686 SMILES Strings for P2X purinoceptor 2

Compound Name
SMILES String
CC#CCOc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
CC#CCOc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CC#CCOc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1nnc(C)s1 |r|
CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
CC(C)N(C(C)C)C(=O)N1c2ccccc2C=Cc2ccccc12 |c:17|
CC(C)N1CC(C1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CC(C)N1CC2(COc3cc(cc(c3)-c3ncc(C)s3)C(=O)N[C@H](C)c3cnc(nc3)C(F)(F)F)CC1CO2 |r|
CC(C)N1CC2COCC(C1)C2Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CC(C)N1CCC(CC1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r|
CC(C)N1CCC(CC1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CC(C)N1CCO[C@@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)N[C@H](C)c2cnc(nc2)C(F)(F)F)C1 |r|
CC(C)N1CCO[C@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)N[C@H](C)c2cnc(nc2)C(F)(F)F)C1 |r|
CC(C)N1CC[C@@H](C1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CC(C)OC(=O)N1c2ccccc2Oc2ccccc12
CC(C)Oc1ccc(Nc2nc(=O)n(CC(C)(C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(C)cc2)cc1Cl
CC(C)c1ccccc1Oc1cnc(N)nc1N
CC(C)c1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1 |r|
CC(C)c1cnc(s1)-c1cc(OC[C@@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
CC(C)c1cnc(s1)-c1cc(OC[C@@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r|
CC(C)c1cnc(s1)-c1cc(OC[C@@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1cnc(C)cn1 |r|
CC(C)c1cnc(s1)-c1cc(OC[C@@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CC(C)c1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
CC(C)c1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r|
CC(C)c1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)cn1 |r|
CC(C)c1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CC(C)c1cnc(s1)-c1cc(OC[C@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
CC(C)c1cnc(s1)-c1cc(OC[C@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r|
CC(C)c1cnc(s1)-c1cc(OC[C@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1cnc(C)cn1 |r|
CC(C)c1cnc(s1)-c1cc(OC[C@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CC(C)c1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
CC(C)c1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r|
CC(C)c1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)cn1 |r|
CC(C)c1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CC(C)c1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
CC(C)c1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r|
CC(C)c1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)cn1 |r|
CC(C)c1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CC(C)c1cnc(s1)-c1cc(O[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
CC(C)c1cnc(s1)-c1cc(O[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)cn1 |r|
CC(C)c1cnc(s1)-c1cc(O[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CC(NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
CC(NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(F)cc1Cl
CC(NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
CC(NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1ncc(F)cc1Cl
CC(NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
CC(NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1ncc(F)cc1Cl
CC(NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
CC(NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(F)cc1Cl
CC(NC(=O)c1cc(OC[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F |r|
CC(NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F |r|
CC(NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ncc(F)cc1Cl |r|
CC(NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F |r|
CC(NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ncc(F)cc1Cl |r|
CC(NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F |r|
CC(NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ncc(F)cc1Cl |r|
CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@@H](C)c1ccc(nn1)C(F)(F)F |r|
CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@@H](C)c1cnc(nc1)C(F)(F)F |r|
CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r|
CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CC(O)C(C)Oc1cc(cc(c1)-c1ncc(Cl)s1)C(=O)N[C@H](C)c1ccc(nc1)C(F)(F)F |r|
CC(O)C(C)Oc1cc(cc(c1)-c1ncc(Cl)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CC(O)[C@@H](C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r|
CC(O)[C@@H](C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
CC(O)[C@H](C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r|
CC(O)[C@H](C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|
CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
CCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
CCCN(CCC)C(=O)N1c2ccccc2C=Cc2ccccc12 |c:17|
CCCN(CCC)C(=O)N1c2ccccc2Oc2ccccc12
CCCN1CC2(COc3cc(cc(c3)-c3ncc(C)s3)C(=O)N[C@H](C)c3cnc(nc3)C(F)(F)F)CC1CO2 |r|
CCCc1cc(OC)c(OC)cc1Cc1cnc(N)nc1N
CCCc1nc(oc1C(=O)NC(C)CN1CCN(CC1)c1ncccn1)-c1ccccc1
CCN(CC)C(=O)N1c2ccccc2C=Cc2ccccc12 |c:15|
CCN1CCO[C@@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)N[C@H](C)c2cnc(nc2)C(F)(F)F)C1 |r|
CCN1CCO[C@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)N[C@H](C)c2cnc(nc2)C(F)(F)F)C1 |r|
CCOC(=O)N1CC2(COc3cc(cc(c3)-c3ncc(C)s3)C(=O)N[C@H](C)c3cnc(nc3)C(F)(F)F)CC1CO2 |r|
