26.12,-23.81,;25.37,-22.46,;23.83,-22.44,;27.68,-23.84,;28.45,-22.51,;27.12,-21.74,;29.78,-23.28,;29.21,-21.17,;28.44,-19.85,;29.19,-18.51,;30.74,-18.49,;31.52,-19.82,;30.76,-21.16,;31.54,-22.49,)|
BDBM50211317 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1 |wU:16.17,19.24,(15.71,5.56,;14.93,4.23,;13.39,4.25,;15.68,2.89,;14.89,1.57,;13.35,1.58,;12.57,.26,;13.33,-1.09,;14.87,-1.1,;15.65,.22,;17.18,.2,;17.94,-1.14,;19.48,-1.15,;20.26,.17,;19.51,1.5,;17.97,1.52,;21.79,.15,;22.55,-1.2,;24.08,-1.22,;24.87,.1,;24.12,1.45,;22.58,1.47,;26.43,.07,;27.2,1.4,;25.87,2.17,;28.53,.63,;27.96,2.74,;29.51,2.75,;30.27,4.08,;29.49,5.41,;27.94,5.4,;27.19,4.06,)|
BDBM50211318 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(Cl)c1F |wU:16.17,wD:19.24,(16.9,6.91,;16.13,5.58,;14.59,5.58,;16.91,4.24,;16.14,2.92,;14.6,2.9,;13.84,1.56,;14.63,.22,;16.16,.24,;16.92,1.58,;18.46,1.58,;19.24,.27,;20.78,.28,;21.54,1.63,;20.77,2.94,;19.23,2.93,;23.08,1.63,;23.84,2.97,;25.38,2.97,;26.16,1.64,;25.39,.31,;23.86,.3,;27.7,1.64,;28.47,2.98,;27.13,3.75,;29.8,2.21,;29.24,4.31,;28.44,5.68,;29.23,7,;30.78,6.98,;31.53,5.64,;33.07,5.64,;30.75,4.31,;31.52,2.98,)|
BDBM50211319 COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,wD:13.13,(32.51,-20.49,;30.97,-20.49,;30.2,-19.15,;30.97,-17.83,;30.2,-16.49,;28.66,-16.49,;27.89,-15.15,;27.89,-17.83,;28.66,-19.15,;27.89,-20.49,;26.56,-19.72,;29.22,-21.26,;27.12,-21.83,;25.58,-21.83,;24.81,-20.49,;23.27,-20.49,;22.5,-21.83,;23.27,-23.15,;24.81,-23.15,;20.96,-21.83,;20.19,-23.15,;18.65,-23.15,;17.88,-21.83,;18.65,-20.49,;20.19,-20.49,;16.34,-21.83,;15.57,-23.15,;14.03,-23.15,;13.26,-21.83,;14.03,-20.49,;15.57,-20.49,;16.34,-19.15,;15.57,-17.83,;16.34,-16.49,;14.03,-17.83,)|
BDBM50211320 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1C#N |wU:16.17,wD:19.24,(-5.68,-16.28,;-6.46,-17.61,;-8,-17.59,;-5.71,-18.95,;-6.5,-20.27,;-8.03,-20.26,;-8.82,-21.58,;-8.06,-22.93,;-6.52,-22.94,;-5.74,-21.62,;-4.21,-21.64,;-3.45,-22.98,;-1.91,-22.99,;-1.13,-21.67,;-1.88,-20.34,;-3.42,-20.32,;.41,-21.69,;1.19,-20.37,;2.73,-20.39,;3.48,-21.74,;2.69,-23.06,;1.16,-23.04,;5.04,-21.77,;5.81,-20.44,;4.48,-19.67,;7.14,-21.21,;6.57,-19.1,;5.8,-17.78,;6.55,-16.44,;8.1,-16.43,;8.88,-17.76,;8.12,-19.09,;8.9,-20.42,;9.68,-21.75,)|
BDBM50211321 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccnc1 |wU:16.17,wD:19.24,(17.84,-39.62,;17.05,-40.94,;15.51,-40.92,;17.8,-42.28,;17.02,-43.61,;15.48,-43.59,;14.69,-44.92,;15.45,-46.26,;16.99,-46.27,;17.77,-44.95,;19.3,-44.97,;20.06,-46.31,;21.6,-46.33,;22.38,-45.01,;21.63,-43.67,;20.09,-43.65,;23.92,-45.03,;24.7,-43.7,;26.24,-43.73,;27,-45.07,;26.2,-46.39,;24.67,-46.37,;28.55,-45.11,;29.33,-43.78,;27.99,-43,;30.65,-44.54,;30.08,-42.44,;29.31,-41.12,;30.06,-39.78,;31.61,-39.76,;32.39,-41.09,;31.63,-42.43,)|
BDBM50211322 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:17.21,14.14,(9.45,6.98,;7.93,6.98,;7.17,5.66,;5.62,5.66,;4.85,4.32,;5.62,3,;7.17,3,;7.93,4.32,;9.48,4.32,;10.24,3,;4.85,1.66,;3.52,2.44,;6.19,.9,;4.08,.34,;2.54,.34,;1.78,-.99,;.24,-.99,;-.52,.34,;.24,1.67,;1.77,1.67,;-2.05,.34,;-2.82,-.99,;-4.36,-.99,;-5.12,.35,;-4.36,1.67,;-2.82,1.67,;-6.67,.35,;-7.43,-1.02,;-8.98,-1.02,;-9.75,.33,;-8.98,1.67,;-7.43,1.67,;-6.67,3,;-7.44,4.33,;-6.67,5.67,;-8.98,4.33,)|
BDBM50211323 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(C)c(Cl)c1 |wU:16.17,wD:19.24,(14.8,-27.45,;14.03,-28.79,;12.49,-28.79,;14.8,-30.12,;14.03,-31.47,;12.49,-31.47,;11.72,-32.8,;12.5,-34.13,;14.02,-34.13,;14.8,-32.8,;16.35,-32.8,;17.11,-34.13,;18.66,-34.13,;19.43,-32.8,;18.67,-31.47,;17.13,-31.47,;20.98,-32.8,;21.75,-31.46,;23.29,-31.47,;24.05,-32.8,;23.28,-34.13,;21.75,-34.13,;25.61,-32.8,;26.37,-31.47,;25.04,-30.71,;27.72,-32.25,;27.14,-30.14,;26.38,-28.79,;27.14,-27.47,;28.67,-27.47,;29.45,-26.11,;29.44,-28.79,;30.99,-28.79,;28.67,-30.14,)|
BDBM50211324 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:17.21,wD:14.14,(31.27,8.11,;29.75,8.11,;28.99,6.78,;27.44,6.78,;26.67,5.44,;27.44,4.11,;28.99,4.11,;29.75,5.44,;31.3,5.44,;32.06,4.12,;26.67,2.78,;25.34,3.55,;28,2.02,;25.9,1.46,;24.36,1.46,;23.59,2.79,;22.06,2.78,;21.29,1.46,;22.06,.13,;23.6,.13,;19.77,1.46,;19,.13,;17.46,.13,;16.69,1.46,;17.45,2.79,;19,2.79,;15.15,1.46,;14.39,.1,;12.84,.1,;12.07,1.45,;12.83,2.79,;14.38,2.79,;15.15,4.11,;14.38,5.45,;15.14,6.78,;12.84,5.45,)|
BDBM50211325 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1 |wU:16.17,19.24,(-6.69,-15.88,;-7.46,-17.21,;-9,-17.22,;-6.68,-18.54,;-7.45,-19.88,;-8.99,-19.89,;-9.75,-21.22,;-8.97,-22.56,;-7.43,-22.55,;-6.67,-21.21,;-5.14,-21.21,;-4.36,-22.53,;-2.82,-22.53,;-2.06,-21.19,;-2.83,-19.87,;-4.37,-19.87,;-.52,-21.19,;.25,-22.52,;1.78,-22.52,;2.55,-21.19,;1.78,-19.85,;.24,-19.85,;4.11,-21.2,;4.86,-19.85,;3.52,-19.1,;6.2,-20.6,;5.6,-18.5,;7.15,-18.47,;7.89,-17.12,;7.08,-15.8,;7.82,-14.45,;5.54,-15.84,;4.81,-17.19,)|
BDBM50211326 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC1CC1 |wU:17.21,14.14,(8.73,5.18,;7.19,5.17,;6.43,3.83,;4.89,3.81,;4.14,2.47,;4.91,1.15,;6.46,1.16,;7.22,2.5,;8.76,2.51,;9.54,1.18,;4.15,-.19,;2.82,.59,;5.48,-.96,;3.37,-1.52,;1.82,-1.49,;1.03,-2.81,;-.51,-2.79,;-1.26,-1.44,;-.48,-.12,;1.07,-.14,;-2.8,-1.42,;-3.57,-2.74,;-5.11,-2.72,;-5.88,-1.38,;-5.08,-.06,;-3.54,-.08,;-7.41,-1.37,;-8.19,-2.69,;-9.72,-2.68,;-10.49,-1.33,;-9.7,-0,;-8.16,-.02,;-7.37,1.3,;-8.13,2.65,;-7.34,3.97,;-5.99,4.72,;-7.31,5.5,)|
BDBM50211327 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1F |wU:16.17,19.24,(-9.41,-5.91,;-10.19,-7.23,;-11.73,-7.21,;-9.44,-8.57,;-10.23,-9.9,;-11.76,-9.88,;-12.57,-11.21,;-11.8,-12.55,;-10.25,-12.57,;-9.48,-11.24,;-7.95,-11.26,;-7.18,-12.6,;-5.64,-12.62,;-4.87,-11.3,;-5.61,-9.96,;-7.15,-9.94,;-3.33,-11.32,;-2.58,-12.66,;-1.04,-12.69,;-.26,-11.36,;-1,-10.02,;-2.55,-9.99,;1.3,-11.4,;2.08,-10.07,;.74,-9.29,;3.4,-10.83,;2.83,-8.72,;2.06,-7.41,;2.81,-6.07,;4.36,-6.05,;5.12,-4.71,;5.14,-7.38,;4.38,-8.72,;5.16,-10.05,)|
BDBM50211328 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(F)c1 |wU:16.17,wD:19.24,(21.3,5.8,;20.52,4.47,;18.98,4.49,;21.27,3.13,;20.48,1.81,;18.95,1.82,;18.16,.5,;18.92,-.85,;20.46,-.86,;21.24,.46,;22.77,.44,;23.53,-.89,;25.07,-.91,;25.85,.41,;25.1,1.75,;23.56,1.76,;27.38,.39,;28.17,1.71,;29.71,1.69,;30.46,.34,;29.67,-.98,;28.14,-.96,;32.02,.31,;32.79,1.64,;31.46,2.41,;34.12,.87,;33.55,2.98,;32.78,4.3,;33.53,5.64,;35.08,5.65,;35.86,4.33,;37.4,4.34,;35.1,2.99,)|
BDBM50211329 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)Cc1ccccc1 |wU:16.17,19.24,(-7.57,-30.94,;-8.35,-32.26,;-9.89,-32.24,;-7.6,-33.6,;-8.39,-34.93,;-9.92,-34.91,;-10.71,-36.24,;-9.95,-37.58,;-8.41,-37.59,;-7.63,-36.27,;-6.1,-36.29,;-5.34,-37.63,;-3.8,-37.65,;-3.02,-36.33,;-3.77,-34.99,;-5.31,-34.97,;-1.48,-36.35,;-.73,-37.69,;.8,-37.71,;1.59,-36.39,;.84,-35.05,;-.7,-35.02,;3.15,-36.43,;3.92,-35.1,;2.59,-34.32,;5.25,-35.86,;4.68,-33.76,;6.22,-33.74,;7,-35.07,;8.54,-35.06,;9.3,-33.72,;8.51,-32.39,;6.97,-32.41,)|
BDBM50211330 COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(7.58,-42.99,;8.35,-41.66,;7.58,-40.32,;8.35,-38.99,;7.58,-37.66,;6.04,-37.66,;5.27,-36.32,;5.27,-38.99,;6.04,-40.32,;5.27,-41.66,;3.94,-40.89,;6.6,-42.43,;4.5,-42.99,;2.96,-42.99,;2.19,-44.32,;.65,-44.32,;-.12,-42.99,;.65,-41.66,;2.19,-41.66,;-1.66,-42.99,;-2.44,-44.32,;-3.98,-44.32,;-4.75,-42.99,;-3.98,-41.66,;-2.44,-41.66,;-6.29,-42.99,;-7.06,-44.32,;-8.6,-44.32,;-9.37,-42.99,;-8.6,-41.66,;-7.06,-41.66,;-6.29,-40.32,;-7.06,-38.99,;-6.29,-37.66,;-8.6,-38.99,)|
BDBM50211331 Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC1CC1 |wU:15.19,12.12,(6.61,-24.75,;5.83,-23.42,;6.59,-22.08,;5.8,-20.75,;4.26,-20.77,;3.47,-19.44,;3.51,-22.11,;4.28,-23.43,;3.52,-24.77,;2.19,-23.99,;4.85,-25.53,;2.74,-26.1,;1.19,-26.06,;.4,-27.39,;-1.14,-27.36,;-1.89,-26.02,;-1.11,-24.69,;.44,-24.72,;-3.43,-26,;-4.2,-27.32,;-5.74,-27.3,;-6.51,-25.96,;-5.71,-24.64,;-4.17,-24.66,;-8.04,-25.94,;-8.82,-27.27,;-10.35,-27.25,;-11.12,-25.91,;-10.33,-24.58,;-8.79,-24.6,;-8,-23.28,;-8.76,-21.93,;-7.97,-20.61,;-6.62,-19.85,;-7.94,-19.07,)|
BDBM50211332 COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC1CC1 |wU:16.20,13.13,(5.81,-13.89,;6.57,-12.55,;5.79,-11.22,;6.55,-9.88,;5.77,-8.56,;4.22,-8.57,;3.43,-7.25,;3.47,-9.91,;4.24,-11.23,;3.48,-12.57,;2.15,-11.8,;4.81,-13.34,;2.71,-13.9,;1.15,-13.87,;.36,-15.19,;-1.18,-15.17,;-1.93,-13.82,;-1.15,-12.5,;.4,-12.52,;-3.46,-13.8,;-4.24,-15.12,;-5.78,-15.1,;-6.54,-13.77,;-5.75,-12.45,;-4.21,-12.46,;-8.08,-13.75,;-8.86,-15.07,;-10.39,-15.06,;-11.15,-13.71,;-10.37,-12.39,;-8.83,-12.4,;-8.04,-11.08,;-8.8,-9.74,;-8.01,-8.41,;-6.66,-7.66,;-7.98,-6.88,)|
BDBM50211333 COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(9.38,-31.96,;7.85,-31.96,;7.07,-30.62,;7.83,-29.29,;7.07,-27.96,;5.53,-27.96,;4.75,-26.6,;4.78,-29.27,;5.54,-30.62,;4.77,-31.96,;3.44,-31.19,;6.11,-32.74,;4,-33.28,;2.44,-33.28,;1.67,-34.61,;.15,-34.61,;-.63,-33.28,;.15,-31.94,;1.68,-31.96,;-2.17,-33.28,;-2.94,-34.61,;-4.48,-34.61,;-5.26,-33.29,;-4.47,-31.95,;-2.93,-31.95,;-6.8,-33.29,;-7.57,-34.61,;-9.11,-34.61,;-9.88,-33.28,;-9.11,-31.94,;-7.57,-31.94,;-6.8,-30.6,;-7.58,-29.27,;-6.8,-27.93,;-9.11,-29.27,)|
BDBM50211334 COc1ccc(OC)c(c1)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:17.21,14.14,(5.06,-2.44,;4.28,-3.8,;5.06,-5.16,;6.59,-5.16,;7.36,-6.49,;6.59,-7.81,;7.37,-9.16,;8.89,-9.16,;5.07,-7.81,;4.31,-6.47,;4.3,-9.14,;2.97,-8.38,;5.64,-9.92,;3.53,-10.47,;1.97,-10.47,;1.2,-11.8,;-.33,-11.8,;-1.1,-10.47,;-.33,-9.13,;1.2,-9.15,;-2.65,-10.47,;-3.42,-11.81,;-4.96,-11.81,;-5.74,-10.47,;-4.96,-9.15,;-3.41,-9.15,;-7.28,-10.47,;-8.06,-11.8,;-9.59,-11.8,;-10.36,-10.47,;-9.59,-9.13,;-8.05,-9.13,;-7.28,-7.79,;-8.05,-6.46,;-7.28,-5.12,;-9.6,-6.46,)|
BDBM50211335 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1F |wU:16.17,wD:19.24,(14.29,-4.12,;13.51,-5.45,;11.97,-5.43,;14.26,-6.79,;13.48,-8.12,;11.94,-8.1,;11.15,-9.42,;11.92,-10.77,;13.45,-10.78,;14.23,-9.46,;15.76,-9.48,;16.53,-10.82,;18.06,-10.84,;18.84,-9.51,;18.1,-8.18,;16.56,-8.16,;20.38,-9.54,;21.16,-8.21,;22.7,-8.23,;23.45,-9.58,;22.66,-10.9,;21.13,-10.88,;25.01,-9.61,;25.79,-8.28,;24.46,-7.5,;27.11,-9.05,;26.54,-6.94,;25.77,-5.62,;26.52,-4.28,;28.07,-4.26,;28.83,-2.92,;28.85,-5.59,;28.09,-6.93,;28.87,-8.26,)|
BDBM50211336 COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)[N+]([O-])=O |wU:15.19,wD:12.12,(29.55,-22.35,;30.32,-21.01,;29.55,-19.68,;30.32,-18.35,;29.55,-17.01,;28.01,-17.01,;27.24,-18.35,;28.01,-19.68,;27.24,-21.01,;25.9,-20.24,;28.57,-21.78,;26.47,-22.35,;24.93,-22.35,;24.16,-21.01,;22.62,-21.01,;21.85,-22.35,;22.62,-23.68,;24.16,-23.68,;20.31,-22.35,;19.53,-23.68,;17.99,-23.68,;17.22,-22.35,;17.99,-21.01,;19.53,-21.01,;15.68,-22.35,;14.91,-23.68,;13.37,-23.68,;12.6,-22.35,;13.37,-21.01,;14.91,-21.01,;15.68,-19.68,;14.91,-18.35,;15.68,-17.01,;13.37,-18.35,;27.24,-15.67,;28.01,-14.35,;25.7,-15.67,)|
