1000 SMILES Strings for Histone acetyltransferase p300

Compound Name
SMILES String
[#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H](-[#6][C@@]12[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6]1=O)[#6]2=O)-[#6](-[#6])=[#6] |r,TLB:40:39:26.24.37:15.8.9|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)[C@@]([#6](=O)-c3ccccc3)([#6]2=O)C1([#6])[#6] |r,THB:33:32:15.21.13:34.6.5|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2=O)[C@]1([#6])[#6]-[#6]=[#6](-[#6])-[#6] |r,THB:35:34:15.26.13:36.6.5|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6](-[#6]-[#6](-[#6]=[#6](-[#6])-[#6])[C@]12[#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6]1=O)[#6]2=O)-[#6](-[#6])=[#6] |r,TLB:45:44:31.29.42:20.13.14|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H]1-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccccc3)-[#6](=O)[C@]([#6]\[#6]=[#6](/[#6])-[#6])([#6]2=O)C1([#6])[#6] |r,THB:33:32:15.24.13:34.6.5|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1 |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1)c1ccc(Cl)cc1 |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1)c1ccc(Cl)cc1 |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1)c1ccc(Cl)cc1 |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1)c1ccc(Cl)cc1 |r|
C[C@@H](Cc1ccc(Cl)cc1)N[C@@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1 |r|
C[C@H](Cc1ccc(Cl)cc1)N[C@@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1 |r|
C[C@@H](Cc1ccc(Cl)cc1)N[C@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1 |r|
C[C@H](Cc1ccc(Cl)cc1)N[C@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)S(N)(=O)=O)c2ccccc2)cc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)S(N)(=O)=O)c2ccccc2)cc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnc(C)nc1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnc(C)nc1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnc(C)nc1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnc(C)nc1)c1ccccc1)c1ccc(cc1)C#N |r|
O=C(Nc1ccc(cn1)-c1cn[nH]c1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
O=C(Nc1ccc(cn1)-c1cn[nH]c1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)CO)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)CO)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)CO)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)CO)c1ccccc1)c1ccc(cc1)C#N |r|
Cc1cnc([nH]1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|
Cc1cnc([nH]1)-c1ccc(NC(=O)[C@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|
Clc1ccc(CCN[C@H](C(=O)Nc2ccc(cc2)-c2cccnn2)c2ccccc2)cc1 |r|
Clc1ccc(CCN[C@@H](C(=O)Nc2ccc(cc2)-c2cccnn2)c2ccccc2)cc1 |r|
Cc1cnc([nH]1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1 |r|
Cc1cnc([nH]1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1 |r|
O=C(Nc1ccc(cc1)-c1cccnn1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
O=C(Nc1ccc(cc1)-c1cccnn1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
Cn1cnc(c1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
Cn1cnc(c1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
Cn1ccc(n1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
Cn1ccc(n1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1ccc(C)nn1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1ccc(C)nn1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1ccc(C)nn1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1ccc(C)nn1)c1ccccc1)c1ccc(cc1)C#N |r|
Cc1cn(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|
Cc1cn(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|
CN1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|
CN1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|
CN1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1 |r|
CN1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cn1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cn1 |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(F)F)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(F)F)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(F)F)c1ccccc1)c1ccc(cc1)C#N |r|
CC(=O)N1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|
CC(=O)N1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(Cl)cc2)c2ccccc2)cc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ncc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cn1 |r|
Cn1cc(cn1)-c1ncc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cn1 |r|
COc1cc(ccc1NC(=O)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1)-c1cnn(C)c1 |r|
COc1cc(ccc1NC(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1)-c1cnn(C)c1 |r|
COc1cc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)ccc1-c1cnn(C)c1 |r|
COc1cc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)ccc1-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)c(Cl)c1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)c(Cl)c1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1Cl |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1Cl |r|
Cc1cn(cn1)-c1ccc(NC(=O)C(NCCc2ccc(cc2)C#N)c2ccccc2)nc1
Cc1cn(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2F)C#N)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2F)C#N)c2ccccc2)nc1 |r|
O=C(Nc1ccn(n1)C1CCOCC1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
O=C(Nc1ccn(n1)C1CCOCC1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
COC1CN(C1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
COC1CN(C1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
COC1CN(C1)c1ccc(NC(=O)[C@H](NC[C@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|
COC1CN(C1)c1ccc(NC(=O)[C@H](NC[C@@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|
COC1CN(C1)c1ccc(NC(=O)[C@@H](NC[C@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|
COC1CN(C1)c1ccc(NC(=O)[C@@H](NC[C@@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
O=C(Nc1ccc(cn1)-c1ccccc1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
O=C(Nc1ccc(cn1)-c1ccccc1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
O=C(Nc1ccc(nc1)N1CCCC1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
O=C(Nc1ccc(nc1)N1CCCC1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
CN1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cn1 |r|
CN1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cn1 |r|
O=C(Nc1ccc(cn1)N1CCCC1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
O=C(Nc1ccc(cn1)N1CCCC1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
FC1(F)CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
FC1(F)CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(C)c2)c(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(C)c2)c(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|
CC(CNC(C(=O)Nc1ccc(-c2cnn(C)c2)c(C)n1)c1ccccc1)c1ccc(cc1)C#N
C[C@H](CN[C@H](C(=O)Nc1ccc(-c2cnn(C)c2)c(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|
FC(F)(F)CN1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
FC(F)(F)CN1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
Cc1cc(ccc1CCN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)C#N |r|
Cc1cc(ccc1CCN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)C#N |r|
O=C(Nc1ccc(cn1)C1CC1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
O=C(Nc1ccc(cn1)C1CC1)C(NCCc1ccc(cc1)C#N)c1ccccc1
Cn1cc(cn1)-c1cnc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)c(Cl)c1 |r|
Cn1cc(cn1)-c1cnc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)c(Cl)c1 |r|
CN1CCN(CC1=O)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CN1CCN(CC1=O)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CN1CCN(CC1=O)c1ccc(NC(=O)[C@@H](NCCc2ccc(Cl)cc2)c2ccccc2)nc1 |r|
CN1CCN(CC1=O)c1ccc(NC(=O)[C@H](NCCc2ccc(Cl)cc2)c2ccccc2)nc1 |r|
O=C(Nc1ccc(cn1)C1CCC1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
O=C(Nc1ccc(cn1)C1CCC1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)C#N)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)C#N)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)C#N)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)C#N)c1ccccc1)c1ccc(cc1)C#N |r|
Cc1ccc(CCN[C@H](C(=O)Nc2ccc(cn2)-c2cnn(C)c2)c2ccccc2)cc1 |r|
Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(cn2)-c2cnn(C)c2)c2ccccc2)cc1 |r|
CN1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CN1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
O=C(Nc1ccn(n1)-c1ccccc1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
O=C(Nc1ccn(n1)-c1ccccc1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2Cl)C#N)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2Cl)C#N)c2ccccc2)nc1 |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C1CCC1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C1CCC1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C1CCC1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C1CCC1)c1ccccc1)c1ccc(cc1)C#N |r|
COC1(C)CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
COC1(C)CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(C)(C)C)c1ccccc1)c1ccc(cc1)C#N |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(Cl)cc2)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(Cl)cc2)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1cnc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cn1 |r|
Cn1cc(cn1)-c1cnc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cn1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nn1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nn1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(F)cc2)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(F)cc2)c2ccccc2)nc1 |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-n1cnc(c1)C(C)(C)C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-n1cnc(c1)C(C)(C)C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-n1cnc(c1)C(C)(C)C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-n1cnc(c1)C(C)(C)C)c1ccccc1)c1ccc(cc1)C#N |r|
