2935 SMILES Strings for Bcl-2-like protein 1

Compound Name
SMILES String
OC(=O)c1sc2ccccc2c1CCCOc1cccc2ccccc12
Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O
OC(=O)c1sc2cc(Cl)ccc2c1CCCOc1cccc2ccccc12
Cc1cc(OCCCc2c(sc3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl
OC(=O)c1oc2ccccc2c1CCCOc1cccc2ccccc12
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 |r|
COC1(Cc2ccccc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC2(C[C-](N=[O+]2)c2ccccc2)CC1 |c:45|
CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC2(C[C-](Cc3ccccc3)N=[O+]2)CC1 |c:53|
CC1OC2(CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)N(Cc2ccccc2)C1=O |r|
[#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(F)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccccc1 |r|
COC1(CC(C)C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
COC1(CC(C)(C)C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
CCCCC1(CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O)OC |r|
COC1(CC2CCCCC2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
COC1(Cc2ccccc2Cl)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
COC1(Cc2cccc(Cl)c2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
COC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
COC1(Cc2ccccc2F)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
COC1(Cc2ccccc2C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
COc1ccccc1CC1(CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O)OC |r|
COC1(Cc2ccccc2Br)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
COC1(Cc2ccccc2-c2ccccc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
COC1(Cc2ccc(cc2)-c2ccccc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
[#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1F |r|
[#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1Cl |r|
[#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(Cl)cc1 |r|
[#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1C(F)(F)F |r|
[#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(cc1)C(F)(F)F |r|
[#6]-[#8]-c1ccccc1\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=O)-[#7]S(=O)(=O)c1ccc(-[#7]-[#6@H](-[#6]-[#6]-[#7](-[#6])-[#6])-[#6]-[#16]-c2ccccc2)c(c1)-[#7+](-[#8-])=O |r|
[#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1C#N |r|
[#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccn1 |r|
[#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1cccnc1 |r|
[#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1-c1ccccc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1 |r|
COc1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
CSc1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2S(C)(=O)=O)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2NC2CCCCC2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2N2CCOCC2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C2CCCCC2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2cccnc2)CC1 |r|
COc1cccc(c1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
COc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2Cl)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2cccc(Cl)c2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(cc2)-c2ccccc2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(F)cc2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(cc2)C(F)(F)F)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(cc2)S(C)(=O)=O)CC1 |r|
Cc1cc2c(C(=O)c3nc4ccccc4s3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)c3nc4ccccc4s3)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;10.91,-9.22,;12.43,-9.46,;13.2,-10.8,;14.74,-10.8,;15.51,-9.46,;14.74,-8.13,;13.2,-8.13,;12.04,-7,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;1.09,2.63,;2.62,2.47,;3.25,3.87,;4.73,4.27,;5.13,5.76,;4.04,6.85,;2.56,6.45,;2.16,4.96,;.77,4.14,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5
C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6
COc1ccc2c(cnc3ccccc23)c1OC
C1Oc2ccc3c(cnc4ccccc34)c2O1
CC1(C)Oc2ccc3c(cnc4ccccc34)c2O1
COc1ccc2c(c[n+](C)c3ccccc23)c1OC
C[n+]1cc2c3OCOc3ccc2c2ccccc12
C[n+]1cc2c3OC(C)(C)Oc3ccc2c2ccccc12
COc1ccc2c(c[n+]([O-])c3ccccc23)c1OC
[O-][n+]1cc2c3OCOc3ccc2c2ccccc12
CC1(C)Oc2ccc3c(c[n+]([O-])c4ccccc34)c2O1
COc1ccc2c(c[n+](C)c3ccc(CO)cc23)c1OC
C[n+]1cc2c3OCOc3ccc2c2cc(CO)ccc12
C[n+]1cc2c3OCOc3ccc2c2cc(CCO)ccc12
COCc1ccc2[n+](C)cc3c4OCOc4ccc3c2c1
COCCc1ccc2[n+](C)cc3c4OCOc4ccc3c2c1
Cn1cc2c(ccc(O)c2=[OH+])c2ccccc12
Cn1cc2c(ccc(O)c2=[OH+])c2cc(CO)ccc12
Cn1cc2c(ccc(O)c2=[OH+])c2cc(CCO)ccc12
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r|
CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r|
COC(=O)[C@@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)C(C)C |r|
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r|
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC)C(=O)N(C(C)C)C(C)C |r|
COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(cc1OC)C(=O)N(C(C)C)C(C)C |r|
COc1cc(ccc1C(=O)N[C@@H](CC(C)C)C(O)=O)C(=O)N(C(C)C)C(C)C |r|
CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1ccccc1)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Oc1ccccc1)C(=O)N(C(C)C)C(C)C |r|
CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1ccc2ccccc2c1)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Oc1ccc(cc1)[N+]([O-])=O)C(=O)N(C(C)C)C(C)C |r|
CC(C)C[C@H](NC(=O)c1ccc(cc1NC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C)C |r|
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C)C |r|
CC(C)Oc1cc(ccc1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N(C)C |r|
COC(=O)CNC(=O)c1ccc(cc1)C(=O)N(C)C
CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C)C(=O)OC)c(OC(C)C)c1 |r|
CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)OC)c(OC(C)C)c1 |r|
COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)CC(C)C |r|
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)CC(C)C |r|
COC(=O)[C@@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)CC(C)C)C(C)C |r|
CC(C)Oc1cc(ccc1C(=O)N[C@@H](C)C(O)=O)C(=O)N(c1ccccc1)c1ccccc1 |r|
CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(c1ccccc1)c1ccccc1)C(O)=O |r|
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(c1ccccc1)c1ccccc1 |r|
CC(C)Oc1cc(ccc1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N(c1ccccc1)c1ccccc1 |r|
CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)[C@@H](C)C(O)=O)C(O)=O |r|
CC(C)C[C@H](NC(=O)c1ccc(cc1O)C(=O)NCC(O)=O)C(O)=O |r|
CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)[C@@H](C(C)C)C(O)=O)C(O)=O |r|
CC(C)C[C@H](NC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(O)=O)c(Oc2ccccc2)c1)C(O)=O |r|
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Oc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
CC(C)C[C@H](NC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(O)=O)c(Oc2ccc3ccccc3c2)c1)C(O)=O |r|
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1cccc2ccccc12)-c1ccc(CCC(O)=O)cc1CC(C)C
CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1C(C)C)-c1ccc(CCC(O)=O)cc1CC(C)C
CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1ccccc1)-c1ccc(CCC(O)=O)cc1CC(C)C
CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1ccc2ccccc2c1)-c1ccc(CCC(O)=O)cc1CC(C)C
CC(C)Cc1cc(CCC(O)=O)ccc1-c1ccc(c(Cc2ccccc2)c1)-c1ccc(OCC(O)=O)c(Cc2ccccc2)c1
CC(C)Cc1cc(CCC(O)=O)ccc1-c1ccc(c(CC(C)C)c1)-c1ccc(OCC(O)=O)c(Cc2cccc3ccccc23)c1
Cc1cc(CCC(O)=O)ccc1-c1cc(C)c(c(C)c1)-c1ccc(OCC(O)=O)c(Cc2ccccc2)c1
Cc1cc(CCC(O)=O)ccc1-c1cc(C)c(c(CCC(O)=O)c1)-c1ccc(OCC(O)=O)c(Cc2ccccc2)c1
COC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccc(OCC(=O)OC)cc1
COC(=O)CCc1ccc(c(CC(C)C)c1)-c1ccc(-c2ccc(OCC(=O)OC)c(CC(C)C)c2)c(c1)C(C)C
CC(C)Cc1cc(ccc1OCC[NH3+])-c1ccc(cc1C(C)C)-c1ccc(CCC[NH3+])cc1CC(C)C
Cc1cccc(c1)-c1ccc(cc1C)-c1ccc(OCC(O)=O)cc1C
CC(C)c1cccc(c1)-c1ccc(cc1C)-c1ccc(OCC(O)=O)cc1C
CC(C)Cc1cc(OCC(O)=O)ccc1-c1ccc(c(CC(C)C)c1)-c1cccc(c1)C(C)C
CCc1cc(ccc1-c1cccc(Cc2ccccc2)c1)-c1ccc(OCC(O)=O)cc1C(C)C
CCc1cc(ccc1-c1cccc(Cc2cccc3ccccc23)c1)-c1ccc(OCC(O)=O)cc1C(C)C
OC(=O)COc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
CC(C)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O |(-6.3,1.23,;-7.63,1.99,;-8.97,1.22,;-7.63,3.53,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;3.04,11.24,;.37,11.24,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
Cc1cc2c(CCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(CCc3ccccc3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-6.3,1.23,;-6.3,-.31,;-7.63,-1.08,;-7.63,-2.62,;-6.3,-3.39,;-4.97,-2.62,;-4.97,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;3.04,11.24,;3.04,12.78,;1.7,13.55,;1.7,15.09,;3.04,15.86,;4.37,15.09,;4.37,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
Cc1cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-4.97,-2.62,;-3.63,-3.39,;-2.3,-2.62,;-2.3,-1.08,;-3.63,-.31,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;4.37,15.09,;5.7,15.86,;7.04,15.09,;7.04,13.55,;5.7,12.78,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
Cc1cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;-.96,-.31,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;5.7,12.78,;5.7,11.24,;7.04,10.47,;8.37,11.24,;8.37,12.78,;7.04,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
Cc1cc2c(C(=O)NCCc3cccc(Cl)c3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3cccc(Cl)c3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;-.96,-.31,;.37,-1.08,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;5.7,12.78,;5.7,11.24,;7.04,10.47,;8.37,11.24,;8.37,12.78,;9.7,13.55,;7.04,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)NCCc4ccc(CC)cc4)c(O)c(O)cc3c2O)cc1 |(11.04,11.24,;9.7,10.47,;8.37,11.24,;7.04,10.47,;5.7,11.24,;5.7,12.78,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;.37,2,;.37,3.54,;-.96,-.31,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;7.04,13.55,;8.37,12.78,)|
Cc1cc(C)c(CNC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)NCc4c(C)cc(C)cc4C)c(O)c(O)cc3c2O)c(C)c1 |(8.37,15.86,;7.04,15.09,;5.7,15.86,;4.37,15.09,;3.04,15.86,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,-1.08,;-2.3,-2.62,;-.96,-3.39,;-3.63,-3.39,;-4.97,-2.62,;-6.3,-3.39,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;5.7,12.78,;5.7,11.24,;7.04,13.55,)|
CC(NC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC(C)c3ccc(Cl)cc3)c(O)c(O)cc2c1O)c1ccc(Cl)cc1 |(-7.63,-1.08,;-6.3,-.31,;-6.3,1.23,;-7.63,1.99,;-8.97,1.22,;-7.63,3.53,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;1.7,13.55,;4.37,13.55,;4.37,15.09,;5.7,15.86,;7.04,15.09,;8.37,15.86,;7.04,13.55,;5.7,12.78,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-4.97,-1.08,;-4.97,-2.62,;-3.63,-3.39,;-2.3,-2.62,;-.96,-3.39,;-2.3,-1.08,;-3.63,-.31,)|
CC(CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |(5.7,12.78,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-4.97,-2.62,;-6.3,-3.39,;-6.3,-4.93,;-4.97,-5.71,;-3.63,-4.93,;-3.63,-3.39,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;4.37,15.09,;3.04,15.86,;3.04,17.4,;4.37,18.17,;5.7,17.4,;5.7,15.86,)|
Cc1cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-7.55,-1.22,;-7.07,-2.68,;-7.84,-4.02,;-7.07,-5.35,;-5.53,-5.35,;-4.76,-4.02,;-5.53,-2.68,;-5.05,-1.22,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;1.83,13.73,;2.36,15.17,;1.65,16.54,;2.47,17.84,;4.01,17.78,;4.73,16.41,;3.9,15.11,;4.32,13.63,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
CCCCCC#CCC#CCC#CCC#CCCCC(=O)O
CN(C)[C@@H]1C2CC3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C
CCn1c(SC(C)C(O)=O)nc2sc3CCCc3c2c1=O
CC1(C)Cc2c(CS1)c(nc(N1CCN(CC1)C(=O)c1ccco1)c2C#N)-c1ccco1
CSc1nnc(-c2ccco2)c(n1)-c1ccco1
Fc1ccc(Cc2nn3c(nc2=O)sc(=Cc2ccco2)c3=O)cc1
CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC
Clc1ccc(SCC(=O)c2ccco2)cc1
Cn1cnnc1SCC(=O)Nc1sc2CCCc2c1C(N)=O
CC(=N)C(C#N)C(=O)CSc1nnc(Nc2cccc(C)c2)s1
Clc1cccc(c1)-n1nc(cc1C(=O)N1CCCCC1)-c1ccco1
c1coc(c1)-c1nc(-c2ccco2)c(nc1-c1ccco1)-c1ccco1
CC(C)Nc1nnc(SCC(=O)C(C#N)C(C)=N)s1
Fc1ccc(NC(=O)c2noc3CCCc23)c(F)c1
COc1cc(NC(=O)c2noc3CCCc23)c(OC)cc1Cl
COC(=O)c1ccccc1NC(=O)c1noc2CCCc12
Cc1cc(NC(=O)Cc2cccs2)no1
C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
O=C(Cn1cnc2sc(cc2c1=O)-c1ccccc1)NCc1ccco1
Oc1c2oc3[nH]c4ccc(Br)cc4c3cc2ccc1=O
COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC
Cc1onc(c1C(=O)NCc1ccco1)-c1ccccc1Cl
CCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
Cc1ccc(o1)-c1cc(C(=O)Nc2ccc(C)cn2)c2ccccc2n1
Nc1ccc(cc1)C(=O)NN=Cc1cc(ccc1O)N=Nc1cccc2ccccc12 |w:20.22,10.10|
O=C(Cc1cccs1)Nc1nnc(Cc2ccccc2)s1
CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccco1 |c:13|
O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)N1CCN(CC1)C(=O)c1ccco1
[#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cc2ccccc2cc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
Oc1cc2ccccc2cc1C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |w:14.15|
[#8]-[#6](=O)-[#6](\[#6](=O)\[#6]=[#6]\c1ccco1)=[#6]-1/[#16]-[#6]-[#6]-[#16]-1
Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)N\N=C\c1ccncc1
Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
[H]C12CCC(C)(C(=O)N(NC(=O)c3ccccc3O)C1=O)C2(C)C |TLB:7:6:21:3.2,THB:20:19:21:3.2|
Oc1c(cc(CN2CCCC2)c2cccnc12)[N+]([O-])=O
OC(=O)c1ccc(C=NNC(=O)CNc2cccc3ccccc23)cc1
[O-][N+](=O)c1cc(\C=C\C(=O)Nc2ccc(cc2)N2CCCC2)ccc1Cl
CC(=O)OCCCNc1cc(SCc2ccco2)c2nonc2c1[N+]([O-])=O
Oc1c(CC=C)cccc1C=NNC(=O)CNc1cccc2ccccc12 |w:11.12|
Clc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O |w:14.15|
O=C(Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccncc1)c1ccccc1
Cc1csc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)n1
COc1ccc[c-](\C=[NH+]\NC(=O)c2cc3cc(ccc3s2)[N+]([O-])=O)c1=O
Cc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
COc1cccc(c1)-n1c(SCc2cc(=O)oc3cc(O)c(O)cc23)nc2ccccc2c1=O
COc1ccc(NC(=O)c2c3CCCc3nc3ccccc23)cc1S(=O)(=O)N1CCOCC1
[O-]c1[nH]c(=O)n(Cc2ccco2)c(=O)c1[CH+]c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
[O-]c1ccc(cc1[N+]([O-])=O)S(=O)(=O)c1ccc([O-])c(c1)[N+]([O-])=O
Oc1ccc(C=NNC(=O)CCc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(O)c1O |w:6.6|
COc1cccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccc(cc2)C(O)=O)c1 |c:19|
Cc1ccc(o1)-c1cc(C(O)=O)c2cc(Br)ccc2n1
CNc1ccccc(C(=O)\C=C\c2ccccc2OC)c1=O
OC(=O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
Clc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NN=Cc2ccncc2)cc1
COc1ccc(OC)c(NC(=O)COC(=O)c2cc3CCCc3s2)c1
Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1
CCc1sc(cc1[N+]([O-])=O)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O
[O-][N+](=O)c1ccc2s\c(=[NH+]\c3ccc(Br)cc3)[n-]c(=O)c2c1
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(cc1)C(O)=O |c:21|
COc1cccc(C=NNC(=S)Nc2cccc(c2)C(O)=O)c1O |w:8.8|
COc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1 |c:22,t:19|
Cc1ccc(\[NH+]=C\c2c[c-](Cc3ccccc3Cl)cc([N+]([O-])=O)c2=O)c(O)c1
Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O
O=C(\C=C\c1ccco1)N(c1ccccn1)c1ccccn1
COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)cc1
O=C(Nc1cccc(c1)S(=O)(=O)NC1=NCCC1)c1cc(nc2ccccc12)-c1ccco1 |t:14|
Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Nc1nc2n(cnc2c(=S)[nH]1)C1OC(CO)C(O)C1O
[O-][N+](=O)c1cc(Cl)c[c-](C=[NH+]NC(=S)Nc2cc(ccc2Cl)S(=O)(=O)N2CCOCC2)c1=O |w:10.10|
O=c1n(Cc2ccco2)c(=S)[nH]c2sc3CCCc3c12
Cc1cc[n+](cc1)-c1[n-]c(=O)sc1\C=N\NC(=O)CCn1c2ccccc2c2ccccc12
Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccnc2)n1CC=C
Oc1ccc(C=Nn2c(csc2=NCC=C)-c2ccco2)c(O)c1O |w:6.6,12.13|
COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O
COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)CCc3ccccc3)C(=O)C2=CO1 |c:30,t:7,9|
OC(=O)c1ccc(cc1)-n1cccc1C=NNC(=O)c1cc2cc(Br)ccc2o1 |w:15.17|
Cc1ccc(cc1)-c1cc(-c2ccco2)c(C#N)c(=O)[nH]1
COc1ccc(cc1)C1=CC2=C(Br)C(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CO1 |c:11,30,t:9|
COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1 |c:15,18,t:13|
OC(=O)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12 |c:18|
Nc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2o1
O=Cc1cccc(OC(=O)\C=C\c2ccco2)c1
Brc1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)s1
Cc1ccc(cc1C)-c1csc2ncn(CC#N)c(=O)c12
Clc1cccc(c1)C1Nc2cccc3cccc(N1)c23
CCOC(=O)C[C@@H]1N(c2cccc(OC)c2)S(=O)(=O)c2cc(ccc12)C(F)(F)F
COC(=O)c1ccccc1NCc1cc(=O)oc2cc(O)c(O)cc12
COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)C1CC1c1ccccc1
Cc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1O |w:12.13|
[O-][N+](=O)c1ccccc1SCc1n[nH]c(=S)n1CC=C
Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12
Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nc4ccc(Br)cc4s3)sc12
OC(=O)c1ccc(cc1)-n1cccc1\C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O
OC(=O)CN1C(=S)S\C(=C\c2cc(ccc2OCc2ccccc2Cl)[N+]([O-])=O)C1=O
Cc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(O)=O
OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc12
CC(C)n1c(SCC(=O)Nc2nncs2)nnc1-c1ccco1
Cc1ccc(cc1-c1ccc(\C=C2/SC(=O)N(CC(=O)Nc3ccc4OCOc4c3)C2=O)o1)C(O)=O
CCN(C1CCS(=O)(=O)C1)C(=O)C(C)N1C(=S)S\C(=C/c2ccco2)C1=O
OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
CC(=NNC(=O)c1cc(O)ccc1O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 |w:2.2|
Oc1cc(O)cc(c1)C(=O)NN=Cc1ccoc1
O=C(CNC(=O)\C=C\c1ccco1)NNC1=c2ccccc2=NC1=O |c:16,23|
Oc1ccc(O)c(c1)S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)c1cc(O)ccc1O
COc1ccc(Br)cc1C=c1sc2nc(nn2c1=O)-c1ccco1
Brc1ccc(\C=C\C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)o1
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\C=C\c1ccc2ccccc2n1
Fc1ccccc1C(=O)NNC(=O)c1cccc(c1)-n1cccc1
Brc1ccc(C=CC(=O)OCC(=O)c2ccc3OCC(=O)Nc3c2)o1 |w:5.4|
CC1(CCS(=O)(=O)C1)NC(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
Cc1cccc(NC(=O)CNC(=O)c2cccc(c2)-n2cccc2)c1C
CN(CC(=O)Nc1cc(C)ccc1C)C(=O)c1cccc(c1)-n1cccc1
CCCCN(C(=O)c1cccc(c1)-n1cccc1)c1c(N)n(CCC)c(=O)[nH]c1=O
COc1ccc(NC(=O)CN(C)C(=O)c2cc3CCCc3s2)cc1
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C
Clc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccco1
Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nc4ccccc4s3)sc12
COc1ccc(cc1OC)C(=O)OCC(=O)Nc1ncc(s1)[N+]([O-])=O
CCOc1ccc(NC(=O)c2cccc(c2)-n2cccc2)cc1S(=O)(=O)N1CCOCC1
COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Oc1ccc(cc1O)-c1cc(=O)c2ccc3ccccc3c2o1
CCC(=O)Nc1ccc(cc1)C(=O)COC(=O)c1nc2nccc(C)n2n1
COc1cccc(C(=O)OCC(=O)Nc2sc3CCCc3c2C(N)=O)c1O
Cc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl
OC(=O)C(=C/c1ccc(Cl)c(c1)[N+]([O-])=O)\c1ccc(s1)S(=O)(=O)N1CCCC1
Cc1ccc(OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(n1)[N+]([O-])=O
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
c1ccc(cc1)SC[C@@H](CCN2CCOCC2)Nc3ccc(cc3S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c4csc(n4)N5CCc6cccc(c6C5)C(=O)Nc7nc8ccccc8s7
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1cccc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(ccc1CCCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1nc(ccc1CCCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(ccc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1nc(sc1Cc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(sc1Cc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
[O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1nc(sc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(sc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OCC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(sc1CCCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CC(C)c1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(C(C)C)c(O)c(O)cc3c1=O)c2=O |(-4.65,-4.76,;-5.98,-3.99,;-7.31,-4.76,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;2.02,5.25,;4.69,5.25,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,)|
CC(C)Cc1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(CC(C)C)c(O)c(O)cc3c1=O)c2=O |(-7.31,-6.3,;-7.31,-4.76,;-8.65,-3.99,;-5.98,-3.99,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;6.02,4.48,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,)|
Cc1ccc(CCc2c(O)c(O)cc3c2c(=O)c(C)c(-c2c(C)c(=O)c4c(CCc5ccc(C)cc5)c(O)c(O)cc4c2=O)c3=O)cc1 |(-7.31,-10.92,;-7.31,-9.38,;-8.65,-8.61,;-8.65,-7.07,;-7.31,-6.3,;-7.31,-4.76,;-5.98,-3.99,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;3.35,7.56,;3.35,9.1,;4.69,9.87,;4.69,11.41,;6.02,9.1,;6.02,7.56,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-5.98,-7.07,;-5.98,-8.61,)|
Cc1c(-c2c(C)c(=O)c3c(Cc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(Cc3ccccc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;6.02,7.56,;7.36,6.79,;7.36,5.25,;6.02,4.48,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-8.65,-3.99,;-9.98,-4.76,;-9.98,-6.3,;-8.65,-7.07,;-7.31,-6.3,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