BDBM50211337 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)Cc1ccccc1 |wU:16.17,wD:19.24,(15.59,-29.47,;14.8,-30.79,;13.26,-30.77,;15.56,-32.13,;14.77,-33.46,;13.23,-33.44,;12.44,-34.77,;13.21,-36.11,;14.74,-36.12,;15.52,-34.8,;17.05,-34.82,;17.82,-36.16,;19.36,-36.18,;20.13,-34.86,;19.39,-33.52,;17.85,-33.5,;21.67,-34.88,;22.45,-33.55,;24,-33.58,;24.75,-34.92,;23.96,-36.24,;22.42,-36.22,;26.3,-34.96,;27.08,-33.63,;25.75,-32.85,;28.4,-34.39,;27.84,-32.29,;29.38,-32.27,;30.15,-33.6,;31.69,-33.59,;32.45,-32.25,;31.66,-30.92,;30.13,-30.94,)|
BDBM50211338 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1C#N |wU:16.17,19.24,(16.79,-6.82,;16.01,-8.14,;14.47,-8.12,;16.76,-9.49,;15.97,-10.81,;14.44,-10.79,;13.65,-12.12,;14.41,-13.46,;15.95,-13.48,;16.73,-12.15,;18.26,-12.17,;19.02,-13.51,;20.56,-13.53,;21.34,-12.21,;20.59,-10.87,;19.05,-10.85,;22.88,-12.23,;23.63,-13.57,;25.16,-13.6,;25.95,-12.27,;25.2,-10.93,;23.66,-10.9,;27.51,-12.31,;28.28,-10.98,;26.95,-10.2,;29.61,-11.74,;29.04,-9.64,;28.27,-8.32,;29.02,-6.98,;30.57,-6.96,;31.35,-8.29,;30.59,-9.63,;31.37,-10.95,;32.15,-12.28,)|
BDBM50211339 COc1ccncc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:15.19,wD:12.12,(27.63,5.59,;28.41,4.27,;29.95,4.28,;30.7,5.62,;32.25,5.64,;33.03,4.31,;32.27,2.97,;30.72,2.96,;29.96,1.62,;28.63,2.4,;31.29,.86,;29.19,.29,;27.63,.33,;26.88,1.67,;25.34,1.7,;24.56,.37,;25.31,-.97,;26.84,-1,;23.02,.39,;22.24,-.93,;20.7,-.91,;19.94,.43,;20.73,1.75,;22.27,1.73,;18.41,.45,;17.63,-.88,;16.09,-.86,;15.33,.48,;16.12,1.81,;17.65,1.79,;18.44,3.11,;17.69,4.46,;18.47,5.78,;16.15,4.48,)|
BDBM50211340 COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,wD:13.13,(30.36,-41.07,;31.13,-39.74,;30.36,-38.4,;31.13,-37.07,;30.36,-35.74,;28.82,-35.74,;28.05,-34.4,;28.05,-37.07,;28.82,-38.4,;28.05,-39.74,;26.72,-38.97,;29.38,-40.51,;27.28,-41.07,;25.74,-41.07,;24.97,-39.74,;23.43,-39.74,;22.66,-41.07,;23.43,-42.4,;24.97,-42.4,;21.12,-41.07,;20.35,-42.4,;18.81,-42.4,;18.04,-41.07,;18.81,-39.74,;20.35,-39.74,;16.5,-41.07,;15.73,-42.4,;14.19,-42.4,;13.42,-41.07,;14.19,-39.74,;15.73,-39.74,;16.5,-38.4,;15.73,-37.07,;16.5,-35.74,;14.19,-37.07,)|
BDBM50211341 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cnc(Cl)c(Br)c1 |wU:16.17,19.24,(-7.75,-8.21,;-8.54,-9.53,;-10.08,-9.51,;-7.79,-10.88,;-8.57,-12.2,;-10.11,-12.18,;-10.9,-13.51,;-10.14,-14.86,;-8.6,-14.87,;-7.82,-13.55,;-6.29,-13.56,;-5.53,-14.9,;-3.99,-14.92,;-3.21,-13.6,;-3.95,-12.26,;-5.49,-12.24,;-1.67,-13.62,;-.92,-14.97,;.61,-14.99,;1.41,-13.67,;.65,-12.32,;-.89,-12.3,;2.96,-13.7,;3.74,-12.37,;2.41,-11.59,;5.06,-13.14,;4.5,-11.03,;6.05,-11.02,;6.8,-9.68,;6.02,-8.35,;6.78,-7.01,;4.47,-8.37,;3.69,-7.05,;3.72,-9.71,)|
BDBM50211342 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1Cl |wU:16.17,19.24,(-7.91,-40.14,;-8.67,-41.47,;-10.21,-41.47,;-7.91,-42.8,;-8.67,-44.13,;-10.21,-44.13,;-10.98,-45.46,;-10.21,-46.8,;-8.67,-46.8,;-7.91,-45.46,;-6.37,-45.46,;-5.6,-46.8,;-4.06,-46.8,;-3.29,-45.46,;-4.06,-44.13,;-5.6,-44.13,;-1.75,-45.46,;-.99,-46.8,;.55,-46.8,;1.32,-45.46,;.55,-44.13,;-.99,-44.13,;2.86,-45.46,;3.63,-44.13,;2.3,-43.37,;4.95,-44.91,;4.39,-42.8,;3.63,-41.47,;4.39,-40.14,;5.93,-40.14,;6.7,-38.81,;6.7,-41.47,;5.93,-42.8,;6.7,-44.13,)|
BDBM50211343 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(F)c1 |wU:16.17,19.24,(-6.39,4.8,;-7.18,3.48,;-8.72,3.5,;-6.42,2.13,;-7.21,.81,;-8.75,.83,;-9.53,-.5,;-8.77,-1.84,;-7.24,-1.85,;-6.46,-.53,;-4.93,-.55,;-4.16,-1.89,;-2.62,-1.91,;-1.85,-.59,;-2.59,.75,;-4.13,.77,;-.31,-.61,;.44,-1.95,;1.97,-1.98,;2.77,-.65,;2.01,.69,;.47,.72,;4.32,-.69,;5.1,.64,;3.77,1.42,;6.42,-.12,;5.86,1.98,;5.08,3.3,;5.83,4.64,;7.38,4.66,;8.16,3.33,;9.7,3.34,;7.4,1.99,)|
BDBM50211344 COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(9.34,-21.24,;7.8,-21.24,;7.03,-19.9,;7.8,-18.57,;7.03,-17.24,;5.49,-17.24,;4.72,-15.9,;4.72,-18.57,;5.49,-19.9,;4.72,-21.24,;3.39,-20.47,;6.05,-22.01,;3.95,-22.57,;2.41,-22.57,;1.64,-23.9,;.1,-23.9,;-.67,-22.57,;.1,-21.24,;1.64,-21.24,;-2.21,-22.57,;-2.98,-23.9,;-4.52,-23.9,;-5.29,-22.57,;-4.52,-21.24,;-2.98,-21.24,;-6.83,-22.57,;-7.6,-23.9,;-9.14,-23.9,;-9.91,-22.57,;-9.14,-21.24,;-7.6,-21.24,;-6.83,-19.9,;-7.6,-18.57,;-6.83,-17.24,;-9.14,-18.57,)|
BDBM50211345 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1[N+]([O-])=O |wU:16.17,wD:19.24,(-5.99,-39.63,;-6.77,-40.96,;-8.31,-40.94,;-6.02,-42.3,;-6.81,-43.62,;-8.35,-43.61,;-9.13,-44.93,;-8.37,-46.28,;-6.83,-46.29,;-6.05,-44.97,;-4.52,-44.99,;-3.76,-46.32,;-2.22,-46.34,;-1.44,-45.02,;-2.19,-43.68,;-3.73,-43.67,;.09,-45.04,;.88,-43.72,;2.42,-43.74,;3.17,-45.09,;2.38,-46.41,;.85,-46.39,;4.73,-45.12,;5.5,-43.79,;4.17,-43.02,;6.83,-44.56,;6.26,-42.45,;5.49,-41.13,;6.24,-39.79,;7.79,-39.78,;8.57,-41.1,;7.81,-42.44,;8.59,-43.78,;7.83,-45.12,;10.13,-43.77,)|
BDBM50211346 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1 |wU:16.17,wD:19.24,(16.2,-15.13,;15.43,-16.47,;13.89,-16.47,;16.21,-17.8,;15.44,-19.13,;13.9,-19.14,;13.14,-20.48,;13.92,-21.81,;15.46,-21.8,;16.22,-20.47,;17.75,-20.46,;18.53,-21.79,;20.07,-21.78,;20.83,-20.45,;20.06,-19.12,;18.52,-19.13,;22.37,-20.44,;23.13,-19.11,;24.67,-19.11,;25.44,-20.44,;24.67,-21.77,;23.14,-21.78,;27,-20.45,;27.75,-19.11,;26.41,-18.35,;29.09,-19.85,;28.49,-17.75,;30.04,-17.72,;30.78,-16.37,;29.97,-15.05,;30.71,-13.7,;28.43,-15.1,;27.7,-16.45,)|
BDBM50211347 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cnc(Cl)c(Br)c1 |wU:16.17,wD:19.24,(15.77,-6.17,;14.99,-7.5,;13.45,-7.48,;15.74,-8.84,;14.95,-10.16,;13.42,-10.14,;12.63,-11.47,;13.39,-12.82,;14.93,-12.83,;15.71,-11.51,;17.24,-11.53,;18,-12.86,;19.54,-12.88,;20.32,-11.56,;19.57,-10.22,;18.03,-10.21,;21.85,-11.58,;22.64,-10.26,;24.18,-10.28,;24.93,-11.63,;24.14,-12.95,;22.61,-12.93,;26.49,-11.66,;27.26,-10.33,;25.93,-9.56,;28.59,-11.1,;28.02,-8.99,;29.57,-8.98,;30.33,-7.64,;29.55,-6.32,;30.31,-4.97,;28,-6.33,;27.21,-5.01,;27.25,-7.67,)|
BDBM50211348 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1Cl |wU:16.17,wD:19.24,(14.12,-38.4,;13.35,-39.73,;11.81,-39.73,;14.12,-41.06,;13.35,-42.39,;11.81,-42.39,;11.05,-43.72,;11.81,-45.06,;13.35,-45.06,;14.12,-43.72,;15.66,-43.72,;16.43,-45.06,;17.97,-45.06,;18.73,-43.72,;17.97,-42.39,;16.43,-42.39,;20.27,-43.72,;21.04,-42.39,;22.58,-42.39,;23.34,-43.72,;22.58,-45.06,;21.04,-45.06,;24.88,-43.72,;25.65,-42.39,;24.32,-41.62,;26.98,-43.17,;26.42,-41.06,;25.65,-39.73,;26.42,-38.4,;27.96,-38.4,;28.72,-37.06,;28.72,-39.73,;27.96,-41.06,;28.72,-42.39,)|
BDBM50211349 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1[N+]([O-])=O |wU:16.17,19.24,(17.2,-32,;16.41,-33.32,;14.87,-33.3,;17.16,-34.67,;16.38,-35.99,;14.84,-35.97,;14.05,-37.3,;14.81,-38.65,;16.35,-38.66,;17.13,-37.34,;18.66,-37.35,;19.42,-38.69,;20.96,-38.71,;21.74,-37.39,;20.99,-36.05,;19.45,-36.03,;23.28,-37.41,;24.03,-38.76,;25.56,-38.78,;26.36,-37.46,;25.6,-36.11,;24.06,-36.09,;27.91,-37.49,;28.69,-36.16,;27.36,-35.38,;30.01,-36.93,;29.44,-34.82,;28.67,-33.5,;29.42,-32.16,;30.97,-32.14,;31.75,-33.47,;30.99,-34.81,;31.78,-36.15,;31.02,-37.48,;33.32,-36.14,)|
BDBM50211350 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1F |wU:16.17,wD:19.24,(-6.34,-28.26,;-7.12,-29.59,;-8.66,-29.57,;-6.37,-30.93,;-7.16,-32.25,;-8.7,-32.23,;-9.48,-33.56,;-8.72,-34.91,;-7.18,-34.92,;-6.4,-33.6,;-4.87,-33.62,;-4.11,-34.95,;-2.57,-34.97,;-1.79,-33.65,;-2.54,-32.31,;-4.08,-32.3,;-.26,-33.67,;.53,-32.35,;2.07,-32.37,;2.82,-33.72,;2.03,-35.04,;.5,-35.02,;4.38,-33.75,;5.15,-32.42,;3.82,-31.65,;6.48,-33.19,;5.91,-31.08,;5.14,-29.76,;5.89,-28.42,;7.44,-28.4,;8.22,-29.73,;7.46,-31.07,;8.24,-32.4,)|
BDBM50211351 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1 |wU:16.17,wD:19.24,(-5.19,-4.99,;-5.98,-6.31,;-7.52,-6.29,;-5.23,-7.66,;-6.01,-8.98,;-7.55,-8.96,;-8.34,-10.29,;-7.58,-11.64,;-6.04,-11.65,;-5.26,-10.33,;-3.73,-10.34,;-2.97,-11.68,;-1.43,-11.7,;-.65,-10.38,;-1.4,-9.04,;-2.94,-9.02,;.89,-10.4,;1.67,-9.08,;3.21,-9.1,;3.97,-10.45,;3.17,-11.77,;1.64,-11.75,;5.52,-10.48,;6.3,-9.15,;4.96,-8.37,;7.62,-9.92,;7.05,-7.81,;8.6,-7.8,;9.36,-6.46,;8.58,-5.13,;7.03,-5.15,;6.28,-6.49,)|
BDBM50211352 COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,wD:13.13,(30.24,-.06,;31.01,1.28,;30.24,2.61,;31.01,3.95,;30.24,5.28,;28.7,5.28,;27.93,6.61,;27.93,3.95,;28.7,2.61,;27.93,1.28,;26.59,2.05,;29.26,.51,;27.16,-.06,;25.62,-.06,;24.85,1.28,;23.31,1.28,;22.54,-.06,;23.31,-1.39,;24.85,-1.39,;21,-.06,;20.22,-1.39,;18.68,-1.39,;17.91,-.06,;18.68,1.28,;20.22,1.28,;16.37,-.06,;15.6,-1.39,;14.06,-1.39,;13.29,-.06,;14.06,1.28,;15.6,1.28,;16.37,2.61,;15.6,3.95,;16.37,5.28,;14.06,3.95,)|
BDBM50211353 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(cc1)S(C)(=O)=O |wU:16.17,19.24,(-6.29,-27.2,;-7.06,-28.53,;-8.6,-28.53,;-6.29,-29.86,;-7.05,-31.19,;-8.6,-31.19,;-9.38,-32.53,;-8.6,-33.89,;-7.04,-33.89,;-6.29,-32.52,;-4.73,-32.52,;-3.96,-33.86,;-2.42,-33.86,;-1.65,-32.54,;-2.43,-31.19,;-3.98,-31.19,;-.13,-32.54,;.64,-33.87,;2.18,-33.87,;2.96,-32.54,;2.17,-31.19,;.64,-31.2,;4.49,-32.54,;5.26,-31.21,;3.93,-30.44,;6.6,-31.98,;6.03,-29.87,;7.59,-29.87,;8.36,-28.55,;7.59,-27.23,;6.03,-27.23,;5.27,-28.55,;8.37,-25.89,;9.14,-24.55,;9.71,-26.66,;7.05,-25.12,)|
BDBM50211354 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(Cl)c1F |wU:16.17,19.24,(-6.28,4.98,;-7.04,3.64,;-8.59,3.64,;-6.27,2.31,;-7.04,.98,;-8.58,.96,;-9.34,-.38,;-8.55,-1.71,;-7.02,-1.7,;-6.26,-.35,;-4.72,-.35,;-3.93,-1.67,;-2.39,-1.66,;-1.64,-.31,;-2.41,1,;-3.95,.99,;-.1,-.31,;.68,-1.64,;2.21,-1.63,;2.98,-.29,;2.21,1.03,;.66,1.03,;4.52,-.29,;5.29,1.04,;3.95,1.81,;6.62,.27,;6.06,2.37,;5.27,3.74,;6.05,5.07,;7.6,5.05,;8.35,3.71,;9.89,3.71,;7.57,2.38,;8.34,1.04,)|
BDBM50211355 COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)C(F)(F)F |wU:15.19,12.12,(7.8,-11.98,;8.57,-10.64,;7.8,-9.3,;8.57,-7.97,;7.8,-6.63,;6.26,-6.63,;5.49,-7.97,;6.26,-9.3,;5.49,-10.64,;4.15,-9.87,;6.82,-11.41,;4.72,-11.98,;3.17,-11.98,;2.41,-13.31,;.86,-13.31,;.09,-11.98,;.86,-10.64,;2.41,-10.64,;-1.45,-11.98,;-2.22,-13.31,;-3.77,-13.31,;-4.54,-11.98,;-3.77,-10.64,;-2.22,-10.64,;-6.08,-11.98,;-6.85,-13.31,;-8.4,-13.31,;-9.16,-11.98,;-8.4,-10.64,;-6.85,-10.64,;-6.08,-9.3,;-6.85,-7.97,;-6.08,-6.63,;-8.4,-7.97,;5.49,-5.3,;4.72,-3.96,;4.15,-6.07,;6.82,-4.52,)|
BDBM50211356 COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(6.82,.34,;7.59,1.68,;6.82,3.02,;7.59,4.35,;6.82,5.68,;5.28,5.68,;4.51,7.02,;4.51,4.35,;5.28,3.02,;4.51,1.68,;3.17,2.45,;5.84,.91,;3.74,.34,;2.2,.34,;1.43,-.98,;-.11,-.98,;-.88,.34,;-.11,1.68,;1.43,1.68,;-2.42,.34,;-3.2,-.98,;-4.74,-.98,;-5.51,.34,;-4.74,1.68,;-3.2,1.68,;-7.05,.34,;-7.82,-.98,;-9.36,-.98,;-10.13,.34,;-9.36,1.68,;-7.82,1.68,;-7.05,3.02,;-7.82,4.35,;-7.05,5.68,;-9.36,4.35,)|