CCOC(=O)N1CCC(CC1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CCOC(=O)N1CC[C@@H](C1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CCOP(=O)(Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1)OCC
CCOc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
CC[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
CC[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
CC[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
CCc1cc(OC)c(OC)cc1CCc1cnc(N)nc1N
CCc1cc(OC)c(OC)cc1Cc1cnc(N)nc1N
CCc1cc(OC)c(OC)cc1Oc1cnc(N)nc1N
CCc1cc(Oc2cnc(N)nc2N)c(cc1OC)C(C)C
CCc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
CCc1cnc(s1)-c1cc(OC2CCOCC2)cc(c1)C(=O)NCc1ccc(C)nn1
CCc1cnc(s1)-c1cc(OC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
CCc1cnc(s1)-c1cc(OC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)cn1 |r|
CCc1cnc(s1)-c1cc(OC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(OC2COC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(OCC2(F)CN(C)C2)cc(c1)C(=O)N[C@H](C)c1ccc(nc1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1 |r|
CCc1cnc(s1)-c1cc(OC[C@@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
CCc1cnc(s1)-c1cc(OC[C@@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(OC[C@@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1cnc(C)cn1 |r|
CCc1cnc(s1)-c1cc(OC[C@@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)cn1 |r|
CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(OC[C@@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(OC[C@@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(OC[C@@H]2CNCCO2)cc(c1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(OC[C@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
CCc1cnc(s1)-c1cc(OC[C@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1cnc(C)cn1 |r|
CCc1cnc(s1)-c1cc(OC[C@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
CCc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)cn1 |r|
CCc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(OC[C@H]2CNCCO2)cc(c1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
CCc1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)cn1 |r|
CCc1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(O[C@@H]2CN3CCC2CC3)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r,wU:11.11,wD:25.29,(-9.22,5.52,;-7.68,5.52,;-6.91,4.19,;-7.82,2.95,;-6.91,1.7,;-5.45,2.18,;-5.45,3.72,;-4.11,1.41,;-4.11,-.13,;-2.78,-.9,;-2.78,-2.44,;-1.45,-3.21,;-1.45,-4.75,;-.11,-5.52,;1.22,-4.75,;1.22,-3.21,;-.11,-2.44,;.66,-3.78,;-.88,-4.19,;-1.45,-.13,;-1.45,1.41,;-2.78,2.18,;-.11,2.18,;-.11,3.72,;1.22,1.41,;2.55,2.18,;2.55,3.72,;3.89,1.41,;3.89,-.13,;5.22,-.9,;6.56,-.13,;6.56,1.41,;5.22,2.18,;7.89,-.9,;7.89,-2.44,;9.22,-.13,;9.22,-1.67,)|
CCc1cnc(s1)-c1cc(O[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
CCc1cnc(s1)-c1cc(O[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)cn1 |r|
CCc1cnc(s1)-c1cc(O[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
CCc1cnc(s1)-c1cc(O[C@H]2CN3CCC2CC3)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r,wD:25.29,11.11,(-9.22,5.52,;-7.68,5.52,;-6.91,4.19,;-7.82,2.95,;-6.91,1.7,;-5.45,2.18,;-5.45,3.72,;-4.11,1.41,;-4.11,-.13,;-2.78,-.9,;-2.78,-2.44,;-1.45,-3.21,;-1.45,-4.75,;-.11,-5.52,;1.22,-4.75,;1.22,-3.21,;-.11,-2.44,;.66,-3.78,;-.88,-4.19,;-1.45,-.13,;-1.45,1.41,;-2.78,2.18,;-.11,2.18,;-.11,3.72,;1.22,1.41,;2.55,2.18,;2.55,3.72,;3.89,1.41,;3.89,-.13,;5.22,-.9,;6.56,-.13,;6.56,1.41,;5.22,2.18,;7.89,-.9,;7.89,-2.44,;9.22,-.13,;9.22,-1.67,)|
CN(C(Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12
CN1CCO[C@@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)NCc2cnc(nc2)C(F)(F)F)C1 |r|
CN1CCO[C@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)NCc2cnc(nc2)C(F)(F)F)C1 |r|
CNc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1
CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@@H](COP(O)(O)=O)O1
COC(=O)N1CC2(COc3cc(cc(c3)-c3ncc(C)s3)C(=O)N[C@H](C)c3cnc(nc3)C(F)(F)F)CC1CO2 |r|
COC(=O)N1CC2COCC(C1)C2Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
COC(=O)N1CCC(CC1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
COC(=O)N1CCO[C@@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)N[C@H](C)c2cnc(nc2)C(F)(F)F)C1 |r|
COC(=O)N1CCO[C@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)N[C@H](C)c2cnc(nc2)C(F)(F)F)C1 |r|
COC(C)(C)COc1cc(cc(c1)-c1ncc(Cl)s1)C(=O)N[C@H](C)c1ccc(Cl)cn1 |r|
COC(C)(C)COc1cc(cc(c1)-c1ncc(Cl)s1)C(=O)N[C@H](C)c1cnc(C)cn1 |r|
COC(C)(C)COc1cc(cc(c1)-c1ncc(Cl)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
COCCNc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1
COCCOc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(C)nc1 |r|
CO[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 |r|
COc1cc(C(C)C)c(Oc2cnc(C)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccccc1
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ncc[nH]1
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1nnn[nH]1
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1Br
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#C
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#N
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(C)C
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(N)=O
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(O)=O