Cc1nnc2CN(CCn12)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
Cc1nnc2CN(CCn12)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-n1ccc(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-n1ccc(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-n1ccc(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-n1ccc(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-n1cc(C)cn1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-n1cc(C)cn1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-n1cc(C)cn1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-n1cc(C)cn1)c1ccccc1)c1ccc(cc1)C#N |r|
COc1ccc(cc1)[C@H](NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|
COc1ccc(cc1)[C@@H](NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|
CCN(CC)C(=O)C1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CCN(CC)C(=O)C1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CC1(C)CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CC1(C)CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
COC1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
COC1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccc(Cl)cc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccc(Cl)cc2)nc1 |r|
CS(=O)(=O)N1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CS(=O)(=O)N1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CN1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(Cl)cc2)c2ccccc2)nc1 |r|
CN1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(Cl)cc2)c2ccccc2)nc1 |r|
COc1cccc(c1)[C@H](NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|
COc1cccc(c1)[C@@H](NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|
CN1CCN(CCC1=O)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CN1CCN(CCC1=O)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CC(=O)N1CCN(CC1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CC(=O)N1CCN(CC1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
Cc1ncn(n1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
Cc1ncn(n1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1cnc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1F |r|
Cn1cc(cn1)-c1cnc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1F |r|
Cn1cc(cn1)-c1cnc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)c(F)c1 |r|
Cn1cc(cn1)-c1cnc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)c(F)c1 |r|
CCN1CCN(C1=O)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CCN1CCN(C1=O)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
FC1(F)CCN(C1)c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
FC1(F)CCN(C1)c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
Cc1cn(nn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
Cc1cn(nn1)-c1ccc(NC(=O)C(NCCc2ccc(cc2)C#N)c2ccccc2)nc1
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2cccc(Cl)c2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2cccc(Cl)c2)nc1 |r|
O=C(Nc1ccc(cn1)N1CC2(COC2)C1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
O=C(Nc1ccc(cn1)N1CC2(COC2)C1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
O=C(Nc1ccc(cn1)N1CCOCC1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
O=C(Nc1ccc(cn1)N1CCOCC1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cc1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(F)(F)F)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(F)(F)F)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(F)(F)F)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(F)(F)F)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(=O)N(C)C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(=O)N(C)C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(C#N)c(F)c2)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(C#N)c(F)c2)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2c(F)cc(cc2F)C#N)c2ccccc2)nc1 |r|
COc1ccccc1[C@H](NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|
COc1ccccc1[C@@H](NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2Cl)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2Cl)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)C2CCCCC2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)C2CCCCC2)nc1 |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1F)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1F)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1F)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1F)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(C#N)c(F)c1 |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(C#N)c(F)c1 |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(C#N)c(F)c1 |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(C#N)c(F)c1 |r|
CO[C@@H]1CCN(C1)c1ccc(NC(=O)[C@H](NC[C@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CO[C@@H]1CCN(C1)c1ccc(NC(=O)[C@H](NC[C@@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CO[C@@H]1CCN(C1)c1ccc(NC(=O)[C@@H](NC[C@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CO[C@@H]1CCN(C1)c1ccc(NC(=O)[C@@H](NC[C@@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CO[C@H]1CCN(C1)c1ccc(NC(=O)[C@H](NC[C@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CO[C@H]1CCN(C1)c1ccc(NC(=O)[C@H](NC[C@@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CO[C@H]1CCN(C1)c1ccc(NC(=O)[C@@H](NC[C@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CO[C@H]1CCN(C1)c1ccc(NC(=O)[C@@H](NC[C@@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(Cl)cc2C#N)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(Cl)cc2C#N)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2C(F)(F)F)C#N)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2C(F)(F)F)C#N)c2ccccc2)nc1 |r|
O=C(Nc1ccc(cn1)N1CCC2(COC2)C1)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
O=C(Nc1ccc(cn1)N1CCC2(COC2)C1)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCC2(CC2)c2ccc(Cl)cc2)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCC2(CC2)c2ccc(Cl)cc2)c2ccccc2)nc1 |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)n1)c1ccccc1)c1ccc(cc1)C(F)(F)F |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)n1)c1ccccc1)c1ccc(cc1)C(F)(F)F |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)n1)c1ccccc1)c1ccc(cc1)C(F)(F)F |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)n1)c1ccccc1)c1ccc(cc1)C(F)(F)F |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cn(C)nn1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cn(C)nn1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cn(C)nn1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cn(C)nn1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|
CCN1CCN(CC1=O)c1ccc(NC(=O)[C@H](NC[C@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CCN1CCN(CC1=O)c1ccc(NC(=O)[C@H](NC[C@@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(CC(F)(F)F)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(CC(F)(F)F)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(CC(F)(F)F)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(CC(F)(F)F)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cn[nH]c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cn[nH]c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cn[nH]c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cn[nH]c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1ccn(C)c(=O)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1ccn(C)c(=O)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cc(=O)n(C)cn1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cc(=O)n(C)cn1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1noc(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1noc(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)S1(=O)=O)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)S1(=O)=O)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(C)S1(=O)=O)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(C)S1(=O)=O)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)C1CN(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)C1CN(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)C1CN(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2F)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2F)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2cccc(F)c2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2cccc(F)c2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccc(F)cc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccc(F)cc2)nc1 |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cn(C)nc1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cn(C)nc1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1cc(C)c(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1cc(C)c(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2cccc(c2)C#N)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2cccc(c2)C#N)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2cccc(c2)C(F)(F)F)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2cccc(c2)C(F)(F)F)nc1 |r|
CCCCCCc1cccc(c1)[C@H](NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|
CCCCCCc1cccc(c1)[C@@H](NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccc(cc2)C#N)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccc(cc2)C#N)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccc(cc2)C(F)(F)F)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccc(cc2)C(F)(F)F)nc1 |r|
CCCCCCc1ccc(cc1)C(NCCc1ccc(cc1)C#N)C(=O)Nc1ccc(cn1)-c1cnn(C)c1
Cn1cc(cn1)-c1ccnc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)c1 |r|