BDBM50211357 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(c1)C(F)(F)F |wU:16.17,19.24,(-7.37,-6.15,;-8.14,-7.48,;-9.68,-7.48,;-7.37,-8.81,;-8.14,-10.15,;-9.67,-10.15,;-10.44,-11.49,;-9.66,-12.82,;-8.13,-12.81,;-7.36,-11.48,;-5.83,-11.48,;-5.05,-12.81,;-3.51,-12.8,;-2.75,-11.47,;-3.52,-10.15,;-5.06,-10.15,;-1.22,-11.47,;-.45,-12.81,;1.09,-12.81,;1.86,-11.48,;1.09,-10.14,;-.45,-10.14,;3.42,-11.49,;4.18,-10.15,;2.83,-9.39,;5.51,-10.9,;4.92,-8.8,;4.13,-7.49,;4.86,-6.14,;6.41,-6.1,;7.21,-7.42,;6.47,-8.77,;8.75,-7.39,;10.28,-7.37,;8.72,-5.85,;8.78,-8.93,)|
BDBM50211358 COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)C(F)(F)F |wU:15.19,wD:12.12,(30.26,-10.98,;31.03,-9.65,;30.26,-8.31,;31.03,-6.97,;30.26,-5.64,;28.72,-5.64,;27.95,-6.97,;28.72,-8.31,;27.95,-9.65,;26.6,-8.87,;29.28,-10.42,;27.18,-10.98,;25.63,-10.98,;24.86,-9.65,;23.32,-9.65,;22.55,-10.98,;23.32,-12.32,;24.86,-12.32,;21,-10.98,;20.24,-12.32,;18.69,-12.32,;17.92,-10.98,;18.69,-9.65,;20.24,-9.65,;16.38,-10.98,;15.61,-12.32,;14.06,-12.32,;13.29,-10.98,;14.06,-9.65,;15.61,-9.65,;16.38,-8.31,;15.61,-6.97,;16.38,-5.64,;14.06,-6.97,;27.95,-4.3,;27.18,-2.96,;26.6,-5.07,;29.28,-3.53,)|
BDBM50211359 COc1ccncc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:15.19,12.12,(2.34,4.24,;3.12,2.91,;4.66,2.93,;5.42,4.27,;6.96,4.29,;7.74,2.96,;6.99,1.62,;5.44,1.61,;4.68,.27,;3.35,1.04,;6,-.5,;3.9,-1.06,;2.35,-1.03,;1.55,-2.35,;.02,-2.33,;-.73,-.98,;.05,.34,;1.6,.32,;-2.27,-.96,;-3.04,-2.28,;-4.58,-2.26,;-5.35,-.93,;-4.55,.39,;-3.01,.38,;-6.88,-.91,;-7.66,-2.23,;-9.19,-2.22,;-9.96,-.87,;-9.17,.46,;-7.63,.44,;-6.84,1.76,;-7.6,3.1,;-6.81,4.43,;-9.14,3.12,)|
BDBM50211360 COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,wD:13.13,(32.13,-29.98,;30.6,-29.98,;29.83,-28.63,;30.59,-27.31,;29.83,-25.98,;28.29,-25.98,;27.51,-24.62,;27.54,-27.29,;28.3,-28.63,;27.52,-29.97,;26.19,-29.21,;28.87,-30.75,;26.76,-31.29,;25.2,-31.29,;24.44,-29.97,;22.91,-29.95,;22.13,-31.29,;22.9,-32.63,;24.43,-32.63,;20.59,-31.29,;19.82,-32.63,;18.27,-32.63,;17.5,-31.3,;18.28,-29.97,;19.82,-29.97,;15.96,-31.3,;15.18,-32.63,;13.65,-32.63,;12.88,-31.3,;13.65,-29.96,;15.19,-29.96,;15.96,-28.62,;15.18,-27.28,;15.96,-25.95,;13.65,-27.28,)|
BDBM50213533 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)F |wU:17.21,wD:14.14,(32.79,-36.92,;31.25,-36.91,;30.47,-38.24,;28.91,-38.24,;28.14,-39.59,;28.9,-40.91,;30.46,-40.91,;31.23,-39.59,;32.77,-39.6,;33.53,-40.94,;28.13,-42.25,;26.81,-41.49,;29.49,-43.03,;27.38,-43.56,;25.8,-43.56,;25.04,-42.25,;23.51,-42.21,;22.75,-43.53,;23.52,-44.88,;25.04,-44.88,;21.18,-43.53,;20.41,-44.86,;18.88,-44.86,;18.11,-43.51,;18.88,-42.18,;20.41,-42.21,;16.55,-43.51,;15.78,-44.85,;14.24,-44.85,;13.47,-43.5,;14.25,-42.18,;15.78,-42.18,;16.55,-40.83,;15.78,-39.5,;16.55,-38.16,;15.78,-36.83,;18.09,-38.16,)|
BDBM50213534 O=S(=O)(N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1)c1ccc2OCOc2c1 |wU:7.10,wD:4.3,(26.12,.88,;27.45,.11,;28.8,-.66,;26.69,-1.19,;25.12,-1.19,;24.36,.12,;22.82,.16,;22.06,-1.16,;22.84,-2.51,;24.36,-2.51,;20.49,-1.16,;19.73,-2.49,;18.2,-2.49,;17.43,-1.14,;18.2,.19,;19.73,.16,;15.87,-1.14,;15.1,-2.48,;13.56,-2.48,;12.79,-1.13,;13.57,.19,;15.1,.19,;15.87,1.53,;15.11,2.87,;15.11,4.42,;13.77,3.64,;28.21,1.46,;27.45,2.78,;28.22,4.13,;29.78,4.13,;30.82,5.26,;32.23,4.63,;32.06,3.09,;30.54,2.78,;29.78,1.46,)|
BDBM50213535 Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:15.19,wD:12.12,(31.74,-46.23,;30.97,-44.89,;31.73,-43.57,;30.98,-42.22,;29.42,-42.22,;28.65,-40.89,;28.65,-43.57,;29.41,-44.89,;28.64,-46.24,;27.32,-45.47,;30,-47.01,;27.88,-47.54,;26.31,-47.54,;25.55,-46.24,;24.01,-46.19,;23.25,-47.51,;24.03,-48.86,;25.55,-48.86,;21.68,-47.51,;20.91,-48.84,;19.39,-48.84,;18.61,-47.49,;19.38,-46.16,;20.92,-46.19,;17.06,-47.49,;16.28,-48.83,;14.74,-48.83,;13.97,-47.48,;14.76,-46.16,;16.28,-46.16,;17.06,-44.82,;16.29,-43.48,;17.06,-42.15,;17.82,-40.8,;18.39,-42.91,;15.72,-41.39,)|
BDBM50213536 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCCF |wU:17.21,14.14,(9.78,-22.9,;8.24,-22.89,;7.46,-24.22,;5.9,-24.22,;5.13,-25.56,;5.89,-26.89,;7.45,-26.89,;8.21,-25.57,;9.75,-25.58,;10.52,-26.91,;5.12,-28.23,;3.8,-27.47,;6.48,-29.01,;4.36,-29.54,;2.79,-29.54,;2.03,-30.86,;.51,-30.86,;-.27,-29.51,;.5,-28.19,;2.03,-28.23,;-1.84,-29.51,;-2.6,-30.83,;-4.13,-30.83,;-4.91,-29.49,;-4.14,-28.16,;-2.6,-28.19,;-6.46,-29.49,;-7.23,-30.83,;-8.77,-30.83,;-9.55,-29.48,;-8.76,-28.16,;-7.24,-28.16,;-6.46,-26.81,;-7.23,-25.48,;-6.46,-24.14,;-7.23,-22.81,)|
BDBM50213537 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,wD:14.14,(31.88,-7.8,;30.34,-7.79,;29.56,-9.12,;28,-9.12,;27.23,-10.47,;27.99,-11.79,;29.55,-11.79,;30.32,-10.47,;31.86,-10.48,;32.62,-11.82,;27.22,-13.13,;25.9,-12.37,;28.58,-13.91,;26.47,-14.44,;24.89,-14.44,;24.14,-13.13,;22.6,-13.09,;21.84,-14.41,;22.61,-15.76,;24.13,-15.76,;20.27,-14.41,;19.5,-15.73,;17.98,-15.73,;17.2,-14.39,;17.97,-13.06,;19.51,-13.09,;15.65,-14.39,;14.87,-15.72,;13.33,-15.72,;12.56,-14.38,;13.35,-13.06,;14.87,-13.06,;15.65,-11.71,;14.88,-10.38,;15.64,-9.04,;16.4,-7.7,;16.98,-9.81,;14.31,-8.28,)|
BDBM50213538 Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:15.19,12.12,(9.95,-45.7,;9.18,-44.37,;9.94,-43.03,;9.15,-41.7,;7.6,-41.72,;6.82,-40.4,;6.85,-43.06,;7.63,-44.38,;6.87,-45.72,;5.52,-44.99,;8.22,-46.47,;6.15,-47.08,;4.62,-47.14,;3.89,-48.5,;2.36,-48.56,;1.54,-47.26,;2.25,-45.9,;3.79,-45.84,;.01,-47.32,;-.71,-48.68,;-2.24,-48.74,;-3.07,-47.44,;-2.36,-46.08,;-.82,-46.02,;-4.61,-47.51,;-5.32,-48.88,;-6.86,-48.95,;-7.68,-47.64,;-6.98,-46.28,;-5.44,-46.21,;-4.74,-44.84,;-5.57,-43.54,;-5.64,-42,;-6.94,-42.83,)|
BDBM50213539 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1cc(F)ccc1OC(C)C |wU:17.21,wD:14.14,(32.28,-7.61,;30.74,-7.6,;29.96,-8.93,;28.4,-8.93,;27.63,-10.28,;28.39,-11.6,;29.95,-11.6,;30.71,-10.28,;32.25,-10.29,;33.01,-11.63,;27.62,-12.95,;26.3,-12.18,;28.98,-13.72,;26.86,-14.25,;25.29,-14.25,;24.53,-12.94,;23,-12.9,;22.23,-14.22,;23.01,-15.57,;24.53,-15.57,;20.67,-14.22,;19.9,-15.55,;18.37,-15.55,;17.6,-14.2,;18.37,-12.87,;19.9,-12.9,;16.04,-14.2,;15.27,-15.54,;13.73,-15.54,;12.96,-16.87,;12.96,-14.19,;13.74,-12.87,;15.27,-12.87,;16.04,-11.52,;15.27,-10.19,;16.04,-8.86,;13.73,-10.19,)|
BDBM50213508 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccc(F)cc1OC(C)C |wU:17.21,wD:14.14,(30.8,4.05,;29.26,4.06,;28.48,2.73,;26.92,2.73,;26.15,1.38,;26.91,.06,;28.47,.06,;29.23,1.38,;30.77,1.37,;31.54,.03,;26.14,-1.29,;24.82,-.52,;27.5,-2.06,;25.39,-2.59,;23.81,-2.59,;23.05,-1.28,;21.52,-1.24,;20.76,-2.56,;21.53,-3.91,;23.05,-3.91,;19.19,-2.56,;18.42,-3.89,;16.89,-3.89,;16.12,-2.54,;16.89,-1.21,;18.43,-1.24,;14.57,-2.54,;13.79,-3.88,;12.25,-3.88,;11.48,-2.53,;9.94,-2.52,;12.27,-1.21,;13.79,-1.21,;14.57,.13,;13.79,1.47,;14.56,2.8,;12.25,1.47,)|
BDBM50213522 COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:16.20,13.13,(10.72,-35.85,;9.18,-35.85,;8.41,-34.51,;9.17,-33.19,;8.41,-31.84,;6.86,-31.84,;6.08,-30.51,;6.08,-33.19,;6.85,-34.51,;6.08,-35.86,;4.75,-35.09,;7.44,-36.63,;5.32,-37.16,;3.75,-37.16,;2.99,-38.48,;1.47,-38.48,;.69,-37.13,;1.45,-35.81,;2.99,-35.86,;-.88,-37.13,;-1.65,-38.46,;-3.17,-38.46,;-3.95,-37.11,;-3.18,-35.78,;-1.64,-35.81,;-5.5,-37.11,;-6.28,-38.45,;-7.82,-38.45,;-8.59,-37.1,;-7.8,-35.78,;-6.28,-35.78,;-5.5,-34.44,;-6.27,-33.1,;-5.5,-31.77,;-4.75,-30.43,;-4.17,-32.53,;-6.84,-31.01,)|
BDBM50213523 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)F |wU:17.21,14.14,(10.25,-37,;8.71,-36.99,;7.93,-38.32,;6.37,-38.32,;5.6,-39.66,;6.36,-40.99,;7.93,-40.99,;8.69,-39.66,;10.23,-39.67,;10.99,-41.01,;5.59,-42.33,;4.27,-41.57,;6.95,-43.11,;4.84,-43.64,;3.26,-43.64,;2.5,-44.96,;.98,-44.96,;.21,-43.6,;.97,-42.29,;2.51,-42.33,;-1.36,-43.6,;-2.13,-44.93,;-3.66,-44.93,;-4.43,-43.59,;-3.66,-42.25,;-2.12,-42.29,;-5.98,-43.59,;-6.76,-44.92,;-8.3,-44.92,;-9.07,-43.58,;-8.29,-42.25,;-6.76,-42.25,;-5.98,-40.91,;-6.76,-39.58,;-5.99,-38.24,;-6.76,-36.91,;-4.45,-38.24,)|
BDBM50213524 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OC(C)C |wU:17.21,wD:14.14,(30.34,5.31,;28.8,5.3,;28.05,3.95,;26.49,3.94,;25.74,2.59,;26.52,1.27,;28.07,1.28,;28.83,2.62,;30.37,2.64,;31.15,1.31,;25.76,-.07,;24.41,.67,;27.11,-.81,;25.04,-1.43,;23.51,-1.49,;22.68,-.18,;21.14,-.24,;20.43,-1.6,;21.25,-2.91,;22.79,-2.85,;18.9,-1.66,;18.18,-3.02,;16.65,-3.09,;15.82,-1.79,;16.53,-.42,;18.07,-.36,;14.28,-1.85,;13.57,-3.22,;12.03,-3.29,;11.2,-1.99,;11.91,-.62,;13.45,-.55,;14.15,.82,;13.32,2.11,;14.03,3.48,;11.78,2.04,)|
BDBM50213525 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,14.14,(10.65,-7.4,;9.11,-7.39,;8.33,-8.72,;6.77,-8.72,;6,-10.07,;6.76,-11.39,;8.32,-11.39,;9.08,-10.07,;10.62,-10.08,;11.38,-11.42,;5.99,-12.74,;4.67,-11.97,;7.35,-13.51,;5.23,-14.04,;3.66,-14.04,;2.9,-15.36,;1.38,-15.36,;.6,-14.01,;1.37,-12.69,;2.9,-12.73,;-.96,-14.01,;-1.73,-15.34,;-3.26,-15.34,;-4.03,-13.99,;-3.26,-12.66,;-1.73,-12.69,;-5.59,-13.99,;-6.36,-15.33,;-7.9,-15.33,;-8.67,-13.98,;-7.89,-12.66,;-6.36,-12.66,;-5.59,-11.31,;-6.36,-9.98,;-5.59,-8.65,;-4.83,-7.3,;-4.25,-9.41,;-6.93,-7.89,)|
BDBM50213526 FC(F)Oc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,wD:14.14,(33.81,-7.51,;33.03,-8.83,;33.79,-10.17,;31.49,-8.82,;30.71,-10.15,;29.15,-10.15,;28.38,-11.5,;29.14,-12.82,;30.71,-12.82,;31.47,-11.5,;28.37,-14.17,;27.05,-13.4,;29.73,-14.94,;27.62,-15.47,;26.04,-15.47,;25.29,-14.16,;23.75,-14.12,;22.99,-15.44,;23.76,-16.79,;25.28,-16.79,;21.42,-15.44,;20.65,-16.77,;19.13,-16.77,;18.35,-15.42,;19.12,-14.09,;20.66,-14.12,;16.8,-15.42,;16.02,-16.76,;14.48,-16.76,;13.71,-15.41,;14.5,-14.09,;16.02,-14.09,;16.8,-12.75,;16.03,-11.41,;16.8,-10.08,;17.55,-8.73,;18.13,-10.84,;15.46,-9.32,)|
BDBM50213509 FC(F)Oc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,14.14,(10.76,-7.54,;9.98,-8.87,;10.75,-10.21,;8.44,-8.86,;7.67,-10.19,;6.11,-10.19,;5.34,-11.54,;6.1,-12.86,;7.66,-12.86,;8.42,-11.54,;5.33,-14.21,;4.01,-13.44,;6.69,-14.98,;4.57,-15.51,;3,-15.51,;2.24,-16.83,;.72,-16.83,;-.06,-15.48,;.71,-14.16,;2.24,-14.2,;-1.62,-15.48,;-2.39,-16.81,;-3.92,-16.81,;-4.69,-15.46,;-3.92,-14.13,;-2.39,-14.16,;-6.25,-15.46,;-7.02,-16.8,;-8.56,-16.8,;-9.33,-15.45,;-8.55,-14.13,;-7.02,-14.13,;-6.25,-12.78,;-7.02,-11.45,;-6.25,-10.12,;-5.49,-8.77,;-4.91,-10.88,;-7.59,-9.36,)|
BDBM50213510 Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:15.19,wD:12.12,(31.96,-44.68,;31.18,-43.35,;31.94,-42.01,;31.16,-40.68,;29.61,-40.69,;28.82,-39.37,;28.85,-42.04,;29.64,-43.36,;28.88,-44.7,;27.52,-43.96,;30.22,-45.44,;28.16,-46.06,;26.62,-46.12,;25.8,-44.81,;24.25,-44.87,;23.54,-46.24,;24.37,-47.54,;25.9,-47.48,;22.01,-46.29,;21.29,-47.66,;19.76,-47.72,;18.93,-46.42,;19.64,-45.05,;21.18,-44.99,;17.39,-46.49,;16.68,-47.85,;15.14,-47.92,;14.31,-46.62,;15.02,-45.26,;16.56,-45.18,;17.26,-43.81,;16.43,-42.52,;16.36,-40.99,;15.06,-41.82,)|
