2405 SMILES Strings for Free fatty acid receptor 1

Compound Name
SMILES String
Bc1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r|
Brc1ccc(COc2ccc(CC3SC(=O)NC3=O)cc2)cc1
Brc1cccc(COc2ccc(CC3SC(=O)NC3=O)cc2)c1
C=CCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc12
CC#CC(CC(O)=O)c1ccc(OC2CCCC2)cc1
CC#CC(CC(O)=O)c1ccc(OC2CCCc3nc(sc23)-c2ccc(C)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OC2CCc3cc(ccc23)-c2cccs2)cc1
CC#CC(CC(O)=O)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1
CC#CC(CC(O)=O)c1ccc(OCCc2ccccc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(C)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(CN3CCC(=CC3)c3ccccc3)cc2)cc1 |c:22|
CC#CC(CC(O)=O)c1ccc(OCc2ccc(CN3CCC(CC3)c3ccccc3)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(CN3CCN(CC3)c3ccc(F)cc3)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(CN3CCN(CC3)c3ccc(OCCCS(C)(=O)=O)cc3)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(CN3CCN(CC3)c3ccc(cc3)C(F)(F)F)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(CN3CCN(CC3)c3ccccc3)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(CN3CCc4ccccc4C3)c(c2)C2=CCCCC2)cc1 |t:34|
CC#CC(CC(O)=O)c1ccc(OCc2ccc(CN3CCc4ccccc4C3)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(cc2)C(=O)N2CCC3(CC2)C=Cc2ccccc32)cc1 |c:30|
CC#CC(CC(O)=O)c1ccc(OCc2ccc(cc2)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(cc2)C(=O)N2CCc3ccccc3C2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(cc2)C(=O)NC2CCCc3ccccc23)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(o2)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(o2)C(=O)N2CCc3ccccc3C2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(o2)C(=O)NC2CCCc3ccccc23)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCC3(CC2)C=Cc2ccccc32)cc1 |c:29|
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCCc3ccccc23)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(C)CC2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)C2CCCCC2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)c2ccc(C)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)c2ccc(cc2)C(C)(C)C)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)c2cccc(F)c2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)c2cccc(c2)[N+]([O-])=O)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)c2ccccc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)c2ccccc2F)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)c2ccccc2[N+]([O-])=O)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)c2ccccn2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)c2cccnc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)c2ccncc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCc3ccccc3C2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)NC2CCCc3ccccc23)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3nc(cn3c2)-c2ccc(C)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3nc(cn3c2)-c2ccc(C)cc2C)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3nc(cn3c2)-c2ccc(F)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3nc(cn3c2)-c2ccc(F)cc2F)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3nc(cn3c2)-c2ccc(cc2)C(C)C)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3nc(cn3c2)-c2ccc(cc2)C(F)(F)F)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3nc(cn3c2)-c2ccc(cc2)C2CCCCC2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3nc(cn3c2)-c2cccc(C)c2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3nc(cn3c2)-c2ccccc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3nc(cn3c2)-c2ccccc2C)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3nc(cn3c2)-c2ccccc2F)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OC5CCOCC5)cc4C)c3c2)nc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCC(O)CO)cc4C)c3c2)nc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCC5(C)CS(=O)(=O)C5)cc4C)c3c2)nc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCC5CCS(=O)(=O)CC5)cc4C)c3c2)nc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCCC(C)(C)O)cc4C)c3c2)nc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3c2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3c2)nc1
CC#CC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cc(OCC3(C)COC3)cc2C)s1
CC#CC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cc(OCCCS(C)(=O)=O)cc2C)s1
CC#CC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cccc2C)s1
CC#CC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1
CC#CC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccccc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2cccc(c2)C2=CCC(=O)CC2)cc1 |t:21|
CC#CC(CC(O)=O)c1ccc(OCc2cccc(c2)C2=CCC(O)CC2)cc1 |t:21|
CC#CC(CC(O)=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1 |t:21|
CC#CC(CC(O)=O)c1ccc(OCc2ccccc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccccc2-c2ccccc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccn3cc(nc3c2)-c2cc(F)ccc2F)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccn3cc(nc3c2)-c2ccc(C)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccn3cc(nc3c2)-c2ccc(C)cc2C)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccn3cc(nc3c2)-c2ccc(F)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccn3cc(nc3c2)-c2ccc(F)cc2F)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccn3cc(nc3c2)-c2ccc(cc2)C(C)C)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccn3cc(nc3c2)-c2ccc(cc2)C(F)(F)F)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccn3cc(nc3c2)-c2ccc(cc2)C2CCCCC2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccn3cc(nc3c2)-c2cccc(C)c2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccn3cc(nc3c2)-c2ccccc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccn3cc(nc3c2)-c2ccccc2C)cc1
CC#CC(CC(O)=O)c1ccc(OCc2ccn3cc(nc3c2)-c2ccccc2F)cc1
CC#CC(CC(O)=O)c1ccc(OCc2cnc(s2)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2cnc(s2)C(=O)N2CCc3ccccc3C2)cc1
CC#CC(CC(O)=O)c1ccc(OCc2cnc(s2)C(=O)NC2CCCc3ccccc23)cc1
CC#CC(CC(O)=O)c1ccc(O[C@@H]2CCc3ccccc23)cc1 |r|
CC#CC(CC(O)=O)c1ccc(Oc2ccc(C#N)c3ccccc23)cc1
CC#CC(CC(O)=O)c1ccc(Oc2ccc(c3ccccc23)C(F)(F)F)cc1
CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2Br)C#N)cc1
CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2C)C(F)(F)F)cc1
CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2Cl)C#N)cc1
CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1F
CC#CC(CC(O)=O)c1ccc(Oc2cccc(c2)-c2ccccc2)cc1
CC#CC(CC(O)=O)c1ccc(Oc2ncc(Br)cn2)cc1
CC#CC(CC(O)=O)c1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1
CC#CC(CC(O)=O)c1ccc(Oc2nccc3ccccc23)cc1
CC#CC(CC(O)=O)c1ccc(Oc2nccnc2C#N)cc1
CC#CC(CC([O-])=O)c1ccc(OCc2cccc(c2)C2=CCC(O)CC2)cc1 |t:21|
CC#CC(CC([O-])=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1 |t:21|
CC#CC(CC([O-])=O)c1ccc(Oc2ccc(cc2)C2=CCC3(CC2)OCCO3)cc1 |t:20|
CC#CC(Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3c2)cc1
CC#CC(c1oc(=O)[nH]c1O)c1ccc(OCc2ccccc2)cc1
CC#CC(c1oc(=O)[nH]c1O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
CC#C[C@@H](CC(O)=O)c1ccc(COc2ccc3scc(-c4c(C)cccc4C)c3c2)cc1 |r,wD:3.7,(6.51,-4.86,;6.11,-3.38,;5.71,-1.89,;5.31,-.4,;6.4,.69,;7.89,.29,;8.98,1.38,;8.29,-1.2,;3.82,-0,;2.73,-1.09,;1.25,-.69,;.85,.79,;-.64,1.19,;-1.04,2.68,;-2.53,3.08,;-3,4.54,;-4.51,4.86,;-5.54,3.72,;-7.08,3.72,;-7.55,2.25,;-6.31,1.35,;-6.31,-.19,;-4.97,-.96,;-3.64,-.19,;-4.97,-2.5,;-6.31,-3.27,;-7.64,-2.5,;-7.64,-.96,;-8.98,-.19,;-5.06,2.25,;-3.56,1.93,;1.94,1.88,;3.42,1.48,)|
CC#C[C@@H](CC(O)=O)c1ccc(COc2ccc3scc(-c4ccc(OC5CCOC5)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(COc2ccc3scc(-c4ccc(OC5CCOCC5)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(COc2ccc3scc(-c4ccc(OCC(O)CO)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(COc2ccc3scc(-c4ccc(OCC5(C)COC5)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(COc2ccc3scc(-c4ccc(OCC5(C)CS(=O)(=O)C5)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(COc2ccc3scc(-c4ccc(OCC5CCS(=O)(=O)CC5)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(COc2ccc3scc(-c4ccc(OCCC(C)(C)O)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(COc2ccc3scc(-c4ccc(OCCCS(C)(=O)=O)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(COc2ccc3scc(-c4ccc(cc4C)C4=CCS(=O)(=O)CC4)c3c2)cc1 |r,t:29|
CC#C[C@@H](CC(O)=O)c1ccc(COc2ccc3scc(-c4ccc(cc4C)C4CCS(=O)(=O)CC4)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(COc2ccc3scc(-c4ccccc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(NC(=O)C(=O)Nc2cccc(c2)C(C)(C)C)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCCCOc2cccc(Cl)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCCOc2cccc(Cl)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@@H]2COc3ccc(Cl)cc3O2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3c(Cl)cccc3O2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3cc(Br)c(Cl)cc3O2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3cc(Cl)c(Cl)cc3O2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3cc(Cl)ccc3O2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3cc(F)c(Cl)cc3O2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(Br)cc3O2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(C)cc3O2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(CO)cc3O2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(F)cc3O2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(OC(C)C)cc3O2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(OC(F)(F)F)cc3O2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)-c2c(C)cccc2C)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)-c2ccc(C)cc2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)-c2ccc(Cl)c(Cl)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)-c2ccc(Cl)cc2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)-c2ccc(Cl)cc2Cl)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)-c2ccc(F)cc2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)-c2ccc(OC(F)(F)F)cc2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)-c2ccc(cc2)C#N)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)-c2ccc(cc2)C(F)(F)F)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)-c2cccc(Cl)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)-c2ccccc2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)-c2ccccc2Cl)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)-c2cccnc2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)C#N)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)C(=O)N(C)C)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)C(=O)N2CCOCC2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)C(C)=O)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)S(C)(=O)=O)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3cccc(Cl)c3O2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccccc3O2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cc(C)c(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1 |r,c:27|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cc(cn3ncnc23)-c2ccccc2C)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CCN3CCc4ccccc4C3)cc2)cc1
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CCN3Cc4ccccc4C3)cc2)cc1
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC(=CC3)c3ccc(F)cc3)cc2)cc1 |c:22|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC(=CC3)c3ccc(OCCCS(C)(=O)=O)cc3)cc2)cc1 |c:22|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC(=CC3)c3ccc(cc3)S(C)(=O)=O)cc2)cc1 |c:22|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC(=CC3)c3ccccc3)cc2)cc1 |c:22|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC(C3)c3ccccc3)cc2)cc1
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC(CC3)c3ccccc3)cc2)cc1
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC(CC3)c3noc(n3)C(C)C)cc2)cc1
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)c(C)c2)cc1 |r,c:26|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)c(Cl)c2)cc1 |r,c:26|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)c(F)c2)cc1 |r,c:26|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)c(c2)C(F)(F)F)cc1 |r,c:26|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1 |r,c:26|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1F |r,c:26|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)o2)cc1 |r,c:26|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1 |r,c:26|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc45)CC3)cc2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc45)CC3)s2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C(C)C)c5ccccc45)CC3)cc2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5c4cccc5Cl)CC3)cc2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5ccc(C)cc45)CC3)cc2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5ccc(cc45)C(F)(F)F)CC3)cc2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5ccccc45)CC3)cc2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(c5ccccc45)c4ccccc4)CC3)cc2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCN(CC3)c3ccc(F)cc3)cc2)cc1
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCN(CC3)c3ccc(O)cc3)cc2)cc1
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCN(CC3)c3ccc(OCCCS(C)(=O)=O)cc3)cc2)cc1
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCN(CC3)c3ccc(cc3)C(F)(F)F)cc2)cc1
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCN(CC3)c3ccc(cn3)C#N)cc2)cc1
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCN(CC3)c3nc4ccccc4s3)cc2)cc1
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCN(CC3)c3noc(n3)C(C)C)cc2)cc1
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCc4ccccc4C3)cc2)cc1
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3Cc4ccccc4C3)cc2)cc1
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(cc2)C(=O)N[C@@H]2CCCc3ccccc23)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CCCc3ccccc23)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(cc2)C(C)N2CCc3ccccc3C2)cc1
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(s2)N2CCC3(CCc4ccccc34)CC2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2c(C)cc(OCCCS(C)(=O)=O)cc2C)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2c(C)cccc2C)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2ccc(OC(F)F)cc2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2ccc(OCCC(C)(C)O)cc2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2ccc(cc2)C#N)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2ccc(cc2)C(C)C)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3sc(C)c(-c4ccc(OC5CCS(=O)(=O)CC5)cc4C)c3c2)cc1 |r,wD:3.7,(8.94,-3.65,;8.55,-2.17,;8.15,-.68,;7.75,.81,;8.84,1.9,;10.33,1.5,;11.41,2.59,;10.72,.01,;6.26,1.21,;5.17,.12,;3.68,.52,;3.29,2,;1.8,2.4,;1.4,3.89,;-.09,4.29,;-.56,5.75,;-2.07,6.07,;-3.1,4.93,;-4.64,4.93,;-5.12,3.46,;-6.45,2.69,;-3.87,2.56,;-4.27,1.07,;-5.76,.67,;-6.15,-.81,;-5.07,-1.9,;-5.46,-3.39,;-6.95,-3.79,;-8.04,-2.7,;-9.53,-3.1,;-9.93,-4.59,;-11.41,-4.19,;-10.33,-6.07,;-8.84,-5.68,;-7.35,-5.28,;-3.58,-1.5,;-3.18,-.02,;-1.69,.38,;-2.62,3.46,;-1.12,3.14,;4.38,3.09,;5.86,2.69,)|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4c(C)cccc4C)c3c2)cc1 |r,wD:3.7,(6.51,-4.86,;6.11,-3.38,;5.71,-1.89,;5.31,-.4,;6.4,.69,;7.89,.29,;8.98,1.38,;8.29,-1.2,;3.82,-0,;2.73,-1.09,;1.25,-.69,;.85,.79,;-.64,1.19,;-1.04,2.68,;-2.53,3.08,;-3,4.54,;-4.51,4.86,;-5.54,3.72,;-7.08,3.72,;-7.55,2.25,;-6.31,1.35,;-6.31,-.19,;-4.97,-.96,;-3.64,-.19,;-4.97,-2.5,;-6.31,-3.27,;-7.64,-2.5,;-7.64,-.96,;-8.98,-.19,;-5.06,2.25,;-3.56,1.93,;1.94,1.88,;3.42,1.48,)|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4c(C)cccc4NS(C)(=O)=O)c3c2)cc1 |r,wD:3.7,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$,(6.84,-5,;6.84,-3.47,;6.84,-1.93,;6.84,-.38,;8.18,.38,;9.51,-.38,;10.84,.38,;9.51,-1.93,;5.51,.38,;4.17,-.38,;2.84,.38,;2.84,1.93,;1.51,2.69,;.17,1.93,;-1.16,2.69,;-1.16,4.23,;-2.49,5,;-3.83,4.23,;-5.29,4.71,;-6.2,3.47,;-5.29,2.22,;-5.69,.73,;-4.6,-.36,;-3.11,.04,;-5,-1.84,;-6.49,-2.24,;-7.58,-1.15,;-7.18,.33,;-8.27,1.42,;-9.75,1.02,;-10.84,2.11,;-10.84,-.07,;-9.36,-.46,;-3.83,2.69,;-2.49,1.93,;4.17,2.69,;5.51,1.93,)|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4cc(Cl)ncc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4cc(Cl)ncc4C)c3c2)nc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4cc(NS(C)(=O)=O)ccc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4cc(ccc4C)S(C)(=O)=O)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(CC5CCNCC5)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(O)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OC5CCOCC5)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCC(O)CO)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCC5(C)COC5)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCC5(C)CS(=O)(=O)C5)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCC5(O)CCS(=O)(=O)CC5)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCC5CCOCC5)cc4C)c3c2)nc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCC5CCS(=O)(=O)CC5)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCC5CCS(=O)(=O)CC5)cc4C)c3c2)nc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCCC(C)(C)O)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCCC(C)(C)O)cc4C)c3c2)nc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCCC5(O)CC5)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCCCS(C)(=O)=O)cc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(cc4C)C(=O)N4CCS(=O)(=O)CC4)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(cc4C)C4=CCS(=O)(=O)CC4)c3c2)cc1 |r,t:29|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(cc4C)C4CCNCC4)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(cc4C)C4CCS(=O)(=O)CC4)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(cc4C)S(C)(=O)=O)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccccc4Br)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccccc4C(F)(F)F)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3c2)nc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccccc4Cl)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccccc4S(C)(=O)=O)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4cccnc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4nc(Cl)ccc4C)c3c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(C)Cc3ccsc3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(CC(C)C)Cc3ccsc3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(CC3CC3)Cc3ccsc3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(CCO)Cc3ccsc3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)=O)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)C)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CC3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCCC3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCCCC3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCN(C)CC3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCOCC3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCS(=O)(=O)CC3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCSCC3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)CC(F)(F)F)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)Cc3ccccc3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)Cc3ccncc3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)Cc3ccsc3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)S(=O)(=O)C3CC3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN3CCC4(CCc5ccccc45)CC3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CNCc3ccncc3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CNCc3ccsc3)c2)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cc(OCCCS(C)(=O)=O)cc2C)s1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(Cl)cc2C)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1 |t:21|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cnc(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1 |r,c:26|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2nc(C)c(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1 |r,c:27|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ncc(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1 |r,c:26|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2sc(CN3CCC4(CC3)C=Cc3ccccc43)nc2C)cc1 |r,c:25|
CC#C[C@@H](CC([O-])=O)c1ccc(OCc2ccc(CN3CCCc4ccccc34)cc2)cc1
CC#C[C@@H](CC([O-])=O)c1ccc(OCc2ccc(CN3CCN(CC3)c3ccc(cc3)C(F)(F)F)cc2)cc1
CC#C[C@@H](CC([O-])=O)c1ccc(OCc2ccc(CN3Cc4ccccc4C3)cc2)cc1
CC#C[C@@H](CC([O-])=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1 |t:21|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(C)c3scc(-c4ccccc4C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(C)c3scc(C4CCCC4)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(C)c3scc(C4CCCCC4)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(Cl)c3scc(-c4ccccc4C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(F)c3scc(-c4ccccc4C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc3c(csc3cn2)-c2ccccc2C)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3[S+]([O-])C=C(c3c2)c2ccccc2C)cc1 |r,c:23|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(Br)c(-c4ccccc4C)c3c2)cc1 |r,wD:3.10,(4.77,-5,;4.77,-3.47,;4.77,-1.93,;4.77,-.38,;6.1,.38,;7.44,-.38,;7.44,-1.93,;8.9,-2.4,;9.81,-1.15,;8.9,.09,;3.44,.38,;2.1,-.38,;.77,.38,;.77,1.93,;-.56,2.69,;-1.9,1.93,;-3.23,2.69,;-3.23,4.23,;-4.56,5,;-5.9,4.23,;-7.36,4.71,;-8.27,3.47,;-9.81,3.47,;-7.36,2.22,;-7.76,.73,;-9.25,.33,;-9.65,-1.15,;-8.56,-2.24,;-7.07,-1.84,;-6.67,-.36,;-5.19,.04,;-5.9,2.69,;-4.56,1.93,;2.1,2.69,;3.44,1.93,)|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C#N)c(-c4ccccc4C)c3c2)cc1 |r,wD:3.10,(5.54,-5,;5.54,-3.47,;5.54,-1.93,;5.54,-.38,;6.87,.38,;8.21,-.38,;8.21,-1.93,;9.67,-2.4,;10.58,-1.15,;9.67,.09,;4.21,.38,;2.87,-.38,;1.54,.38,;1.54,1.93,;.21,2.69,;-1.13,1.93,;-2.46,2.69,;-2.46,4.23,;-3.79,5,;-5.13,4.23,;-6.59,4.71,;-7.5,3.46,;-9.04,3.46,;-10.58,3.46,;-6.59,2.22,;-6.99,.73,;-8.48,.33,;-8.88,-1.15,;-7.79,-2.24,;-6.3,-1.84,;-5.9,-.36,;-4.42,.04,;-5.13,2.69,;-3.79,1.93,;2.87,2.69,;4.21,1.93,)|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C)c(-c4ccc(OC5CCS(=O)(=O)CC5)cc4C)c3c2)cc1 |r,wD:3.10,(8.24,-3.85,;7.84,-2.37,;7.45,-.88,;7.05,.61,;8.14,1.7,;9.62,1.3,;10.1,-.17,;11.64,-.17,;12.12,1.3,;10.87,2.2,;5.56,1.01,;4.47,-.08,;2.98,.32,;2.58,1.81,;1.1,2.2,;.7,3.69,;-.79,4.09,;-1.26,5.55,;-2.77,5.87,;-3.8,4.73,;-5.34,4.73,;-5.82,3.27,;-7.15,2.5,;-4.57,2.36,;-4.97,.87,;-6.46,.47,;-6.86,-1.01,;-5.77,-2.1,;-6.17,-3.59,;-7.65,-3.99,;-8.74,-2.9,;-10.23,-3.3,;-10.63,-4.79,;-12.12,-4.39,;-11.72,-5.87,;-9.54,-5.87,;-8.05,-5.48,;-4.28,-1.7,;-3.88,-.22,;-2.39,.18,;-3.33,3.27,;-1.82,2.95,;3.67,2.89,;5.16,2.5,)|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C)c(-c4ccccc4C)c3c2)cc1 |r,wD:3.10,(4.77,-5,;4.77,-3.47,;4.77,-1.93,;4.77,-.38,;6.1,.38,;7.44,-.38,;7.44,-1.93,;8.9,-2.4,;9.81,-1.15,;8.9,.09,;3.44,.38,;2.1,-.38,;.77,.38,;.77,1.93,;-.56,2.69,;-1.9,1.93,;-3.23,2.69,;-3.23,4.23,;-4.56,5,;-5.9,4.23,;-7.36,4.71,;-8.27,3.47,;-9.81,3.47,;-7.36,2.22,;-7.76,.73,;-9.25,.33,;-9.65,-1.15,;-8.56,-2.24,;-7.07,-1.84,;-6.67,-.36,;-5.19,.04,;-5.9,2.69,;-4.56,1.93,;2.1,2.69,;3.44,1.93,)|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(Cl)c(-c4ccc(OCC5(O)CCS(=O)(=O)CC5)cc4C)c3c2)cc1 |r,wD:3.10,(6.85,-6.07,;6.85,-4.53,;6.85,-2.99,;6.85,-1.45,;8.19,-.68,;9.52,-1.45,;9.52,-2.99,;10.99,-3.46,;11.89,-2.22,;10.99,-.97,;5.52,-.68,;4.19,-1.45,;2.85,-.68,;2.85,.86,;1.52,1.63,;1.52,3.17,;.18,3.94,;.18,5.48,;-1.15,6.25,;-2.48,5.48,;-3.95,5.96,;-4.85,4.71,;-6.39,4.71,;-3.95,3.47,;-4.35,1.98,;-5.83,1.58,;-6.23,.09,;-5.14,-.99,;-5.54,-2.48,;-7.03,-2.88,;-7.43,-4.37,;-6.34,-5.46,;-8.52,-3.28,;-10,-3.68,;-10.4,-5.17,;-11.89,-4.77,;-11.49,-6.25,;-9.31,-6.25,;-7.83,-5.86,;-3.66,-.6,;-3.26,.89,;-1.77,1.29,;-2.48,3.94,;-1.15,3.17,;4.19,1.63,;5.52,.86,)|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(Cl)c(-c4ccccc4C)c3c2)cc1 |r,wD:3.10,(4.77,-5,;4.77,-3.47,;4.77,-1.93,;4.77,-.38,;6.1,.38,;7.44,-.38,;7.44,-1.93,;8.9,-2.4,;9.81,-1.15,;8.9,.09,;3.44,.38,;2.1,-.38,;.77,.38,;.77,1.93,;-.56,2.69,;-1.9,1.93,;-3.23,2.69,;-3.23,4.23,;-4.56,5,;-5.9,4.23,;-7.36,4.71,;-8.27,3.47,;-9.81,3.47,;-7.36,2.22,;-7.76,.73,;-9.25,.33,;-9.65,-1.15,;-8.56,-2.24,;-7.07,-1.84,;-6.67,-.36,;-5.19,.04,;-5.9,2.69,;-4.56,1.93,;2.1,2.69,;3.44,1.93,)|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(F)c(-c4ccccc4C)c3c2)cc1 |r,wD:3.10,(4.77,-5,;4.77,-3.47,;4.77,-1.93,;4.77,-.38,;6.1,.38,;7.44,-.38,;7.44,-1.93,;8.9,-2.4,;9.81,-1.15,;8.9,.09,;3.44,.38,;2.1,-.38,;.77,.38,;.77,1.93,;-.56,2.69,;-1.9,1.93,;-3.23,2.69,;-3.23,4.23,;-4.56,5,;-5.9,4.23,;-7.36,4.71,;-8.27,3.47,;-9.81,3.47,;-7.36,2.22,;-7.76,.73,;-9.25,.33,;-9.65,-1.15,;-8.56,-2.24,;-7.07,-1.84,;-6.67,-.36,;-5.19,.04,;-5.9,2.69,;-4.56,1.93,;2.1,2.69,;3.44,1.93,)|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(I)c(-c4ccccc4C)c3c2)cc1 |r,wD:3.10,(4.77,-5,;4.77,-3.47,;4.77,-1.93,;4.77,-.38,;6.1,.38,;7.44,-.38,;7.44,-1.93,;8.9,-2.4,;9.81,-1.15,;8.9,.09,;3.44,.38,;2.1,-.38,;.77,.38,;.77,1.93,;-.56,2.69,;-1.9,1.93,;-3.23,2.69,;-3.23,4.23,;-4.56,5,;-5.9,4.23,;-7.36,4.71,;-8.27,3.47,;-9.81,3.47,;-7.36,2.22,;-7.76,.73,;-9.25,.33,;-9.65,-1.15,;-8.56,-2.24,;-7.07,-1.84,;-6.67,-.36,;-5.19,.04,;-5.9,2.69,;-4.56,1.93,;2.1,2.69,;3.44,1.93,)|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(c(-c4ccccc4C)c3c2)C(F)(F)F)cc1 |r,wD:3.10,(4.77,-5,;4.77,-3.47,;4.77,-1.93,;4.77,-.38,;6.1,.38,;7.44,-.38,;7.44,-1.93,;8.9,-2.4,;9.81,-1.15,;8.9,.09,;3.44,.38,;2.1,-.38,;.77,.38,;.77,1.93,;-.56,2.69,;-1.9,1.93,;-3.23,2.69,;-3.23,4.23,;-4.56,5,;-5.9,4.23,;-7.36,4.71,;-8.27,3.47,;-7.36,2.22,;-7.76,.73,;-9.25,.33,;-9.65,-1.15,;-8.56,-2.24,;-7.07,-1.84,;-6.67,-.36,;-5.19,.04,;-5.9,2.69,;-4.56,1.93,;-9.81,3.47,;-10.58,4.8,;-10.58,2.13,;-9.04,2.13,;2.1,2.69,;3.44,1.93,)|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(c(-c4ccccc4C)c3c2)S(C)(=O)=O)cc1 |r,wD:3.10,(5.54,-5,;5.54,-3.47,;5.54,-1.93,;5.54,-.38,;6.87,.38,;8.21,-.38,;8.21,-1.93,;9.67,-2.4,;10.58,-1.15,;9.67,.09,;4.21,.38,;2.87,-.38,;1.54,.38,;1.54,1.93,;.21,2.69,;-1.13,1.93,;-2.46,2.69,;-2.46,4.23,;-3.79,5,;-5.13,4.23,;-6.59,4.71,;-7.5,3.47,;-6.59,2.22,;-6.99,.73,;-8.48,.33,;-8.88,-1.15,;-7.79,-2.24,;-6.3,-1.84,;-5.9,-.36,;-4.42,.04,;-5.13,2.69,;-3.79,1.93,;-9.04,3.47,;-10.58,3.47,;-9.04,5,;-9.04,1.93,;2.87,2.69,;4.21,1.93,)|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(c(C4CC4)c3c2)C(F)(F)F)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4c(C)cccc4C)c3c2)cc1 |r,wD:3.10,(5.8,-4.86,;5.41,-3.38,;5.01,-1.89,;4.61,-.4,;5.7,.69,;7.19,.29,;7.66,-1.18,;9.2,-1.18,;9.68,.29,;8.43,1.19,;3.12,-0,;2.03,-1.09,;.55,-.69,;.15,.79,;-1.34,1.19,;-1.74,2.68,;-3.23,3.08,;-3.7,4.54,;-5.21,4.86,;-6.24,3.72,;-7.78,3.72,;-8.26,2.25,;-7.01,1.35,;-7.01,-.19,;-5.68,-.96,;-4.34,-.19,;-5.68,-2.5,;-7.01,-3.27,;-8.34,-2.5,;-8.34,-.96,;-9.68,-.19,;-5.76,2.25,;-4.26,1.93,;1.24,1.88,;2.72,1.48,)|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cc(Cl)ncc4C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cc(NS(C)(=O)=O)ccc4C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OC5CCOCC5)cc4C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCC(O)CO)cc4C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCC5(C)CS(=O)(=O)C5)cc4C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCCC(C)(C)O)cc4C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCCC(C)(C)O)cc4C)c3c2)nc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCCCS(C)(=O)=O)cc4C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(cc4C)C4CCS(=O)(=O)CC4)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(cc4C)S(C)(=O)=O)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cccc5OC(C)(C)CCc45)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cccc5OCCOc45)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4Br)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4C(F)(F)F)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3c2)nc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3n2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4Cl)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cccnc4C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccnn4C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cncnc4C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4nccnc4C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ncnn4C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(C(C)C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(C4CC4)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(C4CCCC4)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(C4CCCCC4)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(N4CCCCC4C)c3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sccc3c2)cc1 |r|
CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cnc3scc(-c4ccccc4C)c3c2)cc1 |r|
CC#C[C@@H](c1oc(=O)[nH]c1O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1 |r|
CC#C[C@@]1(C[C@@H]1C(O)=O)c1ccc(Oc2ccc(cc2Cl)C(F)(F)F)cc1 |r|
CC#C[C@@]1(C[C@H]1C(O)=O)c1ccc(Oc2ccc(cc2Cl)C(F)(F)F)cc1 |r|