Cn1cc(cn1)-c1ccnc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)c1 |r|
Cn1cc(cn1)-c1cccc(NC(=O)[C@@H](NCCc2ccc(cc2)C#N)c2ccccc2)n1 |r|
Cn1cc(cn1)-c1cccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)n1 |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CC(C)N(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CC(C)N(C)C(=O)C1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CC(=O)N(C)CC1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CC(=O)N(C)CC1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CC(=O)N(C)CC1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CC(=O)N(C)CC1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1cnn(C)c1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1cnn(C)c1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1cnn(C)c1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1cnn(C)c1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(F)F)c1cnn(C)c1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(F)F)c1cnn(C)c1)c1ccc(cc1)C#N |r|
CC(CNC(C(=O)Nc1ccc(cn1)-c1cnn(c1)C(F)F)c1cnn(C)c1)c1ccc(cc1)C#N
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(c1)C(F)F)c1cnn(C)c1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1cncc(F)c1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1cncc(F)c1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1c(C)nn(C)c1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1c(C)nn(C)c1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1c(C)noc1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1c(C)noc1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(=O)N2CCCC2)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(=O)N2CCCC2)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1c(C)n[nH]c1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1c(C)n[nH]c1C)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1ccc(=O)n(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1ccc(=O)n(C)n1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(CC1)C(C)=O)c1cccc(F)c1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(CC1)C(C)=O)c1cccc(F)c1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1cnn(C)c1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1cnn(C)c1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1cnn(C)c1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1cnn(C)c1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1cccc(F)c1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)N1CCN(C)C(=O)C1)c1cccc(F)c1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(=O)N(C)C)c1)c1cccc(F)c1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(=O)N(C)C)c1)c1cccc(F)c1)c1ccc(cc1)C#N |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c(=O)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c(=O)c1)c1ccccc1)c1ccc(cc1)C#N |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(nc2)C(F)(F)F)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(nc2)C(F)(F)F)c2ccccc2)nc1 |r|
Cc1ccc(CCNC(C(=O)Nc2ccc(cn2)-c2cnn(C)c2)c2ccccc2)cn1
Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(cn2)-c2cnn(C)c2)c2ccccc2)cn1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCc2ccc(cn2)C#N)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cn2)C#N)c2ccccc2)nc1 |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(C)nc1 |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(C)nc1 |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(C)nc1 |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(C)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCCn2cc(cn2)C#N)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCn2cc(cn2)C#N)c2ccccc2)nc1 |r|
Cc1cc(nn1CCN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)C#N |r|
Cc1cc(nn1CCN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)C#N |r|
CNC(=O)Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NC[C@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|
CNC(=O)Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NC[C@@H](C)c2ccc(cc2)C#N)c2ccccc2)nc1 |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(N)=O)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(CC(N)=O)c1)c1ccccc1)c1ccc(cc1)C#N |r|
Cn1cc(cn1)[C@H](NCCc1ccc(Cl)cc1)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|
Cn1cc(cn1)[C@@H](NCCc1ccc(Cl)cc1)C(=O)Nc1ccc(cn1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@@H](NCC(c2ccc(cc2)C#N)C(F)(F)F)c2ccccc2)nc1 |r|
Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCC(c2ccc(cc2)C#N)C(F)(F)F)c2ccccc2)nc1 |r|
C[C@@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1cnc(C)nc1 |r|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1cnc(C)nc1 |r|
C[C@@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1cnc(C)nc1 |r|
C[C@H](CN[C@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1cnc(C)nc1 |r|
Cn1cc(cn1)-c1ccc2N(CCCc2c1)C(=O)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
Cn1cc(cn1)-c1ccc2N(CCCc2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
Cn1cc(cn1)-c1ccc2N(CCc2c1)C(=O)[C@@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
Cn1cc(cn1)-c1ccc2N(CCc2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
NS(=O)(=O)c1ccc(CCN[C@@H](C(=O)N2CCc3ccccc23)c2ccccc2)cc1 |r|
NS(=O)(=O)c1ccc(CCN[C@H](C(=O)N2CCc3ccccc23)c2ccccc2)cc1 |r|
NS(=O)(=O)c1ccc(CCNC(C(=O)N2CCCc3ccccc23)c2ccccc2)cc1
COC(=O)[C@@H]1CCC[C@H](C1)n1c(Cc2ccccc2)nc2c3CC[C@H](C)N(C(=O)OC)c3ccc12 |r|
Cc1noc(C)c1-c1ccc2n(C3CC4C(C3)C4(F)F)c(nc2c1)[C@H]1CCCC(=O)N1c1ccc(F)c(F)c1 |r|
CO[C@H]1CCC(CC1)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@@H]1C[C@H]2C[C@H]2C(=O)N1c1ccc(F)c(F)c1 |r,wU:2.1,28.31,26.30,wD:24.27,(3.6,-1.15,;2.1,-1.47,;1.62,-2.93,;2.65,-4.08,;2.18,-5.54,;.67,-5.86,;-.36,-4.72,;.12,-3.25,;.19,-7.33,;1.1,-8.57,;.19,-9.82,;-1.27,-9.34,;-2.6,-10.11,;-3.94,-9.34,;-3.94,-7.8,;-2.6,-7.03,;-1.27,-7.8,;-5.27,-10.11,;-6.68,-9.48,;-7,-7.98,;-7.71,-10.63,;-6.94,-11.96,;-5.43,-11.64,;-4.29,-12.67,;2.64,-8.57,;3.41,-7.24,;4.95,-7.24,;6.49,-7.24,;5.72,-8.57,;4.95,-9.91,;5.72,-11.24,;3.41,-9.91,;2.64,-11.24,;1.1,-11.24,;.33,-12.57,;1.1,-13.91,;.33,-15.24,;2.64,-13.91,;3.41,-15.24,;3.41,-12.57,)|
CO[C@H]1CCC(CC1)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@H]1C[C@@H]2C[C@@H]2C(=O)N1c1ccc(F)c(F)c1 |r,wU:24.27,2.1,wD:28.31,26.30,(7.31,-18.62,;5.81,-18.94,;5.33,-20.4,;6.36,-21.55,;5.88,-23.01,;4.38,-23.33,;3.35,-22.19,;3.82,-20.72,;3.9,-24.79,;4.81,-26.04,;3.9,-27.29,;2.44,-26.81,;1.1,-27.58,;-.23,-26.81,;-.23,-25.27,;1.1,-24.5,;2.44,-25.27,;-1.56,-27.58,;-2.97,-26.95,;-3.29,-25.45,;-4,-28.1,;-3.23,-29.43,;-1.72,-29.11,;-.58,-30.14,;6.35,-26.04,;7.12,-24.71,;8.66,-24.71,;10.2,-24.71,;9.43,-26.04,;8.66,-27.37,;9.43,-28.71,;7.12,-27.37,;6.35,-28.71,;4.81,-28.71,;4.04,-30.04,;4.81,-31.38,;4.04,-32.71,;6.35,-31.38,;7.12,-32.71,;7.12,-30.04,)|
CO[C@H]1CCC(CC1)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@@H]1CN(C)C(=O)N1c1ccc(F)c(F)c1 |r,wU:2.1,wD:24.27,(3.65,-7.11,;2.14,-7.43,;1.67,-8.89,;2.7,-10.04,;2.22,-11.5,;.72,-11.82,;-.31,-10.68,;.16,-9.21,;.24,-13.29,;1.15,-14.53,;.24,-15.78,;-1.22,-15.3,;-2.56,-16.07,;-3.89,-15.3,;-3.89,-13.76,;-2.56,-12.99,;-1.22,-13.76,;-5.22,-16.07,;-6.63,-15.45,;-6.95,-13.94,;-7.66,-16.59,;-6.89,-17.92,;-5.39,-17.6,;-4.24,-18.63,;2.69,-14.53,;3.59,-13.29,;5.06,-13.76,;6.3,-12.86,;5.06,-15.3,;6.3,-16.21,;3.59,-15.78,;3.12,-17.24,;1.61,-17.56,;1.13,-19.03,;2.16,-20.17,;1.69,-21.64,;3.67,-19.85,;4.7,-21,;4.15,-18.39,)|
Cc1noc(C)c1-c1ccc2n(C3CCC4(COC4)CC3)c(nc2c1)[C@H]1CCCC(=O)N1c1ccc(F)c(F)c1 |r|
COC12CCC(CC1)(CC2)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@H]1CCCC(=O)N1c1ccc(F)c(F)c1 |r|
CO[C@H]1CCC(CC1)n1c(nc2c(C)c(ccc12)-c1c(C)noc1C)[C@H]1C[C@@H]2C[C@@H]2C(=O)N1c1ccc(F)c(F)c1 |r,wU:25.28,2.1,wD:29.32,27.31,(6.13,-10.73,;4.62,-11.05,;4.15,-12.51,;5.18,-13.66,;4.7,-15.12,;3.19,-15.44,;2.16,-14.3,;2.64,-12.83,;2.72,-16.9,;3.62,-18.15,;2.72,-19.4,;1.25,-18.92,;-.08,-19.69,;-.08,-21.23,;-1.41,-18.92,;-1.41,-17.38,;-.08,-16.61,;1.25,-17.38,;-2.75,-19.69,;-4.15,-19.06,;-4.47,-17.56,;-5.19,-20.21,;-4.42,-21.54,;-2.91,-21.22,;-1.76,-22.25,;5.16,-18.15,;5.93,-16.82,;7.47,-16.82,;9.01,-16.82,;8.24,-18.15,;7.47,-19.48,;8.24,-20.82,;5.93,-19.48,;5.16,-20.82,;3.62,-20.82,;2.85,-22.15,;3.62,-23.49,;2.85,-24.82,;5.16,-23.49,;5.93,-24.82,;5.93,-22.15,)|
CO[C@H]1CCC(CC1)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@H]1CCSC(=O)N1c1ccc(F)c(F)c1 |r,wU:24.27,2.1,(7.53,-11.51,;6.02,-11.83,;5.55,-13.29,;6.58,-14.44,;6.1,-15.9,;4.6,-16.22,;3.57,-15.08,;4.04,-13.61,;4.12,-17.69,;5.03,-18.93,;4.12,-20.18,;2.66,-19.7,;1.32,-20.47,;-.01,-19.7,;-.01,-18.16,;1.32,-17.39,;2.66,-18.16,;-1.35,-20.47,;-2.75,-19.85,;-3.07,-18.34,;-3.78,-20.99,;-3.01,-22.32,;-1.51,-22,;-.36,-23.03,;6.57,-18.93,;7.34,-17.6,;8.88,-17.6,;9.65,-18.93,;8.88,-20.27,;9.65,-21.6,;7.34,-20.27,;6.48,-21.74,;4.77,-21.74,;3.92,-23.22,;4.77,-24.7,;3.92,-26.18,;6.48,-24.7,;7.34,-26.18,;7.34,-23.22,)|
COC12CCC(CC1)(CC2)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@@H]1C[C@@H]2C[C@@H]2C(=O)N1c1ccc(F)c(F)c1 |r|
COC12CCC(CC1)(CC2)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@H]1CCOC(=O)N1c1ccc(F)c(F)c1 |r|
CNC(=O)Cn1cc(cn1)-c1ccc2c(c1)C(F)CC21NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C(C)C(F)(F)F)C1=O
FC(F)Oc1ccc(cc1)C1(CCC(F)(F)CC1)C(=O)N1CC(F)CC1C(=O)Nc1ccc2[nH]ncc2n1
CCN(CC)c1ccc(cn1)-c1nc2cc(ccc2n1Cc1ccn(CC)n1)C(=O)NC
CC(N(Cc1ccc(F)cc1)C(=O)CN1C(=O)N[C@]2(CCc3cc(ccc23)-c2cnn(C)c2)C1=O)C(F)(F)F |r|
Cn1cc(cn1)-c1ccc2c(CC[C@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@]22OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)C(C)C(F)(F)F)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3[C@@H](C)CC[C@H]3c3cc(F)c(F)c(F)c3)C2=O)c1 |r|