Cc1c(-c2c(C)c(=O)c3c(CC4CCCC4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(CC3CCCC3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;5.01,6.75,;6.54,6.91,;7.17,5.51,;6.02,4.48,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-8.56,-3.86,;-9.81,-4.76,;-9.33,-6.23,;-7.79,-6.23,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
Cc1c(-c2c(C)c(=O)c3c(CCC4CCCCC4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(CCC3CCCCC3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;3.35,7.56,;3.35,9.1,;4.69,9.87,;6.02,9.1,;6.02,7.56,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-8.65,-8.61,;-7.31,-9.38,;-5.98,-8.61,;-5.98,-7.07,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
Cc1c(-c2c(C)c(=O)c3c(CCc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(CCc3ccccc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;3.35,7.56,;3.35,9.1,;4.69,9.87,;6.02,9.1,;6.02,7.56,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-8.65,-8.61,;-7.31,-9.38,;-5.98,-8.61,;-5.98,-7.07,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
Cc1c(-c2c(C)c(=O)c3c(CCCc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(CCCc3ccccc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;6.02,7.56,;6.02,9.1,;7.36,9.87,;8.69,9.1,;8.69,7.56,;7.36,6.79,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-9.98,-6.3,;-11.32,-7.07,;-11.32,-8.61,;-9.98,-9.38,;-8.65,-8.61,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
Cc1c(-c2c(C)c(=O)c3c(Cc4ccc(Cl)cc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(Cc3ccc(Cl)cc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;6.02,7.56,;7.36,6.79,;8.69,7.56,;7.36,5.25,;6.02,4.48,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-8.65,-3.99,;-9.98,-4.76,;-9.98,-6.3,;-11.32,-7.07,;-8.65,-7.07,;-7.31,-6.3,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
Cc1c(-c2c(C)c(=O)c3c(C(=O)Cc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(C(=O)Cc3ccccc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;2.02,5.25,;4.69,5.25,;4.69,6.79,;3.35,7.56,;3.35,9.1,;4.69,9.87,;6.02,9.1,;6.02,7.56,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-4.65,-4.76,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-8.65,-8.61,;-7.31,-9.38,;-5.98,-8.61,;-5.98,-7.07,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
CC(CNC(=O)c1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(C(=O)NCC(C)c4ccccc4)c(O)c(O)cc3c1=O)c2=O)c1ccccc1 |(7.36,6.79,;6.02,7.56,;4.69,6.79,;4.69,5.25,;3.36,4.48,;2.02,5.25,;3.36,2.94,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;2.02,2.17,;.69,2.94,;.69,4.48,;-.65,2.17,;-1.98,2.94,;-.65,.63,;-1.98,-.14,;-1.98,-1.68,;-.65,-2.45,;-3.31,-2.45,;-3.31,-3.99,;-4.65,-1.68,;-5.98,-2.45,;-5.98,-3.99,;-4.65,-4.76,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-9.98,-6.3,;-8.65,-8.61,;-9.98,-9.38,;-9.98,-10.92,;-8.65,-11.69,;-7.31,-10.92,;-7.31,-9.38,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-3.31,.68,;-3.31,2.22,;.69,-.2,;.69,-1.74,;6.02,9.1,;4.69,9.87,;4.69,11.41,;6.02,12.18,;7.36,11.41,;7.36,9.87,)|
CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c2c(=O)c(C)c(-c2c(C)c(=O)c4c(C(=O)NCCc5ccc(CC)cc5)c(O)c(O)cc4c2=O)c3=O)cc1 |(-7.31,-14,;-8.65,-13.23,;-8.65,-11.69,;-9.98,-10.92,;-9.98,-9.38,;-8.65,-8.61,;-8.65,-7.07,;-7.31,-6.3,;-7.31,-4.76,;-5.98,-3.99,;-4.65,-4.76,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;2.02,5.25,;4.69,5.25,;4.69,6.79,;6.02,7.56,;6.02,9.1,;4.69,9.87,;4.69,11.41,;6.02,12.18,;6.02,13.72,;7.36,14.49,;7.36,11.41,;7.36,9.87,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-7.31,-9.38,;-7.31,-10.92,)|
OCCN1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
CCN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
OCCN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
O[C@H](CF)CN1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CC1 |r|
O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(CCOP(O)(O)=O)CCOP(O)(O)=O)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
CCN(CCOP(O)(O)=O)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
CN(CCOP(O)(O)=O)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCN(CCOP(O)(O)=O)CC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](N)c1ccccc1-c1ccc(Cl)cc1 |r|
CCN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](N)c1ccccc1-c1ccc(Cl)cc1 |r|
N[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCN(CCO)CC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
O[C@@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O)c1ccccc1-c1ccc(Cl)cc1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](C#N)c1ccccc1-c1ccc(Cl)cc1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@H](C#N)c1ccccc1-c1ccc(Cl)cc1 |r|
CCN(CC)C[C@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
CCN(CC)C[C@@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
OC[C@H]1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1 |r|
OC[C@@H]1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1 |r|
OC[C@@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
OC[C@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
CCN(CC)CC1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1 |r|
CC(C)(C)OP(O)(=O)OCO[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
CCOP(=O)(OCC)O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
COP(O)(=O)O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
N[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
CNCC(=O)N[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
NCC(=O)N[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
CN(C)[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
Cc1cc2c(C(=O)Cc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)Cc3ccccc3)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;10.67,-9.24,;12,-10.01,;12,-11.55,;10.67,-12.32,;9.34,-11.55,;9.34,-10.01,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;1.33,2.31,;-1.33,2.31,;-1.33,3.85,;-2.67,4.62,;-2.67,6.16,;-1.33,6.93,;,6.16,;,4.62,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
CCc1cc2c(C(=O)CC(C)C)c(O)c(O)cc2c(O)c1-c1c(CC)cc2c(C(=O)CC(C)C)c(O)c(O)cc2c1O |(4,-6.93,;4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;10.67,-9.24,;12,-10.01,;9.34,-10.01,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;5.33,1.54,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;1.33,2.31,;1.33,3.85,;,4.62,;2.67,4.62,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
CCCCC(CC)CC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)CC(CC)CCCC)c(O)c(O)cc2c1O |(-10.67,-16.94,;-9.34,-16.17,;-9.34,-14.63,;-8,-13.86,;-8,-12.32,;-9.34,-11.55,;-10.67,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-5.33,-9.24,;-4,-10.01,;-4,-11.55,;-2.67,-9.24,;-1.33,-10.01,;-2.67,-7.7,;-4,-6.93,;-4,-5.39,;-2.67,-4.62,;-5.33,-4.62,;-6.67,-5.39,;-8,-4.62,;-6.67,-6.93,;-5.33,-7.7,;-5.33,-3.08,;-4,-2.31,;-2.67,-3.08,;-4,-.77,;-5.33,,;-5.33,1.54,;-4,2.31,;-4,3.85,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,4.62,;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;-6.67,2.31,;-6.67,3.85,;-8,1.54,;-9.34,2.31,;-8,,;-6.67,-.77,;-6.67,-2.31,;-8,-3.08,)|
Cc1cc2c(C(=O)C3CCCC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)C3CCCC3)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;12.08,-7.07,;13.11,-8.22,;12.34,-9.55,;10.83,-9.23,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;1.33,2.31,;1.49,3.84,;3,4.16,;3.77,2.83,;2.74,1.68,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
Cc1cc2c(C(=O)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)c3ccccc3)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;12,-6.93,;13.34,-7.7,;13.34,-9.24,;12,-10.01,;10.67,-9.24,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;1.33,2.31,;1.33,3.85,;2.67,4.62,;4,3.85,;4,2.31,;2.67,1.54,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
Cc1cc2c(C(=O)c3cccc4ccccc34)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)c3cccc4ccccc34)c(O)c(O)cc2c1O |(10.67,-4.62,;10.67,-3.08,;12,-2.31,;12,-.77,;13.34,,;14.67,-.77,;14.67,-2.31,;16,,;16,1.54,;17.34,2.31,;18.67,1.54,;18.67,,;20.01,-.77,;20.01,-2.31,;18.67,-3.08,;17.34,-2.31,;17.34,-.77,;13.34,1.54,;14.67,2.31,;12,2.31,;12,3.85,;10.67,1.54,;10.67,,;9.34,-.77,;8,,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;5.33,-4.62,;4,-5.39,;2.67,-4.62,;1.33,-5.39,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;4,-6.93,;2.67,-7.7,;5.33,-7.7,;5.33,-9.24,;6.67,-6.93,;6.67,-5.39,;8,-4.62,;9.34,-5.39,)|
Cc1cc2c(C(=O)c3ccc(cc3)C(F)(F)F)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)c3ccc(cc3)C(F)(F)F)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;12,-6.93,;13.34,-7.7,;13.34,-9.24,;12,-10.01,;10.67,-9.24,;14.67,-10.01,;16,-10.78,;15.44,-8.68,;13.9,-11.34,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;1.33,2.31,;1.33,3.85,;2.67,4.62,;4,3.85,;4,2.31,;2.67,1.54,;5.33,4.62,;6.67,5.39,;6.1,3.29,;4.56,5.95,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
Cc1ccc(CC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)Cc4ccc(C)cc4)c(O)c(O)cc3c2O)cc1 |(10.67,-13.86,;10.67,-12.32,;12,-11.55,;12,-10.01,;10.67,-9.24,;10.67,-7.7,;9.34,-6.93,;8,-7.7,;9.34,-5.39,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;5.33,-4.62,;4,-5.39,;6.67,-5.39,;8,-4.62,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;1.33,2.31,;-1.33,2.31,;-1.33,3.85,;-2.67,4.62,;-2.67,6.16,;-1.33,6.93,;-1.33,8.47,;,6.16,;,4.62,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;9.34,-10.01,;9.34,-11.55,)|
Cc1cc2c(C(=O)Cc3cccc(Br)c3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)Cc3cccc(Br)c3)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;10.67,-9.24,;9.34,-10.01,;9.34,-11.55,;10.67,-12.32,;12,-11.55,;13.34,-12.32,;12,-10.01,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;1.33,2.31,;-1.33,2.31,;-1.33,3.85,;,4.62,;,6.16,;-1.33,6.93,;-2.67,6.16,;-4,6.93,;-2.67,4.62,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
Cc1cc2c(C(=O)Cc3ccc(OC(F)(F)F)cc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)Cc3ccc(OC(F)(F)F)cc3)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;10.67,-9.24,;12,-10.01,;12,-11.55,;10.67,-12.32,;10.67,-13.86,;9.34,-14.63,;8,-15.4,;10.11,-15.96,;8.57,-13.3,;9.34,-11.55,;9.34,-10.01,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;1.33,2.31,;-1.33,2.31,;-1.33,3.85,;-2.67,4.62,;-2.67,6.16,;-1.33,6.93,;-1.33,8.47,;-2.67,9.24,;-4,10.01,;-1.9,10.57,;-3.44,7.91,;,6.16,;,4.62,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
Cc1cc2c(C(=O)CCc3ccc(F)cc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)CCc3ccc(F)cc3)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;10.67,-9.24,;12,-10.01,;13.34,-9.24,;14.67,-10.01,;14.67,-11.55,;16,-12.32,;13.34,-12.32,;12,-11.55,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;1.33,2.31,;1.33,3.85,;,4.62,;-1.33,3.85,;-2.67,4.62,;-2.67,6.16,;-4,6.93,;-1.33,6.93,;,6.16,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCN4CCN(Cc5nccs5)CC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:64|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC45CC6CC(C[C@@](O)(C6)C4)C5)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |r,c:64,TLB:28:29:32:37.34.35,36:35:32:30.39.29,THB:38:29:32:37.34.35,38:35:32:30.39.29|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC45CC6CC(C[C@@](O)(C6)C4)C5)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |r,c:64,TLB:28:29:32:34.37.35,36:35:32:39.30.29,THB:30:31:34:39.29.38,30:29:34:32.31.37,38:29:32:34.37.35,38:35:32:39.30.29|
CN1[C@H]2CC[C@@H]1CC(C2)Nc1ccccc1CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2ccccc2)c1 |r,TLB:9:7:3.4:1|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccccc3)c2)=C(C1)c1ccc(Cl)cc1 |c:55|
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccccc3)c2)C1)c1ccc(Cl)cc1 |t:5|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ncc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ncc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4NCCCc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:60|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2NCCCc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:50|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(Cc2cc(CN3CCCC3)ccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(Cc2cc(CCN3CCCC3)ccc2-c2ccc(Cl)cc2)CC1
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:62|
Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(cc2)N2C(=O)C3CCC3C2=O)c(Oc2ccccc2)c1
CC1CC(=O)NN=C1c1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |c:6|
CC1(C)CN(C1=O)c1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cnn(n1)-c1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccccc2OCCN2CCCCC2)c(Oc2ccccc2)c1
CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2ccccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2ccccc2c1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
FC(F)(F)S(=O)(=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2ccccc2c1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2cnccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2cc[nH]c2c1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)C1)c1ccc(Cl)cc1 |t:5|
CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |t:47|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47|
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)C1)c1ccc(Cl)cc1 |t:5|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |t:47|
CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47|
[O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
COc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Cc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
FC(F)(F)S(=O)(=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
FC(F)(F)S(=O)(=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)Cl)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:51|
COc1ccc(cc1)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)CCC(C)(C)C1 |c:9|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(cc1)C(F)(F)F |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(OC(F)(F)F)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1cccc(c1)C(F)(F)F |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1cccc(F)c1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(F)cc1 |c:58|
CN1CCC(CC1)Nc1ccc(cc1S(=O)(=O)C(F)(F)Cl)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CCCC2)c2ccc(Cl)cc2)CC1 |t:49|
CN1CCC(CC1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53|
Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCCCN3CCOCC3)cc2)c(Oc2ccccc2)c1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccnc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CN1CCN(CCNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccccc2)N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)CC1
CN1CCN(CCCNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccccc2)N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)CC1
CN(C)CCCN(C)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CN1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccccc2)N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)CC1
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CN(C)CCCNc1ccc(cc1C#N)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(ccc1NCCCN1CCCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CN(C)CCCNc1ccc(cc1C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CC(C)N(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CN(C)CCCOc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CN1CCN(CCNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:48|
CN1CCN(CCCNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:49|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49|
CN1CCN(CCCNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]ccc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:49|
CN(C)CCCOc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47|
CN1CCN(CCNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]ccc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:48|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49|
CN1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:47|
CN1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]ccc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:47|
CN1CCN(CC1)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:48|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC(F)(F)F)CC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
CN(C)C1(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CCN(C)CC1 |t:46|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2cc(OCCCN3CCCCC3)ccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2cc(OCCN3CCOCC3)ccc2-c2ccc(Cl)cc2)CC1
CN(C)CCCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccccc3)c2)c1)-c1ccc(Cl)cc1
FC(F)(F)S(=O)(=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2cc(OCCN3CCOCC3)ccc2-c2ccc(Cl)cc2)CC1
FC(F)(F)S(=O)(=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2cc(OCCCN3CCCCC3)ccc2-c2ccc(Cl)cc2)CC1
CN(C)CCCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)S(=O)(=O)C(F)(F)F)c(Oc3ccccc3)c2)c1)-c1ccc(Cl)cc1
CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)S(=O)(=O)C(F)(F)F)c(Oc3ccccc3)c2)c1)-c1ccc(Cl)cc1
CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3ccccc3)c2)c1)-c1ccc(Cl)cc1
CN(C)CCOc1cccc(c1CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2ccccc2)c1)-c1ccc(Cl)cc1
CN(C)CCOc1cccc(c1CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCCCN3CCCC3)c(c2)[N+]([O-])=O)c(Oc2ccccc2)c1)-c1ccc(Cl)cc1
CN(C)CCOc1cccc(c1CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)S(=O)(=O)C(F)(F)F)c(Oc2ccccc2)c1)-c1ccc(Cl)cc1
CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)c1)-c1ccc(Cl)cc1
CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)c1)-c1ccc(Cl)cc1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(Cc2cc(OCCN3CCOCC3)ccc2-c2ccc(Cl)cc2)CC1
CN(C)CCOc1cccc(c1CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cccc3[nH]ccc23)c1)-c1ccc(Cl)cc1
CN(C)CCOc1cccc(c1CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2ccc3[nH]ccc3c2)c1)-c1ccc(Cl)cc1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(Cc2cc(OCCN3CCOCC3)ccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(Cc2c(OCCN3CCOCC3)cccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(Cc2c(OCCN3CCOCC3)cccc2-c2ccc(Cl)cc2)CC1
CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(C)CC4)c(c3)[N+]([O-])=O)c(Oc3ccccc3)c2)c1)-c1ccc(Cl)cc1
CN(C)CCOc1cccc(c1CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCCCN3CCCC3)c(c2)[N+]([O-])=O)c(Oc2ccc3[nH]ccc3c2)c1)-c1ccc(Cl)cc1
CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)c1)-c1ccc(Cl)cc1
[O-][N+](=O)c1cc(ccc1NCCCN1CCCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(Cc2cc(OCCN3CCOCC3)ccc2-c2ccc(Cl)cc2)CC1
CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC(F)(F)F)CC4)c(c3)[N+]([O-])=O)c(Oc3ccccc3)c2)c1)-c1ccc(Cl)cc1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2cc(OCCN3CCCC3)ccc2-c2ccc(Cl)cc2)CC1
CC(C)N(CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccccc3)c2)c1)-c1ccc(Cl)cc1)C(C)C
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2NCCc2c1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(ccc1NCCCN1CCCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CCCCC2)c2ccc(Cl)cc2)CC1 |t:50|
[O-][N+](=O)c1cc(ccc1NCCCN1CCCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CCCCCC2)c2ccc(Cl)cc2)CC1 |w:45.57|
[O-][N+](=O)c1cc(ccc1NCCCN1CCCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CCC2)c2ccc(Cl)cc2)CC1 |t:50|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)C2)c2ccc(Cl)cc2)CC1 |t:49|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)OC2)c2ccc(Cl)cc2)CC1 |t:49|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CCCCCC2)c2ccc(Cl)cc2)CC1 |w:44.56|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CCCCC2)c2ccc(Cl)cc2)CC1 |t:49|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CCC2)c2ccc(Cl)cc2)CC1 |t:49|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CCCC2)c2ccc(Cl)cc2)CC1 |t:49|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)OC2)c2ccc(Cl)cc2)CC1 |t:49|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CCCCC2)c2ccc(Cl)cc2)CC1 |t:49|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:45|
CN(C)CCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CN(C)CCCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(ccc1NC1CCN(CC1)S(=O)(=O)c1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(ccc1NC1CCN(CC1)S(=O)(=O)c1cccc2cccnc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CN(C)CC[C@H](Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1)c1cccs1
[O-][N+](=O)c1cc(ccc1NCc1cccs1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
FC(F)(F)S(=O)(=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(ccc1NCCn1ccnn1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(ccc1NCCn1nccn1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2ccccc2c1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(ccc1NCCc1ccncc1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:51|