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C1=NCCN1 |t:22|
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1Cl
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1F
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(C)(=O)=O
COc1cc(C(C)C)c(Oc2cnc(NC(C)(C)CO)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NC(C)CO)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NC(CO)CO)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NC3CCOCC3)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NCC(C)(CO)CO)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NCC(C)O)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NCC(CO)CO)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NCC(F)(F)F)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NCC(O)CO)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NCCCO)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NCCN(C)C)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NCCN)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NCCN3CCC(O)CC3)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NCCN3CCCCC3)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NCCN3CCNCC3)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NCCN3CCOCC3)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NCCNC(C)=O)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NCCO)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(NCCS(C)(=O)=O)nc2N)cc1I
COc1cc(C(C)C)c(Oc2cnc(nc2N)N(C)C)cc1I
COc1cc(C(C)C)c(Oc2cncnc2N)cc1I
COc1cc(C(C)C)c(cc1OC)C(=O)c1cnc(N)nc1N
COc1cc(C(C)C)c(cc1OC)C(O)c1cnc(N)nc1N
COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC
COc1cc(CC(C)C)c(Cc2cnc(N)nc2N)cc1OC
COc1cc(Cc2cnc(N)nc2N)c(cc1OC)C(C)(C)C
COc1cc(Cc2cnc(N)nc2N)c(cc1OC)C(C)C
COc1cc(Cc2cnc(N)nc2N)c(cc1OC)C1CC1
COc1cc(Cc2cnc(N)nc2N)c(cc1OC)C1CCC1
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
COc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc(OC)c1
COc1cc(Oc2cnc(N)nc2N)c(cc1-c1ccc(F)cc1)C(C)C
COc1cc(Oc2cnc(N)nc2N)c(cc1Br)C(C)C
COc1cc(Oc2cnc(N)nc2N)c(cc1C#N)C(C)C
COc1cc(Oc2cnc(N)nc2N)c(cc1I)C(C)C
COc1cc(Oc2cnc(N)nc2N)c(cc1OC)C(C)C
COc1ccc(C(C)C)c(Oc2cnc(N)nc2N)c1
COc1ccc(CNC(=O)c2cc(OC3CCOCC3)cc(c2)-c2ncc(C)s2)nn1
COc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:17:18:21.16.15:13,17:16:18.20.19:13|
COc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC |TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:17:18:21.16.15:13,17:16:18.20.19:13|
COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
COc1ccc(Oc2cnc(N)nc2N)c(c1)C(C)C
COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ccon1 |c:11|
COc1ccc(cc1)C(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1OC(=O)c1ccc(OC)cc1)n1cnc2c(N)ncnc12 |r|
COc1ccc(cn1)[C@@H](C)NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1 |r|
COc1cccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:20:19:22:16.15.14,20:15:22:19.21.18,THB:18:19:22.17.16:14,18:17:19.21.20:14|
COc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
COc1nc(Cl)nc(Nc2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S([O-])(=O)=O)cc2S([O-])(=O)=O)n1
CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccsn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
C[C@@H](NC(=O)c1cc(OC2(C)COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC23CCN(CC2)CC3)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2C3COCC2CN(C)C3)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |THB:17:16:9:11.12.13|
C[C@@H](NC(=O)c1cc(OC2C3COCC2CN(C)C3)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CC3(C2)CN(C)C3)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CC3(C2)CN(C3)C(=O)OC(C)(C)C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CC3(CNC3)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CC3CC2CN3C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCC(=O)N(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCCN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCCN(C2)C(=O)OC(C)(C)C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCCNC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCN(C)C(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCN(C)CC2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCN(C)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCN(C)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCN(C)CC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1 |r|
C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1 |r|
C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCN(CC2)C(=O)OC(C)(C)C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCN(CC2)C(C)=O)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCNC(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCNCC2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCNCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCNCC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nc1 |r|
C[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1nnc(C)s1 |r|
C[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1nnc(s1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(Cl)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(Cl)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(Cl)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(s1)C1CCC1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCS(=O)(=O)CC2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CCS(=O)(=O)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CN(C)C2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2CN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nc1 |r|