CC#C[C@H](CC(O)=O)c1ccc(COc2ccc3scc(-c4ccc(OCC5CCS(=O)(=O)CC5)cc4C)c3c2)nc1 |r|
CC#C[C@H](CC(O)=O)c1ccc(OC[C@@H]2COc3ccc(Cl)cc3O2)cc1 |r|
CC#C[C@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1 |r|
CC#C[C@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1 |r,c:26|
CC#C[C@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1F |r,c:26|
CC#C[C@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc45)CC3)cc2)cc1
CC#C[C@H](CC(O)=O)c1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 |r|
CC#C[C@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCC5CCOCC5)cc4C)c3c2)nc1 |r|
CC#C[C@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCC5CCS(=O)(=O)CC5)cc4C)c3c2)nc1 |r|
CC#C[C@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccc(OCCC(C)(C)O)cc4C)c3c2)nc1 |r|
CC#C[C@H](CC(O)=O)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3c2)cc1 |r|
CC#C[C@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cc(OCCCS(C)(=O)=O)cc2C)s1 |r|
CC#C[C@H](CC(O)=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1 |t:21|
CC#C[C@H](CC([O-])=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1 |t:21|
CC#C[C@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3c2)cc1 |r|
CC#C[C@H](c1oc(=O)[nH]c1O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1 |r|
CC(=C)C#Cc1ccc(CCC(O)=O)c(F)c1
CC(=C)C#Cc1ccc(CCC(O)=O)cc1
CC(=C)CCOc1ccc(cc1)C(CC(O)=O)c1ccccc1
CC(=O)Nc1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)cc1 |r|
CC(=O)Nc1cccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
CC(C(O)=O)c1ccc(NCc2ccc(cc2)-c2ccccc2)cc1
CC(C(O)=O)c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
CC(C)(C)c1ccc(cc1)-c1cccc(COc2ccc(cc2)C#CC(O)=O)c1
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(N)c(c1)C(F)(F)F
CC(C)(C)c1cccc(OCC(=O)Nc2ccc(OCC(O)=O)c(F)c2)c1
CC(C)(C)c1cccc(OCCCOc2ccc3C(CC(O)=O)COc3c2)c1
CC(C)(C)c1cccc(OCCOc2ccc3C(CC(O)=O)COc3c2)c1
CC(C)(C)c1ccccc1Oc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
CC(C)(O)CCCc1ccc(C#N)c(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
CC(C)(O)CCCc1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)cc1 |r|
CC(C)(O)CCCc1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)nc1 |r|
CC(C)(O)CCOc1ccc(C#N)c(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
CC(C)(O)CCOc1ccc(F)c(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
CC(C)(O)CCOc1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)c(F)c1 |r|
CC(C)(O)CCOc1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)c(c1)C#N |r|
CC(C)(O)CCOc1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)cc1 |r|
CC(C)(O)CCOc1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)cc1C#N |r|
CC(C)(O)CCOc1ccc(cc1)-c1cc(CNc2ccc(nc2)[C@H]2CC2C(O)=O)ccc1C(F)(F)F |r|
CC(C)(O)CCc1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)c(c1)C#N |r|
CC(C)(O)CCn1ccc2cc(Oc3ccc(F)c4[C@@H](CCc34)Oc3ccc4[C@H](CC(O)=O)COc4c3)ccc12 |r|
CC(C)(O)CCn1ncc2cc(Oc3ccc(F)c4[C@@H](CCc34)Oc3ccc4[C@H](CC(O)=O)COc4c3)ccc12 |r|
CC(C)(O)CCn1ncc2ccc(Oc3ccc(F)c4[C@@H](CCc34)Oc3ccc4[C@H](CC(O)=O)COc4c3)cc12 |r|
CC(C)(O)COc1cc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)ccc1C#N |r|
CC(C)(O)COc1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)cc1 |r|
CC(C)(O)Cn1cc(cn1)-c1c(F)cc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)cc1F |r|
CC(C)(O)Cn1cc(cn1)-c1cc(F)c(O)cc1F
CC(C)(O)Cn1cc(cn1)-c1cc(F)c(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)c(F)c1 |r|
CC(C)(O)Cn1cc(cn1)B1OC(C)(C)C(C)(C)O1
CC(C)(Oc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1)C(O)=O
CC(C)C(=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O
CC(C)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
CC(C)CC(=O)c1c(O)cc(O)c(C(=O)CC(C)C)c1O
CC(C)CCOc1ccc(cc1)C(CC(O)=O)c1ccccc1
CC(C)COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
CC(C)COc1cc(COc2ccc(CCC(O)=O)c(F)c2)cc(c1)-c1c(C)noc1C
CC(C)COc1ccc(C)c(c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
CC(C)Cc1cc(CCC(O)=O)ccc1OCc1ccccc1SC(F)(F)F
CC(C)Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc12
CC(C)NC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
CC(C)NC(=O)CCc1ccc(NCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1
CC(C)NC(=O)[C@H]1C[C@@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
CC(C)NC(=O)[C@H]1C[C@@H]1c1ccc(NCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1
CC(C)Nc1ccccc1-c1cc(F)c(OCCCC(O)=O)c(F)c1
CC(C)Oc1cc(C)cc(COc2ccc(CCC(O)=O)cc2C)c1
CC(C)Oc1cc(COc2ccc(CCC(O)=O)c(F)c2)cc(c1)-c1c(C)noc1C
CC(C)Oc1ccc(C)cc1COc1ccc(CCC(O)=O)cc1C
CC(C)Oc1ccccc1COc1ccc(CCC(O)=O)cc1C
CC(C)Oc1ccccc1OC1CC(COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)C1 |r,wU:23.25,wD:22.23,(-8.95,4.39,;-8.95,2.85,;-10.28,2.08,;-7.61,2.08,;-7.61,.54,;-8.95,-.23,;-8.95,-1.77,;-7.61,-2.54,;-6.28,-1.77,;-6.28,-.23,;-4.94,.54,;-3.61,-.23,;-2.12,.17,;-1.72,-1.31,;-.39,-2.08,;.94,-1.31,;2.28,-2.08,;2.28,-3.62,;3.61,-4.39,;4.94,-3.62,;4.94,-2.08,;3.61,-1.31,;6.28,-1.31,;7.61,-2.08,;7.61,-3.62,;8.95,-1.31,;10.28,-2.08,;8.95,.23,;6.28,.23,;7.05,1.56,;5.51,1.56,;-3.21,-1.71,)|
CC(C)c1ccc(F)c(c1)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:27|
CC(C)c1cccc(OCC(=O)Nc2ccc(OCC(O)=O)c(F)c2)c1
CC(C)c1ccccc1-c1cc2cc(CCC(O)=O)ccc2[nH]1
CC(C)c1ccccc1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
CC(C)c1ccccc1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r|
CC(C)c1ccccc1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r|
CC(C)c1ccccc1-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
CC(C)c1ccccc1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
CC(C)c1ccccc1-c1cccc(COc2ccc(cc2)C#CC(O)=O)c1
CC(C)c1ccccc1-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
CC(C)n1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc12
CC(CC(O)=O)c1cc2cc(ccc2o1)-c1cc(OC(F)(F)F)ccc1F
CC(CC(O)=O)c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
CC(CC(O)=O)c1ccc(NCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1
CC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cccc2C)cc1
CC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cccc2C)nc1
CC(CC(O)=O)c1ccc(OCc2ccccc2SC(F)(F)F)cc1
CC(CC(O)=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
CC(CC(O)=O)c1ccc(cc1)-c1cc2n(nc(C)c2cn1)-c1ccccn1
CC(Cc1cc2cc(ccc2o1)-c1cc(OC(F)(F)F)ccc1F)C(O)=O
CC(Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1)C(O)=O
CC(Cc1ccc(NCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1)C(O)=O
CC(Cc1ccc(OCc2cccc(c2)-c2c(C)cccc2C)cc1)C(O)=O
CC(Cc1ccc(OCc2cccc(c2)-c2c(C)cccc2C)nc1)C(O)=O
CC(N1CC(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)C1)c1cc(Cl)ccc1Cl |r|
CC(N1CC(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)C1)c1cc(F)ccc1Cl |r|
CC(N1CC(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)C1)c1cc(F)ccc1F |r|
CC(N1CC(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)C1)c1cc(ccc1C(F)(F)F)C(F)(F)F |r|
CC(N1CC(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)C1)c1cc(ccc1C)C(F)(F)F |r|
CC(N1CC(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)C1)c1cc(ccc1C1CC1)C(F)(F)F |r|
CC(N1CC(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)C1)c1cc(ccc1Cl)C(F)(F)F |r|
CC(N1CC(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)C1)c1ccccc1C(F)(F)F |r|
CC(N1CC(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)C1)c1ccccc1Cl |r|
CC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OCC(O)=O)c(F)c1
CC(Oc1ccc(CCC(O)=O)cc1)c1nc(no1)-c1ccc(Cl)cc1
CC(Oc1ccc(CCC(O)=O)cc1)c1nc(no1)-c1ccccc1
CC(Oc1ccc(CCC(O)=O)cc1)c1nc(no1)-c1cccs1
CC(Oc1ccc(OCc2cccc(c2)-c2c(C)cc(OCCCS(C)(=O)=O)cc2C)cc1)C(O)=O
CC(Oc1cccc(c1)C(C)(C)C)C(=O)Nc1ccc(OCC(O)=O)c(F)c1
CC(Oc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1)C1CN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)C1 |r|
CC(Oc1ccccc1)C(=O)Nc1ccc(OCC(O)=O)c(F)c1
CC(Oc1ccccc1F)C(=O)Nc1ccc(OCC(O)=O)c(F)c1
CC1(C)C2CCC1(C)C(C2)NCc1ccc(COc2ccc(CCC(O)=O)cc2)cc1 |THB:10:8:5.4:1|
CC1(C)CCC=C1c1cccc(c1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1 |r,c:5|
CC1(C)CN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)CC1COc1cccc(c1)[C@@H](CC(O)=O)C1CC1 |r|
CC1(C)Cc2cc(Cl)cc(N3CCC4(CCC(CC(O)=O)CC4)CC3)c2O1
CC1(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)CCN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)C1 |r|
CC1(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)CN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)C1 |r|
CCC(=O)N1CCc2c1cccc2-c1csc2ccc(COc3ccc(cc3)[C@H](Cc3nnn[nH]3)C#CC)cc12 |r|
CCC(C(O)=O)S(=O)(=O)c1ccc(OCc2cccc(c2)-c2c(C)cc(OC)cc2C)cc1
CCC(C)COc1ccc(cc1)C(CC(O)=O)c1ccccc1
CCC(C)c1nc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cnc1-c1cc(OC)ccc1F |r|
CCC(CC(O)=O)c1ccc(OCc2ccc(OC)cc2)cc1
CCC(CC)CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1 |r|
CCC(CC)CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1nc2ccccc2s1 |r|
CCC(CC)COc1ccc(cc1)C(CC(O)=O)c1ccccc1
CCC(N1CC(COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)C1)c1cc(ccc1C(F)(F)F)C(F)(F)F |r|
CCC1C(CC(O)=O)N(N=C1C(F)(F)F)c1ccc(Cc2ccc(cc2C)-c2cc(OC)ccc2F)cc1 |c:9|
CCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
CCCCCCCC#Cc1ccc(CCC(O)=O)cc1
CCCCCCCCCCCC(=O)c1c(O)cc(O)c(C(=O)CCCCCCCCCCC)c1O
CCCCCCCCCCCC(O)=O
CCCCCCCCc1sc(=O)[nH]c1O
CCCCCCCOc1ccc(cc1)C(CC(O)=O)c1ccccc1
CCCCCCOc1ccc(cc1)C(CC(O)=O)c1ccccc1
CCCCCOc1ccc(cc1)C(CC(O)=O)c1ccccc1
CCCCCOc1cccc(c1)C(CC(O)=O)c1ccccc1
CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O
CCCCC\C=C\C\C=C\C\C=C\CCCCC(O)=O
CCCCOc1cc(COc2ccc(CCC(O)=O)c(F)c2)cc(c1)-c1c(C)noc1C
CCCCOc1ccc(cc1)C(CC(O)=O)c1ccc(cc1)C(F)(F)F
CCCCOc1ccc(cc1)C(CC(O)=O)c1cccc(F)c1
CCCCOc1ccc(cc1)C(CC(O)=O)c1cccc(c1)C(F)(F)F
CCCCOc1ccc(cc1)C(CC(O)=O)c1ccccc1
CCCCOc1ccc(cc1)C(CC(O)=O)c1ccccc1O
CCCCOc1ccc(cc1)C(CC(O)=O)c1cccs1
CCCCOc1ccc(cc1)C(CCCC(O)=O)c1ccccc1
CCCCc1c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c1O
CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
CCCCc1csc2c(C)cc(COc3ccc(cc3)[C@H](Cc3nnn[nH]3)C#CC)cc12 |r|
CCCCc1nc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cnc1-c1cc(OC)ccc1F |r|
CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1cc2ccccc2o1 |r|
CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1 |r|
CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(OC)cc1 |r|
CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(OCc2ccccc2)cc1 |r|
CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(O[C@@H]2CC[C@H](C)CC2)cc1 |r,wU:5.5,wD:4.18,22.23,25.27,(-1.08,-.84,;-2.42,-.08,;-2.42,1.46,;-3.76,2.23,;-3.76,3.78,;-5.12,4.56,;-5.12,6.1,;-3.79,6.88,;-6.46,6.86,;-6.45,3.77,;-7.79,4.53,;-9.11,3.76,;-9.12,2.22,;-7.79,1.45,;-6.44,2.21,;-5.1,1.45,;-5.1,-.09,;-2.44,4.55,;-1.1,3.78,;.23,4.56,;.22,6.1,;1.55,6.87,;2.89,6.11,;4.2,6.88,;5.54,6.11,;5.55,4.57,;6.88,3.8,;4.21,3.8,;2.88,4.56,;-1.12,6.86,;-2.45,6.08,)|
CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Oc2cc(C)cc(C)c2)cc1 |r|
CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Oc2ccc(C)c(C)c2)cc1 |r|
CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1 |r|
CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1cccc(Cl)c1 |r|
CCCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
CCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
CCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
CCCOc1cc(COc2ccc(CCC(O)=O)c(F)c2)cc(c1)-c1c(C)noc1C
CCCOc1ccc(C)c(c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
CCCOc1ccc(c(C)c1)-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
CCCOc1ccc(cc1)C(CC(O)=O)c1ccccc1
CCC[C@H](CC(O)=O)c1cccc(OCc2ccc(-c3cc(OC)ccc3F)c(c2)C(C)(C)C)c1 |r|
CCC[C@H](CC(O)=O)c1cccc(OCc2ccc(-c3cccc(OC)c3)c(c2)C(C)(C)C)c1 |r|
CCC[C@H](CC(O)=O)c1cccc(OCc2ccc(-c3cccc(OC)n3)c(c2)C(C)(C)C)c1 |r|
CCC[C@H](CC(O)=O)c1cccc(OCc2ccc(-c3cncc(OC)c3)c(c2)C(C)(C)C)c1 |r|
CCC[C@H](CC(O)=O)c1cccc(OCc2ccc(c(c2)[C@@H]2CCCC2(C)C)-c2cc(OC)ccc2F)c1 |r|
CCCc1cnc(nc1)N1CCN(Cc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cc2)CC1
CCCc1csc2ccc(COc3ccc(cc3)[C@H](Cc3nnn[nH]3)C#CC)cc12 |r|
CCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Oc2ccccc2)cc1 |r|
CCNC(=O)c1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(=O)OC)COc3c2)cc1 |r|
CCOC(=O)CCCCCOc1ccc2cc(CC3SC(=O)NC3=O)ccc2c1
CCOC(=O)c1ccc(NC(=O)c2nnc(s2)C(=O)Nc2ccc(OCC(O)=O)cc2)cc1
CCOC(=O)c1cccc(NC(=O)c2nnc(s2)C(=O)Nc2ccc(OCC(O)=O)cc2)c1
CCOC(CC(=O)NS(C)(=O)=O)c1ccc(OCc2ccccc2C)cc1
CCOC(CC(O)=O)c1ccc(NC(=O)c2ccccc2C)cc1
CCOC(CC(O)=O)c1ccc(NCc2ccc(Cl)c(Cl)c2)cc1
CCOC(CC(O)=O)c1ccc(OCC2CCCCC2)cc1
CCOC(CC(O)=O)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1
CCOC(CC(O)=O)c1ccc(OCCc2ccc(Cl)c(Cl)c2)cc1
CCOC(CC(O)=O)c1ccc(OCc2cc(C)nn2C)cc1
CCOC(CC(O)=O)c1ccc(OCc2ccc(C)cc2)cc1
CCOC(CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(C)c1
CCOC(CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(F)c1
CCOC(CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(c1)[N+]([O-])=O
CCOC(CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
CCOC(CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1Cl
CCOC(CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1F
CCOC(CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1OC
CCOC(CC(O)=O)c1ccc(OCc2ccc(Cl)cc2)cc1
CCOC(CC(O)=O)c1ccc(OCc2ccc(F)c3ccccc23)cc1
CCOC(CC(O)=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
CCOC(CC(O)=O)c1ccc(OCc2cccc(C)c2)cc1
CCOC(CC(O)=O)c1ccc(OCc2cccc(Cl)c2)cc1
CCOC(CC(O)=O)c1ccc(OCc2cccc(F)c2)cc1
CCOC(CC(O)=O)c1ccc(OCc2cccc(OC)c2)cc1
CCOC(CC(O)=O)c1ccc(OCc2cccc(OCOC)c2)cc1
CCOC(CC(O)=O)c1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
CCOC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cccc2C)nc1
CCOC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cccc2C)s1
CCOC(CC(O)=O)c1ccc(OCc2cccc(c2)C#N)cc1
CCOC(CC(O)=O)c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1
CCOC(CC(O)=O)c1ccc(OCc2ccccc2)nc1
CCOC(CC(O)=O)c1ccc(OCc2ccccc2C)cc1
CCOC(CC(O)=O)c1ccc(OCc2cccnc2C)cc1
CCOC(CC(O)=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
CCOC(CC(O)=O)c1ccc(Oc2ccc(Cl)c3ccccc23)cc1
CCOC(CC(O)=O)c1cccc(OCC2CCN(CC2)c2cc(OC)ccc2C(=O)N(CC(C)(C)C)c2cccc(C)n2)c1
CCOC(CC(O)=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1
CCOC(Cc1nnn[nH]1)c1ccc(OCc2ccccc2C)cc1
CCOC(c1ccc(OCc2ccccc2C)cc1)C(F)(F)C(O)=O
CCOCCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
CCOCCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc3C(CC(O)=O)COc3c2)c1
CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3C(CC(O)=O)OCc3c2)c1
CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3CC(CC(O)=O)CCc3c2)c1
CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3CC(CC(O)=O)Cc3c2)c1
CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3CC(CCc3c2)C(O)=O)c1
CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3CC(Cc3c2)C(O)=O)c1
CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3N(CC(O)=O)C(=O)Cc3c2)c1
CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@@H](CC(O)=O)COc3c2)c1 |r|
CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
CCOCCOc1ccc(-c2csc3ccc(COc4ccc(cc4)C4(CC(O)=O)CC(=O)C4)cc23)c(C)c1
CCOCCOc1ccc(-c2csc3ccc(COc4ccc(cc4)[C@@]4(CC(O)=O)C[C@H](O)C4)cc23)c(C)c1 |r,wU:25.25,wD:31.32,(-5.38,-7.49,;-6.47,-6.4,;-6.07,-4.91,;-7.16,-3.82,;-6.76,-2.34,;-7.85,-1.25,;-7.45,.24,;-8.54,1.33,;-8.14,2.82,;-6.66,3.22,;-6.26,4.7,;-7.16,5.95,;-6.26,7.19,;-4.79,6.72,;-3.46,7.49,;-2.13,6.72,;-2.13,5.18,;-.79,4.41,;-.79,2.87,;.54,2.1,;.54,.56,;1.87,-.21,;3.21,.56,;3.21,2.1,;1.87,2.87,;4.54,-.21,;5.88,.56,;7.21,-.21,;8.54,.56,;7.21,-1.75,;5.63,-1.3,;4.54,-2.39,;4.54,-3.93,;3.45,-1.3,;-3.46,4.41,;-4.79,5.18,;-5.57,2.13,;-4.08,2.53,;-5.97,.64,)|
CCO[C@@H](CC(O)=O)c1ccc(OC2CCc3c2cccc3OC)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(OC2CCc3ncccc23)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(OC2Cc3ccccc3C2)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(OCc2ccc(c(F)c2)C(F)(F)F)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(OCc2ccc(cc2F)C(F)(F)F)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cccc2C)s1 |r|
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCCc3ccccc23)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3C(C)C)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)nc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3C)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3C2CC2)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3CC)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3Cl)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3OC(F)(F)F)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3OCC)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3cc(ccc23)C(F)(F)F)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3ccccc23)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2COc3c2cccc3C(F)(F)F)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2COc3c2cccc3C(F)(F)F)nc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(O[C@H]2CCc3c2cccc3C(F)(F)F)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(O[C@H]2CCc3ccccc23)cc1 |r|
CCO[C@@H](CC(O)=O)c1ccc(Oc2noc3c(C)cccc23)cc1 |r|
CCO[C@@H](c1cc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)ccc1-c1cc(OC)ccc1F)C(C)(C)C |r|
CCO[C@H](CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 |r|
CCO[C@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cccc2C)s1 |r|
CCO[C@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)cc1 |r|
CCO[C@H](CC(O)=O)c1ccc(O[C@H]2CCc3c2cccc3C(F)(F)F)cc1 |r|
CCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
CCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc(OCC(O)=O)cc2)c1
CCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(NCC(O)=O)c(F)c2)c1
CCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
CCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
CCOc1cc(COc2ccc(CCC(O)=O)c(F)c2)cc(c1)-c1c(C)noc1C
CCOc1cc(N2CC[C@@H](Oc3ccc(cc3)N3N=C([C@@H](C)[C@@H]3CC(O)=O)C(F)(F)F)[C@H](C)C2)c(Cl)cn1 |r,c:19|
CCOc1cc(N2CC[C@@H](Oc3ccc(cc3)N3N=C([C@@H](C)[C@@H]3CC(O)=O)C(F)(F)F)[C@H](C)C2)c(F)cn1 |r,c:19|
CCOc1ccc(C)c(c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
CCOc1ccc(COc2ccc3C(CC(O)=O)COc3c2)cc1-n1c(C)ccc1C |(-11.48,-5.94,;-10.41,-5.34,;-9.08,-6.12,;-7.74,-5.36,;-7.73,-3.82,;-6.39,-3.06,;-5.06,-3.84,;-3.72,-3.07,;-3.72,-1.53,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.57,2.1,;4.13,4.18,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-5.07,-5.38,;-6.41,-6.14,;-6.42,-7.68,;-7.67,-8.55,;-8.84,-8.15,;-7.21,-10.02,;-5.67,-10.03,;-5.18,-8.57,;-4.01,-8.19,)|
CCOc1ccc(Cl)c(c1)-c1ccc(OCCCC(O)=O)cc1
CCOc1ccc(F)c(c1)-c1ccc(OCCCC(O)=O)cc1
CCOc1ccc(F)c(c1)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:27|
CCOc1ccc(F)c(c1)N1CC[C@@H](Oc2ccc(cc2)N2N=C([C@@H](C)[C@@H]2CC(O)=O)C(F)(F)F)[C@H](F)C1 |r,c:24|
CCOc1ccc(F)c(c1)N1CC[C@@H](Oc2cnc(cn2)N2CC(OC)[C@@H](C)[C@@H]2CC(O)=O)[C@H](C)C1 |r|
CCOc1ccc(OC2CC(COc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)C2)cc1 |r,wU:20.21,wD:19.19,(-8.95,-3.2,;-10.28,-2.43,;-10.28,-.89,;-8.95,-.12,;-8.95,1.42,;-7.61,2.19,;-6.28,1.42,;-4.94,2.19,;-3.61,1.42,;-2.12,1.82,;-1.72,.33,;-.39,-.44,;.94,.33,;2.28,-.44,;2.28,-1.98,;3.61,-2.75,;4.94,-1.98,;4.94,-.44,;3.61,.33,;6.28,.33,;7.61,-.44,;7.61,-1.98,;8.95,.33,;10.28,-.44,;8.95,1.87,;6.28,1.87,;7.05,3.2,;5.51,3.2,;-3.21,-.07,;-6.28,-.12,;-7.61,-.89,)|
CCOc1ccc(\C=C\c2cc(OCC)cc(OCc3ccc(OCC(O)=O)c(F)c3)c2)cc1
CCOc1ccc(c(C)c1)-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
CCOc1ccc(c(Cl)c1)-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
CCOc1ccc(cc1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
CCOc1ccc(cc1)-c1ccccc1COc1ccc(CCC(O)=O)cc1
CCOc1ccc2cc(ccc2c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
CCOc1cccc(OC2CC(COc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)C2)c1 |r,wU:21.22,wD:20.20,(-10.28,-2.43,;-8.95,-3.2,;-7.61,-2.43,;-7.61,-.89,;-8.95,-.12,;-8.95,1.42,;-7.61,2.19,;-6.28,1.42,;-4.94,2.19,;-3.61,1.42,;-2.12,1.82,;-1.72,.33,;-.39,-.44,;.94,.33,;2.28,-.44,;2.28,-1.98,;3.61,-2.75,;4.94,-1.98,;4.94,-.44,;3.61,.33,;6.28,.33,;7.61,-.44,;7.61,-1.98,;8.95,.33,;10.28,-.44,;8.95,1.87,;6.28,1.87,;7.05,3.2,;5.51,3.2,;-3.21,-.07,;-6.28,-.12,)|
CCOc1cccc(c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
CCOc1ccccc1-c1cn2cc(COc3ccc(cc3)C(CC(O)=O)C#CC)ccc2n1
CCOc1ccccc1-c1cn2ccc(COc3ccc(cc3)C(CC(O)=O)C#CC)cc2n1
CCOc1ccccc1OC1CC(COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)C1 |r,wU:22.24,wD:21.22,(-10.28,2.85,;-8.95,3.62,;-7.61,2.85,;-7.61,1.31,;-8.95,.54,;-8.95,-1,;-7.61,-1.77,;-6.28,-1,;-6.28,.54,;-4.94,1.31,;-3.61,.54,;-2.12,.94,;-1.72,-.54,;-.39,-1.31,;.94,-.54,;2.28,-1.31,;2.28,-2.85,;3.61,-3.62,;4.94,-2.85,;4.94,-1.31,;3.61,-.54,;6.28,-.54,;7.61,-1.31,;7.61,-2.85,;8.95,-.54,;10.28,-1.31,;8.95,1,;6.28,1,;7.05,2.33,;5.51,2.33,;-3.21,-.94,)|
CCOc1ccccc1Oc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
CCS(=O)(=O)CCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
CCS(=O)(=O)CCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
CCS(=O)(=O)CCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
CCS(=O)(=O)N(Cc1ccsc1)Cc1cccc(COc2ccc(cc2)[C@H](CC(O)=O)C#CC)c1 |r|
CC[C@@H](CC(O)=O)c1cccc(OCc2ccc(c(c2)[C@@H]2CCCC2(C)C)-c2cc(OC)ccc2F)c1 |r|
CC[C@H](C)CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1cc2ccccc2o1 |r|
CC[C@H](C)CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1 |r|
CC[C@H](C)COc1ccc(cc1)C(CC(O)=O)c1ccccc1
CC[C@H](CC(O)=O)c1cc(F)cc(OCc2ccc(c(c2)[C@@H]2CCCC2(C)C)-c2cc(OC)ccc2F)c1 |r|
CC[C@H](CC(O)=O)c1cc(OCc2ccc(c(c2)C2CCCC2(C)C)-c2cc(OC)ccc2F)ccc1F |r|
CC[C@H](CC(O)=O)c1ccc(F)c(OCc2ccc(c(c2)C2=CCCC2(C)C)-c2cc(OC)ccc2F)c1 |r,t:22|
CC[C@H](CC(O)=O)c1cccc(OCc2ccc(-c3cc(OC)ccc3F)c(c2)C(C)(C)C)c1 |r|
CC[C@H](CC(O)=O)c1cccc(OCc2ccc(c(c2)[C@@H]2CCCC2(C)C)-c2cc(OC)ccc2F)c1 |r|
CC[C@H](CC(O)=O)c1cccc(OCc2ccc(c(c2)[C@@H]2CCCC2(C)C)-c2cc(OC)ccc2F)c1F |r|
CC[C@H](CC(O)=O)c1ccnc(OCc2ccc(c(c2)[C@@H]2CCCC2(C)C)-c2cc(OC)ncc2F)c1 |r|
CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O
CCc1cc(OCCCS(C)(=O)=O)cc(CC)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1
CCc1ccc(F)c(c1)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:26|
CCc1ccc(OCc2nnc(s2)C(=O)Nc2ccc(CCC(O)=O)cc2)cc1
CCc1ccc(cc1)-c1cn2cc(COc3ccc(cc3)C(CC(O)=O)C#CC)ccc2n1
CCc1ccc(cc1)-c1cn2ccc(COc3ccc(cc3)C(CC(O)=O)C#CC)cc2n1
CCc1ccc(cc1)-c1noc(COc2ccc(CCC(O)=O)cc2)n1
CCc1ccc(cc1)S(=O)(=O)Nc1ccc(N)c(c1)C(F)(F)F
CCc1cccc(CC)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
CCc1cccc(CC)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:27.30,16.22,wD:29.34,(-1.51,1.69,;-1.99,.23,;-3.49,-.09,;-4.52,1.05,;-6.03,.73,;-6.51,-.73,;-5.48,-1.88,;-5.95,-3.34,;-7.46,-3.66,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
CCc1cccc(c1)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:25|
CCc1ccccc1-c1cc2cc(CCC(O)=O)ccc2[nH]1
CCc1ccccc1-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
CCc1ccccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r|
CCc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(CCC(O)=O)cc1
CN(C)C(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(NCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1
CN(C)C(=O)c1cc(C)c(c(C)c1)-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
CN(C)C(=O)c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:30.33,19.25,wD:32.37,(-13.45,5.29,;-12.42,4.15,;-12.9,2.68,;-10.91,4.47,;-10.44,5.93,;-9.88,3.32,;-8.38,3.64,;-7.35,2.5,;-5.84,2.82,;-7.82,1.04,;-9.33,.71,;-9.8,-.75,;-10.36,1.86,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
CN(C)C(=O)c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:30.33,19.25,wD:32.37,(-7.62,4.49,;-6.59,3.34,;-5.08,3.66,;-7.06,1.88,;-8.57,1.56,;-6.03,.73,;-6.51,-.73,;-5.48,-1.88,;-5.95,-3.34,;-3.97,-1.56,;-3.49,-.09,;-1.99,.23,;-4.52,1.05,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
CN(C)C(=O)c1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)cc1 |r|
CN(C)Cc1ccc(CNc2ccc(CCC(O)=O)cc2)cc1
CN(C)c1cccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)c1 |r|
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
CN(Cc1cccc(c1)-c1c(C)cccc1C)c1ccc(CCC(O)=O)cc1
CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1
CN1CC(CCC1=O)c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:33.37,22.29,wD:35.41,(-14.96,4.97,;-13.45,5.29,;-12.42,4.15,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-12.97,6.76,;-14,7.9,;-9.88,3.32,;-8.38,3.64,;-7.35,2.5,;-5.84,2.82,;-7.82,1.04,;-9.33,.71,;-9.8,-.75,;-10.36,1.86,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
CN1CCC(CC1)Oc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Oc2ccccc2)cc1 |r|
CNC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
CNC(=O)c1cc(C)c(c(C)c1)-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
CNC(=O)c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:29.32,18.24,wD:31.36,(-13.45,5.29,;-12.42,4.15,;-10.91,4.47,;-10.44,5.93,;-9.88,3.32,;-8.38,3.64,;-7.35,2.5,;-5.84,2.82,;-7.82,1.04,;-9.33,.71,;-9.8,-.75,;-10.36,1.86,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
CNC(=O)c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:29.32,18.24,wD:31.36,(-7.62,4.49,;-6.58,3.34,;-7.06,1.88,;-8.57,1.56,;-6.03,.73,;-6.51,-.73,;-5.48,-1.88,;-5.95,-3.34,;-3.97,-1.56,;-3.49,-.09,;-1.99,.23,;-4.52,1.05,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
COC(=O)CSc1nnc(SCc2ccccc2)s1
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3c(C)cc(OCCC(C)(C)O)cc3C)ccc12 |r|
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3c(F)cc(cc3F)-c3cnn(CC(C)(C)O)c3)ccc12 |r|
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(Br)cc3)ccc12 |r|
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(CN4CCOCC4)cc3)ccc12 |r|
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(O)cc3)ccc12 |r|
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(OCCC(C)(C)O)cn3)ccc12 |r|
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(O[C@H]4CCOC4)cn3)ccc12 |r|
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(\C=C\CC(C)(C)O)cn3)ccc12 |r|
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(cc3)-c3csc(C)n3)ccc12 |r|
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(cc3)-c3nnn[nH]3)ccc12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;$|
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(cc3)-n3ccnc3)ccc12 |r|
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(cc3)C3CCOCC3)ccc12 |r|
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc4OCCOc4c3)ccc12 |r|
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc4OCCc4c3)ccc12 |r|
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc4cnn(CCC(C)(C)O)c4c3)ccc12 |r|
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc4n(CCC(C)(C)O)ncc4c3)ccc12 |r|
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3cccc(CNC(C)=O)c3)ccc12 |r|
COC(=O)c1ccc(F)cc1OCc1ccc(CCC(O)=O)cc1
COC(C1CC1)c1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1 |r|
COC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cccc2C)s1
COC(CC(O)=O)c1cccc(OCC2CCN(CC2)c2cc(OC)ccc2C(=O)N(CC(C)(C)C)c2cccc(C)n2)c1
COC(Cc1ccc(OCc2cccc(c2)-c2c(C)cccc2C)nc1)C(O)=O
COCC(CC(O)=O)c1cccc(OCC2CCN(CC2)c2cc(OC)ccc2C(=O)N(CC(C)(C)C)c2cccc(C)n2)c1
COCCCOc1ccc(cc1)C(CC(O)=O)c1ccccc1
COCCN(Cc1ccsc1)Cc1cccc(COc2ccc(cc2)[C@H](CC(O)=O)C#CC)c1 |r|
COCCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
COCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
COCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
COCCOc1cc(C)c(cn1)-c1csc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cc12 |r|
COCCOc1cc(C)c(cn1)-c1csc2ccc(COc3ccc(cc3)[C@H](Cc3nnn[nH]3)C#CC)cc12 |r|
COCCOc1ccc(-c2c(C)sc3ccc(COc4ccc(cc4)[C@H](Cc4nnn[nH]4)C#CC)cc23)c(C)c1 |r,wD:25.25,(-6.91,-6.94,;-6.51,-5.46,;-7.6,-4.37,;-7.2,-2.88,;-8.29,-1.79,;-7.89,-.3,;-8.98,.78,;-8.58,2.27,;-7.09,2.67,;-6.7,4.16,;-7.6,5.4,;-9.14,5.4,;-6.7,6.65,;-5.23,6.17,;-3.9,6.94,;-2.56,6.17,;-2.56,4.63,;-1.23,3.86,;-1.23,2.32,;.1,1.55,;.1,.01,;1.44,-.76,;2.77,.01,;2.77,1.55,;1.44,2.32,;4.1,-.76,;5.44,.01,;6.77,-.76,;6.77,-2.3,;8.24,-2.77,;9.14,-1.53,;8.24,-.28,;4.1,-2.3,;4.1,-3.84,;4.1,-5.38,;-3.9,3.86,;-5.23,4.63,;-6.01,1.58,;-4.52,1.98,;-6.4,.09,)|
COCCOc1ccc(-c2c(Cl)sc3ccc(COc4ccc(cc4)[C@H](Cc4nnn[nH]4)C#CC)cc23)c(C)c1 |r,wD:25.25,(-6.91,-6.94,;-6.51,-5.46,;-7.6,-4.37,;-7.2,-2.88,;-8.29,-1.79,;-7.89,-.3,;-8.98,.78,;-8.58,2.27,;-7.09,2.67,;-6.7,4.16,;-7.6,5.4,;-9.14,5.4,;-6.7,6.65,;-5.23,6.17,;-3.9,6.94,;-2.56,6.17,;-2.56,4.63,;-1.23,3.86,;-1.23,2.32,;.1,1.55,;.1,.01,;1.44,-.76,;2.77,.01,;2.77,1.55,;1.44,2.32,;4.1,-.76,;5.44,.01,;6.77,-.76,;6.77,-2.3,;8.24,-2.77,;9.14,-1.53,;8.24,-.28,;4.1,-2.3,;4.1,-3.84,;4.1,-5.38,;-3.9,3.86,;-5.23,4.63,;-6.01,1.58,;-4.52,1.98,;-6.4,.09,)|