CCn1ncc(CN(C)C(=O)c2cc(nc3ccc(Cl)cc23)-c2ccc(NC3CN(C)C3)c(C)n2)c1C
CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)Oc4ccc(cc4F)F
CNC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1
CC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1
Nc1ccc(O)c2ccccc12
CN(C)c1ccc(O)c2ccccc12
COc1ccc(N)c2ccccc12
COc1cc(O)c2ccccc2c1N
Oc1ccc(NC(=O)Cc2ccccc2)c2ccccc12
Oc1ccc([N+]([O-])=O)c2ccccc12
CS(=O)(=O)Nc1ccc(O)c2ccccc12
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c2ccccc12
c1cc(ccc1N)O
Nc1ccc(O)c2ccncc12
CCCCCCCCCC(=O)Nc1ccc(O)c2ccccc12
COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|
CC(=O)n1cc(C(=O)Nc2cccc(c2)C(O)=O)c2ccccc12
CC(=O)n1cc(C(=O)Nc2cc(COC3CCCCO3)cc(c2)C(O)=O)c2ccccc12
CC(=O)n1cc(C(=O)Nc2cc(cc(c2)-c2ccco2)C(O)=O)c2ccccc12
COc1ccc2n(cc(C(=O)Nc3cc(cc(c3)-c3ccco3)C(O)=O)c2c1)C(C)=O
COc1ccc2n(cc(C(=O)Nc3cc(cc(-c4cnn(C)c4)c3F)C(O)=O)c2c1)C(C)=O
COc1ccc2n(cc(C(=O)Nc3cc(cc(c3)-c3cnn(C)c3)C(O)=O)c2c1)C(C)=O
CC(=O)n1cc(C(=O)Nc2cc(ccc2F)C(O)=O)c2ccccc12
[H][C@]12C[C@@]3([H])C(=C)[C@@H](O)CC[C@]3(C)[C@@]34CC[C@](C)([C@]([H])(CCC1=O)[C@H](C)CC[C@@H](C)C(C)C)[C@@]23O4 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6@H](-[#6][C@]12[#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)=[#6]1-[#8])[#6]2=O)-[#6](-[#6])=[#6] |r,c:37,TLB:40:39:26.37.24:15.8.9|
[H][C@@]12C[C@]3(O)C(=O)CC[C@]([H])([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CC[C@]5(O[C@@]345)[C@@]1(C)CC[C@H](O)C2=C |r|
[H][C@]12CC[C@@]3(C)C1=C(C[C@@]1([H])C(=C)[C@@H](O)CC[C@]21C)C(=O)CC[C@]3([H])[C@H](C)CC[C@@H](C)C(C)C |r,c:7|
[H][C@@]12CC[C@]3(C)[C@]4(CCC(=O)[C@]([H])(C[C@@]5([H])C(=C)[C@@H](O)CC[C@]15C)[C@@]23O4)[C@H](C)CC[C@@H](C)C(C)C |r|
[H][C@@]12C[C@@]3([H])C(=C)[C@@H](O)CC[C@]3(C)C3=C1[C@](C)(CC3)[C@]([H])(CCC2=O)[C@H](C)CC[C@@H](C)C(C)C |r,c:14|
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 |(86.87,-46.33,;85.61,-45.43,;84.21,-46.07,;84.06,-47.6,;82.66,-48.24,;81.41,-47.34,;81.56,-45.82,;82.95,-45.18,;83.09,-43.65,;81.94,-42.63,;80.43,-42.97,;82.55,-41.22,;84.08,-41.36,;84.42,-42.87,;85.83,-43.48,;80.17,-48.26,;80.66,-49.73,;79.89,-51.06,;80.66,-52.39,;79.89,-53.73,;82.21,-52.4,;82.97,-51.06,;84.51,-51.06,;85.28,-52.39,;84.66,-53.8,;85.81,-54.83,;87.14,-54.06,;86.82,-52.56,;87.85,-51.41,;85.64,-56.36,;84.75,-57.61,;86.28,-57.77,;82.2,-49.71,)|
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)|
[#6]-[#8]-c1ccc(cc1)S(=O)(=O)[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:21,t:15|
CC1=NN(C(=O)C1=Cc1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1
CC(=O)N1c2ccc(cc2N(C[C@@H]1C3CC3)Cc4ccccc4CO)C5=CCNCC5
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)CCCNC(=O)c5nc(NC(=O)c6nc(NC(=O)c7cc(NC(=O)c8nc(NC(=O)CCNC(=O)COCCOCCNC(=O)c9ccc(cc9)N9N=C(C)\C(=C/c%10ccc(o%10)-c%10cc(C)c(C)cc%10[N+]([O-])=O)C9=O)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C |t:86|
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)CCCNC(=O)c5cc(NC(=O)c6nc(NC(=O)c7nc(NC(=O)c8cc(NC(=O)CCNC(=O)COCCOCCNC(=O)c9ccc(cc9)N9N=C(C)\C(=C/c%10ccc(o%10)-c%10cc(C)c(C)cc%10[N+]([O-])=O)C9=O)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C |t:86|
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)CCCNC(=O)c5cc(NC(=O)c6nc(NC(=O)c7nc(NC(=O)c8cc(NC(=O)CCNC(=O)CCNC(=O)c9ccc(cc9)N9N=C(C)\C(=C/c%10ccc(o%10)-c%10cc(C)c(C)cc%10[N+]([O-])=O)C9=O)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C |t:81|
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)CCCNC(=O)c5cc(NC(=O)c6nc(NC(=O)c7nc(NC(=O)c8cc(NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)c9ccc(cc9)N9N=C(C)\C(=C/c%10ccc(o%10)-c%10cc(C)c(C)cc%10[N+]([O-])=O)C9=O)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C |t:91|
CC1=NN(C(=O)\C1=C\c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
CCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O
CN1C(=S)NC(=O)\C(=C/c2c[nH]c3ccccc23)C1=O
CN1C(=S)NC(=O)\C(=C/c2ccc(o2)N2CCOCC2)C1=O
Cc1ccc(cc1Cl)N1C(=S)NC(=O)\C(=C\C=C\c2ccco2)C1=O
CC(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(N)=O |r|
C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O
CN1C(=S)NC(=O)\C(=C/c2ccccc2)C1=O
CN1C(=S)NC(=O)\C(=C/c2ccncc2)C1=O
CN1C(=S)NC(=O)\C(=C/c2cc(C)n(C)c2C)C1=O
Fc1ccc(cc1)-n1sc2ncccc2c1=O
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(=O)NCC#C |t:1|
Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
CNC(=O)Nc1ccc2c(CC[C@@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)c1 |r|
CCC[C@@H]1CCc2ccccc2CN1C(=O)CN1C(=O)O[C@@]2(CCc3cc(NC(=O)NC)ccc23)C1=O |r|
COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O
Cc1ccc(cc1Cl)N1C(=S)NC(=O)\C(=C/C=C/c2ccco2)C1=O
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccccc4CC[C@H]3C)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@]22OC(=O)N(CC(=O)N3Cc4ccccc4CC[C@H]3C)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccccc4CC[C@@H]3C)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3CCCc4ccccc4C3)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccccc4CC[C@H]3C(C)C)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccc(F)cc4CC[C@H]3C)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccc(F)cc4CC[C@H]3C3CC3)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccc(F)cc4CC[C@H]3C(F)(F)F)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccccc4OC[C@H]3C)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)c1 |r|
Cn1cc(cn1)-c1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)c1 |r|
Cn1cc(cn1)-c1ccc2c(CC[C@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)c1 |r|
Cn1cc(cn1)-c1cc2CC[C@]3(NC(=O)N(CC(=O)N4Cc5cc(F)ccc5OC[C@H]4C(F)(F)F)C3=O)c2cn1 |r|
Cn1cc(cn1)-c1ccc2c(CC[C@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)n1 |r|
Cn1cc(cn1)-c1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccccc4CC[C@H]3C(F)(F)F)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)c1 |r|
Cn1cc(cn1)-c1cnc2c(CC[C@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccccc4CC[C@@H]3C(F)(F)F)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccccc4CC[C@H]3C3CC3)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccccc4C[C@H]3C)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@]22OC(=O)N(CC(=O)N3Cc4ccccc4CC[C@H]3C(F)(F)F)C2=O)c1 |r|
Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)|
CC(C)(C)c1ccc(cc1)-c1cc(COCC2CCNCC2)sc1-c1ccc(cc1)C(C)(C)C
CC(C)(C)c1ccc(cc1)-c1sc(cc1-c1ccc(CN)cc1)C(=O)NCC1CCNCC1
CC(C)c1ccc(cc1)-c1cc(CNCC2CCNCC2)sc1-c1ccc(cc1)C(C)C
C(NCc1cc(c(s1)-c1cccc(c1)-c1ccccc1)-c1cccc(c1)-c1ccccc1)C1CCNCC1
CC(C)(C)c1ccc(cc1)-c1cc(CN2CCOCC2)sc1-c1ccc(cc1)C(C)(C)C
CC(C)(C)c1ccc(cc1)-c1cc(CNCCCCCCN)sc1-c1ccc(cc1)C(C)(C)C
CC(C)(C)c1ccc(cc1)-c1cc(CNC2CCNCC2)sc1-c1ccc(cc1)C(C)(C)C
C(NCc1cc(c(s1)-c1ccc(cc1)-c1ccoc1)-c1ccc(cc1)-c1ccoc1)C1CCNCC1
COc1ccc(cc1)-c1ccc(cc1)-c1cc(CNCC2CCNCC2)sc1-c1ccc(cc1)-c1ccc(OC)cc1
CC(C)(C)c1ccc(cc1)-c1sc(cc1-c1ccoc1)C(=O)NCC1CCNCC1
CC(C)(C)c1ccc(cc1)-c1sc(cc1-c1ccc(CN2CCNCC2)cc1)C(=O)NCC1CCNCC1
O=C(NCC1CCNCC1)c1cc(c(s1)-c1ccc(cc1)-c1ccoc1)-c1ccc(CN2CCCCC2)cc1
COc1ccc(cc1)-c1ccc(cc1)-c1cc(sc1-c1ccc(cc1)-c1ccc(OC)cc1)C(=O)NCC1CCNCC1
CC(C)(C)c1ccc(cc1)-c1cc(sc1-c1ccc(cc1)C(C)(C)C)C(=O)NCC1CCNCC1
CN(CC1CCNCC1)Cc1cc(c(s1)-c1ccc(cc1)C(C)(C)C)-c1ccc(cc1)C(C)(C)C
CC(C)(C)c1ccc(cc1)-c1cc(CN(CC2CCNCC2)C=O)sc1-c1ccc(cc1)C(C)(C)C
CC(C)(C)c1ccc(cc1)-c1sc(CNCC2CCNCC2)cc1-c1ccc(cc1)-c1ccoc1
C(NCc1cc(c(s1)-c1ccc(CN2CCCCC2)cc1)-c1ccc(cc1)-c1ccoc1)C1CCNCC1
CC(C)(C)c1ccc(cc1)-c1cc(CNCC2CCNCC2)sc1-c1ccc(CN)cc1
OCc1ccc(cc1)-c1cc(CNCC2CCNCC2)sc1-c1ccc(CO)cc1
C(NCc1cc(-c2ccoc2)c(s1)-c1ccoc1)C1CCNCC1
CC(C)(C)c1ccc(cc1)-c1cc(CNCC2CCNCC2)oc1-c1ccc(cc1)C(C)(C)C
C(NCc1cc(c(o1)-c1ccc(cc1)-c1ccoc1)-c1ccc(cc1)-c1ccoc1)C1CCNCC1
CC(C)(C)c1ccc(cc1)-c1nc(sc1-c1ccc(cc1)C(C)(C)C)C(=O)NCC1CCNCC1
COc1ccc(cc1OC)-c1cc(CNCC2CCNCC2)sc1-c1ccc(OC)c(OC)c1
CC(C)(C)c1ccc(cc1)-c1cc(CN2CCNCC2)sc1-c1ccc(cc1)C(C)(C)C
CC(C)(C)c1ccc(cc1)-c1cc(CNCC2CCNCC2)sc1-c1ccc(cc1)C(C)(C)C
CC(C)(C)c1ccc(cc1)-c1sc(cc1-c1cccnc1)C(=O)NCC1CCNCC1
CC(C)(C)c1ccc(cc1)-c1sc(cc1-c1ccc(cc1)-c1ccoc1)C(=O)NCC1CCNCC1
CCCCc1ccc(cc1)-c1cc(CNCC2CCNCC2)sc1-c1ccc(CCCC)cc1
CC(C)(C)c1ccc(cc1)-c1sc(CNCC2CCNCC2)cc1-c1ccc(CN)cc1
CC(C)(C)c1ccc(cc1)-c1sc(CNCC2CCNCC2)c(Br)c1-c1ccc(cc1)C(C)(C)C
CC(C)(C)c1ccc(cc1)-c1nc(CNCC2CCNCC2)sc1-c1ccc(cc1)C(C)(C)C
CC(C)(C)c1ccc(cc1)-c1cc(CNCCCN)sc1-c1ccc(cc1)C(C)(C)C
CC(C)(C)c1ccc(cc1)-c1cc(CNCCC2CCNCC2)sc1-c1ccc(cc1)C(C)(C)C
O=C(NCC1CCNCC1)c1cc(c(s1)-c1ccc(cc1)-c1ccoc1)-c1ccc(cc1)-c1ccoc1
NCc1ccc(cc1)-c1cc(CNCC2CCNCC2)sc1-c1ccc(CN)cc1
CCC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:2|
CC1=NN(C(=O)\C1=C/c1ccc([nH]1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cccc2CCC(=O)c12)c1cc(F)c(O)c(F)c1 |t:1|
Cc1cc(Cc2ccc3n(ncc3c2)-c2ccc(cc2)C(O)=O)c(cc1C)[N+]([O-])=O
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)S(C)(=O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)-c1nn[nH]n1 |t:1|
Cc1cc(-c2ccc(\C=C3/C(=O)N(N=C3C3CC3)c3ccc(cc3)C(O)=O)o2)c(cc1C)[N+]([O-])=O |c:13|
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccccc1OC(F)(F)F)c1ccc(cc1)C(O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccccc1P(C)(C)=O)c1ccc(cc1)C(O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1ccc(s1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccccc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
Cc1cc(-c2ccc(\C=C3/C(=O)N(N=C3C3CC3)c3ccc(cc3)C(O)=O)s2)c(cc1C)C(F)(F)F |c:13|
Cc1cc(-c2ccc(\C=C3\NC(=O)N(C3=O)c3ccc(cc3)C(O)=O)o2)c(cc1C)[N+]([O-])=O
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1C(F)(F)F)c1cc(F)c(O)c(F)c1 |t:1|