BDBM50213511 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:17.21,14.14,(10.4,-18.11,;8.86,-18.12,;8.11,-19.46,;6.55,-19.48,;5.8,-20.82,;6.58,-22.14,;8.13,-22.14,;8.89,-20.8,;10.43,-20.78,;11.21,-22.11,;5.82,-23.49,;4.47,-22.75,;7.17,-24.23,;5.1,-24.85,;3.57,-24.91,;2.85,-26.27,;1.31,-26.33,;.49,-25.02,;1.2,-23.66,;2.75,-23.6,;-1.04,-25.08,;-1.76,-26.44,;-3.29,-26.51,;-4.12,-25.21,;-3.41,-23.84,;-1.87,-23.78,;-5.66,-25.27,;-6.37,-26.64,;-7.91,-26.71,;-8.73,-25.41,;-8.03,-24.04,;-6.49,-23.97,;-5.79,-22.6,;-6.62,-21.31,;-6.69,-19.77,;-7.99,-20.6,)|
BDBM50213512 COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:16.20,13.13,(10.04,-34.29,;8.5,-34.3,;7.72,-32.97,;8.48,-31.63,;7.7,-30.3,;6.15,-30.32,;5.37,-29,;5.4,-31.66,;6.18,-32.98,;5.42,-34.32,;4.07,-33.59,;6.77,-35.07,;4.7,-35.69,;3.16,-35.74,;2.44,-37.1,;.91,-37.16,;.09,-35.86,;.8,-34.5,;2.34,-34.44,;-1.45,-35.92,;-2.16,-37.28,;-3.7,-37.35,;-4.52,-36.05,;-3.82,-34.68,;-2.28,-34.62,;-6.06,-36.11,;-6.77,-37.48,;-8.31,-37.55,;-9.14,-36.24,;-8.43,-34.88,;-6.9,-34.81,;-6.19,-33.44,;-7.02,-32.14,;-7.1,-30.6,;-8.39,-31.43,)|
BDBM50213513 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:17.21,wD:14.14,(32.87,-18.24,;31.33,-18.26,;30.57,-19.6,;29.02,-19.61,;28.27,-20.96,;29.05,-22.28,;30.59,-22.27,;31.35,-20.93,;32.89,-20.92,;33.67,-22.24,;28.29,-23.62,;26.94,-22.88,;29.64,-24.36,;27.57,-24.98,;26.03,-25.04,;25.21,-23.74,;23.67,-23.79,;22.96,-25.16,;23.78,-26.46,;25.31,-26.4,;21.42,-25.21,;20.7,-26.58,;19.17,-26.64,;18.34,-25.34,;19.05,-23.98,;20.59,-23.91,;16.81,-25.41,;16.09,-26.78,;14.55,-26.84,;13.73,-25.54,;14.43,-24.18,;15.97,-24.1,;16.67,-22.73,;15.84,-21.44,;15.77,-19.91,;14.47,-20.74,)|
BDBM50213514 COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:16.20,wD:13.13,(32.85,-34.59,;31.31,-34.6,;30.53,-33.27,;31.29,-31.93,;30.5,-30.6,;28.95,-30.62,;28.17,-29.3,;28.2,-31.96,;28.98,-33.28,;28.22,-34.62,;26.87,-33.89,;29.57,-35.37,;27.5,-35.99,;25.97,-36.04,;25.14,-34.74,;23.6,-34.8,;22.89,-36.16,;23.71,-37.46,;25.24,-37.4,;21.35,-36.22,;20.64,-37.58,;19.11,-37.65,;18.28,-36.35,;18.98,-34.98,;20.53,-34.92,;16.74,-36.41,;16.03,-37.78,;14.49,-37.85,;13.66,-36.54,;14.37,-35.18,;15.9,-35.11,;16.61,-33.74,;15.78,-32.44,;15.7,-30.91,;14.41,-31.74,)|
BDBM50213515 COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:16.20,wD:13.13,(33.93,-35.76,;32.39,-35.76,;31.62,-34.43,;32.38,-33.1,;31.63,-31.76,;30.07,-31.76,;29.3,-30.42,;29.3,-33.1,;30.06,-34.43,;29.29,-35.77,;27.97,-35.01,;30.65,-36.55,;28.53,-37.08,;26.96,-37.08,;26.2,-35.77,;24.67,-35.73,;23.9,-37.04,;24.68,-38.4,;26.2,-38.4,;22.33,-37.04,;21.57,-38.37,;20.04,-38.37,;19.26,-37.03,;20.03,-35.69,;21.57,-35.73,;17.71,-37.03,;16.94,-38.36,;15.4,-38.36,;14.62,-37.01,;15.41,-35.69,;16.93,-35.69,;17.71,-34.35,;16.94,-33.02,;17.71,-31.68,;18.47,-30.34,;19.05,-32.44,;16.37,-30.92,)|
BDBM50213516 FC(F)(F)COc1ccccc1C1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc2OCCOc2c1 |wU:18.19,21.26,(-5.05,-19.16,;-5.81,-20.51,;-4.47,-21.27,;-7.15,-19.75,;-6.58,-21.84,;-5.8,-23.18,;-6.58,-24.52,;-8.1,-24.52,;-8.89,-25.84,;-8.12,-27.19,;-6.58,-27.19,;-5.8,-25.85,;-4.25,-25.85,;-3.48,-27.2,;-1.95,-27.2,;-1.18,-25.87,;-1.94,-24.55,;-3.48,-24.52,;.39,-25.87,;1.16,-27.22,;2.68,-27.22,;3.44,-25.9,;2.68,-24.59,;1.15,-24.55,;5.02,-25.9,;5.77,-24.6,;4.45,-23.83,;7.13,-25.37,;6.54,-23.25,;5.78,-21.93,;6.55,-20.58,;8.11,-20.58,;8.89,-19.25,;10.43,-19.26,;11.19,-20.6,;10.41,-21.93,;8.86,-21.93,;8.1,-23.25,)|
BDBM50213517 O=S(=O)(N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1)c1ccc2OCOc2c1 |wU:7.10,4.3,(4.39,.82,;5.71,.06,;7.07,-.72,;4.95,-1.25,;3.38,-1.25,;2.62,-2.57,;1.1,-2.57,;.32,-1.21,;1.09,.1,;2.62,.06,;-1.24,-1.21,;-2.01,-2.54,;-3.54,-2.54,;-4.31,-1.2,;-3.54,.13,;-2.01,.1,;-5.86,-1.2,;-6.64,-2.53,;-8.18,-2.53,;-8.95,-1.18,;-8.16,.13,;-6.64,.13,;-5.86,1.48,;-6.63,2.82,;-6.63,4.36,;-7.97,3.59,;6.48,1.4,;5.71,2.72,;6.49,4.07,;8.04,4.07,;9.08,5.21,;10.49,4.57,;10.32,3.04,;8.8,2.72,;8.04,1.4,)|
BDBM50213518 CC(C)Oc1ccccc1C1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)c(F)c1 |wU:16.17,wD:19.24,(14.85,-7.42,;14.15,-8.79,;12.61,-8.86,;14.98,-10.08,;14.27,-11.45,;12.74,-11.52,;12.03,-12.89,;12.86,-14.19,;14.4,-14.12,;15.11,-12.75,;16.65,-12.69,;17.47,-13.99,;19,-13.92,;19.72,-12.56,;18.89,-11.26,;17.35,-11.32,;21.26,-12.5,;21.97,-11.14,;23.51,-11.08,;24.33,-12.39,;23.61,-13.75,;22.08,-13.81,;25.87,-12.33,;26.59,-10.97,;25.24,-10.23,;27.94,-11.71,;27.35,-9.62,;26.57,-8.3,;27.32,-6.96,;28.87,-6.94,;29.63,-5.6,;29.65,-8.28,;31.19,-8.26,;28.89,-9.62,)|
BDBM50213519 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCCF |wU:17.21,wD:14.14,(31.66,-22.48,;30.12,-22.47,;29.34,-23.8,;27.78,-23.8,;27.01,-25.15,;27.77,-26.47,;29.33,-26.47,;30.09,-25.15,;31.63,-25.16,;32.4,-26.5,;27,-27.82,;25.68,-27.05,;28.36,-28.59,;26.24,-29.13,;24.67,-29.13,;23.91,-27.82,;22.38,-27.77,;21.61,-29.09,;22.39,-30.44,;23.91,-30.44,;20.04,-29.09,;19.28,-30.42,;17.75,-30.42,;16.97,-29.08,;17.74,-27.74,;19.28,-27.77,;15.42,-29.08,;14.64,-30.41,;13.1,-30.41,;12.33,-29.06,;13.12,-27.74,;14.64,-27.74,;15.42,-26.4,;14.65,-25.06,;15.42,-23.73,;14.65,-22.4,)|
BDBM50213520 FC(F)Oc1cccc(c1)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,14.14,(10.92,.29,;9.38,.29,;8.6,-1.03,;8.62,1.63,;7.08,1.64,;6.32,2.99,;4.76,2.99,;3.99,1.64,;4.75,.32,;6.32,.32,;3.98,-1.02,;2.66,-.26,;5.34,-1.8,;3.23,-2.33,;1.65,-2.33,;.89,-3.65,;-.63,-3.65,;-1.4,-2.3,;-.64,-.98,;.9,-1.02,;-2.97,-2.3,;-3.74,-3.62,;-5.27,-3.62,;-6.04,-2.28,;-5.27,-.95,;-3.73,-.98,;-7.59,-2.28,;-8.37,-3.62,;-9.91,-3.62,;-10.68,-2.27,;-9.89,-.95,;-8.37,-.95,;-7.59,.4,;-8.37,1.73,;-7.6,3.07,;-6.84,4.41,;-6.26,2.3,;-8.94,3.83,)|
BDBM50213521 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC(C)C |wU:17.21,14.14,(9.42,6.24,;7.88,6.23,;7.12,4.89,;5.57,4.87,;4.82,3.53,;5.6,2.21,;7.14,2.22,;7.9,3.56,;9.44,3.57,;10.22,2.24,;4.84,.87,;3.49,1.6,;6.19,.12,;4.12,-.5,;2.58,-.55,;1.86,-1.91,;.33,-1.97,;-.49,-.67,;.22,.69,;1.76,.75,;-2.03,-.73,;-2.75,-2.09,;-4.28,-2.16,;-5.11,-.86,;-4.4,.51,;-2.86,.57,;-6.64,-.92,;-7.36,-2.29,;-8.9,-2.36,;-9.72,-1.05,;-9.02,.31,;-7.48,.38,;-6.78,1.75,;-7.61,3.05,;-6.9,4.41,;-9.15,2.97,)|
BDBM50213527 FC(F)(F)COc1ccccc1C1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc2OCCOc2c1 |wU:18.19,wD:21.26,(18.05,-19.16,;17.29,-20.51,;18.63,-21.27,;15.95,-19.75,;16.52,-21.84,;17.3,-23.18,;16.52,-24.52,;15,-24.52,;14.21,-25.84,;14.98,-27.19,;16.52,-27.19,;17.3,-25.85,;18.85,-25.85,;19.62,-27.2,;21.15,-27.2,;21.92,-25.87,;21.16,-24.55,;19.62,-24.52,;23.49,-25.87,;24.25,-24.55,;25.78,-24.59,;26.54,-25.9,;25.78,-27.22,;24.26,-27.22,;28.12,-25.9,;28.87,-24.6,;27.55,-23.83,;30.23,-25.37,;29.64,-23.25,;28.88,-21.93,;29.65,-20.58,;31.21,-20.58,;31.99,-19.25,;33.53,-19.26,;34.29,-20.6,;33.51,-21.93,;31.96,-21.93,;31.2,-23.25,)|
BDBM50213528 CC(C)Oc1ccccc1C1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)c(F)c1 |wU:16.17,19.24,(-7.13,-7.52,;-7.84,-8.89,;-9.38,-8.96,;-7.01,-10.18,;-7.71,-11.55,;-9.25,-11.62,;-9.96,-12.99,;-9.13,-14.29,;-7.59,-14.22,;-6.88,-12.85,;-5.34,-12.79,;-4.51,-14.09,;-2.98,-14.02,;-2.26,-12.66,;-3.09,-11.36,;-4.63,-11.42,;-.73,-12.6,;.09,-13.91,;1.63,-13.85,;2.35,-12.49,;1.52,-11.18,;-.02,-11.24,;3.88,-12.43,;4.6,-11.07,;3.25,-10.33,;5.95,-11.81,;5.36,-9.72,;4.58,-8.4,;5.34,-7.06,;6.89,-7.04,;7.64,-5.7,;7.67,-8.38,;9.21,-8.36,;6.91,-9.72,)|
BDBM50213529 Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:15.19,12.12,(8.56,-46.34,;7.79,-45.01,;8.56,-43.69,;7.8,-42.34,;6.24,-42.34,;5.47,-41.01,;5.47,-43.69,;6.23,-45.01,;5.46,-46.35,;4.14,-45.59,;6.82,-47.13,;4.71,-47.66,;3.13,-47.66,;2.37,-48.98,;.85,-48.98,;.08,-47.63,;.84,-46.31,;2.37,-46.35,;-1.49,-47.63,;-2.26,-48.96,;-3.79,-48.96,;-4.56,-47.61,;-3.79,-46.28,;-2.26,-46.31,;-6.12,-47.61,;-6.89,-48.95,;-8.43,-48.95,;-9.2,-47.6,;-8.42,-46.28,;-6.89,-46.28,;-6.12,-44.93,;-6.89,-43.6,;-6.12,-42.27,;-5.36,-40.92,;-4.78,-43.03,;-7.46,-41.5,)|
BDBM50213530 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1cc(F)ccc1OC(C)C |wU:17.21,14.14,(10.23,-7.86,;8.69,-7.85,;7.91,-9.18,;6.36,-9.18,;5.59,-10.53,;6.35,-11.85,;7.91,-11.85,;8.67,-10.53,;10.21,-10.54,;10.97,-11.88,;5.58,-13.19,;4.26,-12.43,;6.94,-13.97,;4.82,-14.5,;3.25,-14.5,;2.49,-15.82,;.97,-15.82,;.19,-14.47,;.96,-13.15,;2.49,-13.19,;-1.38,-14.47,;-2.14,-15.8,;-3.67,-15.8,;-4.45,-14.45,;-3.67,-13.12,;-2.14,-13.15,;-6,-14.45,;-6.77,-15.79,;-8.31,-15.79,;-9.08,-17.12,;-9.08,-14.44,;-8.3,-13.12,;-6.77,-13.12,;-6,-11.77,;-6.77,-10.44,;-6,-9.11,;-8.31,-10.44,)|
BDBM50213531 FC(F)Oc1cccc(c1)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,wD:14.14,(34.74,.1,;33.2,.11,;32.43,-1.22,;32.44,1.45,;30.9,1.46,;30.15,2.81,;28.59,2.81,;27.82,1.46,;28.58,.13,;30.14,.13,;27.81,-1.21,;26.49,-.44,;29.17,-1.98,;27.05,-2.51,;25.48,-2.51,;24.72,-1.21,;23.19,-1.16,;22.42,-2.48,;23.2,-3.83,;24.72,-3.83,;20.86,-2.48,;20.09,-3.81,;18.56,-3.81,;17.79,-2.46,;18.56,-1.13,;20.09,-1.16,;16.23,-2.46,;15.46,-3.8,;13.92,-3.8,;13.15,-2.45,;13.93,-1.13,;15.46,-1.13,;16.23,.21,;15.46,1.55,;16.23,2.88,;16.99,4.22,;17.57,2.12,;14.89,3.64,)|
BDBM50213532 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccc(F)cc1OC(C)C |wU:17.21,14.14,(10.4,4.9,;8.86,4.91,;8.09,3.58,;6.53,3.58,;5.76,2.24,;6.52,.91,;8.08,.91,;8.84,2.23,;10.38,2.22,;11.14,.89,;5.75,-.43,;4.43,.33,;7.11,-1.21,;4.99,-1.74,;3.42,-1.74,;2.66,-3.06,;1.14,-3.06,;.36,-1.71,;1.13,-.39,;2.66,-.43,;-1.2,-1.71,;-1.97,-3.03,;-3.5,-3.03,;-4.27,-1.69,;-3.5,-.36,;-1.97,-.39,;-5.83,-1.69,;-6.6,-3.02,;-8.14,-3.02,;-8.91,-1.68,;-10.45,-1.66,;-8.13,-.36,;-6.6,-.36,;-5.83,.99,;-6.6,2.32,;-5.83,3.66,;-8.14,2.32,)|
BDBM50223563 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,wD:14.14,(32.39,2.57,;30.9,2.95,;29.83,1.85,;28.32,2.24,;27.24,1.13,;27.66,-.35,;29.16,-.74,;30.24,.36,;31.73,-.03,;32.14,-1.51,;26.57,-1.45,;25.37,-.49,;27.77,-2.42,;25.74,-2.75,;24.21,-2.68,;23.49,-1.32,;21.95,-1.25,;21.13,-2.55,;21.85,-3.91,;23.38,-3.98,;19.6,-2.48,;18.78,-3.78,;17.25,-3.72,;16.54,-2.36,;17.34,-1.06,;18.89,-1.12,;15,-2.3,;14.19,-3.61,;12.64,-3.55,;11.92,-2.18,;12.74,-.88,;14.29,-.95,;15.11,.35,;14.39,1.72,;15.21,3.02,;15.97,4.36,;16.53,2.23,;13.89,3.81,)|
BDBM50223564 CCN([C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1 |wU:6.9,wD:3.2,(3.53,-33.38,;4.35,-32.08,;3.65,-30.72,;2.11,-30.65,;1.4,-29.28,;-.15,-29.21,;-.97,-30.51,;-.25,-31.88,;1.28,-31.94,;-2.49,-30.45,;-3.32,-31.75,;-4.85,-31.69,;-5.56,-30.33,;-4.76,-29.02,;-3.21,-29.08,;-7.1,-30.27,;-7.91,-31.57,;-9.46,-31.52,;-10.18,-30.15,;-9.36,-28.85,;-7.81,-28.91,;-6.99,-27.61,;-7.71,-26.25,;-6.89,-24.95,;-9.25,-26.19,;4.47,-29.42,;3.27,-28.46,;5.67,-30.38,;5.56,-28.31,;5.14,-26.83,;6.22,-25.73,;7.73,-26.11,;8.81,-25.01,;10.3,-25.4,;8.14,-27.61,;9.63,-27.99,;10.04,-29.47,;7.06,-28.71,)|