COCCOc1ccc(-c2c(F)sc3ccc(COc4ccc(cc4)[C@H](Cc4nnn[nH]4)C#CC)cc23)c(C)c1 |r,wD:25.25,(-6.91,-6.94,;-6.51,-5.46,;-7.6,-4.37,;-7.2,-2.88,;-8.29,-1.79,;-7.89,-.3,;-8.98,.78,;-8.58,2.27,;-7.09,2.67,;-6.7,4.16,;-7.6,5.4,;-9.14,5.4,;-6.7,6.65,;-5.23,6.17,;-3.9,6.94,;-2.56,6.17,;-2.56,4.63,;-1.23,3.86,;-1.23,2.32,;.1,1.55,;.1,.01,;1.44,-.76,;2.77,.01,;2.77,1.55,;1.44,2.32,;4.1,-.76,;5.44,.01,;6.77,-.76,;6.77,-2.3,;8.24,-2.77,;9.14,-1.53,;8.24,-.28,;4.1,-2.3,;4.1,-3.84,;4.1,-5.38,;-3.9,3.86,;-5.23,4.63,;-6.01,1.58,;-4.52,1.98,;-6.4,.09,)|
COCCOc1ccc(-c2c(sc3ccc(COc4ccc(cc4)[C@H](Cc4nnn[nH]4)C#CC)cc23)C(F)(F)F)c(C)c1 |r,wD:24.24,(-10.6,-6.25,;-10.2,-4.77,;-8.72,-4.37,;-8.32,-2.88,;-6.83,-2.48,;-6.43,-.99,;-7.52,.09,;-7.12,1.58,;-5.63,1.98,;-5.24,3.47,;-6.14,4.71,;-5.24,5.96,;-3.77,5.48,;-2.44,6.25,;-1.1,5.48,;-1.1,3.94,;.23,3.17,;.23,1.63,;1.56,.86,;1.56,-.68,;2.9,-1.45,;4.23,-.68,;4.23,.86,;2.9,1.63,;5.56,-1.45,;6.9,-.68,;8.23,-1.45,;8.23,-2.99,;9.7,-3.46,;10.6,-2.22,;9.7,-.97,;5.56,-2.99,;5.56,-4.53,;5.56,-6.07,;-2.44,3.17,;-3.77,3.94,;-7.68,4.71,;-8.45,3.38,;-8.45,6.05,;-9.22,4.71,;-4.55,.89,;-3.06,1.29,;-4.94,-.6,)|
COCCOc1ccc(-c2csc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)cc23)c(C)c1 |r|
COCCOc1ccc(-c2csc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)cc23)c(C)n1 |r|
COCCOc1ccc(-c2csc3ccc(COc4ccc(cc4)[C@H](Cc4nnn[nH]4)C#CC)cc23)c(C)c1 |r|
COCCOc1ccc(-c2csc3ccc(COc4ccc(cn4)C(CC(O)=O)C#CC)cc23)c(C)c1
COCCOc1ccc(-c2csc3ccc(COc4ccc(cn4)[C@@H](CC(O)=O)C#CC)cc23)c(C)c1 |r|
COCCOc1ccc(-c2csc3ccc(COc4ccc(cn4)[C@H](CC(O)=O)C#CC)cc23)c(C)c1 |r|
COCCOc1ccc(-c2csc3ccc(COc4ccc(cn4)[C@H](Cc4nnn[nH]4)C#CC)cc23)c(C)c1 |r|
COCCOc1ccc(-c2csc3ccc(OCc4ccc(cc4)[C@H](CC(O)=O)C#CC)cc23)c(C)c1 |r|
COCCOc1ccc(C)c(c1)-c1csc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cc12 |r|
COCCOc1ccc(C)c(c1)-c1csc2ccc(COc3ccc(cc3)[C@H](Cc3nnn[nH]3)C#CC)cc12 |r|
COCCOc1ccc(C)c(c1)-c1csc2ccc(COc3ccc(cn3)[C@H](CC(O)=O)C#CC)cc12 |r|
COCCOc1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)cc1 |r|
COCCOc1ccc(c(C)c1)-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
COCCOc1ccc(cc1)-c1nc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cn2n1 |r|
COCCOc1ccc2CCC(COc3ccc(CCC(O)=O)c(F)c3)Oc2c1
COCCOc1cccc(-c2csc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)cc23)c1C |r|
COCCOc1cccc(-c2csc3ccc(COc4ccc(cc4)[C@H](Cc4nnn[nH]4)C#CC)cc23)c1C |r|
COCCOc1cccc(-c2csc3ccc(COc4ccc(cn4)[C@H](CC(O)=O)C#CC)cc23)c1C |r|
COCCOc1cccc(-c2csc3ccc(COc4ccc(cn4)[C@H](Cc4nnn[nH]4)C#CC)cc23)c1C |r|
COCCOc1cccc(C)c1-c1csc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cc12 |r,wD:27.28,(-11.46,3.96,;-10.38,2.87,;-8.89,3.27,;-7.8,2.18,;-6.31,2.58,;-5.22,1.49,;-5.62,0,;-4.53,-1.09,;-3.04,-.69,;-2.65,.8,;-1.16,1.2,;-3.74,1.89,;-3.34,3.37,;-4.24,4.62,;-3.34,5.87,;-1.87,5.39,;-.54,6.16,;.8,5.39,;.8,3.85,;2.13,3.08,;2.13,1.54,;3.46,.77,;3.46,-.77,;4.8,-1.54,;6.13,-.77,;6.13,.77,;4.8,1.54,;7.46,-1.54,;8.8,-.77,;10.13,-1.54,;11.46,-.77,;10.13,-3.08,;7.46,-3.08,;7.46,-4.62,;7.46,-6.16,;-.54,3.08,;-1.87,3.85,)|
COCCOc1ccccc1-c1csc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cc12 |r|
COCCOc1cnc(-c2csc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)cc23)c(C)c1 |r|
COCCOc1cnc(-c2csc3ccc(COc4ccc(cc4)[C@H](Cc4nnn[nH]4)C#CC)cc23)c(C)c1 |r|
COCCOc1cnc(-c2csc3ccc(COc4ccc(cn4)[C@H](CC(O)=O)C#CC)cc23)c(C)c1 |r|
COCCOc1cnc(C)c(c1)-c1csc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cc12 |r|
COCCOc1cnc(C)c(c1)-c1csc2ccc(COc3ccc(cc3)[C@H](Cc3nnn[nH]3)C#CC)cc12 |r|
COCCOc1cnc(C)c(c1)-c1csc2ccc(COc3ccc(cn3)[C@H](CC(O)=O)C#CC)cc12 |r|
COCOc1ccc(cc1)N1CCN(Cc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cc2)CC1
COCc1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1 |r|
CO[C@@H](c1cc(COc2cc(ccn2)[C@@H](CC(O)=O)C2CC2)ccc1-c1cc(OC)ncc1F)C(C)(C)C |r|
CO[C@@H](c1cc(COc2cc3c(CC[C@]33C[C@H]3C(O)=O)cn2)ccc1-c1cc(OC)ncc1F)C(C)(C)C |r|
CO[C@@H](c1cc(COc2ccc3CC[C@](C)(CC(O)=O)c3c2)ccc1-c1cc(OC)ncc1F)C(C)(C)C |r|
CO[C@@H](c1cc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)ccc1-c1cc(OC)ccc1F)C(C)(C)C |r|
CO[C@@H](c1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1)C(C)(C)C |r|
CO[C@H](c1cc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)ccc1-c1cc(OC)ccc1F)C(C)(C)C |r|
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(c1)-c1cc(C)c(OCCCC(O)=O)c(C)c1 |r,wU:4.6,wD:2.1,(2.53,-24.47,;2.53,-26.01,;3.87,-26.78,;4.26,-28.27,;5.75,-27.87,;5.36,-26.39,;7.08,-28.64,;8.42,-27.88,;8.42,-26.33,;9.75,-25.56,;9.74,-24.02,;11.09,-26.33,;12.42,-25.55,;11.09,-27.88,;9.75,-28.64,;12.42,-28.64,;12.42,-30.18,;13.75,-30.95,;13.75,-32.49,;15.08,-30.17,;16.41,-30.94,;17.75,-30.17,;19.08,-30.94,;20.41,-30.17,;21.75,-30.94,;23.08,-30.17,;21.75,-32.48,;15.08,-28.63,;16.4,-27.86,;13.74,-27.87,)|
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(c1)-c1cc(F)c(OCCC(C)(C)C(O)=O)c(F)c1 |r,wU:4.6,wD:2.1,(2.14,-34.73,;2.14,-36.27,;3.47,-37.05,;3.87,-38.54,;5.35,-38.14,;4.96,-36.65,;6.69,-38.91,;8.02,-38.14,;8.02,-36.6,;9.35,-35.82,;9.35,-34.28,;10.69,-36.59,;12.02,-35.81,;10.7,-38.14,;9.36,-38.91,;12.03,-38.9,;12.03,-40.44,;13.35,-41.22,;13.36,-42.75,;14.68,-40.43,;16.01,-41.2,;17.35,-40.43,;18.69,-41.21,;20.02,-40.43,;19.24,-39.1,;20.78,-39.09,;21.36,-41.21,;22.68,-40.43,;21.35,-42.75,;14.68,-38.89,;16,-38.12,;13.35,-38.13,)|
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(c1)-c1cc(F)c(OCCCC(O)=O)c(F)c1 |r,wU:4.6,wD:2.1,(3.72,-14.92,;3.72,-16.46,;5.05,-17.24,;5.45,-18.73,;6.93,-18.33,;6.54,-16.84,;8.26,-19.1,;9.6,-18.33,;9.6,-16.79,;10.93,-16.01,;10.93,-14.47,;12.27,-16.78,;13.6,-16,;12.27,-18.33,;10.93,-19.1,;13.6,-19.09,;13.6,-20.63,;14.93,-21.41,;14.93,-22.94,;16.26,-20.62,;17.59,-21.39,;18.93,-20.62,;20.26,-21.39,;21.6,-20.62,;22.93,-21.39,;24.26,-20.62,;22.93,-22.94,;16.26,-19.08,;17.58,-18.31,;14.92,-18.33,)|
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(c1)-c1cc(F)c(OCCCCC(O)=O)c(F)c1 |r,wU:4.6,wD:2.1,(25.72,-35.65,;25.72,-37.19,;27.05,-37.96,;27.45,-39.45,;28.93,-39.06,;28.54,-37.57,;30.27,-39.82,;31.6,-39.06,;31.61,-37.51,;32.94,-36.74,;32.93,-35.2,;34.27,-37.51,;35.6,-36.73,;34.28,-39.06,;32.94,-39.82,;35.61,-39.82,;35.61,-41.36,;36.93,-42.13,;36.94,-43.67,;38.26,-41.35,;39.59,-42.12,;40.93,-41.35,;42.27,-42.12,;43.6,-41.35,;44.93,-42.11,;46.25,-41.34,;46.25,-39.81,;47.58,-42.11,;38.26,-39.81,;39.58,-39.04,;36.93,-39.05,)|
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(c1)-c1cc(F)c(OCCCCCC(O)=O)c(F)c1 |r,wU:4.6,wD:2.1,(51.45,-36.09,;51.45,-37.63,;52.79,-38.41,;53.18,-39.9,;54.67,-39.5,;54.27,-38.01,;56,-40.27,;57.34,-39.5,;57.34,-37.96,;58.67,-37.18,;58.66,-35.64,;60,-37.95,;61.34,-37.17,;60.01,-39.5,;58.67,-40.27,;61.34,-40.27,;61.34,-41.81,;62.67,-42.58,;62.67,-44.11,;64,-41.8,;65.33,-42.57,;66.66,-41.79,;68,-42.57,;69.33,-41.79,;70.66,-42.56,;71.99,-41.79,;73.32,-42.55,;74.64,-41.78,;73.32,-44.09,;63.99,-40.25,;65.32,-39.48,;62.66,-39.5,)|
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(c1)-c1cc(F)c(OCCCCCCC(O)=O)c(F)c1 |r,wU:4.6,wD:2.1,(71.36,-35.13,;71.36,-36.67,;72.7,-37.44,;73.09,-38.93,;74.58,-38.53,;74.18,-37.05,;75.91,-39.3,;77.25,-38.54,;77.25,-36.99,;78.58,-36.22,;78.57,-34.68,;79.92,-36.99,;81.25,-36.21,;79.92,-38.54,;78.58,-39.3,;81.25,-39.3,;81.25,-40.84,;82.58,-41.61,;82.58,-43.15,;83.91,-40.83,;85.24,-41.6,;86.57,-40.83,;87.91,-41.6,;89.24,-40.83,;90.57,-41.59,;91.9,-40.82,;93.23,-41.59,;94.55,-40.82,;94.55,-39.29,;95.88,-41.58,;83.91,-39.29,;85.23,-38.52,;82.57,-38.53,)|
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(c1)-c1cc(F)c(OCCCCCCCC(O)=O)c(F)c1 |r,wU:4.6,wD:2.1,(2.87,-44.94,;2.87,-46.48,;4.2,-47.26,;4.6,-48.75,;6.08,-48.35,;5.69,-46.86,;7.42,-49.12,;8.75,-48.35,;8.76,-46.81,;10.09,-46.03,;10.08,-44.49,;11.42,-46.8,;12.76,-46.02,;11.43,-48.35,;10.09,-49.12,;12.76,-49.11,;12.76,-50.66,;14.09,-51.43,;14.09,-52.96,;15.42,-50.65,;16.75,-51.42,;18.09,-50.64,;19.42,-51.42,;20.76,-50.64,;22.09,-51.41,;23.41,-50.64,;24.74,-51.4,;26.07,-50.64,;27.4,-51.4,;28.73,-50.63,;27.4,-52.93,;15.42,-49.1,;16.74,-48.33,;14.08,-48.35,)|
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(c1)-c1cc(F)c(SCCCC(O)=O)c(F)c1 |r,wU:4.6,wD:2.1,(27.31,-25.59,;27.3,-27.13,;28.64,-27.9,;29.03,-29.39,;30.52,-28.99,;30.13,-27.51,;31.85,-29.76,;33.19,-28.99,;33.19,-27.45,;34.52,-26.68,;34.52,-25.14,;35.86,-27.44,;37.19,-26.66,;35.86,-28.99,;34.52,-29.76,;37.19,-29.76,;37.19,-31.3,;38.52,-32.07,;38.52,-33.6,;39.85,-31.29,;41.18,-32.06,;42.51,-31.28,;43.85,-32.06,;45.18,-31.28,;46.52,-32.06,;47.85,-31.28,;46.52,-33.6,;39.85,-29.75,;41.17,-28.97,;38.51,-28.99,)|
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(c1)-c1ccc2O[C@@H](CCC(O)=O)CCc2c1 |r,wU:4.6,wD:20.22,2.1,(28.5,-3.16,;28.5,-4.7,;29.83,-5.47,;30.23,-6.96,;31.71,-6.56,;31.32,-5.08,;33.05,-7.33,;34.38,-6.56,;34.38,-5.02,;35.71,-4.25,;35.71,-2.71,;37.05,-5.01,;38.38,-4.24,;37.05,-6.56,;35.72,-7.33,;38.38,-7.33,;38.38,-8.87,;39.71,-9.64,;41.04,-8.86,;42.37,-9.63,;43.7,-8.85,;45.04,-9.63,;46.37,-8.85,;47.71,-9.63,;49.03,-8.85,;47.71,-11.17,;43.7,-7.31,;42.36,-6.54,;41.04,-7.32,;39.7,-6.56,)|
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(c1)-c1ccc2O[C@@H](CCc3nnn[nH]3)CCc2c1 |r,wU:4.6,wD:20.22,2.1,(24.37,-19.15,;24.37,-20.69,;25.71,-21.45,;26.11,-22.94,;27.59,-22.53,;27.19,-21.05,;28.93,-23.3,;30.26,-22.52,;30.25,-20.97,;31.59,-20.2,;31.59,-18.66,;32.92,-20.97,;34.26,-20.21,;32.92,-22.52,;31.59,-23.29,;34.25,-23.29,;34.25,-24.83,;35.58,-25.6,;36.91,-24.83,;38.25,-25.61,;39.6,-24.84,;40.93,-25.61,;42.27,-24.85,;43.6,-25.62,;45.01,-24.99,;46.04,-26.14,;45.27,-27.47,;43.76,-27.15,;39.6,-23.28,;38.25,-22.5,;36.91,-23.28,;35.58,-22.51,)|
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(n1)-c1ccc2O[C@@H](CCC(O)=O)CCc2c1 |r,wU:4.6,wD:20.22,2.1,(19.4,-3.02,;19.4,-4.56,;20.74,-5.33,;21.14,-6.82,;22.62,-6.41,;22.23,-4.93,;23.96,-7.18,;25.29,-6.4,;25.28,-4.85,;26.62,-4.08,;26.62,-2.54,;27.95,-4.85,;29.29,-4.08,;27.95,-6.39,;26.62,-7.16,;29.28,-7.16,;29.28,-8.71,;30.61,-9.48,;31.94,-8.71,;33.28,-9.49,;34.63,-8.72,;35.96,-9.49,;37.3,-8.72,;38.63,-9.5,;38.63,-11.04,;39.97,-8.73,;34.63,-7.16,;33.28,-6.38,;31.94,-7.16,;30.61,-6.39,)|
CO[C@H]1C[C@@H](C1)Oc1cc(OC)c(F)c(c1)-c1ccc2O[C@@H](CCc3nnn[nH]3)CCc2c1 |r,wU:4.6,wD:21.23,2.1,(3.22,-26.55,;3.22,-28.09,;4.56,-28.86,;4.97,-30.34,;6.45,-29.94,;6.05,-28.45,;7.78,-30.7,;9.11,-29.93,;9.11,-28.38,;10.44,-27.61,;10.44,-26.07,;9.1,-25.3,;11.77,-28.38,;13.11,-27.61,;11.77,-29.92,;10.45,-30.69,;13.1,-30.69,;13.1,-32.23,;14.43,-33,;15.76,-32.24,;17.1,-33.01,;18.45,-32.24,;19.78,-33.02,;21.12,-32.25,;22.45,-33.02,;23.87,-32.4,;24.89,-33.54,;24.12,-34.87,;22.61,-34.55,;18.45,-30.69,;17.11,-29.9,;15.77,-30.68,;14.43,-29.92,)|
CO[C@H]1C[C@@H](C1)Oc1cc(OC)c(F)c(n1)-c1ccc2O[C@@H](CCC(O)=O)CCc2c1 |r,wU:4.6,wD:21.23,2.1,(37.05,-1.75,;37.06,-3.29,;38.39,-4.05,;38.8,-5.54,;40.28,-5.13,;39.88,-3.65,;41.61,-5.9,;42.94,-5.12,;42.94,-3.58,;44.27,-2.81,;44.28,-1.27,;42.95,-.5,;45.61,-3.58,;46.94,-2.81,;45.6,-5.12,;44.28,-5.89,;46.93,-5.89,;46.93,-7.43,;48.27,-8.2,;49.6,-7.44,;50.93,-8.21,;52.28,-7.44,;53.61,-8.21,;54.95,-7.45,;56.28,-8.22,;56.28,-9.76,;57.62,-7.45,;52.29,-5.88,;50.94,-5.1,;49.6,-5.88,;48.26,-5.12,)|
CO[C@H]1C[C@@H](C1)Oc1cc2OCOc2c(c1)-c1cc(F)c(OCCCC(O)=O)c(F)c1 |r,wU:4.6,wD:2.1,(25.31,-14.57,;25.31,-16.11,;26.64,-16.88,;27.04,-18.37,;28.52,-17.97,;28.13,-16.49,;29.86,-18.74,;31.19,-17.98,;31.19,-16.43,;32.52,-15.66,;32.84,-14.15,;34.37,-13.98,;35,-15.39,;33.86,-16.42,;33.87,-17.97,;32.53,-18.74,;35.2,-18.74,;35.2,-20.28,;36.52,-21.05,;36.53,-22.58,;37.85,-20.27,;39.18,-21.04,;40.52,-20.27,;41.85,-21.04,;43.19,-20.27,;44.52,-21.04,;45.85,-20.27,;44.52,-22.58,;37.85,-18.73,;39.17,-17.95,;36.52,-17.97,)|
CO[C@H]1C[C@@H](C1)Oc1ccc(c(c1)-c1cc(F)c(OCCCC(O)=O)c(F)c1)[N+]([O-])=O |r,wU:4.6,wD:2.1,(47.54,-13.88,;47.54,-15.42,;48.88,-16.19,;49.27,-17.68,;50.76,-17.28,;50.36,-15.8,;52.09,-18.05,;53.43,-17.29,;53.43,-15.74,;54.76,-14.97,;56.09,-15.73,;56.1,-17.28,;54.76,-18.05,;57.43,-18.05,;57.43,-19.59,;58.76,-20.36,;58.76,-21.89,;60.09,-19.58,;61.42,-20.35,;62.75,-19.58,;64.09,-20.35,;65.42,-19.58,;66.76,-20.35,;68.08,-19.58,;66.76,-21.89,;60.08,-18.04,;61.41,-17.26,;58.75,-17.28,;57.42,-14.96,;58.75,-15.72,;57.42,-13.43,)|
CO[C@H]1C[C@@H](CC(O)=O)N(C1)c1ccc(Oc2ccccc2C)cc1 |r|
CO\N=C(/COc1ccc(CNc2ccc(OCC(O)=O)c(F)c2)cc1)c1ccccc1
CO\N=C(/COc1ccc(COc2ccc(cc2)C(CC(O)=O)C#N)cc1)c1ccc(F)cc1
CO\N=C(/COc1ccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)cc1)c1ccccc1
CO\N=C1/CC(CC(O)=O)c2ccc(OCc3cccc(c3)-c3c(C)cc(OC)cc3C)cc12
COc1c(F)cc(c(Cl)c1F)-c1cccc(c1)-c1cc2cc(CCC(O)=O)ccc2o1
COc1c(F)cc(cc1F)-c1cc(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c(F)cc1F |r|
COc1cc(C)c(N2CCC(CC2)Oc2ccc(cc2)N2N=C([C@@H](C)[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r,c:23|
COc1cc(C)c(c(C)c1)-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
COc1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:27.30,16.22,wD:29.34,(-6.59,3.34,;-7.06,1.88,;-6.03,.73,;-6.51,-.73,;-5.48,-1.88,;-5.95,-3.34,;-3.97,-1.56,;-3.49,-.09,;-1.99,.23,;-4.52,1.05,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(cc2)S(=O)(=O)C(C)(C)C(O)=O)c1
COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(cc2)S(=O)(=O)C(C)C(O)=O)c1
COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(cc2)S(=O)(=O)C2(CC2)C(O)=O)c1
COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3C(CC(O)=O)CC(=O)c3c2)c1
COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3C(CC(O)=O)CC(O)c3c2)c1
COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3C(CC(O)=O)CS(=O)(=O)c3c2)c1
COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3C(CC(O)=O)CSc3c2)c1
COc1cc(C)c(c(C)c1)-c1cccc(c1)-c1cc2cc(CCC(O)=O)ccc2o1
COc1cc(C)c(c(C)c1)-c1cccc(c1)C1Cc2cc(CCC(O)=O)ccc2O1
COc1cc(C)c(cc1F)-c1cccc(c1)-c1cc2cc(CCC(O)=O)ccc2o1
COc1cc(C)c(cn1)-c1csc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cc12 |r|
COc1cc(C2CC(COc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)C2)c(F)cn1 |r,wU:17.18,wD:16.16,(-10.28,-4.6,;-8.94,-5.38,;-7.61,-4.6,;-6.28,-5.38,;-4.94,-4.6,;-3.61,-5.38,;-3.21,-6.86,;-1.72,-6.46,;-.39,-7.23,;.94,-6.46,;2.28,-7.23,;2.28,-8.77,;3.61,-9.54,;4.94,-8.77,;4.94,-7.23,;3.61,-6.46,;6.28,-6.46,;7.61,-7.23,;7.61,-8.77,;8.94,-6.46,;10.28,-7.23,;8.94,-4.92,;6.28,-4.92,;7.05,-3.59,;5.51,-3.59,;-2.12,-4.98,;-4.94,-3.06,;-3.61,-2.3,;-6.28,-2.3,;-7.61,-3.06,)|
COc1cc(C2CC(COc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)C2)c(F)cn1 |r,wU:17.18,wD:16.16,(-10.28,1.31,;-8.95,.54,;-7.61,1.31,;-6.28,.54,;-4.94,1.31,;-3.61,.54,;-2.12,.94,;-1.72,-.54,;-.39,-1.31,;.94,-.54,;2.28,-1.31,;2.28,-2.85,;3.61,-3.62,;4.94,-2.85,;4.94,-1.31,;3.61,-.54,;6.28,-.54,;7.61,-1.31,;7.61,-2.85,;8.95,-.54,;10.28,-1.31,;8.95,1,;6.28,1,;7.05,2.33,;5.51,2.33,;-3.21,-.94,;-4.94,2.85,;-3.61,3.62,;-6.28,3.62,;-7.61,2.85,)|
COc1cc(C2CC(COc3cccc(c3)[C@H]([C@H](C)C(O)=O)C3CC3)C2)c(F)cn1 |r,wU:16.16,17.18,(-10.28,-4.6,;-8.94,-5.38,;-7.61,-4.6,;-6.28,-5.38,;-4.94,-4.6,;-3.61,-5.38,;-3.21,-6.86,;-1.72,-6.46,;-.39,-7.23,;.94,-6.46,;2.28,-7.23,;2.28,-8.77,;3.61,-9.54,;4.94,-8.77,;4.94,-7.23,;3.61,-6.46,;6.28,-6.46,;7.61,-7.23,;7.61,-8.77,;8.94,-6.46,;10.28,-7.23,;8.94,-4.92,;6.28,-4.92,;7.05,-3.59,;5.51,-3.59,;-2.12,-4.98,;-4.94,-3.06,;-3.61,-2.3,;-6.28,-2.3,;-7.61,-3.06,)|
COc1cc(CCC(O)=O)ccc1-c1ccc2c(C)nn(-c3ccccn3)c2c1
COc1cc(CCC(O)=O)ccc1OCc1ccccc1SC(F)(F)F
COc1cc(COc2ccc(CCC(O)=O)c(F)c2)cc(c1)-c1c(C)cccc1C
COc1cc(COc2ccc(CCC(O)=O)c(F)c2)cc(c1)-c1c(C)noc1C
COc1cc(COc2ccc(cc2)[C@H](CC(O)=O)C#CC)ccc1CN1CCC2(CC1)C=Cc1ccccc21 |r,c:34|
COc1cc(F)c(F)c(c1)-c1cc(F)c(OCCCC(O)=O)c(F)c1
COc1cc(F)c(c(F)c1)-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
COc1cc(F)c(c(F)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:27.30,16.22,wD:29.34,(-8.57,1.56,;-7.06,1.88,;-6.03,.73,;-6.51,-.73,;-5.48,-1.88,;-5.95,-3.34,;-3.97,-1.56,;-3.49,-.09,;-1.99,.23,;-4.52,1.05,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
COc1cc(F)c(cc1F)[C@H]1C[C@@H]1COc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1cc(F)cc(c1)[C@H]1C[C@@H]1COc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1cc(N2CCC(CC2)Oc2ccc(cc2)N2N=C([C@@H](C)[C@@H]2CC(O)=O)C(F)(F)F)c(Cl)cn1 |r,c:21|
COc1cc(N2CCC(CC2)Oc2ccc(cc2)N2N=C([C@@H](C)[C@@H]2CC(O)=O)C(F)(F)F)c(F)cn1 |r,c:21|
COc1cc(N2CCC(Oc3ccc(cc3)N3N=C([C@@H](C)C3CC(O)=O)C(F)(F)F)C(C)C2)c(Cl)cn1 |r,c:18|
COc1cc(N2CC[C@@H](Oc3ccc(cc3)N3N=C([C@@H](C)[C@@H]3CC(O)=O)C(F)(F)F)[C@H](C)C2)c(Cl)cn1 |r,c:18|
COc1cc(N2CC[C@@H](Oc3ccc(cc3)N3N=C([C@@H](C)[C@@H]3CC(O)=O)C(F)(F)F)[C@H](F)C2)c(Cl)cn1 |r,c:18|
COc1cc(N2CC[C@H](Oc3ccc(cc3)N3N=C([C@@H](C)[C@@H]3CC(O)=O)C(F)(F)F)[C@@H](C)C2)c(Cl)cn1 |r,c:18|
COc1cc(OC(F)(F)F)cc(c1F)-c1ccc2O[C@@H](CCC(O)=O)CCc2c1 |r|
COc1cc(OC(F)(F)F)cc(c1F)-c1ccc2O[C@@H](CCc3nnn[nH]3)CCc2c1 |r|
COc1cc(OC)c(Cl)c(c1Cl)-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
COc1cc(OC)c(Cl)c(c1Cl)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:29.32,18.24,wD:31.36,(-5.08,3.66,;-4.05,2.52,;-4.52,1.05,;-6.03,.73,;-6.51,-.73,;-8.01,-1.05,;-9.04,.09,;-5.48,-1.88,;-5.95,-3.34,;-3.97,-1.56,;-3.49,-.09,;-1.99,.23,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
COc1cc(OC)c(F)c(c1F)-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
COc1cc(OC)c(F)c(c1F)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:29.32,18.24,wD:31.36,(-9.04,.09,;-8.01,-1.05,;-6.51,-.73,;-6.03,.73,;-4.52,1.05,;-4.05,2.52,;-5.08,3.66,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-5.48,-1.88,;-5.95,-3.34,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
COc1cc(OC)c(c(OC)c1)-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
COc1cc(OC)c(c(OC)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:29.32,18.24,wD:31.36,(-8.57,1.56,;-7.06,1.88,;-6.03,.73,;-6.51,-.73,;-5.48,-1.88,;-5.95,-3.34,;-7.46,-3.66,;-3.97,-1.56,;-3.49,-.09,;-1.99,.23,;-1.51,1.69,;-4.52,1.05,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
COc1cc(OC2CC(COc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)C2)c(F)cn1 |r,wU:18.19,wD:17.17,(-6.94,-3.47,;-8.28,-2.7,;-8.28,-1.16,;-6.94,-.38,;-6.94,1.15,;-5.61,1.92,;-4.28,1.15,;-2.79,1.55,;-2.39,.07,;-1.06,-.7,;.28,.07,;1.61,-.7,;1.61,-2.24,;2.94,-3.01,;4.28,-2.24,;4.28,-.7,;2.94,.07,;5.61,.07,;6.94,-.7,;6.94,-2.24,;8.28,.07,;9.61,-.7,;8.28,1.61,;5.61,1.61,;6.38,2.94,;4.84,2.94,;-3.88,-.33,;-8.28,1.93,;-8.28,3.47,;-9.61,1.15,;-9.61,-.38,)|
COc1cc(OC2CC(COc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)C2)ccn1 |r,wU:18.19,wD:17.17,(-10.95,1.19,;-9.61,1.96,;-8.28,1.19,;-6.94,1.96,;-5.61,1.19,;-4.28,1.96,;-2.94,1.19,;-1.46,1.59,;-1.06,.1,;.28,-.67,;1.61,.1,;2.94,-.67,;2.94,-2.21,;4.28,-2.98,;5.61,-2.21,;5.61,-.67,;4.28,.1,;6.94,.1,;8.28,-.67,;8.28,-2.21,;9.61,.1,;10.95,-.67,;9.61,1.64,;6.94,1.64,;7.71,2.98,;6.17,2.98,;-2.55,-.3,;-5.61,-.35,;-6.94,-1.12,;-8.28,-.35,)|
COc1cc(OC2CC2)cc(c1F)-c1ccc2O[C@@H](CCc3nnn[nH]3)CCc2c1 |r|
COc1cc(OC2CCC2)cc(c1F)-c1ccc2O[C@@H](CCC(O)=O)CCc2c1 |r|
COc1cc(OC2CCC2)nc(c1F)-c1ccc2O[C@@H](CCC(O)=O)CCc2c1 |r|
COc1cc(OCc2cccc(c2)-c2c(C)cccc2C)ccc1CCC(O)=O
COc1cc(Oc2ccc(Cl)cc2Cl)ccc1Cc1sc(=O)[nH]c1O
COc1cc(Oc2ncc(C)s2)cc(c1F)-c1ccc2O[C@@H](CCC(O)=O)CCc2c1 |r|
COc1cc(Oc2ncc(cc2Cl)C(F)(F)F)ccc1Cc1sc(=O)[nH]c1O
COc1cc([C@@H]2C[C@H]2COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)c(F)cn1 |r|
COc1cc(c(F)cn1)-c1ccc(COc2cc(ccn2)[C@@H](CC(O)=O)C2CC2)cc1[C@@H]1CCCC1(C)C |r|
COc1cc(c(F)cn1)-c1ccc(COc2cc(ccn2)[C@H](C)CC(O)=O)cc1[C@@H]1CCCC1(C)C |r|
COc1cc(c(F)cn1)-c1ccc(COc2cc3c(CC[C@]33C[C@H]3C(O)=O)cn2)cc1[C@@H]1CCCC1(C)C |r|
COc1cc(c(F)cn1)-c1ccc(COc2ccc3CCC[C@]4(C[C@H]4C(O)=O)c3c2F)cc1[C@@H]1CCCC1(C)C |r|
COc1cc(c(F)cn1)-c1ccc(COc2ccc3CC[C@](C)(CC(O)=O)c3c2)cc1[C@@H]1CCCC1(C)C |r|
COc1cc(c(F)cn1)-c1ccc(COc2cccc([C@@H](CC(O)=O)C3CC3)c2F)cc1[C@@H]1CCCC1(C)C |r|
COc1cc(c(F)cn1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1C1=CCCC1(C)C |r,t:35|
COc1cc(c(F)cn1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1[C@@H]1CCCC1(C)C |r|
COc1cc(c(F)cn1)-c1ccc(cc1)C1CCCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1cc(c(F)cn1)-c1ccc(cc1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1 |r|
COc1cc(c(F)cn1)-c1ccc(nc1)C1CCCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1cc(c(F)cn1)-c1ccc2[C@@H](CCc2c1)Oc1cccc([C@@H]([C@H](C)C(O)=O)C2CC2)c1F |r|
COc1cc(c(F)cn1)-c1ccc2[C@@H](CCc2c1)Oc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1cc(c(F)cn1)-c1cnc(cn1)[C@@H]1CCCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1cc(c(F)cn1)-c1cnc(cn1)[C@H]1CCCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1cc(c(F)cn1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1-c1ccc(C)s1 |r|
COc1cc(c(F)cn1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1C1=CCCC1(C)C |r,t:35|
COc1cc(c(F)cn1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1CC(C)C |r|
COc1cc(c(F)cn1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OC1CCCC1 |r|
COc1cc(c(F)cn1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OC1CCCCC1 |r|
COc1cc(c(F)cn1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OCC(C)(C)C |r|
COc1cc(c(F)cn1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OCC(C)C |r|
COc1cc(c(F)cn1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OCC1CC1 |r|
COc1cc(ccn1)-c1cc(C)c(c(C)c1)-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
COc1cc(ccn1)-c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:33.37,22.29,wD:35.41,(-12.02,9.69,;-10.99,8.54,;-11.47,7.08,;-10.44,5.93,;-10.91,4.47,;-12.42,4.15,;-13.45,5.29,;-12.97,6.76,;-9.88,3.32,;-8.38,3.64,;-7.35,2.5,;-5.84,2.82,;-7.82,1.04,;-9.33,.71,;-9.8,-.75,;-10.36,1.86,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
COc1cc(ccn1)-c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:33.37,22.29,wD:35.41,(-8.17,7.1,;-7.14,5.95,;-7.62,4.49,;-6.59,3.34,;-7.06,1.88,;-8.57,1.56,;-9.6,2.7,;-9.12,4.17,;-6.03,.73,;-6.51,-.73,;-5.48,-1.88,;-5.95,-3.34,;-3.97,-1.56,;-3.49,-.09,;-1.99,.23,;-4.52,1.05,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
COc1cc(ccn1)-c1ccc(C2CCCc3ccc(cc3O2)[C@@H]([C@H](C)C(O)=O)C2CC2)c(F)c1 |r|
COc1cc(ccn1)-c1ccc(cc1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1 |r|
COc1cc(ccn1)-c1ccc2[C@@H](CCc2c1)Oc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1cc(ccn1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1C1=CCCC1(C)C |r,t:34|
COc1cc(ccn1)C#Cc1ccc(CCC(O)=O)cc1
COc1cc(ccn1)C1CC(COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)C1 |r,wU:20.22,wD:19.20,(-10.28,-4.6,;-8.94,-5.38,;-7.61,-4.6,;-6.28,-5.38,;-4.94,-4.6,;-4.94,-3.06,;-6.28,-2.3,;-7.61,-3.06,;-3.61,-5.38,;-3.21,-6.86,;-1.72,-6.46,;-.39,-7.23,;.94,-6.46,;2.28,-7.23,;2.28,-8.77,;3.61,-9.54,;4.94,-8.77,;4.94,-7.23,;3.61,-6.46,;6.28,-6.46,;7.61,-7.23,;7.61,-8.77,;8.94,-6.46,;10.28,-7.23,;8.94,-4.92,;6.28,-4.92,;7.05,-3.59,;5.51,-3.59,;-2.12,-4.98,)|
COc1cc(ccn1)C1CC(COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)C1 |r,wU:20.22,wD:19.20,(-10.28,1.31,;-8.95,.54,;-7.61,1.31,;-6.28,.54,;-4.94,1.31,;-4.94,2.85,;-6.28,3.62,;-7.61,2.85,;-3.61,.54,;-2.12,.94,;-1.72,-.54,;-.39,-1.31,;.94,-.54,;2.28,-1.31,;2.28,-2.85,;3.61,-3.62,;4.94,-2.85,;4.94,-1.31,;3.61,-.54,;6.28,-.54,;7.61,-1.31,;7.61,-2.85,;8.95,-.54,;10.28,-1.31,;8.95,1,;6.28,1,;7.05,2.33,;5.51,2.33,;-3.21,-.94,)|
COc1cc(ccn1)C1CC(COc2cccc(c2)[C@H]([C@H](C)C(O)=O)C2CC2)C1 |r,wU:19.20,20.22,(-10.28,-4.6,;-8.94,-5.38,;-7.61,-4.6,;-6.28,-5.38,;-4.94,-4.6,;-4.94,-3.06,;-6.28,-2.3,;-7.61,-3.06,;-3.61,-5.38,;-3.21,-6.86,;-1.72,-6.46,;-.39,-7.23,;.94,-6.46,;2.28,-7.23,;2.28,-8.77,;3.61,-9.54,;4.94,-8.77,;4.94,-7.23,;3.61,-6.46,;6.28,-6.46,;7.61,-7.23,;7.61,-8.77,;8.94,-6.46,;10.28,-7.23,;8.94,-4.92,;6.28,-4.92,;7.05,-3.59,;5.51,-3.59,;-2.12,-4.98,)|
COc1ccc(-c2csc3c(Cl)cc(COc4ccc(cc4)[C@H](Cc4nnn[nH]4)C#CC)cc23)c(C)c1 |r|
COc1ccc(-c2csc3c(F)cc(COc4ccc(cc4)[C@H](Cc4nnn[nH]4)C#CC)cc23)c(C)c1 |r|
COc1ccc(-c2csc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)cc23)c(C)n1 |r|
COc1ccc(-c2csc3ccc(COc4ccc(cc4)[C@H](Cc4nnn[nH]4)C#CC)nc23)c(C)c1 |r|
COc1ccc(-c2csc3cnc(COc4ccc(cc4)[C@H](Cc4nnn[nH]4)C#CC)cc23)c(C)c1 |r|
COc1ccc(-c2csc3ncc(COc4ccc(cc4)[C@H](Cc4nnn[nH]4)C#CC)cc23)c(C)c1 |r|
COc1ccc(C(=O)N(C)CC(C)(C)C)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
COc1ccc(C(=O)N(C)c2ccccc2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
COc1ccc(C(=O)N(C)c2ccccn2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
COc1ccc(C(=O)N(CC(C)(C)C#N)c2ccccn2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(c1)N1CCC(COc2cc(ccn2)C(CC(O)=O)C2CC2)CC1
COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(c1)N1CCC(COc2cc(ccn2)[C@@H](CC(O)=O)C2CC2)CC1 |r|
COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(c1)N1CCC(COc2cc(ccn2)[C@H](CC(O)=O)C2CC2)CC1 |r|
COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(c1)N1CCC(COc2cccc(c2)C2(CC(O)=O)COC2)CC1
COc1ccc(C(=O)N(CC(C)(C)C)c2ccccn2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
COc1ccc(C(=O)N(CC(C)(C)OC)c2ccccn2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
COc1ccc(C(=O)N(CC(C)C)c2ccccn2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
COc1ccc(C(C)C)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
COc1ccc(C)c(c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
COc1ccc(C)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
COc1ccc(C)c(c1)N1CC[C@@H](Oc2ccc(cc2)N2N=C([C@@H](C)[C@@H]2CC(O)=O)C(F)(F)F)[C@H](C)C1 |r,c:23|
COc1ccc(C)c(n1)-c1csc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cc12 |r|
COc1ccc(C)cc1NC(=O)c1nnc(s1)C(=O)Nc1ccc(OCC(O)=O)cc1
COc1ccc(C)cc1OC1CC(COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)C1 |r,wU:22.24,wD:21.22,(-9.61,3.62,;-8.28,2.85,;-8.28,1.31,;-9.61,.54,;-9.61,-1,;-8.28,-1.77,;-8.28,-3.31,;-6.94,-1,;-6.94,.54,;-5.61,1.31,;-4.28,.54,;-2.79,.94,;-2.39,-.54,;-1.06,-1.31,;.28,-.54,;1.61,-1.31,;1.61,-2.85,;2.94,-3.62,;4.28,-2.85,;4.28,-1.31,;2.94,-.54,;5.61,-.54,;6.94,-1.31,;6.94,-2.85,;8.28,-.54,;9.61,-1.31,;8.28,1,;5.61,1,;6.38,2.33,;4.84,2.33,;-3.88,-.94,)|
COc1ccc(CCC(C)(C)C)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
COc1ccc(CCC(C)(C)O)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
COc1ccc(CCCC(C)(C)C)c(c1)-c1ccc(COc2cccc(c2)C(CC(O)=O)C2CC2)cc1
COc1ccc(CCCC(C)(C)C)c(c1)N1CC(COc2cccc(c2)C(CC(O)=O)C2CC2)C1
COc1ccc(CCCC(C)(C)C)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
COc1ccc(CN(C)CC(C)C)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
COc1ccc(CNc2ccc(CCC(O)=O)cc2)cc1
COc1ccc(COc2ccc(CCC(O)=O)c(F)c2)cc1-c1c(C)noc1C |(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-2.66,-3.08,;-4,-3.86,;-5.33,-3.09,;-6.66,-3.86,;-6.66,-5.4,;-8,-6.17,;-9.33,-5.39,;-10.67,-6.16,;-10.67,-7.39,;-11.74,-5.54,;-5.33,-6.17,;-5.33,-7.4,;-4,-5.4,;,-1.54,;1.33,-.77,;2.67,-1.54,;4.06,-.91,;4.31,.3,;5.09,-2.05,;4.31,-3.38,;2.81,-3.06,;1.89,-3.88,)|
COc1ccc(COc2ccc(CCC(O)=O)cc2)cc1
COc1ccc(COc2ccc(CCC(O)=O)cc2)cc1-c1c(C)cccc1C |(-8.08,-1.71,;-8.07,-3.25,;-6.73,-4.01,;-5.41,-3.23,;-4.06,-4,;-4.06,-5.54,;-2.72,-6.3,;-1.39,-5.53,;-.05,-6.3,;-.05,-7.83,;1.28,-8.6,;2.61,-7.83,;3.95,-8.59,;5.28,-7.81,;6.62,-8.58,;6.63,-10.12,;7.95,-7.8,;2.6,-6.28,;1.27,-5.52,;-5.39,-6.31,;-6.72,-5.54,;-8.05,-6.32,;-9.38,-5.55,;-9.39,-4.01,;-10.71,-6.32,;-10.71,-7.87,;-9.38,-8.64,;-8.04,-7.87,;-6.71,-8.63,)|
COc1ccc(COc2ccc(cc2)C(CC(O)=O)C#CC)cc1
COc1ccc(COc2ccc(cc2)C(CC(O)=O)C=C)cc1
COc1ccc(COc2ccc(cc2)C(CC(O)=O)c2ccc(F)cc2)cc1
COc1ccc(COc2ccc(cc2)[C@@H](CC(O)=O)C#CC)cc1 |r|
COc1ccc(COc2ccc(cc2)[C@H](CC(O)=O)C#CC)cc1 |r|
COc1ccc(COc2ccc3C(CC(O)=O)COc3c2)cc1-c1c(C)cccc1C |(11.32,-39.26,;11.33,-40.8,;12.67,-41.55,;13.99,-40.78,;15.34,-41.54,;15.34,-43.08,;16.68,-43.85,;18.01,-43.07,;19.35,-43.84,;19.35,-45.38,;20.68,-46.15,;22.02,-45.36,;23.48,-45.83,;23.97,-47.29,;25.48,-47.6,;25.97,-49.06,;26.5,-46.45,;24.38,-44.58,;23.47,-43.34,;22.01,-43.82,;20.67,-43.06,;14.01,-43.86,;12.68,-43.09,;11.36,-43.86,;10.02,-43.09,;10.01,-41.55,;8.69,-43.86,;8.69,-45.41,;10.04,-46.17,;11.36,-45.39,;12.7,-46.15,)|
COc1ccc(COc2ccc3C(CC(O)=O)COc3c2)cc1-n1c(C)ccc1C |(-10.14,-5.49,;-9.08,-6.12,;-7.74,-5.36,;-7.73,-3.82,;-6.39,-3.06,;-5.06,-3.84,;-3.72,-3.07,;-3.72,-1.53,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.57,2.1,;4.13,4.18,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-5.07,-5.38,;-6.41,-6.14,;-6.42,-7.68,;-7.67,-8.55,;-8.84,-8.15,;-7.21,-10.02,;-5.67,-10.03,;-5.18,-8.57,;-4.01,-8.19,)|
COc1ccc(CSc2nnc(SCc3ccc(cc3)C(O)=O)s2)cc1
COc1ccc(Cl)c(c1)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:26|
COc1ccc(Cl)c(c1)N1CCC2(CCC(CC(O)=O)CC2)CC1
COc1ccc(Cl)c(c1)[C@H]1C[C@@H]1COc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1ccc(F)c(COC2CC(COc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)C2)c1 |r,wU:22.23,wD:21.21,(-11.61,1.31,;-10.28,.54,;-8.95,1.31,;-8.95,2.85,;-7.61,3.62,;-6.28,2.85,;-4.94,3.62,;-6.28,1.31,;-4.94,.54,;-3.61,1.31,;-2.28,.54,;-.79,.94,;-.39,-.54,;.94,-1.31,;2.28,-.54,;3.61,-1.31,;3.61,-2.85,;4.94,-3.62,;6.28,-2.85,;6.28,-1.31,;4.94,-.54,;7.61,-.54,;8.95,-1.31,;8.95,-2.85,;10.28,-.54,;11.61,-1.31,;10.28,1,;7.61,1,;8.38,2.33,;6.84,2.33,;-1.88,-.94,;-7.61,.54,)|