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccccc1OC(F)(F)F)c1cc(F)c(O)c(F)c1 |t:1|
CC1=NN(C(=O)C1CC(=O)Nc1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
CC1=NN(C(=O)C1CCC(=O)Nc1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
Cc1cc(-c2ccc(\C=C(/C#N)C(=O)Nc3ccc(cc3)C(O)=O)o2)c(cc1C)[N+]([O-])=O
Cc1cc(C(=O)c2ccc3n(ccc3c2)-c2ccc(cc2)C(O)=O)c(cc1C)[N+]([O-])=O
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1C(F)(F)F)c1ccc(cc1)C(O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1cc(F)c(O)c(F)c1 |t:1|
Cc1cc(C(=O)c2ccc3n(ncc3c2)-c2ccc(cc2)C(O)=O)c(cc1C)[N+]([O-])=O
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccccc1C(F)F)c1ccc(cc1)C(O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C#N |t:1|
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)P(O)(O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cccc2CCC(=O)c12)c1ccc(cc1)C(O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1cnc(s1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
Cc1cc(-c2ccc(\C=C3\SC(=O)N(C3=O)c3ccc(cc3)C(O)=O)o2)c(cc1C)[N+]([O-])=O
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccccc1C(F)F)c1cc(F)c(O)c(F)c1 |t:1|
C\C(=C1/C(C)=NN(C1=O)c1ccc(cc1)C(O)=O)c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O |c:4|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N1CC\C=C/CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r,c:29|
CC(C)C[C@H](N1CCN[C@@H](CC(C)C)C1=O)C(=O)N1CCN([C@@H](CCC(N)=O)C(N)=O)C(=O)[C@@H]1C |r|
Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccn2)n2cc[nH]c(=O)c12
CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O
CCS(=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O
Cc1cc(-c2cc(CS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12
Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12
CN(C)S(=O)(=O)c1cnc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O
CCS(=O)(=O)Cc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O
CN(C)S(=O)(=O)c1ccc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O
Cc1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(=O)(=O)NC(C)(C)C)n2cc[nH]c(=O)c12
Cc1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)n2cc[nH]c(=O)c12
[H][C@@]1(CC(=O)Nc2ccc(O)cc2)N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:14|
Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)n2CCNC(=O)c12
Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OCC(C)(C)C)n2cc[nH]c(=O)c12
Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12
Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(Cl)cc2)n2cc[nH]c(=O)c12
Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Sc2ccccc2)n2cc[nH]c(=O)c12
Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)n2cc[nH]c(=O)c12
Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OCC2CC2)n2cc[nH]c(=O)c12
Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)n2cc[nH]c(=O)c12
Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Nc2ccccc2)n2cc[nH]c(=O)c12
Cc1cc(-c2cc(cnc2Oc2ccc(F)cc2F)S(=O)(=O)NC(C)(C)C)n2cc[nH]c(=O)c12
Cc1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12
CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O
Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12
Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Cc2ccccc2)n2cc[nH]c(=O)c12
Cc1cc(-c2cc(cnc2Oc2ccc(F)cc2F)S(C)(=O)=O)n2cc[nH]c(=O)c12
[#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]23[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c4ccc(c(c4)S([#6])(=O)=O)S([#6])(=O)=O)=[#6]2-[#8]C1([#6])[#6])[#6]3=O |r,c:43,THB:10:9:48:26.24.43|
COc1ccc2CC3c4cc5OCOc5cc4CCC[N+]3(Cc3ccccc3)Cc2c1OC
[#6]-[#6](-[#6])-c1ccc(cc1-[#8])-[#6](=O)-[#6]-1=[#6]2-[#8]C([#6])([#6])[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6][C@@]22[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-1=O)[#6]2=O |r,c:13,THB:28:27:44:12.42.13|
c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O
CC(C)C1=CC2=CC(=O)[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C
CCCCC[C@H](O)CC[C@@H]1[C@@H](C\C=C\CCCC(O)=O)C=CC1=O |r,c:20|
[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](\[#6](-[#8])=O)-[#6](-[#8])=O
NC(=N)NCCC[C@@H]1NC(=O)\C(NC1=O)=C/c1ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H](CC(O)=O)C(O)=O)C(O)=O)C(O)=O)c1 |r|
COc1cc2CCC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC
COc1ccc2cc3-c4cc(OC)c(OC)cc4CCC[n+]3cc2c1OCc1ccccc1
COc1cc2CCC[N+]3(Cc4ccccc4)Cc4c(CC3c2cc1OC)ccc(OC)c4OC
COc1ccc2cc3-c4cc5OCOc5cc4CCC[n+]3cc2c1OC
CCCCC[C@H](O)C\C=C1/[C@@H](C\C=C\CCCC(O)=O)C=CC1=O |r,c:20|
CC1=CC(=O)c2c(cccc2O)C1=O
CCOC(=O)c1cc2cc(OCCCCCNCC#C)ccc2nc1C
COc1cc2CC3c4cc(OC)c(OC)cc4CCC[N+]3(Cc3ccccc3)Cc2cc1OC
[#6]-[#8]-c1ccc(cc1-[#8])-[#6](=O)-[#6]-1=[#6]2-[#8]C([#6])([#6])[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6][C@@]22[#6]-[#6@@H](-[#6]\[#6]=[#6](/[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-1=O)[#6]2=O |r,c:12,THB:27:26:43:11.41.12|
COc1cc2CCC[n+]3cc4c(OCc5ccc(cc5)[N+]([O-])=O)c(OC)ccc4cc3-c2cc1OC
CC1CN(C(C)=O)c2ccc(cc2S1)S(=O)(=O)NCc1ccccc1
COc1cc2CCC[n+]3cc4cc(OC)c(OC)cc4cc3-c2cc1OC
COc1cc2CC3c4cc5OCOc5cc4CCC[N+]3(Cc3ccccc3)Cc2cc1OC
NC(=N)NCCC[C@@H]1NC(=O)\C(NC1=O)=C/c1ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(O)=O)C(O)=O)C(O)=O)c1 |r|
CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C
C[C@@H]1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)OC)C
CN1C(=O)[C@@]2(Cc3ccc(C[C@@]45SS[C@@](CO)(N(C)C4=O)C(=O)N5C)cc3)SS[C@]1(CO)C(=O)N2C |r|
CC(C)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(O)=O |r|
CCCC[C@H](N1CCN[C@@H](CC(C)C)C1=O)C(=O)N1CCN([C@@H](CCC(N)=O)C(N)=O)C(=O)[C@@H]1C |r|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)N1C\C=C\CCN[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r,t:23|
CC(C)COc1cc(ccc1N)C(=O)Nc1ccc(cc1OCC(C)C)C(=O)Nc1ccc(cc1OC(C)C)C(O)=O
CN1C(=O)[C@@]2(Cc3ccc(CCc4ccc(C[C@]56SS[C@](CO)(N(C)C5=O)C(=O)N6C)cc4)cc3)NC(=O)[C@]1(CO)SS2 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O |r|
CC(C)COc1cc(ccc1NC(=O)c1ccc(NC(=O)c2ccc(N)c(OC(C)C)c2)c(OCC(C)C)c1)C(O)=O
CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O
NS(=O)(=O)c1ccc(CCNC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1
O=C(C(NCCc1ccccc1)c1ccccc1)c1c[nH]c2ccccc12
Cn1cc(cn1)-c1ccc2c(c[nH]c2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
Cn1cc(cn1)-c1ccc2c(c[nH]c2n1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
Cn1cc(cn1)-c1ccc2c(n[nH]c2c1)C(=O)C(NCCc1ccc(cc1)C#N)c1ccccc1
Cn1cc(cn1)-c1ccn2c(cnc2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
Cc1nc(C(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)c2ccc(cn12)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1ccc2c(cnn2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2cccc(F)c2C1=O |r,wU:7.6,wD:10.10,(51.72,-32.35,;52.07,-33.85,;50.87,-34.83,;49.54,-34.06,;48.21,-34.83,;48.21,-36.37,;46.88,-37.14,;46.88,-38.67,;48.21,-39.44,;48.21,-40.98,;46.87,-41.74,;46.87,-43.28,;45.55,-40.97,;45.55,-39.44,;49.54,-37.14,;50.88,-36.37,;52.1,-37.32,;53.61,-36.96,;54.5,-38.23,;56.04,-38.09,;56.69,-36.68,;55.8,-35.42,;56.44,-34.03,;54.26,-35.56,;53.59,-34.17,;54.53,-32.96,)|
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
CCc1c(c([nH]c1C(=O)NC)C)C(=O)C
CCc1c(c([nH]c1C(=O)NCc2c(ccc3c2c(ccc3)O)O)C)C(=O)C
CCNC(=O)c1ccc2c(c[nH]c2c1)C(=O)[C@H](NC[C@@H](C)c1ccc(cc1)C#N)c1ccccc1 |r|
COc1cc2CCC3Nc4cc(O)c(O)cc4CC3c2cc1OC
COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC
[H][C@]12CC[C@@H](O)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cccc(OC)c31)C2 |r|
FC(F)(F)c1ccc(Cn2sc3ncccc3c2=O)cc1
CC(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)[C@H](O)CCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2cncnc12)C(N)=O
COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1
COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1Cl
[H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)N3CCN(CC3)c3ccc(cc3)-c3nc4ccc(cn4c3NC3CCCCC3)-c3c(C)noc3C)[C@@]1([H])NC(=O)N2 |r|
COc1ccc2CCCN(CCC\C=C\c3cccc4NC(=O)C[C@H](C)Nc34)c2c1 |r|
C[C@@H]1CC(=O)Nc2cccc(c2N1)/C=C/CCCN3CCCc4c3cc(cc4)OC
Cc1ccc(cc1C)N1CCN(Cc2ccc(o2)-c2cccc(c2)C(O)=O)C1=O
Cc1ccc(cc1C)N1CC(=O)C(Cc2ccc(o2)-c2cccc(c2)C(O)=O)C1=O
Cc1ccc(cc1C)N1CC(=O)N(Cc2ccc(o2)-c2cccc(c2)C(O)=O)C1=O
Cc1ccc(cc1C)N1C(=O)CN(Cc2ccc(o2)-c2cccc(c2)C(O)=O)C1=O
CC1CN(C(=O)N1Cc1ccc(o1)-c1cccc(c1)C(O)=O)c1ccc(C)c(C)c1
COC1=C(Cc2ccc(o2)-c2cccc(c2)C(O)=O)C(=O)N(C1)c1ccc(C)c(C)c1 |c:2|
CC1=NN(C(=O)\C1=C\c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O)c1cccc(Cl)c1 |t:1|
OC(=O)c1cccc(c1)-c1ccc(CN2CCN(C2=O)c2ccc3ccccc3c2)o1
Cc1ccc(cc1C)N1CCN(Cc2ccc(s2)-c2cccc(c2)C(O)=O)C1=O
COC1=C(Cc2ccc(s2)-c2cccc(c2)C(O)=O)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|
COC1=C(Cc2ccc(s2)-c2cncc(c2)C(O)=O)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|
COC1=C(Cc2ccc(s2)-c2cn(C)cc(C(O)=O)c2=O)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|
CCn1cc(C(O)=O)c(=O)c(c1)-c1ccc(CC2=C(CN(C2=O)c2ccc3ccccc3c2)OC)s1 |t:18|
COC1=C(Cc2ccc(s2)-c2cn(cc(C(O)=O)c2=O)C(C)C)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|
COC1=C(Cc2ccc(s2)-c2cn(Cc3ccccc3)cc(C(O)=O)c2=O)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4cc(F)c(F)cc4CC[C@H]3C3CC3)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CCC[C@@]22OC(=O)N(CC(=O)N3Cc4ccc(F)cc4CC[C@H]3C3CC3)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4sccc4OC[C@H]3C3CC3)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4sc(C)c(C)c4OC[C@H]3C(F)(F)F)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CCC[C@@]22OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)c1 |r|
CNC(=O)Nc1cc2CC[C@@]3(OC(=O)N(CC(=O)N4Cc5ccc(F)cc5CC[C@H]4C4CC4)C3=O)c2cc1F |r|