CN(C)CCCNc1ccc(cc1C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:48|
CN(C)CCCNc1ccc(cc1C#N)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:46|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:63|
CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49|
CC(N1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cccc3[nH]ccc23)c1)c1ccccc1-c1ccc(Cl)cc1
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(N)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:63,(8.87,-14.45,;8.05,-13.14,;9.59,-13.19,;8.05,-11.6,;6.72,-10.83,;5.38,-11.6,;4.05,-10.83,;4.05,-9.29,;5.38,-8.52,;5.38,-6.98,;4.05,-6.21,;2.71,-6.98,;2.71,-8.52,;4.05,-4.67,;5.38,-3.9,;5.38,-2.36,;4.05,-1.59,;4.05,-.05,;2.71,.72,;5.38,.72,;5.38,2.26,;6.92,2.26,;3.84,2.26,;5.38,3.8,;4.05,4.57,;4.05,6.11,;5.38,6.88,;5.38,8.42,;4.05,9.19,;2.71,8.42,;1.38,9.19,;1.38,10.73,;2.71,11.5,;4.05,10.73,;.05,11.5,;-1.29,10.73,;-2.62,11.5,;-2.62,13.04,;-1.29,13.81,;.05,13.04,;6.72,6.11,;6.72,4.57,;8.05,6.88,;9.38,6.11,;8.05,8.42,;2.71,-2.36,;1.38,-1.59,;.05,-2.36,;.05,-3.9,;-1.29,-4.67,;-2.62,-3.9,;-4.08,-4.38,;-4.99,-3.13,;-4.08,-1.89,;-2.62,-2.36,;-1.29,-1.59,;2.71,-3.9,;5.38,-13.14,;6.72,-13.91,;4.05,-13.91,;4.05,-15.45,;2.71,-16.22,;1.38,-15.45,;.05,-16.22,;1.38,-13.91,;2.71,-13.14,)|
COCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:45|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@@H]4CCCOC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CCCOC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)CO1)c1ccc(Cl)cc1 |t:4|
CN1CCC(O)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:48|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)c(F)c1Oc1ccc2[nH]ccc2c1 |t:34|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2F)=C(C1)c1ccc(Cl)cc1 |c:64|
CN1CCC(O)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]ccc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:48|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(Cc5ccccc5)C[C@@H]4O)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:65|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(N)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
COCCN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:52|
CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CCO)CC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
COCCN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:52|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CCCO)CC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:60|
CN(C)CCCc1cccc(c1CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cccc3[nH]ccc23)c1)-c1ccc(Cl)cc1
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CCCO)CC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:60|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(Cc2cc(ccc2-c2ccc(Cl)cc2)N2CCOCC2)CC1
CN(C)CCOc1cccc(c1CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC3CCN(CC3)C3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cccc3[nH]ccc23)c1)-c1ccc(Cl)cc1
CCN(CC)C1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53,(4.92,15.64,;6.26,14.87,;6.26,13.33,;4.92,12.56,;4.92,11.02,;7.59,12.56,;7.59,11.02,;8.92,10.25,;10.26,11.02,;10.26,12.56,;8.92,13.33,;11.59,10.25,;11.59,8.71,;10.26,7.94,;10.26,6.4,;11.59,5.63,;12.93,6.4,;12.93,7.94,;14.26,8.71,;14.26,10.25,;15.59,7.94,;11.59,4.09,;13.13,4.09,;10.05,4.09,;11.59,2.55,;10.26,1.78,;8.92,2.55,;10.26,.24,;11.59,-.53,;11.59,-2.07,;10.26,-2.84,;8.92,-2.07,;8.92,-.53,;7.59,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;10.26,-4.38,;11.59,-5.15,;11.59,-6.69,;10.26,-7.46,;10.26,-9,;11.59,-9.77,;11.59,-11.31,;12.93,-12.08,;14.26,-11.31,;15.08,-12.62,;15.8,-11.37,;14.26,-9.77,;12.93,-9,;10.26,-12.08,;10.26,-13.62,;8.92,-14.39,;7.59,-13.62,;6.26,-14.39,;7.59,-12.08,;8.92,-11.31,;8.92,-6.69,;8.92,-5.15,)|
CN(C)C1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:51,(-8.41,7.94,;-7.08,7.17,;-7.08,5.63,;-5.75,7.94,;-4.41,7.17,;-3.08,7.94,;-3.08,9.48,;-4.41,10.25,;-5.75,9.48,;-1.74,10.25,;-.41,9.48,;-.41,7.94,;.92,7.17,;2.26,7.94,;2.26,9.48,;.92,10.25,;.92,11.79,;-.41,12.56,;2.26,12.56,;3.59,7.17,;4.36,8.5,;2.82,5.83,;4.92,6.4,;4.92,4.86,;3.59,4.09,;6.26,4.09,;7.59,4.86,;8.92,4.09,;8.92,2.55,;7.59,1.78,;6.26,2.55,;4.92,1.78,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;10.26,1.78,;11.59,2.55,;12.93,1.78,;12.93,.24,;14.26,-.53,;15.59,.24,;16.93,-.53,;18.26,.24,;18.26,1.78,;19.8,1.83,;19.08,3.08,;16.93,2.55,;15.59,1.78,;16.93,-2.07,;18.26,-2.84,;18.26,-4.38,;16.93,-5.15,;16.93,-6.69,;15.59,-4.38,;15.59,-2.84,;11.59,-.53,;10.26,.24,)|
CCN(CC)C1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53,(-9.75,7.17,;-8.41,7.94,;-7.08,7.17,;-7.08,5.63,;-5.75,4.86,;-5.75,7.94,;-4.41,7.17,;-3.08,7.94,;-3.08,9.48,;-4.41,10.25,;-5.75,9.48,;-1.74,10.25,;-.41,9.48,;-.41,7.94,;.92,7.17,;2.26,7.94,;2.26,9.48,;.92,10.25,;.92,11.79,;-.41,12.56,;2.26,12.56,;3.59,7.17,;4.36,8.5,;2.82,5.83,;4.92,6.4,;4.92,4.86,;3.59,4.09,;6.26,4.09,;7.59,4.86,;8.92,4.09,;8.92,2.55,;7.59,1.78,;6.26,2.55,;4.92,1.78,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;10.26,1.78,;11.59,2.55,;12.93,1.78,;12.93,.24,;14.26,-.53,;15.59,.24,;16.93,-.53,;18.26,.24,;18.26,1.78,;19.8,1.83,;19.08,3.08,;16.93,2.55,;15.59,1.78,;16.93,-2.07,;18.26,-2.84,;18.26,-4.38,;16.93,-5.15,;16.93,-6.69,;15.59,-4.38,;15.59,-2.84,;11.59,-.53,;10.26,.24,)|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:63,(17.13,-3.2,;15.59,-3.25,;16.4,-1.95,;14.25,-2.48,;12.92,-3.25,;12.92,-4.79,;11.59,-5.56,;10.25,-4.79,;10.25,-3.25,;8.92,-2.48,;7.58,-3.25,;7.58,-4.79,;8.92,-5.56,;6.25,-2.48,;6.25,-.94,;4.92,-.17,;3.58,-.94,;2.25,-.17,;.92,-.94,;2.25,1.37,;.92,2.14,;1.69,3.47,;.15,.8,;-.42,2.91,;-1.75,2.14,;-3.09,2.91,;-3.09,4.45,;-4.42,5.22,;-5.75,4.45,;-5.75,2.91,;-7.09,2.14,;-8.42,2.91,;-8.42,4.45,;-7.09,5.22,;-9.75,2.14,;-9.75,.6,;-11.09,-.17,;-12.42,.6,;-12.42,2.14,;-11.09,2.91,;-1.75,5.22,;-.42,4.45,;-1.75,6.76,;-.42,7.53,;-3.09,7.53,;3.58,-2.48,;2.25,-3.25,;2.25,-4.79,;3.58,-5.56,;3.58,-7.1,;2.25,-7.87,;.92,-7.1,;-.55,-7.58,;-1.45,-6.33,;-.55,-5.09,;.92,-5.56,;4.92,-3.25,;14.25,-5.56,;15.59,-4.79,;14.25,-7.1,;15.59,-7.87,;15.59,-9.41,;14.25,-10.18,;14.25,-11.72,;12.92,-9.41,;12.92,-7.87,)|
CN(C)CCOc1cccc(c1CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC3CCN(C)CC3)c(c2)[N+]([O-])=O)c(Oc2cccc3[nH]ccc23)c1)-c1ccc(Cl)cc1
CC(N1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC3CCN(C)CC3)c(c2)[N+]([O-])=O)c(Oc2cccc3[nH]ccc23)c1)c1ccccc1-c1ccc(Cl)cc1
CN(C)C1(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CCOCC1 |t:46|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCCCC4N)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CN(C)CC#Cc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)c1)-c1ccc(Cl)cc1
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CCCC(F)(F)F)CC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:63|
CN1CCC(O)(CCNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:49|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)c4nccs4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:62|
OCCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)c1)-c1ccc(Cl)cc1
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC5CC5)CC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
CN1CCN(CC1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CCCC(F)(F)F)CC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:63|
CC(N1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NN3CCN(C)CC3)c(c2)[N+]([O-])=O)c(Oc2cccc3[nH]ccc23)c1)c1ccccc1-c1ccc(Cl)cc1
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)C(CO)C1 |t:49|
CC1(C)CCC(CN2CCN(CC2CO)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:65|
CN1CCN(CC1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(Cc2cc(OCCO)ccc2-c2ccc(Cl)cc2)CC1
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCNC(=O)C4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:60|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCNC(=O)C4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:60|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CCC(O)C2)c2ccc(Cl)cc2)CC1 |t:49|
OC1CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)C1)c1ccc(Cl)cc1 |t:4|
CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CCC(O)C2)c2ccc(Cl)cc2)CC1 |t:49|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4Cc5ccccc5C4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:67|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4Cc5ccccc5C4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:67|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(CCCCC4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:64|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(Cc5cscn5)CC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:63|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(CO)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NN4CCN(CCO)CC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CN1CC[C@@H](C1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:48|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CCCF)CC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:60|
CC1(C)CCC(CN2CCN(CC2CO)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CC1(C)CCC(CN2CCN(CC2CO)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(N)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:60|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(O)CCCCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
COCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:45|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4(CO)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4(CO)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC(CO)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CCn5cccn5)CC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:64|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:42|
CNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:42|
CC(N1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCCCN3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cccc3[nH]ccc23)c1)c1ccccc1-c1ccc(Cl)cc1
OC1CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)C1)c1ccc(Cl)cc1 |t:4|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CCC(C2)N2CCOCC2)c2ccc(Cl)cc2)CC1 |t:49|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(N)CCCCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCN4CCCC4=O)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC(N1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2ccc3[nH]ccc3c2)c1)c1ccccc1-c1ccc(Cl)cc1
CC(N1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2ccc3[nH]ccc3c2)c1)C1=C(CC(C)(C)CC1)c1ccc(Cl)cc1 |t:53|
CC(N1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NN3CCN(C)CC3)c(c2)[N+]([O-])=O)c(Oc2ccc3[nH]ccc3c2)c1)C1=C(CC(C)(C)CC1)c1ccc(Cl)cc1 |t:53|
C[C@@H](N1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cccc3[nH]ccc23)c1)c1ccccc1-c1ccc(Cl)cc1
C[C@H](N1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cccc3[nH]ccc23)c1)c1ccccc1-c1ccc(Cl)cc1
CC(N1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCCCN3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2ccc3[nH]ccc3c2)c1)C1=C(CC(C)(C)CC1)c1ccc(Cl)cc1 |t:55|
CC(N1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC3CCN(CC3)C3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2ccc3[nH]ccc3c2)c1)C1=C(CC(C)(C)CC1)c1ccc(Cl)cc1 |t:59|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCCCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCCOC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)COC1 |t:44|
COC1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:50,(6.26,14.87,;6.26,13.33,;7.59,12.56,;7.59,11.02,;8.92,10.25,;10.26,11.02,;10.26,12.56,;8.92,13.33,;11.59,10.25,;11.59,8.71,;10.26,7.94,;10.26,6.4,;11.59,5.63,;12.93,6.4,;12.93,7.94,;14.26,8.71,;14.26,10.25,;15.59,7.94,;11.59,4.09,;13.13,4.09,;10.05,4.09,;11.59,2.55,;10.26,1.78,;8.92,2.55,;10.26,.24,;11.59,-.53,;11.59,-2.07,;10.26,-2.84,;8.92,-2.07,;8.92,-.53,;7.59,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;10.26,-4.38,;11.59,-5.15,;11.59,-6.69,;10.26,-7.46,;10.26,-9,;11.59,-9.77,;11.59,-11.31,;12.93,-12.08,;14.26,-11.31,;15.08,-12.62,;15.8,-11.37,;14.26,-9.77,;12.93,-9,;10.26,-12.08,;10.26,-13.62,;8.92,-14.39,;7.59,-13.62,;6.26,-14.39,;7.59,-12.08,;8.92,-11.31,;8.92,-6.69,;8.92,-5.15,)|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCS(=O)(=O)CC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCN4CCCCC4=O)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCN4CCNC4=O)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:55|
COC1CCN(CC1)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CCC(C2)N2CCCC2)c2ccc(Cl)cc2)CC1 |t:49|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCN4CCNC(=O)C4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NN4CCN(C)CC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)c1)-c1ccc(Cl)cc1
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCS(=O)(=O)C4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCS(=O)(=O)C4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)C(F)(F)F)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(CCC4OCCO4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCN4CCNC(=O)C4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CN1CC(CC1=O)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49|
CN1CC(CCC1=O)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:50|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NN4CCCCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NN4CCCCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
Cn1ncc(c1CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2ccc3[nH]ccc3c2)c1)-c1ccc(Cl)cc1
CC1(COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)COC1 |t:44|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCc4cncs4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)C1)c1ccc(Cl)cc1 |t:5|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCOC(F)(F)F)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
COCCOCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:48|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCS(C)(=O)=O)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCS(=O)(=O)CC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(CCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4COCCO4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
COCCOCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:48|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCS(=O)(=O)C4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCOC(F)(F)F)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCS(=O)(=O)CC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC(F)F)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:53|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)S(=O)(=O)C(F)(F)F)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)S(=O)(=O)C(F)(F)F)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(F)(F)CC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC(C)n1cc(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)c(cc1=O)-c1ccc(Cl)cc1
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(cc3)C(=O)NCC3CCOCC3)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
COCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCC(O)CC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58,(8.94,-13.2,;8.12,-11.89,;9.66,-11.95,;8.12,-10.35,;6.79,-9.58,;5.46,-10.35,;4.12,-9.58,;4.12,-8.04,;5.46,-7.27,;5.46,-5.73,;4.12,-4.96,;2.79,-5.73,;2.79,-7.27,;4.12,-3.42,;5.46,-2.65,;5.46,-1.11,;4.12,-.34,;4.12,1.2,;5.46,1.97,;2.79,1.97,;2.79,3.51,;2.79,5.05,;4.33,3.51,;1.25,3.51,;.48,2.17,;-1.06,2.17,;-1.83,3.51,;-3.37,3.51,;-4.14,2.17,;-5.68,2.17,;-6.45,.84,;-7.99,.84,;-8.76,2.17,;-10.3,2.17,;-7.99,3.51,;-6.45,3.51,;-1.06,4.84,;.48,4.84,;-1.83,6.17,;-1.06,7.51,;-3.37,6.17,;2.79,-1.11,;1.46,-.34,;.12,-1.11,;.12,-2.65,;-1.21,-3.42,;-2.55,-2.65,;-4.01,-3.13,;-4.92,-1.88,;-4.01,-.64,;-2.55,-1.11,;-1.21,-.34,;2.79,-2.65,;5.46,-11.89,;6.79,-12.66,;4.12,-12.66,;4.12,-14.2,;2.79,-14.97,;1.46,-14.2,;.12,-14.97,;1.46,-12.66,;2.79,-11.89,)|
COC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:48,(-10.81,3.18,;-10.04,1.85,;-8.5,1.85,;-7.73,.51,;-6.19,.51,;-5.42,1.85,;-3.88,1.85,;-3.11,3.18,;-1.57,3.18,;-.8,1.85,;.74,1.85,;1.51,3.18,;.74,4.52,;-.8,4.52,;-1.57,5.85,;-.8,7.18,;-3.11,5.85,;3.05,3.18,;3.05,4.72,;4.59,3.18,;3.05,1.64,;4.38,.87,;5.72,1.64,;4.38,-.67,;5.72,-1.44,;5.72,-2.98,;4.38,-3.75,;3.05,-2.98,;3.05,-1.44,;1.72,-.67,;.38,-1.44,;.38,-2.98,;-.95,-3.75,;-2.28,-2.98,;-3.75,-3.45,;-4.65,-2.21,;-3.75,-.96,;-2.28,-1.44,;-.95,-.67,;4.38,-5.29,;5.72,-6.06,;5.72,-7.6,;4.38,-8.37,;4.38,-9.91,;5.72,-10.68,;5.72,-12.22,;7.05,-12.99,;8.38,-12.22,;9.2,-13.52,;9.92,-12.27,;8.38,-10.68,;7.05,-9.91,;4.38,-12.99,;4.38,-14.53,;3.05,-15.3,;1.72,-14.53,;.38,-15.3,;1.72,-12.99,;3.05,-12.22,;3.05,-7.6,;3.05,-6.06,;-6.19,3.18,;-7.73,3.18,)|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
COCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCCCS(C)(=O)=O)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
COCCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:46|
COCCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:46|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCC#N)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:53|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCC#N)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:53|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCC(F)(F)F)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:55|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCC(F)(F)F)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:55|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NCC4CCOCC4)c(Br)c3)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:55|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCS(=O)(=O)C4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:46|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Br)c3)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:55|
CC(C)Oc1cc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)cn1)-c1ccc(Cl)cc1
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(c3)-c3nccs3)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:60|
COCCNC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:44|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(c3)C#N)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC(=O)N1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:51|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)S(C)(=O)=O)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:60|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4COCCO4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC(=O)N1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:51|
[O-][N+](=O)c1cc(ccc1OCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(Cc2ccc(cc2-c2ccc(Cl)cc2)C(F)(F)F)CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(Cc2ccc(cc2-c2ccc(Cl)cc2)C(F)(F)F)CC1
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCN4CCN(CC4)S(C)(=O)=O)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
CC(C)(C)c1ccc(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)c(c1)-c1ccc(Cl)cc1
CC(C)(C)c1ccc(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)c(c1)-c1ccc(Cl)cc1
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC(F)(F)F)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:54|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC(F)(F)F)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:54|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cccc(c3)C(=O)NCC3CCOCC3)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC[C@H]4COCCO4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC[C@@H]4COCCO4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)S(=O)(=O)C(F)(F)F)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:63|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)S(=O)(=O)C(F)(F)F)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:63|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NCC4CCOCC4)c(Br)c3)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:55|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCN4CCOCC4)c(c3)S(=O)(=O)C(F)(F)F)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:62|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NCC4CCOCC4)c(c3)C#N)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CN1CCC(CC1)Oc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49|
CN1CCC(COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:47|
OCCCN1CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)C1)c1ccc(Cl)cc1 |t:7|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCN(CC4)C(=O)OCc4ccccc4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:68|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c(c3)C(N)=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