C[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1ccc(Cl)cn1 |r|
C[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)F |r|
C[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1 |r|
C[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)F |r|
C[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1nnc(C)s1 |r|
C[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1nnc(s1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC#C)cc(c1)-c1ncc(C)s1)c1ccc(C)nc1 |r|
C[C@@H](NC(=O)c1cc(OCC#C)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OCC#C)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC#C)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(OCC#C)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1 |r|
C[C@@H](NC(=O)c1cc(OCC#C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC(C)(C)C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC(C)(C)O)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2(C)CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2(C)COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2(CC2)N(C)C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2(F)CCCN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2(F)CCCNC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2(F)CN(C)C2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2(F)CN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2(F)CNC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC23CC(CO2)N(C)C3)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC23CC(CO2)N(C3)C(=O)OC(C)(C)C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC23CNC(CO2)C3)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2CC(F)CN2C)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2CC(F)CN2C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1 |r|
C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1nnc(C)s1 |r|
C[C@@H](NC(=O)c1cc(OCC2CCN(C)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(C)nc1 |r|
C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2CN(C)CCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2CNC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2CNCCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2CNCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCCn2cncn2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCCn2cncn2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCN2C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(s1)C1CCC1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(s1)C1CCC1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CCOC2)cc(c1)-c1ncc(s1)C1CCC1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CCOC2)cc(c1)-c1ncc(s1)C1CCC1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CCOC2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CCOC2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CN(C)C(=O)CO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CN(C)C(=O)O2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
C[C@@H](NC(=O)c1cc(OC[C@@H]2CN(C)CCO2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CN(C)CCO2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CN(C)CCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CN(C)CCO2)cc(c1)-c1ncc(CO)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CN(C)CCO2)cc(c1)-c1ncc(Cl)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CN(CCO2)C(=O)OC(C)(C)C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CNC(=O)CO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2CNCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2COCC(=O)N2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2COCC(=O)N2C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2COCCN2C)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2COCCN2C)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2COCCN2C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2COCCO2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2COCCO2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@H]2COCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@]2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
C[C@@H](NC(=O)c1cc(OC[C@@]2(C)CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
C[C@@H](NC(=O)c1cc(OC[C@@]2(F)CCCN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@@]2(F)CCCNC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CCCN2C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CCCO2)cc(c1)-c1ncc(s1)C1CCC1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CCCO2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CCCO2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(Cl)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(Cl)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(s1)C1CCC1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)C(=O)CO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)C(=O)O2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(CO)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(Cl)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CN(CC(F)F)CCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CN(CCO2)C(=O)OC(C)(C)C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CNCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2COCC(=O)N2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2COCC(=O)N2C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2COCCN2C)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2COCCN2C)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2COCCN2C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2COCCO2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2COCCO2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2COCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@]2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