CNC(=O)Nc1ccc2c(COC[C@@]22OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(OCC[C@@]22OC(=O)N(CC(=O)N3Cc4ccc(F)cc4CC[C@H]3C3CC3)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4cccnc4CC[C@H]3C3CC3)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ccncc4CC[C@H]3C3CC3)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4cnccc4CC[C@H]3C3CC3)C2=O)c1 |r|
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4ncccc4CC[C@H]3C3CC3)C2=O)c1 |r|
Cc1nnc2n1nc(cc2NC3CCN(CC3)CC(C)(C)F)C(=O)N4[C@H]5Cc6ccccc6[C@@H]4[C@H](NC5=O)C(C)C
CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
COc1cc2cc3-c4cc5OCOc5cc4CCC[n+]3cc2cc1OC
C(Oc1cnc(-c2ccccc2)c(c1)-c1ccccc1)C1CCNCC1
Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(CO)cc1
Brc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(Br)cc1
NCCCCOc1cnc(-c2ccc(Br)cc2)c(n1)-c1ccc(Br)cc1
CNCCCCOc1cnc(-c2ccc(Br)cc2)c(n1)-c1ccc(Br)cc1
NCCCOc1cnc(-c2ccc(Br)cc2)c(n1)-c1ccc(Br)cc1
CN(C)CCCOc1cnc(-c2ccc(Br)cc2)c(n1)-c1ccc(Br)cc1
NCCOc1cnc(-c2ccc(Br)cc2)c(n1)-c1ccc(Br)cc1
CNCCOc1cnc(-c2ccc(Br)cc2)c(n1)-c1ccc(Br)cc1
CC(=O)NCCOc1cnc(-c2ccc(Br)cc2)c(n1)-c1ccc(Br)cc1
Brc1ccc(cc1)-c1ncc(OCC2CCNC2)nc1-c1ccc(Br)cc1
OC(=O)c1cnc(-c2ccc(Br)cc2)c(n1)-c1ccc(Br)cc1
Ic1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(I)cc1
Clc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(Cl)cc1
Fc1cc(ccc1Br)-c1ncc(OCC2CCNCC2)nc1-c1ccc(Br)c(F)c1
Brc1ccc(cc1Br)-c1ncc(OCC2CCNCC2)nc1-c1ccc(Br)c(Br)c1
Brc1cccc(c1)-c1ncc(OCC2CCNCC2)nc1-c1cccc(Br)c1
COc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(OC)cc1
FC(F)(F)c1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C(F)(F)F
N#Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C#N
Brc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C#N
Brc1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(cc1)C#N
CCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CC)cc1
CC(C)(C)c1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C(C)(C)C
OCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CO)cc1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CN)cc1
CN(C)Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CN(C)C)cc1
C(Oc1cnc(-c2ccc(cc2)-c2ccoc2)c(n1)-c1ccc(cc1)-c1ccoc1)C1CCNCC1
C(Oc1cnc(-c2ccc(cc2)-c2ccccn2)c(n1)-c1ccc(cc1)-c1ccccn1)C1CCNCC1
C(Oc1cnc(-c2ccc(cc2)-c2ccncc2)c(n1)-c1ccc(cc1)-c1ccncc1)C1CCNCC1
Nc1ccc(cc1)-c1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccc(N)cc1
CO[C@H]1CC[C@@H](CC1)n1c(CCc2ccc(OC)c(Cl)c2)nc2cc(ccc12)-c1c(C)noc1C |r,wU:5.8,wD:2.1,(-.59,6.22,;.5,5.13,;.1,3.65,;-1.38,3.25,;-1.78,1.76,;-.69,.67,;.8,1.07,;1.19,2.56,;-1.09,-.82,;-.21,-2.04,;1.33,-2.04,;2.1,-3.37,;3.64,-3.37,;4.41,-4.71,;5.95,-4.7,;6.71,-3.37,;8.25,-3.37,;9.02,-2.04,;5.94,-2.04,;6.71,-.71,;4.41,-2.04,;-1.13,-3.28,;-2.59,-2.82,;-3.92,-3.59,;-5.25,-2.83,;-5.25,-1.29,;-3.92,-.52,;-2.59,-1.28,;-6.59,-3.6,;-7.99,-2.98,;-8.39,-1.49,;-9.02,-4.12,;-8.25,-5.45,;-6.75,-5.13,;-5.66,-6.22,)|
COc1ccc(CCc2nc3cc(ccc3n2[C@H]2CC[C@H](O)CC2)-c2c(C)noc2C)cc1Cl |r,wU:17.18,wD:20.22,(9.02,-1.5,;8.25,-2.83,;6.71,-2.83,;5.95,-4.16,;4.41,-4.17,;3.64,-2.83,;2.1,-2.83,;1.33,-1.49,;-.21,-1.49,;-1.13,-2.74,;-2.59,-2.28,;-3.92,-3.05,;-5.25,-2.29,;-5.25,-.74,;-3.92,.03,;-2.59,-.74,;-1.09,-.27,;-.69,1.21,;-1.78,2.3,;-1.38,3.79,;.1,4.19,;.5,5.68,;1.19,3.1,;.8,1.61,;-6.59,-3.06,;-7.99,-2.43,;-8.39,-.94,;-9.02,-3.58,;-8.25,-4.91,;-6.75,-4.59,;-5.66,-5.68,;4.41,-1.49,;5.94,-1.49,;6.71,-.16,)|
COc1ccc(CCc2nc3cc(ccc3n2C2CCC(F)(F)CC2)-c2c(C)noc2C)cc1Cl
COc1ccc(CCc2nc3cc(ccc3n2C2CCN(CC2)S(C)(=O)=O)-c2c(C)noc2C)cc1Cl
COc1ccc(CCc2nc3cc(ccc3n2C2CCN(CC2)C(C)=O)-c2c(C)noc2C)cc1Cl
COc1ccc(CCc2nc3cc(ccc3n2[C@H]2C[C@H](O)C2)-c2c(C)noc2C)cc1Cl |r,wU:17.18,wD:19.21,(9.02,-1.07,;8.25,-2.4,;6.71,-2.4,;5.95,-3.73,;4.41,-3.74,;3.64,-2.4,;2.1,-2.4,;1.33,-1.07,;-.21,-1.07,;-1.13,-2.32,;-2.59,-1.86,;-3.92,-2.62,;-5.25,-1.86,;-5.25,-.32,;-3.92,.45,;-2.59,-.32,;-1.09,.15,;-.69,1.64,;-1.48,3,;-.14,3.77,;.26,5.25,;.64,2.41,;-6.59,-2.63,;-7.99,-2.01,;-8.39,-.52,;-9.02,-3.15,;-8.25,-4.48,;-6.75,-4.16,;-5.66,-5.25,;4.41,-1.07,;5.94,-1.07,;6.71,.26,)|
COc1ccc(CCc2nc3cc(ccc3n2[C@H]2CC[C@@H](CC2)C(F)(F)F)-c2c(C)noc2C)cc1Cl |r,wU:17.18,wD:20.25,(9.02,-2.24,;8.25,-3.57,;6.71,-3.57,;5.95,-4.9,;4.41,-4.91,;3.64,-3.57,;2.1,-3.57,;1.33,-2.24,;-.21,-2.24,;-1.13,-3.48,;-2.59,-3.02,;-3.92,-3.79,;-5.25,-3.03,;-5.25,-1.48,;-3.92,-.72,;-2.59,-1.48,;-1.09,-1.02,;-.69,.47,;-1.78,1.56,;-1.38,3.05,;.1,3.45,;1.19,2.36,;.8,.87,;.5,4.93,;-.59,6.02,;1.99,5.33,;.9,6.42,;-6.59,-3.8,;-7.99,-3.17,;-8.39,-1.69,;-9.02,-4.32,;-8.25,-5.65,;-6.75,-5.33,;-5.66,-6.42,;4.41,-2.24,;5.94,-2.24,;6.71,-.9,)|
COc1ccc(CCc2nc3cc(ccc3n2C2CC(C)(C)OC(C)(C)C2)-c2c(C)noc2C)cc1Cl
Cc1noc(C)c1-c1ccc2n([C@H]3CC[C@H](O)CC3)c(nc2c1)C1CC1c1ccccc1 |r,wU:12.12,wD:15.16,(-6.75,-.94,;-6.35,-2.43,;-7.38,-3.57,;-6.61,-4.91,;-5.11,-4.59,;-4.02,-5.68,;-4.95,-3.06,;-3.61,-2.29,;-3.61,-.74,;-2.28,.03,;-.95,-.74,;.55,-.27,;.95,1.21,;-.14,2.3,;.26,3.79,;1.75,4.19,;2.14,5.68,;2.84,3.1,;2.44,1.61,;1.43,-1.49,;.51,-2.74,;-.95,-2.28,;-2.28,-3.05,;2.97,-1.49,;4.31,-2.26,;4.3,-.72,;5.07,.61,;4.3,1.94,;5.07,3.27,;6.61,3.27,;7.38,1.95,;6.62,.61,)|
COc1ccc2c(Cc3nc4cc(ccc4n3[C@H]3CC[C@H](O)CC3)-c3c(C)noc3C)cc(=O)oc2c1 |r,wU:17.18,wD:20.22,(9.03,-.91,;8.25,-2.25,;6.72,-2.25,;5.95,-.92,;4.41,-.92,;3.64,-2.25,;2.1,-2.25,;1.33,-.92,;-.21,-.92,;-1.13,-2.16,;-2.59,-1.7,;-3.92,-2.47,;-5.25,-1.71,;-5.25,-.17,;-3.92,.6,;-2.59,-.16,;-1.09,.3,;-.69,1.79,;-1.78,2.88,;-1.38,4.37,;.1,4.77,;.5,6.25,;1.19,3.68,;.79,2.19,;-6.59,-2.48,;-8,-1.86,;-8.39,-.37,;-9.03,-3,;-8.26,-4.33,;-6.75,-4.01,;-5.66,-5.1,;1.33,-3.59,;2.1,-4.92,;1.33,-6.25,;3.64,-4.92,;4.41,-3.59,;5.95,-3.58,)|
CO[C@H]1CC[C@@H](CC1)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@@H]1CC(=O)N1c1ccc(OC)c(Cl)c1 |r,wU:5.8,wD:2.1,24.27,(1.39,8.14,;2.47,7.05,;2.08,5.56,;.59,5.16,;.19,3.67,;1.28,2.59,;2.77,2.98,;3.16,4.47,;.88,1.1,;1.76,-.12,;.84,-1.37,;-.62,-.91,;-1.95,-1.68,;-3.28,-.92,;-3.28,.63,;-1.95,1.4,;-.62,.63,;-4.62,-1.69,;-6.02,-1.06,;-6.42,.43,;-7.05,-2.2,;-6.28,-3.54,;-4.78,-3.22,;-3.69,-4.31,;3.3,-.12,;4.41,.99,;5.5,-.1,;7.04,-.1,;4.39,-1.21,;4.39,-2.75,;3.05,-3.52,;3.06,-5.06,;4.39,-5.83,;4.39,-7.37,;5.72,-8.14,;5.72,-5.06,;7.05,-5.83,;5.72,-3.52,)|
CO[C@H]1CC[C@@H](CC1)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@H]1CC(=O)N1c1ccc(OC)c(Cl)c1 |r,wU:5.8,24.27,wD:2.1,(1.39,8.14,;2.47,7.05,;2.08,5.56,;.59,5.16,;.19,3.67,;1.28,2.59,;2.77,2.98,;3.16,4.47,;.88,1.1,;1.76,-.12,;.84,-1.37,;-.62,-.91,;-1.95,-1.68,;-3.28,-.92,;-3.28,.63,;-1.95,1.4,;-.62,.63,;-4.62,-1.69,;-6.02,-1.06,;-6.42,.43,;-7.05,-2.2,;-6.28,-3.54,;-4.78,-3.22,;-3.69,-4.31,;3.3,-.12,;4.41,.99,;5.5,-.1,;7.04,-.1,;4.39,-1.21,;4.39,-2.75,;3.05,-3.52,;3.06,-5.06,;4.39,-5.83,;4.39,-7.37,;5.72,-8.14,;5.72,-5.06,;7.05,-5.83,;5.72,-3.52,)|
COc1ccc(cc1)C1(CCOCC1)C(=O)N1CCOCC(Cc2cccc3[nH]ncc23)C1
COc1ccc(cc1)C1(CCCCC1)C(=O)N1CCOCC(Cc2cccc3[nH]ncc23)C1
COc1ccc(cc1)C1(CCCC1)C(=O)N1CCOCC(Cc2cccc3[nH]ncc23)C1
COc1ccc(cc1)C1(CCCCC1)C(=O)N(C)CC(=O)Nc1cccc2[nH]ncc12
COc1ccc(cc1)C1(CCCC1)C(=O)N(C)[C@H](C)C(=O)Nc1cccc2[nH]ncc12 |r|
COc1ccc(cc1)C1(CCCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
COc1ccc(cc1)C2(CCCC2)C(=O)N3CCC[C@@H]3C(=O)Nc4cccc5c4cn[nH]5
COc1ccc(cc1)C1(CCCC1)C(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
COc1ccc(cc1)C1(CCCC1)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
COc1ccc(cc1)C1(CCCC1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
COc1ccc(cc1)C2(CCCC2)C(=O)N3CS(=O)(=O)C[C@@H]3C(=O)Nc4cccc5c4cn[nH]5
C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)C(=O)N)Nc3ncc(cn3)Cl
COC(=O)C1CC2CSCN2C11C(=O)Nc2ccc(NCc3ccc(cc3OCC(O)=O)[N+]([O-])=O)cc12
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCCC2)c2ccc(Cl)cc2)cc1 |r|
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCCC2)c2ccccc2)cc1 |r|
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCCC2)c2cccc(Cl)c2)cc1 |r|
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCC2)c2ccc(Cl)cc2)cc1 |r|
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCCCC2)c2ccc(Cl)cc2)cc1 |r|
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C(C)(C)c2ccc(Cl)cc2)cc1 |r|
COc1ccc(NC(=O)[C@H]2CCN2C(=O)C2(CCCC2)c2ccc(Cl)cc2)cc1 |r|
COc1ccc(NC(=O)[C@H]2CCCCN2C(=O)C2(CCCC2)c2ccc(Cl)cc2)cc1 |r|
Oc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCCC2)c2cccc(Cl)c2)cc1 |r|
CNC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCCC2)c2cccc(Cl)c2)cc1 |r|
CNC(=O)c1cccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCCC2)c2cccc(Cl)c2)c1 |r|
Clc1cccc(c1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2NC(=O)Cc2c1 |r|
Clc1cccc(c1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 |r|
Clc1cccc(c1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]ncc2c1 |r|
Clc1cccc(c1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]nnc2c1 |r|
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(CCCC2)c2cccc(Cl)c2)nc1 |r|
Clc1cccc(c1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
Clc1cccc(c1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1cnc2[nH]ncc2c1 |r|
Clc1cccc(c1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]ccc2n1 |r|
Clc1ccc(cc1)C1(CCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
Fc1ccc(cc1)C1(CCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
COc1ccc(cc1)C1(CCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
O=C(Nc1ccc2[nH]ncc2n1)[C@H]1CCCN1C(=O)C1(CCC1)c1ccc(cc1)C#N |r|
FC1(F)CC(C1)(C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1)c1ccc(Cl)cc1 |r|
F[C@@H]1C[C@@H](N(C1)C(=O)C1(CCC1)c1ccc(Cl)cc1)C(=O)Nc1ccc2[nH]ncc2n1 |r|