[O-][N+](=O)c1cc(ccc1NC1CCN(CC1)C1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(Cc2ccc(cc2-c2ccc(Cl)cc2)C(F)(F)F)CC1
CC(C)(C)c1ccc(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)c(c1)-c1ccc(Cl)cc1
Cn1cncc1CNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N3CCOCC3)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:55|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NN4CCS(=O)(=O)CC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:63,(15.08,-12.62,;14.26,-11.31,;15.8,-11.37,;14.26,-9.77,;12.93,-9,;11.59,-9.77,;10.26,-9,;10.26,-7.46,;11.59,-6.69,;11.59,-5.15,;10.26,-4.38,;8.92,-5.15,;8.92,-6.69,;10.26,-2.84,;11.59,-2.07,;11.59,-.53,;10.26,.24,;10.26,1.78,;8.92,2.55,;11.59,2.55,;11.59,4.09,;13.13,4.09,;10.05,4.09,;11.59,5.63,;10.26,6.4,;10.26,7.94,;11.59,8.71,;11.59,10.25,;10.26,11.02,;8.92,10.25,;7.59,11.02,;7.59,12.56,;8.92,13.33,;10.26,12.56,;6.26,13.33,;4.92,12.56,;3.59,13.33,;3.59,14.87,;4.92,15.64,;6.26,14.87,;12.93,7.94,;12.93,6.4,;14.26,8.71,;15.59,7.94,;14.26,10.25,;8.92,-.53,;7.59,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;8.92,-2.07,;11.59,-11.31,;12.93,-12.08,;10.26,-12.08,;10.26,-13.62,;8.92,-14.39,;7.59,-13.62,;6.26,-14.39,;7.59,-12.08,;8.92,-11.31,)|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Br)c3)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:55|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NCC4CCOCC4)c(c3)-c3nccs3)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:60|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)C#N)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)C#N)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC(C)(C)CCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47|
CC(C)C[C@@H](CO)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:48|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CCCO4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC(C)[C@H](CO)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47|
COc1ccc(Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)cc1 |t:47|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4=O)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(Nc4ccc(O)cc4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCc4ccc(cc4)S(N)(=O)=O)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:62|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCn4ccnc4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
C[C@H](Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1)c1ccccc1 |t:43|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cc(F)c(NCC4CCOCC4)cc3Cl)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
COCCOCCSc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:48|
COCCOCCSc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:48|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(cc3)S(C)(=O)=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:49|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(cc3)S(C)(=O)=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:49|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOC(C)(C)C4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(c3)C#N)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(c3)C#N)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:55|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCCN4CCOCC4)c(c3)C#N)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:63|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC#CCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:60|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(c3)C#C)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCCN4CCOCC4)c(c3)C#N)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(c3)C#N)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
COc1ccc(Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)cc1O |t:47|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2NCCc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Nc1cccnc1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:45|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Nc3cccnc3)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccnc3)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4CNCCc34)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:63|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:63,(-5.31,9.05,;-4.59,7.69,;-3.86,9.05,;-3.25,6.92,;-3.25,5.38,;-4.59,4.61,;-4.59,3.07,;-3.25,2.3,;-3.25,.76,;-1.92,-.01,;-.58,.76,;-.58,2.3,;-1.92,3.07,;.75,-.01,;.75,-1.55,;2.08,-2.32,;3.42,-1.55,;4.75,-2.32,;6.08,-1.55,;4.75,-3.86,;6.08,-4.63,;5.31,-5.96,;6.85,-3.29,;7.42,-5.4,;7.42,-6.94,;8.75,-7.71,;10.09,-6.94,;11.42,-7.71,;11.42,-9.25,;12.75,-10.02,;12.75,-11.56,;11.42,-12.33,;10.09,-11.56,;10.09,-10.02,;11.42,-13.87,;12.75,-14.64,;12.75,-16.18,;11.42,-16.95,;10.09,-16.18,;10.09,-14.64,;10.09,-5.4,;8.75,-4.63,;11.42,-4.63,;11.42,-3.09,;12.75,-5.4,;3.42,-.01,;4.75,.76,;4.75,2.3,;6.08,3.07,;6.08,4.61,;4.75,5.38,;3.42,4.61,;1.95,5.09,;1.05,3.84,;1.95,2.6,;3.42,3.07,;2.08,.76,;-5.92,5.38,;-5.92,6.92,;-7.25,4.61,;-7.25,3.07,;-8.59,2.3,;-9.92,3.07,;-11.25,2.3,;-9.92,4.61,;-8.59,5.38,)|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(c3)C#N)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(CC(F)F)C4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(c3)C(F)(F)F)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CN(CCO4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCC(F)(F)CC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NCC4(F)CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
COC1CCC(COc2ncc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]ncc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:46,(17.62,-8.45,;16.29,-9.22,;14.96,-8.45,;14.96,-6.91,;13.62,-6.14,;12.29,-6.91,;10.96,-6.14,;9.62,-6.91,;8.29,-6.14,;6.95,-6.91,;5.62,-6.14,;5.62,-4.6,;6.95,-3.83,;8.29,-4.6,;9.62,-3.83,;4.29,-3.83,;5.06,-2.5,;3.52,-5.17,;2.95,-3.06,;1.62,-3.83,;1.62,-5.37,;.29,-3.06,;-1.05,-3.83,;-2.38,-3.06,;-2.38,-1.52,;-1.05,-.75,;.29,-1.52,;1.62,-.75,;1.62,.79,;2.95,1.56,;2.95,3.1,;1.62,3.87,;.29,3.1,;-1.18,3.57,;-2.08,2.33,;-1.18,1.08,;.29,1.56,;-3.71,-.75,;-5.05,-1.52,;-6.38,-.75,;-6.38,.79,;-7.72,1.56,;-7.72,3.1,;-9.05,3.87,;-9.05,5.41,;-7.72,6.18,;-8.44,7.54,;-6.99,7.54,;-6.38,5.41,;-6.38,3.87,;-10.38,3.1,;-10.38,1.56,;-11.72,.79,;-13.05,1.56,;-14.38,.79,;-13.05,3.1,;-11.72,3.87,;-5.05,1.56,;-3.71,.79,;12.29,-8.45,;13.62,-9.22,)|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CN(CC(F)F)CCO4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(F)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:63|
CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCN(CC#N)CC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:54|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCC(O)CC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56,(-12.72,-.61,;-11.18,-.56,;-12,-1.86,;-9.85,-1.33,;-8.52,-.56,;-8.52,.98,;-7.18,1.75,;-5.85,.98,;-5.85,-.56,;-4.52,-1.33,;-3.18,-.56,;-3.18,.98,;-4.52,1.75,;-1.85,-1.33,;-1.85,-2.87,;-.51,-3.64,;.82,-2.87,;2.15,-3.64,;2.15,-5.18,;3.49,-2.87,;4.82,-3.64,;5.59,-2.3,;4.05,-4.97,;6.15,-4.41,;6.15,-5.95,;7.49,-6.72,;8.82,-5.95,;10.16,-6.72,;11.49,-5.95,;12.82,-6.72,;14.16,-5.95,;15.49,-6.72,;15.49,-8.26,;16.82,-9.03,;14.16,-9.03,;12.82,-8.26,;8.82,-4.41,;10.16,-3.64,;7.49,-3.64,;.82,-1.33,;2.15,-.56,;2.15,.98,;3.49,1.75,;3.49,3.29,;2.15,4.06,;.82,3.29,;-.65,3.77,;-1.55,2.52,;-.65,1.28,;.82,1.75,;-.51,-.56,;-9.85,1.75,;-11.18,.98,;-9.85,3.29,;-11.18,4.06,;-11.18,5.6,;-9.85,6.37,;-9.85,7.91,;-8.52,5.6,;-8.52,4.06,)|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(O[C@@H]4CCN(CC(F)F)C4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CN(C)CC(=O)N1CCO[C@H](COc2ncc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]cnc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1 |t:51|
CN(C)CC(=O)N1CCO[C@@H](COc2ncc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]cnc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1 |t:51|
CN(C)CC(=O)N1CCO[C@H](COc2ncc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]ncc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1 |t:51|
CN(C)CC(=O)N1CCO[C@@H](COc2ncc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]ncc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1 |t:51|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:55|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(CC#N)C4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
COCCOCCN1CC[C@H](C1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:54|
CN(C)CC(=O)N1CC[C@H](C1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CN(CC#N)CCO4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:60|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CN(CCO4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CN(CCO4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:62|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(O[C@@H]4CCN(C4)C(CF)CF)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(C4)C(CF)CF)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:60|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:60|
CN(C)CC(=O)N1CCO[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]cnc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1 |t:53|
CN(C)CC(=O)N1CCO[C@@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]cnc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1 |t:53|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
COC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]cnc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:48,(-10.74,-10.44,;-9.2,-10.44,;-8.43,-9.1,;-6.89,-9.1,;-6.12,-7.77,;-6.89,-6.44,;-6.12,-5.1,;-6.89,-3.77,;-6.12,-2.44,;-4.58,-2.44,;-3.81,-1.1,;-4.58,.23,;-6.12,.23,;-6.89,-1.1,;-8.43,-1.1,;-9.2,.23,;-9.2,-2.44,;-3.81,1.56,;-5.15,2.33,;-3.04,2.9,;-2.48,.79,;-1.15,1.56,;-1.15,3.1,;.19,.79,;1.52,1.56,;2.86,.79,;2.86,-.75,;1.52,-1.52,;.19,-.75,;-1.15,-1.52,;-1.15,-3.06,;.19,-3.83,;.19,-5.37,;-1.15,-6.14,;-2.48,-5.37,;-3.94,-5.84,;-4.85,-4.6,;-3.94,-3.35,;-2.48,-3.83,;4.19,-1.52,;5.52,-.75,;6.86,-1.52,;6.86,-3.06,;8.19,-3.83,;9.52,-3.06,;10.86,-3.83,;12.19,-3.06,;12.19,-1.52,;13.73,-1.46,;13.01,-.21,;10.86,-.75,;9.52,-1.52,;10.86,-5.37,;12.19,-6.14,;12.19,-7.68,;10.86,-8.45,;10.86,-9.99,;9.52,-7.68,;9.52,-6.14,;5.52,-3.83,;4.19,-3.06,;-8.43,-6.44,;-9.2,-7.77,)|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(F)c3)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OC[C@@H]4CCN(C4)C(CF)CF)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OC[C@@H]4CCN(CC(F)F)C4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
COC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]ncc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:48,(14.67,-16.26,;14.67,-14.72,;13.34,-13.95,;13.34,-12.41,;12.01,-11.64,;10.67,-12.41,;9.34,-11.64,;9.34,-10.1,;8,-9.33,;6.67,-10.1,;5.34,-9.33,;5.34,-7.79,;6.67,-7.02,;8,-7.79,;9.34,-7.02,;9.34,-5.48,;10.67,-7.79,;4,-7.02,;3.23,-8.36,;4.77,-5.69,;2.67,-6.25,;2.67,-4.71,;4,-3.94,;1.34,-3.94,;0,-4.71,;-1.33,-3.94,;-1.33,-2.4,;0,-1.63,;1.34,-2.4,;2.67,-1.63,;2.67,-.09,;4,.68,;4,2.22,;2.67,2.99,;1.34,2.22,;-.13,2.69,;-1.03,1.45,;-.13,.2,;1.34,.68,;-2.67,-1.63,;-4,-2.4,;-5.33,-1.63,;-5.33,-.09,;-6.67,.68,;-6.67,2.22,;-8,2.99,;-8,4.53,;-6.67,5.3,;-7.39,6.66,;-5.94,6.66,;-5.33,4.53,;-5.33,2.99,;-9.33,2.22,;-9.33,.68,;-10.67,-.09,;-12,.68,;-13.33,-.09,;-12,2.22,;-10.67,2.99,;-4,.68,;-2.67,-.09,;10.67,-13.95,;12.01,-14.72,)|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NC4CCN(CC4)C4CC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NC4CCN(CC4)C4CC4)c(Cl)c3)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:60|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:63,(16.76,-3.2,;15.22,-3.25,;16.04,-1.95,;13.89,-2.48,;12.56,-3.25,;12.56,-4.79,;11.22,-5.56,;9.89,-4.79,;9.89,-3.25,;8.56,-2.48,;7.22,-3.25,;7.22,-4.79,;8.56,-5.56,;5.89,-2.48,;5.89,-.94,;4.55,-.17,;3.22,-.94,;1.89,-.17,;.55,-.94,;1.89,1.37,;.55,2.14,;1.32,3.47,;-.22,.8,;-.78,2.91,;-2.11,2.14,;-3.45,2.91,;-3.45,4.45,;-4.78,5.22,;-6.12,4.45,;-6.12,2.91,;-7.45,2.14,;-8.78,2.91,;-8.78,4.45,;-7.45,5.22,;-10.12,2.14,;-10.12,.6,;-11.45,-.17,;-12.78,.6,;-12.78,2.14,;-11.45,2.91,;-2.11,5.22,;-.78,4.45,;-2.11,6.76,;-.78,7.53,;-3.45,7.53,;3.22,-2.48,;1.89,-3.25,;1.89,-4.79,;3.22,-5.56,;3.22,-7.1,;1.89,-7.87,;.55,-7.1,;-.91,-7.58,;-1.82,-6.33,;-.91,-5.09,;.55,-5.56,;4.55,-3.25,;13.89,-5.56,;15.22,-4.79,;13.89,-7.1,;15.22,-7.87,;15.22,-9.41,;13.89,-10.18,;13.89,-11.72,;12.56,-9.41,;12.56,-7.87,)|
CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49|
CN1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]cnc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:47|
COCCOCCN1CCO[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]cnc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1 |t:54|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCC(F)(F)CC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:59|
CC(=O)N1CCOC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]cnc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1 |t:50|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CN(CCO4)S(C)(=O)=O)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCN(CC4)C(CF)CF)c(c3)C(F)(F)F)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:64|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccccc3)c2)=C(C1)c1ccc(Cl)cc1 |c:53|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCCC4CCCO4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:55|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCC(CC4)C#N)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:59,(13.7,-1.45,;12.16,-1.51,;12.97,-.2,;10.82,-.74,;9.49,-1.51,;9.49,-3.05,;8.16,-3.82,;6.82,-3.05,;6.82,-1.51,;5.49,-.74,;4.16,-1.51,;4.16,-3.05,;5.49,-3.82,;2.82,-.74,;2.82,.8,;1.49,1.57,;.15,.8,;-1.18,1.57,;-1.18,3.11,;-2.51,.8,;-3.85,1.57,;-5.18,2.34,;-3.08,2.91,;-4.62,.24,;-3.85,-1.09,;-4.62,-2.43,;-6.16,-2.43,;-6.93,-3.76,;-6.16,-5.09,;-6.93,-6.43,;-6.16,-7.76,;-6.93,-9.1,;-8.47,-9.1,;-9.24,-7.76,;-8.47,-6.43,;-9.24,-10.43,;-10.01,-11.76,;-6.93,-1.09,;-6.16,.24,;-8.47,-1.09,;-9.24,.24,;-9.24,-2.43,;.15,-.74,;-1.18,-1.51,;-1.18,-3.05,;.15,-3.82,;.15,-5.36,;-1.18,-6.13,;-2.51,-5.36,;-3.98,-5.83,;-4.88,-4.59,;-3.98,-3.34,;-2.51,-3.82,;1.49,-1.51,;10.82,-3.82,;12.16,-3.05,;10.82,-5.36,;12.16,-6.13,;12.16,-7.67,;10.82,-8.44,;10.82,-9.98,;9.49,-7.67,;9.49,-6.13,)|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCC(F)(F)CC4)c(Cl)c3)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)CO1)c1ccc(Cl)cc1 |t:4|
CN1[C@H]2CC[C@@H]1CC(C2)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |r,t:52,TLB:9:7:3.4:1|
COC1(CC2CCCCC2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1cc(c(N[C@H](CCN(C)C)CSc2ccccc2)s1)[N+]([O-])=O
COC1(Cc2cccc(C)c2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1cc(c(N[C@H](CCN(C)C)CSc2ccccc2)s1)[N+]([O-])=O
[#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1sc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-[#6]-1
CC(=O)N(CCSc1ccccc1)C1CCN(CC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CN(CCSc1ccccc1)C1CCN(CC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCCC2)c2ccc(Cl)cc2)CC1 |t:45|
CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |t:45|
CC(=O)\N=c1/sc(nn1C)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CC(=O)Nc1nc(C)c(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1
Clc1nc2sccn2c1S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)N1CCOCC1
Cc1nc(C)c(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
FC(F)(F)c1scc(c1-c1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Cc1c(sc2ccc(F)cc12)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1nc2ccccc2s1
Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1cccs1
Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
COC(=O)c1ccc(n1C)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Cc1cc(-c2oncc2S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)n(C)n1
Cc1nsc(c1Cl)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Cc1c(sc2ccc(Br)cc12)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(\C=C\c2ncon2)s1
Cc1nn(CCCl)c(C)c1S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CCC(CC)NC(=O)c1nnc(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Cc1nn(C)c(Cl)c1S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1cc(sc1N1CCCCC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(o1)-c1ccno1
Cc1noc(C)c1S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cc(c(NCCCN4CCCC4)s3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
CN(C)CCCNc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:46|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cc(c(NCCCN4CCOCC4)s3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
[#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1sc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1C(F)(F)F
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:40|
Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2cc1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:44|
Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2c(F)c1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:45|
Cc1nc(OC[C@@H]2CN(CCO2)C(=O)OC(C)(C)C)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53|
Cc1nc(OC[C@@H]2CN(CCO2)C(=O)OC(C)(C)C)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53|
Cc1nc(OCC2(F)CCOCC2)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47|
Cc1nc(OCC2(F)CCOCC2)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47|
Cc1nc(OC[C@@H]2CN(CCO2)C(=O)OC(C)(C)C)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ncc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53|
Cc1nc(OCC2(F)CCOCC2)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ncc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47|
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2ccncc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2cccnc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2ccc(O)cc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CC(c1ccccc1)n1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)CCOc1ccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4cc(F)c(F)cc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(CCc2ccc(F)cc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(Cl)c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccc(F)cc4s3)c2C1
COc1ccc2nc(NC(=O)c3cccc4CCN(Cc34)c3ccc(-c4cnn(Cc5ccccc5)c4)c(n3)C(O)=O)sc2c1
Cc1nn(Cc2ccccc2)c(C)c1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |(4.85,3.64,;3.82,4.79,;4.14,6.29,;2.8,7.06,;2.64,8.59,;3.89,9.5,;3.73,11.03,;4.97,11.94,;6.38,11.31,;6.54,9.78,;5.3,8.87,;1.66,6.03,;.33,6.8,;2.29,4.62,;1.52,3.29,;2.29,1.96,;1.52,.62,;-.02,.62,;-.79,1.96,;-.02,3.29,;-.79,4.62,;-.02,5.96,;-2.33,4.62,;-.79,-.71,;-2.33,-.71,;-3.1,-2.04,;-2.33,-3.38,;-3.1,-4.71,;-2.33,-6.05,;-.79,-6.05,;-.02,-4.71,;1.52,-4.71,;2.29,-3.38,;2.29,-6.05,;3.83,-6.05,;4.73,-4.8,;6.2,-5.28,;7.53,-4.51,;8.86,-5.28,;8.86,-6.82,;7.53,-7.59,;6.2,-6.82,;4.73,-7.29,;-.79,-3.38,;-.02,-2.04,)|
Cc1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
COc1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
OC(=O)c1nc(ccc1-c1cnn(Cc2ccc(Cl)cc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(OCc3ccccc3)c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(O)c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)CCOc1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
Cc1nn(Cc2ccccc2)cc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4cccc(Cl)c4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(n2)N2CCCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(c1)-c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(c2)C#N)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2Cl)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccn2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cn(Cc2ccccc2)nc1C#N)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2ccc3ccccc3c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1noc(n1)-c1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
Cc1c(c(CO)nn1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |(.33,6.8,;1.66,6.03,;2.29,4.62,;3.82,4.79,;4.85,3.64,;6.35,3.96,;4.14,6.29,;2.8,7.06,;2.64,8.59,;3.89,9.5,;3.73,11.03,;4.97,11.94,;6.38,11.31,;6.54,9.78,;5.3,8.87,;1.52,3.29,;2.29,1.96,;1.52,.62,;-.02,.62,;-.79,1.96,;-.02,3.29,;-.79,4.62,;-.02,5.96,;-2.33,4.62,;-.79,-.71,;-2.33,-.71,;-3.1,-2.04,;-2.33,-3.38,;-3.1,-4.71,;-2.33,-6.05,;-.79,-6.05,;-.02,-4.71,;1.52,-4.71,;2.29,-3.38,;2.29,-6.05,;3.83,-6.05,;4.73,-4.8,;6.2,-5.28,;7.53,-4.51,;8.86,-5.28,;8.86,-6.82,;7.53,-7.59,;6.2,-6.82,;4.73,-7.29,;-.79,-3.38,;-.02,-2.04,)|