COc1ccc(F)c(Cc2cccc(Oc3ccc(cc3)N3C[C@H](C[C@H]3CC(O)=O)C(F)(F)F)c2C)c1 |r|
COc1ccc(F)c(OC2CC(COc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)C2)c1 |r,wU:21.22,wD:20.20,(-10.95,1.19,;-9.61,1.96,;-8.28,1.19,;-8.28,-.35,;-6.94,-1.12,;-5.61,-.35,;-4.28,-1.12,;-5.61,1.19,;-4.28,1.96,;-2.94,1.19,;-1.46,1.59,;-1.06,.1,;.28,-.67,;1.61,.1,;2.94,-.67,;2.94,-2.21,;4.28,-2.98,;5.61,-2.21,;5.61,-.67,;4.28,.1,;6.94,.1,;8.28,-.67,;8.28,-2.21,;9.61,.1,;10.95,-.67,;9.61,1.64,;6.94,1.64,;7.71,2.98,;6.17,2.98,;-2.55,-.3,;-6.94,1.96,)|
COc1ccc(F)c(OC2CC(COc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)C2)c1 |r,wU:21.22,wD:20.20,(-12.42,.33,;-11.17,1.23,;-9.76,.6,;-9.6,-.93,;-8.19,-1.55,;-6.95,-.65,;-5.54,-1.27,;-7.11,.88,;-5.83,1.73,;-4.45,1.05,;-2.98,1.52,;-2.51,.06,;-1.17,-.71,;.16,.06,;1.49,-.71,;1.49,-2.25,;2.83,-3.02,;4.16,-2.25,;4.16,-.71,;2.83,.06,;5.5,.06,;6.83,-.71,;6.83,-2.25,;8.16,.06,;9.5,-.71,;8.16,1.6,;5.5,1.6,;6.32,3.02,;4.67,3.02,;-3.84,-.71,;-8.52,1.51,)|
COc1ccc(F)c(OC2CC(COc3cccc(c3)[C@H]([C@H](C)C(O)=O)C3CC3)C2)c1 |r,wU:20.20,21.22,(-12.42,.33,;-11.17,1.23,;-9.76,.6,;-9.6,-.93,;-8.19,-1.55,;-6.95,-.65,;-5.54,-1.27,;-7.11,.88,;-5.83,1.73,;-4.45,1.05,;-2.98,1.52,;-2.51,.06,;-1.17,-.71,;.16,.06,;1.49,-.71,;1.49,-2.25,;2.83,-3.02,;4.16,-2.25,;4.16,-.71,;2.83,.06,;5.5,.06,;6.83,-.71,;6.83,-2.25,;8.16,.06,;9.5,-.71,;8.16,1.6,;5.5,1.6,;6.32,3.02,;4.67,3.02,;-3.84,-.71,;-8.52,1.51,)|
COc1ccc(F)c([C@H]2C[C@@H]2COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)c1F |r|
COc1ccc(F)c(c1)-c1cc2CC[C@@H](Oc3cccc(c3)[C@@H](CC(O)=O)C3CC3)c2c(F)c1 |r|
COc1ccc(F)c(c1)-c1cc2CC[C@@H](Oc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)c2cc1F |r|
COc1ccc(F)c(c1)-c1cc2CC[C@@H](Oc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)c2cn1 |r|
COc1ccc(F)c(c1)-c1ccc(COc2ccc(CCC(O)=O)cc2)cc1
COc1ccc(F)c(c1)-c1ccc(COc2ccc(cc2)[C@@H](CC(O)=O)C#CC)cc1 |r|
COc1ccc(F)c(c1)-c1ccc(COc2ccc3CCC[C@]4(CC[C@H]4C(O)=O)c3c2)cc1C1=CCCC1(C)C |r,t:38|
COc1ccc(F)c(c1)-c1ccc(COc2ccc3CCC[C@]4(C[C@H]4C(O)=O)c3c2)cc1C1=CCCC1(C)C |r,t:37|
COc1ccc(F)c(c1)-c1ccc(COc2ccc3CCC[C@]4(C[C@H]4C(O)=O)c3c2)cc1[C@@H]1CCCC1(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2ccc3CCC[C@]4(C[C@H]4C(O)=O)c3c2F)cc1[C@@H]1CCCC1(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2ccc3CC[C@@]4(C[C@@H]4C(O)=O)c3c2)cc1C1=CCCC1(C)C |r,t:36|
COc1ccc(F)c(c1)-c1ccc(COc2ccc3CC[C@@]4(C[C@H]4C(O)=O)c3c2)cc1C1=CCCC1(C)C |r,t:36|
COc1ccc(F)c(c1)-c1ccc(COc2ccc3CC[C@H](CC(O)=O)c3c2)cc1C1=CCCC1(C)C |r,t:34|
COc1ccc(F)c(c1)-c1ccc(COc2ccc3CC[C@]4(CC[C@H]4C(O)=O)c3c2)cc1C1=CCCC1(C)C |r,t:37|
COc1ccc(F)c(c1)-c1ccc(COc2ccc3CC[C@]4(C[C@@H]4C(O)=O)c3c2)cc1C1=CCCC1(C)C |r,t:36|
COc1ccc(F)c(c1)-c1ccc(COc2ccc3CC[C@]4(C[C@H]4C(O)=O)c3c2)cc1C1=CCCC1(C)C |r,t:36|
COc1ccc(F)c(c1)-c1ccc(COc2ccc3CC[C@]4(C[C@H]4C(O)=O)c3c2)cc1[C@@H]1CCCC1(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2ccc3CC[C@]4(C[C@H]4C(O)=O)c3c2)cc1[C@H]1CCCC1(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2ccc3C[C@@H]4[C@@H]([C@@H]4c3c2)C(O)=O)cc1C1=CCCC1(C)C |r,t:35|
COc1ccc(F)c(c1)-c1ccc(COc2ccc3C[C@@H]4[C@H]([C@@H]4c3c2)C(O)=O)cc1C1=CCCC1(C)C |r,t:35|
COc1ccc(F)c(c1)-c1ccc(COc2ccc3C[C@H]4[C@@H]([C@H]4c3c2)C(O)=O)cc1C1=CCCC1(C)C |r,t:35|
COc1ccc(F)c(c1)-c1ccc(COc2ccc3C[C@H]4[C@H]([C@H]4c3c2)C(O)=O)cc1C1=CCCC1(C)C |r,t:35|
COc1ccc(F)c(c1)-c1ccc(COc2ccc3C[C@]4(C[C@H]4C(O)=O)c3c2)cc1C1=CCCC1(C)C |r,t:35|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(CCC(O)=O)c2)cc1
COc1ccc(F)c(c1)-c1ccc(COc2cccc(CCC(O)=O)c2)cc1C(C)(C)C
COc1ccc(F)c(c1)-c1ccc(COc2cccc(CCC(O)=O)c2)cc1C1=CCCC1(C)C |t:31|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(CCC(O)=O)c2)cc1[C@@H]1CCCC1(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc([C@@H](CC(O)=O)C3CC3)c2F)cc1[C@@H]1CCCC1(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C(C)C)cc1C(C)(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C(F)(F)F)cc1C(C)(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1 |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1C(C)(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1C1=CCCC1(C)C |r,t:35|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1C1CCCC1(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1CC(C)(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1[C@@H]1CCCC1(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1[C@@H]1OCCCC1(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1[C@H](F)C(C)(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1[C@H]1CCCC1(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1C1=CCCC1(C)C |r,t:35|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1CC(C)(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CCC2)cc1C(C)(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CCC2)cc1[C@@H]1CCCC1(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CCCC2)cc1C(C)(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CCCCC2)cc1C(C)(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)c2ccccc2)cc1C(C)(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H]2C[C@H]2C(O)=O)cc1C1=CCCC1(C)C |r,t:33|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@H](C)CC(O)=O)cc1C(C)(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@H](C)CC(O)=O)cc1[C@@H]1CCCC1(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@H](CC(O)=O)C2CC2)cc1C1=CCCC1(C)C |r,t:35|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@H](CC(O)=O)C2CC2)cc1[C@@H]1CCCC1(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@H](CC2CC2)CC(O)=O)cc1[C@@H]1CCCC1(C)C |r|
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@]2(C)C[C@H]2C(O)=O)cc1C1=CCCC1(C)C |r,t:34|
COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2CCC[C@H]2CC(O)=O)c(C)c1 |r|
COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@@H](C[C@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@H](C[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2N=C(C(C)C2CC(O)=O)c2ccccc2)c(C)c1 |c:23|
COc1ccc(F)c(c1)-c1ccc(Cc2cccc(c2)N2C[C@@H](C[C@@H]2CC(O)=O)c2cccc(Cl)c2)c(C)c1 |r|
COc1ccc(F)c(c1)-c1ccc(cc1)C1CCCc2ccc(cc2O1)[C@@H]([C@H](C)C(=O)O[Na])C1CCC1 |r|
COc1ccc(F)c(c1)-c1ccc(cc1)C1CCc2ccc(cc2N1)[C@@H]([C@H](C)C([O-])=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc(cc1)C1CCc2ccc(cc2N1C)[C@@H]([C@H](C)C([O-])=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc(cc1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc(cc1)C1CCc2ccc(cc2O1)[C@@H]([C@@H](C)C(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc(cc1)C1COc2ccc(cc2N1)[C@@H]([C@H](C)C([O-])=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc(cc1)C1COc2ccc(cc2N1C)[C@@H]([C@H](C)C([O-])=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc(cc1)[C@@H]1CCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc(cc1)[C@H]1CCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc(cc1C#N)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc(cc1C1=CCCC1(C)C)C1CCc2ccc(CCC(O)=O)cc2O1 |t:17|
COc1ccc(F)c(c1)-c1ccc(cc1C1=CCCC1(C)C)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1 |r,t:17|
COc1ccc(F)c(c1)-c1ccc(cc1OC(F)(F)F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc(nc1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc(nc1)C1CCc2ccc(cc2O1)[C@@H]([C@@H](C)C(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc(nc1)C1CCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc2[C@@H](CCc2c1)Oc1cccc([C@@H]([C@H](C)C(O)=O)C2CC2)c1F |r|
COc1ccc(F)c(c1)-c1ccc2[C@@H](CCc2c1)Oc1cccc(c1)[C@@H](CC(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc2[C@@H](CCc2c1)Oc1cccc(c1)[C@@H]([C@@H](C)C(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc2[C@@H](CCc2c1)Oc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc2[C@@H](CCc2c1C1=CCCC1(C)C)Oc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r,t:21|
COc1ccc(F)c(c1)-c1ccc2[C@@H](CCc2c1F)Oc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc2[C@@H](CCc2n1)Oc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc2[C@H](CCc2c1)Oc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ccc2[C@H](COc2c1)Oc1cccc(c1)[C@@H](CC(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1cccc(COc2ccc(CCC(O)=O)s2)c1
COc1ccc(F)c(c1)-c1cccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)c1C |r|
COc1ccc(F)c(c1)-c1cnc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1C1=CCCC1(C)C |r,t:35|
COc1ccc(F)c(c1)-c1cnc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1C1=CCCC1(C)C |r,t:35|
COc1ccc(F)c(c1)-c1cnc2[C@@H](CCc2c1)Oc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1C1=CCCC1(C)C |r,t:35|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1-c1cc(C)cc(C)c1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1-c1ccc(C)s1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1-c1ccc(cc1)C(C)C |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1-c1ccc(s1)C(C)(C)C |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1-c1cccc(C)c1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1-c1cccc(c1)C(C)C |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1-c1ccccc1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1-c1sccc1C |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1C(C)C |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1C(C)C(F)(F)F |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1C1=CCCC1(C)C |r,t:35|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1C1CC1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1CC(C)(C)C |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1N(C)C |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1N(C)C(C)C |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1N1CC2(CCC2)C1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1N1CCCCC1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1N1CCOCC1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1NCC(C)(C)C |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OC(C)C |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OC1CC(C)(C)CC(C)(C)C1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OC1CC(C)(C)OC(C)(C)C1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OC1CCC1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OC1CCCC1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OC1CCCCC1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OC1CCCCCC1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OC1COC1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OCC(C)(C)C |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OCC(C)C |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OCC1C(C)(C)C1(C)C |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OCC1CC(C)(C)C1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OCC1CC1 |r|
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1OCCC(F)(F)F |r|
COc1ccc(F)c(c1)N1CCC(C1)Oc1ccc(cc1)N1C[C@@H](C[C@@H]1CC(O)=O)C(F)(F)F |r|
COc1ccc(F)c(c1)N1CCC(CC1)Oc1ccc(cc1)N1CCC[C@@H]1CC(O)=O |r|
COc1ccc(F)c(c1)N1CCC(CC1)Oc1ccc(cc1)N1C[C@@H](C[C@@H]1CC(O)=O)C(F)(F)F |r|
COc1ccc(F)c(c1)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:26|
COc1ccc(F)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
COc1ccc(F)c(c1)N1CCC(Cc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)CC1 |r|
COc1ccc(F)c(c1)N1CC[C@@H](COc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)C1 |r|
COc1ccc(F)c(c1)N1CC[C@@H](Oc2ccc(cc2)N2N=C([C@@H](C)[C@@H]2CC(O)=O)C(F)(F)F)[C@H](F)C1 |r,c:23|
COc1ccc(F)c(c1)N1CC[C@H](COc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)C1 |r|
COc1ccc(F)c(c1)[C@@H]1C[C@H]1COc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)CC1 |r,wU:9.9,wD:12.13,21.27,(3.3,-21.37,;4.64,-22.13,;5.97,-21.35,;5.96,-19.8,;7.3,-19.03,;8.63,-19.79,;9.96,-19.02,;8.63,-21.34,;7.31,-22.11,;9.96,-22.1,;11.29,-21.32,;12.62,-22.1,;12.62,-23.64,;13.95,-24.41,;15.29,-23.64,;16.62,-24.41,;16.61,-25.95,;17.95,-26.72,;19.28,-25.95,;19.28,-24.41,;17.95,-23.64,;20.61,-23.63,;21.95,-24.4,;23.28,-23.63,;24.62,-24.39,;23.28,-22.08,;20.61,-22.09,;21.37,-20.76,;19.83,-20.76,;11.29,-24.4,;9.96,-23.64,)|
COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@@H]([C@@H](C)C(O)=O)C2CC2)CC1 |r,wU:9.9,wD:12.13,21.28,22.24,(3.87,-39.65,;5.21,-40.41,;6.54,-39.64,;6.53,-38.09,;7.86,-37.31,;9.2,-38.08,;10.53,-37.31,;9.2,-39.62,;7.88,-40.39,;10.53,-40.38,;11.86,-39.61,;13.19,-40.38,;13.19,-41.92,;14.52,-42.7,;15.86,-41.93,;17.19,-42.7,;17.18,-44.24,;18.51,-45.01,;19.85,-44.24,;19.85,-42.69,;18.52,-41.93,;21.18,-41.92,;22.51,-42.69,;22.52,-44.23,;23.85,-41.91,;25.19,-42.68,;23.85,-40.37,;21.18,-40.38,;21.94,-39.05,;20.4,-39.05,;11.86,-42.69,;10.53,-41.92,)|
COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@@H]([C@@H](F)C(O)=O)C2CC2)CC1 |r,wU:9.9,wD:12.13,21.28,22.24,(31.2,-17.91,;32.54,-18.67,;33.86,-17.9,;33.85,-16.35,;35.19,-15.57,;36.52,-16.34,;37.85,-15.57,;36.52,-17.88,;35.2,-18.65,;37.86,-18.64,;39.18,-17.87,;40.51,-18.64,;40.51,-20.18,;41.85,-20.96,;43.18,-20.19,;44.51,-20.96,;44.51,-22.5,;45.84,-23.27,;47.17,-22.5,;47.17,-20.95,;45.84,-20.19,;48.5,-20.18,;49.84,-20.95,;49.84,-22.49,;51.17,-20.17,;52.51,-20.94,;51.17,-18.63,;48.5,-18.64,;49.26,-17.31,;47.72,-17.31,;39.18,-20.95,;37.86,-20.18,)|
COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)CC1 |r,wU:9.9,22.24,wD:12.13,21.28,(3.34,-31.19,;4.68,-31.95,;6.01,-31.17,;6,-29.62,;7.33,-28.85,;8.67,-29.62,;10,-28.84,;8.67,-31.16,;7.35,-31.93,;10,-31.92,;11.33,-31.14,;12.66,-31.92,;12.66,-33.46,;13.99,-34.23,;15.33,-33.46,;16.66,-34.24,;16.65,-35.77,;17.98,-36.54,;19.32,-35.78,;19.32,-34.23,;17.99,-33.46,;20.65,-33.45,;21.98,-34.22,;21.99,-35.76,;23.32,-33.45,;24.66,-34.21,;23.32,-31.91,;20.65,-31.91,;21.41,-30.58,;19.87,-30.59,;11.33,-34.22,;10,-33.46,)|
COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@@H]([C@H](F)C(O)=O)C2CC2)CC1 |r,wU:9.9,22.24,wD:12.13,21.28,(30.67,-7.77,;32.01,-8.53,;33.34,-7.75,;33.33,-6.21,;34.66,-5.43,;35.99,-6.2,;37.33,-5.42,;36,-7.74,;34.67,-8.51,;37.33,-8.5,;38.66,-7.72,;39.99,-8.5,;39.99,-10.04,;41.32,-10.81,;42.65,-10.05,;43.99,-10.82,;43.98,-12.35,;45.31,-13.13,;46.65,-12.36,;46.64,-10.81,;45.31,-10.04,;47.97,-10.04,;49.31,-10.8,;49.31,-12.34,;50.64,-10.03,;51.98,-10.79,;50.64,-8.49,;47.97,-8.5,;48.73,-7.16,;47.19,-7.17,;38.66,-10.8,;37.33,-10.04,)|
COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@H](C2CC2)C(C)(C)C(O)=O)CC1 |r,wU:9.9,wD:12.13,21.23,(55.27,-7.61,;56.61,-8.37,;57.94,-7.59,;57.93,-6.04,;59.27,-5.27,;60.6,-6.03,;61.93,-5.26,;60.6,-7.58,;59.28,-8.35,;61.93,-8.34,;63.26,-7.56,;64.59,-8.34,;64.59,-9.88,;65.93,-10.65,;67.26,-9.88,;68.59,-10.65,;68.59,-12.19,;69.92,-12.96,;71.25,-12.19,;71.25,-10.65,;69.92,-9.88,;72.58,-9.87,;72.58,-8.33,;73.34,-7,;71.8,-7,;73.91,-10.63,;74.68,-11.96,;73.14,-11.96,;75.25,-9.87,;76.59,-10.63,;75.25,-8.32,;63.26,-10.64,;61.93,-9.88,)|
COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@H](C2CC2)C(F)(F)C(O)=O)CC1 |r,wU:9.9,wD:12.13,21.23,(56.82,-17.73,;58.16,-18.5,;59.48,-17.72,;59.47,-16.17,;60.81,-15.39,;62.14,-16.16,;63.47,-15.39,;62.14,-17.7,;60.82,-18.48,;63.48,-18.46,;64.81,-17.69,;66.13,-18.46,;66.13,-20,;67.47,-20.78,;68.8,-20.01,;70.13,-20.78,;70.13,-22.32,;71.46,-23.09,;72.79,-22.32,;72.79,-20.77,;71.46,-20.01,;74.12,-20,;74.12,-18.46,;74.88,-17.13,;73.34,-17.13,;75.45,-20.76,;76.22,-22.09,;74.68,-22.08,;76.79,-19.99,;78.13,-20.76,;76.79,-18.45,;64.81,-20.77,;63.48,-20,)|
COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@H](C2CC2)[C@@](C)(F)C(O)=O)CC1 |r,wU:25.28,9.9,wD:12.13,21.23,(31.08,-28,;32.42,-28.76,;33.75,-27.98,;33.74,-26.43,;35.07,-25.66,;36.41,-26.42,;37.74,-25.65,;36.41,-27.96,;35.09,-28.74,;37.74,-28.73,;39.07,-27.95,;40.4,-28.73,;40.4,-30.27,;41.73,-31.04,;43.07,-30.27,;44.4,-31.04,;44.39,-32.58,;45.72,-33.35,;47.06,-32.58,;47.06,-31.03,;45.73,-30.27,;48.39,-30.26,;48.39,-28.72,;49.15,-27.39,;47.61,-27.39,;49.72,-31.02,;48.95,-32.35,;50.48,-32.35,;51.06,-30.26,;52.4,-31.02,;51.06,-28.71,;39.07,-31.03,;37.74,-30.27,)|
COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@H](C2CC2)[C@](C)(F)C(O)=O)CC1 |r,wU:25.29,9.9,wD:12.13,21.23,(31.9,-37.26,;33.24,-38.02,;34.57,-37.24,;34.56,-35.69,;35.89,-34.92,;37.22,-35.69,;38.56,-34.91,;37.23,-37.23,;35.9,-38,;38.56,-37.99,;39.89,-37.21,;41.22,-37.99,;41.22,-39.53,;42.55,-40.3,;43.88,-39.53,;45.22,-40.31,;45.21,-41.84,;46.54,-42.61,;47.88,-41.85,;47.87,-40.3,;46.54,-39.53,;49.21,-39.53,;49.2,-37.99,;49.97,-36.65,;48.43,-36.66,;50.54,-40.29,;51.3,-41.62,;49.77,-41.61,;51.87,-39.52,;53.21,-40.28,;51.88,-37.98,;39.89,-40.29,;38.56,-39.53,)|
COc1ccc(F)c(c1)[C@H]1C[C@@H]1COc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1ccc(F)cc1CN1CC(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)C1 |r|
COc1ccc(F)cc1CN1CCC(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)C1 |r|
COc1ccc(F)cc1OCc1ccc(CCC(O)=O)cc1
COc1ccc(NC(=O)c2nnc(COc3ccc(CCC(O)=O)cc3)s2)cc1
COc1ccc(OC)c(c1)[C@H]1C[C@@H]1COc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1ccc(OC2CC(COc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)C2)cc1 |r,wU:19.20,wD:18.18,(-10.28,-2.66,;-10.28,-1.12,;-8.95,-.35,;-8.95,1.19,;-7.61,1.96,;-6.28,1.19,;-4.94,1.96,;-3.61,1.19,;-2.12,1.59,;-1.72,.1,;-.39,-.67,;.94,.1,;2.28,-.67,;2.28,-2.21,;3.61,-2.98,;4.94,-2.21,;4.94,-.67,;3.61,.1,;6.28,.1,;7.61,-.67,;7.61,-2.21,;8.95,.1,;10.28,-.67,;8.95,1.64,;6.28,1.64,;7.05,2.98,;5.51,2.98,;-3.21,-.3,;-6.28,-.35,;-7.61,-1.12,)|
COc1ccc(OCc2nnc(s2)C(=O)Nc2ccc(CCC(O)=O)cc2)cc1
COc1ccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)cc1 |r|
COc1ccc(Oc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
COc1ccc([C@H]2C[C@@H]2COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)c(F)c1 |r|
COc1ccc(\C=C\c2cc(OC)cc(OCCCCCCCC(O)=O)c2)cc1
COc1ccc(\C=C\c2cc(OC)cc(OCc3ccc(OCC(O)=O)c(F)c3)c2)cc1
COc1ccc(\C=C\c2cc(OC)cc(OCc3ccc(OCC(O)=O)cc3)c2)cc1
COc1ccc(c(F)c1)-c1ccc2OC[C@H](COc3ccc(cc3)[C@H](CC(O)=O)C#CC)Oc2c1 |r|
COc1ccc(cc1)-c1cc2cc(CCC(O)=O)ccc2[nH]1
COc1ccc(cc1)-c1ccc2OC[C@H](COc3ccc(cc3)[C@H](CC(O)=O)C#CC)Oc2c1 |r|
COc1ccc(cc1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
COc1ccc(cc1)-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r|
COc1ccc(cc1)-c1cccc(OCc2ccc(OCC(O)=O)c(F)c2)c1
COc1ccc(cc1)-c1ccccc1COc1ccc(CCC(O)=O)cc1
COc1ccc(cc1)-c1cn2cc(COc3ccc(cc3)C(CC(O)=O)C#CC)ccc2n1
COc1ccc(cc1)-c1nc(C)c(COc2ccc3C(CC(O)=O)COc3c2)s1
COc1ccc(cc1)C(Cc1nnc(s1)C(=O)Nc1ccc(CCC(O)=O)cc1)c1ccccc1
COc1ccc(cc1)C(OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccc1
COc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(COc2ccc(cc2)C(CC(O)=O)C#CC)s1
COc1ccc(cc1)N1CCN(CC1)c1cccc(COc2ccc(cc2)[C@H](CC([O-])=O)C#CC)c1
COc1ccc(cc1)N1CCN(Cc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cc2)CC1
COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
COc1ccc(cc1)S(=O)(=O)Nc1ccc(N)c(c1)C(F)(F)F
COc1ccc(cc1)[C@H]1C[C@@H]1COc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1ccc(cc1COc1ccc(CCC(O)=O)c(F)c1)-c1c(C)noc1C
COc1ccc(cc1COc1ccc(CCC(O)=O)cc1)-c1c(C)cccc1C
COc1ccc(cc1COc1ccc(CCC(O)=O)cc1C)C(F)(F)F
COc1ccc(cc1F)-c1cccc2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r|
COc1ccc(cc1F)-c1cccc2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r|
COc1ccc(cc1F)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:26|
COc1ccc(cn1)[C@H]1C[C@@H]1COc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1ccc(nc1)-c1ccc(cc1)-c1cc(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c(F)cc1F |r|
COc1ccc(nn1)-c1ccc(cc1)-c1cc(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c(F)cc1F |r|
COc1ccc2CCC(COc3ccc(CCC(O)=O)c(F)c3)Oc2c1
COc1ccc2CN(CCc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)cc3)CCc2c1
COc1ccc2CN(Cc3ccc(COc4ccc(cc4)C(CC(O)=O)C#CC)cc3)CCc2c1
COc1ccc2CN(Cc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)cc3)CCc2c1
COc1ccc2CN(Cc3ccc(COc4ccc(cc4)[C@H](CC([O-])=O)C#CC)cc3)CCc2c1
COc1ccc2N(C)CC3(CCN(Cc4ccc(COc5ccc(cc5)[C@H](CC(O)=O)C#CC)cc4)CC3)c2c1 |r|
COc1ccc2OCC(COc3ccc(CCC(O)=O)c(F)c3)Oc2c1
COc1ccc2OC[C@H](COc3ccc(cc3)[C@H](CC(O)=O)C#CC)Oc2c1 |r|
COc1ccc2cc(ccc2c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
COc1cccc(COc2ccc(cc2)C(CC(O)=O)C#CC)c1
COc1cccc(C[C@@H]2C[C@H]2COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)c1 |r|
COc1cccc(C[C@H]2C[C@@H]2COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)c1 |r|
COc1cccc(F)c1N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:26|
COc1cccc(F)c1OC1CC(COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)C1 |r,wU:22.24,wD:21.22,(-9.61,3.62,;-8.28,2.85,;-8.28,1.31,;-9.61,.54,;-9.61,-1,;-8.28,-1.77,;-6.94,-1,;-5.61,-1.77,;-6.94,.54,;-5.61,1.31,;-4.28,.54,;-2.79,.94,;-2.39,-.54,;-1.06,-1.31,;.28,-.54,;1.61,-1.31,;1.61,-2.85,;2.94,-3.62,;4.28,-2.85,;4.28,-1.31,;2.94,-.54,;5.61,-.54,;6.94,-1.31,;6.94,-2.85,;8.28,-.54,;9.61,-1.31,;8.28,1,;5.61,1,;6.38,2.33,;4.84,2.33,;-3.88,-.94,)|
COc1cccc(NC(=O)c2nnc(COc3ccc(CCC(O)=O)cc3)s2)c1
COc1cccc(NC(=O)c2nnc(s2)C(=O)Nc2ccc(OCC(O)=O)cc2)c1
COc1cccc(OC2CC(COc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)C2)c1 |r,wU:19.19,wD:20.21,(-7.76,-10.94,;-7.76,-9.4,;-6.42,-8.63,;-5.09,-9.4,;-3.76,-8.63,;-3.76,-7.09,;-5.09,-6.32,;-5.09,-4.78,;-3.76,-4.01,;-3.36,-2.53,;-1.87,-2.92,;-.54,-2.15,;.8,-2.92,;2.13,-2.15,;2.13,-.61,;3.46,.16,;4.8,-.61,;4.8,-2.15,;3.46,-2.92,;6.13,-2.92,;7.46,-2.15,;7.46,-.61,;8.8,-2.92,;8.8,-4.46,;10.13,-2.15,;6.13,-4.46,;6.9,-5.8,;5.36,-5.8,;-2.27,-4.41,;-6.42,-7.09,)|
COc1cccc(OC2CC(COc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)C2)c1 |r,wU:19.19,wD:20.21,(-7.76,-6.38,;-7.76,-4.84,;-6.42,-4.07,;-5.09,-4.84,;-3.76,-4.07,;-3.76,-2.53,;-5.09,-1.76,;-5.09,-.22,;-3.76,.55,;-3.36,2.03,;-1.87,1.63,;-.54,2.4,;.8,1.63,;2.13,2.4,;2.13,3.94,;3.46,4.71,;4.8,3.94,;4.8,2.4,;3.46,1.63,;6.13,1.63,;7.46,2.4,;7.46,3.94,;8.8,1.63,;8.8,.09,;10.13,2.4,;6.13,.09,;6.9,-1.24,;5.36,-1.24,;-2.27,.15,;-6.42,-2.53,)|
COc1cccc(OC2CC(COc3cccc(c3)[C@H]([C@H](C)C(O)=O)C3CC3)C2)c1 |r,wD:19.19,20.21,(-7.76,-10.94,;-7.76,-9.4,;-6.42,-8.63,;-5.09,-9.4,;-3.76,-8.63,;-3.76,-7.09,;-5.09,-6.32,;-5.09,-4.78,;-3.76,-4.01,;-3.36,-2.53,;-1.87,-2.92,;-.54,-2.15,;.8,-2.92,;2.13,-2.15,;2.13,-.61,;3.46,.16,;4.8,-.61,;4.8,-2.15,;3.46,-2.92,;6.13,-2.92,;7.46,-2.15,;7.46,-.61,;8.8,-2.92,;8.8,-4.46,;10.13,-2.15,;6.13,-4.46,;6.9,-5.8,;5.36,-5.8,;-2.27,-4.41,;-6.42,-7.09,)|
COc1cccc(OCC(=O)Nc2ccc(OCC(O)=O)c(F)c2)c1
COc1cccc(O[C@@H](CCOc2ccc(CC3SC(=O)NC3=O)cc2)c2ccccc2)c1 |r|
COc1cccc(Oc2cccc(c2)-c2ccc(OCCCC(O)=O)cc2)c1
COc1cccc([C@H]2C[C@@H]2COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)c1F |r|
COc1cccc(c1)-c1cc2cc(CCC(O)=O)ccc2[nH]1
COc1cccc(c1)-c1ccc(COc2ccc(cc2)[C@@H](CC(O)=O)C#CC)cc1 |r|
COc1cccc(c1)-c1ccc(COc2ccc(cc2)[C@H](CC(O)=O)C#CC)cc1 |r|
COc1cccc(c1)-c1ccc(Oc2ccc(cc2)N2N=C(CC2CC(O)=O)C(F)(F)F)c(C)c1 |c:22|
COc1cccc(c1)-c1ccc(cc1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1 |r|
COc1cccc(c1)-c1ccc2OC[C@H](COc3ccc(cc3)[C@H](CC(O)=O)C#CC)Oc2c1 |r|
COc1cccc(c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
COc1cccc(c1)-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r|
COc1cccc(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1C1=CCCC1(C)C |r,t:34|
COc1cccc(c1)-c1noc(COc2ccc(CCC(O)=O)cc2)n1
COc1cccc(c1)-c1noc(COc2ccc(CCC(O)=O)cc2Cl)n1
COc1cccc(c1)C1=CCC(COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)C1 |r,t:9|
COc1cccc(c1)C1CC(COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)C1 |r,wU:20.22,wD:19.20,(-10.28,1.31,;-8.95,.54,;-7.61,1.31,;-7.61,2.85,;-6.28,3.62,;-4.94,2.85,;-4.94,1.31,;-6.28,.54,;-3.61,.54,;-2.12,.94,;-1.72,-.54,;-.39,-1.31,;.94,-.54,;2.28,-1.31,;2.28,-2.85,;3.61,-3.62,;4.94,-2.85,;4.94,-1.31,;3.61,-.54,;6.28,-.54,;7.61,-1.31,;7.61,-2.85,;8.95,-.54,;10.28,-1.31,;8.95,1,;6.28,1,;7.05,2.33,;5.51,2.33,;-3.21,-.94,)|
COc1cccc(c1)C1CC1COc1cccc(c1)[C@@H](CC(O)=O)C1CC1 |r|
COc1cccc(c1)C1CC1COc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1cccc(c1)C1CC1COc1cccc(c1)[C@H](CC(O)=O)C1CC1 |r|
COc1cccc(c1)C1CC1COc1cccc(c1)[C@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1cccc(c1)C1CCC(COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)C1 |r|
COc1cccc(c1)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:25|
COc1cccc(n1)-c1ccc(cc1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1 |r|
COc1cccc2CCCN(Cc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)s3)c12 |r|
COc1ccccc1-c1cc2cc(CCC(O)=O)ccc2[nH]1
COc1ccccc1-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
COc1ccccc1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
COc1ccccc1-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
COc1ccccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r|
COc1ccccc1-c1csc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cc12 |r|
COc1ccccc1OC1CC(COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)C1 |r,wU:21.23,wD:20.21,(-9.61,3.62,;-8.28,2.85,;-8.28,1.31,;-9.61,.54,;-9.61,-1,;-8.28,-1.77,;-6.94,-1,;-6.94,.54,;-5.61,1.31,;-4.28,.54,;-2.79,.94,;-2.39,-.54,;-1.06,-1.31,;.28,-.54,;1.61,-1.31,;1.61,-2.85,;2.94,-3.62,;4.28,-2.85,;4.28,-1.31,;2.94,-.54,;5.61,-.54,;6.94,-1.31,;6.94,-2.85,;8.28,-.54,;9.61,-1.31,;8.28,1,;5.61,1,;6.38,2.33,;4.84,2.33,;-3.88,-.94,)|
COc1cccnc1-c1csc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cc12 |r|
COc1ccnc(OC2CC(COc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)C2)c1 |r,wU:20.21,wD:19.19,(-6.94,-3.2,;-8.28,-2.43,;-8.28,-.89,;-9.61,-.12,;-9.61,1.42,;-8.28,2.19,;-6.94,1.42,;-5.61,2.19,;-4.28,1.42,;-2.79,1.82,;-2.39,.33,;-1.06,-.44,;.28,.33,;1.61,-.44,;1.61,-1.98,;2.94,-2.75,;4.28,-1.98,;4.28,-.44,;2.94,.33,;5.61,.33,;6.94,-.44,;6.94,-1.98,;8.28,.33,;9.61,-.44,;8.28,1.87,;5.61,1.87,;6.38,3.2,;4.84,3.2,;-3.88,-.07,;-6.94,-.12,)|
COc1ccncc1-c1csc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cc12 |r|
COc1cnc(-c2csc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)cc23)c(C)c1 |r|
COc1cnc(cn1)-c1ccc(cc1)-c1cccc2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r|
COc1cnc(cn1)-c1ccc(cc1)-c1cccc2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r|
COc1cncc(c1)[C@H]1C[C@@H]1COc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1cnccc1-c1csc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cc12 |r|
COc1ncc(OC2CC(COc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)C2)cn1 |r,wU:19.20,wD:18.18,(-10.95,-.35,;-9.61,-1.12,;-8.28,-.35,;-8.28,1.19,;-6.94,1.96,;-5.61,1.19,;-4.28,1.96,;-2.94,1.19,;-1.46,1.59,;-1.06,.1,;.28,-.67,;1.61,.1,;2.94,-.67,;2.94,-2.21,;4.28,-2.98,;5.61,-2.21,;5.61,-.67,;4.28,.1,;6.94,.1,;8.28,-.67,;8.28,-2.21,;9.61,.1,;10.95,-.67,;9.61,1.64,;6.94,1.64,;7.71,2.98,;6.17,2.98,;-2.55,-.3,;-5.61,-.35,;-6.94,-1.12,)|
COc1ncc(cc1F)[C@H]1C[C@@H]1COc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1 |r|
COc1nccc(n1)C#Cc1ccc(CCC(O)=O)cc1
COc1ncccc1-c1csc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cc12 |r|
COc1nn(-c2ccc(C)cc2)c2cc(cc(F)c12)-c1ccc(cc1)[C@H]1C[C@@H]1C(O)=O |r|
COc1nn(-c2ccccn2)c2cc(cc(F)c12)-c1ccc(cc1)[C@H]1C[C@@H]1C(O)=O |r|
COc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(CCC(O)=O)cc1
COc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(cc1)[C@H]1C[C@@H]1C(O)=O |r|
CS(=O)(=O)CCCOCc1cccc(c1)C#Cc1ccc(CCC(O)=O)c(F)c1
CS(=O)(=O)CCCOCc1ccccc1C#Cc1ccc(CCC(O)=O)c(F)c1
CS(=O)(=O)CCCOc1cc(F)c(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)cc1F |r|
CS(=O)(=O)CCCOc1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)cc1 |r|
CS(=O)(=O)CCCOc1ccc(c(Cl)c1)-c1cc(F)cc(c1)C1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
CS(=O)(=O)CCCOc1ccc(c(Cl)c1)-c1cc(ccc1F)C1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
CS(=O)(=O)CCCOc1ccc(c(Cl)c1)-c1ccc(F)c(c1)C1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
CS(=O)(=O)CCCOc1ccc(c(Cl)c1)-c1cccc(c1)[C@@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
CS(=O)(=O)CCCOc1ccc(c(Cl)c1)-c1cccc(c1)[C@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
CS(=O)(=O)CCCOc1ccc2CCC(COc3ccc(CCC(O)=O)c(F)c3)Oc2c1
CS(=O)(=O)CCOCc1cccc(c1)C#Cc1ccc(CCC(O)=O)c(F)c1
CS(=O)(=O)CCOCc1ccccc1C#Cc1ccc(CCC(O)=O)c(F)c1
CS(=O)(=O)Cc1cccc(c1)C#Cc1ccc(CCC(O)=O)c(F)c1
CS(=O)(=O)Cc1ccccc1C#Cc1ccc(CCC(O)=O)c(F)c1
CS(=O)(=O)Nc1cccc(CNc2ccc(CCC(O)=O)cc2)c1
CS(=O)(=O)c1ccc(cc1)-c1cccc(COc2ccc(cc2)C#CC(O)=O)c1
CSc1ccc(cc1)-c1ccccc1COc1ccc(CCC(O)=O)cc1
CSc1cccc(c1)-c1ccc(cc1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1 |r|
C[C@@H](C(C1CC1)c1ccc2OCC(Nc2c1)C1CCN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)CC1)C([O-])=O |r|
C[C@@H](Cc1ccc(cc1)-c1ccc2cnn(-c3ccccn3)c2c1)C(O)=O |r|
C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc(NCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1)c1ccccc1
C[C@@H]([C@@H](C1CC1)c1ccc2CCC(C3CCN(Cc4cc(ccc4C(F)(F)F)C(F)(F)F)CC3)N(C)c2c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1ccc2CCC(C3CCN(Cc4cc(ccc4C(F)(F)F)C(F)(F)F)CC3)N(C)c2c1)C([O-])=O |r|