C[C@@H](NC(=O)c1cc(OC[C@]2(C)CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
C[C@@H](NC(=O)c1cc(OC[C@]2(F)CCCN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@]2(F)CCCNC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCC(=O)N(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
C[C@@H](NC(=O)c1cc(O[C@@H]2CCCN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCCNC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCN(C)C(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCNC(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nc1 |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(Cl)cn1 |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1 |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(cn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1nnc(C)s1 |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1nnc(s1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(Cl)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(Cl)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(Cl)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(s1)C1CCC1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CC[C@H]3[C@H]2OCCN3C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CN3CCC2CC3)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F |r,wU:9.8,wD:1.0,(1.85,3.72,;1.85,2.18,;.52,1.41,;-.82,2.18,;-.82,3.72,;-2.15,1.41,;-2.15,-.13,;-3.48,-.9,;-3.48,-2.44,;-2.15,-3.21,;-2.15,-4.75,;-.82,-5.52,;.52,-4.75,;.52,-3.21,;-.82,-2.44,;-.37,-4.11,;-1.2,-4.11,;-4.82,-.13,;-4.82,1.41,;-3.48,2.18,;-6.15,2.18,;-7.61,1.7,;-8.52,2.95,;-7.61,4.19,;-8.38,5.52,;-6.15,3.72,;3.19,1.41,;4.52,2.18,;5.85,1.41,;5.85,-.13,;4.52,-.9,;3.19,-.13,;7.19,-.9,;7.19,-2.44,;8.52,-.13,;8.52,-1.67,)|
C[C@@H](NC(=O)c1cc(O[C@@H]2CN3CCC2CC3)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r,wU:9.8,wD:1.0,(1.85,3.72,;1.85,2.18,;.52,1.41,;-.82,2.18,;-.82,3.72,;-2.15,1.41,;-2.15,-.13,;-3.48,-.9,;-3.48,-2.44,;-2.15,-3.21,;-2.15,-4.75,;-.82,-5.52,;.52,-4.75,;.52,-3.21,;-.82,-2.44,;-.05,-3.78,;-1.59,-4.19,;-4.82,-.13,;-4.82,1.41,;-3.48,2.18,;-6.15,2.18,;-7.61,1.7,;-8.52,2.95,;-7.61,4.19,;-8.38,5.52,;-6.15,3.72,;3.19,1.41,;3.19,-.13,;4.52,-.9,;5.85,-.13,;5.85,1.41,;4.52,2.18,;7.19,-.9,;8.52,-.13,;7.19,-2.44,;8.52,-1.67,)|
C[C@@H](NC(=O)c1cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r,THB:17:16:9.10.15:13.12|
C[C@@H](NC(=O)c1cc(O[C@H]2CCC(=O)N(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
C[C@@H](NC(=O)c1cc(O[C@H]2CCCN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCCNC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCN(C)C(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCNC(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCNC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nc1 |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(Cl)cn1 |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1 |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1nnc(s1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(Cl)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(Cl)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(Cl)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(s1)C1CCC1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(s1)C1CCC1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CC[C@H]3[C@H]2OCCN3C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CN3CCC2CC3)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F |r,wD:9.8,1.0,(1.85,3.72,;1.85,2.18,;.52,1.41,;-.82,2.18,;-.82,3.72,;-2.15,1.41,;-2.15,-.13,;-3.48,-.9,;-3.48,-2.44,;-2.15,-3.21,;-2.15,-4.75,;-.82,-5.52,;.52,-4.75,;.52,-3.21,;-.82,-2.44,;-.37,-4.11,;-1.2,-4.11,;-4.82,-.13,;-4.82,1.41,;-3.48,2.18,;-6.15,2.18,;-7.61,1.7,;-8.52,2.95,;-7.61,4.19,;-8.38,5.52,;-6.15,3.72,;3.19,1.41,;4.52,2.18,;5.85,1.41,;5.85,-.13,;4.52,-.9,;3.19,-.13,;7.19,-.9,;7.19,-2.44,;8.52,-.13,;8.52,-1.67,)|
C[C@@H](NC(=O)c1cc(O[C@H]2CN3CCC2CC3)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r,wD:9.8,1.0,(1.85,3.72,;1.85,2.18,;.52,1.41,;-.82,2.18,;-.82,3.72,;-2.15,1.41,;-2.15,-.13,;-3.48,-.9,;-3.48,-2.44,;-2.15,-3.21,;-2.15,-4.75,;-.82,-5.52,;.52,-4.75,;.52,-3.21,;-.82,-2.44,;-.37,-4.11,;-1.2,-4.11,;-4.82,-.13,;-4.82,1.41,;-3.48,2.18,;-6.15,2.18,;-7.61,1.7,;-8.52,2.95,;-7.61,4.19,;-8.38,5.52,;-6.15,3.72,;3.19,1.41,;3.19,-.13,;4.52,-.9,;5.85,-.13,;5.85,1.41,;4.52,2.18,;7.19,-.9,;7.19,-2.44,;8.52,-.13,;8.52,-1.67,)|