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2OCc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1Cc1cccc(n1)N1CCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CCOC(=O)c1nn(Cc2ccccc2)c(C)c1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |(8.34,5.75,;6.83,5.43,;6.35,3.96,;4.85,3.64,;4.37,2.18,;3.82,4.79,;4.14,6.29,;2.8,7.06,;2.64,8.59,;3.89,9.5,;3.73,11.03,;4.97,11.94,;6.38,11.31,;6.54,9.78,;5.3,8.87,;1.66,6.03,;.33,6.8,;2.29,4.62,;1.52,3.29,;2.29,1.96,;1.52,.62,;-.02,.62,;-.79,1.96,;-.02,3.29,;-.79,4.62,;-.02,5.96,;-2.33,4.62,;-.79,-.71,;-2.33,-.71,;-3.1,-2.04,;-2.33,-3.38,;-3.1,-4.71,;-2.33,-6.05,;-.79,-6.05,;-.02,-4.71,;1.52,-4.71,;2.29,-3.38,;2.29,-6.05,;3.83,-6.05,;4.73,-4.8,;6.2,-5.28,;7.53,-4.51,;8.86,-5.28,;8.86,-6.82,;7.53,-7.59,;6.2,-6.82,;4.73,-7.29,;-.79,-3.38,;-.02,-2.04,)|
CN(C)c1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
Cc1c(c(nn1Cc1ccccc1)C(O)=O)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |(.33,6.8,;1.66,6.03,;2.29,4.62,;3.82,4.79,;4.14,6.29,;2.8,7.06,;2.64,8.59,;3.89,9.5,;3.73,11.03,;4.97,11.94,;6.38,11.31,;6.54,9.78,;5.3,8.87,;4.85,3.64,;4.37,2.18,;6.35,3.96,;1.52,3.29,;2.29,1.96,;1.52,.62,;-.02,.62,;-.79,1.96,;-.02,3.29,;-.79,4.62,;-.02,5.96,;-2.33,4.62,;-.79,-.71,;-2.33,-.71,;-3.1,-2.04,;-2.33,-3.38,;-3.1,-4.71,;-2.33,-6.05,;-.79,-6.05,;-.02,-4.71,;1.52,-4.71,;2.29,-3.38,;2.29,-6.05,;3.83,-6.05,;4.73,-4.8,;6.2,-5.28,;7.53,-4.51,;8.86,-5.28,;8.86,-6.82,;7.53,-7.59,;6.2,-6.82,;4.73,-7.29,;-.79,-3.38,;-.02,-2.04,)|
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2O)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(c1)C1CCc2ccccc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(CCc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(c1)C1CCOc2ccccc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)CCOc1ccccc1Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1Cc1ccccc1F)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(CC2CCCCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1CC1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)CCCNc1ccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1[N+]([O-])=O
OC(=O)c1nc(ccc1-c1cnn(Cc2ccc(F)c(c2)[N+]([O-])=O)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2OCCN2CCOCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)CCCOc1ccccc1Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2OCc2ccncc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)CCOc1ccccc1Cn1ncc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(CC2CCOCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)CC#Cc1ccccc1Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(F)c2F)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2cc(F)cc(F)c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2cc(F)ccc2F)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2c(F)cccc2F)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(CC2CCCOC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2[N+]([O-])=O)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(c2)-c2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CC(C)(C)Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(CCC2CCCCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(c2)C(F)(F)F)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2-c2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1CC1CCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(C=O)c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2)c1-c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1CC1CCCOC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(CC2(CCCCC2)c2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)Cc1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
CS(=O)(=O)c1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
OC(=O)c1nc(ccc1-c1cnn(CC2CCCCC2)c1C1CC1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CC(C)(C)c1cc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc(c1)C(C)(C)C
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2S(=O)(=O)N2CCOCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1CC1CCC(F)(F)CC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(CC2(CCCCC2)C(F)(F)F)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(c1)C(c1ccccc1)c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2N2CCOCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(c1)C(CCN1CCOCC1)c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CC(C)(C)OC(=O)N1CCC(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CC1
Cc1c(cnn1Cc1ccccc1OCCN1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)c1ccccc1Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1Cc1ccccc1OCCCN1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1CC1(C)CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CC1(C)CCC(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)=C(C1)c1ccc(Cl)cc1 |c:48|
CCc1c(cnn1CC1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1CC1CCC2CC(C1)C2(C)C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |TLB:6:7:14:11|
Cc1c(cnn1CC1CCC2C[C@@H](C1)C2(C)C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |r|
CC(C)CC1(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
COCCC1(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
COCCOc1ccccc1Cn1ncc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
Cc1c(cnn1CC1CC2C[C@H]1C=C2)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |r,c:14|
CC1(C)CCCC(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)C1
COCCC(c1ccccc1)n1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
COCCCC(c1ccccc1)n1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
COC(=O)C(c1ccccc1)n1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cnn(c1)C(CC1CCCCC1)c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
COCCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
Cc1c(cnn1Cc1ccccc1OCC(C)(CO)CO)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1Cc1ccccc1OCC1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1Cc1ccccc1OCC1COCCO1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
COCCOC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
OC(=O)c1nc(ccc1-c1ccc(Oc2ccccc2)cc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cccc(Oc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cccc(Oc2ccc(Cl)cc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cccc(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(CC2CCCCC2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1ccc(cc1Oc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1ccc(Oc2ccccc2)cc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(Oc2ccccc2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1cc(Oc2ccccc2)ccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(OCC2CCCCC2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1cc(OC2CCCCC2)ccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(OC2CCCCC2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1cc(OCC2CCCCC2)ccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cccc(OC2CCCCC2)c1C#N)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cccc(OC2CCCCC2)c1Cl)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(NC2CCCCC2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cccc(OC2CCCCC2)c1F)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cccc(OC2CCCCC2)c1C(F)(F)F)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(OC2CCCC(C)(C)C2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cn(Cc2ccccc2)nn1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CCOC(=O)c1cc(c(C)n1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cc(C(O)=O)n1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1ccn(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1ccn(c1)C(=O)c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1ccn(c1)S(=O)(=O)c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cc(C#N)n1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cc(C#N)n1CC1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CC1CCC(CC1(Cn1ccc(c1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1)N1CCCCC1)C#N
OC(=O)c1nc(ccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1ccc2CN(Cc3ccccc3)CCc2c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
OC(=O)c1nc(ccc1-c1cnn(CC2CCNCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1ccc2CN(Cc3ccccn3)CCc2c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1ccc2CN(CCC3CCCCC3)CCc2c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(OC2CCCCC2)nccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1ccnc(OC2CCCCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1ccnc(Oc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cn(Cc2ccccc2)c2ncccc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(Oc2ccccc2)nccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(c1ccccc1)c1nccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
COCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
Cc1c(cnn1CC1(CCCC(C)(C)C1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
COCCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(=O)NS(C)(=O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
OC(=O)c1nc(ccc1-c1cnn(CC2CCCCO2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
COCC[C@@H]1[C@H]2C[C@@H](CC1Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C1)C2(C)C |r,TLB:3:4:47:6|
COCCOC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
Cc1c(cnn1C(CCN1CCOCC1)C1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1ccc2n(Cc3ccccc3)ncc2c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1CC1CCCCO1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1CC1(CCCCCC1)OCCCN1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(c1ccccc1)c1cccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
COC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
Cc1nn(C[C@@H]2CC[C@H]3C[C@@H](C2)C3(C)C)cc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |r|
Cc1c(NCC2CCCC(C)(C)C2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1CC1(CCCCC1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(Cc1nccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1)C1CCCCC1
COC1(Cn2ncc(c2C)-c2ccc(nc2C(=O)NS(C)(=O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
CC1N(CCc2cccc(C(=O)Nc3nc4ccccc4s3)c12)c1ccc(-c2cnn(CC3(C)CCCCC3)c2C)c(n1)C(O)=O
CN(C1CCCCC1)c1nccc(-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1C#N
COC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
COC1(Cn2nnc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
Cc1c(cnn1CC1(CCCCC1)OCCN1CCS(=O)(=O)CC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cc(C#N)n1CC1(CCCCC1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1CC1(CCCCC1)OCCO)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
COCC(COC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1)OC
Cc1[nH]c(C#N)c(CC2CCCCC2)c1-c1ccc(nc1C(=O)NS(C)(=O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |(7.93,2.6,;7.3,4.01,;8.07,5.35,;7.04,6.49,;7.36,8,;7.68,9.5,;5.63,5.86,;4.3,6.63,;4.3,8.17,;2.96,8.94,;2.96,10.48,;4.3,11.25,;5.63,10.48,;5.63,8.94,;5.79,4.33,;4.65,3.3,;5.42,1.97,;4.65,.63,;3.11,.63,;2.34,1.97,;3.11,3.3,;2.34,4.64,;.8,4.64,;3.11,5.97,;2.34,7.3,;1.57,8.64,;1,6.53,;3.67,8.07,;2.34,-.7,;.8,-.7,;.03,-2.03,;.8,-3.37,;.03,-4.7,;.8,-6.03,;2.34,-6.03,;3.11,-4.7,;4.65,-4.7,;5.42,-3.37,;5.42,-6.03,;6.96,-6.03,;7.86,-4.79,;9.33,-5.26,;10.66,-4.49,;12,-5.26,;12,-6.8,;10.66,-7.57,;9.33,-6.8,;7.86,-7.28,;2.34,-3.37,;3.11,-2.03,)|
COCCOC1(Cn2c(C)c(cc2C#N)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
Cc1c(cnn1CC1(CCCCCC1)OCC1COCCO1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1CC1(CCCCC1)OCC(=O)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1CC1(CCCCCC1)OCC(O)CO)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C)C1(Cn2c(C)c(cc2C#N)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
CN(C(=O)C1CCCCC1)c1cccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Cc1c(cnn1CC1(CCCC(C)(C)C1)OCCS(C)(=O)=O)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(C(=O)C1(C)CCCCC1)c1cccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CN(c1cccc(-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1C#N)S(=O)(=O)C1CCCCC1
OC(=O)c1nc(ccc1-c1cccc(N2CCCC2C23CC4CC(CC(C4)C2)C3)c1C#N)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |TLB:26:25:28:20.21.22,THB:24:25:20:28.22.23|
Cc1c(ccnc1N1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
COCCC(C1CCCCC1)n1ncc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CNCCOC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
Cc1c(cnn1CC1(C)CCCC(C)(C)O1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cccc2n(Cc3ccccc3)ncc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1-c1cn(Cc2ccccc2)c2cnccc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)cccc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(I)c2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(C#N)c2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(Cl)cc2c1
CCCCN(CCCC)C(=O)c1c(c(n(n1)c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)NS(=O)(=O)c5ccc6ccc(cc6c5)I)C)Cl
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCc3ccccc3)cc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OC(C)C)cc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCCN3CCOCC3)c2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(ccc(Br)c2c1)N(C)C
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCCCN3CCOCC3)c2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCCN3CCOCC3)cc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCCN3CCN(C)CC3)cc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OC(C)CN(C)C)cc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(CNS(=O)(=O)c2ccc3ccc(OCCC4CCCN4C)cc3c2)cc1C(=O)N1CCc2ccccc2C1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCCN(C)C)cc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCCN3CCCC3)cc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Br)c2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Cl)c2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(cc2c1)C(=O)N1CCN(C)CC1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(cc2c1)C(=O)N(C)C
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CC)CCc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CCCCC1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)Cc1ccc(Cl)c(Cl)c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCSc3ccccc3)CCc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2n(Cc3ccc(Cl)c(Cl)c3)ccc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)N1CCOCC1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2n(CCCN3CCOCC3)ccc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2n(CC)cc(Cl)c2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2n(CC)cc(I)c2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1cc(Br)c2n(CC)cc(Br)c2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@@H]1C(O)=O)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1COc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccc(cc2C1)C(O)=O)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2S(=O)(=O)C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCCOC)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CNC1CCN(C)CC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCN(CCO)CC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCN(C)C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCc1ccc(Cl)c(Cl)c1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC(F)(F)F)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Cc1c(Cl)c(nn1-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N(CCC(F)(F)F)CCC(F)(F)F
CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)c1ccc2OCCOc2c1
CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)c1cccc(c1)-c1cccc(Cl)c1
CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(cc1)C(=O)OC
CCCCN(CCC(=O)NCCN1CCN(C)CC1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC)C(=O)c1nn(cc1C)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(I)cc2c1
CCCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
CCCCN(CCCC)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCN(CCC)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCN(CCC)c1nn(c(c1Cl)C(F)(F)F)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
CCCN(CCC)c1nn(c(c1Cl)C(F)(F)F)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2n(Cc3ccc(Cl)c(Cl)c3)ccc2c1
CCCCN(CCC(=O)NCCN1CCN(C)CC1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1cc2CCN(CC)c2c(Br)c1
CCCN(CCC)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Br)c2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1cc(Br)c2n(CC)ccc2c1
CCCCN(Cc1ccc(cc1)-c1ccc(CC(O)=O)cc1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
Cc1c(Cl)c(nn1-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1)C(=O)NCc1ccc(cc1)-c1ccc(CC(O)=O)cc1
CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Br)c2c1)c1cccc(c1)-c1ccc(Cl)cc1
CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Cl)c2c1)c1cccc(c1)-c1ccc(Cl)cc1
CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Cl)c2c1)c1cccc(c1)-c1cccc(Cl)c1
CCCCc1c(c(nn1-c1ccc(Oc2ccccc2)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-1.21,-39.36,;-2.52,-38.55,;-2.47,-37.01,;-3.78,-36.2,;-3.74,-34.66,;-3.57,-33.12,;-4.98,-32.5,;-6.01,-33.64,;-5.25,-34.98,;-5.97,-36.33,;-7.51,-36.38,;-8.24,-37.73,;-7.43,-39.04,;-8.15,-40.4,;-7.33,-41.71,;-8.06,-43.06,;-7.25,-44.37,;-5.71,-44.32,;-4.99,-42.95,;-5.8,-41.65,;-5.88,-38.99,;-5.16,-37.63,;-5.3,-30.99,;-4.16,-29.96,;-6.77,-30.51,;-7.08,-29.01,;-8.55,-28.53,;-2.24,-32.36,;-2.24,-30.82,;-.9,-30.04,;.44,-30.82,;.43,-32.36,;-.91,-33.13,;-.92,-34.67,;-2.25,-35.43,;.41,-35.44,;.41,-36.98,;1.73,-37.75,;3.07,-36.99,;4.39,-37.77,;5.73,-37.02,;5.74,-35.48,;4.42,-34.69,;3.08,-35.45,;1.75,-34.67,;1.77,-30.06,;1.78,-28.52,;3.1,-30.83,;4.44,-30.07,;3.66,-28.74,;5.2,-28.73,;5.77,-30.85,;5.76,-32.39,;7.09,-33.17,;8.44,-32.39,;9.79,-33.15,;11.12,-32.37,;11.1,-30.81,;9.76,-30.06,;8.43,-30.84,;7.1,-30.07,)|
CCCCc1c(c(nn1-c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(15.85,1.36,;14.38,.88,;14.06,-.63,;12.6,-1.1,;12.28,-2.61,;10.87,-3.23,;11.03,-4.77,;12.54,-5.09,;13.31,-3.75,;14.84,-3.59,;15.47,-2.19,;17,-2.02,;17.91,-3.27,;19.44,-3.11,;20.34,-4.36,;19.72,-5.76,;20.62,-7.01,;22.15,-6.85,;22.78,-5.44,;24.31,-5.28,;21.87,-4.19,;17.28,-4.68,;15.75,-4.84,;9.89,-5.8,;8.43,-5.32,;10.21,-7.3,;9.07,-8.33,;9.39,-9.84,;9.54,-2.46,;8.21,-3.23,;6.87,-2.46,;6.87,-.92,;8.21,-.15,;9.54,-.92,;9.7,.61,;8.45,1.51,;11.11,1.23,;12.35,.33,;13.76,.95,;13.92,2.49,;15.33,3.11,;15.49,4.64,;14.24,5.55,;12.84,4.92,;12.68,3.39,;11.27,2.76,;5.54,-.15,;5.54,1.39,;4.2,-.92,;2.87,-.15,;2.1,-1.49,;3.64,1.18,;1.54,.62,;1.54,2.16,;.2,2.93,;-1.13,2.16,;-2.46,2.93,;-3.8,2.16,;-3.8,.62,;-2.46,-.15,;-1.13,.62,;.2,-.15,)|
CCCCc1c(c(nn1-c1ccccc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)CC[Si](C)(C)C |(14.47,-6.63,;13.32,-5.6,;11.86,-6.08,;10.71,-5.05,;9.25,-5.53,;8,-4.62,;6.76,-5.53,;7.23,-6.99,;8.77,-6.99,;9.68,-8.24,;11.21,-8.07,;12.11,-9.32,;11.49,-10.73,;9.96,-10.89,;9.05,-9.64,;5.29,-5.05,;4.97,-3.54,;4.15,-6.08,;4.47,-7.59,;3.32,-8.62,;8,-3.08,;9.34,-2.31,;9.34,-.77,;8,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;5.3,-1.3,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;2.67,-3.08,;8,1.54,;9.34,2.31,;6.67,2.31,;6.67,3.85,;8.21,3.85,;6.67,5.39,;5.13,3.85,;4.36,5.18,;2.82,5.18,;1.28,5.18,;2.82,3.64,;2.82,6.72,)|
CCCCc1c(c(CO)nn1-c1ccc(Oc2ccccc2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(23.83,-40.71,;22.52,-39.91,;22.56,-38.37,;21.25,-37.56,;21.29,-36.01,;21.46,-34.48,;20.05,-33.85,;19.73,-32.35,;18.27,-31.87,;19.02,-35,;19.79,-36.33,;19.06,-37.69,;17.52,-37.73,;16.8,-39.09,;17.61,-40.4,;16.89,-41.75,;17.7,-43.06,;16.97,-44.42,;17.78,-45.72,;19.32,-45.67,;20.05,-44.3,;19.23,-43,;19.16,-40.34,;19.88,-38.99,;22.79,-33.71,;22.79,-32.17,;24.14,-31.4,;25.47,-32.18,;25.46,-33.72,;24.12,-34.48,;24.12,-36.02,;22.78,-36.79,;25.45,-36.8,;25.44,-38.33,;26.76,-39.11,;28.1,-38.35,;29.42,-39.13,;30.76,-38.38,;30.78,-36.84,;29.45,-36.05,;28.12,-36.81,;26.78,-36.03,;26.81,-31.41,;26.81,-29.87,;28.14,-32.19,;29.47,-31.42,;28.69,-30.09,;30.23,-30.08,;30.8,-32.2,;30.79,-33.74,;32.12,-34.52,;33.47,-33.75,;34.82,-34.51,;36.15,-33.72,;36.13,-32.17,;34.79,-31.42,;33.46,-32.2,;32.14,-31.43,)|
CCCCc1c(c(CO)nn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(47.67,-42.35,;46.36,-41.54,;46.4,-40,;45.09,-39.19,;45.14,-37.65,;45.3,-36.11,;43.89,-35.49,;43.58,-33.98,;42.11,-33.5,;42.86,-36.63,;43.63,-37.96,;42.91,-39.32,;41.37,-39.37,;40.64,-40.72,;41.45,-42.03,;40.73,-43.39,;41.54,-44.69,;40.81,-46.05,;41.63,-47.36,;43.17,-47.31,;43.98,-48.61,;43.89,-45.94,;43.07,-44.64,;43,-41.98,;43.72,-40.62,;46.64,-35.34,;46.64,-33.81,;47.98,-33.03,;49.31,-33.81,;49.31,-35.35,;47.96,-36.12,;47.96,-37.66,;46.62,-38.42,;49.29,-38.43,;49.28,-39.97,;50.61,-40.74,;51.94,-39.98,;53.26,-40.76,;54.6,-40.01,;54.62,-38.47,;53.29,-37.68,;51.96,-38.44,;50.63,-37.66,;50.65,-33.05,;50.66,-31.51,;51.98,-33.82,;53.31,-33.06,;52.53,-31.73,;54.07,-31.72,;54.65,-33.83,;54.63,-35.38,;55.97,-36.15,;57.32,-35.38,;58.66,-36.14,;59.99,-35.36,;59.98,-33.8,;58.63,-33.05,;57.31,-33.83,;55.98,-33.06,)|
CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-1.41,-6.84,;-2.72,-6.03,;-2.67,-4.49,;-3.99,-3.68,;-3.94,-2.14,;-3.78,-.6,;-5.18,.02,;-5.5,1.53,;-6.97,2,;-6.22,-1.12,;-5.45,-2.46,;-6.17,-3.81,;-7.71,-3.86,;-8.44,-5.21,;-7.63,-6.52,;-8.35,-7.88,;-7.53,-9.19,;-8.27,-10.54,;-7.45,-11.85,;-5.91,-11.8,;-5.19,-10.43,;-3.65,-10.37,;-6,-9.13,;-6.08,-6.47,;-5.36,-5.11,;-2.44,.16,;-2.44,1.7,;-1.1,2.48,;.23,1.7,;.23,.16,;-1.11,-.61,;-1.12,-2.15,;-2.46,-2.91,;.21,-2.92,;.21,-4.46,;1.53,-5.23,;2.86,-4.47,;4.18,-5.25,;5.53,-4.5,;5.54,-2.96,;4.21,-2.17,;2.88,-2.93,;1.55,-2.15,;1.57,2.46,;1.58,4,;2.9,1.69,;4.23,2.45,;3.45,3.78,;4.99,3.79,;5.57,1.67,;5.56,.13,;6.89,-.65,;8.24,.13,;9.58,-.63,;10.92,.15,;10.9,1.71,;9.55,2.46,;8.23,1.68,;6.9,2.45,)|
CCCCc1c(c(CO)nn1-c1ccc(CCO)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-.54,-26.2,;-1.85,-25.39,;-1.8,-23.85,;-3.11,-23.04,;-3.07,-21.5,;-2.91,-19.96,;-4.31,-19.34,;-4.63,-17.83,;-6.1,-17.35,;-5.34,-20.48,;-4.58,-21.81,;-5.3,-23.17,;-6.84,-23.22,;-7.57,-24.57,;-6.76,-25.88,;-7.48,-27.24,;-9.02,-27.29,;-9.75,-28.65,;-5.21,-25.83,;-4.49,-24.47,;-1.57,-19.19,;-1.57,-17.66,;-.23,-16.88,;1.11,-17.66,;1.1,-19.2,;-.24,-19.97,;-.25,-21.51,;-1.59,-22.27,;1.08,-22.28,;1.08,-23.82,;2.4,-24.59,;3.74,-23.83,;5.06,-24.61,;6.4,-23.86,;6.41,-22.32,;5.08,-21.53,;3.75,-22.29,;2.42,-21.51,;2.44,-16.9,;2.45,-15.36,;3.77,-17.67,;5.1,-16.9,;4.32,-15.58,;5.86,-15.57,;6.44,-17.68,;6.43,-19.22,;7.76,-20,;9.11,-19.23,;10.45,-19.99,;11.79,-19.21,;11.77,-17.65,;10.42,-16.9,;9.1,-17.68,;7.77,-16.91,)|
CCCCc1c(c(nn1-c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Br)c2c1 |(18.31,-1.57,;16.85,-2.05,;16.53,-3.55,;15.06,-4.03,;14.74,-5.53,;13.34,-6.16,;13.5,-7.69,;15,-8.01,;15.77,-6.68,;17.31,-6.52,;17.93,-5.11,;19.46,-4.95,;20.37,-6.2,;21.9,-6.03,;22.81,-7.28,;22.18,-8.69,;23.08,-9.93,;24.62,-9.77,;25.24,-8.36,;26.77,-8.2,;24.34,-7.12,;19.74,-7.6,;18.21,-7.76,;12.35,-8.72,;12.67,-10.23,;10.89,-8.25,;9.74,-9.28,;8.28,-8.8,;12,-5.39,;10.67,-6.16,;9.34,-5.39,;9.34,-3.85,;10.67,-3.08,;12,-3.85,;13.34,-3.08,;14.84,-3.4,;13.34,-1.54,;12,-.77,;12,.77,;13.34,1.54,;13.34,3.08,;14.67,3.85,;16,3.08,;16,1.54,;14.67,.77,;14.67,-.77,;8,-3.08,;8,-1.54,;6.67,-3.85,;5.33,-3.08,;6.1,-1.75,;4.56,-4.41,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-1.33,-.77,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-2.31,;2.67,-3.08,)|
CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |(-.35,-2.86,;.94,-3.7,;2.31,-3,;2.4,-1.46,;3.78,-.76,;5.2,-.17,;5.07,1.37,;6.24,2.37,;5.96,3.88,;3.58,1.72,;2.77,.41,;1.24,.4,;.46,1.73,;-1.08,1.72,;-1.84,.38,;-3.38,.36,;-4.16,1.69,;-5.7,1.67,;-6.48,2.99,;-5.73,4.34,;-4.19,4.35,;-3.43,5.69,;-3.41,3.02,;-1.05,-.96,;.48,-.94,;6.51,-.97,;7.86,-.24,;9.19,-1.04,;9.14,-2.59,;7.79,-3.32,;6.47,-2.51,;5.12,-3.24,;3.81,-2.43,;5.07,-4.78,;3.72,-5.51,;3.68,-7.04,;4.98,-7.85,;4.93,-9.38,;6.24,-10.2,;7.59,-9.48,;7.65,-7.93,;6.34,-7.13,;6.39,-5.58,;10.45,-3.39,;11.81,-2.66,;10.41,-4.93,;11.73,-5.75,;10.95,-7.08,;12.49,-7.08,;13.07,-4.99,;13.1,-3.45,;14.44,-2.69,;15.76,-3.47,;17.11,-2.71,;18.44,-3.49,;18.43,-5.05,;17.08,-5.81,;17.06,-7.35,;15.75,-5.02,;14.4,-5.78,)|
CCCCc1c(c(CO)nn1-c1ccc(OCC(O)CO)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(18.31,-1.57,;16.85,-2.05,;16.53,-3.55,;15.06,-4.03,;14.74,-5.53,;13.34,-6.16,;13.5,-7.69,;12.35,-8.72,;12.67,-10.23,;15,-8.01,;15.77,-6.68,;17.31,-6.52,;17.93,-5.11,;19.46,-4.95,;20.37,-6.2,;21.9,-6.03,;22.81,-7.28,;24.34,-7.12,;24.96,-5.71,;25.24,-8.36,;26.77,-8.2,;19.74,-7.6,;18.21,-7.76,;12,-5.39,;10.67,-6.16,;9.34,-5.39,;9.34,-3.85,;10.67,-3.08,;12,-3.85,;13.34,-3.08,;14.84,-3.4,;13.34,-1.54,;12,-.77,;12,.77,;13.34,1.54,;13.34,3.08,;14.67,3.85,;16,3.08,;16,1.54,;14.67,.77,;14.67,-.77,;8,-3.08,;8,-1.54,;6.67,-3.85,;5.33,-3.08,;4.56,-4.41,;6.1,-1.75,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;2.67,-3.08,)|
CCCCc1c(c(CO)nn1-c1ccccc1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r,wU:34.39,(-8.12,-38.1,;-6.89,-39.03,;-5.47,-38.44,;-5.28,-36.91,;-3.85,-36.31,;-2.39,-35.82,;-2.4,-34.28,;-1.16,-33.36,;-1.34,-31.83,;-3.87,-33.82,;-4.77,-35.07,;-6.3,-34.97,;-6.98,-33.59,;-8.52,-33.49,;-9.37,-34.77,;-8.68,-36.16,;-7.15,-36.25,;-1.14,-36.72,;.21,-35.98,;1.54,-36.79,;1.49,-38.33,;.14,-39.06,;-1.18,-38.25,;-2.53,-38.98,;-3.84,-38.18,;-2.57,-40.52,;-1.26,-41.33,;-1.31,-42.87,;0,-43.68,;-.05,-45.22,;-1.41,-45.94,;-2.72,-45.13,;-2.67,-43.6,;-3.97,-42.79,;-3.93,-41.25,;-5.24,-40.45,;-6.59,-41.18,;2.8,-39.14,;4.16,-38.41,;2.76,-40.68,;4.07,-41.48,;4.86,-40.16,;5.61,-41.5,;4.03,-43.02,;2.67,-43.75,;2.62,-45.29,;3.95,-46.11,;3.93,-47.65,;5.25,-48.45,;6.61,-47.69,;6.63,-46.14,;5.3,-45.36,;5.34,-43.82,)|
CCCCN(CCCC)C(=O)c1cn(C)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC)C(=O)c1cn(CC(=O)NC)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC)C(=O)c1cn(CCCN(C)C)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC)C(=O)c1cn(CC(O)=O)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1cccc2ccccc12
CCCCN(CCCC)C(=O)c1cn(CCN2CCOCC2)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC)C(=O)c1cn(C)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2cccc(I)c2c1
CCCCN(CCCC)C(=O)c1cccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC)c1ccc(Br)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
CCCCN(CCCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(Cc1ccc(Cl)c(Cl)c1)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
CCCN(CCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |r|
CCCN(CCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |r|
Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(\C=C\c3ccccc3)cc(C(O)=O)c12
Cc1nn(Cc2ccc(Oc3cc(C)c(Cl)c(C)c3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Cc1nn(Cc2ccc(Oc3cccc4ccccc34)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCn3c12 |(-4.99,3.6,;-3.83,3.99,;-3.36,5.46,;-1.82,5.47,;-1.1,6.48,;-1.33,4.01,;-.16,3.63,;-2.57,3.12,;-2.56,1.58,;-3.8,.85,;-3.8,-.62,;-2.56,-1.35,;-1.26,-.62,;,-1.35,;0,-2.9,;1.34,-3.66,;1.34,-5.21,;2.68,-5.97,;2.68,-7.51,;4.01,-8.28,;4.01,-9.82,;5.08,-10.44,;2.68,-10.59,;2.68,-11.83,;1.35,-9.82,;.28,-10.44,;1.35,-8.28,;1.26,-.62,;2.54,-1.35,;2.54,-2.59,;3.84,-.62,;5.17,-1.39,;6.51,-.62,;7.84,-1.38,;9.17,-.61,;9.17,.93,;7.83,1.7,;6.5,.92,;7.83,3.24,;8.89,3.86,;6.76,3.85,;3.84,.85,;2.54,1.58,;1.26,.85,;-1.26,.85,)|
Cc1cc(cc(c1Cl)C)OCCCc2c3cccc(c3n4c2C(=O)N(CCC4)Cc5cccc(c5)C(=O)O)c6c(nn(c6C)C)C
Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)Nc4cccc(c4)C(=O)O)c5c(nn(c5C)C)C)Cl
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1c[nH]c(c1)C(O)=O |(-2.63,5.31,;-3.97,6.08,;-4.44,7.54,;-5.98,7.54,;-6.75,8.88,;-6.46,6.08,;-7.79,5.31,;-5.21,5.17,;-5.21,3.63,;-6.55,2.86,;-6.55,1.32,;-5.21,.55,;-3.88,1.32,;-2.42,.85,;-2.02,-.64,;-.53,-1.04,;-.13,-2.53,;1.36,-2.93,;1.76,-4.41,;3.24,-4.81,;3.64,-6.3,;5.13,-6.7,;2.55,-7.39,;2.95,-8.88,;1.07,-6.99,;-.02,-8.08,;.67,-5.5,;-1.51,2.09,;-2.42,3.34,;-3.88,2.86,;.03,2.09,;.8,.76,;.8,3.43,;2.34,3.43,;3.11,2.09,;2.63,.63,;3.88,-.28,;5.13,.63,;4.65,2.09,;6.46,-.14,;6.46,-1.68,;7.79,.63,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(C(O)=O)n(C)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.78,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.24,2.75,;6.59,4.13,;7.71,5.17,;7.53,6.7,;8.51,7.44,;6.39,7.18,;9.06,4.42,;10.18,4.94,;8.76,2.91,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCCn3c12 |(29.45,-25.81,;27.99,-25.34,;27.5,-23.88,;25.96,-23.88,;25.06,-22.64,;25.49,-25.35,;24.03,-25.83,;26.74,-26.25,;26.75,-27.8,;25.42,-28.57,;24.09,-27.8,;25.42,-30.11,;26.75,-30.88,;28.09,-30.11,;29.56,-30.59,;30.04,-32.05,;31.54,-32.37,;32.02,-33.84,;33.53,-34.16,;34,-35.62,;35.5,-35.94,;35.98,-37.39,;37.49,-37.71,;34.95,-38.55,;35.43,-40.01,;33.44,-38.23,;32.41,-39.37,;32.97,-36.76,;30.47,-29.33,;32.03,-29.4,;32.64,-30.81,;33.05,-28.22,;34.54,-28.62,;35.63,-27.53,;35.23,-26.05,;36.31,-24.96,;37.81,-25.36,;38.2,-26.85,;37.11,-27.94,;39.69,-27.25,;40.78,-26.17,;40.09,-28.74,;32.76,-26.69,;31.39,-25.95,;29.97,-26.58,;29.56,-28.08,;28.09,-28.56,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc(c1)C(O)=O |(-2.97,6.8,;-1.74,6.82,;-.84,8.07,;.63,7.6,;1.62,8.33,;.63,6.06,;1.63,5.34,;-.82,5.6,;-1.28,4.13,;-2.78,3.79,;-3.62,4.7,;-3.29,2.24,;-2.24,1.12,;-.72,1.5,;.52,.64,;.55,-.9,;1.9,-1.64,;1.93,-3.18,;3.28,-3.93,;3.31,-5.47,;4.65,-6.22,;4.68,-7.76,;5.76,-8.35,;3.36,-8.55,;3.38,-9.78,;2.01,-7.8,;.96,-8.44,;1.99,-6.26,;1.74,1.56,;3.17,1,;3.26,-.23,;4.51,1.78,;4.73,3.25,;3.69,4.39,;2.14,4.29,;1.28,2.98,;-.24,2.98,;5.78,.92,;7.14,1.66,;8.45,.86,;8.42,-.68,;7.07,-1.42,;5.76,-.62,;7.04,-2.96,;8.09,-3.6,;5.96,-3.55,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cncc(c1)C(O)=O |(51.14,-43.83,;49.68,-43.36,;49.2,-41.9,;47.66,-41.9,;46.75,-40.66,;47.19,-43.37,;45.72,-43.85,;48.43,-44.27,;48.44,-45.82,;47.11,-46.59,;45.78,-45.82,;47.11,-48.13,;48.45,-48.9,;49.78,-48.13,;51.25,-48.61,;51.73,-50.08,;53.24,-50.4,;53.71,-51.86,;55.22,-52.18,;55.7,-53.64,;57.2,-53.96,;57.68,-55.42,;59.18,-55.73,;56.65,-56.57,;57.12,-58.03,;55.14,-56.25,;54.11,-57.39,;54.66,-54.79,;52.17,-47.36,;51.25,-46.1,;49.78,-46.58,;53.71,-47.36,;54.48,-48.69,;54.48,-46.02,;56.02,-46.02,;56.78,-44.69,;58.31,-44.69,;59.09,-46.02,;58.32,-47.36,;56.78,-47.36,;59.09,-48.69,;60.63,-48.69,;58.32,-50.03,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc(ccn1)C(O)=O |(8.08,-4.59,;6.61,-4.12,;6.13,-2.65,;4.59,-2.66,;3.68,-1.41,;4.12,-4.12,;2.66,-4.6,;5.37,-5.02,;5.38,-6.57,;4.05,-7.34,;2.72,-6.57,;4.05,-8.89,;5.38,-9.66,;6.71,-8.89,;8.19,-9.37,;8.67,-10.83,;10.17,-11.15,;10.65,-12.61,;12.15,-12.93,;12.63,-14.4,;14.13,-14.71,;14.61,-16.17,;16.12,-16.48,;13.58,-17.32,;14.06,-18.79,;12.07,-17,;11.04,-18.15,;11.6,-15.54,;9.1,-8.11,;8.19,-6.86,;6.71,-7.34,;10.64,-8.11,;11.41,-9.44,;11.41,-6.78,;12.95,-6.77,;13.72,-8.11,;15.25,-8.11,;16.03,-6.78,;15.25,-5.44,;13.71,-5.45,;16.02,-9.45,;17.56,-9.45,;15.25,-10.78,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)Nc3cccc(c3)C(O)=O)n(C)c12 |(-2.17,5.31,;-3.51,6.08,;-3.98,7.54,;-5.52,7.54,;-6.29,8.88,;-6,6.08,;-7.33,5.31,;-4.75,5.17,;-4.75,3.63,;-6.09,2.86,;-7.42,3.63,;-6.09,1.32,;-4.75,.55,;-3.42,1.32,;-1.95,.85,;-1.56,-.64,;-.07,-1.04,;.33,-2.53,;1.82,-2.93,;2.22,-4.41,;3.7,-4.81,;4.1,-6.3,;5.59,-6.7,;3.01,-7.39,;3.41,-8.88,;1.53,-6.99,;.44,-8.08,;1.13,-5.5,;-1.05,2.09,;.49,2.09,;1.26,.76,;1.26,3.43,;2.8,3.43,;3.57,2.09,;5.11,2.09,;5.88,3.43,;5.14,4.81,;3.57,4.76,;5.91,6.14,;5.14,7.48,;7.45,6.14,;-1.95,3.34,;-1.18,4.67,;-3.42,2.86,)|
CN(C(=O)c1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)c(-c3c(C)nn(C)c3C)c2n1C)c1cccc(c1)C(O)=O |(.49,4.76,;1.26,3.43,;.49,2.09,;1.26,.76,;-1.05,2.09,;-1.95,.85,;-1.56,-.64,;-.07,-1.04,;.33,-2.53,;1.82,-2.93,;2.22,-4.41,;3.7,-4.81,;4.1,-6.3,;5.59,-6.7,;3.01,-7.39,;3.41,-8.88,;1.53,-6.99,;.44,-8.08,;1.13,-5.5,;-3.42,1.32,;-4.75,.55,;-6.09,1.32,;-6.09,2.86,;-7.42,3.63,;-4.75,3.63,;-4.75,5.17,;-3.51,6.08,;-2.17,5.31,;-3.98,7.54,;-5.52,7.54,;-6.29,8.88,;-6,6.08,;-7.33,5.31,;-3.42,2.86,;-1.95,3.34,;-1.18,4.67,;2.8,3.43,;3.57,2.09,;5.11,2.09,;5.88,3.43,;5.14,4.81,;3.57,4.76,;5.91,6.14,;5.14,7.48,;7.45,6.14,)|
Cc1nn(CCN2CCOCC2)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1ccc(cc1)C(O)=O |(-.81,3.31,;-2.15,4.08,;-2.62,5.54,;-4.16,5.54,;-4.93,6.88,;-6.47,6.88,;-7.24,8.21,;-6.47,9.54,;-7.24,10.88,;-8.78,10.88,;-9.55,9.54,;-8.78,8.21,;-4.64,4.08,;-5.97,3.31,;-3.39,3.17,;-3.39,1.63,;-4.73,.86,;-6.06,1.63,;-4.73,-.68,;-3.39,-1.45,;-2.06,-.68,;-.59,-1.15,;-.19,-2.64,;1.29,-3.04,;1.69,-4.53,;3.18,-4.93,;3.58,-6.41,;5.06,-6.81,;5.46,-8.3,;6.95,-8.7,;4.37,-9.39,;4.77,-10.88,;2.89,-8.99,;1.8,-10.08,;2.49,-7.5,;.31,.09,;-.59,1.34,;-2.06,.86,;1.85,.09,;2.62,-1.24,;2.62,1.43,;4.16,1.43,;4.93,.09,;6.47,.09,;7.3,1.43,;6.47,2.76,;4.93,2.76,;8.84,1.43,;9.61,.09,;9.61,2.76,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(ccn1)C(O)=O |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.24,2.75,;6.45,4.07,;7.2,5.42,;8.74,5.44,;9.53,4.12,;8.78,2.77,;6.41,6.74,;7.01,7.81,;5.18,6.72,)|
Cc1cc(OCCCc2cn(CCC(=O)NS(C)(=O)=O)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)cc2n1CCC(O)=O
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12 |(-1.99,-2.33,;-3.33,-3.1,;-3.8,-4.57,;-5.34,-4.57,;-6.11,-5.9,;-5.82,-3.1,;-7.15,-2.33,;-4.57,-2.2,;-4.57,-.66,;-5.91,.11,;-5.91,1.65,;-4.57,2.42,;-3.24,1.65,;-1.77,2.13,;-1.37,3.62,;.11,4.01,;.51,5.5,;2,5.9,;3.09,4.81,;2.69,3.32,;3.78,2.24,;3.38,.75,;5.27,2.63,;6.35,1.55,;5.66,4.12,;7.15,4.52,;4.58,5.21,;-.87,.88,;.67,.88,;-1.77,-.36,;-1.37,-1.85,;.11,-2.25,;.51,-3.74,;2,-4.14,;-.58,-4.83,;-3.24,.11,)|
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(o3)C(O)=O)c12 |(-1.99,-3,;-3.33,-3.77,;-3.8,-5.23,;-5.34,-5.23,;-5.82,-3.77,;-7.15,-3,;-4.57,-2.86,;-4.57,-1.32,;-5.91,-.55,;-5.91,.99,;-4.57,1.76,;-3.24,.99,;-1.77,1.46,;-1.37,2.95,;.11,3.35,;.51,4.84,;2,5.23,;3.09,4.14,;2.69,2.66,;3.78,1.57,;3.38,.08,;5.27,1.97,;6.35,.88,;5.66,3.45,;7.15,3.85,;4.58,4.54,;-.87,.22,;.67,.22,;-1.77,-1.03,;-1.37,-2.52,;.11,-2.92,;.59,-4.38,;2.13,-4.38,;2.64,-2.9,;1.36,-2.01,;4.11,-2.43,;5.25,-3.46,;4.43,-.92,;-3.24,-.55,)|
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(O)=O)c12 |(-1.99,-1.93,;-3.33,-2.7,;-3.8,-4.16,;-5.34,-4.16,;-5.82,-2.7,;-7.15,-1.93,;-4.57,-1.79,;-4.57,-.25,;-5.91,.52,;-5.91,2.06,;-4.57,2.83,;-3.24,2.06,;-1.77,2.53,;-1.37,4.02,;.11,4.42,;.51,5.91,;2,6.31,;3.09,5.22,;2.69,3.73,;3.78,2.64,;3.38,1.15,;5.27,3.04,;6.35,1.95,;5.66,4.53,;7.15,4.93,;4.58,5.62,;-.87,1.29,;.67,1.29,;-1.77,.04,;-1.37,-1.45,;.11,-1.84,;1.2,-.75,;2.69,-1.15,;3.09,-2.64,;2.01,-3.78,;.51,-3.33,;2.41,-5.27,;1.32,-6.36,;3.9,-5.67,;-3.24,.52,)|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(Cl)(C1)C2 |c:57|
CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:8|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(F)(C1)C2 |c:57|
CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CC5(C4)CCOCC5)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:8|
CN1CCC(F)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C)(C3)C4)CC2)CC1 |t:48|
CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:8|
CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:8|
CN1CCOC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C)(C3)C4)CC2)C1 |t:48|
CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |r,wU:31.33,34.37,wD:34.38,c:8,(-4.3,-13.49,;-2.96,-12.73,;-2.56,-11.24,;-1.08,-11.64,;-1.32,-13.28,;-1.72,-12.77,;.26,-10.87,;.26,-9.33,;-1.08,-8.56,;-1.08,-7.02,;-2.41,-6.25,;-2.41,-4.71,;-1.08,-3.94,;.26,-4.71,;.26,-6.25,;-1.08,-2.4,;.26,-1.63,;.26,-.09,;-1.08,.68,;-1.08,2.22,;-2.41,2.99,;.26,2.99,;1.59,2.22,;.82,.89,;2.92,1.45,;2.36,3.56,;3.9,3.56,;4.67,4.89,;3.9,6.22,;4.67,7.56,;6.21,7.56,;7.04,8.99,;6.21,10.42,;7.04,11.84,;8.69,11.84,;10.11,12.67,;8.69,13.49,;9.51,10.42,;8.69,8.99,;2.33,6.27,;1.59,4.89,;1.56,7.61,;2.33,8.94,;.02,7.61,;-2.41,-.09,;-3.74,.68,;-5.08,-.09,;-5.08,-1.63,;-6.41,-2.4,;-7.74,-1.63,;-9.21,-2.1,;-10.11,-.86,;-9.21,.39,;-7.74,-.09,;-6.41,.68,;-2.41,-1.63,;1.59,-8.56,;2.92,-9.33,;2.92,-10.87,;4.41,-10.47,;3.32,-12.35,;1.59,-11.64,)|
CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:9|
CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:9|
CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:9|
CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |r,wU:32.34,35.38,wD:35.39,c:9,(-5.73,-12.67,;-4.3,-13.49,;-2.96,-12.73,;-2.56,-11.24,;-1.08,-11.64,;-1.32,-13.28,;-1.72,-12.77,;.26,-10.87,;.26,-9.33,;-1.08,-8.56,;-1.08,-7.02,;-2.41,-6.25,;-2.41,-4.71,;-1.08,-3.94,;.26,-4.71,;.26,-6.25,;-1.08,-2.4,;.26,-1.63,;.26,-.09,;-1.08,.68,;-1.08,2.22,;-2.41,2.99,;.26,2.99,;1.59,2.22,;.82,.89,;2.92,1.45,;2.36,3.56,;3.9,3.56,;4.67,4.89,;3.9,6.22,;4.67,7.56,;6.21,7.56,;7.04,8.99,;6.21,10.42,;7.04,11.84,;8.69,11.84,;10.11,12.67,;8.69,13.49,;9.51,10.42,;8.69,8.99,;2.33,6.27,;1.59,4.89,;1.56,7.61,;2.33,8.94,;.02,7.61,;-2.41,-.09,;-3.74,.68,;-5.08,-.09,;-5.08,-1.63,;-6.41,-2.4,;-7.74,-1.63,;-9.21,-2.1,;-10.11,-.86,;-9.21,.39,;-7.74,-.09,;-6.41,.68,;-2.41,-1.63,;1.59,-8.56,;2.92,-9.33,;2.92,-10.87,;4.41,-10.47,;3.32,-12.35,;1.59,-11.64,)|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |r,wU:29.29,32.33,wD:32.34,c:59,(3.82,-12.02,;3.05,-10.69,;4.59,-10.69,;3.05,-9.15,;1.72,-8.38,;.39,-9.15,;-.95,-8.38,;-.95,-6.84,;-2.28,-6.07,;-2.28,-4.53,;-.95,-3.76,;.39,-4.53,;.39,-6.07,;-.95,-2.22,;.39,-1.45,;.39,.09,;-.95,.86,;-.95,2.4,;-2.28,3.17,;.39,3.17,;1.72,2.4,;.84,.88,;3.25,1.52,;2.49,3.74,;4.03,3.74,;4.8,5.07,;4.03,6.4,;4.8,7.74,;6.34,7.74,;7.11,9.07,;6.34,10.41,;7.11,11.74,;8.65,11.74,;9.98,12.51,;8.65,13.28,;9.42,10.41,;8.65,9.07,;2.46,6.45,;1.72,5.07,;1.69,7.79,;2.46,9.12,;.15,7.79,;-2.28,.09,;-3.61,.86,;-4.95,.09,;-4.95,-1.45,;-6.28,-2.22,;-7.61,-1.45,;-9.08,-1.92,;-9.98,-.68,;-9.08,.57,;-7.61,.09,;-6.28,.86,;-2.28,-1.45,;.39,-10.69,;1.72,-11.46,;-.95,-11.46,;-2.43,-11.06,;-2.84,-12.52,;-1.19,-13.1,;-1.48,-12.51,;-4.19,-13.28,;-5.51,-12.49,;-4.2,-14.82,;-5.53,-14.03,)|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |r,wU:29.29,32.33,wD:32.34,c:59,(3.82,-12.02,;3.05,-10.69,;4.59,-10.69,;3.05,-9.15,;1.72,-8.38,;.39,-9.15,;-.95,-8.38,;-.95,-6.84,;-2.28,-6.07,;-2.28,-4.53,;-.95,-3.76,;.39,-4.53,;.39,-6.07,;-.95,-2.22,;.39,-1.45,;.39,.09,;-.95,.86,;-.95,2.4,;-2.28,3.17,;.39,3.17,;1.72,2.4,;.84,.88,;3.25,1.52,;2.49,3.74,;4.03,3.74,;4.8,5.07,;4.03,6.4,;4.8,7.74,;6.34,7.74,;7.11,9.07,;6.34,10.4,;7.11,11.74,;8.65,11.74,;9.98,12.51,;8.65,13.28,;9.42,10.4,;8.65,9.07,;2.46,6.45,;1.72,5.07,;1.69,7.79,;2.46,9.12,;.15,7.79,;-2.28,.09,;-3.61,.86,;-4.95,.09,;-4.95,-1.45,;-6.28,-2.22,;-7.61,-1.45,;-9.08,-1.92,;-9.98,-.68,;-9.08,.57,;-7.61,.09,;-6.28,.86,;-2.28,-1.45,;.39,-10.69,;1.72,-11.46,;-.95,-11.46,;-2.43,-11.06,;-2.99,-12.57,;-1.19,-13.1,;-1.52,-12.46,;-4.35,-13.31,;-5.66,-12.5,;-4.39,-14.84,)|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |c:58|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |c:58|
CN1CCC(F)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C3)(C4)C(F)F)CC2)CC1 |t:48|
CC(C)C12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:10|
CC(F)(F)C12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:11|
CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)CC(C)(C)CC1 |r,c:8|
CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)CC(C)(C)CC1 |r,c:8|
CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C
CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)N[C@H](CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)C12CC(Cl)(C1)C2 |r,t:5|
CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CC(C)(C)CC2)C23CC(C)(C2)C3)CC1 |r,t:50|
CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN(C)CCO)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)CCC(C)(C)C1 |r,c:9|
CC1(C)CCC(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)=C(C1)C12CC(C1)(C2)C(F)F |c:60|
CC1(C)CCC(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)[N+]([O-])=O)=C(C1)C12CC(C1)(C2)C(F)F |c:56|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CC(C)(C)CC2)C23CC(C)(C2)C3)CC1 |r,t:48|
CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CC(C)(C)CC2)C23CC(C2)(C3)C(F)F)CC1 |t:50|
CC1(C)CCC(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)=C(C1)C12CC(C1)(C2)C(F)F |c:61|
CN(C)C1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C3)(C4)C(F)F)CC2)CC1 |t:52|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CC(C)(C)CC2)C23CC(C2)(C3)C(F)F)CC1 |t:48|
CC1(C)CCC(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCNCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)=C(C1)C12CC(C1)(C2)C(F)F |c:60|
OC1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(CC3=C(CC4(CCC4)CC3)C34CC(C3)(C4)C(F)F)CC2)CC1 |t:50|
CC1(C)CCC(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCN(CCO)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)=C(C1)C12CC(C1)(C2)C(F)F |c:63|
CCN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CC(C)(C)CC2)C23CC(C2)(C3)C(F)F)CC1 |t:51|
CC(C)(C)OC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1c1ccccc1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1c1ccc(Cl)cc1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1c1ccccc1Cl
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@@H]1c1ccccc1Cl |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@H]1c1ccccc1Cl |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1c1ccccc1C1CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@H]1c1ccccc1C1CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@@H]1c1ccccc1C1CC1 |r|
Cc1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
CC(C)c1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCCCC1c1ccccc1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCCC1c1ccccc1