C[C@@H]([C@@H](C1CC1)c1ccc2CCC(Nc2c1)C1CCN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)CC1)C([O-])=O |r|
C[C@@H]([C@@H](C1CC1)c1ccc2CCC[C@@H](Oc2c1)C1CN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)C1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1ccc2CCC[C@H](Oc2c1)C1CN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)C1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1ccc2CCN(Cc2c1)C1CCN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)CC1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1ccc2OCC(C3CCN(Cc4cc(ccc4C(F)(F)F)C(F)(F)F)CC3)N(C)c2c1)C([O-])=O |r|
C[C@@H]([C@@H](C1CC1)c1ccc2OCC(Nc2c1)C1CCN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)CC1)C([O-])=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OC2CN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2(F)CN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)NCc2cc(ccc2C(F)(F)F)C(F)(F)F)c1)C(O)=O |r,wU:1.0,wD:2.6,(8.28,-3.64,;8.28,-2.1,;6.94,-1.33,;6.94,.21,;7.71,1.55,;6.17,1.55,;5.61,-2.1,;5.61,-3.64,;4.28,-4.41,;2.94,-3.64,;2.94,-2.1,;1.61,-1.33,;.28,-2.1,;-1.06,-1.33,;-2.55,-1.72,;-2.94,-.24,;-1.46,.16,;-4.28,.53,;-5.61,-.24,;-6.94,.53,;-8.28,-.24,;-9.61,.53,;-9.61,2.07,;-8.28,2.84,;-6.9,2.1,;-5.56,2.87,;-4.23,3.64,;-6.33,4.2,;-4.79,1.54,;-10.95,-.24,;-12.28,.53,;-10.95,-1.78,;-9.61,-1.01,;4.28,-1.33,;9.61,-1.33,;10.95,-2.1,;9.61,.21,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)OCc2ccccc2)c1)C(O)=O |r,wU:1.0,wD:2.6,(7.61,-2.85,;7.61,-1.31,;6.28,-.54,;6.28,1,;7.05,2.33,;5.51,2.33,;4.94,-1.31,;4.94,-2.85,;3.61,-3.62,;2.28,-2.85,;2.28,-1.31,;.94,-.54,;-.39,-1.31,;-1.72,-.54,;-2.12,.94,;-3.61,.54,;-3.21,-.94,;-4.94,1.31,;-6.28,.54,;-7.61,1.31,;-7.61,2.85,;-8.95,3.62,;-10.28,2.85,;-10.28,1.31,;-8.95,.54,;3.61,-.54,;8.95,-.54,;10.28,-1.31,;8.95,1,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2c(F)cccc2F)c1)C(O)=O |r,wU:1.0,wD:2.6,(6.94,-2.47,;6.94,-.93,;5.61,-.16,;5.61,1.38,;6.38,2.71,;4.84,2.71,;4.28,-.93,;4.28,-2.47,;2.94,-3.24,;1.61,-2.47,;1.61,-.93,;.28,-.16,;-1.06,-.93,;-2.39,-.16,;-2.79,1.33,;-4.28,.93,;-3.88,-.56,;-5.61,1.7,;-6.94,.93,;-8.28,1.7,;-8.28,3.24,;-9.61,.93,;-9.61,-.61,;-8.28,-1.38,;-6.94,-.61,;-5.61,-1.38,;2.94,-.16,;8.28,-.16,;9.61,-.93,;8.28,1.38,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2cc(C)ccc2F)c1)C(O)=O |r,wU:1.0,wD:2.6,(6.94,-2.47,;6.94,-.93,;5.61,-.16,;5.61,1.38,;6.38,2.71,;4.84,2.71,;4.28,-.93,;4.28,-2.47,;2.94,-3.24,;1.61,-2.47,;1.61,-.93,;.28,-.16,;-1.06,-.93,;-2.39,-.16,;-2.79,1.33,;-4.28,.93,;-3.88,-.56,;-5.61,1.7,;-6.94,.93,;-6.94,-.61,;-8.28,-1.38,;-8.28,-2.92,;-9.61,-.61,;-9.61,.93,;-8.28,1.7,;-8.28,3.24,;2.94,-.16,;8.28,-.16,;9.61,-.93,;8.28,1.38,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2cc(C)nn2C)c1)C(O)=O |r,wU:1.0,wD:2.6,(7.57,-2.21,;7.57,-.67,;6.23,.1,;6.23,1.64,;7,2.98,;5.46,2.98,;4.9,-.67,;4.9,-2.21,;3.56,-2.98,;2.23,-2.21,;2.23,-.67,;.9,.1,;-.44,-.67,;-1.77,.1,;-2.17,1.59,;-3.66,1.19,;-3.26,-.3,;-4.99,1.96,;-6.32,1.19,;-7.79,1.67,;-8.69,.42,;-10.23,.42,;-7.79,-.82,;-6.32,-.35,;-4.99,-1.12,;3.56,.1,;8.9,.1,;10.23,-.67,;8.9,1.64,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2cc(F)ccc2F)c1)C(O)=O |r,wU:1.0,wD:2.6,(7.61,-2.21,;7.61,-.67,;6.28,.1,;6.28,1.64,;7.05,2.98,;5.51,2.98,;4.94,-.67,;4.94,-2.21,;3.61,-2.98,;2.28,-2.21,;2.28,-.67,;.94,.1,;-.39,-.67,;-1.72,.1,;-2.12,1.59,;-3.61,1.19,;-3.21,-.3,;-4.94,1.96,;-6.28,1.19,;-7.61,1.96,;-8.95,1.19,;-10.28,1.96,;-8.95,-.35,;-7.61,-1.12,;-6.28,-.35,;-4.94,-1.12,;3.61,.1,;8.95,.1,;10.28,-.67,;8.95,1.64,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2ccc(OC(F)F)nc2)c1)C(O)=O |r,wU:1.0,wD:2.6,(8.95,-2.21,;8.95,-.67,;7.61,.1,;7.61,1.64,;8.38,2.98,;6.84,2.98,;6.28,-.67,;6.28,-2.21,;4.94,-2.98,;3.61,-2.21,;3.61,-.67,;2.28,.1,;.94,-.67,;-.39,.1,;-.79,1.59,;-2.28,1.19,;-1.88,-.3,;-3.61,1.96,;-4.94,1.19,;-6.28,1.96,;-7.61,1.19,;-7.61,-.35,;-8.95,-1.12,;-10.28,-.35,;-11.61,-1.12,;-10.28,1.19,;-6.28,-1.12,;-4.94,-.35,;4.94,.1,;10.28,.1,;11.61,-.67,;10.28,1.64,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2ccc3C(=O)OCc3c2)c1)C(O)=O |r,wU:1.0,wD:2.6,(8.13,-2.21,;8.13,-.67,;6.8,.1,;6.8,1.64,;7.57,2.98,;6.03,2.98,;5.46,-.67,;5.46,-2.21,;4.13,-2.98,;2.79,-2.21,;2.79,-.67,;1.46,.1,;.13,-.67,;-1.21,.1,;-1.6,1.59,;-3.09,1.19,;-2.69,-.3,;-4.43,1.96,;-5.76,1.19,;-5.76,-.35,;-7.09,-1.12,;-8.43,-.35,;-9.89,-.82,;-10.66,-2.16,;-10.8,.42,;-9.89,1.67,;-8.43,1.19,;-7.09,1.96,;4.13,.1,;9.46,.1,;10.8,-.67,;9.46,1.64,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2cccc(O)c2)c1)C(O)=O |r,wU:1.0,wD:2.6,(7.61,-2.21,;7.61,-.67,;6.28,.1,;6.28,1.64,;7.05,2.98,;5.51,2.98,;4.94,-.67,;4.94,-2.21,;3.61,-2.98,;2.28,-2.21,;2.28,-.67,;.94,.1,;-.39,-.67,;-1.72,.1,;-2.12,1.59,;-3.61,1.19,;-3.21,-.3,;-4.94,1.96,;-6.28,1.19,;-6.28,-.35,;-7.61,-1.12,;-8.95,-.35,;-8.95,1.19,;-10.28,1.96,;-7.61,1.96,;3.61,.1,;8.95,.1,;10.28,-.67,;8.95,1.64,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2cccc(c2)-c2ccccc2)c1)C(O)=O |r,wU:1.0,wD:2.6,(8.95,-2.85,;8.95,-1.31,;7.61,-.54,;7.61,1,;8.38,2.33,;6.84,2.33,;6.28,-1.31,;6.28,-2.85,;4.94,-3.62,;3.61,-2.85,;3.61,-1.31,;2.28,-.54,;.94,-1.31,;-.39,-.54,;-.79,.94,;-2.28,.54,;-1.88,-.94,;-3.61,1.31,;-4.94,.54,;-4.94,-1,;-6.28,-1.77,;-7.61,-1,;-7.61,.54,;-6.28,1.31,;-8.95,1.31,;-8.95,2.85,;-10.28,3.62,;-11.61,2.85,;-11.61,1.31,;-10.28,.54,;4.94,-.54,;10.28,-.54,;11.61,-1.31,;10.28,1,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2cccc(c2)C(F)(F)F)c1)C(O)=O |r,wU:1.0,wD:2.6,(7.61,-2.21,;7.61,-.67,;6.28,.1,;6.28,1.64,;7.05,2.98,;5.51,2.98,;4.94,-.67,;4.94,-2.21,;3.61,-2.98,;2.28,-2.21,;2.28,-.67,;.94,.1,;-.39,-.67,;-1.72,.1,;-2.12,1.59,;-3.61,1.19,;-3.21,-.3,;-4.94,1.96,;-6.28,1.19,;-6.28,-.35,;-7.61,-1.12,;-8.95,-.35,;-8.95,1.19,;-7.61,1.96,;-10.28,1.96,;-11.61,1.19,;-10.28,3.5,;-10.28,.42,;3.61,.1,;8.95,.1,;10.28,-.67,;8.95,1.64,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2cccc3CC(C)(C)Oc23)c1)C(O)=O |r,wU:1.0,wD:2.6,(7.75,-3.28,;7.75,-1.74,;6.41,-.97,;6.41,.57,;7.18,1.91,;5.64,1.91,;5.08,-1.74,;5.08,-3.28,;3.75,-4.05,;2.41,-3.28,;2.41,-1.74,;1.08,-.97,;-.25,-1.74,;-1.59,-.97,;-1.99,.52,;-3.47,.12,;-3.08,-1.37,;-4.81,.89,;-6.14,.12,;-6.14,-1.42,;-7.47,-2.19,;-8.81,-1.42,;-8.81,.12,;-9.95,1.15,;-9.33,2.56,;-10.42,3.65,;-8.93,4.05,;-7.8,2.4,;-7.47,.89,;3.75,-.97,;9.08,-.97,;10.42,-1.74,;9.08,.57,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2ccccc2)c1)C(O)=O |r,wU:1.0,wD:2.6,(6.94,-2.21,;6.94,-.67,;5.61,.1,;5.61,1.64,;6.38,2.98,;4.84,2.98,;4.28,-.67,;4.28,-2.21,;2.94,-2.98,;1.61,-2.21,;1.61,-.67,;.28,.1,;-1.06,-.67,;-2.39,.1,;-3.88,-.3,;-4.28,1.19,;-2.79,1.59,;-5.61,1.96,;-6.94,1.19,;-8.28,1.96,;-9.61,1.19,;-9.61,-.35,;-8.28,-1.12,;-6.94,-.35,;2.94,.1,;8.28,.1,;9.61,-.67,;8.28,1.64,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2ccccc2-c2ccccc2)c1)C(O)=O |r,wU:1.0,wD:2.6,(6.94,-4.01,;6.94,-2.47,;5.61,-1.7,;5.61,-.16,;6.38,1.17,;4.84,1.17,;4.28,-2.47,;4.28,-4.01,;2.94,-4.78,;1.61,-4.01,;1.61,-2.47,;.28,-1.7,;-1.06,-2.47,;-2.39,-1.7,;-2.79,-.21,;-4.28,-.61,;-3.88,-2.1,;-5.61,.16,;-6.94,-.61,;-6.94,-2.15,;-8.28,-2.92,;-9.61,-2.15,;-9.61,-.61,;-8.28,.16,;-8.28,1.7,;-6.94,2.47,;-6.94,4.01,;-8.28,4.78,;-9.61,4.01,;-9.61,2.47,;2.94,-1.7,;8.28,-1.7,;9.61,-2.47,;8.28,-.16,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2ccccc2Cl)c1)C(O)=O |r,wU:1.0,wD:2.6,(6.94,-2.47,;6.94,-.93,;5.61,-.16,;5.61,1.38,;6.38,2.71,;4.84,2.71,;4.28,-.93,;4.28,-2.47,;2.94,-3.24,;1.61,-2.47,;1.61,-.93,;.28,-.16,;-1.06,-.93,;-2.39,-.16,;-2.79,1.33,;-4.28,.93,;-3.88,-.56,;-5.61,1.7,;-6.94,.93,;-6.94,-.61,;-8.28,-1.38,;-9.61,-.61,;-9.61,.93,;-8.28,1.7,;-8.28,3.24,;2.94,-.16,;8.28,-.16,;9.61,-.93,;8.28,1.38,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2ccccc2F)c1)C(O)=O |r,wU:1.0,wD:2.6,(6.94,-2.47,;6.94,-.93,;5.61,-.16,;5.61,1.38,;6.38,2.71,;4.84,2.71,;4.28,-.93,;4.28,-2.47,;2.94,-3.24,;1.61,-2.47,;1.61,-.93,;.28,-.16,;-1.06,-.93,;-2.39,-.16,;-2.79,1.33,;-4.28,.93,;-3.88,-.56,;-5.61,1.7,;-6.94,.93,;-6.94,-.61,;-8.28,-1.38,;-9.61,-.61,;-9.61,.93,;-8.28,1.7,;-8.28,3.24,;2.94,-.16,;8.28,-.16,;9.61,-.93,;8.28,1.38,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2ccccn2)c1)C(O)=O |r,wU:1.0,wD:2.6,(6.94,-7.31,;6.94,-5.77,;5.61,-5,;5.61,-3.46,;6.38,-2.13,;4.84,-2.13,;4.28,-5.77,;4.28,-7.31,;2.94,-8.08,;1.61,-7.31,;1.61,-5.77,;.28,-5,;-1.06,-5.77,;-2.39,-5,;-3.88,-5.4,;-4.28,-3.91,;-2.79,-3.51,;-5.61,-3.14,;-6.94,-3.91,;-6.94,-5.45,;-8.28,-6.22,;-9.61,-5.45,;-9.61,-3.91,;-8.28,-3.14,;2.94,-5,;8.28,-5,;9.61,-5.77,;8.28,-3.46,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2cccnc2)c1)C(O)=O |r,wU:1.0,wD:2.6,(6.94,-2.21,;6.94,-.67,;5.61,.1,;5.61,1.64,;6.38,2.98,;4.84,2.98,;4.28,-.67,;4.28,-2.21,;2.94,-2.98,;1.61,-2.21,;1.61,-.67,;.28,.1,;-1.06,-.67,;-2.39,.1,;-2.79,1.59,;-4.28,1.19,;-3.88,-.3,;-5.61,1.96,;-6.94,1.19,;-8.28,1.96,;-9.61,1.19,;-9.61,-.35,;-8.28,-1.12,;-6.94,-.35,;2.94,.1,;8.28,.1,;9.61,-.67,;8.28,1.64,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2ccn[nH]2)c1)C(O)=O |r,wU:1.0,wD:2.6,(6.8,-2.21,;6.8,-.67,;5.46,.1,;5.46,1.64,;6.23,2.98,;4.69,2.98,;4.13,-.67,;4.13,-2.21,;2.79,-2.98,;1.46,-2.21,;1.46,-.67,;.13,.1,;-1.21,-.67,;-2.54,.1,;-2.94,1.59,;-4.43,1.19,;-4.03,-.3,;-5.76,1.96,;-7.09,1.19,;-8.56,1.67,;-9.46,.42,;-8.56,-.82,;-7.09,-.35,;2.79,.1,;8.13,.1,;9.46,-.67,;8.13,1.64,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2ccnc3OCCOc23)c1)C(O)=O |r,wU:1.0,wD:2.6,(7.61,-2.85,;7.61,-1.31,;6.28,-.54,;6.28,1,;7.05,2.33,;5.51,2.33,;4.94,-1.31,;4.94,-2.85,;3.61,-3.62,;2.28,-2.85,;2.28,-1.31,;.94,-.54,;-.39,-1.31,;-1.72,-.54,;-2.12,.94,;-3.61,.54,;-3.21,-.94,;-4.94,1.31,;-6.28,.54,;-6.28,-1,;-7.61,-1.77,;-8.95,-1,;-8.95,.54,;-10.28,1.31,;-10.28,2.85,;-8.95,3.62,;-7.61,2.85,;-7.61,1.31,;3.61,-.54,;8.95,-.54,;10.28,-1.31,;8.95,1,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2ccnn2C)c1)C(O)=O |r,wU:1.0,wD:2.6,(6.8,-2.21,;6.8,-.67,;5.46,.1,;5.46,1.64,;6.23,2.98,;4.69,2.98,;4.13,-.67,;4.13,-2.21,;2.79,-2.98,;1.46,-2.21,;1.46,-.67,;.13,.1,;-1.21,-.67,;-2.54,.1,;-2.94,1.59,;-4.43,1.19,;-4.03,-.3,;-5.76,1.96,;-7.09,1.19,;-8.56,1.67,;-9.46,.42,;-8.56,-.82,;-7.09,-.35,;-5.76,-1.12,;2.79,.1,;8.13,.1,;9.46,-.67,;8.13,1.64,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2nn(C)c(c2C)C(F)(F)F)c1)C(O)=O |r,wU:1.0,wD:2.6,(7.57,-2.22,;7.57,-.68,;6.23,.09,;6.23,1.63,;7,2.96,;5.46,2.96,;4.9,-.68,;4.9,-2.22,;3.56,-2.99,;2.23,-2.22,;2.23,-.68,;.9,.09,;-.44,-.68,;-1.77,.09,;-2.17,1.58,;-3.66,1.18,;-3.26,-.31,;-4.99,1.95,;-6.32,1.18,;-6.32,-.36,;-7.79,-.84,;-8.56,-2.17,;-8.69,.41,;-7.79,1.66,;-8.56,2.99,;-10.23,.41,;-11,1.74,;-11,-.92,;-9.46,-.92,;3.56,.09,;8.9,.09,;10.23,-.68,;8.9,1.63,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)c2ccccc2)c1)C(O)=O |r,wU:1.0,wD:2.6,(6.28,-2.85,;6.28,-1.31,;4.94,-.54,;4.94,1,;5.71,2.33,;4.17,2.33,;3.61,-1.31,;3.61,-2.85,;2.28,-3.62,;.94,-2.85,;.94,-1.31,;-.39,-.54,;-1.72,-1.31,;-3.06,-.54,;-3.46,.94,;-4.94,.54,;-4.55,-.94,;-6.28,1.31,;-6.28,2.85,;-7.61,3.62,;-8.95,2.85,;-8.95,1.31,;-7.61,.54,;2.28,-.54,;7.61,-.54,;8.95,-1.31,;7.61,1,)|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC2Cc2ccccc2)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC2c2ccccc2)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CCN(C2)[C@@H](C)c2cc(ccc2C(F)(F)F)C(F)(F)F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CCN(C2)[C@H](C)c2cc(ccc2C(F)(F)F)C(F)(F)F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CCN(CC2)C(C)c2cc(ccc2C(F)(F)F)C(F)(F)F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CCN(CC2)c2cc(ccn2)C(F)(F)F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CCN(CC2)c2cccc(n2)C(F)(F)F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CCN(CC2)c2ncccc2C(F)(F)F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)CC2)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CN(C2)C(C)c2cc(ccc2C(F)(F)F)C(F)(F)F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CN(C2)c2cc(ccc2C(F)(F)F)C(F)(F)F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CN(C2)c2cc(ccn2)C(F)(F)F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CN(C2)c2cccc(n2)C(F)(F)F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CN(C2)c2ncccc2C(F)(F)F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)CCO2)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@@H]2CCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@H]2CCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@H]2C[C@@H]2c2cc(Cl)ccc2F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@H]2C[C@@H]2c2cc(F)ccc2F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@H]2C[C@@H]2c2cc(OC(F)(F)F)ccc2Cl)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@H]2C[C@@H]2c2cc(OC(F)(F)F)ccc2F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@H]2C[C@@H]2c2cc(ccc2C(F)(F)F)C(F)(F)F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@H]2C[C@@H]2c2cc(ccc2Cl)C(F)(F)F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@H]2C[C@@H]2c2cc(ccc2F)C(F)(F)F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@H]2C[C@@H]2c2ccc(Cl)c(c2)C(F)(F)F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@H]2C[C@@H]2c2ccc(F)c(c2)C(F)(F)F)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@H]2C[C@@H]2c2cccc(OC(F)(F)F)c2)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@H]2C[C@@H]2c2cccc(OC3CC3)c2)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@H]2C[C@@H]2c2cccnc2)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(O[C@@H]2CCCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O |r|
C[C@@H]([C@@H](C1CC1)c1cccc(O[C@H]2CCCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O |r|
C[C@@H]([C@H](C1CC1)c1ccc2CC[C@@H](Oc2c1)C1CCN(CC1)[C@@H](C)c1cc(F)ccc1OC(F)(F)F)C(O)=O |r|
C[C@@H]([C@H](C1CC1)c1cccc(OCC2CC(C2)Oc2ccccn2)c1)C(O)=O |r,wU:2.6,1.0,(6.94,-7.31,;6.94,-5.77,;5.61,-5,;5.61,-3.46,;6.38,-2.13,;4.84,-2.13,;4.28,-5.77,;4.28,-7.31,;2.94,-8.08,;1.61,-7.31,;1.61,-5.77,;.28,-5,;-1.06,-5.77,;-2.39,-5,;-3.88,-5.4,;-4.28,-3.91,;-2.79,-3.51,;-5.61,-3.14,;-6.94,-3.91,;-6.94,-5.45,;-8.28,-6.22,;-9.61,-5.45,;-9.61,-3.91,;-8.28,-3.14,;2.94,-5,;8.28,-5,;9.61,-5.77,;8.28,-3.46,)|
C[C@H](Cc1ccc(cc1)-c1ccc2cnn(-c3ccccn3)c2c1)C(O)=O |r|
C[C@H]1CCN([C@@H]1CC(O)=O)c1ccc(Cc2ccccc2C)cc1 |r|
C[C@H]1CC[C@@H](CC(O)=O)N1c1ccc(Cc2ccccc2C)cc1 |r|
C[C@H]1C[C@@H](CC(O)=O)N(C1)c1ccc(Cc2ccccc2C)cc1 |r|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2c(C)cccc2C)cc1 |r,c:8|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2c(C)cccc2F)cc1 |r,c:8|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cc(C)ccc2C#N)cc1 |r,c:8|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cc(C)ccc2Cl)cc1 |r,c:8|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cc(C)ccc2F)cc1 |r,c:8|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cc(Cl)ccc2Cl)cc1 |r,c:8|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cc(Cl)ccc2F)cc1 |r,c:8|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cc(F)ccc2Cl)cc1 |r,c:8|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cc(F)ccc2F)cc1 |r,c:8|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2ccc(Cl)cc2)cc1 |r,c:8|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2ccc(F)cc2)cc1 |r,c:8|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cccc(F)n2)cc1 |r,c:8|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2ccccc2)cc1 |r,c:8|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2ccccc2C)cc1 |r,c:8|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2ccccc2Cl)cc1 |r,c:8|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2ccccn2)cc1 |r,c:8|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cccnc2)cc1 |r,c:8|
C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2nc(C)ccc2F)cc1 |r,c:8|
C\C(=C\CO)C#Cc1ccc(CCC(O)=O)c(F)c1
C\C=C(/C)C#Cc1ccc(CCC(O)=O)c(F)c1
C\C=C(\C)C#Cc1ccc(CCC(O)=O)c(F)c1
C\C=C/C#Cc1ccc(CCC(O)=O)c(F)c1
C\C=C\C#Cc1ccc(CCC(O)=O)c(F)c1
C\C=C\COc1ccc(cc1)C(CC(O)=O)c1ccccc1
Cc1c(C)c(OCc2ccccc2SC(F)(F)F)ccc1CCC(O)=O
Cc1c(C)c(c(C)c(C)c1OC1CCS(=O)(=O)CC1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Cc1c(C)c(c(C)c(C)c1OCCCS(C)(=O)=O)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Cc1c(Cl)c(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Cc1c(Cl)cccc1-c1cc2cc(CCC(O)=O)ccc2[nH]1
Cc1c(Cl)cccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r|
Cc1c(Cl)cccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Cc1c(Cl)nc(Cl)cc1C#Cc1ccc(CCC(O)=O)cc1
Cc1c(Cl)nccc1C#Cc1ccc(CCC(O)=O)cc1
Cc1c(F)nccc1C#Cc1ccc(CCC(O)=O)cc1
Cc1cc(Br)ccc1-c1cc2cc(CCC(O)=O)ccc2[nH]1
Cc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(cc2)C#CC(O)=O)c1
Cc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Cc1cc(C)c(c(C)c1)-c1cccc(c1)C1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
Cc1cc(C)c(c(F)c1)-c1cccc(c1)-c1cc2cc(CCC(O)=O)ccc2o1
Cc1cc(C)cc(COc2ccc(CCC(O)=O)cc2C)c1
Cc1cc(C)cc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1
Cc1cc(C)cc(c1)-c1cccc(c1)C1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
Cc1cc(C)cc(c1)C#Cc1ccc(CCC(O)=O)cc1
Cc1cc(CC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:30.33,19.25,wD:32.37,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-7.06,1.88,;-6.58,3.34,;-7.62,4.49,;-5.08,3.66,;-5.55,2.2,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
Cc1cc(CCC(O)=O)cc(C)c1OCc1ccccc1SC(F)(F)F
Cc1cc(CCC(O)=O)ccc1OCc1cccc(Cl)c1
Cc1cc(CCC(O)=O)ccc1OCc1cccc(Oc2ccccc2)c1
Cc1cc(CCC(O)=O)ccc1OCc1cccc(c1)C(F)(F)F
Cc1cc(CCC(O)=O)ccc1OCc1ccccc1
Cc1cc(CCC(O)=O)ccc1OCc1ccccc1Br
Cc1cc(CCC(O)=O)ccc1OCc1ccccc1C(F)(F)F
Cc1cc(CCC(O)=O)ccc1OCc1ccccc1Cl
Cc1cc(CCC(O)=O)ccc1OCc1ccccc1SC(F)(F)F
Cc1cc(CO)cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1cc(CO)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:27.30,16.22,wD:29.34,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(CO)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:27.30,16.22,wD:29.34,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-7.06,1.88,;-8.57,1.56,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
Cc1cc(COc2ccc(CCC(O)=O)cc2C)cc(Oc2ccccc2)c1
Cc1cc(Cc2ccccc2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.36,21.28,wD:34.40,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-7.06,1.88,;-6.59,3.34,;-5.08,3.66,;-4.6,5.13,;-5.63,6.27,;-7.14,5.95,;-7.62,4.49,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
Cc1cc(Cl)ccc1-c1cc2cc(CCC(O)=O)ccc2[nH]1
Cc1cc(Cl)ccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r|
Cc1cc(Cl)ccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1C |r|
Cc1cc(Cl)ccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2ncnn2C)c1 |r|
Cc1cc(Cl)ccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nnnn2C)c1 |r|
Cc1cc(F)cc(C)c1-c1cccc(c1)-c1cc2cc(CCC(O)=O)ccc2o1
Cc1cc(F)ccc1-c1cc2cc(CCC(O)=O)ccc2[nH]1
Cc1cc(F)ccc1-c1cc2cc(CCC(O)=O)ccc2n1C
Cc1cc(F)ccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r|
Cc1cc(F)ccc1-c1cccc(c1)C1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
Cc1cc(N)ccc1-c1cc(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c(F)cc1F |r|
Cc1cc(NS(=O)(=O)c2ccccc2)ccc1N
Cc1cc(O)cc(C)c1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Cc1cc(O)ccc1-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
Cc1cc(OC2CCC2)cc(c1)-c1ccc2oc(CCC(O)=O)cc2c1
Cc1cc(OC2CCOCC2)cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1cc(OC2CCOCC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cc2OC[C@@H](CC(O)=O)c2cn1 |r,wU:31.35,wD:21.28,(-5.57,1.62,;-5.09,.16,;-6.12,-.98,;-5.65,-2.45,;-6.68,-3.59,;-8.19,-3.27,;-8.66,-1.81,;-10.17,-1.49,;-11.2,-2.63,;-10.72,-4.1,;-9.22,-4.42,;-4.14,-2.77,;-3.11,-1.62,;-1.61,-1.94,;-3.59,-.16,;-2.56,.98,;-3.03,2.45,;-2,3.59,;-.5,3.27,;.53,4.42,;-.02,1.81,;1.39,1.18,;1.23,-.35,;-.28,-.67,;-1.05,.66,;2.72,1.95,;4.05,1.18,;5.39,1.95,;6.72,1.18,;8.19,1.66,;9.09,.41,;8.19,-.83,;8.66,-2.3,;10.17,-2.62,;11.2,-1.47,;10.64,-4.08,;6.72,-.36,;5.39,-1.13,;4.05,-.36,)|
Cc1cc(OC2CCOCC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.36,21.28,wD:34.40,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-8.93,6.25,;-8.45,7.72,;-9.49,8.86,;-10.99,8.54,;-11.47,7.08,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(OC2CCOCC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.36,21.28,wD:34.40,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-7.06,1.88,;-8.57,1.56,;-9.6,2.7,;-11.1,2.38,;-11.58,.92,;-10.55,-.23,;-9.04,.09,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
Cc1cc(OC2CCOCC2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Cc1cc(OC2CCOCC2)ccc1-c1csc2ccc(COc3ccc(cc3)C3(CC(O)=O)CC(=O)C3)cc12
Cc1cc(OC2CCOCC2)ccc1-c1csc2ccc(COc3ccc(cc3)[C@@]3(CC(O)=O)C[C@H](O)C3)cc12 |r,wU:29.31,wD:35.38,(-2.44,.18,;-3.92,-.22,;-4.32,-1.7,;-5.81,-2.1,;-6.21,-3.59,;-7.7,-3.99,;-8.78,-2.9,;-10.27,-3.3,;-10.67,-4.79,;-9.58,-5.87,;-8.09,-5.48,;-6.9,-1.01,;-6.5,.47,;-5.01,.87,;-4.61,2.36,;-5.86,3.27,;-5.38,4.73,;-3.84,4.73,;-2.81,5.87,;-1.31,5.55,;-.83,4.09,;.66,3.69,;1.06,2.2,;2.54,1.81,;2.94,.32,;4.43,-.08,;5.52,1.01,;5.12,2.5,;3.63,2.89,;7.01,.61,;8.09,1.7,;9.58,1.3,;10.67,2.39,;9.98,-.19,;8.34,-.16,;7.57,-1.49,;7.97,-2.98,;6.24,-.72,;-1.86,2.95,;-3.37,3.27,)|
Cc1cc(OC2CCS(=O)(=O)CC2)c(F)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3[C@@H](CC(O)=O)COc3c2)c1 |r|
Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Cc1cc(OC2CCS(=O)(=O)CC2)ccc1-c1csc2ccc(COc3ccc(cc3)C3(CC(O)=O)CC(=O)C3)cc12
Cc1cc(OC2CCS(=O)(=O)CC2)ccc1-c1csc2ccc(COc3ccc(cc3)[C@@]3(CC(O)=O)C[C@H](O)C3)cc12 |r,wU:31.33,wD:37.40,(-1.69,.18,;-3.18,-.22,;-3.58,-1.7,;-5.07,-2.1,;-5.46,-3.59,;-6.95,-3.99,;-8.04,-2.9,;-9.53,-3.3,;-9.93,-4.79,;-11.41,-4.39,;-11.02,-5.87,;-8.84,-5.87,;-7.35,-5.48,;-6.15,-1.01,;-5.76,.47,;-4.27,.87,;-3.87,2.36,;-5.12,3.27,;-4.64,4.73,;-3.1,4.73,;-2.07,5.87,;-.56,5.55,;-.09,4.09,;1.4,3.69,;1.8,2.2,;3.29,1.81,;3.68,.32,;5.17,-.08,;6.26,1.01,;5.86,2.5,;4.38,2.89,;7.75,.61,;8.84,1.7,;10.33,1.3,;11.41,2.39,;10.72,-.19,;9.08,-.16,;8.31,-1.49,;8.71,-2.98,;6.98,-.72,;-1.12,2.95,;-2.62,3.27,)|
Cc1cc(OCC(C)(C)C#N)cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1cc(OCC(C)(C)C#N)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.35,21.27,wD:34.39,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-12.97,6.76,;-11.94,5.61,;-10.99,8.54,;-10.67,10.05,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(OCC(C)(C)O)cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1cc(OCC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cc2OC[C@@H](CC(O)=O)c2cn1 |r,wU:30.33,wD:20.26,(-2.12,-2.11,;-3.63,-1.79,;-4.66,-2.94,;-6.16,-2.62,;-7.19,-3.76,;-8.7,-3.44,;-9.18,-1.98,;-8.15,-.83,;-9.95,-3.31,;-10.68,-1.66,;-6.64,-1.15,;-5.61,-.01,;-6.09,1.46,;-4.1,-.33,;-3.07,.82,;-3.55,2.28,;-2.52,3.43,;-1.01,3.11,;.02,4.25,;-.54,1.64,;.87,1.01,;.71,-.52,;-.8,-.84,;-1.57,.5,;2.2,1.78,;3.54,1.01,;4.87,1.78,;6.21,1.01,;7.67,1.49,;8.58,.24,;7.67,-1,;8.15,-2.47,;9.65,-2.79,;10.68,-1.64,;10.13,-4.25,;6.21,-.53,;4.87,-1.29,;3.54,-.53,)|
Cc1cc(OCC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:31.34,20.26,wD:33.38,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-12.97,6.76,;-10.99,8.54,;-11.94,5.61,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(OCC(O)=O)cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1cc(OCC(O)=O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:30.33,19.25,wD:32.37,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-10.99,8.54,;-12.97,6.76,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(OCC(O)=O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:30.33,19.25,wD:32.37,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-7.06,1.88,;-6.58,3.34,;-5.08,3.66,;-4.6,5.13,;-4.05,2.52,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
Cc1cc(OCC2(C)COC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cc2OC[C@@H](CC(O)=O)c2cn1 |r,wU:31.35,wD:21.28,(-2.19,-2.11,;-3.69,-1.79,;-4.72,-2.94,;-6.23,-2.62,;-7.26,-3.76,;-8.77,-3.44,;-9.24,-1.98,;-10.33,-3.06,;-8.54,-.6,;-9.92,.1,;-10.62,-1.28,;-6.71,-1.15,;-5.68,-.01,;-6.15,1.46,;-4.17,-.33,;-3.14,.82,;-3.62,2.28,;-2.59,3.43,;-1.08,3.11,;-.05,4.25,;-.6,1.64,;.8,1.01,;.64,-.52,;-.86,-.84,;-1.63,.5,;2.14,1.79,;3.47,1.01,;4.8,1.79,;6.14,1.01,;7.6,1.49,;8.51,.24,;7.6,-1,;8.08,-2.47,;9.59,-2.79,;10.62,-1.64,;10.06,-4.25,;6.14,-.53,;4.8,-1.3,;3.47,-.53,)|
Cc1cc(OCC2(C)COC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.36,21.28,wD:34.40,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-10,7.55,;-13.01,7.08,;-12.85,8.61,;-11.31,8.61,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(OCC2(C)COC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.36,21.28,wD:34.40,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-7.06,1.88,;-6.59,3.34,;-5.08,3.66,;-5.92,4.95,;-3.83,2.76,;-2.84,4.14,;-4.17,4.91,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3[C@@H](CC(O)=O)COc3c2)c1 |r|
Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Cc1cc(OCC2(O)CCOCC2)cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1cc(OCC2(O)CCOCC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:34.38,23.30,wD:36.42,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-9.96,7.4,;-10.99,8.54,;-12.02,9.69,;-13.53,9.37,;-14,7.9,;-12.97,6.76,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(OCC2(O)CCOCC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:34.38,23.30,wD:36.42,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-7.06,1.88,;-6.58,3.34,;-5.08,3.66,;-6.11,4.81,;-4.05,2.52,;-2.54,2.84,;-2.07,4.3,;-3.1,5.45,;-4.6,5.13,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:36.40,25.32,wD:38.44,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-12.5,8.22,;-10.99,8.54,;-12.02,9.69,;-13.53,9.37,;-15.03,9.69,;-13.37,10.9,;-14,7.9,;-12.97,6.76,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:36.40,25.32,wD:38.44,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-7.06,1.88,;-8.57,1.56,;-9.6,2.7,;-8.09,3.02,;-9.12,4.17,;-10.15,5.31,;-11.66,4.99,;-11.18,6.45,;-13.12,5.47,;-12.13,3.53,;-11.1,2.38,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Cc1cc(OCC2(O)CCSCC2)cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1cc(OCC2(O)CCSCC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:34.38,23.30,wD:36.42,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-7.06,1.88,;-6.58,3.34,;-5.08,3.66,;-6.11,4.81,;-4.05,2.52,;-2.54,2.84,;-2.07,4.3,;-3.1,5.45,;-4.6,5.13,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
Cc1cc(OCC2CC2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Cc1cc(OCC2CC2)cc(C)c1-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
Cc1cc(OCC2CCOC2)cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1cc(OCC2CCOC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cc2OC[C@@H](CC(O)=O)c2cn1 |r,wU:31.35,wD:21.28,(-2.14,-2.11,;-3.65,-1.79,;-4.68,-2.94,;-6.19,-2.62,;-7.22,-3.76,;-8.72,-3.44,;-9.2,-1.98,;-8.29,-.73,;-9.2,.52,;-10.66,.04,;-10.66,-1.5,;-6.66,-1.15,;-5.63,-.01,;-6.11,1.46,;-4.12,-.33,;-3.09,.82,;-3.57,2.28,;-2.54,3.43,;-1.03,3.11,;-0,4.25,;-.56,1.64,;.85,1.01,;.69,-.52,;-.82,-.84,;-1.59,.5,;2.18,1.79,;3.52,1.01,;4.85,1.79,;6.19,1.01,;7.65,1.49,;8.55,.24,;7.65,-1,;8.13,-2.47,;9.63,-2.79,;10.66,-1.64,;10.11,-4.25,;6.19,-.53,;4.85,-1.29,;3.52,-.53,)|
Cc1cc(OCC2CCOC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.36,21.28,wD:34.40,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-13,6.92,;-13.63,8.32,;-12.48,9.35,;-11.15,8.58,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(OCC2CCOC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.36,21.28,wD:34.40,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-7.06,1.88,;-6.58,3.34,;-5.08,3.66,;-4.45,5.07,;-2.92,4.91,;-2.6,3.4,;-3.93,2.63,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
Cc1cc(OCC2CCOC2)cc(C)c1-c1cccc(COc2ccc(cc2)C2(CC(O)=O)COC2)c1
Cc1cc(OCC2CCOCC2)cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1cc(OCC2CCOCC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:33.37,22.29,wD:35.41,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-10.99,8.54,;-12.02,9.69,;-13.53,9.37,;-14,7.9,;-12.97,6.76,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(OCC2CCOCC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:33.37,22.29,wD:35.41,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-7.06,1.88,;-8.57,1.56,;-9.6,2.7,;-9.12,4.17,;-10.15,5.31,;-11.66,4.99,;-12.13,3.53,;-11.1,2.38,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cc(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)ccc1C(F)(F)F |r,wU:26.27,wD:28.31,(-1.74,1.57,;-3.23,1.17,;-4.31,2.26,;-5.8,1.86,;-6.89,2.95,;-8.38,2.55,;-9.47,3.64,;-10.95,3.24,;-12.04,4.33,;-11.35,1.75,;-10.95,4.78,;-6.2,.37,;-5.11,-.72,;-6.45,-1.49,;-3.62,-.32,;-2.54,-1.41,;-1.05,-1.01,;.04,-2.1,;1.37,-1.33,;2.71,-2.1,;4.04,-1.33,;4.04,.21,;5.38,.98,;6.71,.21,;6.71,-1.33,;5.38,-2.1,;8.04,.98,;9.38,1.75,;9.38,.21,;10.71,.98,;12.04,.21,;10.71,2.52,;-.36,-3.58,;-1.85,-3.98,;-2.93,-2.89,;-4.42,-3.29,;-5.51,-2.2,;-4.82,-4.78,;-5.76,-4.06,)|
Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cc2OC[C@@H](CC(O)=O)c2cn1 |r,wU:31.34,wD:21.27,(-5.06,2.04,;-4.59,.57,;-5.62,-.57,;-5.14,-2.04,;-6.17,-3.18,;-7.68,-2.86,;-8.71,-4.01,;-10.22,-3.69,;-11.25,-4.83,;-10.69,-2.22,;-11.7,-3.29,;-3.64,-2.36,;-2.61,-1.21,;-1.1,-1.53,;-3.08,.25,;-2.05,1.4,;-2.53,2.86,;-1.5,4.01,;.01,3.69,;1.04,4.83,;.49,2.22,;1.89,1.59,;1.73,.06,;.22,-.26,;-.55,1.08,;3.23,2.36,;4.56,1.59,;5.89,2.36,;7.23,1.59,;8.69,2.07,;9.6,.82,;8.69,-.42,;9.17,-1.89,;10.67,-2.21,;11.7,-1.06,;11.15,-3.67,;7.23,.05,;5.89,-.72,;4.56,.05,)|
Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cc2OC[C@H](CC(O)=O)c2cn1 |r,wD:31.34,21.27,(-5.06,2.04,;-4.59,.57,;-5.62,-.57,;-5.14,-2.04,;-6.17,-3.18,;-7.68,-2.86,;-8.71,-4.01,;-10.22,-3.69,;-11.25,-4.83,;-10.69,-2.22,;-11.7,-3.29,;-3.64,-2.36,;-2.61,-1.21,;-1.1,-1.53,;-3.08,.25,;-2.05,1.4,;-2.53,2.86,;-1.5,4.01,;.01,3.69,;1.04,4.83,;.49,2.22,;1.89,1.59,;1.73,.06,;.22,-.26,;-.55,1.08,;3.23,2.36,;4.56,1.59,;5.89,2.36,;7.23,1.59,;8.69,2.07,;9.6,.82,;8.69,-.42,;9.17,-1.89,;10.67,-2.21,;11.7,-1.06,;11.15,-3.67,;7.23,.05,;5.89,-.72,;4.56,.05,)|
Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)C1C[C@@H]1C(O)=O |r,wU:21.27,wD:34.39,(-1.73,1.79,;-3.21,1.4,;-4.3,2.48,;-5.79,2.09,;-6.88,3.17,;-8.37,2.78,;-9.46,3.87,;-10.94,3.47,;-12.03,4.56,;-11.34,1.98,;-10.94,5.01,;-6.19,.6,;-5.1,-.49,;-5.5,-1.98,;-3.61,-.09,;-2.52,-1.18,;-3.15,-2.59,;-2.24,-3.83,;-.71,-3.67,;.06,-5.01,;-.09,-2.27,;1.38,-1.79,;1.38,-.25,;-.09,.23,;-.99,-1.02,;2.7,-2.56,;4.03,-1.79,;5.36,-2.56,;6.7,-1.79,;6.7,-.25,;5.36,.52,;4.03,-.25,;8.03,.52,;9.37,1.29,;9.37,-.25,;10.7,.52,;12.03,-.25,;10.7,2.06,)|
Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@@H]1C[C@H]1C(O)=O |r,wU:34.39,21.27,wD:32.35,(-1.73,1.79,;-3.21,1.4,;-4.3,2.48,;-5.79,2.09,;-6.88,3.17,;-8.37,2.78,;-9.46,3.87,;-10.94,3.47,;-12.03,4.56,;-11.34,1.98,;-10.94,5.01,;-6.19,.6,;-5.1,-.49,;-5.5,-1.98,;-3.61,-.09,;-2.52,-1.18,;-3.15,-2.59,;-2.24,-3.83,;-.71,-3.67,;.06,-5.01,;-.09,-2.27,;1.38,-1.79,;1.38,-.25,;-.09,.23,;-.99,-1.02,;2.7,-2.56,;4.03,-1.79,;5.36,-2.56,;6.7,-1.79,;6.7,-.25,;5.36,.52,;4.03,-.25,;8.03,.52,;9.37,1.29,;9.37,-.25,;10.7,.52,;12.03,-.25,;10.7,2.06,)|
Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.35,21.27,wD:34.39,(-1.73,1.79,;-3.21,1.4,;-4.3,2.48,;-5.79,2.09,;-6.88,3.17,;-8.37,2.78,;-9.46,3.87,;-10.94,3.47,;-12.03,4.56,;-11.34,1.98,;-10.94,5.01,;-6.19,.6,;-5.1,-.49,;-5.5,-1.98,;-3.61,-.09,;-2.52,-1.18,;-3.15,-2.59,;-2.24,-3.83,;-.71,-3.67,;.06,-5.01,;-.09,-2.27,;1.38,-1.79,;1.38,-.25,;-.09,.23,;-.99,-1.02,;2.7,-2.56,;4.03,-1.79,;5.36,-2.56,;6.7,-1.79,;6.7,-.25,;5.36,.52,;4.03,-.25,;8.03,.52,;9.37,1.29,;9.37,-.25,;10.7,.52,;12.03,-.25,;10.7,2.06,)|
Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)C1C[C@@H]1C(O)=O |r,wU:21.27,wD:34.39,(-1.75,1.34,;-3.26,1.01,;-4.29,2.16,;-5.79,1.84,;-6.82,2.98,;-8.33,2.66,;-9.36,3.81,;-10.87,3.49,;-11.9,4.63,;-11.34,2.02,;-10.87,5.03,;-6.27,.37,;-5.24,-.77,;-5.71,-2.23,;-3.73,-.45,;-2.7,-1.59,;-3.18,-3.06,;-2.15,-4.2,;-.64,-3.88,;.39,-5.03,;-.16,-2.42,;1.24,-1.79,;1.08,-.26,;-.42,.06,;-1.2,-1.27,;2.56,-2.56,;3.89,-1.79,;3.89,-.25,;5.23,.52,;6.56,-.25,;6.56,-1.79,;5.23,-2.56,;7.9,.52,;9.23,1.29,;9.23,-.25,;10.56,.52,;11.9,-.25,;10.56,2.06,)|
Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@@H]1C[C@H]1C(O)=O |r,wU:34.39,21.27,wD:32.35,(-1.75,1.34,;-3.26,1.01,;-4.29,2.16,;-5.79,1.84,;-6.82,2.98,;-8.33,2.66,;-9.36,3.81,;-10.87,3.49,;-11.9,4.63,;-11.34,2.02,;-10.87,5.03,;-6.27,.37,;-5.24,-.77,;-5.71,-2.23,;-3.73,-.45,;-2.7,-1.59,;-3.18,-3.06,;-2.15,-4.2,;-.64,-3.88,;.39,-5.03,;-.16,-2.42,;1.24,-1.79,;1.08,-.26,;-.42,.06,;-1.2,-1.27,;2.56,-2.56,;3.89,-1.79,;3.89,-.25,;5.23,.52,;6.56,-.25,;6.56,-1.79,;5.23,-2.56,;7.9,.52,;9.23,1.29,;9.23,-.25,;10.56,.52,;11.9,-.25,;10.56,2.06,)|
Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.35,21.27,wD:34.39,(-1.75,1.34,;-3.26,1.01,;-4.29,2.16,;-5.79,1.84,;-6.82,2.98,;-8.33,2.66,;-9.36,3.81,;-10.87,3.49,;-11.9,4.63,;-11.34,2.02,;-10.87,5.03,;-6.27,.37,;-5.24,-.77,;-5.71,-2.23,;-3.73,-.45,;-2.7,-1.59,;-3.18,-3.06,;-2.15,-4.2,;-.64,-3.88,;.39,-5.03,;-.16,-2.42,;1.24,-1.79,;1.08,-.26,;-.42,.06,;-1.2,-1.27,;2.56,-2.56,;3.89,-1.79,;3.89,-.25,;5.23,.52,;6.56,-.25,;6.56,-1.79,;5.23,-2.56,;7.9,.52,;9.23,1.29,;9.23,-.25,;10.56,.52,;11.9,-.25,;10.56,2.06,)|
Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@H](CCc12)Oc1ccc2[C@@H](CC(O)=O)COc2c1 |r,wU:30.33,wD:21.27,(-.93,-.06,;-2.27,-.83,;-3.59,-.06,;-4.93,-.83,;-6.26,-.06,;-7.6,-.83,;-8.93,-.06,;-10.26,-.83,;-11.6,-.06,;-10.26,-2.37,;-11.6,-1.6,;-4.93,-2.37,;-3.59,-3.14,;-3.59,-4.68,;-2.27,-2.37,;-.93,-3.14,;-.93,-4.68,;.4,-5.45,;1.73,-4.68,;3.06,-5.45,;1.73,-3.14,;2.86,-2.1,;2.24,-.69,;.75,-.84,;.4,-2.37,;4.34,-2.5,;5.43,-1.41,;5.03,.07,;6.12,1.16,;7.61,.76,;8.93,1.6,;8.93,3.14,;10.26,3.91,;11.6,3.14,;10.26,5.45,;10.09,.65,;9.53,-.78,;8.01,-.72,;6.93,-1.81,)|
Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2[C@@H](CCc12)Nc1cc2OC[C@@H](CC(O)=O)c2cn1 |r,wU:30.33,wD:20.26,(-5.06,2.45,;-4.59,.98,;-5.62,-.16,;-5.14,-1.62,;-6.17,-2.77,;-7.68,-2.45,;-8.71,-3.59,;-10.22,-3.27,;-11.25,-4.42,;-10.69,-1.81,;-11.7,-2.87,;-3.64,-1.94,;-2.61,-.8,;-1.1,-1.12,;-3.08,.66,;-2.05,1.81,;-2.53,3.27,;-1.5,4.42,;.01,4.1,;.49,2.63,;1.89,2.01,;1.73,.48,;.22,.15,;-.55,1.49,;3.23,2.78,;4.56,2.01,;5.89,2.78,;7.23,2.01,;8.69,2.48,;9.6,1.24,;8.69,-.01,;9.17,-1.47,;10.67,-1.79,;11.7,-.65,;11.15,-3.26,;7.23,.47,;5.89,-.3,;4.56,.47,)|
Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2[C@@H](CCc12)Nc1cc2OC[C@H](CC(O)=O)c2cn1 |r,wD:30.33,20.26,(-5.06,2.45,;-4.59,.98,;-5.62,-.16,;-5.14,-1.62,;-6.17,-2.77,;-7.68,-2.45,;-8.71,-3.59,;-10.22,-3.27,;-11.25,-4.42,;-10.69,-1.81,;-11.7,-2.87,;-3.64,-1.94,;-2.61,-.8,;-1.1,-1.12,;-3.08,.66,;-2.05,1.81,;-2.53,3.27,;-1.5,4.42,;.01,4.1,;.49,2.63,;1.89,2.01,;1.73,.48,;.22,.15,;-.55,1.49,;3.23,2.78,;4.56,2.01,;5.89,2.78,;7.23,2.01,;8.69,2.48,;9.6,1.24,;8.69,-.01,;9.17,-1.47,;10.67,-1.79,;11.7,-.65,;11.15,-3.26,;7.23,.47,;5.89,-.3,;4.56,.47,)|
Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:31.34,20.26,wD:33.38,(-1.73,1.21,;-3.21,.81,;-4.3,1.9,;-5.79,1.5,;-6.88,2.59,;-8.37,2.19,;-9.46,3.28,;-10.94,2.88,;-12.03,3.97,;-11.34,1.39,;-10.94,4.42,;-6.19,.01,;-5.1,-1.08,;-5.5,-2.56,;-3.61,-.68,;-2.52,-1.77,;-3.15,-3.17,;-2.24,-4.42,;-.71,-4.26,;-.09,-2.85,;1.38,-2.38,;1.38,-.84,;-.09,-.36,;-.99,-1.61,;2.7,-3.15,;4.03,-2.38,;5.36,-3.15,;6.7,-2.38,;6.7,-.84,;5.36,-.07,;4.03,-.84,;8.03,-.07,;9.37,.7,;9.37,-.84,;10.7,-.07,;12.03,-.84,;10.7,1.47,)|
Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:31.34,20.26,wD:33.38,(-1.75,.92,;-3.26,.6,;-4.29,1.75,;-5.79,1.43,;-6.82,2.57,;-8.33,2.25,;-9.36,3.4,;-10.87,3.08,;-11.9,4.22,;-11.34,1.61,;-10.87,4.62,;-6.27,-.04,;-5.24,-1.18,;-5.71,-2.65,;-3.73,-.86,;-2.7,-2.01,;-3.18,-3.47,;-2.15,-4.62,;-.64,-4.3,;-.16,-2.83,;1.24,-2.2,;1.08,-.67,;-.42,-.35,;-1.2,-1.69,;2.56,-2.97,;3.89,-2.2,;3.89,-.66,;5.23,.11,;6.56,-.66,;6.56,-2.2,;5.23,-2.97,;7.9,.11,;9.23,.88,;9.23,-.66,;10.56,.11,;11.9,-.66,;10.56,1.65,)|
Cc1cc(OCCCC(O)=O)ccc1-c1cc(OC(F)(F)F)ccc1Cl
Cc1cc(OCCCCO[N+]([O-])=O)cc(C)c1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Cc1cc(OCCCO)cc(C)c1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Cc1cc(OCCCO[N+]([O-])=O)cc(C)c1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Cc1cc(OCCCOc2ccc(cc2)-c2ccccc2)ccc1OCC(O)=O
Cc1cc(OCCCOc2cccc(Cl)c2)ccc1OCC(O)=O
Cc1cc(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc(c1)[C@@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc(c1)[C@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1ccc(F)c(c1)[C@@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1ccc(F)c(c1)[C@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:33.36,22.28,wD:35.40,(-.98,1.28,;-2.47,.88,;-3.56,1.97,;-5.05,1.57,;-6.14,2.66,;-7.62,2.26,;-8.71,3.35,;-10.2,2.95,;-11.29,4.04,;-12.78,3.64,;-11.29,2.5,;-10.89,5.52,;-5.45,.08,;-4.36,-1.01,;-4.75,-2.5,;-2.87,-.61,;-1.78,-1.7,;-2.41,-3.11,;-1.5,-4.35,;.03,-4.19,;.8,-5.52,;.66,-2.78,;2.12,-2.31,;2.12,-.77,;.66,-.29,;-.25,-1.54,;3.44,-3.08,;4.77,-2.31,;6.11,-3.08,;7.44,-2.31,;7.44,-.77,;6.11,0,;4.77,-.77,;8.78,0,;10.11,.77,;10.11,-.77,;11.44,0,;12.78,-.77,;11.44,1.54,)|
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@@H]1C[C@H]1C(O)=O |r,wU:35.40,22.28,wD:33.36,(-1.01,.79,;-2.51,.47,;-3.54,1.61,;-5.05,1.29,;-6.08,2.44,;-7.59,2.12,;-8.62,3.26,;-10.12,2.94,;-11.15,4.09,;-12.64,3.69,;-11.15,2.55,;-10.75,5.57,;-5.52,-.17,;-4.49,-1.32,;-4.97,-2.78,;-2.99,-1,;-1.96,-2.14,;-2.43,-3.6,;-1.4,-4.75,;.1,-4.43,;1.13,-5.57,;.58,-2.96,;1.99,-2.34,;1.83,-.81,;.32,-.49,;-.45,-1.82,;3.3,-3.11,;4.64,-2.34,;4.64,-.8,;5.97,-.03,;7.31,-.8,;7.31,-2.34,;5.97,-3.11,;8.64,-.03,;9.97,.74,;9.97,-.8,;11.31,-.03,;12.64,-.8,;11.31,1.51,)|
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:33.36,22.28,wD:35.40,(-1.01,.79,;-2.51,.47,;-3.54,1.61,;-5.05,1.29,;-6.08,2.44,;-7.59,2.12,;-8.62,3.26,;-10.12,2.94,;-11.15,4.09,;-12.64,3.69,;-11.15,2.55,;-10.75,5.57,;-5.52,-.17,;-4.49,-1.32,;-4.97,-2.78,;-2.99,-1,;-1.96,-2.14,;-2.43,-3.6,;-1.4,-4.75,;.1,-4.43,;1.13,-5.57,;.58,-2.96,;1.99,-2.34,;1.83,-.81,;.32,-.49,;-.45,-1.82,;3.3,-3.11,;4.64,-2.34,;4.64,-.8,;5.97,-.03,;7.31,-.8,;7.31,-2.34,;5.97,-3.11,;8.64,-.03,;9.97,.74,;9.97,-.8,;11.31,-.03,;12.64,-.8,;11.31,1.51,)|
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CCc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CNc2ccc(CCC(O)=O)cc2)c1
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CNc2ccc(nc2)[C@H]2CC2C(O)=O)c1 |r|
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OCC(O)=O)c(Cl)c2)c1
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OCC(O)=O)cc2)c1
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3OC[C@@H](CC(O)=O)c3c2)c1 |r|
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@@H](CC(O)=O)COc3c2)c1 |r|
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@@H](COc3c2)C(O)=O)c1 |r|
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(c1)[C@@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(c1)[C@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(CNc2ccc(CCC(O)=O)cc2)c1
Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(c1)C1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
Cc1cc(OCCO)ccc1-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
Cc1cc(OCCO)ccc1-c1cccc(COc2ccc(Cn3oc(=O)[nH]c3=O)cc2)c1
Cc1cc(OCCOCCNc2ccc([N+]([O-])=O)c3nonc23)ccc1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Cc1cc(OCCO[N+]([O-])=O)cc(C)c1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Cc1cc(OC[C@H]2COC(C)(C)O2)cc(C)c1-c1cccc(COc2ccc(cc2)-c2cc(O)no2)c1C |r,wU:6.5,(33.28,-31.78,;31.94,-32.55,;30.61,-31.78,;29.27,-32.55,;27.94,-31.78,;26.61,-32.55,;25.27,-31.79,;23.86,-32.41,;22.83,-31.27,;23.59,-29.93,;22.49,-28.83,;23.99,-28.43,;25.1,-30.25,;29.28,-34.1,;30.61,-34.86,;30.62,-36.4,;31.94,-34.09,;33.27,-34.86,;33.27,-36.4,;34.6,-37.17,;35.94,-36.4,;35.93,-34.85,;37.27,-34.08,;38.6,-34.84,;39.93,-34.07,;41.27,-34.84,;42.6,-34.07,;42.59,-32.52,;41.24,-31.76,;39.92,-32.54,;43.92,-31.74,;45.33,-32.36,;46.36,-31.21,;47.89,-31.36,;45.58,-29.88,;44.08,-30.21,;34.6,-34.09,;34.59,-32.55,)|
Cc1cc(OCc2ccc(Cl)cc2Cl)ccc1N1CCC[C@H]1CC(O)=O |r|
Cc1cc(OCc2cccc(c2)-c2c(C)cc(OCCCS(C)(=O)=O)cc2C)ccc1OCC(O)=O
Cc1cc(OCc2cccc(c2)-c2c(C)cccc2C)ccc1CCC(O)=O
Cc1cc(OCc2cccc3nccn23)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Cc1cc(OCc2ccccc2)cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Cc1cc(OCc2ccccc2)ccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Cc1cc(OCc2ccccc2SC(F)(F)F)ccc1CCC(O)=O
Cc1cc(OCc2csc(n2)-c2ccccc2)ccc1OCC(O)=O
Cc1cc(OCc2ncc(o2)-c2ccccc2)ccc1OCC(O)=O
Cc1cc(OCc2nnc(s2)-c2ccccc2)ccc1OCC(O)=O
Cc1cc(O[C@@H]2CCOC2)cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1cc(O[C@@H]2CCOC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cc2OC[C@@H](CC(O)=O)c2cn1 |r,wU:30.34,wD:20.27,5.4,(-5.84,1.57,;-5.36,.1,;-6.39,-1.04,;-5.92,-2.51,;-6.95,-3.65,;-8.45,-3.33,;-9.6,-4.36,;-10.93,-3.59,;-10.61,-2.08,;-9.08,-1.92,;-4.41,-2.83,;-3.38,-1.68,;-1.87,-2,;-3.86,-.22,;-2.82,.93,;-3.3,2.39,;-2.27,3.54,;-.76,3.22,;.27,4.36,;-.29,1.75,;1.12,1.13,;.96,-.41,;-.55,-.73,;-1.32,.61,;2.45,1.9,;3.79,1.13,;5.12,1.9,;6.45,1.13,;7.92,1.6,;8.82,.36,;7.92,-.89,;8.39,-2.36,;9.9,-2.68,;10.93,-1.53,;10.38,-4.14,;6.45,-.41,;5.12,-1.18,;3.79,-.41,)|
Cc1cc(O[C@@H]2CCOC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:31.35,20.27,wD:33.39,5.4,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.34,7.18,;-10.44,8.43,;-8.97,7.95,;-8.97,6.41,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(O[C@@H]2CCOC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:31.35,20.27,5.4,wD:33.39,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-7.06,1.88,;-6.59,3.34,;-5.12,3.82,;-5.12,5.36,;-6.59,5.83,;-7.49,4.59,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
Cc1cc(O[C@@H]2COC[C@H]2O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.36,21.28,5.4,wD:34.40,9.10,(-2.31,2.46,;-3.8,2.06,;-4.89,3.15,;-6.38,2.75,;-7.47,3.84,;-8.95,3.44,;-10.2,4.34,;-11.45,3.44,;-10.97,1.97,;-9.43,1.97,;-8.66,.64,;-6.78,1.26,;-5.69,.17,;-6.09,-1.32,;-4.2,.57,;-3.11,-.52,;-3.74,-1.93,;-2.83,-3.17,;-1.3,-3.01,;-.53,-4.34,;-.67,-1.6,;.79,-1.13,;.79,.41,;-.67,.89,;-1.58,-.36,;2.11,-1.9,;3.44,-1.13,;4.78,-1.9,;6.11,-1.13,;6.11,.41,;4.78,1.18,;3.44,.41,;7.44,1.18,;8.78,1.95,;8.78,.41,;10.11,1.18,;11.45,.41,;10.11,2.72,)|
Cc1cc(O[C@H]2CCOC2)cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1cc(O[C@H]2CCOC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cc2OC[C@@H](CC(O)=O)c2cn1 |r,wU:30.34,5.4,wD:20.27,(-1.87,-2,;-3.38,-1.68,;-4.41,-2.83,;-5.92,-2.51,;-6.95,-3.65,;-8.45,-3.33,;-9.6,-4.36,;-10.93,-3.59,;-10.61,-2.08,;-9.08,-1.92,;-6.39,-1.04,;-5.36,.1,;-5.84,1.57,;-3.86,-.22,;-2.82,.93,;-3.3,2.39,;-2.27,3.54,;-.76,3.22,;.27,4.36,;-.29,1.75,;1.12,1.13,;.96,-.41,;-.55,-.73,;-1.32,.61,;2.45,1.9,;3.79,1.13,;5.12,1.9,;6.45,1.13,;7.92,1.6,;8.82,.36,;7.92,-.89,;8.39,-2.36,;9.9,-2.68,;10.93,-1.53,;10.38,-4.14,;6.45,-.41,;5.12,-1.18,;3.79,-.41,)|
Cc1cc(O[C@H]2CCOC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:31.35,20.27,5.4,wD:33.39,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.34,7.18,;-10.44,8.43,;-8.97,7.95,;-8.97,6.41,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)cc(C)c1C#N
Cc1cc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc(c1)C(F)(F)F
Cc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1Cc1sc(=O)[nH]c1O
Cc1cc(Oc2ncc(cc2Cl)C(F)(F)F)cc(C)c1Cc1sc(=O)[nH]c1O
Cc1cc(Oc2ncc(cc2Cl)C(F)(F)F)ccc1Cc1sc(=O)[nH]c1O
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Cc1cc(cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1)-c1ccn(C)c(=O)c1 |r|
Cc1cc(cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1)-c1ccn(C)c(=O)n1 |r|
Cc1cc(cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1)-c1ccnn1C |r|
Cc1cc(cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1)-c1nnn(C)n1 |r|
Cc1cc(cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1)-c1nnn(CC(C)(C)O)n1 |r|
Cc1cc(cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1)C#N |r|
Cc1cc(cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1)C(N)=O |r|
Cc1cc(cc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1)C(O)=O |r|
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Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cc2OC[C@@H](CC(O)=O)c2cn1)-c1cnccn1 |r,wU:24.27,wD:14.20,(-2.6,-1.05,;-4.1,-.73,;-5.13,-1.88,;-6.64,-1.56,;-7.12,-.09,;-6.09,1.05,;-6.56,2.52,;-4.58,.73,;-3.55,1.88,;-4.02,3.34,;-2.99,4.49,;-1.49,4.17,;-.46,5.31,;-1.01,2.7,;.4,2.07,;.23,.54,;-1.27,.22,;-2.04,1.56,;1.73,2.84,;3.06,2.07,;4.4,2.84,;5.73,2.07,;7.19,2.55,;8.1,1.3,;7.19,.06,;7.67,-1.41,;9.18,-1.73,;10.21,-.58,;9.65,-3.19,;5.73,.53,;4.4,-.24,;3.06,.53,;-7.67,-2.7,;-9.18,-2.38,;-10.21,-3.53,;-9.73,-4.99,;-8.23,-5.31,;-7.19,-4.17,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cc2OC[C@@H](CC(O)=O)c2cn1)-c1nnn(C)n1 |r,wU:24.27,wD:14.20,(-6,2.35,;-5.52,.89,;-6.55,-.26,;-6.08,-1.72,;-4.57,-2.04,;-3.54,-.9,;-2.03,-1.22,;-4.02,.57,;-2.98,1.71,;-3.46,3.18,;-2.43,4.32,;-.92,4,;.11,5.14,;-.45,2.53,;.96,1.91,;.8,.38,;-.71,.06,;-1.48,1.39,;2.29,2.68,;3.63,1.91,;4.96,2.68,;6.29,1.91,;7.76,2.38,;8.66,1.14,;7.76,-.11,;8.23,-1.57,;9.74,-1.89,;10.77,-.75,;10.22,-3.36,;6.29,.37,;4.96,-.4,;3.63,.37,;-7.11,-2.87,;-6.79,-4.37,;-8.12,-5.14,;-9.26,-4.11,;-10.77,-4.43,;-8.64,-2.71,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cc2OC[C@@H](CC(O)=O)c2cn1)-c1nnn(CC(C)(C)O)n1 |r,wU:24.27,wD:14.20,(-.76,-1.22,;-2.27,-.9,;-3.3,-2.04,;-4.81,-1.72,;-5.28,-.26,;-4.25,.89,;-4.73,2.35,;-2.75,.57,;-1.72,1.71,;-2.19,3.18,;-1.16,4.32,;.34,4,;1.37,5.14,;.82,2.53,;2.23,1.91,;2.07,.38,;.56,.06,;-.21,1.39,;3.56,2.68,;4.89,1.91,;6.23,2.68,;7.56,1.91,;9.03,2.38,;9.93,1.14,;9.03,-.11,;9.5,-1.57,;11.01,-1.89,;12.04,-.75,;11.49,-3.36,;7.56,.37,;6.23,-.4,;4.89,.37,;-5.84,-2.87,;-5.52,-4.37,;-6.85,-5.14,;-8,-4.11,;-9.5,-4.43,;-10.53,-3.29,;-12.04,-3.61,;-10.53,-4.83,;-10.06,-1.82,;-7.37,-2.71,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cc2OC[C@H](CC(O)=O)c2cn1)-c1nnn(C)n1 |r,wD:24.27,14.20,(-6,2.35,;-5.52,.89,;-6.55,-.26,;-6.08,-1.72,;-4.57,-2.04,;-3.54,-.9,;-2.03,-1.22,;-4.02,.57,;-2.98,1.71,;-3.46,3.18,;-2.43,4.32,;-.92,4,;.11,5.14,;-.45,2.53,;.96,1.91,;.8,.38,;-.71,.06,;-1.48,1.39,;2.29,2.68,;3.63,1.91,;4.96,2.68,;6.29,1.91,;7.76,2.38,;8.66,1.14,;7.76,-.11,;8.23,-1.57,;9.74,-1.89,;10.77,-.75,;10.22,-3.36,;6.29,.37,;4.96,-.4,;3.63,.37,;-7.11,-2.87,;-6.79,-4.37,;-8.12,-5.14,;-9.26,-4.11,;-10.77,-4.43,;-8.64,-2.71,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)-c1cccc(=O)n1C |r,wU:25.28,14.20,wD:27.32,(8.42,-24.58,;8.89,-23.11,;7.85,-21.98,;8.33,-20.5,;9.85,-20.19,;10.87,-21.33,;12.38,-21.02,;10.39,-22.79,;11.42,-23.94,;10.94,-25.41,;11.97,-26.56,;13.47,-26.23,;14.51,-27.37,;13.94,-24.78,;15.36,-24.14,;15.2,-22.61,;13.69,-22.29,;12.92,-23.63,;16.69,-24.92,;18.03,-24.14,;19.37,-24.92,;20.71,-24.14,;20.71,-22.59,;19.37,-21.83,;18.03,-22.6,;22.04,-21.82,;23.58,-21.82,;22.81,-23.15,;24.14,-23.92,;25.48,-23.14,;24.14,-25.46,;7.32,-19.36,;7.8,-17.9,;6.78,-16.76,;5.28,-17.07,;4.79,-18.53,;3.29,-18.84,;5.82,-19.68,;5.34,-21.14,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)-c1ccn(C)c(=O)c1 |r,wU:25.28,14.20,wD:27.32,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,;-10.91,4.47,;-12.42,4.15,;-13.45,5.29,;-12.97,6.76,;-14,7.9,;-11.47,7.08,;-10.99,8.54,;-10.44,5.93,)|
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Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)-c1nnn(C)n1 |r,wU:25.28,14.20,wD:27.32,(-3.29,.75,;-4.78,.36,;-5.87,1.44,;-7.36,1.05,;-7.76,-.44,;-6.67,-1.53,;-7.07,-3.02,;-5.18,-1.13,;-4.09,-2.22,;-4.72,-3.63,;-3.81,-4.87,;-2.28,-4.71,;-1.51,-6.05,;-1.65,-3.31,;-.19,-2.83,;-.19,-1.29,;-1.65,-.81,;-2.56,-2.06,;1.13,-3.6,;2.46,-2.83,;3.8,-3.6,;5.13,-2.83,;5.13,-1.29,;3.8,-.52,;2.46,-1.29,;6.46,-.52,;7.8,.25,;7.8,-1.29,;9.13,-.52,;10.46,-1.29,;9.13,1.02,;-8.45,2.14,;-9.99,2.14,;-10.46,3.6,;-9.22,4.51,;-9.22,6.05,;-7.97,3.6,)|
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Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)C(N)=O |r,wU:25.28,14.20,wD:27.32,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,;-10.91,4.47,;-12.42,4.15,;-10.44,5.93,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)C(O)=O |r,wU:25.28,14.20,wD:27.32,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,;-10.91,4.47,;-12.42,4.15,;-10.44,5.93,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)-c1cc(=O)n(C)cn1 |r,wU:25.28,14.20,wD:27.32,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,;-7.06,1.88,;-6.59,3.34,;-7.62,4.49,;-7.14,5.95,;-9.12,4.17,;-10.15,5.31,;-9.6,2.7,;-8.57,1.56,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)-c1ccc(=O)n(C)c1 |r,wU:25.28,14.20,wD:27.32,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,;-7.06,1.88,;-8.57,1.56,;-9.6,2.7,;-9.12,4.17,;-10.15,5.31,;-7.62,4.49,;-7.14,5.95,;-6.59,3.34,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)-c1ccnn1C |r,wU:25.28,14.20,wD:27.32,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,;-7.06,1.88,;-8.59,1.72,;-9.22,3.12,;-8.07,4.15,;-6.74,3.38,;-5.33,4.01,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)-c1cnccn1 |r,wU:25.28,14.20,wD:27.32,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,;-7.06,1.88,;-6.59,3.34,;-7.62,4.49,;-9.12,4.17,;-9.6,2.7,;-8.57,1.56,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)-c1nnn(C)n1 |r,wU:25.28,14.20,wD:27.32,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,;-7.06,1.88,;-8.59,1.72,;-9.22,3.12,;-8.07,4.15,;-8.24,5.68,;-6.74,3.38,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)-c1nnnn1CC(C)(C)O |r,wU:25.28,14.20,wD:27.32,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,;-7.06,1.88,;-8.59,1.72,;-9.22,3.12,;-8.07,4.15,;-6.74,3.38,;-5.33,4.01,;-5.17,5.54,;-6.42,6.45,;-3.77,6.17,;-3.93,4.64,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)C#N |r,wU:25.28,14.20,wD:27.32,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,;-7.06,1.88,;-8.21,2.91,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)C(N)=O |r,wU:25.28,14.20,wD:27.32,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,;-7.06,1.88,;-6.59,3.34,;-8.57,1.56,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)C(O)=O |r,wU:25.28,14.20,wD:27.32,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,;-7.06,1.88,;-6.59,3.34,;-8.57,1.56,)|
Cc1cc(cc(C)c1-c1cccc2[C@@H](CCc12)Nc1cc2OC[C@@H](CC(O)=O)c2cn1)-c1nnn(C)n1 |r,wU:23.26,wD:13.19,(-6,2.76,;-5.52,1.3,;-6.55,.15,;-6.08,-1.31,;-4.57,-1.63,;-3.54,-.49,;-2.03,-.81,;-4.02,.98,;-2.98,2.12,;-3.46,3.59,;-2.43,4.73,;-.92,4.41,;-.45,2.95,;.96,2.32,;.8,.79,;-.71,.47,;-1.48,1.8,;2.29,3.09,;3.63,2.32,;4.96,3.09,;6.29,2.32,;7.76,2.8,;8.66,1.55,;7.76,.3,;8.23,-1.16,;9.74,-1.48,;10.77,-.34,;10.22,-2.94,;6.29,.78,;4.96,.01,;3.63,.78,;-7.11,-2.46,;-6.79,-3.96,;-8.12,-4.73,;-9.26,-3.7,;-10.77,-4.02,;-8.64,-2.29,)|
Cc1cc(cc(C)c1-c1cccc2[C@@H](CCc12)Nc1cc2OC[C@H](CC(O)=O)c2cn1)-c1nnn(C)n1 |r,wD:23.26,13.19,(-6,2.76,;-5.52,1.3,;-6.55,.15,;-6.08,-1.31,;-4.57,-1.63,;-3.54,-.49,;-2.03,-.81,;-4.02,.98,;-2.98,2.12,;-3.46,3.59,;-2.43,4.73,;-.92,4.41,;-.45,2.95,;.96,2.32,;.8,.79,;-.71,.47,;-1.48,1.8,;2.29,3.09,;3.63,2.32,;4.96,3.09,;6.29,2.32,;7.76,2.8,;8.66,1.55,;7.76,.3,;8.23,-1.16,;9.74,-1.48,;10.77,-.34,;10.22,-2.94,;6.29,.78,;4.96,.01,;3.63,.78,;-7.11,-2.46,;-6.79,-3.96,;-8.12,-4.73,;-9.26,-3.7,;-10.77,-4.02,;-8.64,-2.29,)|
Cc1cc(cc(C)c1-c1cccc2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)-c1nnn(C)n1 |r,wU:24.27,13.19,wD:26.31,(-3.21,.04,;-4.71,-.28,;-5.74,.87,;-7.25,.55,;-7.73,-.92,;-6.7,-2.06,;-7.17,-3.53,;-5.19,-1.74,;-4.16,-2.89,;-4.64,-4.35,;-3.6,-5.5,;-2.1,-5.18,;-1.62,-3.71,;-.22,-3.09,;-.38,-1.55,;-1.88,-1.23,;-2.65,-2.57,;1.1,-3.86,;2.44,-3.09,;2.44,-1.55,;3.77,-.78,;5.1,-1.55,;5.1,-3.09,;3.77,-3.86,;6.44,-.78,;7.77,-.01,;7.77,-1.55,;9.11,-.78,;10.44,-1.55,;9.11,.76,;-8.28,1.69,;-9.81,1.53,;-10.44,2.94,;-9.29,3.97,;-9.46,5.5,;-7.96,3.2,)|
Cc1cc(cc(C)c1OCCCC(O)=O)-c1cc(OC(F)(F)F)ccc1Cl
Cc1cc(cc(C)c1OCCCC(O)=O)-c1cc(OC(F)(F)F)ccc1F
Cc1cc(cc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)n1)C(F)(F)F
Cc1cc(cc2n(ncc12)-c1ccccn1)-c1ccc(CCC(O)=O)cc1
Cc1cc(ccc1-c1csc2ccc(COc3ccc(cc3)C3(CC(O)=O)CC(=O)C3)cc12)C1=CCS(=O)(=O)CC1 |t:38|
Cc1cc(ccc1-c1csc2ccc(COc3ccc(cc3)C3(CC(O)=O)CC(=O)C3)cc12)C1CCS(=O)(=O)CC1
Cc1cc(ccc1-c1csc2ccc(COc3ccc(cc3)C3(CC(O)=O)CC(=O)C3)cc12)N1CC2(CCS2(=O)=O)C1
Cc1cc(ccc1F)-c1noc(COc2ccc(CCC(O)=O)cc2)n1
Cc1cc(ccc1OCCCC(O)=O)-c1cc(OC(F)(F)F)ccc1Cl
Cc1cc(ccc1OCCCC(O)=O)-c1cc(OC(F)(F)F)ccc1F
Cc1cc(ccn1)C#Cc1ccc(CCC(O)=O)cc1
Cc1cc(nc(Cl)n1)C#Cc1ccc(CCC(O)=O)cc1
Cc1ccc(-c2cc3cc(CCC(O)=O)ccc3[nH]2)c(C)c1
Cc1ccc(Br)c(COc2ccc(CCC(O)=O)cc2C)c1
Cc1ccc(C)c(OCc2nnc(s2)C(=O)Nc2ccc(CCC(O)=O)cc2)c1
Cc1ccc(C)c(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1
Cc1ccc(C)c(c1)-c1cc2cc(CCC(O)=O)ccc2[nH]1
Cc1ccc(C)c(c1)-c1cc2cc(CCC(O)=O)ccc2n1C
Cc1ccc(C)c(c1)-c1cccc(c1)C1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
Cc1ccc(C)n1-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
Cc1ccc(C)n1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Cc1ccc(CNc2ccc(CCC(O)=O)cc2)cc1
Cc1ccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)cc1-c1ccc(Cl)cc1C |r|
Cc1ccc(Cl)c(COc2ccc(CCC(O)=O)cc2C)c1
Cc1ccc(Cl)c(c1Cl)-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1ccc(Cl)c(c1Cl)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:26.29,15.21,wD:28.33,(-8.01,-1.05,;-6.51,-.73,;-6.03,.73,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-5.48,-1.88,;-5.95,-3.34,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
Cc1ccc(Cl)cc1-c1cc2cc(CCC(O)=O)ccc2[nH]1
Cc1ccc(F)cc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r|
Cc1ccc(F)cc1OCc1ccc(CCC(O)=O)cc1
Cc1ccc(NC(=O)c2nnc(COc3ccc(CCC(O)=O)cc3)s2)cc1
Cc1ccc(NC(=O)c2nnc(s2)C(=O)Nc2ccc(OCC(O)=O)cc2)cc1
Cc1ccc(NC(=O)c2nnc(s2)C(=O)Nc2ccc(OCC(O)=O)cc2)cc1C
Cc1ccc(OCC(=O)Nc2ccc(OCC(O)=O)c(F)c2)cc1
Cc1ccc(OCC2CC2)cc1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Cc1ccc(OCC2CCC2)cc1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Cc1ccc(OCC2CCCC2)cc1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Cc1ccc(OCC2CCCCC2)cc1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Cc1ccc(OCCC2CCCCC2)cc1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Cc1ccc(OCCCOc2ccc3C(CC(O)=O)COc3c2)cc1
Cc1ccc(OCCc2ccccc2)cc1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Cc1ccc(OCc2ccccc2)cc1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Cc1ccc(OCc2nnc(s2)C(=O)Nc2ccc(CCC(O)=O)cc2)c(C)c1
Cc1ccc(OCc2nnc(s2)C(=O)Nc2ccc(CCC(O)=O)cc2)cc1
Cc1ccc(OCc2nnc(s2)C(=O)Nc2ccc(CCC(O)=O)cc2)cc1C
Cc1ccc(Oc2cc(F)cc(c2)N2Cc3ccccc3S2(=O)=O)cc1
Cc1ccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c(C)c1
Cc1ccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)cc1
Cc1ccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)cc1C
Cc1ccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1
Cc1ccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)cc1 |r|
Cc1ccc(Oc2cccc(COc3ccc(CCC(O)=O)cc3)c2)cc1
Cc1ccc(Oc2cccc(c2)-c2ccc(OCCCC(O)=O)cc2)cc1
Cc1ccc(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Cc1ccc(c(C)c1)-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Cc1ccc(c(C)c1)-c1cccc(c1)C1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
Cc1ccc(c(Cl)c1)-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
Cc1ccc(c(Cl)c1)-c1cccc(COc2ccc(cc2)C#CC(O)=O)c1
Cc1ccc(c(Cl)c1)-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
Cc1ccc(cc1)-c1cc2cc(CCC(O)=O)ccc2[nH]1
Cc1ccc(cc1)-c1ccc(Cl)cc1COc1ccc(CCC(O)=O)cc1
Cc1ccc(cc1)-c1ccc(F)cc1COc1ccc(CCC(O)=O)cc1
Cc1ccc(cc1)-c1ccc(F)cc1OCc1ccc(CCC(O)=O)cc1
Cc1ccc(cc1)-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Cc1ccc(cc1)-c1ccccc1COc1ccc(CCC(O)=O)cc1
Cc1ccc(cc1)-c1noc(COc2ccc(CCC(O)=O)cc2)n1
Cc1ccc(cc1)C#Cc1ccc(CCC(O)=O)cc1
Cc1ccc(cc1)S(=O)(=O)NC1c2ccccc2Oc2ccccc12
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(N)c(c1)C(F)(F)F
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1C#Cc1ccc(CCC(O)=O)c(F)c1)C#N
Cc1ccc2ccccc2c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Cc1cccc(C#Cc2ccc(CCC(O)=O)cc2)c1C
Cc1cccc(C)c1-c1cc(COc2ccc3C(CC(O)=O)COc3c2)ccc1OCc1ccccc1 |(29.58,-44.67,;29.58,-46.21,;28.25,-46.98,;28.26,-48.52,;29.6,-49.29,;30.93,-48.51,;32.27,-49.27,;30.92,-46.98,;32.25,-46.2,;33.58,-46.97,;34.91,-46.2,;36.24,-46.97,;37.58,-46.19,;38.91,-46.96,;38.91,-48.5,;40.25,-49.26,;41.58,-48.48,;43.05,-48.94,;43.53,-50.41,;45.04,-50.72,;45.53,-52.18,;46.06,-49.56,;43.94,-47.69,;43.03,-46.45,;41.57,-46.94,;40.23,-46.18,;34.9,-44.66,;33.56,-43.89,;32.23,-44.67,;30.89,-43.91,;30.88,-42.37,;29.54,-41.61,;29.53,-40.08,;28.19,-39.32,;26.87,-40.1,;26.88,-41.65,;28.22,-42.4,)|
Cc1cccc(C)c1-c1cc2cc(CCC(O)=O)ccc2[nH]1
Cc1cccc(C)c1-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1cccc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:25.28,14.20,wD:27.32,(-5.95,-3.34,;-5.48,-1.88,;-6.51,-.73,;-6.03,.73,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;-3.97,-1.56,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
Cc1cccc(C)c1-c1ccc(OCCCS(C)(=O)=O)c(COc2ccc3[C@H](CC(O)=O)COc3c2)c1
Cc1cccc(C)c1-c1cccc(CCc2ccc(CCC(O)=O)cc2)c1
Cc1cccc(C)c1-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Cc1cccc(C)c1-c1cccc(CNc2ccc(CCC(O)=O)cc2)c1
Cc1cccc(C)c1-c1cccc(COc2cc(C)c(CCC(O)=O)cn2)c1
Cc1cccc(C)c1-c1cccc(COc2cc(F)c(CCC(O)=O)c(F)c2)c1