F[C@@H]1C[C@@H](N(C1)C(=O)C1(CC(F)(F)C1)c1ccc(Cl)cc1)C(=O)Nc1ccc2[nH]ncc2n1 |r|
CN(CC(=O)Nc1ccc(cc1)OC)C(=O)C2(CCCC2)c3ccccc3
CNC(=O)c1cccc(c1)CNC(=O)[C@H]2CCCN2C(=O)C3(CCCC3)c4ccc(cc4)Cl
FC1(F)CC(C1)(C(=O)N1CCOC[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1)c1ccc(Cl)cc1 |r|
CC1=CC(=CN(C1=O)C)c2ccc3c(c2)n(c(n3)C4CCOCC4)CCOC(F)(F)F
COc1cc(ccc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(C)(C)O
COc1cc(c(OC)cc1-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12)C(C)(C)O
C\C=C\Cn1cc(-c2ccc(cc2)C(=O)N2CCOCC2)c2cc[nH]c2c1=O
COc1cc(c(OC)cc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12
COc1ccc(cc1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]ncc2c1 |r|
COc1ccc(cc1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2cn[nH]c2c1 |r|
COc1ccc(cc1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc2[nH]ccc12 |r|
COc1ccc(cc1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]ccc2c1 |r|
COc1ccc(cc1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
COc1ccc(cc1)C2(CCCCC2)C(=O)N3C[C@@H](C[C@@H]3C(=O)Nc4ccc5c(n4)cn[nH]5)F
COc1ccc(cc1)C1(CCCCC1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
COc1ccc(cc1)C1(CCCCC1)C(=O)N1CS(=O)(=O)C[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
COc1ccc(cc1)C1(CCOCC1)C(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
COc1ccc(cc1)C(C)(C)C(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
COc1ccc(cc1)C1(CC(F)(F)C1)C(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
COc1ccc(cc1)C1(CCC(F)(F)CC1)C(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
COc1ccc(cc1)C1(CC(C)(C)C1)C(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
COc1ccc(cc1F)C1(CCCCC1)C(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
COc1ccc(cn1)C1(CCCCC1)C(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
F[C@@H]1C[C@@H](N(C1)C(=O)C1(CCCCC1)c1ccc(cc1)C(=O)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2n1 |r|
Oc1ccc(cc1)C1(CCCCC1)C(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
COc1ccc(cc1F)C1(CCC(F)(F)CC1)C(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
COc1c(F)cc(cc1F)C1(CCC(F)(F)CC1)C(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
CS(=O)(=O)c1ccc(cc1)C1(CCC(F)(F)CC1)C(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|
CC1=NN(C(=O)\C1=C/c1cc(c[nH]1)C(=O)c1ccccc1)c1ccc(cc1)C(O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1cc(c[nH]1)C(=O)c1ccccc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1cc(c[nH]1)C(=O)c1ccccc1Cl)c1ccc(cc1)C(O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1cc(c[nH]1)C(=O)c1ccccc1C)c1ccc(cc1)C(O)=O |t:1|
CC(C)C1=NN(C(=O)C1Cc1cc(c[nH]1)C(=O)c1ccccc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:3|
CC1=NN(C(=O)\C1=C/c1ccco1)c1ccc(cc1)C(O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1cccs1)c1ccc(cc1)C(O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1c[nH]cn1)c1ccc(cc1)C(O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1cc2ccccc2[nH]1)c1ccc(cc1)C(O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1c[nH]c2ccccc12)c1ccc(cc1)C(O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1cccn1C)c1ccc(cc1)C(O)=O |t:1|
CC1=NN(C(=O)\C1=C/c1cccn1-c1ccccc1)c1ccc(cc1)C(O)=O |t:1|
CCCCCCCc1ccc(CCc2cccc(O)c2C(O)=O)cc1
CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1ccc(nc1)C(=O)NCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1ccc(nc1)C(=O)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1ccc(nc1)C(=O)NCCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1ccc(nc1)C(=O)NCCCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1ccc(nc1)C(=O)NCCCCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1ccc(nc1)C(=O)NCCCCCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1ccc(nc1)C(=O)N1CCN(CC1)c1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1ccc(nc1)C(=O)N1CCC2(CC(C2)Nc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1
CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1ccc(nc1)C(=O)N1CC2(C1)CCC(CC2)Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1ccc(nc1)C(=O)N1CC2(CC(C2)Nc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)C1
CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1ccc(nc1)C(=O)NC1CCN(CC1)c1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1
CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1ccc(nc1)C(=O)NC1CCN(CC1)c1ccc2C(=O)N(Cc2c1)C1CCC(=O)NC1=O
CCOCCNC(=O)CCn1cc(cn1)-c1ccc(NC(=O)C(NCC(C)c2ccc(cc2)C#N)c2ccccc2)nc1
CCOCCNC(=O)CCCn1cc(cn1)-c1ccc(NC(=O)C(NCC(C)c2ccc(cc2)C#N)c2ccccc2)nc1
COCCNC(=O)CCCCn1cc(cn1)-c1ccc(NC(=O)C(NCC(C)c2ccc(cc2)C#N)c2ccccc2)nc1
Oc1ccc(\C=C2/CCC\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br
Oc1ccc(\C=C2/CCC\C(=C/c3ccc(O)c(O)c3)C2=O)cc1O
Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(Br)c2)cc1Br |w:12.11,5.4|
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
OC(=O)c1cc(\C=C2/CCC\C(=C/c3ccc(O)c(c3)C(O)=O)C2=O)ccc1O
Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)cc1O |w:5.4,13.13|
OC(=O)c1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(c2)C(O)=O)ccc1O |w:14.14,7.7|
COc1cc(\C=C2/CCC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O
COC1CCC(CC1)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@H]1CCCC(=O)N1c1ccc(F)c(F)c1 |r,wU:24.27,(-3.27,6.99,;-1.78,6.6,;-1.38,5.11,;-2.52,4.08,;-2.2,2.57,;-.74,2.1,;.4,3.13,;.08,4.63,;-.42,.59,;.99,-.04,;.83,-1.57,;-.68,-1.89,;-1.45,-3.22,;-2.99,-3.22,;-3.76,-1.89,;-2.99,-.55,;-1.45,-.55,;-3.76,-4.56,;-5.29,-4.72,;-6.32,-3.57,;-5.61,-6.22,;-4.28,-6.99,;-3.13,-5.96,;-1.63,-6.28,;2.32,.73,;2.32,2.27,;3.66,3.04,;4.99,2.27,;4.99,.73,;6.32,-.04,;3.66,-.04,;3.66,-1.58,;2.32,-2.35,;2.32,-3.89,;3.65,-4.65,;3.65,-6.19,;4.99,-3.88,;6.32,-4.65,;4.99,-2.35,)|
CCC1C(NC(C)C1C(C)=O)C(=O)NCc1c(O)ccc2cccc(O)c12
CCc1cc2n(CCOCC(C)C)c3nc(=O)[nH]c(=O)c3nc2cc1Cl
COc1ccc2cc3[n+](cc2c1OC)CCOc1cc2c(cc1-3)OCO2
COc1cc2cc3[n+](cc2cc1OC)CCOc1cc2c(cc1-3)OCO2
COc1cc2cc3[n+](cc2cc1OC)CCCOc1cc2c(cc1-3)OCO2
COc1ccc2cc3[n+](cc2c1OC)CCCOc1cc2c(cc1-3)OCO2
COc1cc2cc3[n+](cc2cc1OC)CCCCOc1cc2c(cc1-3)OCO2
COc1cc2cc3[n+](cc2cc1OC)CC(C)COc1cc2c(cc1-3)OCO2
COc1cc2cc3[n+](cc2cc1OC)CCOCCOc1cc2c(cc1-3)OCO2
COc1ccc2cc3[n+](cc2c1OC)CCNc1cc2c(cc1-3)OCO2
COc1cc2cc3[n+](cc2cc1OC)CCNc1cc2c(cc1-3)OCO2
COc1cc2cc3[n+](cc2cc1OC)CCCNc1cc2c(cc1-3)OCO2
COc1ccc2cc3[n+](cc2c1OC)CCCNc1cc2c(cc1-3)OCO2
COc1cc2cc3[n+](cc2cc1OC)CCN(C(C)=O)c1cc2c(cc1-3)OCO2
COc1ccc2cc3[n+](cc2c1OC)CCSc1cc2c(cc1-3)OCO2
COc1cc2cc3[n+](cc2cc1OC)CCSc1cc2c(cc1-3)OCO2
COc1cc2cc3[n+](cc2cc1OC)CCCSc1cc2c(cc1-3)OCO2
COc1ccc2cc3[n+](cc2c1OC)CCCSc1cc2c(cc1-3)OCO2
COc1cc2cc3[n+](cc2cc1OC)CCS(=O)(=O)c1cc2c(cc1-3)OCO2
COc1cc2cc3[n+](cc2cc1OC)CCCS(=O)(=O)c1cc2c(cc1-3)OCO2
C1=CC2C=C3c4cc5c(cc4OCC[N+]3=CC2S1)OCO5
C1=CC2C=C3c4cc5c(cc4NCC[N+]3=CC2S1)OCO5
COc1ccc2cc3[n+](cc2c1OC)CCc1ccsc1-3
COc1ccc2cc3[n+](cc2c1OC)CCc1c-3oc2ccccc12
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
CO[C@H]1CC[C@@H](CC1)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1 |r,wU:24.27,5.8,wD:2.1,(-5.83,-7.85,;-6.97,-6.82,;-6.65,-5.31,;-5.19,-4.84,;-4.87,-3.33,;-6.01,-2.3,;-7.48,-2.77,;-7.8,-4.28,;-5.69,-.79,;-4.29,-.17,;-4.45,1.37,;-5.95,1.69,;-6.72,3.02,;-8.26,3.02,;-9.03,1.69,;-8.26,.35,;-6.72,.35,;-9.03,4.35,;-8.41,5.76,;-6.9,6.08,;-9.55,6.79,;-10.89,6.02,;-10.57,4.51,;-11.6,3.37,;-2.95,-.94,;-2.95,-2.48,;-1.62,-3.25,;-.29,-2.48,;-.29,-.94,;1.05,-.17,;-1.62,-.17,;-1.62,1.37,;-.29,2.14,;-.29,3.68,;-1.62,4.45,;-1.62,5.99,;-2.95,3.68,;-4.29,4.45,;-2.95,2.14,)|
O=C1/C(=C/c2ccccc2Br)CN(C(=O)Cc2ccccc2)C/C1=Cc1ccccc1Br
O=C1/C(=C/c2ccccc2Br)CN(C(=O)CCc2ccccc2)C/C1=Cc1ccccc1Br
CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(O)ccn12
CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCCC(=O)NCCCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12
CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCCCC(=O)NCCCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12
CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCCCCC(=O)NCCCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12
CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCC(=O)NCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12
CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCC(=O)NCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12
CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C)C1)-c1ccc(OC)c(OC)c1 |r|
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCN(C(=O)CN3Cc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCC(CCN3Cc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2[C@H]2CC[C@H](CN3Cc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2[C@H]2CC[C@@H](CN3Cc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C[C@H]2CC[C@H](CN3Cc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2CC2CCC(N3Cc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCC(N3Cc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1
[2H]C([2H])([2H])O[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1
CO[C@H]1CC[C@H](n2c([C@H]3CCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1
CO[C@H]1CC[C@H](n2c([C@@H]3CCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1
CO[C@H]1CC[C@H](n2c([C@@]3(C)CCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1
CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1
CO[C@H]1CC[C@H](n2c([C@@H]3C[C@@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1
CO[C@H]1CC[C@H](n2c([C@@H]3CC(F)(F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1
CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)nnn4C)ccc32)CC1
CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4cc(C)nn4C)ccc32)CC1
CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)n[nH]c4C)ccc32)CC1
CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)nn(C)c4C)ccc32)CC1
CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4cc(C(F)(F)F)nn4C)ccc32)CC1
CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(Cl)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1
COc1ccc(N2C(=O)[C@@H](F)C[C@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](OC)CC2)cc1F
COc1ccc(N2C(=O)[C@@H](F)C[C@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](OC)CC2)cc1Cl
CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(C(F)(F)F)c(Cl)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1
COc1ncc(N2C(=O)[C@@H](F)C[C@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](OC)CC2)cc1F
COc1ncc(N2C(=O)[C@@H](F)C[C@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](OC)CC2)cc1Cl
CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3cc(F)c(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1
COc1cc(N2C(=O)[C@@H](F)C[C@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](OC)CC2)cc(F)c1F
CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc4c(c3)CCO4)nc3cc(-c4c(C)noc4C)ccc32)CC1
Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1C[C@H](F)C(=O)N1c1ccc(F)c(F)c1)n2C1CCOCC1
Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1C[C@H](F)C(=O)N1c1ccc(F)c(F)c1)n2CC1CCOCC1
CC(=O)O[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1
Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1C[C@H](F)C(=O)N1c1ccc(F)c(F)c1)n2[C@H]1CC[C@H](O)CC1
CCO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1
CCOC(=O)CCCn1cc(-c2ccc(Cn3ccc(N)nc3=O)cc2)nn1
CCOC(=O)CCCCn1cc(-c2ccc(Cn3ccc(N)nc3=O)cc2)nn1
CCOC(=O)CCCCCn1cc(-c2ccc(Cn3ccc(N)nc3=O)cc2)nn1
CCOC(=O)CCCCCCn1cc(-c2ccc(Cn3ccc(N)nc3=O)cc2)nn1
CCOC(=O)CCCCCCn1cc(-c2ccc(Cn3cc(F)c(N)nc3=O)cc2)nn1
CCOC(=O)CCCCCCn1cc(-c2ccc(Cn3cc(C)c(N)nc3=O)cc2)nn1
CCOC(=O)CCCCCCn1cc(-c2ccc(Cn3cnc4c(N)ncnc43)cc2)nn1
CCOC(=O)CCCCCCn1cc(-c2ccc(Cn3ccc(=O)[nH]c3=O)cc2)nn1
CCOC(=O)CCCCCn1cc(Cn2ccc(N)nc2=O)nn1
CCOC(=O)CCCCCn1cc(Cn2cc(C)c(N)nc2=O)nn1
CCOC(=O)CCCCCCn1cc(-c2ccc(Cn3cnc(N)nc3=O)cc2)nn1
CCOC(=O)CCCCCn1cc(Cn2cnc(N)nc2=O)nn1
CCOC(=O)CCCCCn1cc(Cn2cc(F)c(N)nc2=O)nn1
CCOC(=O)CCCCCn1cc(Cn2cnc3c(N)ncnc32)nn1
CCOC(=O)CCCCCn1cc(Cn2ccc(=O)[nH]c2=O)nn1
CCOC(=O)CCCn1cc(Cn2cnc(N)nc2=O)nn1
CCOC(=O)CCCCn1cc(Cn2cnc(N)nc2=O)nn1
CCOC(=O)CCCCCCn1cc(Cn2cnc(N)nc2=O)nn1
CCOC(=O)CCCn1cc(-c2ccc(Cn3cnc(N)nc3=O)cc2)nn1
CCOC(=O)CCCCn1cc(-c2ccc(Cn3cnc(N)nc3=O)cc2)nn1
CCOC(=O)CCCCCn1cc(-c2ccc(Cn3cnc(N)nc3=O)cc2)nn1
Nc1ccn(Cc2ccc(-c3cn(CCCC(=O)O)nn3)cc2)c(=O)n1
Nc1ccn(Cc2ccc(-c3cn(CCCCC(=O)O)nn3)cc2)c(=O)n1
Nc1ccn(Cc2ccc(-c3cn(CCCCCC(=O)O)nn3)cc2)c(=O)n1
Nc1ccn(Cc2ccc(-c3cn(CCCCCCC(=O)O)nn3)cc2)c(=O)n1
COC(=O)c1ccc(CCCCn2cc(Cn3ccc(N)nc3=O)nn2)cc1
COC(=O)c1ccc(CCCCn2cc(Cn3cnc(N)nc3=O)nn2)cc1
COC(=O)c1ccc(CCCCn2cc(Cn3cc(F)c(N)nc3=O)nn2)cc1
COC(=O)c1ccc(CCCCn2cc(Cn3cc(C)c(N)nc3=O)nn2)cc1
COC(=O)c1ccc(CCCCn2cc(Cn3cnc4c(N)ncnc43)nn2)cc1
COC(=O)c1ccc(CCCCn2cc(Cn3ccc(=O)[nH]c3=O)nn2)cc1
COC(=O)c1ccc(CCCCn2cc(-c3ccc(Cn4ccc(N)nc4=O)cc3)nn2)cc1
COC(=O)c1ccc(CCCCn2cc(-c3ccc(Cn4cnc(N)nc4=O)cc3)nn2)cc1
COC(=O)c1ccc(CCCCn2cc(-c3ccc(Cn4cc(F)c(N)nc4=O)cc3)nn2)cc1
COC(=O)c1ccc(CCCCn2cc(-c3ccc(Cn4cc(C)c(N)nc4=O)cc3)nn2)cc1
COC(=O)c1ccc(CCCCn2cc(-c3ccc(Cn4cnc5c(N)ncnc54)cc3)nn2)cc1
COC(=O)c1ccc(CCCCn2cc(-c3ccc(Cn4ccc(=O)[nH]c4=O)cc3)nn2)cc1
Nc1ccn(Cc2ccc(-c3cn(CCCCc4ccc(C(=O)O)cc4)nn3)cc2)c(=O)n1
Nc1nc(=O)n(Cc2ccc(-c3cn(CCCCc4ccc(C(=O)O)cc4)nn3)cc2)cc1F
Cc1cn(Cc2ccc(-c3cn(CCCCc4ccc(C(=O)O)cc4)nn3)cc2)c(=O)nc1N
Nc1ncnc2c1ncn2Cc1ccc(-c2cn(CCCCc3ccc(C(=O)O)cc3)nn2)cc1
O=C(O)c1ccc(CCCCn2cc(-c3ccc(Cn4ccc(=O)[nH]c4=O)cc3)nn2)cc1
Nc1ccn(Cc2cn(CCCCc3ccc(C(=O)O)cc3)nn2)c(=O)n1
Nc1ncn(Cc2cn(CCCCc3ccc(C(=O)O)cc3)nn2)c(=O)n1
Nc1nc(=O)n(Cc2cn(CCCCc3ccc(C(=O)O)cc3)nn2)cc1F
Cc1cn(Cc2cn(CCCCc3ccc(C(=O)O)cc3)nn2)c(=O)nc1N
Nc1ncnc2c1ncn2Cc1cn(CCCCc2ccc(C(=O)O)cc2)nn1
O=C(O)c1ccc(CCCCn2cc(Cn3ccc(=O)[nH]c3=O)nn2)cc1
CNC(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(F)(F)F)C1=O
CNC(=O)Nc1ccc2c(c1)[C@@]1(CC2)OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(F)(F)F)C1=O
CC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)SC(=C3CCCCC3)C2=O)cc1
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)OC2(CCc3cc(NC(=O)C(C)(C)N)ccc32)C1=O
CC(=O)Nc1ccc(cc1)N=Nc1c(O)c2ccc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccccc5)c(cc4c3)S(O)(=O)=O)cc2cc1S(O)(=O)=O |w:31.32,11.12|
Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(O)(=O)=O)ccc12)S(O)(=O)=O
OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
[#6]-[#8]-c1ccc(cc1-[#8])-[#6](=O)-[#6]-1=[#6]2-[#8]C([#6])([#6])[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6][C@@]22[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2)[#6]-1=O |r,c:12|
[#6]\[#6](-[#6])=[#6]/[#6]-[#6@H]1-[#6][C@@]23[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c4ccc(-[#8])c(-[#8])c4)=[#6]2-[#8]C1([#6])[#6])[#6]3=O |r,c:37,TLB:43:42:15.8.9:26.24.37|
O=c1ccsn1-c1ccccc1
O=c1ccsn1-c1ccccn1
O=c1ccsn1-c1cccnc1
O=c1ccsn1-c1ccncc1
O=c1ccsn1-c1ccc(cc1)N1CCOCC1
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r|
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r|
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r|
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r|
[#6]-[#6@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#8])C([#6])([#6])[#6]-[#8]P([#8])(=O)[#8]P([#8])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8]P([#8])([#8])=O)-n1cnc2c(-[#7])ncnc12)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#8])C([#6])([#6])[#6]-[#8]P([#8])(=O)[#8]P([#8])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8]P([#8])([#8])=O)-n1cnc2c(-[#7])ncnc12)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
CC(C)CN(Cc1ccc2OC(C)(C)C=Cc2c1)S(=O)(=O)c1nccs1 |c:14|
CC(C)CN(Cc1ccc2OC(C)(C)C=Cc2c1)S(=O)(=O)c1nccn1C |c:14|
COc1cc(CN(C(C)C)S(=O)(=O)c2ccccn2)cc2C=CC(C)(C)Oc12 |c:22|
CC(C)CN(Cc1ccc2OC(C)(C)C=Cc2c1)S(=O)(=O)c1ccccn1 |c:14|
COc1ccc(cc1OC)S(=O)(=O)N(Cc1ccc2OC(C)(C)C=Cc2c1)c1ccccc1 |c:24|
Oc1ccc(cc1NC(=O)c1cccc2ccccc12)C(=O)c1ccc(O)c(NC(=O)c2cccc3ccccc23)c1
C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
OC(=O)c1ccc(cc1)-n1nnnc1SC1=CS(=O)(=O)c2ccccc12 |t:17|
O=S1(=O)C=C(Sc2nnnn2-c2ccccc2)c2ccccc12 |t:3|
O=S1(=O)C=C(Sc2nnc(o2)-c2ccncc2)c2ccccc12 |t:3|
O=S1(=O)C=C(Sc2nnc(o2)-c2ccccc2)c2ccccc12 |t:3|
[O-][N+](=O)c1cc(Br)c2nsnc2c1Sc1ncnc2[nH]cnc12
[O-][N+](=O)c1c(Sc2nnnn2-c2ccccc2)cc(Cl)c2nonc12
CNc1nc(-c2ccccc2)[n+](s1)-c1ccccc1
Cc1ccc(cc1)-c1nc(N)s[n+]1-c1ccccc1
CNc1nc(-c2ccccc2)[n+](s1)-c1ccc(C)cc1
Oc1ccccc1-c1nnc(SC2CC(=O)N(C2=O)c2ccc(Br)cc2)o1
COc1ccc(cc1)-c1nnc(SC2CC(=O)N(C2=O)c2ccc(Cl)cc2)[nH]1
Cc1ccc(cc1)N1C(=O)CC(Sc2nncn2-c2ccccc2)C1=O
OC(=O)CCSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc12
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2c1O
Oc1c(Sc2nnnn2-c2ccccc2)cc(NS(=O)(=O)c2ccccc2)c2ccccc12
Oc1c(Cl)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
Oc1c(Sc2nc[nH]n2)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
CCN(CC)c1ccc2c(C)c(-c3ccc(cc3)N3C(=O)C=CC3=O)c(=O)oc2c1 |c:22|
[#6]-c1cc(-[#8])cc(-[#6])c1\[#6]=[#6]-1/[#6](=O)-[#7](-[#6]-c2ccccc2)-[#6](=O)-[#7](-[#6]-c2ccccc2)-[#6]-1=O
[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)cc1
[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)cc1-[#8]
[#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)cc1-[#8]
[#6]-[#8]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)ccc1-[#8]
[#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)cc1-[#8]-[#6]
[#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)cc1
[#6]-[#6](-[#6])-[#6]-[#7]-1-[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6](=O)\[#6](=[#6]/c2ccc(-[#8])cc2)-[#6]-1=O
[#6]-[#6](-[#6])-[#6]-[#7]-1-[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6](=O)\[#6](=[#6]/c2ccc(-[#8])c(-[#8])c2)-[#6]-1=O
[#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6]-2=O)cc1-[#8]
[#6]-[#8]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6]-2=O)ccc1-[#8]
[#6]-[#8]-c1cc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#6]-[#6]=[#6])-[#6](=O)-[#7](-[#6]-[#6]=[#6])-[#6]-2=O)ccc1-[#8]
CC1=NN(C(=O)\C1=C/Cc1ccc(Cc2cc(C)c(C)cc2[N+]([O-])=O)o1)c1ccc(cc1)C(O)=O |t:1|
O=C(C1C(=O)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1=O)c1ccccc1
O=C1C(Cc2ccccc2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
CNC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)CNC(=O)CNC(=O)NC(CCCCNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(O)=O)C(C)O)C(C)O)C(C)O
CC(C)(C)OC(=O)NCCCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 |r|
CCCCCCCCCCCCCCCc1cccc(OCC)c1C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
[#6]-[#6](-[#6])\[#6]=[#6]\[#6@@H](-[#6][C@@]12[#6]-[#6@@H](\[#6]=[#6]/[#6](-[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)=[#6]1-[#8])[#6]2=O)-[#6](-[#6])=[#6] |r,c:37,THB:40:39:26.37.24:15.8.9|
[#6]-[#8]-c1ccc(cc1-[#8])-[#6](=O)-[#6]-1=[#6]2-[#8]C([#6])([#6])[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6][C@@]22[#6]-[#6@@H](\[#6]=[#6]/[#6](-[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-1=O)[#6]2=O |r,c:12,THB:27:26:43:11.41.12|
NC(=N)NCCC[C@@H]1NC(=O)\C(NC1=O)=C\c1ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H](CC(O)=O)C(O)=O)C(O)=O)C(O)=O)c1 |r|
NC(=N)NCCC[C@@H]1NC(=O)\C(NC1=O)=C\c1ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(O)=O)C(O)=O)C(O)=O)c1 |r|
COc1ccc(cc1OC)C1CC(=NN1c1nc(cs1)-c1ccc(cc1)N1C(=O)c2ccccc2C1=O)c1cccs1 |c:13|
S(Sc1ccns1)c1ccns1
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r|
CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cnn(C)c1)nn2[C@@H]1CCOC1 |r|