COc1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1C(CC1=O)c1ccccc1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)C1CCCN1c1ccccc1
CCc1cccc(CC2CCCN2c2ccc(cc2)-c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)c1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1Cc1cccc(c1)C1CCCC1
CC1(CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1)c1ccccc1
Cc1ccccc1N1CCCC1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1c1c(F)cccc1Cl
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1c1ccccc1C1CCC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1(c1ccccc1)C(F)(F)F
CC(C)c1ccccc1C1CCCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)C1CCCN1c1ccccc1[N+]([O-])=O
CN(C)c1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
CS(=O)(=O)Nc1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
CN1CCC(=CC1)c1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:4|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1F)N1CCCC1c1ccccc1C1CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CC(F)CC1c1ccccc1C1CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CC(Cl)CC1c1ccccc1C1CC1
COC1CC(N(C1)c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1)c1ccccc1C1CC1
CC1CCN(C1c1ccccc1C1CC1)c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
CC1(C)CCN(C1c1ccccc1C1CC1)c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1c1cnccc1C1CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(CN2CCCC2c2ccccc2)cc1
CC1(C)CCC(Cc2ccc(cc2)-c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CC(CN2CCCC2c2ccccc2C2CC2)C1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC(CN2CCCC2c2ccccc2C2CC2)CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC(CN2CCC[C@H]2c2ccccc2C2CC2)CC1 |r|
COC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1 |t:23|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1Br |t:44|
COC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |t:23|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1cccc(c1)C1CC1 |t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1Cl |t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C(F)(F)F |t:44|
CCCc1ccccc1C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:19|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1Cc1ccccc1 |t:44|
CC(C)c1ccccc1C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:19|
CC(=C)c1ccccc1C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:19|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1[C@@H]1C[C@@H]1C#N |r,t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1[C@H]1C[C@@H]1C#N |r,t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1[C@H]1CC1(F)F |r,t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CCC1 |t:44|
CN(C)c1ccccc1C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:19|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1OC(F)F |t:44|
CCCOc1ccccc1C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:20|
COCCOc1ccccc1C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:21|
CC(C)Oc1ccccc1C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:20|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1OC1CC1 |t:44|
Cc1cccc(C)c1C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:18|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1cccc(Cl)c1C1CC1 |t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1cccc(F)c1C1CC1 |t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1cc(F)ccc1C1CC1 |t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1c(F)cccc1C1CC1 |t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1sccc1C1CC1 |t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1C1CCCCC1 |t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CCNCC1 |t:44|
COc1ccc(C2CC2)c(c1)C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:22|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CC=CC1c1ccccc1C1CC1 |c:53,t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1Cc2ccccc2C1c1ccccc1C1CC1 |t:44|
OC1CC(N(C1)C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1)c1ccccc1 |c:10|
CO[C@@H]1CC(N(C1)C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1)c1ccccc1C1CC1 |r,c:11|
CO[C@H]1CC(N(C1)C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1)c1ccccc1C1CC1 |r,c:11|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CC(F)CC1c1ccccc1C1CC1 |t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CC(F)(F)CC1c1ccccc1C1CC1 |t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCC1c1ccccc1 |t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1Cc1ccccc1C1CC1 |t:44|
Cc1ccccc1C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:17|
CCc1ccccc1C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:18|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C=C |t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1C1CCCC1 |t:44|
CCCCc1ccccc1C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:20|
Cc1cccc(c1)C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:17|
CC(C)c1cccc(c1)C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:19|
COc1cccc(c1)C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:18|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1cccc(C=C)c1 |t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1cccc2OCOc12 |t:44|
CC1CCN(C1c1ccccc1C1CC1)C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:21|
CC1(C)CCN(C1c1ccccc1C1CC1)C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:22|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCC(C#N)C1c1ccccc1C1CC1 |t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCC(C#C)C1c1ccccc1C1CC1 |t:44|
COc1ccccc1C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:18|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1cc(ccc1F)C1CC1 |t:44|
Cc1ccc(C2CC2)c(c1)C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:21|
CN(C)CCN(C)c1ccc(C2CC2)c(c1)C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:27|
CN(C)CCNc1ccc(C2CC2)c(c1)C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:26|
CN(C1CC1)c1ccccc1C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:22|
CN1CCC(=CC1)c1ccccc1C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:4,24|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1cc(cs1)C1CC1 |t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CC(Cl)CC1c1ccccc1C1CC1 |t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CC(=C)CC1c1ccccc1C1CC1 |t:44|
COC(C1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1)c1ccccc1C1CC1 |c:12|
CC(C)c1ccccc1CC1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:20|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccc(cc1)C1CC1 |t:44|
CCCCC1C2CCCC2CN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:17|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1CCC(CC1)N1CCCC1c1ccccc1Cl |(8.56,2.37,;7.02,2.39,;6.27,3.73,;6.24,1.07,;4.62,1,;3.85,-.33,;4.62,-1.66,;6.16,-1.66,;6.93,-.33,;8.47,-.33,;9.24,-1.66,;10.78,-1.66,;11.55,-3,;13.09,-3,;13.86,-1.66,;13.09,-.33,;11.55,-.33,;2.31,-.33,;2.31,1.21,;2.31,-1.87,;.77,-.33,;0,-1.66,;.77,-3,;-1.54,-1.66,;-2.31,-3,;-3.85,-3,;-4.62,-1.66,;-3.85,-.33,;-2.31,-.33,;-1.54,1,;-2.31,2.34,;-3.85,2.34,;-4.62,3.67,;-3.85,5,;-4.32,6.47,;-3.08,7.37,;-1.83,6.47,;-2.31,5,;-1.54,3.67,;-6.16,-1.66,;-6.93,-3,;-8.47,-3,;-9.24,-1.66,;-8.47,-.33,;-6.93,-.33,;-10.78,-1.66,;-11.68,-.42,;-13.15,-.89,;-13.15,-2.43,;-11.68,-2.91,;-11.29,-4.4,;-9.8,-4.8,;-9.4,-6.28,;-10.49,-7.37,;-11.98,-6.97,;-12.37,-5.49,;-13.86,-5.09,)|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1CCC(CC1)N1CCC[C@H]1c1ccccc1C1CC1 |r,wD:49.56,(9.3,-6.85,;7.76,-6.84,;7.01,-5.5,;6.98,-8.16,;5.37,-8.22,;4.6,-9.56,;5.37,-10.89,;6.91,-10.89,;7.68,-9.56,;9.22,-9.56,;9.99,-10.89,;11.53,-10.89,;12.3,-12.23,;13.84,-12.23,;14.61,-10.89,;13.84,-9.56,;12.3,-9.56,;3.06,-9.56,;3.06,-8.02,;3.06,-11.1,;1.52,-9.56,;.75,-10.89,;1.52,-12.23,;-.79,-10.89,;-1.56,-12.23,;-3.1,-12.23,;-3.87,-10.89,;-3.1,-9.56,;-1.56,-9.56,;-.79,-8.22,;-1.56,-6.89,;-3.1,-6.89,;-3.87,-5.56,;-3.1,-4.22,;-3.58,-2.76,;-2.33,-1.85,;-1.09,-2.76,;-1.56,-4.22,;-.79,-5.56,;-5.41,-10.89,;-6.18,-12.23,;-7.72,-12.23,;-8.49,-10.89,;-7.72,-9.56,;-6.18,-9.56,;-10.03,-10.89,;-10.94,-9.65,;-12.4,-10.12,;-12.4,-11.66,;-10.94,-12.14,;-10.54,-13.63,;-9.05,-14.02,;-8.66,-15.51,;-9.74,-16.6,;-11.23,-16.2,;-11.63,-14.71,;-13.12,-14.32,;-14.21,-13.23,;-14.61,-14.71,)|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1CCC(CC1)N1CCC[C@H]1c1cccc(c1)C1CC1 |r,wD:49.56,(8.91,-6.34,;7.37,-6.32,;6.61,-4.98,;6.58,-7.65,;4.97,-7.71,;4.2,-9.04,;4.97,-10.38,;6.51,-10.38,;7.28,-9.04,;8.82,-9.04,;9.59,-10.38,;11.13,-10.38,;11.9,-11.71,;13.44,-11.71,;14.21,-10.38,;13.44,-9.04,;11.9,-9.04,;2.66,-9.04,;2.66,-7.5,;2.66,-10.58,;1.12,-9.04,;.35,-10.38,;1.12,-11.71,;-1.19,-10.38,;-1.96,-11.71,;-3.5,-11.71,;-4.27,-10.38,;-3.5,-9.04,;-1.96,-9.04,;-1.19,-7.71,;-1.96,-6.37,;-3.5,-6.37,;-4.27,-5.04,;-3.5,-3.71,;-3.98,-2.24,;-2.73,-1.34,;-1.49,-2.24,;-1.96,-3.71,;-1.19,-5.04,;-5.81,-10.38,;-6.58,-11.71,;-8.12,-11.71,;-8.89,-10.38,;-8.12,-9.04,;-6.58,-9.04,;-10.43,-10.38,;-11.34,-9.13,;-12.8,-9.61,;-12.8,-11.15,;-11.34,-11.62,;-10.94,-13.11,;-9.45,-13.51,;-9.05,-14.99,;-10.14,-16.08,;-11.63,-15.69,;-12.03,-14.2,;-12.72,-16.77,;-14.21,-17.17,;-13.12,-18.26,)|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1CCC(CC1)N1CCC[C@H]1c1ccc(cc1)C1CC1 |r,wD:49.56,(8.2,-6.36,;6.66,-6.34,;5.91,-5,;5.88,-7.67,;4.26,-7.73,;3.49,-9.06,;4.26,-10.4,;5.8,-10.4,;6.57,-9.06,;8.12,-9.06,;8.88,-10.4,;10.42,-10.4,;11.19,-11.73,;12.73,-11.73,;13.5,-10.4,;12.73,-9.06,;11.19,-9.06,;1.96,-9.06,;1.96,-10.6,;1.96,-7.52,;.41,-9.06,;-.36,-10.4,;.41,-11.73,;-1.9,-10.4,;-2.67,-11.73,;-4.21,-11.73,;-4.98,-10.4,;-4.21,-9.06,;-2.67,-9.06,;-1.9,-7.73,;-2.67,-6.39,;-4.21,-6.39,;-4.98,-5.06,;-4.21,-3.73,;-4.68,-2.26,;-3.44,-1.36,;-2.19,-2.26,;-2.67,-3.73,;-1.9,-5.06,;-6.52,-10.4,;-7.29,-11.73,;-8.83,-11.73,;-9.6,-10.4,;-8.83,-9.06,;-7.29,-9.06,;-11.14,-10.4,;-12.04,-9.15,;-13.5,-9.63,;-13.5,-11.17,;-12.04,-11.64,;-11.56,-13.11,;-12.59,-14.25,;-12.12,-15.71,;-10.61,-16.03,;-9.58,-14.89,;-10.06,-13.43,;-10.14,-17.5,;-10.46,-19.01,;-8.99,-18.53,)|
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[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1CCC(CC1)N1CCC[C@H]1c1ccc(Cl)cc1 |r,wD:49.56,(8.2,-6.78,;6.66,-6.76,;5.91,-5.42,;5.88,-8.09,;4.26,-8.15,;3.49,-9.48,;4.26,-10.82,;5.8,-10.82,;6.58,-9.48,;8.11,-9.48,;8.89,-10.82,;10.43,-10.82,;11.19,-12.15,;12.74,-12.15,;13.51,-10.82,;12.74,-9.48,;11.19,-9.48,;1.95,-9.48,;1.95,-11.02,;1.95,-7.94,;.41,-9.48,;-.36,-10.82,;.41,-12.15,;-1.9,-10.82,;-2.67,-12.15,;-4.21,-12.15,;-4.98,-10.82,;-4.21,-9.48,;-2.67,-9.48,;-1.9,-8.15,;-2.67,-6.82,;-4.21,-6.82,;-4.98,-5.48,;-4.21,-4.15,;-4.68,-2.68,;-3.44,-1.78,;-2.19,-2.68,;-2.67,-4.15,;-1.9,-5.48,;-6.52,-10.82,;-7.29,-12.15,;-8.83,-12.15,;-9.6,-10.82,;-8.83,-9.48,;-7.29,-9.48,;-11.14,-10.82,;-12.04,-9.57,;-13.51,-10.05,;-13.51,-11.59,;-12.04,-12.06,;-11.56,-13.53,;-12.6,-14.67,;-12.12,-16.14,;-10.61,-16.46,;-10.14,-17.92,;-9.58,-15.31,;-10.06,-13.85,)|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1CCC(CC1)N1CCC[C@H]1c1ccccc1 |r,wD:49.56,(8.2,-7.51,;6.66,-7.5,;5.91,-6.15,;5.88,-8.82,;4.26,-8.88,;3.49,-10.22,;4.26,-11.55,;5.8,-11.55,;6.58,-10.22,;8.11,-10.22,;8.89,-11.55,;10.43,-11.55,;11.19,-12.88,;12.74,-12.88,;13.51,-11.55,;12.74,-10.22,;11.19,-10.22,;1.95,-10.22,;1.95,-11.76,;1.95,-8.68,;.41,-10.22,;-.36,-11.55,;.41,-12.88,;-1.9,-11.55,;-2.67,-12.88,;-4.21,-12.88,;-4.98,-11.55,;-4.21,-10.22,;-2.67,-10.22,;-1.9,-8.88,;-2.67,-7.55,;-4.21,-7.55,;-4.98,-6.22,;-4.21,-4.88,;-4.68,-3.42,;-3.44,-2.51,;-2.19,-3.42,;-2.67,-4.88,;-1.9,-6.22,;-6.52,-11.55,;-7.29,-12.88,;-8.83,-12.88,;-9.6,-11.55,;-8.83,-10.22,;-7.29,-10.22,;-11.14,-11.55,;-12.04,-10.3,;-13.51,-10.78,;-13.51,-12.32,;-12.04,-12.8,;-11.56,-14.26,;-12.6,-15.41,;-12.12,-16.87,;-10.61,-17.19,;-9.58,-16.05,;-10.06,-14.58,)|
Cc1ccccc1C1CCCN1C1CCC(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |(-13.8,-5.23,;-12.3,-5.55,;-11.82,-7.02,;-10.31,-7.34,;-9.28,-6.19,;-9.76,-4.73,;-11.27,-4.41,;-11.74,-2.95,;-13.21,-2.47,;-13.21,-.93,;-11.74,-.45,;-10.84,-1.7,;-9.3,-1.7,;-8.53,-3.03,;-6.99,-3.03,;-6.22,-1.7,;-6.99,-.37,;-8.53,-.37,;-4.68,-1.7,;-3.91,-3.03,;-2.37,-3.03,;-1.6,-1.7,;-.06,-1.7,;.71,-3.03,;.71,-.37,;2.25,-.37,;2.25,-1.91,;2.25,1.17,;3.79,-.37,;4.56,-1.7,;6.1,-1.7,;6.87,-.37,;8.41,-.37,;9.18,-1.7,;10.72,-1.7,;11.49,-3.03,;13.03,-3.03,;13.8,-1.7,;13.03,-.37,;11.49,-.37,;6.18,1.03,;4.56,.97,;6.96,2.36,;8.5,2.34,;6.21,3.7,;-2.37,-.37,;-1.6,.97,;-2.37,2.3,;-3.91,2.3,;-4.68,3.64,;-3.91,4.97,;-4.38,6.43,;-3.14,7.34,;-1.89,6.43,;-2.37,4.97,;-1.6,3.64,;-3.91,-.37,)|
CCc1ccccc1[C@@H]1CCCN1C1CCC(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wD:8.8,(-14.32,-14.81,;-13.29,-13.67,;-11.78,-13.99,;-11.31,-15.45,;-9.8,-15.77,;-8.77,-14.63,;-9.24,-13.16,;-10.75,-12.84,;-11.23,-11.38,;-12.69,-10.9,;-12.69,-9.36,;-11.23,-8.88,;-10.32,-10.13,;-8.78,-10.13,;-8.01,-11.46,;-6.47,-11.46,;-5.7,-10.13,;-6.47,-8.8,;-8.01,-8.8,;-4.16,-10.13,;-3.39,-11.46,;-1.85,-11.46,;-1.08,-10.13,;.46,-10.13,;1.23,-11.46,;1.23,-8.8,;2.77,-8.8,;2.77,-10.34,;2.77,-7.26,;4.31,-8.8,;5.08,-10.13,;6.62,-10.13,;7.39,-8.8,;8.93,-8.8,;9.7,-10.13,;11.24,-10.13,;12.01,-11.46,;13.55,-11.46,;14.32,-10.13,;13.55,-8.8,;12.01,-8.8,;6.69,-7.4,;5.08,-7.46,;7.48,-6.08,;9.02,-6.09,;6.72,-4.73,;-1.85,-8.8,;-1.08,-7.46,;-1.85,-6.13,;-3.39,-6.13,;-4.16,-4.8,;-3.39,-3.46,;-3.87,-2,;-2.62,-1.09,;-1.38,-2,;-1.85,-3.46,;-1.08,-4.8,;-3.39,-8.8,)|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1CCC(CC1)N1CCCC1\C=C\c1ccccc1 |(5.8,4.95,;6.57,3.61,;8.28,3.61,;5.8,2.28,;4.27,2.28,;3.49,.95,;4.27,-.39,;5.8,-.39,;6.57,.95,;8.11,.95,;8.88,-.39,;10.42,-.39,;11.19,-1.72,;12.73,-1.72,;13.51,-.39,;12.73,.95,;11.19,.95,;1.95,.95,;1.95,-.59,;1.95,2.49,;.41,.95,;-.36,-.39,;.41,-1.72,;-1.9,-.39,;-2.67,-1.72,;-4.21,-1.72,;-4.97,-.39,;-4.21,.95,;-2.67,.95,;-1.9,2.28,;-2.67,3.61,;-4.21,3.61,;-4.97,4.95,;-4.21,6.28,;-4.68,7.74,;-3.44,8.65,;-2.19,7.74,;-2.67,6.28,;-1.9,4.95,;-6.52,-.39,;-7.29,-1.72,;-8.83,-1.72,;-9.6,-.39,;-8.83,.95,;-7.29,.95,;-11.14,-.39,;-12.04,.86,;-13.51,.38,;-13.51,-1.16,;-12.04,-1.63,;-11.56,-3.1,;-12.65,-4.19,;-12.25,-5.68,;-13.34,-6.76,;-12.95,-8.25,;-11.46,-8.65,;-10.37,-7.56,;-10.77,-6.07,)|
COc1ccccc1C1CCCN1C1CCC(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |(-14.37,-6.17,;-13.28,-5.08,;-11.79,-5.48,;-11.39,-6.96,;-9.9,-7.36,;-8.82,-6.27,;-9.21,-4.79,;-10.7,-4.39,;-11.18,-2.92,;-12.64,-2.45,;-12.64,-.91,;-11.18,-.43,;-10.27,-1.68,;-8.73,-1.68,;-7.96,-3.01,;-6.42,-3.01,;-5.65,-1.68,;-6.42,-.34,;-7.96,-.34,;-4.11,-1.68,;-3.34,-3.01,;-1.8,-3.01,;-1.03,-1.68,;.51,-1.68,;1.28,-3.01,;1.28,-.34,;2.82,-.34,;2.82,-1.88,;2.82,1.2,;4.36,-.34,;5.13,-1.68,;6.67,-1.68,;7.44,-.34,;8.98,-.34,;9.75,-1.68,;11.29,-1.68,;12.06,-3.01,;13.6,-3.01,;14.37,-1.68,;13.6,-.34,;12.06,-.34,;6.74,1.05,;5.13,.99,;7.53,2.38,;9.07,2.36,;6.77,3.72,;-1.8,-.34,;-1.03,.99,;-1.8,2.32,;-3.34,2.32,;-4.11,3.66,;-3.34,4.99,;-3.82,6.46,;-2.57,7.36,;-1.33,6.46,;-1.8,4.99,;-1.03,3.66,;-3.34,-.34,)|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC(CC1)N1CCCC1c1ccccc1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC(CC1)N1CCCC1c1ccccc1Cl
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC(CC1)N1CCCC1c1ccccc1C1CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cn1)N1CCCC1c1ccccc1C1CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1cc2cc(ccc2s1)N1CCC[C@@H]1c1ccccc1 |r|
CN(C1CCC(CC1)N1CCCC1c1ccccc1C1CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |(-5.49,-5.23,;-4.9,-3.81,;-5.99,-2.72,;-7.48,-3.12,;-8.57,-2.03,;-8.17,-.54,;-6.68,-.14,;-5.59,-1.23,;-9.26,.55,;-9.02,2.07,;-10.39,2.77,;-11.48,1.68,;-10.78,.31,;-11.48,-1.06,;-10.71,-2.4,;-11.48,-3.73,;-13.02,-3.73,;-13.79,-2.4,;-13.02,-1.06,;-13.79,.27,;-13.79,1.81,;-15.12,1.04,;-3.36,-3.81,;-2.59,-5.14,;-1.05,-5.14,;-.28,-3.81,;1.26,-3.81,;2.03,-5.14,;2.03,-2.47,;3.57,-2.47,;3.57,-.93,;3.57,-4.01,;5.11,-2.47,;5.88,-3.81,;7.42,-3.81,;8.19,-2.47,;9.73,-2.47,;10.5,-3.81,;12.04,-3.81,;12.81,-5.14,;14.35,-5.14,;15.12,-3.81,;14.35,-2.47,;12.81,-2.47,;7.45,-1.09,;5.88,-1.14,;8.22,.24,;9.76,.24,;7.45,1.57,;-1.05,-2.47,;-.28,-1.14,;-1.05,.19,;-2.59,.19,;-3.36,1.53,;-2.59,2.86,;-3.07,4.33,;-1.82,5.23,;-.57,4.33,;-1.05,2.86,;-.28,1.53,;-2.59,-2.47,)|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CC2(C1)CCC(CC2)N1CCC[C@H]1c1ccccc1C1CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CCC(CC2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r|
CN(C)c1c(Cl)cccc1C1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
[O-][N+](=O)c1cc(ccc1OCC1(F)CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1c1ccccc1Cl
[O-][N+](=O)c1cc(ccc1OCC1(F)CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |t:45|
CN1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)-c2ccc(cc2)N2CCCC2c2ccccc2Cl)CC1
CN1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCCC2c2ccccc2C2CC2)CC1 |t:42|
[O-][N+](=O)c1cc(ccc1NC1CN(C1)C1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1c1ccccc1Cl
[O-][N+](=O)c1cc(ccc1NC1CCN(CC1)C1COC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1c1ccccc1Cl
OC1(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)-c2ccc(cc2)N2CCCC2c2ccccc2Cl)COC1
OC1CCC(COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)-c2ccc(cc2)N2CCCC2c2ccccc2Cl)CC1 |(14.66,-1.7,;13.12,-1.7,;12.35,-3.03,;10.81,-3.03,;10.04,-1.7,;8.5,-1.7,;7.73,-.37,;6.19,-.37,;5.42,-1.7,;3.88,-1.7,;3.11,-.37,;3.88,.97,;5.5,1.03,;6.28,2.36,;7.82,2.34,;5.53,3.7,;1.57,-.37,;1.57,1.17,;1.57,-1.91,;-.15,-.37,;-.92,-1.7,;-.15,-3.03,;-2.46,-1.7,;-3.23,-3.03,;-4.77,-3.03,;-5.54,-1.7,;-4.77,-.37,;-3.23,-.37,;-2.46,.97,;-3.23,2.3,;-4.77,2.3,;-5.54,3.64,;-4.77,4.97,;-5.24,6.43,;-4,7.34,;-2.75,6.43,;-3.23,4.97,;-2.46,3.64,;-7.08,-1.7,;-7.85,-.37,;-9.39,-.37,;-10.16,-1.7,;-9.39,-3.03,;-7.85,-3.03,;-11.7,-1.7,;-12.6,-.45,;-14.07,-.93,;-14.07,-2.47,;-12.6,-2.95,;-12.13,-4.41,;-10.62,-4.73,;-10.14,-6.19,;-11.17,-7.34,;-12.68,-7.02,;-13.16,-5.55,;-14.66,-5.23,;10.81,-.37,;12.35,-.37,)|
[O-][N+](=O)c1cc(ccc1NC[C@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |r,t:44|
[O-][N+](=O)c1cc(ccc1NC[C@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCC[C@H]1c1ccccc1C1CC1 |r,t:44|
[O-][N+](=O)c1cc(ccc1NC[C@@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCC[C@H]1c1ccccc1C1CC1 |r,t:44|
[O-][N+](=O)c1cc(ccc1NC[C@@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCC[C@@H]1c1ccccc1C1CC1 |r,t:44|
[O-][N+](=O)c1cc(ccc1NC[C@@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |r,t:44|
CC1(O)CCC(COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@@H]2c2ccccc2C2CC2)CC1 |r,t:43|
CC1(O)CCC(COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,t:43|
CC1(O)CCC(COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,t:43|
C[C@@]1(O)CCC(COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wU:1.1,wD:49.55,1.0,t:43,(15.2,.2,;13.87,.97,;14.96,2.06,;13.1,2.3,;11.56,2.3,;10.79,.97,;9.25,.97,;8.48,-.37,;6.94,-.37,;6.17,-1.7,;4.63,-1.7,;3.86,-.37,;4.63,.97,;6.24,1.03,;7.03,2.36,;8.57,2.34,;6.27,3.7,;2.32,-.37,;2.32,1.17,;2.32,-1.91,;.78,-.37,;.01,-1.7,;.78,-3.03,;-1.53,-1.7,;-2.3,-3.03,;-3.84,-3.03,;-4.61,-1.7,;-3.84,-.37,;-2.3,-.37,;-1.53,.97,;-2.3,2.3,;-3.84,2.3,;-4.61,3.64,;-3.84,4.97,;-4.32,6.43,;-3.07,7.34,;-1.83,6.43,;-2.3,4.97,;-1.53,3.64,;-6.15,-1.7,;-6.92,-.37,;-8.46,-.37,;-9.23,-1.7,;-8.46,-3.03,;-6.92,-3.03,;-10.77,-1.7,;-11.68,-.45,;-13.14,-.93,;-13.14,-2.47,;-11.68,-2.95,;-11.2,-4.41,;-9.69,-4.73,;-9.22,-6.19,;-10.25,-7.34,;-11.76,-7.02,;-12.23,-5.55,;-13.74,-5.23,;-14.88,-4.2,;-15.2,-5.71,;11.56,-.37,;13.1,-.37,)|
C[C@@]1(O)CCC(COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wU:1.0,wD:49.55,1.1,t:43,(15.2,.2,;13.87,.97,;14.96,2.06,;13.1,-.37,;11.56,-.37,;10.79,.97,;9.25,.97,;8.48,-.37,;6.94,-.37,;6.17,-1.7,;4.63,-1.7,;3.86,-.37,;4.63,.97,;6.24,1.03,;7.03,2.36,;8.57,2.34,;6.27,3.7,;2.32,-.37,;2.32,1.17,;2.32,-1.91,;.78,-.37,;.01,-1.7,;.78,-3.03,;-1.53,-1.7,;-2.3,-3.03,;-3.84,-3.03,;-4.61,-1.7,;-3.84,-.37,;-2.3,-.37,;-1.53,.97,;-2.3,2.3,;-3.84,2.3,;-4.61,3.64,;-3.84,4.97,;-4.32,6.43,;-3.07,7.34,;-1.83,6.43,;-2.3,4.97,;-1.53,3.64,;-6.15,-1.7,;-6.92,-.37,;-8.46,-.37,;-9.23,-1.7,;-8.46,-3.03,;-6.92,-3.03,;-10.77,-1.7,;-11.68,-.45,;-13.14,-.93,;-13.14,-2.47,;-11.68,-2.95,;-11.2,-4.41,;-9.69,-4.73,;-9.22,-6.19,;-10.25,-7.34,;-11.76,-7.02,;-12.23,-5.55,;-13.74,-5.23,;-14.88,-4.2,;-15.2,-5.71,;11.56,2.3,;13.1,2.3,)|
[O-][N+](=O)c1cc(ccc1NCC1CN(CCO1)C1COC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |t:49|
[O-][N+](=O)c1cc(ccc1OCC1CCC2(COC2)CC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |t:48|