BDBM50223565 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,14.14,(32.39,2.57,;30.9,2.95,;29.83,1.85,;28.32,2.24,;27.24,1.13,;27.66,-.35,;29.16,-.74,;30.24,.36,;31.73,-.03,;32.14,-1.51,;26.57,-1.45,;25.37,-.49,;27.77,-2.42,;25.74,-2.75,;24.21,-2.68,;23.38,-3.98,;21.85,-3.91,;21.13,-2.55,;21.95,-1.25,;23.49,-1.32,;19.6,-2.48,;18.78,-3.78,;17.25,-3.72,;16.54,-2.36,;17.34,-1.06,;18.89,-1.12,;15,-2.3,;14.19,-3.61,;12.64,-3.55,;11.92,-2.18,;12.74,-.88,;14.29,-.95,;15.11,.35,;14.39,1.72,;15.21,3.02,;15.97,4.36,;16.53,2.23,;13.89,3.81,)|
BDBM50223566 CCN([C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1 |wU:6.9,3.2,(3.53,-33.38,;4.35,-32.08,;3.65,-30.72,;2.11,-30.65,;1.28,-31.94,;-.25,-31.88,;-.97,-30.51,;-.15,-29.21,;1.4,-29.28,;-2.49,-30.45,;-3.32,-31.75,;-4.85,-31.69,;-5.56,-30.33,;-4.76,-29.02,;-3.21,-29.08,;-7.1,-30.27,;-7.91,-31.57,;-9.46,-31.52,;-10.18,-30.15,;-9.36,-28.85,;-7.81,-28.91,;-6.99,-27.61,;-7.71,-26.25,;-6.89,-24.95,;-9.25,-26.19,;4.47,-29.42,;3.27,-28.46,;5.67,-30.38,;5.56,-28.31,;5.14,-26.83,;6.22,-25.73,;7.73,-26.11,;8.81,-25.01,;10.3,-25.4,;8.14,-27.61,;9.63,-27.99,;10.04,-29.47,;7.06,-28.71,)|
BDBM50238822 C1Cc2ccccc2C1c1ncc[nH]1
BDBM50238834 Clc1ccc2C(CCc2c1-c1cn[nH]c1)c1ncc[nH]1
BDBM50238839 CS(=O)(=O)Nc1c(Cl)ccc2C(CCCc12)c1ncc[nH]1
BDBM50241196 C[C@@H](c1cnc[nH]1)c1cccc(C)c1C
BDBM50258590 CS(=O)(=O)Nc1cccc(c1)-c1ccccc1[C@@H]1Cc2nccn2C1 |r|
BDBM50258591 CNS(=O)(=O)CCc1ccccc1[C@@H]1Cc2nccn2C1 |r|
BDBM50258592 CNC(=O)c1cccc(c1)-c1ccccc1[C@@H]1Cc2nccn2C1 |r|
BDBM50258593 Fc1ccc(C2Cc3nccn3C2)c(c1)-c1cncnc1
BDBM50258594 Fc1ccc(-c2cncnc2)c(c1)C1Cc2nccn2C1
BDBM50259534 Fc1ccccc1C1Cc2nccn2C1
BDBM50259537 N#Cc1ccccc1C1Cc2nccn2C1
BDBM50259538 COCc1ccccc1C1Cc2nccn2C1
BDBM50259381 C1C(Cn2ccnc12)c1ccccc1
BDBM50259382 C1Cc2nccn2CC1c1ccccc1
BDBM50259332 C1C(Cc2ccccc12)c1ncc[nH]1
BDBM50259333 C1Cc2nc[nH]c2CC1c1ccccc1
BDBM50259383 Clc1ccccc1C1CCc2nc[nH]c2C1
BDBM50259384 Clc1cccc(c1)C1CCc2nc[nH]c2C1
BDBM50259385 Clc1ccc(cc1)C1CCc2nc[nH]c2C1
BDBM50259386 COc1ccccc1C1CCc2nc[nH]c2C1
BDBM50259387 COc1cccc(c1)C1CCc2nc[nH]c2C1
BDBM50258517 N#Cc1ccccc1[C@@H]1Cc2nccn2C1 |r|
BDBM50258518 C1[C@H](Cn2ccnc12)c1ccccc1-c1ccccc1 |r|
BDBM50258638 Fc1cccc(-c2cncnc2)c1C1Cc2nccn2C1
BDBM50259484 COc1ccc(cc1)C1CCc2nc[nH]c2C1
BDBM50259485 COCc1ccccc1C1CCc2nc[nH]c2C1
BDBM50259486 Clc1ccccc1C1Cc2nccn2C1
BDBM50259487 Clc1ccc(cc1)C1Cc2nccn2C1
BDBM50259489 COc1cccc(c1)C1Cc2nccn2C1
BDBM50258559 C1[C@H](Cn2ccnc12)c1ccccc1-c1cncnc1 |r|
BDBM50258560 C1[C@H](Cn2ccnc12)c1ccccc1-c1ncco1 |r|
BDBM50258561 C1[C@@H](Cn2ccnc12)c1ccccc1-c1ncco1 |r|
BDBM50256563 COCc1c2CC[C@@H](c3ncc[nH]3)c2ccc1Cl |r|
BDBM50258563 C1[C@H](Cn2ccnc12)c1ccccc1-c1cccnc1 |r|
BDBM50258564 C1[C@H](Cn2ccnc12)c1ccccc1-c1ccncc1 |r|
BDBM50258589 C1[C@H](Cn2ccnc12)c1ccccc1-n1cccn1 |r|
BDBM50258639 Fc1ccc(C2Cc3nccn3C2)c(c1)-c1ncco1
BDBM50258640 Fc1ccc(-c2ncco2)c(c1)C1Cc2nccn2C1
BDBM50258641 Fc1ccc(C2Cc3nccn3C2)c(c1)-c1cc[nH]n1
BDBM50258643 Fc1ccc(c(c1)C1Cc2nccn2C1)-n1cccn1
BDBM50258644 Fc1ccc(C2Cc3nccn3C2)c(c1)-n1cccn1
BDBM50253285 CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
BDBM50269979 CC[C@@H]1O[C@@](\C=C\C2CC2)(c2c(F)c(F)ccc2NC1=O)C(F)(F)F |r|
BDBM50327860 CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
BDBM50327861 CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
BDBM50327863 CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
BDBM50328474 NCc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50328475 CC(=O)NCc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50328476 Cn1nnc(Cc2ccc3n(cc(C4CCN(CCN5CCNC5=O)CC4)c3c2)-c2ccc(F)cc2)n1
BDBM50328477 CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1cncnc1
BDBM50328478 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnn(C)n1
BDBM50328479 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnnn1C
BDBM50328480 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccnn1C
BDBM50328481 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccn(C)n1
BDBM50328482 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cnn(C)c1
BDBM50328483 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ncn(C)n1
BDBM50328484 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccc(C)s1
BDBM50328485 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccccn1
BDBM50328486 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cccnc1
BDBM50328487 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccncc1
BDBM50328488 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cncnc1
BDBM50328489 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccccc1
BDBM50328490 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccccc1C
BDBM50328491 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cccc(C)c1
BDBM50328492 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccc(C)cc1
BDBM50328493 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cccc(C)c1C
BDBM50328494 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1c(C)cccc1C
BDBM50328495 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1c(C)cc(C)cc1C
BDBM50328496 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)C#N
BDBM50328497 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CN)cc12
BDBM50328500 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12
BDBM50328501 CC(C)C(=O)NCc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
BDBM50328502 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CNC(=O)C(C)(C)C)cc12
BDBM50328503 CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12 |r|
BDBM50328504 CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12 |r|
BDBM50328505 CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@@H](N3CCN(C)CC3)c2c1 |r|
BDBM50328506 CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1 |r|
BDBM50326197 Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O
BDBM50326218 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
BDBM50326219 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
BDBM50336843 Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50343890 COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(-6.86,-9.06,;-6.09,-10.39,;-6.85,-11.73,;-8.4,-11.74,;-9.16,-13.07,;-8.38,-14.4,;-6.84,-14.4,;-6.07,-13.06,;-4.53,-13.06,;-3.77,-14.39,;-2.23,-14.39,;-1.46,-13.06,;.08,-13.06,;.85,-11.73,;2.39,-11.73,;3.16,-10.4,;4.7,-10.4,;2.39,-9.07,;.46,-8.94,;.71,-7.01,;2.65,-7.12,;2.13,-6.61,;1.89,-8.55,;-.05,-8.43,;.21,-6.48,;-.77,-5.3,;3.16,-13.07,;4.68,-13.06,;5.45,-14.4,;4.67,-15.73,;3.14,-15.72,;2.37,-14.39,;-2.23,-11.73,;-3.78,-11.73,)|
BDBM50343894 Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(16.06,-35.05,;15.3,-36.38,;13.75,-36.39,;12.99,-37.73,;13.77,-39.05,;15.31,-39.05,;16.08,-37.72,;17.61,-37.71,;18.38,-39.05,;19.91,-39.05,;20.69,-37.72,;22.22,-37.72,;22.99,-36.39,;24.53,-36.39,;25.3,-35.06,;26.84,-35.06,;24.54,-33.72,;22.6,-33.6,;22.86,-31.67,;24.8,-31.78,;24.28,-31.26,;24.04,-33.21,;22.1,-33.08,;22.36,-31.14,;21.37,-29.96,;25.3,-37.72,;26.83,-37.71,;27.6,-39.06,;26.82,-40.39,;25.28,-40.38,;24.52,-39.05,;19.91,-36.38,;18.37,-36.38,)|
BDBM50335253 OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
BDBM50348759 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)CCCCC2CCSS2)c-31 |r|
BDBM50356604 COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
BDBM50356605 COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 |(35.86,-1.26,;36.63,.07,;35.86,1.4,;34.32,1.4,;33.55,2.73,;34.32,4.06,;35.86,4.06,;36.63,2.73,;38.16,2.73,;38.93,1.4,;40.47,1.4,;41.24,2.73,;42.78,2.73,;43.54,4.06,;45.08,4.06,;45.85,2.73,;45.08,1.4,;47.39,2.73,;47.96,2.27,;47.96,.33,;47.39,.77,;49.32,.9,;49.31,2.86,;49.89,2.42,;49.89,.46,;51.42,.46,;52.19,-.87,;45.85,5.39,;45.08,6.73,;45.85,8.06,;47.39,8.06,;48.16,6.73,;47.39,5.39,;40.47,4.06,;38.93,4.06,)|
BDBM50356606 COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
BDBM50383117 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
BDBM50366647 COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@@H](C2)N2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50366618 COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:36,t:33|
BDBM50377396 C1CC(c2ncc[nH]2)c2ccccc2C1 |w:2.2|
BDBM50377397 Clc1ccc2C(CCc2c1-c1cc[nH]n1)c1ncc[nH]1
BDBM50377398 Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O |t:5|
BDBM50377399 Cc1oncc1-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|
BDBM50377400 C1Cc2c(cccc2-c2nccs2)C1c1ncc[nH]1 |w:13.16|
BDBM50377401 C1Cc2c(cccc2-c2ncco2)C1c1ncc[nH]1 |w:13.16|
BDBM50377402 C1Cc2c(cccc2-c2cccnc2)C1c1ncc[nH]1 |w:14.17|
BDBM50377403 C1Cc2c(cccc2-c2ccccn2)C1c1ncc[nH]1 |w:14.17|
BDBM50377404 Cn1ccc(n1)-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|
BDBM50377405 Cn1cc(cn1)-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|
BDBM50377406 Cc1ccc2C(CCc2c1NS(C)(=O)=O)c1ncc[nH]1 |w:5.16|
BDBM50377407 CCCS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1 |w:12.17|
BDBM50377408 COc1c2CCC(c3ncc[nH]3)c2ccc1Cl |w:6.6|
BDBM50377386 Cn1nccc1-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|
BDBM50377387 Cc1[nH]ncc1-c1cccc2C(CCc12)c1ncc[nH]1
BDBM50377388 C1Cc2c(cccc2-c2cn[nH]c2)C1c1ncc[nH]1 |w:13.16|
BDBM50377389 C1Cc2c(cccc2-c2cc[nH]n2)C1c1ncc[nH]1
BDBM50377390 COc1c2CCC(c3ncc[nH]3)c2ccc1C |w:6.6|
BDBM50377391 COc1cccc2C(CCc12)c1ncc[nH]1 |w:7.12|
BDBM50377392 CNC(=O)c1cccc2C(CCc12)c1ncc[nH]1 |w:9.14|
BDBM50377393 CS(=O)(=O)Nc1cccc2C(CCCc12)c1ncc[nH]1 |w:10.16|
BDBM50377394 CCS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1 |w:11.16|
BDBM50377395 CS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1 |w:10.15|
BDBM50370020 C(c1cnc[nH]1)c1csc2ccccc12
BDBM50370021 Cc1csc(C)c1Cc1cnc[nH]1
BDBM50370022 CC(c1cnc[nH]1)c1cscc1C
BDBM50370023 Brc1ccsc1Cc1cnc[nH]1
BDBM50370024 CC(c1cnc[nH]1)c1scc(C)c1C
BDBM50370025 CCC(c1cnc[nH]1)c1cscc1C
BDBM50370026 Clc1cc(Cc2cnc[nH]2)c(Cl)s1
BDBM50370027 COC(c1cnc[nH]1)c1sccc1Br
BDBM50370028 Cc1sccc1Cc1cnc[nH]1
BDBM50370029 CC(c1cnc[nH]1)c1ccsc1C
BDBM50370030 Cc1cscc1Cc1cnc[nH]1
BDBM50370031 C(c1ccsc1)c1cnc[nH]1
BDBM50370032 C(c1cnc[nH]1)c1cc2CCCCc2s1
BDBM50370033 CCc1cscc1Cc1cnc[nH]1
BDBM50370034 Cc1ccsc1Cc1cnc[nH]1
BDBM50370035 CC(c1cnc[nH]1)c1cscc1Br
BDBM50370036 Brc1csc(Cc2cnc[nH]2)c1Br
BDBM50370037 CCc1sccc1Cc1cnc[nH]1
BDBM50370038 C(c1cnc[nH]1)c1cccs1
BDBM50370039 Cc1ccc(Cc2cnc[nH]2)s1
BDBM50370040 COC(c1cnc[nH]1)c1cscc1C
BDBM50370042 Cc1ccsc1C1(CC1)c1cnc[nH]1
BDBM50370043 CCc1cscc1C(C)c1cnc[nH]1
BDBM50370044 Brc1cscc1Cc1cnc[nH]1
BDBM50370045 CC(C)c1cc(Cc2cnc[nH]2)c(s1)C(C)C
BDBM50370046 CCC(c1cnc[nH]1)c1sccc1C
BDBM50370047 CC(c1cnc[nH]1)c1scc(Br)c1Br
BDBM50370015 Cc1cc(Cc2cnc[nH]2)c(C)s1
BDBM50370016 CCc1cc(Cc2cnc[nH]2)c(CC)s1
BDBM50370017 C(c1cnc[nH]1)c1cc2ccccc2s1
BDBM50370019 Cc1csc(Cc2cnc[nH]2)c1C