Cc1cccc(C)c1-c1cccc(COc2cc3COC(CC(O)=O)c3cn2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(CC(F)C(O)=O)cc2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(CC(F)C(O)=O)cn2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(CC3SC(=O)NC3=O)cc2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(CC3SC(=O)NC3=O)s2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(C)n2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1C |(-7.65,4.87,;-7.65,3.33,;-8.98,2.56,;-8.98,1.01,;-7.65,.24,;-6.31,1.02,;-4.97,.25,;-6.31,2.57,;-4.99,3.34,;-5,4.87,;-3.67,5.65,;-2.33,4.89,;-2.32,3.34,;-.99,2.58,;.35,3.35,;1.68,2.59,;1.68,1.05,;3.01,.28,;4.35,1.06,;5.68,.29,;7.01,1.07,;8.35,.31,;8.36,-1.24,;9.69,1.08,;4.34,2.6,;3,3.36,;-3.65,2.57,;-3.65,1.03,)|
Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cn2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)nc2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)nn2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)s2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(Cn3oc(=O)[n-]c3=O)cc2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(SCC(O)=O)cc2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(cc2)C#CC(O)=O)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r|
Cc1cccc(C)c1-c1cccc(COc2ccc(cn2)C(F)CC(O)=O)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(s2)C(CC(O)=O)C#N)c1
Cc1cccc(C)c1-c1cccc(COc2ccc(s2)C(CC(O)=O)C2CC2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCCc3c2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCc3c2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCc3c2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCc3n2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)Cc3c2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc3CC(CCOc3c2)C(O)=O)c1
Cc1cccc(C)c1-c1cccc(COc2ccc3c(CC(O)=O)coc3c2)c1
Cc1cccc(C)c1-c1cccc(COc2ccc3n(CC(O)=O)ccc3c2)c1
Cc1cccc(C)c1-c1cccc(COc2cn(CCC(O)=O)nn2)c1
Cc1cccc(C)c1-c1cccc(COc2cnc(CCC(O)=O)cn2)c1
Cc1cccc(C)c1-c1cccc(COc2csc(CCC(O)=O)c2)c1
Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(O)=O)cc2C)c1
Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(O)=O)cn2)c1
Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(O)=O)s2)c1
Cc1cccc(C)c1-c1cccc(CSc2ccc(CCC(O)=O)cc2)c1
Cc1cccc(C)c1-c1cccc(OCc2ccc(CCC(O)=O)s2)c1
Cc1cccc(C)c1-c1cccc(OCc2cn(CCC(O)=O)nn2)c1
Cc1cccc(C)c1-c1cccc(OCn2cc(CCC(O)=O)nn2)c1
Cc1cccc(C)c1-c1cccc(c1)-c1cc2cc(CCC(O)=O)ccc2o1
Cc1cccc(C)c1-c1cccc(c1)C1CCCc2cc(CCC(O)=O)ccc2O1
Cc1cccc(C)c1-c1cccc(c1)C1Cc2cc(CCC(O)=O)ccc2O1
Cc1cccc(C)c1-c1cccc(c1)[C@@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
Cc1cccc(C)c1-c1cccc(c1)[C@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
Cc1cccc(C)c1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Cc1cccc(C)c1Oc1cccc(COc2ccc(CCC(O)=O)cc2)c1
Cc1cccc(COc2ccc(CCC(O)=O)cc2C)c1
Cc1cccc(NC(=O)c2nnc(COc3ccc(CCC(O)=O)cc3)s2)c1
Cc1cccc(NC(=O)c2nnc(s2)C(=O)Nc2ccc(OCC(O)=O)cc2)c1
Cc1cccc(NC(=O)c2nnc(s2)C(=O)Nc2ccc(OCC(O)=O)cc2)c1C
Cc1cccc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)c1
Cc1cccc(OCC(=O)Nc2ccc(OCC(O)=O)c(F)c2)c1
Cc1cccc(OCCCOc2ccc3C(CC(O)=O)COc3c2)c1
Cc1cccc(OCc2nnc(s2)C(=O)Nc2ccc(CCC(O)=O)cc2)c1
Cc1cccc(Oc2cc(C)c(c(C)c2)-c2cccc(COc3ccc(CCC(O)=O)c(F)c3)c2)n1
Cc1cccc(Oc2cc(F)cc(c2)N2Cc3ccccc3S2(=O)=O)c1
Cc1cccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1
Cc1cccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1C
Cc1cccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)n1
Cc1cccc(Oc2ccc(cc2)N2CCC[C@H]2CC(O)=O)c1 |r|
Cc1cccc(Oc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c1C |r|
Cc1cccc(Oc2cccc(COc3ccc(CCC(O)=O)cc3)c2)c1
Cc1cccc(c1)-c1cc2cc(CCC(O)=O)ccc2[nH]1
Cc1cccc(c1)-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Cc1cccc(c1)-c1cccc(COc2ccc(cc2)C#CC(O)=O)c1
Cc1cccc(c1)-c1cccc(NC(=O)c2nnc(CCC(O)=O)s2)c1
Cc1cccc(c1)-c1ccccc1COc1ccc(CCC(O)=O)cc1
Cc1cccc(c1)-c1noc(COc2ccc(CCC(O)=O)cc2Cl)n1
Cc1cccc(c1)C#Cc1ccc(CCC(O)=O)c(F)c1
Cc1cccc(c1)C#Cc1ccc(CCC(O)=O)cc1
Cc1cccc(c1)C#Cc1ccc(OCC(O)=O)cc1
Cc1cccc(c1C)-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Cc1cccc(n1)C#Cc1ccc(CCC(O)=O)cc1
Cc1ccccc1-c1cc(ccn1)C#Cc1ccc(CCC(O)=O)cc1
Cc1ccccc1-c1cc2cc(CCC(O)=O)ccc2[nH]1
Cc1ccccc1-c1ccc(COc2cccc(c2)S(=O)(=O)CC(O)=O)cc1
Cc1ccccc1-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Cc1ccccc1-c1cccc(CNc2ccc(CCC(O)=O)cc2)c1
Cc1ccccc1-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
Cc1ccccc1-c1cccc(COc2ccc(CC3SC(=O)NC3=O)cc2)c1
Cc1ccccc1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Cc1ccccc1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
Cc1ccccc1-c1cccc(COc2ccc(cc2)C#CC(O)=O)c1
Cc1ccccc1-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
Cc1ccccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r|
Cc1ccccc1-c1cccc(c1)[C@@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
Cc1ccccc1-c1cccc(c1)[C@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
Cc1ccccc1-c1ccccc1COc1ccc(CCC(O)=O)cc1
Cc1ccccc1-c1csc2ccc(COc3ccc(CCC(O)=O)cc3)cc12
Cc1ccccc1-c1csc2ccc(COc3ccc(cc3)C3(CC(O)=O)CC(=O)C3)cc12
Cc1ccccc1-c1csc2ccc(COc3ccc(cc3)[C@@]3(CC(O)=O)C[C@H](O)C3)cc12 |r,wU:22.23,wD:28.30,(-4.31,-.63,;-5.64,-1.4,;-5.64,-2.94,;-6.98,-3.71,;-8.31,-2.94,;-8.31,-1.4,;-6.98,-.63,;-6.98,.91,;-8.22,1.82,;-7.75,3.28,;-6.21,3.28,;-5.17,4.43,;-3.67,4.11,;-3.19,2.64,;-1.71,2.24,;-1.31,.76,;.18,.36,;.58,-1.13,;2.07,-1.53,;3.16,-.44,;2.76,1.05,;1.27,1.45,;4.64,-.84,;5.73,.25,;7.22,-.15,;8.31,.94,;7.62,-1.63,;5.98,-1.61,;5.21,-2.94,;5.61,-4.43,;3.87,-2.17,;-4.22,1.5,;-5.73,1.82,)|
Cc1ccccc1-c1csc2ccc(OCc3ccc(CCC(O)=O)cc3)cc12
Cc1ccccc1C#Cc1ccc(CCC(O)=O)c(F)c1
Cc1ccccc1C#Cc1ccc(CCC(O)=O)cc1
Cc1ccccc1C#Cc1ccc(OCC(O)=O)cc1
Cc1ccccc1C(=O)c1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Cc1ccccc1COc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Cc1ccccc1COc1ccc(cc1C)N1CCC[C@H]1CC(O)=O |r|
Cc1ccccc1COc1ccc(cn1)N1CCC[C@H]1CC(O)=O |r|
Cc1ccccc1Cc1ccc(cc1)N1CCC[C@@]1(C)CC(O)=O |r|
Cc1ccccc1Cc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Cc1ccccc1Cc1ccc(cc1)N1CC[C@@H]([C@H]1CC(O)=O)c1ccccc1 |r|
Cc1ccccc1Cc1ccc(cc1)N1C[C@@H](F)C[C@H]1CC(O)=O |r|
Cc1ccccc1Cc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Cc1ccccc1Cc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)c1ccccc1 |r|
Cc1ccccc1NC(=O)c1nnc(COc2ccc(CCC(O)=O)cc2)s1
Cc1ccccc1NC(=O)c1nnc(s1)C(=O)Nc1ccc(OCC(O)=O)cc1
Cc1ccccc1Nc1nc(N)nc(COc2ccc3c(C)cc(=O)oc3c2)n1
Cc1ccccc1OCCCOc1ccc2C(CC(O)=O)COc2c1
Cc1ccccc1OCc1nnc(s1)C(=O)Nc1ccc(CCC(O)=O)cc1
Cc1ccccc1Oc1cc(F)cc(c1)N1Cc2ccccc2S1(=O)=O
Cc1ccccc1Oc1ccc(Cc2sc(=O)[nH]c2O)cc1
Cc1ccccc1Oc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Cc1ccccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r|
Cc1ccccc1Oc1ccc(cc1)N1N=C(CC1CC(O)=O)C#N |c:17|
Cc1ccccc1Oc1cccc(COc2ccc(CCC(O)=O)cc2)c1
Cc1ccccc1S(=O)(=O)c1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Cc1ccccc1Sc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Cc1ccccc1[S+]([O-])c1ccc(cc1)N1CCC[C@H]1CC(O)=O |r|
Cc1cccnc1Oc1ccc(Cc2sc(=O)[nH]c2O)cc1
Cc1ccnc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1
Cc1ccsc1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Cc1ccsc1C#Cc1ccc(CCC(O)=O)cc1
Cc1cnc(Cl)nc1C#Cc1ccc(CCC(O)=O)cc1
Cc1cnc(F)c(c1)C#Cc1ccc(CCC(O)=O)cc1
Cc1cnc(F)cc1C#Cc1ccc(CCC(O)=O)cc1
Cc1cnc(Oc2cc(Cl)c(F)c(c2)-c2ccc3O[C@@H](CCC(O)=O)CCc3c2)s1 |r|
Cc1cnc(nc1)-c1cc(C)c(c(C)c1)-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1cnc(nc1)-c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.36,21.28,wD:34.40,(-14,7.9,;-12.97,6.76,;-11.47,7.08,;-10.44,5.93,;-10.91,4.47,;-12.42,4.15,;-13.45,5.29,;-9.88,3.32,;-8.38,3.64,;-7.35,2.5,;-5.84,2.82,;-7.82,1.04,;-9.33,.71,;-9.8,-.75,;-10.36,1.86,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cnc(nc1)-c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.36,21.28,wD:34.40,(-10.15,5.31,;-9.12,4.17,;-7.62,4.49,;-6.59,3.34,;-7.06,1.88,;-8.57,1.56,;-9.6,2.7,;-6.03,.73,;-6.51,-.73,;-5.48,-1.88,;-5.95,-3.34,;-3.97,-1.56,;-3.49,-.09,;-1.99,.23,;-4.52,1.05,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
Cc1nc(C)c(COc2cc(C)c(c(C)c2)-c2cccc(COc3ccc4[C@H](CC(O)=O)COc4c3)c2)s1 |r|
Cc1nc(cs1)-c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:31.35,20.27,wD:33.39,(-10.73,3.44,;-9.22,3.12,;-8.59,1.72,;-7.06,1.88,;-6.74,3.38,;-8.07,4.15,;-6.03,.73,;-6.51,-.73,;-5.48,-1.88,;-5.95,-3.34,;-3.97,-1.56,;-3.49,-.09,;-1.99,.23,;-4.52,1.05,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
Cc1nc(cs1)-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Cc1nc(cs1)-c1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)cc1 |r|
Cc1nc(oc1COc1ccc(OCC(O)=O)c(F)c1)-c1ccccc1
Cc1nc(sc1CNc1ccc(CC(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1CNc1ccc(CCC(N)=O)cc1)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1CNc1ccc(CCC(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1CNc1ccc(CCCC(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1CNc1ccc(OCC(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1CNc1ccc(\C=C\C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1CNc1ccc(cc1)C(O)=O)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1CNc1ccc(cc1)C1CC1C(O)=O)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1CNc1ccc(cc1)[C@@H]1C[C@@H]1C(O)=O)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1CNc1ccc(cc1)[C@H]1C[C@@H]1C(=O)NC1CCC1)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1CNc1ccc(cc1)[C@H]1C[C@@H]1C(=O)NC1CCNC1)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1CNc1ccc(cc1)[C@H]1C[C@@H]1C(=O)NO)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1CNc1ccc(cc1)[C@H]1C[C@@H]1C(N)=O)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1CNc1ccc(cc1)[C@H]1C[C@@H]1C(O)=O)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1COc1ccc(CCC(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1COc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1COc1ccc(OCC(O)=O)c(C)c1)-c1ccccc1
Cc1nc(sc1COc1ccc(OCC(O)=O)c(F)c1)-c1ccc(C)cc1
Cc1nc(sc1COc1ccc(OCC(O)=O)c(F)c1)-c1ccc(F)cc1
Cc1nc(sc1COc1ccc(OCC(O)=O)c(F)c1)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1COc1ccc(OCC(O)=O)c(F)c1)-c1cccc(C)c1
Cc1nc(sc1COc1ccc(OCC(O)=O)c(F)c1)-c1cccc(F)c1
Cc1nc(sc1COc1ccc(OCC(O)=O)c(F)c1)-c1ccccc1
Cc1nc(sc1COc1ccc(cc1)S(=O)(=O)CC(O)=O)-c1ccc(F)cc1
Cc1nc(sc1COc1ccc(cc1)S(=O)(=O)CC(O)=O)-c1cccc(C)c1
Cc1nc(sc1COc1ccc(cc1)S(=O)(=O)CC(O)=O)-c1cccc(Cl)c1
Cc1nc(sc1COc1ccc(cc1)S(=O)(=O)CC(O)=O)-c1cccc(F)c1
Cc1nc(sc1COc1ccc(cc1)S(=O)(=O)CC(O)=O)-c1ccccc1
Cc1nc(sc1COc1ccc(cc1)S(=O)(=O)CC(O)=O)-c1ccccc1F
Cc1nc(sc1COc1ccc(cc1)[C@H](CC(O)=O)c1ccon1)-c1ccc(cc1)C(F)(F)F |r|
Cc1nc(sc1COc1ccc(cc1)[C@H](CC(O)=O)c1cnco1)-c1ccc(cc1)C(F)(F)F |r|
Cc1nc(sc1COc1ccc(cc1)[C@H](CC(O)=O)c1nccn1C)-c1ccc(cc1)C(F)(F)F |r|
Cc1nc(sc1COc1ccc(cc1)[C@H](CC(O)=O)c1ncco1)-c1ccc(cc1)C(F)(F)F |r|
Cc1nc(sc1COc1ccc(cc1)[C@H](CC(O)=O)c1ncnn1C)-c1ccc(cc1)C(F)(F)F |r|
Cc1nc(sc1COc1ccc(cc1)[C@H](CC(O)=O)c1nnnn1C)-c1ccc(cc1)C(F)(F)F |r|
Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1ccc(C)cc1
Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1ccc(Cl)cc1
Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1ccc(F)cc1
Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1ccc(cc1)C(F)(F)F
Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1cccc(C)c1
Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1cccc(Cl)c1
Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1cccc(F)c1
Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1ccccc1
Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1ccsc1
Cc1nc(sc1COc1ccc2[C@H](CC(O)=O)COc2c1)-c1ccc(cc1)C(F)(F)F |r|
Cc1ncc(s1)-c1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)cc1 |r|
Cc1ncccc1-c1cc2cc(CCC(O)=O)ccc2[nH]1
Cc1ncccc1-c1csc2ccc(COc3ccc(cc3)C3(CC(O)=O)CC(=O)C3)cc12
Cc1ncccc1-c1csc2ccc(COc3ccc(cc3)[C@@]3(CC(O)=O)C[C@H](O)C3)cc12 |r,wU:22.23,wD:28.30,(-4.32,-1.26,;-5.81,-1.66,;-6.21,-3.15,;-7.7,-3.55,;-8.78,-2.46,;-8.39,-.97,;-6.9,-.57,;-6.5,.91,;-7.75,1.82,;-7.27,3.28,;-5.73,3.28,;-4.7,4.43,;-3.19,4.11,;-2.72,2.64,;-1.23,2.24,;-.83,.76,;.66,.36,;1.06,-1.13,;2.54,-1.53,;3.63,-.44,;3.23,1.05,;1.75,1.45,;5.12,-.84,;6.21,.25,;7.7,-.15,;8.78,.94,;8.09,-1.63,;6.45,-1.61,;5.68,-2.94,;6.08,-4.43,;4.35,-2.17,;-3.75,1.5,;-5.25,1.82,)|
Cc1nn(-c2ccc(C)cc2)c2cc(cc(F)c12)-c1ccc(cc1)[C@H]1C[C@@H]1C(O)=O |r|
Cc1nn(-c2ccc(C)cc2)c2cc(ccc12)-c1ccc(cc1)[C@H]1C[C@@H]1C(O)=O |r|
Cc1nn(-c2ccc(C)cc2)c2cc(ncc12)-c1ccc(cc1)[C@H]1C[C@@H]1C(O)=O |r|
Cc1nn(-c2ccc(C)cn2)c2cc(ncc12)-c1ccc(cc1F)[C@H]1C[C@@H]1C(O)=O |r|
Cc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(CC(C)(C)C(O)=O)cc1
Cc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(CCC(O)=O)cc1
Cc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(CCC(O)=O)cc1C#N
Cc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(CCC(O)=O)cc1Cl
Cc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(CCC(O)=O)cc1F
Cc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(CCCC(O)=O)cc1
Cc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(cc1)[C@@H]1C[C@H]1C(O)=O |r|
Cc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(cc1)[C@H]1C[C@@H]1C(O)=O |r|
Cc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(cc1)[C@H]1C[C@H]1C(O)=O |r|
Cc1nn(-c2ccccn2)c2cc(ccc12)-c1cccc(CCC(O)=O)c1
Cc1nn(-c2ccccn2)c2cc(ncc12)-c1ccc(CCC(O)=O)cc1
Cc1nn(C)c(C)c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Cc1nnc(NC(=O)c2nnc(s2)C(=O)Nc2ccc(OCC(O)=O)cc2)s1
Cc1nnc(o1)-c1ccc(cc1)-c1cccc2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r|
Cc1noc(C)c1-c1cc(C)cc(COc2ccc(CCC(O)=O)c(F)c2)c1
Cc1noc(C)c1-c1cc(COc2ccc(CCC(O)=O)c(F)c2)cc(OC2CCCC2)c1
Cc1noc(C)c1-c1cc(COc2ccc(CCC(O)=O)c(F)c2)cc(OCC2CC2)c1
Cc1noc(C)c1-c1cc(COc2ccc(CCC(O)=O)c(F)c2)cc(c1)C(F)(F)F
Cc1noc(C)c1-c1cc(COc2ccc(CCC(O)=O)c(F)c2)ccc1Cl |(4.31,.3,;4.06,-.91,;5.09,-2.05,;4.31,-3.38,;2.81,-3.06,;1.89,-3.88,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-2.66,-3.08,;-4,-3.86,;-5.33,-3.09,;-6.66,-3.86,;-6.66,-5.4,;-8,-6.17,;-9.33,-5.39,;-10.67,-6.16,;-10.67,-7.39,;-11.74,-5.54,;-5.33,-6.17,;-5.33,-7.4,;-4,-5.4,;-1.33,.77,;,1.54,;1.33,.77,;2.4,1.39,)|
Cc1noc(C)c1-c1cc(COc2ccc(CCC(O)=O)c(F)c2)ccc1F |(4.31,.3,;4.06,-.91,;5.09,-2.05,;4.31,-3.38,;2.81,-3.06,;1.89,-3.88,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-2.66,-3.08,;-4,-3.86,;-5.33,-3.09,;-6.66,-3.86,;-6.66,-5.4,;-8,-6.17,;-9.33,-5.39,;-10.67,-6.16,;-10.67,-7.39,;-11.74,-5.54,;-5.33,-6.17,;-5.33,-7.4,;-4,-5.4,;-1.33,.77,;,1.54,;1.33,.77,;2.4,1.39,)|
Cc1noc(C)c1-c1cc(COc2ccc(CCC(O)=O)c(F)c2)ccn1
Cc1noc(C)c1-c1cc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)ccc1Cl |(24.09,-11.88,;23.77,-10.36,;24.8,-9.21,;24.03,-7.86,;22.51,-8.19,;21.36,-7.15,;22.35,-9.73,;21,-10.5,;19.67,-9.73,;18.34,-10.5,;17,-9.73,;15.67,-10.5,;14.34,-9.73,;14.34,-8.19,;13,-7.42,;11.67,-8.19,;11.67,-9.73,;13,-10.5,;10.33,-7.41,;9.55,-6.08,;11.1,-6.07,;9,-8.18,;7.68,-7.4,;6.34,-8.16,;7.68,-5.87,;18.34,-12.04,;19.67,-12.81,;21,-12.04,;22.34,-12.81,)|
Cc1noc(C)c1-c1cc(COc2ccc3C(CC(O)=O)COc3c2)ccc1Cl |(61.19,-7.24,;61.51,-8.75,;60.48,-9.89,;61.25,-11.23,;62.75,-10.91,;63.9,-11.94,;62.91,-9.38,;64.25,-8.61,;65.59,-9.38,;66.92,-8.61,;68.26,-9.37,;69.59,-8.6,;70.92,-9.37,;70.92,-10.91,;72.25,-11.67,;73.59,-10.9,;75.06,-11.36,;75.55,-12.82,;77.06,-13.13,;77.55,-14.59,;78.09,-11.98,;75.96,-10.1,;75.04,-8.86,;73.58,-9.35,;72.24,-8.59,;66.92,-7.05,;65.58,-6.29,;64.25,-7.06,;62.92,-6.29,)|
Cc1noc(C)c1-c1cc(COc2ccc3[C@H](CC(O)=O)COc3c2)ccc1Cl |r,wU:16.17,(6.52,-4.65,;6.84,-6.16,;5.81,-7.3,;6.58,-8.64,;8.09,-8.32,;9.23,-9.35,;8.25,-6.79,;9.58,-6.02,;10.92,-6.79,;12.26,-6.02,;13.59,-6.78,;14.92,-6.01,;16.26,-6.78,;16.25,-8.32,;17.59,-9.08,;18.93,-8.31,;20.4,-8.77,;20.88,-10.23,;22.39,-10.54,;22.89,-12,;23.42,-9.39,;21.29,-7.51,;20.37,-6.27,;18.91,-6.76,;17.58,-6,;12.25,-4.47,;10.92,-3.7,;9.59,-4.47,;8.25,-3.7,)|
Cc1noc(C)c1-c1cc(Cl)cc(COc2ccc(CCC(O)=O)c(F)c2)c1
Cc1noc(C)c1-c1cc(F)cc(COc2ccc(CCC(O)=O)c(F)c2)c1
Cc1noc(C)c1-c1ccc(C)c(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
Cc1noc(C)c1-c1ccc(C)c(COc2ccc3C(CC(O)=O)COc3c2)c1
Cc1noc(C)c1-c1ccc(Cl)c(COc2ccc(CCC(O)=O)c(F)c2)c1
Cc1noc(C)c1-c1ccc(Cl)c(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
Cc1noc(C)c1-c1ccc(Cl)c(COc2ccc3C(CC(O)=O)COc3c2)c1
Cc1noc(C)c1-c1ccc(F)c(COc2ccc(CCC(O)=O)c(F)c2)c1
Cc1noc(C)c1-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
Cc1noc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Cc1noc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1F |(4.31,.3,;4.06,-.91,;5.09,-2.05,;4.31,-3.38,;2.81,-3.06,;1.89,-3.88,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-5.34,-1.53,;-5.34,-3.07,;-6.67,-3.84,;-8.01,-3.07,;-9.34,-3.85,;-9.34,-5.39,;-10.67,-6.16,;-11.74,-5.55,;-10.67,-7.39,;-8.01,-1.53,;-9.07,-.92,;-6.67,-.76,;,-1.54,;,-2.77,)|
Cc1noc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)n1
Cc1noc(C)c1-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
Cc1noc(C)c1-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1C |(24.09,-11.88,;23.77,-10.36,;24.8,-9.21,;24.03,-7.86,;22.51,-8.19,;21.36,-7.15,;22.35,-9.73,;21,-10.5,;21,-12.04,;19.67,-12.81,;18.34,-12.04,;18.34,-10.5,;17,-9.73,;15.67,-10.5,;14.34,-9.73,;14.34,-8.19,;13,-7.42,;11.67,-8.19,;11.67,-9.73,;13,-10.5,;10.33,-7.41,;9.55,-6.08,;11.1,-6.07,;9,-8.18,;7.68,-7.4,;6.34,-8.16,;7.68,-5.87,;19.67,-9.73,;19.67,-8.19,)|
Cc1noc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Cc1noc(C)c1-c1ccnc(COc2ccc(CCC(O)=O)c(F)c2)c1
Cc1noc(C)c1-c1cncc(COc2ccc(CCC(O)=O)c(F)c2)c1
Cc1noc(C)c1C#Cc1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Cc1oc(nc1COc1ccc(CCC(O)=O)cc1)-c1ccccc1
Cc1sc(nc1CNc1ccc(OCC(O)=O)c(F)c1)-c1ccccc1
Cc1sc(nc1COc1ccc(OCC(O)=O)c(F)c1)-c1ccccc1
Cl.CC(C)(CC(O)=O)c1ccc(OCc2cccc(c2)-c2cccc3CN(Cc4ccccc4)CCc23)cc1
Cl.CC1CCOC2(CCN(Cc3ccc(COc4ccc(CCC(O)=O)cc4)cc3)CC2)C1
Cl.CCOC1CCOC2(CCN(Cc3ccc(COc4ccc(CCC(O)=O)cc4)cc3)CC2)C1
Cl.COC1CCOC2(CCN(Cc3ccc(COc4ccc(CCC(O)=O)cc4)cc3)CC2)C1
Cl.COCCc1noc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)n1
Cl.COc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)cc1
Cl.Cc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)cc1
Cl.Cl.Cc1cccc(OCCC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)n1
Cl.Cl.Cc1ccnc(OCCC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)c1
Cl.Cl.Cc1cnc(C)c(OCCC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)n1
Cl.Cl.Cc1nccnc1OCCC1CCOC2(CCN(Cc3ccc(COc4ccc(CCC(O)=O)cc4)cc3)CC2)C1
Cl.Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccc(cn3)C(F)(F)F)CCO4)cc2)cc1
Cl.Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccc5ccccc5n3)CCO4)cc2)cc1
Cl.Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3cccnc3)CCO4)cc2)cc1
Cl.Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccncc3)CCO4)cc2)cc1
Cl.Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3cnccn3)CCO4)cc2)cc1
Cl.Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3nc(nc5CCCc35)C3CC3)CCO4)cc2)cc1
Cl.Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ncccn3)CCO4)cc2)cc1
Cl.Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ncnc5CCCc35)CCO4)cc2)cc1
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCO4)OCC3CC3)cc2)cc1
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCO4)OCc3ccc(F)cc3)cc2)cc1
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCO4)OCc3ccc(cc3)C(F)(F)F)cc2)cc1
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCO4)OCc3cccc(F)c3)cc2)cc1
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCO4)OCc3ccccc3)cc2)cc1
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccc(F)cc3)CCO4)cc2)cc1
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccc(F)cc3)CCO4)cc2)cc1
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccc(cc3)C(F)(F)F)CCO4)cc2)cc1
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3cccc(F)c3)CCO4)cc2)cc1
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccccc3)CCO4)cc2)cc1
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccccc3F)CCO4)cc2)cc1
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3nc(no3)-c3cccnc3)CCO4)cc2)cc1
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3nc(no3)C3CC3)CCO4)cc2)cc1
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CCCCO4)CC3)cc2)cc1
Cl.OC(=O)C[C@@H]1COc2cc(OCc3cccc(c3)-c3ccc4CCN(Cc5ccccc5)Cc4c3)ccc12 |r|
Cl.OC(=O)C[C@@H]1COc2cc(OCc3cccc(c3)-c3ccc4CN(CCc5ccccc5)CCc4c3)ccc12 |r|
Cl.OC(=O)C[C@@H]1COc2cc(OCc3cccc(c3)-c3ccc4CN(Cc5ccccc5)CCc4c3)ccc12 |r|
Cl.OC(=O)C[C@@H]1COc2cc(OCc3cccc(c3)-c3ccc4CN(Cc5ccccc5)Cc4c3)ccc12 |r|
Cl.OC(=O)C[C@@H]1COc2cc(OCc3cccc(c3)-c3cccc4CN(Cc5ccccc5)CCc34)ccc12 |r|
Clc1cc(Oc2ccccn2)cc(c1)N1Cc2ccccc2S1(=O)=O
Clc1ccc(O[C@@H](CCOc2ccc(CC3SC(=O)NC3=O)cc2)c2ccccc2)c(Cl)c1 |r|
Clc1ccc(O[C@@H](CCOc2ccc(CC3SC(=O)NC3=O)cc2)c2ccccc2)cc1 |r|
Clc1ccc(Oc2ccc(CC3CC(=O)NC3=O)cc2)c(Cl)c1
Clc1ccc2ccn(CCOc3ccc(CC4SC(=O)NC4=O)cc3)c2c1
Cn1c(cc2cc(CCC(O)=O)ccc12)-c1ccc(Cl)cc1
Cn1c(cc2cc(CCC(O)=O)ccc12)-c1cccc(Cl)c1
Cn1c(cc2cc(CCC(O)=O)ccc12)-c1ccccc1Br
Cn1ccnc1-c1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)cc1 |r|
Cn1ccnc1C(CC(O)=O)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1
Cn1ccnc1C(CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1
Cn1ccnc1[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(Cl)cc2Cl)cc1 |r|
Cn1ccnc1[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccccc2C#N)cc1 |r|
Cn1ccnc1[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccccc2Cl)cc1 |r|
Cn1ccnc1[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccccc2OC(F)(F)F)cc1 |r|
Cn1ccnc1[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccccc2S(C)(=O)=O)cc1 |r|
Cn1cncc1C(CC(O)=O)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1
Cn1nc(COCc2ccccc2F)c2CN(Cc3ccc(COc4ccc(CCC(O)=O)cc4)cc3)CCc12
Cn1nccc1-c1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)c(F)c1 |r|
Cn1nnc(n1)-c1ccc(Oc2ccc(F)c3[C@@H](CCc23)Oc2ccc3[C@H](CC(O)=O)COc3c2)cc1 |r|
Cn1nncc1C(CC(O)=O)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1
FC(F)(F)c1ccc(O[C@@H](CCOc2ccc(CC3SC(=O)NC3=O)cc2)c2ccccc2)cc1 |r|
FC(F)(F)c1ccc(cc1)-c1cccc(COc2ccc(CC3SC(=O)NC3=O)cc2)c1
FC(F)(F)c1ccc(cc1)C(OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccc1
Fc1cc(OCc2ccccc2)cc(c1)N1Cc2ccccc2S1(=O)=O
Fc1cc(Oc2ccc(cc2)C#N)cc(c1)N1Cc2ccccc2S1(=O)=O
Fc1cc(Oc2cccc(CC#N)c2)cc(c1)N1Cc2ccccc2S1(=O)=O
Fc1cc(Oc2cccc(c2)C#N)cc(c1)N1Cc2ccccc2S1(=O)=O
Fc1cc(Oc2ccccc2)cc(c1)N1Cc2ccccc2S1(=O)=O
Fc1cc(Oc2ccccc2C#N)cc(c1)N1Cc2ccccc2S1(=O)=O
Fc1cc(Oc2ccccn2)cc(c1)N1Cc2ccccc2S1(=O)=O
Fc1cc(Oc2cccnc2)cc(c1)N1Cc2ccccc2S1(=O)=O
Fc1cc(Oc2ccncc2)cc(c1)N1Cc2ccccc2S1(=O)=O
Fc1ccc(OC(F)(F)F)cc1-c1ccc2O[C@@H](CCc3nnn[nH]3)CCc2c1 |r|
Fc1ccc(OC(F)(F)F)cc1-c1ccc2oc(CCc3nn[nH]n3)cc2c1
Fc1ccc(OC2CCC2)cc1-c1ccc2O[C@@H](CCc3nnn[nH]3)CCc2c1 |r|
Fc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Fc1cccc2[nH]cc(Cc3c[nH]c4cccc(F)c34)c12
NC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
NC(=O)c1cccc(CNc2ccc(CCC(O)=O)cc2)c1
Nc1cc(F)c(c(F)c1)-c1ccc(F)c(CNc2ccc(nc2)[C@H]2C[C@@H]2C(O)=O)c1 |r|
Nc1cc(F)c(c(F)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O |r,wU:26.29,15.21,wD:28.33,(-7.06,1.88,;-6.03,.73,;-6.51,-.73,;-5.48,-1.88,;-5.95,-3.34,;-3.97,-1.56,;-3.49,-.09,;-1.99,.23,;-4.52,1.05,;-2.94,-2.7,;-3.42,-4.17,;-2.38,-5.31,;-.88,-4.99,;.15,-6.13,;-.4,-3.53,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;2.32,-3.67,;3.66,-2.9,;3.66,-1.36,;4.99,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;7.66,-.59,;8.99,.18,;8.99,-1.36,;10.33,-.59,;11.66,-1.36,;10.33,.95,)|
Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1C(F)(F)F
Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1C(F)(F)F
Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F
Nc1ccc(NS(=O)(=O)c2ccc(O)cc2)cc1C(F)(F)F
Nc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F
Nc1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1C(F)(F)F
Nc1ccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1C(F)(F)F
Nc1ccc(NS(=O)(=O)c2ccccc2)cc1
Nc1ccc(NS(=O)(=O)c2ccccc2)cc1C(F)(F)F
Nc1ccc(NS(=O)(=O)c2ccccc2)cc1F
Nc1ccc(NS(=O)(=O)c2ccccc2)cc1[N+]([O-])=O
Nc1cccc(c1)C#Cc1ccc(CCC(O)=O)cc1
O=C(CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1)N1CCCC1
O=C1NC(=O)C(Cc2ccc(OCCOC(c3ccccc3)c3ccccc3)cc2)S1
O=C1NC(=O)C(Cc2ccc(OCCn3ccc4ccccc34)cc2)S1
O=C1NC(=O)C(Cc2ccc(OCCn3cnc4ccccc34)cc2)S1
O=C1NC(=O)C(Cc2ccc(OCc3cccc(c3)-c3ccccc3)cc2)S1
O=C1NC(=O)C(Cc2ccc(OCc3nc4ccccc4n3Cc3ccccc3)cc2)S1
O=S1(=O)N(Cc2ccccc12)c1cccc(Oc2ccccc2)c1
O=S1(=O)N(Cc2ccccc12)c1cccc(Oc2ccccn2)c1
OC(=O)C#Cc1ccc(OCc2ccc(Oc3ccccc3)cc2)cc1
OC(=O)C#Cc1ccc(OCc2cccc(OCc3ccccc3)c2)cc1
OC(=O)C#Cc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
OC(=O)C#Cc1ccc(OCc2cccc(c2)-c2cc(F)ccc2F)cc1
OC(=O)C#Cc1ccc(OCc2cccc(c2)-c2ccc(F)cc2)cc1
OC(=O)C#Cc1ccc(OCc2cccc(c2)-c2ccc(OC(F)(F)F)cc2)cc1
OC(=O)C#Cc1ccc(OCc2cccc(c2)-c2cccc(F)c2)cc1
OC(=O)C#Cc1ccc(OCc2cccc(c2)-c2cccc(c2)C(F)(F)F)cc1
OC(=O)C#Cc1ccc(OCc2cccc(c2)-c2ccccc2)cc1
OC(=O)C#Cc1ccc(OCc2cccc(c2)-c2ccccc2Cl)cc1
OC(=O)C#Cc1ccc(OCc2cccc(c2)-c2ccccc2OC(F)(F)F)cc1
OC(=O)C(Cc1ccc(Oc2ccc(cc2Cl)C(F)(F)F)cc1)C(O)=O
OC(=O)C1CC1c1ccc(NCc2ccc(cc2)-c2ccccc2)cc1
OC(=O)C1CC1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
OC(=O)C1CC1c1ccc(cc1)C#Cc1cc(Cl)nc(Cl)c1
OC(=O)C1CCC(CC1)C1CCN(CC1)c1cc(OC(F)(F)F)ccc1F |(27.82,-18.05,;27.82,-16.51,;29.16,-15.74,;26.49,-15.74,;25.16,-16.51,;23.83,-15.74,;23.83,-14.21,;25.15,-13.42,;26.49,-14.2,;22.49,-13.44,;21.15,-14.22,;19.81,-13.45,;19.82,-11.91,;21.14,-11.14,;22.48,-11.9,;18.48,-11.14,;17.16,-11.91,;15.82,-11.14,;14.49,-11.92,;13.16,-11.16,;11.83,-11.93,;13.15,-9.62,;11.81,-10.38,;15.82,-9.6,;17.15,-8.83,;18.49,-9.6,;19.82,-8.83,)|
OC(=O)C1CCN(C1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
OC(=O)C1CCN(CC1)c1ccc(cc1)-c1cc(OC(F)(F)F)ccc1F
OC(=O)C1CN(C(=O)C1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
OC(=O)CC(C1CC1)c1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
OC(=O)CC(c1ccc(F)cc1)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1
OC(=O)CC(c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1)c1ccccn1
OC(=O)CC(c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
OC(=O)CC(c1ccccc1)c1ccc(OCCCC(F)(F)F)cc1
OC(=O)CC(c1ccccc1)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1
OC(=O)CC(c1cccs1)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1
OC(=O)CC(c1ccncc1)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1
OC(=O)CC(c1ccncc1)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1
OC(=O)CC(c1cnco1)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1
OC(=O)CC(c1nccs1)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1
OC(=O)CC1(COC1)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1
OC(=O)CC1(COC1)c1ccc(OC[C@H]2COc3ccc(cc3O2)-c2ccc(Cl)cc2)cc1 |r|
OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(Cl)cc(Cl)c1
OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(F)cc(Cl)c1F
OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(OC(F)(F)F)ccc1C#N
OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(OC(F)(F)F)ccc1Cl
OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(OC(F)(F)F)ccc1F
OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(SC(F)(F)F)cc(c1)C#N
OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(ccc1F)C(F)(F)F
OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(ccn1)C(F)(F)F
OC(=O)CC1CCC2(CC1)CCN(CC2)c1ccccc1Cl
OC(=O)CC1CCCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1
OC(=O)CC1CCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1
OC(=O)CC1CCN(C1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
OC(=O)CC1COc2cc(OCCCOc3ccc(cc3)-c3ccccc3)ccc12
OC(=O)CC1COc2cc(OCCCOc3cccc(Br)c3)ccc12
OC(=O)CC1COc2cc(OCCCOc3cccc(Cl)c3)ccc12
OC(=O)CC1COc2cc(OCCCOc3cccc(c3)-c3ccccc3)ccc12
OC(=O)CC1COc2cc(OCCCOc3ccccc3)ccc12
OC(=O)CC1COc2cc(OCCCOc3ccccc3F)ccc12
OC(=O)CC1COc2cc(OCCOc3ccccc3)ccc12
OC(=O)CC1COc2cc(OCc3ccc(s3)C(=O)N3CCN(CC3)c3ccc(F)cc3)ccc12
OC(=O)CC1COc2cc(OCc3cccc(c3)-c3ccc4sccc4c3)ccc12
OC(=O)CC1COc2cc(OCc3cccc(c3)-c3csc4ccccc34)ccc12
OC(=O)CCC1Cc2cc(ccc2O1)-c1cc(OC(F)(F)F)ccc1F
OC(=O)CCCCCN1C(=S)S\C(=C\c2cccc3ccccc23)C1=O
OC(=O)CCCCCN1C(=S)S\C(=C\c2cccs2)C1=O
OC(=O)CCCN1C(=S)S\C(=C\c2ccc(F)cc2)C1=O
OC(=O)CCCN1C(=S)S\C(=C\c2ccco2)C1=O
OC(=O)CCCN1C(=S)S\C(=C\c2cccs2)C1=O
OC(=O)CCCOc1c(F)cc(cc1F)-c1cc(OC(F)(F)F)ccc1F
OC(=O)CCCOc1c(F)cc(cc1F)-c1cc(OC2CCOCC2)cc(F)c1F
OC(=O)CCCOc1ccc(-c2noc3ccccc23)c(Cl)c1Cl
OC(=O)CCCOc1ccc(c(F)c1)-c1cc(OC(F)(F)F)ccc1Cl
OC(=O)CCCOc1ccc(cc1)-c1cc(OC(F)(F)F)ccc1Cl
OC(=O)CCCOc1ccc(cc1)-c1cc(OC(F)(F)F)ccc1F
OC(=O)CCCOc1ccc(cc1)-c1cc(OC2CC2)ccc1F
OC(=O)CCCOc1ccc(cc1)-c1cc(Oc2cccc(F)c2)ccc1Cl
OC(=O)CCCOc1ccc(cc1)-c1cc(Oc2cccc(F)c2)ccc1F
OC(=O)CCCOc1ccc(cc1)-c1cc(Oc2ccccc2)ccc1F
OC(=O)CCCOc1ccc(cc1)-c1cc(Oc2cccnc2)ccc1Cl
OC(=O)CCCOc1ccc(cc1)-c1cc(ccc1Cl)-[n+]1ccsc1
OC(=O)CCCOc1ccc(cc1)-c1cccc(OCc2ccccc2)c1
OC(=O)CCCOc1ccc(cc1)-c1cccc(Oc2ccccc2)c1
OC(=O)CCCOc1ccc(cc1)-c1ccccc1C(F)(F)F
OC(=O)CCCOc1ccc(cc1)-c1ccccc1OC(F)(F)F
OC(=O)CCCOc1ccc(cc1)-c1ccccc1Oc1ccccc1
OC(=O)CCCc1ccc(NCc2ccc(cc2)-c2ccccc2)cc1
OC(=O)CCCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
OC(=O)CCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1