C[C@@H](NC(=O)c1cc(O[C@H]2C[C@@H](C2)N(C)C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r,wU:11.13,wD:1.0,9.8,(1.85,4.26,;1.85,2.72,;.52,1.95,;-.82,2.72,;-.82,4.26,;-2.15,1.95,;-2.15,.41,;-3.48,-.36,;-3.48,-1.9,;-2.15,-2.67,;-1.75,-4.16,;-.26,-3.76,;-.66,-2.27,;1.07,-4.53,;2.4,-3.76,;1.07,-6.07,;-4.82,.41,;-4.82,1.95,;-3.48,2.72,;-6.15,2.72,;-7.61,2.24,;-8.52,3.49,;-7.61,4.74,;-8.38,6.07,;-6.15,4.26,;3.19,1.95,;3.19,.41,;4.52,-.36,;5.85,.41,;5.85,1.95,;4.52,2.72,;7.19,-.36,;7.19,-1.9,;8.52,.41,;8.52,-1.13,)|
C[C@@H](NC(=O)c1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r,THB:17:16:9.10.15:13.12|
C[C@@H](NC(=O)c1cc(Oc2ccc(C)nc2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(Oc2ccc(C)nc2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(Oc2ccc(C)nn2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1ccc(C)nc1 |r|
C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1 |r|
C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(Oc2nccs2)cc(c1)-c1ncc(C)s1)c1ccc(C)nc1 |r|
C[C@@H](NC(=O)c1cc(Oc2nccs2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(Oc2nccs2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(Oc2nnc(C)s2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
C[C@@H](NC(=O)c1cc(Oc2nnc(C)s2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(Oc2nnc(C)s2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1 |r|
C[C@@H](NC(=O)c1cc(Oc2nnc(C)s2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@H](CN1CCN(CC1)C(C)=O)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1 |r|
C[C@H](NC(=O)c1cc(OC2C3COCC2CN(C)C3)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |THB:17:16:9:11.12.13|
C[C@H](NC(=O)c1cc(OC2CCC(=O)N(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
C[C@H](NC(=O)c1cc(OC2CCCN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(OC2CCCNC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(OC2CCN(C)C(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(OC2CCNC(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1nnc(s1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1nnc(s1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(OCC#C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
C[C@H](NC(=O)c1cc(OCC2(C)CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
C[C@H](NC(=O)c1cc(OCC2(F)CCCN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(OCC2(F)CCCNC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
C[C@H](NC(=O)c1cc(OC[C@@H]2CN(C)CCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(nc1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(OC[C@H]2CN(CCO2)C(=O)OC(C)(C)C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(OC[C@H]2CNCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1nnc(s1)C(F)(F)F |r|
C[C@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1nnc(s1)C(F)(F)F |r|
Cc1c(N)cccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(C)c1
Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(C)c1N
Cc1cc(Cl)c(OCCO)cc1NC(=O)C1=CNC(=O)C[C@H]1c1ccc(F)cc1 |r,t:16|
Cc1cc(N=Nc2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c(COP([O-])([O-])=O)c(C=O)c1O |w:4.3|
Cc1cc(Nc2ccccc2)c2C(=O)c3ccccc3C(=O)c2c1N
Cc1cc(\N=N\c2ccc(cc2S(O)(=O)=O)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O
Cc1ccc(CNC(=O)c2cc(OC3CCOCC3)cc(c2)-c2ncc(s2)C2CCC2)nn1
Cc1ccc(CNC(=O)c2cc(OCC3CCOCC3)cc(c2)-c2ncc(s2)C(F)(F)F)nn1
Cc1ccc(CNC(=O)c2cc(OCC3CCOCC3)cc(c2)-c2ncc(s2)C2CCC2)nn1
Cc1ccc(CNC(=O)c2cc(OC[C@H]3CCOC3)cc(c2)-c2ncc(s2)C2CCC2)nn1 |r|
Cc1ccc(COC(=O)N2c3ccccc3Oc3ccccc23)cc1
Cc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c(Br)c1 |TLB:18:17:20:14.13.12,18:13:20:17.19.16,THB:16:17:20.15.14:12,16:15:17.19.18:12|
Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(C)c1
Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
Cc1cccc(Nc2cc(C)c(N)c3C(=O)c4ccccc4C(=O)c23)c1
Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1C
Cc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Cc1cnc(s1)-c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)C(=O)NCc1ccc(C)nn1
Cc1cnc(s1)-c1cc(OC2CCN(CC(F)F)CC2)cc(c1)C(=O)NCc1ccc(C)nn1
Cc1cnc(s1)-c1cc(OC2CCOCC2)cc(c1)C(=O)NCc1ccc(C)nn1
Cc1cnc(s1)-c1cc(OC2CCOCC2)cc(c1)C(=O)NCc1cnc(C)cn1
Cc1cnc(s1)-c1cc(OC2COC2)cc(c1)C(=O)NCc1ccc(C)nn1
Cc1cnc(s1)-c1cc(OC2COC2)cc(c1)C(=O)NCc1ccc(nn1)C(F)(F)F
Cc1cnc(s1)-c1cc(OC2COC2)cc(c1)C(=O)NCc1cnc(nc1)C(F)(F)F
Cc1cnc(s1)-c1cc(OCC#C)cc(c1)C(=O)NCc1ccc(C)nn1
Cc1cnc(s1)-c1cc(OCC#C)cc(c1)C(=O)NCc1cnc(C)cn1
Cc1cnc(s1)-c1cc(OCC#C)cc(c1)C(=O)NCc1ncc(C)cc1F
Cc1cnc(s1)-c1cc(OCC#C)cc(c1)C(=O)NCc1ncc(Cl)cc1F
Cc1cnc(s1)-c1cc(OCC2CC2)cc(c1)C(=O)NCc1ccc(C)nn1
Cc1cnc(s1)-c1cc(OCC2CC2)cc(c1)C(=O)NCc1cnc(C)cn1
Cc1cnc(s1)-c1cc(OCC2CCCO2)cc(c1)C(=O)NCc1ncc(Cl)cc1F
Cc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)NCc1ccc(C)nn1
Cc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)NCc1cnc(C)cn1
Cc1cnc(s1)-c1cc(OC[C@@H]2CCCO2)cc(c1)C(=O)NCc1ccc(C)nn1 |r|
Cc1cnc(s1)-c1cc(OC[C@@H]2CCCO2)cc(c1)C(=O)NCc1cnc(C)cn1 |r|
Cc1cnc(s1)-c1cc(OC[C@@H]2CCCO2)cc(c1)C(=O)NCc1ncc(Cl)cc1F |r|
Cc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)NCc1ccc(C)nn1 |r|
Cc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)NCc1cnc(C)cn1 |r|
Cc1cnc(s1)-c1cc(OC[C@H]2CCCO2)cc(c1)C(=O)NCc1ccc(C)nn1 |r|
Cc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)NCc1ccc(C)nn1 |r|
Cc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)NCc1cnc(C)cn1 |r|