BDBM50392637 COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 |r|
BDBM50392638 COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 |r|
BDBM50392639 COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 |r|
BDBM50392640 COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1 |r|
BDBM50392641 COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r|
BDBM50392642 COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1 |r|
BDBM50392643 COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 |r|
BDBM50392644 COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 |r|
BDBM50392645 COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 |r|
BDBM50392646 COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 |r|
BDBM50392647 COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 |r|
BDBM50392648 COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1 |r|
BDBM50393116 COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
BDBM50408667 COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccc(CN(C)C)o1
BDBM50408668 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CN)c1
BDBM50408669 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1CN(C)C
BDBM50408670 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CN2CCSC2)cc1
BDBM50408671 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1
BDBM50408672 CNCCCCCCN(C)Cc1cccc(c1)C(=O)N(C)CCCCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50408673 COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccc(CCl)o1
BDBM50408674 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CCl)cc1
BDBM50408675 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CCl)o1
BDBM50408676 CNCCCCCCN(C)Cc1ccc(cc1)C(=O)N(C)CCCCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50408677 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1CNCCCCCCN
BDBM50408678 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CN(C)C)cc1
BDBM50408679 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CN(C)C)o1
BDBM50408680 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1CCl
BDBM50408681 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CCl)c1
BDBM50408682 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CN2CCSC2)c1
BDBM50408683 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CN(C)C)c1
BDBM50403647 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccco1
BDBM50403649 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
BDBM50403651 COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccco1
BDBM50409687 COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O
BDBM50409688 COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1
BDBM50409689 COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1
BDBM50409690 COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1
BDBM50409691 COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1
BDBM50409692 COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1
BDBM50409811 COc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50409812 COc1cccc(OC)c1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50409813 C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50409814 COc1cccc(OC)c1OCCNCC1CO[C@@](C)(O1)c1ccccc1 |r|
BDBM50411187 COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 |r|
BDBM50411188 COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 |r|
BDBM50411189 COc1cccc(OC)c1OCCNC[C@H]1COc2cc3CCCCc3cc2O1 |r|
BDBM50411190 COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 |r|
BDBM50411191 COc1cc(ccc1OCCNC[C@H]1COc2ccccc2O1)-c1ccccc1 |r|
BDBM50411192 COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3CCCCc3cc2O1 |r|
BDBM50411193 COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 |r|
BDBM50411194 COc1ccc2CCCCc2c1OCCNC[C@H]1COc2ccccc2O1 |r|
BDBM50411195 COc1ccc(cc1OCCNC[C@H]1COc2ccccc2O1)-c1ccccc1 |r|
BDBM50410225 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CCCCC1CCSS1
BDBM50410226 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CC1CCSS1
BDBM50410227 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCSS1
BDBM50414396 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)C1COc2ccccc2O1 |r|
BDBM50414397 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(=O)C1COc2ccccc2O1 |r|
BDBM50414398 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@H]12)C(=O)C1COc2ccccc2O1 |r|
BDBM50414399 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)C1COc2ccccc2O1
BDBM50414756 CCOc1ccccc1N1CCN(CC(O)CN2CCC(C2=O)(c2ccccc2)c2ccccc2)CC1
BDBM50417057 CCOC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1
BDBM50417058 CCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1
BDBM50417059 CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2F)C(C1=O)(c1ccccc1)c1ccccc1
BDBM50417060 COc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
BDBM50417061 CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
BDBM50417062 COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C(C1=O)(c1ccccc1)c1ccccc1
BDBM50417063 COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1
BDBM50417064 COC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1
BDBM50417065 CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1
BDBM50416773 COc1ccccc1N1CCN(CC2OCC(O2)(c2ccccc2)c2ccccc2)CC1
BDBM50416774 COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3C(=O)CCCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416775 COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3C(=O)CC4(CCCC4)CC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416776 COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3C(=O)CC4(CCCC4)CC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416777 COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50415772 CCOc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50415773 CC(C)Oc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50415774 C(COc1ccccc1-c1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50415775 C(COc1ccc(cc1)-c1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50416778 COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416779 COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416780 COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416781 COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCCCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416782 COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCCCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416783 COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3C(=O)CCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50417538 COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O |r|
BDBM50417539 COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O |r|
BDBM50417540 COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O |r|
BDBM50417541 COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O |r|
BDBM50417542 COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O |r|
BDBM50415776 COc1ccccc1OCCNCC1CSC(O1)(c1ccccc1)c1ccccc1
BDBM50415777 COc1ccccc1OCCNCC1CSC(S1)(c1ccccc1)c1ccccc1
BDBM50415780 Cc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50415781 COc1ccccc1CCCNCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50415782 COc1cccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1
BDBM50415784 COc1cccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1OC
BDBM50415785 COc1ccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)cc1OC
BDBM50415786 COc1cc(OC)cc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1
BDBM50415787 C(COc1cccc(c1)-c1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50416784 COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3C(=O)CCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416785 COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3C(=O)CCCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50417066 OC(CN1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1)CN1CCN(CC1)c1ccccc1
BDBM50417067 COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1
BDBM50417068 CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1
BDBM50416853 COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416854 COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1
BDBM50416855 COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1
BDBM50416856 COc1cccc(OC)c1S(=O)CCNCCOc1ccccc1OCc1ccccc1
BDBM50416857 CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416858 COc1cccc(c1OCCNCCOc1ccccc1OCc1ccccc1)[N+]([O-])=O
BDBM50416859 COc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416860 COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416861 CCOc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416862 COc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416863 Clc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416864 Cc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416865 Oc1cccc(O)c1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416866 C(COc1ccccc1)NCCOc1ccccc1OCc1ccccc1
BDBM50412774 C(COc1ccccc1)NC[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
BDBM50412775 C(COc1ccccc1)NC[C@@H]1COC[C@H](O1)c1ccccc1 |r|
BDBM50412776 COc1cccc(OC)c1OCCNC[C@@H]1CO[C@@H](CO1)c1ccccc1 |r|
BDBM50412777 COc1cccc(OC)c1OCCNC[C@@H]1CO[C@H](CO1)c1ccccc1 |r|
BDBM50412778 COc1ccccc1OCCNC[C@@H]1CO[C@@H](CO1)c1ccccc1 |r|
BDBM50412779 COc1ccccc1OCCNC[C@@H]1CO[C@H](CO1)c1ccccc1 |r|
BDBM50412780 C(COc1ccccc1)NC[C@@H]1CO[C@@H](CO1)c1ccccc1 |r|
BDBM50412781 C(COc1ccccc1)NC[C@@H]1CO[C@H](CO1)c1ccccc1 |r|
BDBM50412782 COc1cccc(OC)c1OCCNC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50412783 COc1ccccc1OCCNC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50412784 C(COc1ccccc1)NC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50412785 COc1cccc(OC)c1OCCNC[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1 |r|
BDBM50412786 COc1ccccc1OCCNC[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1 |r|
BDBM50412787 C(COc1ccccc1)NC[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1 |r|
BDBM50412788 COc1cccc(OC)c1OCCNC[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
BDBM50412789 COc1cccc(OC)c1OCCNC[C@@H]1COC[C@H](O1)c1ccccc1 |r|
BDBM50412790 COc1ccccc1OCCNC[C@@H]1COC[C@H](O1)c1ccccc1 |r|
BDBM50412773 COc1ccccc1OCCNC[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
BDBM50411349 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccs1
BDBM50411350 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(Br)o1
BDBM50411351 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(C)o1
BDBM50411353 COc1ccc(o1)C(=O)N1CCN([C@@H]2CCCC[C@H]12)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50411354 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(o1)C(C)=O
BDBM50426619 CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1ncn(C)n1