OC(=O)CCCc1ccc(OCCN(c2nccs2)c2ccccc2)cc1
OC(=O)CC[C@@H]1CCc2cc(ccc2O1)-c1cc(OC(F)(F)F)ccc1F |r|
OC(=O)CC[C@H]1CCc2cc(ccc2O1)-c1cc(OC(F)(F)F)cc(Cl)c1F |r|
OC(=O)CC[C@H]1CCc2cc(ccc2O1)-c1cc(OC(F)(F)F)ccc1F |r|
OC(=O)CC[C@H]1CCc2cc(ccc2O1)-c1cc(OC2CCC2)cc(Cl)c1F |r|
OC(=O)CC[C@H]1CCc2cc(ccc2O1)-c1cc(OC2CCC2)cc(F)c1F |r|
OC(=O)CC[C@H]1CCc2cc(ccc2O1)-c1cc(OC2CCC2)ccc1F |r|
OC(=O)CC[C@H]1CCc2cc(ccc2O1)-c1cc(OC2CCC2)cnc1F |r|
OC(=O)CC[C@H]1CCc2cc(ccc2O1)-c1cc(OC2CCC2)ncc1F |r|
OC(=O)CC[C@H]1CCc2cc(ccc2O1)-c1nc(OC2CCC2)ccc1F |r|
OC(=O)CCc1c(F)cc(cc1F)C#Cc1ccccc1
OC(=O)CCc1cc(F)c(OCc2c(ccn2-c2ccc(Cl)cc2)C(F)(F)F)c(F)c1
OC(=O)CCc1cc(F)c(OCc2c(nsc2C(F)(F)F)-c2ccc(Cl)c(F)c2)c(F)c1
OC(=O)CCc1cc(F)c(OCc2c(nsc2C(F)(F)F)-c2ccc(Cl)cc2F)c(F)c1
OC(=O)CCc1cc2cc(ccc2o1)-c1cc(Cl)cc(OC2CCC2)c1
OC(=O)CCc1cc2cc(ccc2o1)-c1cc(OC(F)(F)F)ccc1Cl
OC(=O)CCc1cc2cc(ccc2o1)-c1cc(OC(F)(F)F)ccc1F
OC(=O)CCc1cc2cc(ccc2o1)-c1cc(ccc1F)C(=O)C1CC1
OC(=O)CCc1cc2cc(ccc2o1)-c1cccc(OC(F)(F)F)c1
OC(=O)CCc1cc2cc(ccc2o1)-c1cccc(OC2CCC2)c1
OC(=O)CCc1ccc(C#Cc2ccccc2)c(F)c1
OC(=O)CCc1ccc(COc2cc(F)ccc2Br)cc1
OC(=O)CCc1ccc(COc2cc(F)ccc2C#N)cc1
OC(=O)CCc1ccc(COc2cc(F)ccc2C(O)=O)cc1
OC(=O)CCc1ccc(NC(=O)c2nnc(CC(c3ccccc3)c3ccc(Cl)cc3)s2)cc1
OC(=O)CCc1ccc(NC(=O)c2nnc(CC(c3ccccc3)c3ccc4OCOc4c3)s2)cc1
OC(=O)CCc1ccc(NC(=O)c2nnc(CC(c3ccccc3)c3ccccc3F)s2)cc1
OC(=O)CCc1ccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)cc1
OC(=O)CCc1ccc(NC(=O)c2nnc(COc3ccc4CCCc4c3)s2)cc1
OC(=O)CCc1ccc(NC(=O)c2nnc(COc3cccc(Cl)c3)s2)cc1
OC(=O)CCc1ccc(NC(=O)c2nnc(COc3cccc(c3)C(F)(F)F)s2)cc1
OC(=O)CCc1ccc(NC(=O)c2nnc(Cc3ccc(Cl)cc3)s2)cc1
OC(=O)CCc1ccc(NC(=O)c2nnc(Cc3cccc(Cl)c3)s2)cc1
OC(=O)CCc1ccc(NC(=O)c2nnc(Cc3cccc(F)c3)s2)cc1
OC(=O)CCc1ccc(NC(=O)c2nnc(Cc3ccccc3)s2)cc1
OC(=O)CCc1ccc(NCC2COc3ccc(Cl)cc3O2)cc1F
OC(=O)CCc1ccc(NCc2cc(cnc2Cl)C(F)(F)F)cc1
OC(=O)CCc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1
OC(=O)CCc1ccc(NCc2ccc(Cl)s2)cc1
OC(=O)CCc1ccc(NCc2ccc(O)cc2)cc1
OC(=O)CCc1ccc(NCc2ccc(Oc3ccccc3)cc2)cc1
OC(=O)CCc1ccc(NCc2ccc(cc2)-c2ccccc2)cc1
OC(=O)CCc1ccc(NCc2ccc(cc2)C#N)cc1
OC(=O)CCc1ccc(NCc2ccc(cc2)C(F)(F)F)cc1
OC(=O)CCc1ccc(NCc2ccc(cc2)C(O)=O)cc1
OC(=O)CCc1ccc(NCc2ccc3OCOc3c2)cc1
OC(=O)CCc1ccc(NCc2ccc3ccccc3c2)cc1
OC(=O)CCc1ccc(NCc2cccc(Br)c2)cc1
OC(=O)CCc1ccc(NCc2cccc(F)c2)cc1
OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
OC(=O)CCc1ccc(NCc2cccc(c2)-c2ccccc2)cc1
OC(=O)CCc1ccc(NCc2cccc(c2)C(F)(F)F)cc1
OC(=O)CCc1ccc(NCc2ccccc2)cc1
OC(=O)CCc1ccc(NCc2ccccc2-c2ccccc2)cc1
OC(=O)CCc1ccc(NCc2ccccc2Cl)cc1
OC(=O)CCc1ccc(NCc2cccnc2)cc1
OC(=O)CCc1ccc(NCc2ncc[nH]2)cc1
OC(=O)CCc1ccc(OCC2COc3cc(Br)ccc3O2)cc1F
OC(=O)CCc1ccc(OCC2COc3ccc(Br)cc3O2)cc1F
OC(=O)CCc1ccc(OCC2COc3ccc(Cl)cc3O2)cc1F
OC(=O)CCc1ccc(OCCCCc2ccccc2)cc1
OC(=O)CCc1ccc(OCCCc2ccccc2)cc1
OC(=O)CCc1ccc(OCCc2ccccc2)cc1
OC(=O)CCc1ccc(OC[C@@H]2COc3ccc(cc3O2)-c2ccc(Cl)cc2)cc1F |r|
OC(=O)CCc1ccc(OC[C@H]2COc3ccc(cc3O2)-c2ccc(Cl)cc2)cc1F |r|
OC(=O)CCc1ccc(OCc2cc(Cl)ccc2-c2ccccc2)cc1
OC(=O)CCc1ccc(OCc2cc(F)ccc2-c2ccccc2)cc1
OC(=O)CCc1ccc(OCc2ccc(Br)cc2)cc1
OC(=O)CCc1ccc(OCc2ccc(CC(CCc3ccccn3)c3nc(cs3)-c3ccccc3)cc2)cc1
OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1Cl |c:23|
OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1F |c:23|
OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCO4)Oc3ccccn3)cc2)cc1
OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CCCCO4)CC3)cc2)cc1
OC(=O)CCc1ccc(OCc2ccc(Cl)cc2-c2ccccc2)cc1
OC(=O)CCc1ccc(OCc2ccc(Oc3ccccc3)cc2)cc1
OC(=O)CCc1ccc(OCc2ccc(cc2)-c2ccccc2)cc1
OC(=O)CCc1ccc(OCc2ccc(s2)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
OC(=O)CCc1ccc(OCc2cccc(Br)c2)cc1
OC(=O)CCc1ccc(OCc2cccc(OCCc3ccccc3)c2)cc1
OC(=O)CCc1ccc(OCc2cccc(OCc3ccccc3)c2)cc1
OC(=O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
OC(=O)CCc1ccc(OCc2cccc(c2)-c2ccccc2)cc1
OC(=O)CCc1ccc(OCc2cccc(c2)-c2ccccc2C(F)(F)F)s1
OC(=O)CCc1ccc(OCc2cccc(c2)-c2ccccc2Cl)cc1
OC(=O)CCc1ccc(OCc2cccc(c2)-c2ccccc2F)cc1
OC(=O)CCc1ccc(OCc2cccc(c2)-c2ccccn2)cc1
OC(=O)CCc1ccc(OCc2cccc(c2)-c2cccs2)cc1
OC(=O)CCc1ccc(OCc2cccc(c2)-c2ccncc2Cl)s1
OC(=O)CCc1ccc(OCc2cccc(c2)-c2nccs2)cc1
OC(=O)CCc1ccc(OCc2cccc(c2)C#N)cc1
OC(=O)CCc1ccc(OCc2cccc(c2)C(F)(F)F)cc1
OC(=O)CCc1ccc(OCc2cccc3ccccc23)cc1
OC(=O)CCc1ccc(OCc2ccccc2)cc1
OC(=O)CCc1ccc(OCc2ccccc2-c2ccc(Br)cc2)cc1
OC(=O)CCc1ccc(OCc2ccccc2-c2ccc(Cl)cc2)cc1
OC(=O)CCc1ccc(OCc2ccccc2-c2ccc(F)cc2)cc1
OC(=O)CCc1ccc(OCc2ccccc2-c2ccc(OC(F)(F)F)cc2)cc1
OC(=O)CCc1ccc(OCc2ccccc2-c2ccc(cc2)C(F)(F)F)cc1
OC(=O)CCc1ccc(OCc2ccccc2-c2ccccc2)cc1
OC(=O)CCc1ccc(OCc2ccccc2Br)cc1
OC(=O)CCc1ccc(OCc2ccccc2C#N)cc1
OC(=O)CCc1ccc(OCc2ccccc2Oc2ccccc2)cc1
OC(=O)CCc1ccc(OCc2ccccc2SC(F)(F)F)c(Cl)c1
OC(=O)CCc1ccc(OCc2ccccc2SC(F)(F)F)c2ccccc12
OC(=O)CCc1ccc(OCc2ccccc2SC(F)(F)F)cc1
OC(=O)CCc1ccc(OCc2coc(n2)-c2cccc(Cl)c2)cc1
OC(=O)CCc1ccc(OCc2coc(n2)-c2cccc(F)c2)cc1
OC(=O)CCc1ccc(OCc2coc(n2)-c2ccccc2)cc1
OC(=O)CCc1ccc(OCc2nc(no2)-c2ccc(Cl)cc2)cc1
OC(=O)CCc1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1
OC(=O)CCc1ccc(OCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
OC(=O)CCc1ccc(OCc2nc(no2)-c2cccc(Br)c2)cc1
OC(=O)CCc1ccc(OCc2nc(no2)-c2cccc(c2)C(F)(F)F)c(Cl)c1
OC(=O)CCc1ccc(OCc2nc(no2)-c2cccc(c2)C(F)(F)F)cc1
OC(=O)CCc1ccc(OCc2nc(no2)-c2ccccc2)c(Cl)c1
OC(=O)CCc1ccc(OCc2nc(no2)-c2ccccc2)cc1
OC(=O)CCc1ccc(OCc2nc(no2)-c2ccccc2Cl)cc1
OC(=O)CCc1ccc(OCc2nc(no2)-c2ccco2)cc1
OC(=O)CCc1ccc(OCc2nc(no2)-c2cccs2)cc1
OC(=O)CCc1ccc(OCc2ncc(o2)-c2cccc(Cl)c2)cc1
OC(=O)CCc1ccc(OCc2ncc(o2)-c2cccc(F)c2)cc1
OC(=O)CCc1ccc(OCc2ncc(o2)-c2ccccc2)cc1
OC(=O)CCc1ccc(OCc2nnc(s2)C(=O)Nc2ccc(Cl)cc2)cc1
OC(=O)CCc1ccc(OCc2nnc(s2)C(=O)Nc2ccc(F)c(F)c2)cc1
OC(=O)CCc1ccc(OCc2nnc(s2)C(=O)Nc2ccc(F)cc2)cc1
OC(=O)CCc1ccc(OCc2nnc(s2)C(=O)Nc2cccc(Cl)c2)cc1
OC(=O)CCc1ccc(OCc2nnc(s2)C(=O)Nc2cccc(F)c2)cc1
OC(=O)CCc1ccc(OCc2nnc(s2)C(=O)Nc2ccccc2)cc1
OC(=O)CCc1ccc(OCc2nnc(s2)C(=O)Nc2ccccc2F)cc1
OC(=O)CCc1ccc(OCc2noc(n2)-c2ccccc2)cc1
OC(=O)CCc1ccc(Oc2ccc(Cl)cc2Cl)cc1
OC(=O)CCc1ccc(Oc2ccc(cc2Cl)C(F)(F)F)cc1
OC(=O)CCc1ccc(Oc2ccccc2)cc1
OC(=O)CCc1ccc(cc1)-c1cc(C#N)c2cnn(-c3ccccn3)c2c1
OC(=O)CCc1ccc(cc1)-c1cc(F)c2cnn(-c3ccccn3)c2c1
OC(=O)CCc1ccc(cc1)-c1ccc2c(OCc3ccccc3)nn(-c3ccccn3)c2c1
OC(=O)CCc1ccc(cc1)-c1ccc2c(nn(-c3ccccn3)c2c1)C#N
OC(=O)CCc1ccc(cc1)-c1ccc2cnn(-c3ccccn3)c2c1
OC(=O)CCc1ccc(cc1)C#C
OC(=O)CCc1ccc(cc1)C#CC1(O)CCCCC1
OC(=O)CCc1ccc(cc1)C#CC1=CCCCC1 |t:14|
OC(=O)CCc1ccc(cc1)C#CC1CC1
OC(=O)CCc1ccc(cc1)C#CC1CCCC1
OC(=O)CCc1ccc(cc1)C#CC1CCCCC1
OC(=O)CCc1ccc(cc1)C#CCCc1ccccc1
OC(=O)CCc1ccc(cc1)C#CCc1ccccc1
OC(=O)CCc1ccc(cc1)C#Cc1cc(Cl)nc(Cl)c1
OC(=O)CCc1ccc(cc1)C#Cc1ccc(Cl)nc1
OC(=O)CCc1ccc(cc1)C#Cc1cccc(C=O)c1
OC(=O)CCc1ccc(cc1)C#Cc1cccc(\C=C\C=C)c1\C=C\C=C
OC(=O)CCc1ccc(cc1)C#Cc1cccc(c1)C#C
OC(=O)CCc1ccc(cc1)C#Cc1cccc(c1)C#N
OC(=O)CCc1ccc(cc1)C#Cc1cccc(c1)C(F)(F)F
OC(=O)CCc1ccc(cc1)C#Cc1cccc(c1)[N+]([O-])=O
OC(=O)CCc1ccc(cc1)C#Cc1ccccc1
OC(=O)CCc1ccc(cc1)C#Cc1ccccc1CC#N
OC(=O)CCc1ccc(cc1)C#Cc1ccccn1
OC(=O)CCc1ccc(cc1)C#Cc1cccnc1
OC(=O)CCc1ccc(cc1)C#Cc1cccnc1Cl
OC(=O)CCc1ccc(cc1)C#Cc1cccs1
OC(=O)CCc1ccc(cc1)C#Cc1ccnc(Cl)c1
OC(=O)CCc1ccc(cc1)C#Cc1ccnc(Cl)c1CC=C
OC(=O)CCc1ccc(cc1)C#Cc1ccnc(Cl)c1Cc1ccccc1
OC(=O)CCc1ccc(cc1)C#Cc1ccnc(Cl)n1
OC(=O)CCc1ccc(cc1)C#Cc1ccnc(F)c1
OC(=O)CCc1ccc(cc1)C#Cc1ccnc(Oc2ccccc2)c1
OC(=O)CCc1ccc(cc1)C#Cc1ccnc(c1)-c1ccccc1
OC(=O)CCc1ccc(cc1)C#Cc1ccnc2cc(Cl)ccc12
OC(=O)CCc1ccc(cc1)C#Cc1ccncc1
OC(=O)CCc1ccc(cc1)C#Cc1cncs1
OC(=O)CCc1ccc(cc1)C#Cc1ncccc1[N+]([O-])=O
OC(=O)CCc1ccc(cc1F)C#Cc1cc(Cl)cc(Cl)c1
OC(=O)CCc1ccc(cc1F)C#Cc1cc(F)ccc1C(F)F
OC(=O)CCc1ccc(cc1F)C#Cc1cccc(CC#N)c1
OC(=O)CCc1ccc(cc1F)C#Cc1cccc(OCCOCCNc2ccc([N+]([O-])=O)c3nonc23)c1
OC(=O)CCc1ccc(cc1F)C#Cc1ccccc1
OC(=O)CCc1ccc(cc1F)C#Cc1ccccc1CC#N
OC(=O)CCc1ccc(cc1F)C#Cc1ccccc1CCC#N
OC(=O)CCc1ccc(cn1)C#Cc1ccccc1
OC(=O)CCc1ccc(nc1)C#Cc1ccccc1
OC(=O)CCc1ccc(s1)C#Cc1ccccc1CC#N
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1c(Cl)cccc1Cl
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1cc(Cl)ccc1Cl
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1ccc(Cl)cc1
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1ccc(Cl)cc1C(F)(F)F
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1ccc(Cl)cc1Cl
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1ccc(Cl)cc1F
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1cccc(Br)c1
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1cccc(Cl)c1
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1cccc(Cl)c1Cl
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1cccc(Cl)c1F
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1ccccc1
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1ccccc1Br
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1ccccc1C(F)(F)F
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1ccccc1Cl
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1ccccc1F
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1ccccc1OC(F)(F)F
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1ccncc1Cl
OC(=O)CCc1ccc2oc(Nc3c(Cl)c(Cl)cc(Cl)c3Cl)nc2c1
OC(=O)CCc1ccc2oc(cc2c1)-c1ccc(cc1)C(F)(F)F
OC(=O)CCc1ccc2oc(cc2c1)-c1cccc(c1)-c1c(Cl)cccc1Cl
OC(=O)CCc1cccc(NCc2ccc(cc2)-c2ccccc2)c1
OC(=O)CCc1cccc(NCc2cccc(Oc3ccccc3)c2)c1
OC(=O)CCc1nnc(s1)C(=O)Nc1ccc(OCc2ccccc2)cc1
OC(=O)CCc1nnc(s1)C(=O)Nc1cccc(c1)-c1ccc(F)cc1
OC(=O)CCc1nnc(s1)C(=O)Nc1cccc(c1)-c1cccc(Cl)c1
OC(=O)CCc1nnc(s1)C(=O)Nc1cccc(c1)-c1ccco1
OC(=O)COc1ccc(COc2cccc(c2)-c2nc3cc(Cl)ccc3o2)cc1F
OC(=O)COc1ccc(COc2cccc(c2)-c2nc3ccccc3s2)cc1F
OC(=O)COc1ccc(NC(=O)c2nnc(s2)C(=O)Nc2ccc(Br)cc2)cc1
OC(=O)COc1ccc(NC(=O)c2nnc(s2)C(=O)Nc2ccc(Cl)cc2)cc1
OC(=O)COc1ccc(NC(=O)c2nnc(s2)C(=O)Nc2ccc(F)c(F)c2)cc1
OC(=O)COc1ccc(NC(=O)c2nnc(s2)C(=O)Nc2ccc(F)cc2)cc1
OC(=O)COc1ccc(NC(=O)c2nnc(s2)C(=O)Nc2ccc(F)cc2F)cc1
OC(=O)COc1ccc(NC(=O)c2nnc(s2)C(=O)Nc2ccccc2)cc1
OC(=O)COc1ccc(NC(=O)c2nnc(s2)C(=O)Nc2ccccc2F)cc1
OC(=O)COc1ccc(NCc2ccc(Cl)c(c2)-c2ccccc2)cc1F
OC(=O)COc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
OC(=O)COc1ccc(NCc2cccc(c2)-c2ccccc2)cc1F
OC(=O)COc1ccc(NCc2cccc(c2)-c2ccccc2C#N)cc1F
OC(=O)COc1ccc(NCc2cccc(c2)-c2ccccc2C(F)(F)F)cc1F
OC(=O)COc1ccc(NCc2cccc(c2)-c2ccccc2Cl)cc1F
OC(=O)COc1ccc(NCc2cccc(c2)-c2ccccc2F)cc1F
OC(=O)COc1ccc(OCCCOc2cccc(Cl)c2)cc1F
OC(=O)COc1ccc(OCc2cccc(c2)-c2ccc(OCC3CC3)cc2)cc1F
OC(=O)COc1ccc(OCc2cccc(c2)-c2ccc3cc(OCC4CC4)ccc3c2)cc1F
OC(=O)COc1ccc(OCc2cccc(c2)-c2ccc3ccoc3c2)cc1F
OC(=O)COc1ccc(OCc2cccc(c2)-c2ccc3ccsc3c2)cc1F
OC(=O)COc1ccc(OCc2cccc(c2)-c2ccc3ncoc3c2)cc1F
OC(=O)COc1ccc(OCc2cccc(c2)-c2cccc(OCC3CC3)c2)cc1F
OC(=O)COc1ccc(OCc2ccccc2SC(F)(F)F)cc1
OC(=O)COc1ccc(OCc2csc(n2)-c2ccccc2)cc1F
OC(=O)COc1ccc(OCc2nc(cs2)-c2ccccc2)cc1F
OC(=O)COc1ccc(OCc2ncc(o2)-c2ccccc2)cc1F
OC(=O)COc1ccc(OCc2ncc(s2)-c2ccccc2)cc1F
OC(=O)COc1ccc(OCc2nnc(o2)-c2ccccc2)cc1F
OC(=O)COc1ccc(OCc2nnc(s2)-c2ccccc2)cc1F
OC(=O)COc1ccc(cc1)C#Cc1cccc(O)c1
OC(=O)COc1ccc(cc1)C#Cc1ccccc1
OC(=O)CS(=O)(=O)c1ccc(OCCCOc2cccc(Cl)c2)cc1
OC(=O)CS(=O)(=O)c1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
OC(=O)CS(=O)(=O)c1ccc(OCc2cccc(c2)-c2ccccc2)cc1
OC(=O)CS(=O)(=O)c1ccc(OCc2cccc(c2)-c2ccccc2C#N)cc1
OC(=O)CS(=O)(=O)c1ccc(OCc2cccc(c2)-c2ccccc2C(F)(F)F)cc1
OC(=O)CS(=O)(=O)c1ccc(OCc2cccc(c2)-c2ccccc2Cl)cc1
OC(=O)CS(=O)(=O)c1ccc(OCc2cccc(c2)-c2ccccc2F)cc1
OC(=O)CS(=O)(=O)c1cccc(OCc2ccc(cc2)-c2ccccc2)c1
OC(=O)CSc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
OC(=O)CSc1ccccc1
OC(=O)CSc1nnc(SCc2cccc3ccccc23)s1
OC(=O)C[C@@H](C1CC1)c1ccc2CCC(Oc2c1)c1ccc(cc1)-c1cccc(O)c1 |r|
OC(=O)C[C@@H](C1CC1)c1ccc2CCC(Oc2c1)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1 |r|
OC(=O)C[C@@H](C1CC1)c1ccc2CCC(Oc2c1)c1ccc(cc1)-c1ccccc1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OC2CC3(C2)CN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)C3)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OC2CC3CN(Cc4cc(ccc4C(F)(F)F)C(F)(F)F)CC3C2)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OC2CCCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OC2CCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OC2CCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)CC2)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OC2CCN(Cc3cc(ccc3Cl)C(F)(F)F)C2)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OC2CCN(Cc3cccc(c3)C(F)(F)F)C2)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OCC2(F)CCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OCC2(F)CN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OCC2CCCCN2Cc2cc(ccc2C(F)(F)F)C(F)(F)F)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OCC2CCCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OCC2CCN(C2)c2cc(ccc2C(F)(F)F)C(F)(F)F)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OCC2CCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OCC2CCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)CC2)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OCC2CN(Cc3c(F)cccc3C(F)(F)F)C2)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OCC2CN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OCC2CN(Cc3ccccc3OC(F)(F)F)C2)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OCCC2CCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(OCCC2CN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1 |r|
OC(=O)C[C@@H](C1CC1)c1cccc(O[C@H]2CC3(C2)CCN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)C3)c1 |r,wD:14.14,4.8,(9.79,10.38,;8.45,11.15,;8.45,12.69,;7.12,10.38,;5.78,11.15,;5.78,12.69,;6.55,14.02,;5.01,14.02,;4.45,10.38,;4.45,8.84,;3.12,8.07,;1.78,8.84,;1.78,10.38,;.45,11.15,;-.88,10.38,;-2.37,10.77,;-2.77,9.29,;-1.28,8.89,;-4.24,9.76,;-5.14,8.52,;-4.24,7.27,;-4.63,5.78,;-6.12,5.39,;-7.21,6.47,;-8.7,6.08,;-9.1,4.59,;-8.01,3.5,;-6.47,3.8,;-5.39,2.69,;-4.32,1.59,;-4.29,3.77,;-6.5,1.62,;-9.79,7.16,;-11.27,6.77,;-9.39,8.65,;-10.18,5.68,;-2.77,7.75,;3.12,11.15,)|
OC(=O)C[C@@H](C1CC1)c1cccc(O[C@H]2CC3(C2)CCN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)C3)c1 |r,wU:14.14,wD:4.8,(9.79,10.38,;8.45,11.15,;8.45,12.69,;7.12,10.38,;5.78,11.15,;5.78,12.69,;6.55,14.02,;5.01,14.02,;4.45,10.38,;4.45,8.84,;3.12,8.07,;1.78,8.84,;1.78,10.38,;.45,11.15,;-.89,10.38,;-1.28,8.89,;-2.77,9.29,;-2.37,10.78,;-4.24,9.76,;-5.14,8.52,;-4.24,7.27,;-4.63,5.79,;-6.12,5.39,;-7.21,6.48,;-8.7,6.08,;-9.1,4.59,;-8.01,3.5,;-6.47,3.8,;-5.39,2.7,;-4.32,1.59,;-4.29,3.77,;-6.5,1.62,;-9.79,7.17,;-11.27,6.77,;-9.39,8.65,;-10.18,5.68,;-2.77,7.75,;3.12,11.15,)|
OC(=O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |r|
OC(=O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cn1 |r|
OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 |r|
OC(=O)C[C@@H]1CCCN1c1ccc(Oc2cccc(Cl)c2)cc1 |r|
OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2)cc1 |r|
OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2-c2ccccc2)cc1 |r|
OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2F)cc1 |r|
OC(=O)C[C@@H]1CCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |r|
OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccccc3)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(OCCCOc3cccc(Cl)c3)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(OCc3ccc4nc(cn4c3)-c3ccc(cc3)C(F)(F)F)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(OCc3cccc(c3)-c3cccc4CN(CCc34)C(=O)c3ccccc3)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3cc(OC4CCOCC4)ccc3F)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(CC#N)cc3)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(CC4CCOCC4)cc3)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(CCC#N)cc3)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(CN4CCCC4)cc3)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(CN4CCOCC4)cc3)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(OC4CCOCC4)cc3F)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(OCC4(O)CCOCC4)c(F)c3)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(cc3)-c3nnn[nH]3)ccc12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;$|
OC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(cc3)-n3ccnc3)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(cc3)C(=O)N3CCCC3)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc(cc3)N3CCCC3=O)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc4CCC(=O)Nc4c3)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc4OCCOc4c3)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc4OCCc4c3)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccc4OCOc4c3)ccc12 |r|
OC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3c(F)ccc4Oc3ccnc(O[C@H]4CCOC4)c3)ccc12 |r|
OC(=O)C[C@@H]1COc2cc3OC(COc3cc12)c1cc(F)cc(Br)c1 |r|
OC(=O)C[C@@H]1COc2cc3OC(COc3cc12)c1cc(F)cc(c1)C(F)(F)F |r|
OC(=O)C[C@@H]1COc2cc3OC(COc3cc12)c1ccc(Br)cc1 |r|
OC(=O)C[C@@H]1COc2cc3OC(COc3cc12)c1cccc(c1)-c1ccc(F)cc1Cl |r|
OC(=O)C[C@@H]1COc2cc3OC(COc3cc12)c1cccc(c1)-c1ccccc1 |r|
OC(=O)C[C@@H]1COc2cc3OC(COc3cc12)c1cccc(c1)-c1ccccc1C(F)(F)F |r|
OC(=O)C[C@@H]1COc2cc3OC(COc3cc12)c1cccc(c1)-c1ccccc1F |r|
OC(=O)C[C@@H]1COc2cc3OC(COc3cc12)c1cccc(c1)C1CC1 |r|
OC(=O)C[C@@H]1COc2cc3O[C@@H](COc3cc12)c1ccc(Cl)c(Cl)c1 |r|
OC(=O)C[C@@H]1COc2cc3O[C@@H](COc3cc12)c1cccc(Br)c1 |r|
OC(=O)C[C@@H]1COc2cc3O[C@@H](COc3cc12)c1cccc(Cl)c1 |r|
OC(=O)C[C@@H]1COc2cc3O[C@@H](COc3cc12)c1cccc(c1)-c1ccccc1Cl |r|
OC(=O)C[C@@H]1COc2cc3O[C@@H](COc3cc12)c1cccc(c1)C(F)(F)F |r|
OC(=O)C[C@@H]1COc2cc3O[C@H](COc3cc12)c1ccc(Cl)c(Cl)c1 |r|
OC(=O)C[C@@H]1COc2cc3O[C@H](COc3cc12)c1cccc(Br)c1 |r|
OC(=O)C[C@@H]1COc2cc3O[C@H](COc3cc12)c1cccc(Cl)c1 |r|
OC(=O)C[C@@H]1COc2cc3O[C@H](COc3cc12)c1cccc(c1)-c1ccccc1Cl |r|
OC(=O)C[C@@H]1COc2cc3O[C@H](COc3cc12)c1cccc(c1)C(F)(F)F |r|
OC(=O)C[C@@H]1C[C@@H](CN1c1ccc(Oc2ccccc2C(F)(F)F)cc1)C(F)(F)F |r|
OC(=O)C[C@@H]1C[C@@H](CN1c1ccc(Oc2ccccc2OC(F)(F)F)cc1)C(F)(F)F |r|
OC(=O)C[C@H](c1ccon1)c1ccc(OCc2ccc3nc(nn3c2)-c2ccccc2)cc1 |r|
OC(=O)C[C@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |r|
OC(=O)C[C@H]1CCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |r|
OC(=O)Cc1ccc(NCc2ccc(cc2)-c2ccccc2)cc1
OC(=O)Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
OC(=O)Cc1ccc(OCc2nc(no2)-c2cccc(Cl)c2)cc1
OC(=O)[C@@H]1C[C@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
OC(=O)[C@H]1C[C@@H]1c1ccc(NCc2cc(c(F)cc2F)-c2ccc(O)c(Cl)c2)cn1 |r|
OC(=O)[C@H]1C[C@@H]1c1ccc(NCc2cc(ccc2F)-c2c(Cl)cccc2Cl)cn1 |r|
OC(=O)[C@H]1C[C@@H]1c1ccc(NCc2cc(ccc2F)-c2c(F)cc(F)cc2F)cn1 |r|
OC(=O)[C@H]1C[C@@H]1c1ccc(NCc2cc(ccc2F)-c2c(F)cc(OC3CC3)cc2F)cn1 |r|
OC(=O)[C@H]1C[C@@H]1c1ccc(NCc2cc(ccc2F)-c2c(F)cccc2F)cn1 |r|
OC(=O)[C@H]1C[C@@H]1c1ccc(NCc2cc(ccc2F)-c2c(cccc2C#N)C#N)cn1 |r|
OC(=O)[C@H]1C[C@@H]1c1ccc(NCc2cc(ccc2F)-c2ccc(cc2)-c2cnco2)cn1 |r|
OC(=O)[C@H]1C[C@@H]1c1ccc(NCc2cc(ccc2F)-c2ccccc2C(F)(F)F)cn1 |r|
OC(=O)[C@H]1C[C@@H]1c1ccc(NCc2cc(ccc2F)-c2ccccc2C2(CC2)C#N)cn1 |r|
OC(=O)[C@H]1C[C@@H]1c1ccc(NCc2ccc(c(c2)-c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cn1 |r|
OC(=O)[C@H]1C[C@@H]1c1ccc(NCc2ccc(c(c2)-c2ccc(OCC3CC3)cc2)C(F)(F)F)cn1 |r|
OC(=O)[C@H]1C[C@@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
OC(=O)[C@H]1C[C@@H]1c1ccc(N[C@@H]2CCc3c2c(F)ccc3-c2c(Cl)cccc2Cl)cn1 |r,wU:5.6,11.11,wD:3.2,(7.82,1.23,;6.49,2,;6.49,3.54,;5.15,1.23,;5.15,2.77,;3.82,2,;2.49,1.23,;1.15,2,;-.18,1.23,;-.18,-.31,;-1.51,-1.08,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-4.25,-.93,;-4.73,-2.4,;-3.7,-3.54,;-6.24,-2.72,;-7.27,-1.57,;-6.79,-.11,;-7.82,1.04,;-7.35,2.5,;-5.84,2.82,;-8.38,3.64,;-9.88,3.32,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;1.15,-1.08,;2.49,-.31,)|
OC(=O)[C@H]1C[C@@H]1c1ccc(N[C@@H]2CCc3c2c(F)ccc3-c2ccccc2C(F)(F)F)cn1 |r|
OC(=O)[C@H]1C[C@@H]1c1ccc(N[C@@H]2CCc3c2c(F)ccc3-c2ccccc2C2(CC2)C#N)cn1 |r|
OC(=O)[C@H]1C[C@@H]1c1cnc(N[C@@H]2CCc3c2c(F)ccc3-c2c(Cl)cccc2Cl)cn1 |r,wU:5.6,11.11,wD:3.2,(11.66,-1.36,;10.33,-.59,;10.33,.95,;8.99,-1.36,;8.99,.18,;7.66,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;3.66,-2.9,;2.32,-3.67,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;-.4,-3.53,;-.88,-4.99,;.15,-6.13,;-2.38,-5.31,;-3.42,-4.17,;-2.94,-2.7,;-3.97,-1.56,;-5.48,-1.88,;-5.95,-3.34,;-6.51,-.73,;-6.03,.73,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;3.66,-1.36,;4.99,-.59,)|
OC(=O)[C@H]1C[C@@H]1c1cnc(N[C@@H]2CCc3c2c(F)ccc3-c2c(F)cc(F)cc2F)cn1 |r,wU:5.6,11.11,wD:3.2,(11.66,-1.36,;10.33,-.59,;10.33,.95,;8.99,-1.36,;8.99,.18,;7.66,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;3.66,-2.9,;2.32,-3.67,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;-.4,-3.53,;-.88,-4.99,;.15,-6.13,;-2.38,-5.31,;-3.42,-4.17,;-2.94,-2.7,;-3.97,-1.56,;-5.48,-1.88,;-5.95,-3.34,;-6.51,-.73,;-6.03,.73,;-7.06,1.88,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;3.66,-1.36,;4.99,-.59,)|
OC(=O)[C@H]1C[C@@H]1c1cnc(N[C@@H]2CCc3c2c(F)ccc3-c2c(F)cc(OC3CC3)cc2F)cn1 |r,wU:5.6,11.11,wD:3.2,(11.66,-1.36,;10.33,-.59,;10.33,.95,;8.99,-1.36,;8.99,.18,;7.66,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;3.66,-2.9,;2.32,-3.67,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;-.4,-3.53,;-.88,-4.99,;.15,-6.13,;-2.38,-5.31,;-3.42,-4.17,;-2.94,-2.7,;-3.97,-1.56,;-5.48,-1.88,;-5.95,-3.34,;-6.51,-.73,;-6.03,.73,;-7.06,1.88,;-8.57,1.56,;-9.97,2.18,;-9.6,.41,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;3.66,-1.36,;4.99,-.59,)|
OC(=O)[C@H]1C[C@@H]1c1cnc(N[C@@H]2CCc3c2c(F)ccc3-c2c(F)cccc2F)cn1 |r,wU:5.6,11.11,wD:3.2,(11.66,-1.36,;10.33,-.59,;10.33,.95,;8.99,-1.36,;8.99,.18,;7.66,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;3.66,-2.9,;2.32,-3.67,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;-.4,-3.53,;-.88,-4.99,;.15,-6.13,;-2.38,-5.31,;-3.42,-4.17,;-2.94,-2.7,;-3.97,-1.56,;-5.48,-1.88,;-5.95,-3.34,;-6.51,-.73,;-6.03,.73,;-4.52,1.05,;-3.49,-.09,;-1.99,.23,;3.66,-1.36,;4.99,-.59,)|
OC(=O)[C@H]1C[C@@H]1c1cnc(N[C@@H]2CCc3c2c(F)ccc3-c2c(cccc2C#C)C#C)cn1 |r,wU:5.6,11.11,wD:3.2,(11.66,-1.36,;10.33,-.59,;10.33,.95,;8.99,-1.36,;8.99,.18,;7.66,-.59,;6.32,-1.36,;6.32,-2.9,;4.99,-3.67,;3.66,-2.9,;2.32,-3.67,;1,-2.9,;.84,-1.37,;-.66,-1.05,;-1.43,-2.38,;-.4,-3.53,;-.88,-4.99,;.15,-6.13,;-2.38,-5.31,;-3.42,-4.17,;-2.94,-2.7,;-3.97,-1.56,;-3.49,-.09,;-4.52,1.05,;-6.03,.73,;-6.51,-.73,;-5.48,-1.88,;-5.95,-3.34,;-6.27,-4.85,;-1.99,.23,;-.48,.55,;3.66,-1.36,;4.99,-.59,)|
OC(=O)[C@H]1C[C@@H]1c1cnc(N[C@@H]2CCc3c2c(F)ccc3-c2ccc(cc2)-c2cnco2)cn1 |r|
OC(=O)[C@H]1C[C@@H]1c1cnc(N[C@@H]2CCc3c2c(F)ccc3-c2ccccc2C(F)(F)F)cn1 |r|
OC(=O)[C@H]1C[C@@H]1c1cnc(N[C@@H]2CCc3c2c(F)ccc3-c2ccccc2C2(CC2)C#N)cn1 |r|
OC(=O)[C@H]1[C@@H](N(CC2CC2)C(=O)c2ccccc12)c1ccc(Oc2ccccc2)cc1 |r|
OC(=O)[C@H]1[C@@H]2Oc3cc(Oc4ccc(cc4Cl)C(F)(F)F)ccc3[C@H]12 |r|
OC(=O)\C=C\c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
OC(=O)c1cc2cc(ccc2o1)-c1cc(OC(F)(F)F)ccc1F
OC(=O)c1ccc(NC(=O)c2ccc(cc2)C(=O)c2ccccc2)cc1
OC(=O)c1ccc(NCc2ccc3OCOc3c2)cc1
OC(=O)c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
OC(=O)c1ccc(cc1)C1CCN(CC1)c1cc(OC(F)(F)F)ccc1F
OC(=O)c1cccc(NCc2ccc(OCC=C)cc2)c1
OC(=O)c1cccc(NCc2cccc(OCc3ccccc3)c2)c1
OCc1cc(CCC(O)=O)ccc1OCc1ccccc1SC(F)(F)F
OCc1cccc(c1)C#Cc1ccc(CCC(O)=O)cc1
ONC(=O)[C@H]1C[C@@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Oc1[nH]c(=O)oc1Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1
Oc1[nH]c(=O)sc1Cc1ccc(CCc2ccccc2)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Cc2ccccc2)cc1
Oc1[nH]c(=O)sc1Cc1ccc(OCc2ccccc2)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Oc2cc(ccn2)C(F)(F)F)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Oc2cc3ccccc3cn2)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccc(Cl)cc2)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1C(F)(F)F
Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccc(Cl)cn2)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccc(F)cc2)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccc(cc2Cl)C(F)(F)F)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Oc2cccc(Cl)c2)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Oc2cccc(n2)C(F)(F)F)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Oc2cccc3ccccc23)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccccc2)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccccc2Cl)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Oc2ncc(Cl)cc2Cl)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Oc2ncc(Cl)cc2Cl)cc1Cl
Oc1[nH]c(=O)sc1Cc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)c2ccccc12
Oc1[nH]c(=O)sc1Cc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1Cl
Oc1[nH]c(=O)sc1Cc1ccc(Oc2ncccc2C(F)(F)F)cc1
Oc1[nH]c(=O)sc1Cc1ccc(Sc2ccccc2)cc1
Oc1[nH]c(=O)sc1Cc1ccc(\C=C\c2ccccc2)cc1
Oc1[nH]c(=O)sc1Cc1ccc(cc1)-c1ccccc1
Oc1[nH]c(=O)sc1Cc1ccc(cc1)C(=O)c1ccccc1
Oc1[nH]c(=O)sc1Cc1cccc(Oc2ccccc2)c1
Oc1[nH]c(=O)sc1Cc1ccccc1Oc1ccccc1
[#6]-[#8]-c1cc(c(F)cn1)-c1ncc(-[#6]-[#8]-c2cccc(c2)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6]-2-[#6]-[#6]-2)nc1\[#6]=[#6](/[#6])-[#6] |r|
[#6]-[#8]-c1ccc(-[#6]-[#8]-c2ccc(cc2)-[#6](-[#6]-[#6](-[#8])=O)\[#6]=[#6](\[#6])-[#6])cc1
[#6]-[#8]-c1ccc(-[#6]-[#8]-c2ccc(cc2)-[#6](\[#6]-[#6](-[#8])=O)=[#6](\[#6])-[#6])cc1
[#6]-[#8]-c1ccc(F)c(c1)-c1ncc(-[#6]-[#8]-c2cccc(c2)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6]-2-[#6]-[#6]-2)nc1\[#6]=[#6](\[#6])-[#6] |r|
[#6]\[#6](-[#6])=[#6](\[#6])C#Cc1ccc(-[#6]-[#6]-[#6](-[#8])=O)cc1
[2H]C([2H])(Cc1ccc(OCCCOc2cccc(Cl)c2)cc1)C(O)=O
[2H]C([2H])(Cc1ccc(OCc2cccc(c2)-c2c(C)noc2C)cc1)C(O)=O
[2H]C([2H])(Cc1ccc(OCc2sc(nc2C)-c2ccc(F)cc2)cc1)C(O)=O
[2H]C([2H])(Cc1ccc(OCc2sc(nc2C)-c2ccccc2)cc1)C(O)=O
[Ca++].CC#C[C@@H](CC([O-])=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)C)c2)cc1.CC#C[C@@H](CC([O-])=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)C)c2)cc1 |r|
[H][C@@]1(C[C@]1([H])[C@@]1([H])CCc2cc(ccc2O1)-c1cc(OC(F)(F)F)ccc1F)C(O)=O |r|
[H][C@@]12Cc3cc(OCc4cc(ccc4F)-c4c(C)cc(OCCC(C)O)cc4C)ncc3[C@]1([H])C2C(O)=O |r|
[H][C@@]12Cc3cc(OCc4cccc(c4)-c4c(C)cc(OCCCS(C)(=O)=O)cc4C)ncc3[C@]1([H])[C@H]2C(O)=O
[H][C@]1(C[C@@]1([H])[C@@]1([H])CCc2cc(ccc2O1)-c1cc(OC(F)(F)F)ccc1F)C(O)=O |r|
[H][C@]1(C[C@@]1([H])[C@@]1([H])CCc2cc(ccc2O1)-c1cc(OC2CCC2)cc(OC)c1F)C(O)=O |r|
[H][C@]1(C[C@@]1([H])[C@@]1([H])CCc2cc(ccc2O1)-c1cc(O[C@H]2C[C@@H](C2)OC)cc(F)c1F)C(O)=O |r,wU:5.6,1.0,20.22,wD:3.4,22.27,(25.35,-14.1,;25.76,-15.6,;25.75,-17.14,;24.43,-16.36,;24.41,-17.9,;23.08,-15.59,;22.96,-17.12,;23.09,-14.03,;21.74,-13.25,;20.4,-14.03,;19.07,-13.27,;17.74,-14.04,;17.73,-15.59,;19.06,-16.36,;20.39,-15.59,;21.74,-16.36,;16.4,-13.27,;15.07,-14.04,;13.74,-13.27,;12.4,-14.05,;11.07,-13.29,;9.59,-13.69,;9.19,-12.21,;10.67,-11.8,;7.86,-11.45,;7.86,-9.92,;13.73,-11.73,;15.07,-10.95,;15.07,-9.43,;16.41,-11.72,;17.74,-10.95,;27.1,-16.37,;27.09,-17.91,;28.43,-15.6,)|
[H][C@]1(C[C@@]1([H])[C@@]1([H])CCc2cc(ccc2O1)-c1cc(O[C@H]2C[C@@H](C2)OC)cc(OC)c1F)C(O)=O |r,wU:5.6,1.0,20.22,wD:3.4,22.27,(25.35,-14.1,;25.76,-15.6,;25.75,-17.14,;24.43,-16.36,;24.41,-17.9,;23.08,-15.59,;22.96,-17.12,;23.09,-14.03,;21.74,-13.25,;20.4,-14.03,;19.07,-13.27,;17.74,-14.04,;17.73,-15.59,;19.06,-16.36,;20.39,-15.59,;21.74,-16.36,;16.4,-13.27,;15.07,-14.04,;13.74,-13.27,;12.4,-14.05,;11.07,-13.29,;9.59,-13.69,;9.19,-12.21,;10.67,-11.8,;7.86,-11.45,;7.86,-9.92,;13.73,-11.73,;15.07,-10.95,;15.07,-9.44,;13.75,-8.67,;16.41,-11.72,;17.74,-10.95,;27.1,-16.37,;27.09,-17.91,;28.43,-15.6,)|
[H][C@]1(C[C@@]1([H])[C@@]1([H])CCc2cc(ccc2O1)-c1nc(OC2CCC2)cc(OC)c1F)C(O)=O |r|
[Na;v0+].[#6]-[#8]-c1cc(c(F)cn1)-c1ccc(-[#6]-2-[#6]-[#6]-c3ccc(cc3-[#8]-2)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-2-[#6]-[#6]-2)c(F)c1 |r|
[Na;v0+].[#6]-[#8]-c1cc(c(F)cn1)-c1ccc(cc1)-[#6]-1-[#6]-[#6]-c2ccc(cc2-[#8]-1)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-1-[#6]-[#6]-1 |r|
[Na;v0+].[#6]-[#8]-c1cc(c(F)cn1)-c1ccc(nc1)-[#6]-1-[#6]-[#6]-c2ccc(cc2-[#8]-1)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-1-[#6]-[#6]-1 |r|
[Na;v0+].[#6]-[#8]-c1cc(c(F)cn1)-c1cnc(-[#6]-2-[#6]-[#6]-c3ccc(cc3-[#8]-2)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-2-[#6]-[#6]-2)c(F)c1 |r|
[Na;v0+].[#6]-[#8]-c1cc(ccn1)-c1ccc(-[#6@@H]-2-[#6]-[#6]-c3ccc(cc3-[#8]-2)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-2-[#6]-[#6]-2)c(F)c1 |r|
[Na;v0+].[#6]-[#8]-c1cc(ccn1)-c1ccc(-[#6]-2-[#6]-[#6]-c3ccc(cc3-[#8]-2)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-2-[#6]-[#6]-2)c(F)c1 |r|
[Na;v0+].[#6]-[#8]-c1cc(ccn1)-c1ccc(cc1)-[#6]-1-[#6]-[#6]-c2ccc(cc2-[#8]-1)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-1-[#6]-[#6]-1 |r|
[Na;v0+].[#6]-[#8]-c1cc(ccn1)-c1ccc(nc1)-[#6]-1-[#6]-[#6]-c2ccc(cc2-[#8]-1)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-1-[#6]-[#6]-1 |r|
[Na;v0+].[#6]-[#8]-c1ccc(F)c(c1)-c1ccc(cc1)-[#6]-1-[#6]-[#6]-c2ccc(cc2-[#8]-1)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-1-[#6]-[#6]-1 |r|
[Na;v0+].[#6]-[#8]-c1ccc(F)c(c1)-c1ccc(cn1)-[#6]-1-[#6]-[#6]-c2ccc(cc2-[#8]-1)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-1-[#6]-[#6]-1 |r|
[Na;v0+].[#6]-[#8]-c1ccc(F)c(c1)-c1ccc(nc1)-[#6]-1-[#6]-[#6]-c2ccc(cc2-[#8]-1)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-1-[#6]-[#6]-1 |r|
[O-][N+](=O)c1ccc(Oc2cccc(c2)C(=O)Nc2ccccc2)cc1
[O-][N+](=O)c1ccc(cc1)C(=O)NCc1cccc(Oc2ccccc2)c1