Cc1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)NCc1ccc(C)nn1 |r|
Cc1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)NCc1ccc(nn1)C(F)(F)F |r|
Cc1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)NCc1cnc(C)cn1 |r|
Cc1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)NCc1cnc(nc1)C(F)(F)F |r|
Cc1cnc(s1)-c1cc(O[C@H]2CCOC2)cc(c1)C(=O)NCc1ccc(C)nn1 |r|
Cc1cnc(s1)-c1cc(Oc2ccnc(C)c2)cc(c1)C(=O)NCc1ccc(C)nn1
Cc1cnc(s1)-c1cc(Oc2ccnc(C)c2)cc(c1)C(=O)NCc1cnc(C)cn1
Cc1nc(N=Nc2cc(CP(O)(O)=O)cc(CP(O)(O)=O)c2)c(CP(O)(O)=O)c(C=O)c1O |w:5.5|
Cc1nc(N=Nc2cc(ccc2C(O)=O)C(O)=O)c(CP(O)(O)=O)c(C=O)c1O |w:5.5|
Cc1nc(N=Nc2cc(ccc2Cl)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:4.3|
Cc1nc(N=Nc2cc(ccc2S(O)(=O)=O)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:4.3|
Cc1nc(N=Nc2cc(ccc2S(O)(=O)=O)S(O)(=O)=O)c(CP(O)(O)=O)c(C=O)c1O |w:4.3|
Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(CCP(O)(O)=O)c(C=O)c1O |w:5.5|
Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:5.5|
Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(CP(O)(O)=O)c(C=O)c1O |w:5.5|
Cc1nc(N=Nc2ccc(cc2)P(O)(O)=O)c(CP(O)(O)=O)c(C=O)c1O |w:5.5|
Cc1nc(N=Nc2ccc(cc2S(O)(=O)=O)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:4.3|
Cc1nc(N=Nc2ccccc2)c(COP(O)(O)=O)c(C=O)c1O |w:5.5|
Cc1nc(\N=N\c2ccc(cc2S(O)(=O)=O)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O
Cc1ncc(COP(O)(O)=O)c(C=O)c1O
Cc1ncc2COP(O)(=O)OCc2c1O
Clc1ncccc1NC(=S)NC(=O)c1ccc2OCOc2c1
N.N.N.N.[H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1cnc2c(N)ncnc12 |r|
N.N.N.N.[H][C@]12OC3(CCCCC3)O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(=O)CP(O)(=O)OP(O)(O)=O)n1cnc2c(N)ncnc12 |r|
N.N.N.N.[H][C@]12OC3(CCCCC3)O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1cnc2c(N)ncnc12 |r|
N.N.N.N.[H][C@]12OCO[C@@]1([H])[C@@H](O[C@@H]2COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1cnc2c(N)ncnc12 |r|
N.N.N.N.[H][C@]12O[C@@H](O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1cnc2c(N)ncnc12)c1ccccc1 |r|
N.N.N.N.[H][C@]12O[C@H](O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1cnc2c(N)ncnc12)c1ccccc1 |r|
NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1cccc(Cl)c1
N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 |r|
Nc1c(cc(NC2CCCCC2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2cc(Cl)ccc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2cc(F)cc(F)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccc(CC(O)=O)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccc(Cl)cc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccc(F)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccc(Nc3nc(=O)[nH]c(=O)[nH]3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O
Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccc(Nc3ncccn3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccc(Nc3ncccn3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccc(O)c(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccc(O)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccc(Oc3ccccc3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccc(c(Nc3nc(=O)[nH]c(=O)[nH]3)c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccc(c(Nc3nc(Cl)nc(Cl)n3)c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccc(cc2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2cccc(Br)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2cccc(Cl)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2cccc(F)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2cccc(Nc3nc(Cl)nc(Cl)n3)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2cccc(Oc3ccccc3)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2cccc(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccccc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(Nc2ccccc2O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S(O)=O)n3)c(c2)S(O)(=O)=O)cc1S(O)(=O)=O
Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc(cc2)S([O-])(=O)=O)cc1S([O-])(=O)=O
Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)C(F)(F)F)cc1S([O-])(=O)=O
Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)[N+]([O-])=O)cc1S([O-])(=O)=O
Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc3ccccc23)cc1S([O-])(=O)=O
Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccccc2)cc1S([O-])(=O)=O
Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccccc2S([O-])(=O)=O)cc1S([O-])(=O)=O
Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc(c1)C(O)=O
Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)ccc1S([O-])(=O)=O
Nc1ccc(CCSc2nc(N)c3ncn([C@@H]4O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]4O)c3n2)cc1
Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1S([O-])(=O)=O
Nc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
Nc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(N=[N+]=[N-])nc12 |r|
Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)CP(O)(=O)OP(O)(O)=O)C(O)C1O
Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)n2cnc3c(N)ncnc23)C(O)C1O
Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)OC2C(CO)OC(C2O)n2cnc3c(N)ncnc23)C(O)C1O
Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)n2cnc3c(N)ncnc23)C(O)C1O
Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)n2cnc3c(N)ncnc23)C(O)C1O
Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C2OC3(OC12)C(=C[C-](C=C3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O |c:36,39,(6.91,.64,;6.89,-.9,;5.56,-1.66,;5.55,-3.21,;6.88,-3.97,;8.21,-3.22,;9.67,-3.7,;10.58,-2.46,;9.68,-1.21,;8.22,-1.68,;10.14,-5.17,;9.23,-6.42,;10.13,-7.66,;9.36,-9,;7.82,-9.01,;7.06,-10.34,;5.72,-9.57,;8.15,-11.43,;5.96,-11.43,;4.42,-11.44,;4.39,-9.89,;3.66,-12.79,;2.92,-11.07,;1.38,-11.1,;.93,-9.62,;-.11,-11.54,;1.4,-12.64,;11.6,-7.19,;13.07,-7.68,;13.97,-6.42,;13.07,-5.18,;11.6,-5.65,;14.73,-7.75,;16.26,-7.76,;17.03,-6.44,;16.26,-5.11,;14.73,-5.1,;13.96,-3.76,;14.73,-2.42,;12.42,-3.75,;18.57,-6.45,;19.34,-5.11,;19.34,-7.79,;13.95,-9.09,;12.41,-9.08,;14.72,-10.43,)|
Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=S)C(O)C1O
Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(S)=O)C(O)C1O
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1F |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1OC(=O)c1ccc(cc1)-c1ccccc1
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2ccc(cc2)C(=O)c2ccccc2)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2cccc3ccccc23)[C@H]1OC(=O)c1cccc2ccccc12 |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(S)=O)[C@@H](O)[C@H]1O
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(S)=O)[C@@H](O)[C@H]1O
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r|
Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r|
O=C(N1CCCC1)N1c2ccccc2C=Cc2ccccc12 |c:16|
O=C(N1CCCCC1)N1c2ccccc2C=Cc2ccccc12 |c:17|
O=C(NC1CCCCC1)N1c2ccccc2C=Cc2ccccc12 |c:18|
O=C(NCCc1ccccc1)N1c2ccccc2Oc2ccccc12
O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12
OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(=O)N(Cc1cccc(Oc2ccccc2)c1)[C@@H]1CCCc2ccccc12
OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(=O)N(Cc1cccc(Oc2ccccc2)c1)[C@H]1CCCc2ccccc12
OC1C(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)n2cnc3c4nccn4cnc23)OC(C1O)n1cnc2c3nccn3cnc12
OC1C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC(C1O)n1ccc(=O)[nH]c1=O
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc[nH]c3=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O |r|
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1c2ncncc2[nH]c1=O |r|
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Cl)ncnc12 |r|
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12 |r|
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(S)ncnc12 |r|
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c3nccn3cnc12 |r|
O[C@H]([C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1cscn1)NC(=O)c1nc2ccccc2[nH]1)[C@@H](O)C1CC1
Oc1c(Cl)cc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl |TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:17:18:21.16.15:13,17:16:18.20.19:13|
Oc1c(Cl)cc(NC(=S)NC(=O)c2ccc3OCOc3c2)cc1Cl
Oc1c(Cl)cccc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Oc1c(F)cccc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Oc1c(ccc2ccccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Oc1cc(Cl)ccc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Oc1ccc(Cl)cc1C(=O)Nc1cc(Cl)cc(Cl)c1
Oc1ccc(Cl)cc1C(=O)Nc1cc(F)cc(F)c1
Oc1ccc(Cl)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Oc1ccc(Cl)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)[N+]([O-])=O
Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1)C(F)(F)F
Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1
Oc1ccc(Cl)cc1C(=O)Nc1cccc(c1)C(F)(F)F
Oc1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)cc1
Oc1cccc(NC(=S)NC(=O)c2ccc3OCOc3c2)c1
Oc1ccccc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Oc1ccccc1NC(=S)NC(=O)c1ccc2OCOc2c1
[#7]-c1ncnc2n(cnc12)-[#6]-1-[#8]-[#6](-[#6]-[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O)-[#6]-2-[#8]C3([#8]-[#6]-1-2)[#6](=[#6]-[#6](=[#6]\[#6]3=[#7+](\[#8-])-[#8-])-[#7+](-[#8-])=O)-[#7+](-[#8-])=O |c:36,38|
[#7]-c1ncnc2n(cnc12)-[#6]-1-[#8]-[#6](-[#6]-[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O)-[#6]-2-[#8]C3([#8]-[#6]-1-2)[#6](=[#6]\[#6](-[#6]=[#6]3-[#7+](-[#8-])=O)=[#7+](/[#8-])-[#8-])-[#7+](-[#8-])=O |c:36,39|
[H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2C(=O)N[C@@H](CCC(O)=O)C(O)=O)n1cnc2c(N)ncnc12 |r|
[H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2COC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(O)=O)n1cnc2c(N)ncnc12 |r|
[Na;v0+].[#6]-[#8]-c1ccccc1-[#6@H]-1-[#7](-[#6](=O)-[#6](-[#8-])=[#6]-1-[#6](=O)-[#6](-[#6])-[#6])-c1ccc(cc1)-c1ccsc1 |r,c:14|
[O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(F)c(NC(=O)c4cccc(NC(=O)Nc5cccc(c5)C(=O)Nc5cc(ccc5F)C(=O)Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c4)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O
[O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(NC(=O)c4ccc(NC(=O)Nc5ccc(cc5)C(=O)Nc5ccc(cc5)C(=O)Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O
[O-]S(=O)(=O)c1cc(c2c(NC(=O)c3cccc(NC(=O)Nc4cccc(c4)C(=O)Nc4ccc(c5cc(cc(c45)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O
[O-]S(=O)(=O)c1cc(c2c(Nc3cccc(NC(=O)Nc4cccc(Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c4)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O
[O-][N+](=O)c1ccc(Cl)c(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:22:21:24:18.17.16,22:17:24:21.23.20,THB:20:21:24.19.18:16,20:19:21.23.22:16|
[O-][N+](=O)c1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)cc1