BDBM50419700 O[C@@H](CNCCc1ccc(CNCCc2c(Cl)cccc2Cl)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419701 O[C@@H](CNCCc1ccc(CNCCc2ccccc2F)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419702 O[C@@H](CNCCc1cccc(CNCCCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419703 O[C@@H](CNCCc1cccc(CNCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419704 COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1 |r|
BDBM50419706 O[C@@H](CNCCCc1cccc(CNCCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419711 COc1ccccc1N1CCN(CC2CCC(C2=O)(c2ccccc2)c2ccccc2)CC1
BDBM50419712 O[C@@H]1[C@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 |r|
BDBM50419713 COc1ccccc1OCCNC[C@H]1CCC([C@@H]1O)(c1ccccc1)c1ccccc1 |r|
BDBM50419714 COc1ccccc1N1CCN(C[C@H]2CCC([C@H]2O)(c2ccccc2)c2ccccc2)CC1 |r|
BDBM50419715 COc1ccccc1N1CCN(C[C@H]2CCC([C@@H]2O)(c2ccccc2)c2ccccc2)CC1 |r|
BDBM50419716 COc1ccccc1N1CCN(CC2COC(O2)(c2ccccc2)c2ccccc2)CC1
BDBM50419717 C(COc1ccccc1)NCC1CCC(O1)(c1ccccc1)c1ccccc1
BDBM50419718 COc1ccccc1N1CCN(CC2CCC(O2)(c2ccccc2)c2ccccc2)CC1
BDBM50419719 O=C1C(CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1
BDBM50419720 COc1ccccc1OCCNCC1CCC(C1=O)(c1ccccc1)c1ccccc1
BDBM50419721 O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 |r|
BDBM50419722 COc1ccccc1OCCNCC1CCC(O1)(c1ccccc1)c1ccccc1
BDBM50418745 CC(C)(C)c1ccc(cc1)N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
BDBM50418746 CCC(C)c1ccc(cc1)N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
BDBM50418747 COc1ccccc1N1CCN(CCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418748 Clc1ccccc1N1CCN(CCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418749 COc1ccccc1N1CCN(CCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418750 Clc1ccccc1N1CCN(CCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418751 COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418752 COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418753 Clc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418754 COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418755 COc1ccccc1N1CCN(CCCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418756 COc1ccccc1N1CCN(CCN2C(=O)CC(CC2=O)c2ccc(Cl)cc2)CC1
BDBM50418757 Clc1ccc(cc1)C1CC(=O)N(CCN2CCN(CC2)c2ccccc2Cl)C(=O)C1
BDBM50418758 COc1ccccc1N1CCN(CCCN2C(=O)CC(CC2=O)c2ccc(Cl)cc2)CC1
BDBM50418759 Clc1ccc(cc1)C1CC(=O)N(CCCN2CCN(CC2)c2ccccc2Cl)C(=O)C1
BDBM50419659 COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
BDBM50419660 COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
BDBM50419661 COCCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
BDBM50419662 O[C@@H](CNCCc1cccc(CN2CCCC2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419663 CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419664 O[C@@H](CNCCOc1cccc(CNCCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419665 COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
BDBM50419666 OCc1cc(ccc1O)[C@@H](O)CNCCc1ccc(CNCCc2ccccc2)cc1 |r|
BDBM50419667 COc1ccccc1CNCc1ccc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
BDBM50419668 O[C@@H](CNCCc1cccc(CNCCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419669 O[C@@H](CNCCc1cccc(CNCCc2ccccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419670 O[C@@H](CNCCc1cccc(CNCCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419671 COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
BDBM50419672 COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
BDBM50419673 O[C@@H](CNCCc1ccc(CNCCc2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419674 Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12 |r|
BDBM50419675 Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 |r|
BDBM50419676 O[C@@H](CNCCc1ccc(CNCCc2ccccn2)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419677 O[C@@H](CNCCc1ccccc1CNCCc1ccccc1F)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419678 CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 |r|
BDBM50419679 O[C@@H](CNCCc1cccc(CNCCCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419680 COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
BDBM50419681 COc1ccccc1CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
BDBM50419682 O[C@@H](CNCCc1cccc(CNCc2ccccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419683 O[C@@H](CNCCc1cccc(CNCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419684 COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 |r|
BDBM50419685 CCOc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
BDBM50419686 O[C@@H](CNCCc1cccc(CNCCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50419689 O[C@@H](CNCCc1cccc(CNCCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418760 COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccc(Cl)cc2)CC1
BDBM50418761 COc1ccccc1N1CCN(CCCN2C(=O)CC(CC2=O)c2ccc(cc2)[N+]([O-])=O)CC1
BDBM50418762 COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccc(cc2)[N+]([O-])=O)CC1
BDBM50418763 COc1ccccc1N1CCN(CCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1
BDBM50418764 COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1
BDBM50418765 COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1
BDBM50418766 COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1
BDBM50418767 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc34)CC2=O)CC1
BDBM50418768 COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc34)CC2=O)CC1
BDBM50418769 COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc34)CC2=O)CC1
BDBM50418771 CC(C)c1ccc(cc1)N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
BDBM50418772 CCCCc1ccc(cc1)N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
BDBM50421591 Cc1ccnc(c1)-c1ccccc1OCC1=NCCN1 |t:17|
BDBM50421592 C(Oc1ccccc1-c1ccccn1)C1=NCCN1 |t:16|
BDBM50421593 C(Oc1ccccc1-c1ccc[nH]1)C1=NCCN1 |t:15|
BDBM50421594 C(Oc1ccccc1-c1cccnc1)C1=NCCN1 |t:16|
BDBM50421595 Cc1ccoc1-c1ccccc1OCC1=NCCN1 |t:16|
BDBM50421596 Cc1ncoc1-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50421597 C(Nc1ccccc1-c1ccno1)C1=NCCN1 |t:15|
BDBM50421598 C(Nc1ccccc1-c1cnco1)C1=NCCN1 |t:15|
BDBM50421599 C(Nc1ccccc1-c1ncco1)C1=NCCN1 |t:15|
BDBM50421600 C(Nc1ccccc1-c1ncccn1)C1=NCCN1 |t:16|
BDBM50421601 C(Nc1ccccc1-c1ccccn1)C1=NCCN1 |t:16|
BDBM50421602 CO\N=C\c1ccccc1NCC1=NCCN1 |t:13|
BDBM50421640 Cn1nccc1-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50421641 C(Nc1ccccc1-c1cc[nH]n1)C1=NCCN1 |t:15|
BDBM50421512 CNC(=O)c1ccccc1NCC1=NCCN1 |t:13|
BDBM50421513 CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 |t:16|
BDBM50421514 O=C(NC1CC1)c1ccccc1NCC1=NCCN1 |t:16|
BDBM50421515 CCCCNC(=O)c1ccccc1NCC1=NCCN1 |t:16|
BDBM50421516 CC(C)OC(=O)c1ccccc1NCC1=NCCN1 |t:15|
BDBM50421517 CCN(C)C(=O)c1ccccc1NCC1=NCCN1 |t:15|
BDBM50421575 CSc1ccccc1NCc1cnc[nH]1
BDBM50421576 CCCNC(=O)c1ccccc1NCc1cnc[nH]1
BDBM50421577 CCCNC(=O)c1ccccc1NCC1=NCCN1 |t:15|
BDBM50421578 C(Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|
BDBM50421579 C(Oc1ccccc1-c1ccccc1)c1cnc[nH]1
BDBM50421580 CSc1ccccc1NCC1=NCCN1 |t:11|
BDBM50422378 COc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccccc2OC)c1
BDBM50422379 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1C(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50422380 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccc(c2)C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)c1
BDBM50422381 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(cc2)C(=O)N2CCN(CC2)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1
BDBM50422382 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1C(=O)N(C)CCCCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50422383 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(cc2)C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1
BDBM50422384 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccc(c2)C(=O)N2CCN(CC2)c2nc(N)c3cc(OC)c(OC)cc3n2)c1
BDBM50435344 COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50445614 CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
BDBM50023191 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCN(C)Cc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023192 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCN(C)C)ccc4sc3c2=O)CC1
BDBM50023193 COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)c5ccccc5)ccc4sc3c2=O)CC1
BDBM50023194 COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)Cc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023195 COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)CCCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023196 COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)CCCC(=O)NCCc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023197 COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)CCCNC(=O)Cc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023199 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4sc3c2=O)CC1
BDBM50023200 COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4sc3c2=O)CC1
BDBM50023183 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)c5ccccc5)ccc4sc3c2=O)CC1
BDBM50023184 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)Cc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023185 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023186 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCCc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023187 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023188 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023189 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)N(C)Cc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023190 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCCc5ccccc5)ccc4sc3c2=O)CC1
BDBM186957 C[C@@H]1Cc2ccccc2N1C(=O)CN1CCO[C@H](COc2cccnc2C)C1 |r|
BDBM186962 CC1Cc2ccccc2N1C(=O)CN1CCO[C@H](COc2cccc(Cl)c2)C1 |r|
BDBM186963 CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cccc(Cl)c2)C1 |r|
BDBM186964 CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2ccccc2C)C1 |r|
BDBM186927 C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc12 |r|
BDBM186935 Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
BDBM186937 COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
BDBM50103891 Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1
BDBM50103892 COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1
BDBM50103893 Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1
BDBM50103896 C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12
BDBM50140053 Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50091348 CCN(CC)c1ccc2cc(-n3cc(CN4CCN(CC4)c4nc(N)c5cc(OC)c(OC)cc5n4)nn3)c(=O)oc2c1
BDBM50091349 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(6.4,-19.42,;5.33,-20.04,;4,-19.27,;3.99,-17.71,;2.66,-16.94,;2.67,-15.4,;1.34,-14.63,;.01,-15.4,;0,-16.94,;-1.07,-17.55,;1.33,-17.71,;1.33,-19.24,;2.67,-20.03,;2.66,-21.57,;1.59,-22.18,;1.34,-13.09,;.01,-12.32,;.01,-10.78,;1.34,-10.01,;2.67,-10.78,;2.67,-12.32,;1.34,-8.47,;2.41,-7.85,;0,-7.7,;0,-6.16,;-1.33,-5.39,;-1.33,-3.85,;0,-3.08,;1.34,-3.85,;1.34,-5.39,;2.67,-3.09,;2.68,-2.06,;3.74,-3.7,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,)|
BDBM50091350 CCN(CC)c1ccc2cc(-n3cc(nn3)C(=O)N3CCN(CC3)c3nc(N)c4cc(OC)c(OC)cc4n3)c(=O)oc2c1
BDBM50091352 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cc2ccc(O)cc2oc1=O
BDBM50099434 COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1
BDBM50099436 COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1
BDBM50099441 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)c3ccccc3)O2)CC1
BDBM50099442 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)c3ccccn3)O2)CC1
BDBM50099443 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)c3ccccc3)O2)CC1
BDBM50099444 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)c3ccc(cc3)C(F)(F)F)O2)CC1
BDBM50099445 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)c3ccco3)O2)CC1
BDBM50099453 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)C3CCCN3)O2)CC1
BDBM50099455 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)C(F)(F)F)O2)CC1
BDBM50099457 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(C)cc3)O2)CC1
BDBM50099459 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(OC(F)(F)F)cc3)O2)CC1
BDBM50099460 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(cc3)[N+]([O-])=O)O2)CC1
BDBM50099461 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccc(c3)[N+]([O-])=O)O2)CC1
BDBM50099473 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)Nc3ccccc3)O2)CC1
BDBM50099557 CCCCNC(=O)N1CCC2(CC1)OCC(CN1CCN(CC1)c1ccccc1OC)O2
BDBM50099565 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)NC(C)(C)C)O2)CC1
BDBM50108094 Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
BDBM50103894 COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1
BDBM50140054 Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50140055 Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50140056 Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50140058 C=CCN(CCc1c[nH]c2ccccc12)CC=C
BDBM50115122 Fc1ccc2c(c[nH]c2c1)C1CCN(CCCN2CCc3ccccc3C2)CC1
BDBM50099462 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccs3)O2)CC1
BDBM50099472 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(C)(=O)=O)O2)CC1
BDBM50103887 Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1
BDBM50103888 COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1
BDBM50099446 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)C3CCCCC3)O2)CC1
BDBM50099454 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(C)=O)O2)CC1
BDBM50099456 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccccc3)O2)CC1
BDBM50099458 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(Cl)cc3)O2)CC1
BDBM50091351 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cn(nn1)-c1cc2ccc(O)cc2oc1=O
BDBM50103889 Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12
BDBM50103890 COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12
BDBM50103895 COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12
BDBM50103897 Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1
BDBM50099435 COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1
BDBM50099437 COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1
BDBM50099439 COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1
BDBM50099440 COc1ccccc1N1CCN(CC2COC3(CCNCC3)O2)CC1
BDBM50172992 CCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
BDBM50164678 NC(=O)c1cc(Cl)cc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1
BDBM50164679 NC(=O)c1ccc(Cn2cc(Cl)cc(C(N)=O)c2=N)cc1Cl
BDBM50164687 C[C@H](c1cccc(c1)C#N)n1cc(Cl)cc(C(N)=O)c1=N |r|
BDBM50164686 CC(c1cccc(Cl)c1)n1cc(Cl)cc(C(N)=O)c1=N
BDBM50164737 NC(=O)c1cc(Br)cn(Cc2ccccc2)c1=N
BDBM50164738 NC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=N
BDBM50164767 NC(=O)c1cc(Cl)cn(Cc2ccccn2)c1=N
BDBM50164768 NC(=O)c1cc(Cl)cn(Cc2ccc(C#N)c(Cl)c2)c1=N
BDBM81993 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28|
BDBM50173106 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1c(C)ccc(C)c1C
BDBM50173107 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1c(C)cc(C)cc1C
BDBM50173109 CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccccc1OCc1ccccc1
BDBM50173110 CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccc(F)cc1Br
BDBM50173111 COc1cc(C)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
BDBM50173112 COc1ccc(F)cc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
BDBM50173113 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccc(F)cc1OCC(F)(F)F
BDBM50173114 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Cl)ccc1OCC(F)(F)F
BDBM50173115 CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1cc(C)ccc1OCC(F)(F)F
BDBM50173116 CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1cc(Cl)ccc1OCC(F)(F)F
BDBM50164682 NC(=O)c1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1
BDBM50164680 CCNC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N
BDBM50164681 NC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N
BDBM50164683 C[C@@H](c1cccc(c1)C#N)n1cc(Cl)cc(C(N)=O)c1=N |r|
BDBM50164684 CS(=O)(=O)c1ccc(Cn2cc(Cl)cc(C(N)=O)c2=N)cc1Cl
BDBM50164685 CC(c1cccc(c1)S(C)(=O)=O)n1cc(Cl)cc(C(N)=O)c1=N
BDBM50164688 CC(c1cccc(c1)C#N)n1cc(Cl)cc(C(N)=O)c1=N
BDBM50164689 NC(=O)c1cc(Cl)cn(-c2ccccc2)c1=N
BDBM50172991 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccc2OCOc2c1
BDBM50164735 CN(C)C(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N
BDBM50164736 NC(=O)c1cccn(Cc2ccccc2)c1=N
BDBM50164739 NC(=O)c1cc(Cl)cn(Cc2cccc(Cl)c2)c1=N
BDBM50164740 COc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1
BDBM50164741 Cc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1
BDBM50164742 NC(=O)c1cc(Cl)cn(CCc2ccccc2)c1=N
BDBM50164743 NC(=O)c1cc(Cl)cn(Cc2cc(Cl)ccc2C#N)c1=N
BDBM50164744 NC(=O)c1cc(Cl)cn(Cc2cccnc2)c1=N
BDBM50164745 NC(=O)c1cc(Cl)cn(Cc2cc(Cl)cc(c2)C#N)c1=N
BDBM50164761 NC(=O)c1cc(Cl)cn(Cc2ccccc2Cl)c1=N
BDBM50164764 NC(=O)c1cc(Cl)cn(CCCc2ccccc2)c1=N
BDBM50164765 CS(=O)(=O)c1cc(Cl)cc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1
BDBM50164769 CS(=O)(=O)c1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N
BDBM50164690 CC(C)(C)Cn1cc(Cl)cc(C(N)=O)c1=N
BDBM50164731 CS(=O)(=O)c1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1
BDBM50164733 NC(=O)c1cc(Cl)cn(Cc2ccco2)c1=N
BDBM50164732 NC(=O)c1cc(Cl)cn(Cc2cccc(c2)C#N)c1=N
BDBM50164734 NC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=O
BDBM50172990 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccc(F)cc1Br
BDBM50173001 CCc1ccccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
BDBM50173118 CCc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
BDBM50173004 COc1ccc(F)cc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
BDBM50173101 CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccccc1OCC(F)(F)F
BDBM50173002 COc1ccccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
BDBM50173003 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
BDBM50173005 COc1cc(F)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
BDBM50173006 COc1cc(Cl)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
BDBM50173099 C[C@@H](Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1cc(C)ccc1OCC(F)(F)F |r|
BDBM50173100 COc1cc(Br)ccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
BDBM50173102 CCc1ccc(OCCNC(C)Cc2cc3CCN(CCCO)c3c(c2)C(N)=O)c(OC)c1
BDBM50173104 COc1cc(F)ccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
BDBM50173103 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1c(C)cccc1C
BDBM50173108 C[C@H](Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1cc(C)ccc1OCC(F)(F)F |r|
BDBM50173117 COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
BDBM50172993 CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc3CCN(CCCO)c3c(c2)C(N)=O)c1
BDBM50172994 C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Cl)ccc1OCC(F)(F)F |r|
BDBM50172995 C[C@@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Cl)ccc1OCC(F)(F)F |r|
BDBM50172996 CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3n(CCCO)ccc3c2)c1
BDBM50172997 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Br)ccc1OCC(F)(F)F
BDBM50172998 COc1cc(Br)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
BDBM50172999 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCc1ccccc1
BDBM50173000 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1C
BDBM50173105 COc1cc(Cl)ccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
BDBM50204306 [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
BDBM50204312 [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
BDBM50195267 COc1ccc2c3CC4N(CCc5cc6OCOc6cc45)Cc3[nH]c2c1
BDBM50195273 Oc1ccc2[nH]c3CN4CCc5cc6OCOc6cc5C4Cc3c2c1
BDBM50210794 COc1ccccc1N1CCN(CC2CSC3(CCCCC3)O2)CC1
BDBM50213346 Brc1c(NC2=NCCO2)ccc2nccnc12 |t:4|
BDBM50213348 Clc1c(NC2=NCCN2)ccc2nccnc12 |t:4|
BDBM50213350 Brc1c(NC2=NCCS2)ccc2nccnc12 |t:4|
BDBM50213351 Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 |t:9|
BDBM50213028 Brc1c(NC2=NCCN2)ccc2NCCNc12 |t:4|
BDBM50213029 C1CN=C(Nc2ccc3nccnc3c2)N1 |t:2|
BDBM50195271 [H][C@@]12Cc3c(CN1CCc1cc4OCOc4cc21)[nH]c1ccccc31 |r|
BDBM50195272 Fc1ccc2[nH]c3CN4CCc5cc6OCOc6cc5C4Cc3c2c1
BDBM50213349 [H][C@]12CCCC[C@@]1([H])N=C(Nc1ccc3nccnc3c1Br)N2 |t:9|
BDBM50195280 COc1cccc2[nH]c3CN4CCc5cc6OCOc6cc5C4Cc3c12
BDBM50195283 CCCOc1cc2C3Cc4c(CN3CCc2cc1OC)[nH]c1ccc(OC)cc41
BDBM50197059 COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1
BDBM50197548 CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1
BDBM50198338 CC(C)Oc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
BDBM50198439 CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1
BDBM50200441 CCOc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1
BDBM50200566 CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1
BDBM50201787 COc1ccccc1N1CCN(CCc2ccccc2)CC1
BDBM50201789 COc1cccc(CCN2CCN(CC2)c2ccccc2OC(C)C)c1
BDBM50201790 CCOc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
BDBM50201791 COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1OC
BDBM50210788 COc1cccc(OC)c1OCCNCC1COC2(CCCCC2)O1
BDBM50210789 COc1ccccc1OCCNCC1CSC2(CCCCC2)S1
BDBM50210790 COc1ccccc1OCCNCC1COC2(CCCCC2)O1
BDBM50210791 COc1ccccc1OCCNCC1CSC2(CCCCC2)O1
BDBM50210792 C(COc1ccccc1)NCC1CSC2(CCCCC2)S1
BDBM50210793 C(COc1ccccc1)NCC1COC2(CCCCC2)O1
BDBM50210795 COc1ccccc1N1CCN(CC2CSC3(CCCCC3)S2)CC1
BDBM50210796 C(COc1ccccc1)NCC1CSC2(CCCCC2)O1
BDBM50195274 [H][C@@]12Cc3c(CN1CCc1cc4OCOc4cc21)[nH]c1ccc(OC)cc31 |r|
BDBM50195264 COc1ccc2[nH]c3CN4CCc5cc(OC)c(OCc6ccccc6)cc5C4Cc3c2c1
BDBM50195265 C1Oc2cc3CCN4Cc5[nH]c6ccccc6c5CC4c3cc2O1
BDBM50195275 COc1ccc2[nH]c3CN4CCc5cc6OCOc6cc5C4Cc3c2c1
BDBM50071684 CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1