[O-][N+](=O)c1cc(ccc1N[C@H]1CC[C@@H](CC1)N(CC1CC1)CC1CC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |r,wU:10.10,wD:13.17,t:54,(8.57,2.57,;7.03,2.59,;6.27,3.93,;6.24,1.26,;4.63,1.2,;3.86,-.13,;4.63,-1.47,;6.17,-1.47,;6.94,-.13,;8.48,-.13,;9.25,-1.47,;10.79,-1.47,;11.56,-2.8,;10.79,-4.13,;9.25,-4.13,;8.48,-2.8,;11.56,-5.47,;10.79,-6.8,;9.25,-6.8,;7.91,-6.03,;7.91,-7.57,;13.1,-5.47,;13.87,-4.13,;15.2,-3.36,;13.87,-2.59,;2.32,-.13,;2.32,1.41,;2.32,-1.67,;.78,-.13,;.01,-1.47,;.78,-2.8,;-1.53,-1.47,;-2.3,-2.8,;-3.84,-2.8,;-4.61,-1.47,;-3.84,-.13,;-2.3,-.13,;-1.53,1.2,;-2.3,2.53,;-3.84,2.53,;-4.61,3.87,;-3.84,5.2,;-4.32,6.67,;-3.07,7.57,;-1.83,6.67,;-2.3,5.2,;-1.53,3.87,;-6.15,-1.47,;-6.92,-.13,;-8.46,-.13,;-9.23,-1.47,;-8.46,-2.8,;-6.92,-2.8,;-10.77,-1.47,;-11.68,-.22,;-13.14,-.7,;-13.14,-2.24,;-11.68,-2.71,;-11.2,-4.18,;-9.69,-4.5,;-9.22,-5.96,;-10.25,-7.11,;-11.76,-6.79,;-12.23,-5.32,;-13.74,-5,;-14.88,-3.97,;-15.2,-5.48,)|
[O-][N+](=O)c1cc(ccc1NCC1CN(CCO1)C1CC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |t:48|
CN(C)CC(=O)N1CCOC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCCC2c2ccccc2C2CC2)C1 |t:48|
[O-][N+](=O)c1cc(ccc1OCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |t:44|
CC1(O)CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCCC2c2ccccc2C2CC2)CC1 |t:43,(15.2,.2,;13.87,.97,;15.2,1.74,;13.1,2.3,;11.56,2.3,;10.79,.97,;9.25,.97,;8.48,-.37,;6.94,-.37,;6.17,-1.7,;4.63,-1.7,;3.86,-.37,;4.63,.97,;6.24,1.03,;7.03,2.36,;8.57,2.34,;6.27,3.7,;2.32,-.37,;2.32,1.17,;2.32,-1.91,;.78,-.37,;.01,-1.7,;.78,-3.03,;-1.53,-1.7,;-2.3,-3.03,;-3.84,-3.03,;-4.61,-1.7,;-3.84,-.37,;-2.3,-.37,;-1.53,.97,;-2.3,2.3,;-3.84,2.3,;-4.61,3.64,;-3.84,4.97,;-4.32,6.43,;-3.07,7.34,;-1.83,6.43,;-2.3,4.97,;-1.53,3.64,;-6.15,-1.7,;-6.92,-.37,;-8.46,-.37,;-9.23,-1.7,;-8.46,-3.03,;-6.92,-3.03,;-10.77,-1.7,;-11.68,-.45,;-13.14,-.93,;-13.14,-2.47,;-11.68,-2.95,;-11.2,-4.41,;-9.69,-4.73,;-9.22,-6.19,;-10.25,-7.34,;-11.76,-7.02,;-12.23,-5.55,;-13.74,-5.23,;-14.88,-4.2,;-15.2,-5.71,;11.56,-.37,;13.1,-.37,)|
CC1(O)CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wD:49.55,t:43,(15.2,.2,;13.87,.97,;15.2,1.74,;13.1,2.3,;11.56,2.3,;10.79,.97,;9.25,.97,;8.48,-.37,;6.94,-.37,;6.17,-1.7,;4.63,-1.7,;3.86,-.37,;4.63,.97,;6.24,1.03,;7.03,2.36,;8.57,2.34,;6.27,3.7,;2.32,-.37,;2.32,1.17,;2.32,-1.91,;.78,-.37,;.01,-1.7,;.78,-3.03,;-1.53,-1.7,;-2.3,-3.03,;-3.84,-3.03,;-4.61,-1.7,;-3.84,-.37,;-2.3,-.37,;-1.53,.97,;-2.3,2.3,;-3.84,2.3,;-4.61,3.64,;-3.84,4.97,;-4.32,6.43,;-3.07,7.34,;-1.83,6.43,;-2.3,4.97,;-1.53,3.64,;-6.15,-1.7,;-6.92,-.37,;-8.46,-.37,;-9.23,-1.7,;-8.46,-3.03,;-6.92,-3.03,;-10.77,-1.7,;-11.68,-.45,;-13.14,-.93,;-13.14,-2.47,;-11.68,-2.95,;-11.2,-4.41,;-9.69,-4.73,;-9.22,-6.19,;-10.25,-7.34,;-11.76,-7.02,;-12.23,-5.55,;-13.74,-5.23,;-14.88,-4.2,;-15.2,-5.71,;11.56,-.37,;13.1,-.37,)|
C[C@@]1(O)CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wU:1.1,wD:49.55,1.0,t:43,(15.2,.2,;13.87,.97,;15.2,1.74,;13.1,2.3,;11.56,2.3,;10.79,.97,;9.25,.97,;8.48,-.37,;6.94,-.37,;6.17,-1.7,;4.63,-1.7,;3.86,-.37,;4.63,.97,;6.24,1.03,;7.03,2.36,;8.57,2.34,;6.27,3.7,;2.32,-.37,;2.32,1.17,;2.32,-1.91,;.78,-.37,;.01,-1.7,;.78,-3.03,;-1.53,-1.7,;-2.3,-3.03,;-3.84,-3.03,;-4.61,-1.7,;-3.84,-.37,;-2.3,-.37,;-1.53,.97,;-2.3,2.3,;-3.84,2.3,;-4.61,3.64,;-3.84,4.97,;-4.32,6.43,;-3.07,7.34,;-1.83,6.43,;-2.3,4.97,;-1.53,3.64,;-6.15,-1.7,;-6.92,-.37,;-8.46,-.37,;-9.23,-1.7,;-8.46,-3.03,;-6.92,-3.03,;-10.77,-1.7,;-11.68,-.45,;-13.14,-.93,;-13.14,-2.47,;-11.68,-2.95,;-11.2,-4.41,;-9.69,-4.73,;-9.22,-6.19,;-10.25,-7.34,;-11.76,-7.02,;-12.23,-5.55,;-13.74,-5.23,;-14.88,-4.2,;-15.2,-5.71,;11.56,-.37,;13.1,-.37,)|
C[C@@]1(O)CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wU:1.0,wD:49.55,1.1,t:43,(15.2,.2,;13.87,.97,;15.2,1.74,;13.1,-.37,;11.56,-.37,;10.79,.97,;9.25,.97,;8.48,-.37,;6.94,-.37,;6.17,-1.7,;4.63,-1.7,;3.86,-.37,;4.63,.97,;6.24,1.03,;7.03,2.36,;8.57,2.34,;6.27,3.7,;2.32,-.37,;2.32,1.17,;2.32,-1.91,;.78,-.37,;.01,-1.7,;.78,-3.03,;-1.53,-1.7,;-2.3,-3.03,;-3.84,-3.03,;-4.61,-1.7,;-3.84,-.37,;-2.3,-.37,;-1.53,.97,;-2.3,2.3,;-3.84,2.3,;-4.61,3.64,;-3.84,4.97,;-4.32,6.43,;-3.07,7.34,;-1.83,6.43,;-2.3,4.97,;-1.53,3.64,;-6.15,-1.7,;-6.92,-.37,;-8.46,-.37,;-9.23,-1.7,;-8.46,-3.03,;-6.92,-3.03,;-10.77,-1.7,;-11.68,-.45,;-13.14,-.93,;-13.14,-2.47,;-11.68,-2.95,;-11.2,-4.41,;-9.69,-4.73,;-9.22,-6.19,;-10.25,-7.34,;-11.76,-7.02,;-12.23,-5.55,;-13.74,-5.23,;-14.88,-4.2,;-15.2,-5.71,;11.56,2.3,;13.1,2.3,)|
C[C@@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wU:1.0,wD:49.55,5.5,1.1,t:43,(15.2,.2,;13.87,.97,;15.2,1.74,;13.1,-.37,;11.56,-.37,;10.79,.97,;9.25,.97,;8.48,-.37,;6.94,-.37,;6.17,-1.7,;4.63,-1.7,;3.86,-.37,;4.63,.97,;6.24,1.03,;7.03,2.36,;8.57,2.34,;6.27,3.7,;2.32,-.37,;2.32,1.17,;2.32,-1.91,;.78,-.37,;.01,-1.7,;.78,-3.03,;-1.53,-1.7,;-2.3,-3.03,;-3.84,-3.03,;-4.61,-1.7,;-3.84,-.37,;-2.3,-.37,;-1.53,.97,;-2.3,2.3,;-3.84,2.3,;-4.61,3.64,;-3.84,4.97,;-4.32,6.43,;-3.07,7.34,;-1.83,6.43,;-2.3,4.97,;-1.53,3.64,;-6.15,-1.7,;-6.92,-.37,;-8.46,-.37,;-9.23,-1.7,;-8.46,-3.03,;-6.92,-3.03,;-10.77,-1.7,;-11.68,-.45,;-13.14,-.93,;-13.14,-2.47,;-11.68,-2.95,;-11.2,-4.41,;-9.69,-4.73,;-9.22,-6.19,;-10.25,-7.34,;-11.76,-7.02,;-12.23,-5.55,;-13.74,-5.23,;-14.88,-4.2,;-15.2,-5.71,;11.56,2.3,;13.1,2.3,)|
[O-][N+](=O)c1cc(ccc1NCC1CNCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |t:44|
[O-][N+](=O)c1cc(ccc1NCC1(F)CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |t:45|
[O-][N+](=O)c1cc(ccc1NCC1(F)CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCC[C@H]1c1ccccc1C1CC1 |r,t:45|
[O-][N+](=O)c1cc(ccc1NCC1(F)CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCC[C@@H]1c1ccccc1C1CC1 |r,t:45|
CN1CCOC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCCC2c2ccccc2C2CC2)C1 |t:43|
CC(=O)N1CCOC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCCC2c2ccccc2C2CC2)C1 |t:45|
[O-][N+](=O)c1cc(ccc1OCC1(F)CCN(CC1)C1COC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCC[C@H]1c1ccccc1C1CC1 |r,t:50|
[O-][N+](=O)c1cc(ccc1OCC1(F)CCN(CC1)C1COC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCC[C@@H]1c1ccccc1C1CC1 |r,t:50|
[O-][N+](=O)c1cc(ccc1OCC1(F)CCN(CC1)C1COC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CC[C@@H](CC1)N1CCC[C@@H]1c1ccccc1C1CC1 |r,t:50|
[O-][N+](=O)c1cc(ccc1OCC1(F)CCN(CC1)C1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |t:52|
[O-][N+](=O)c1cc(ccc1NC[C@H]1CCN(C1)C1COC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |r,t:48|
[O-][N+](=O)c1cc(ccc1NC[C@@H]1CCN(C1)C1COC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |r,t:48|
[O-][N+](=O)c1cc(ccc1OCC1(F)CCN(CC1)C1CC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |t:49|
[O-][N+](=O)c1cc(ccc1NC1CCN(C1)C(CF)CF)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |t:47|
[O-][N+](=O)c1cc(ccc1NCC1CCN(CC1)C1COC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCC[C@@H]1c1ccccc1C1CC1 |r,t:49|
[O-][N+](=O)c1cc(ccc1NCC1CCN(CC1)C1COC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCC[C@H]1c1ccccc1C1CC1 |r,t:49|
[O-][N+](=O)c1cc(ccc1NCC1CCN(CC1)C1COC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |t:49|
[O-][N+](=O)c1cc(ccc1NC[C@@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1CCC(CC1)N1CCCC1c1ccccc1C1CC1 |r,wU:11.11,(9.17,2.35,;7.63,2.35,;6.86,3.68,;6.86,1.02,;5.3,.97,;4.53,-.37,;5.3,-1.7,;6.84,-1.7,;7.61,-.37,;9.15,-.37,;9.92,.97,;11.46,.97,;12.23,-.37,;13.77,-.37,;14.54,.97,;13.77,2.3,;12.23,2.3,;2.99,-.37,;2.99,1.17,;2.99,-1.91,;1.45,-.37,;.68,-1.7,;1.45,-3.03,;-.86,-1.7,;-1.63,-3.03,;-3.17,-3.03,;-3.94,-1.7,;-3.17,-.37,;-1.63,-.37,;-.86,.97,;-1.63,2.3,;-3.17,2.3,;-3.94,3.64,;-3.17,4.97,;-3.65,6.43,;-2.4,7.34,;-1.16,6.43,;-1.63,4.97,;-.86,3.64,;-5.48,-1.7,;-6.25,-.37,;-7.79,-.37,;-8.56,-1.7,;-7.79,-3.03,;-6.25,-3.03,;-10.1,-1.7,;-11.01,-.45,;-12.47,-.93,;-12.47,-2.47,;-11.01,-2.95,;-10.53,-4.41,;-9.03,-4.73,;-8.55,-6.19,;-9.58,-7.34,;-11.09,-7.02,;-11.56,-5.55,;-13.07,-5.23,;-14.22,-4.2,;-14.54,-5.71,)|
[O-][N+](=O)c1cc(ccc1NC[C@@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1CCC(CC1)N1CCC[C@H]1c1ccccc1C1CC1 |r,wU:11.11,wD:49.56,(9.17,2.35,;7.63,2.35,;6.86,3.68,;6.86,1.02,;5.3,.97,;4.53,-.37,;5.3,-1.7,;6.84,-1.7,;7.61,-.37,;9.15,-.37,;9.92,.97,;11.46,.97,;12.23,-.37,;13.77,-.37,;14.54,.97,;13.77,2.3,;12.23,2.3,;2.99,-.37,;2.99,1.17,;2.99,-1.91,;1.45,-.37,;.68,-1.7,;1.45,-3.03,;-.86,-1.7,;-1.63,-3.03,;-3.17,-3.03,;-3.94,-1.7,;-3.17,-.37,;-1.63,-.37,;-.86,.97,;-1.63,2.3,;-3.17,2.3,;-3.94,3.64,;-3.17,4.97,;-3.65,6.43,;-2.4,7.34,;-1.16,6.43,;-1.63,4.97,;-.86,3.64,;-5.48,-1.7,;-6.25,-.37,;-7.79,-.37,;-8.56,-1.7,;-7.79,-3.03,;-6.25,-3.03,;-10.1,-1.7,;-11.01,-.45,;-12.47,-.93,;-12.47,-2.47,;-11.01,-2.95,;-10.53,-4.41,;-9.03,-4.73,;-8.55,-6.19,;-9.58,-7.34,;-11.09,-7.02,;-11.56,-5.55,;-13.07,-5.23,;-14.22,-4.2,;-14.54,-5.71,)|
[O-][N+](=O)c1cc(ccc1NC[C@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1CCC(CC1)N1CCCC1c1ccccc1C1CC1 |r,wD:11.11,(9.17,2.35,;7.63,2.35,;6.86,3.68,;6.86,1.02,;5.3,.97,;4.53,-.37,;5.3,-1.7,;6.84,-1.7,;7.61,-.37,;9.15,-.37,;9.92,.97,;11.46,.97,;12.23,-.37,;13.77,-.37,;14.54,.97,;13.77,2.3,;12.23,2.3,;2.99,-.37,;2.99,1.17,;2.99,-1.91,;1.45,-.37,;.68,-1.7,;1.45,-3.03,;-.86,-1.7,;-1.63,-3.03,;-3.17,-3.03,;-3.94,-1.7,;-3.17,-.37,;-1.63,-.37,;-.86,.97,;-1.63,2.3,;-3.17,2.3,;-3.94,3.64,;-3.17,4.97,;-3.65,6.43,;-2.4,7.34,;-1.16,6.43,;-1.63,4.97,;-.86,3.64,;-5.48,-1.7,;-6.25,-.37,;-7.79,-.37,;-8.56,-1.7,;-7.79,-3.03,;-6.25,-3.03,;-10.1,-1.7,;-11.01,-.45,;-12.47,-.93,;-12.47,-2.47,;-11.01,-2.95,;-10.53,-4.41,;-9.03,-4.73,;-8.55,-6.19,;-9.58,-7.34,;-11.09,-7.02,;-11.56,-5.55,;-13.07,-5.23,;-14.22,-4.2,;-14.54,-5.71,)|
[O-][N+](=O)c1cc(ccc1NC[C@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1CCC(CC1)N1CCC[C@H]1c1ccccc1C1CC1 |r,wD:49.56,11.11,(9.17,2.35,;7.63,2.35,;6.86,3.68,;6.86,1.02,;5.3,.97,;4.53,-.37,;5.3,-1.7,;6.84,-1.7,;7.61,-.37,;9.15,-.37,;9.92,.97,;11.46,.97,;12.23,-.37,;13.77,-.37,;14.54,.97,;13.77,2.3,;12.23,2.3,;2.99,-.37,;2.99,1.17,;2.99,-1.91,;1.45,-.37,;.68,-1.7,;1.45,-3.03,;-.86,-1.7,;-1.63,-3.03,;-3.17,-3.03,;-3.94,-1.7,;-3.17,-.37,;-1.63,-.37,;-.86,.97,;-1.63,2.3,;-3.17,2.3,;-3.94,3.64,;-3.17,4.97,;-3.65,6.43,;-2.4,7.34,;-1.16,6.43,;-1.63,4.97,;-.86,3.64,;-5.48,-1.7,;-6.25,-.37,;-7.79,-.37,;-8.56,-1.7,;-7.79,-3.03,;-6.25,-3.03,;-10.1,-1.7,;-11.01,-.45,;-12.47,-.93,;-12.47,-2.47,;-11.01,-2.95,;-10.53,-4.41,;-9.03,-4.73,;-8.55,-6.19,;-9.58,-7.34,;-11.09,-7.02,;-11.56,-5.55,;-13.07,-5.23,;-14.22,-4.2,;-14.54,-5.71,)|
OC1CCC(COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wD:48.54,t:42,(15.31,-1.7,;13.77,-1.7,;13,-3.03,;11.46,-3.03,;10.69,-1.7,;9.15,-1.7,;8.38,-.37,;6.84,-.37,;6.07,-1.7,;4.53,-1.7,;3.76,-.37,;4.53,.97,;6.09,1.02,;6.86,2.35,;8.4,2.35,;6.09,3.68,;2.22,-.37,;2.22,1.17,;2.22,-1.91,;.68,-.37,;-.09,-1.7,;.68,-3.03,;-1.63,-1.7,;-2.4,-3.03,;-3.94,-3.03,;-4.71,-1.7,;-3.94,-.37,;-2.4,-.37,;-1.63,.97,;-2.4,2.3,;-3.94,2.3,;-4.71,3.64,;-3.94,4.97,;-4.42,6.43,;-3.17,7.34,;-1.93,6.43,;-2.4,4.97,;-1.63,3.64,;-6.25,-1.7,;-7.02,-.37,;-8.56,-.37,;-9.33,-1.7,;-8.56,-3.03,;-7.02,-3.03,;-10.87,-1.7,;-11.78,-.45,;-13.24,-.93,;-13.24,-2.47,;-11.78,-2.95,;-11.3,-4.41,;-9.8,-4.73,;-9.32,-6.19,;-10.35,-7.34,;-11.86,-7.02,;-12.33,-5.55,;-13.84,-5.23,;-14.99,-4.2,;-15.31,-5.71,;11.46,-.37,;13,-.37,)|
OC1CCC(COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@@H]2c2ccccc2C2CC2)CC1 |r,wU:48.54,t:42,(15.31,-1.7,;13.77,-1.7,;13,-3.03,;11.46,-3.03,;10.69,-1.7,;9.15,-1.7,;8.38,-.37,;6.84,-.37,;6.07,-1.7,;4.53,-1.7,;3.76,-.37,;4.53,.97,;6.09,1.02,;6.86,2.35,;8.4,2.35,;6.09,3.68,;2.22,-.37,;2.22,1.17,;2.22,-1.91,;.68,-.37,;-.09,-1.7,;.68,-3.03,;-1.63,-1.7,;-2.4,-3.03,;-3.94,-3.03,;-4.71,-1.7,;-3.94,-.37,;-2.4,-.37,;-1.63,.97,;-2.4,2.3,;-3.94,2.3,;-4.71,3.64,;-3.94,4.97,;-4.42,6.43,;-3.17,7.34,;-1.93,6.43,;-2.4,4.97,;-1.63,3.64,;-6.25,-1.7,;-7.02,-.37,;-8.56,-.37,;-9.33,-1.7,;-8.56,-3.03,;-7.02,-3.03,;-10.87,-1.7,;-11.78,-.45,;-13.24,-.93,;-13.24,-2.47,;-11.78,-2.95,;-11.3,-4.41,;-9.8,-4.73,;-9.32,-6.19,;-10.35,-7.34,;-11.86,-7.02,;-12.33,-5.55,;-13.84,-5.23,;-14.99,-4.2,;-15.31,-5.71,;11.46,-.37,;13,-.37,)|
[O-][N+](=O)c1cc(ccc1NC(=O)N1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |t:45|
CC(C)c1ccccc1[C@@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3(F)CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CC(C)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3(F)CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
[O-][N+](=O)c1cc(ccc1NC[C@@H]1CCN(C1)C1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |r,t:50|
CCc1ccccc1[C@@H]1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3(F)CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,c:18|
CCc1ccccc1[C@H]1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3(F)CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,c:18|
CC(C)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:9.9,39.43,wD:36.38,39.42,(-15.09,-6.38,;-14.06,-5.23,;-14.53,-3.77,;-12.55,-5.55,;-12.08,-7.02,;-10.57,-7.34,;-9.54,-6.19,;-10.01,-4.73,;-11.52,-4.41,;-12,-2.95,;-13.46,-2.47,;-13.46,-.93,;-12,-.45,;-11.09,-1.7,;-9.55,-1.7,;-8.78,-3.03,;-7.24,-3.03,;-6.47,-1.7,;-7.24,-.37,;-8.78,-.37,;-4.93,-1.7,;-4.16,-3.03,;-2.62,-3.03,;-1.85,-1.7,;-.31,-1.7,;.46,-3.03,;.46,-.37,;2,-.37,;2,1.17,;2,-1.91,;3.54,-.37,;4.31,-1.7,;5.85,-1.7,;6.62,-.37,;8.16,-.37,;8.93,-1.7,;10.47,-1.7,;11.24,-3.03,;12.78,-3.03,;13.55,-1.7,;15.09,-1.7,;14.32,-.37,;12.78,-.37,;11.24,-.37,;5.92,1.03,;4.31,.97,;6.71,2.36,;8.25,2.34,;5.95,3.7,;-2.62,-.37,;-1.85,.97,;-2.62,2.3,;-4.16,2.3,;-4.93,3.64,;-4.16,4.97,;-4.64,6.43,;-3.39,7.34,;-2.15,6.43,;-2.62,4.97,;-1.85,3.64,;-4.16,-.37,)|
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)-c2ccc(cc2)N2CCC[C@@H]2c2ccccc2C2CC2)CC1 |r,wU:49.55,1.1,wD:5.5,1.0,(15.31,-1.7,;13.77,-1.7,;14.54,-.37,;13,-3.03,;11.46,-3.03,;10.69,-1.7,;9.15,-1.7,;8.38,-.37,;6.84,-.37,;6.07,-1.7,;4.53,-1.7,;3.76,-.37,;4.53,.97,;6.14,1.03,;6.92,2.36,;8.46,2.34,;6.17,3.7,;2.22,-.37,;2.22,1.17,;2.22,-1.91,;.68,-.37,;-.09,-1.7,;.68,-3.03,;-1.63,-1.7,;-2.4,-3.03,;-3.94,-3.03,;-4.71,-1.7,;-3.94,-.37,;-2.4,-.37,;-1.63,.97,;-2.4,2.3,;-3.94,2.3,;-4.71,3.64,;-3.94,4.97,;-4.42,6.43,;-3.17,7.34,;-1.93,6.43,;-2.4,4.97,;-1.63,3.64,;-6.25,-1.7,;-7.02,-3.03,;-8.56,-3.03,;-9.33,-1.7,;-8.56,-.37,;-7.02,-.37,;-10.87,-1.7,;-11.78,-.45,;-13.24,-.93,;-13.24,-2.47,;-11.78,-2.95,;-11.3,-4.41,;-9.8,-4.73,;-9.32,-6.19,;-10.35,-7.34,;-11.86,-7.02,;-12.33,-5.55,;-13.84,-5.23,;-14.99,-4.2,;-15.31,-5.71,;11.46,-.37,;13,-.37,)|
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)-c2ccc(cc2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wU:1.1,wD:49.55,5.5,1.0,(15.31,-1.7,;13.77,-1.7,;14.54,-.37,;13,-3.03,;11.46,-3.03,;10.69,-1.7,;9.15,-1.7,;8.38,-.37,;6.84,-.37,;6.07,-1.7,;4.53,-1.7,;3.76,-.37,;4.53,.97,;6.14,1.03,;6.92,2.36,;8.46,2.34,;6.17,3.7,;2.22,-.37,;2.22,1.17,;2.22,-1.91,;.68,-.37,;-.09,-1.7,;.68,-3.03,;-1.63,-1.7,;-2.4,-3.03,;-3.94,-3.03,;-4.71,-1.7,;-3.94,-.37,;-2.4,-.37,;-1.63,.97,;-2.4,2.3,;-3.94,2.3,;-4.71,3.64,;-3.94,4.97,;-4.42,6.43,;-3.17,7.34,;-1.93,6.43,;-2.4,4.97,;-1.63,3.64,;-6.25,-1.7,;-7.02,-3.03,;-8.56,-3.03,;-9.33,-1.7,;-8.56,-.37,;-7.02,-.37,;-10.87,-1.7,;-11.78,-.45,;-13.24,-.93,;-13.24,-2.47,;-11.78,-2.95,;-11.3,-4.41,;-9.8,-4.73,;-9.32,-6.19,;-10.35,-7.34,;-11.86,-7.02,;-12.33,-5.55,;-13.84,-5.23,;-14.99,-4.2,;-15.31,-5.71,;11.46,-.37,;13,-.37,)|
C[C@@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)-c2ccc(cc2)N2CCC[C@@H]2c2ccccc2C2CC2)CC1 |r,wU:49.55,1.0,wD:5.5,1.1,(14.54,-.37,;13.77,-1.7,;15.31,-1.7,;13,-3.03,;11.46,-3.03,;10.69,-1.7,;9.15,-1.7,;8.38,-.37,;6.84,-.37,;6.07,-1.7,;4.53,-1.7,;3.76,-.37,;4.53,.97,;6.14,1.03,;6.92,2.36,;8.46,2.34,;6.17,3.7,;2.22,-.37,;2.22,1.17,;2.22,-1.91,;.68,-.37,;-.09,-1.7,;.68,-3.03,;-1.63,-1.7,;-2.4,-3.03,;-3.94,-3.03,;-4.71,-1.7,;-3.94,-.37,;-2.4,-.37,;-1.63,.97,;-2.4,2.3,;-3.94,2.3,;-4.71,3.64,;-3.94,4.97,;-4.42,6.43,;-3.17,7.34,;-1.93,6.43,;-2.4,4.97,;-1.63,3.64,;-6.25,-1.7,;-7.02,-3.03,;-8.56,-3.03,;-9.33,-1.7,;-8.56,-.37,;-7.02,-.37,;-10.87,-1.7,;-11.78,-.45,;-13.24,-.93,;-13.24,-2.47,;-11.78,-2.95,;-11.3,-4.41,;-9.8,-4.73,;-9.32,-6.19,;-10.35,-7.34,;-11.86,-7.02,;-12.33,-5.55,;-13.84,-5.23,;-14.99,-4.2,;-15.31,-5.71,;11.46,-.37,;13,-.37,)|
C[C@@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)-c2ccc(cc2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wU:1.0,wD:49.55,5.5,1.1,(14.54,-.37,;13.77,-1.7,;15.31,-1.7,;13,-3.03,;11.46,-3.03,;10.69,-1.7,;9.15,-1.7,;8.38,-.37,;6.84,-.37,;6.07,-1.7,;4.53,-1.7,;3.76,-.37,;4.53,.97,;6.14,1.03,;6.92,2.36,;8.46,2.34,;6.17,3.7,;2.22,-.37,;2.22,1.17,;2.22,-1.91,;.68,-.37,;-.09,-1.7,;.68,-3.03,;-1.63,-1.7,;-2.4,-3.03,;-3.94,-3.03,;-4.71,-1.7,;-3.94,-.37,;-2.4,-.37,;-1.63,.97,;-2.4,2.3,;-3.94,2.3,;-4.71,3.64,;-3.94,4.97,;-4.42,6.43,;-3.17,7.34,;-1.93,6.43,;-2.4,4.97,;-1.63,3.64,;-6.25,-1.7,;-7.02,-3.03,;-8.56,-3.03,;-9.33,-1.7,;-8.56,-.37,;-7.02,-.37,;-10.87,-1.7,;-11.78,-.45,;-13.24,-.93,;-13.24,-2.47,;-11.78,-2.95,;-11.3,-4.41,;-9.8,-4.73,;-9.32,-6.19,;-10.35,-7.34,;-11.86,-7.02,;-12.33,-5.55,;-13.84,-5.23,;-14.99,-4.2,;-15.31,-5.71,;11.46,-.37,;13,-.37,)|
[O-][N+](=O)c1cc(ccc1NCC1(F)CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@@H]1c1ccccc1C1CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1(F)CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@H]1c1ccccc1C1CC1 |r|
[O-][N+](=O)c1cc(ccc1NC[C@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@@H]1c1ccccc1C1CC1 |r|
[O-][N+](=O)c1cc(ccc1NC[C@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@H]1c1ccccc1C1CC1 |r|
[O-][N+](=O)c1cc(ccc1NC[C@@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@@H]1c1ccccc1C1CC1 |r|
[O-][N+](=O)c1cc(ccc1NC[C@@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@H]1c1ccccc1C1CC1 |r|
[O-][N+](=O)c1cc(ccc1OCC1(F)CCN(CC1)C1COC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@@H]1c1ccccc1C1CC1 |r|
[O-][N+](=O)c1cc(ccc1OCC1(F)CCN(CC1)C1COC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@H]1c1ccccc1C1CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1(F)CCN(CC1)C1COC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@@H]1c1ccccc1C1CC1 |r|
CC1(O)CCC(F)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)-c2ccc(cc2)N2CCC[C@@H]2c2ccccc2C2CC2)CC1 |r|
CC1(O)CCC(F)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)-c2ccc(cc2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r|
CCc1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:8.8,38.42,wD:35.37,38.41,(-15.18,-6.18,;-14.09,-5.09,;-12.6,-5.49,;-12.2,-6.97,;-10.71,-7.37,;-9.62,-6.28,;-10.02,-4.8,;-11.51,-4.4,;-11.91,-2.91,;-13.37,-2.43,;-13.37,-.89,;-11.91,-.42,;-11,-1.66,;-9.46,-1.66,;-8.69,-.33,;-7.15,-.33,;-6.38,-1.66,;-7.15,-3,;-8.69,-3,;-4.84,-1.66,;-4.07,-3,;-2.53,-3,;-1.76,-1.66,;-.22,-1.66,;.55,-3,;.55,-.33,;2.09,-.33,;2.09,1.21,;2.09,-1.87,;3.63,-.33,;4.4,-1.66,;5.94,-1.66,;6.71,-.33,;8.25,-.33,;9.02,-1.66,;10.56,-1.66,;11.33,-3,;12.87,-3,;13.64,-1.66,;15.18,-1.66,;14.41,-.33,;12.87,-.33,;11.33,-.33,;5.96,1.05,;4.4,1,;6.73,2.38,;8.27,2.38,;5.96,3.72,;-2.53,-.33,;-1.76,1,;-2.53,2.34,;-4.07,2.34,;-4.84,3.67,;-4.07,5,;-4.55,6.47,;-3.3,7.37,;-2.06,6.47,;-2.53,5,;-1.76,3.67,;-4.07,-.33,)|
CCc1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(OCC3(F)CCN(CC3)C3COC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CC(C)c1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(OCC3(F)CCN(CC3)C3COC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCCC2c2cccc(Cl)c2C2CC2)CC1 |r,wU:1.1,wD:5.5,1.0,t:43,(15.27,-2.09,;13.94,-1.32,;15.27,-.55,;13.17,-2.65,;11.63,-2.65,;10.86,-1.32,;9.32,-1.32,;8.55,.01,;7.01,.01,;6.24,-1.32,;4.7,-1.32,;3.93,.01,;4.7,1.35,;6.27,1.4,;7.04,2.73,;8.58,2.73,;6.27,4.06,;2.39,.01,;2.39,1.55,;2.39,-1.53,;.85,.01,;.08,-1.32,;.85,-2.65,;-1.46,-1.32,;-2.23,-2.65,;-3.77,-2.65,;-4.54,-1.32,;-3.77,.01,;-2.23,.01,;-1.46,1.35,;-2.23,2.68,;-3.77,2.68,;-4.54,4.02,;-3.77,5.35,;-4.25,6.81,;-3,7.72,;-1.76,6.81,;-2.23,5.35,;-1.46,4.02,;-6.08,-1.32,;-6.85,.01,;-8.39,.01,;-9.16,-1.32,;-8.39,-2.65,;-6.85,-2.65,;-10.7,-1.32,;-11.61,-.07,;-13.07,-.55,;-13.07,-2.09,;-11.61,-2.57,;-11.21,-4.05,;-9.72,-4.45,;-9.32,-5.94,;-10.41,-7.03,;-11.9,-6.63,;-12.99,-7.72,;-12.3,-5.14,;-13.78,-4.74,;-14.87,-3.65,;-15.27,-5.14,;11.63,.01,;13.17,.01,)|
CCc1ccccc1[C@@H]1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:38.42,wD:8.8,35.37,38.41,c:18,(-15.07,-14.91,;-13.98,-13.82,;-12.5,-14.22,;-12.1,-15.71,;-10.61,-16.11,;-9.52,-15.02,;-9.92,-13.53,;-11.41,-13.13,;-11.81,-11.65,;-13.27,-11.17,;-13.27,-9.63,;-11.81,-9.15,;-10.9,-10.4,;-9.36,-10.4,;-8.59,-11.73,;-7.05,-11.73,;-6.28,-10.4,;-7.05,-9.07,;-8.59,-9.07,;-4.74,-10.4,;-3.97,-11.73,;-2.43,-11.73,;-1.66,-10.4,;-.12,-10.4,;.65,-11.73,;.65,-9.07,;2.19,-9.07,;2.19,-7.53,;2.19,-10.61,;3.73,-9.07,;4.5,-10.4,;6.04,-10.4,;6.81,-9.07,;8.35,-9.07,;9.12,-10.4,;10.66,-10.4,;11.43,-11.73,;12.97,-11.73,;13.74,-10.4,;15.07,-11.17,;15.07,-9.63,;12.97,-9.07,;11.43,-9.07,;6.07,-7.68,;4.5,-7.73,;6.84,-6.35,;8.38,-6.35,;6.07,-5.02,;-2.43,-9.07,;-1.66,-7.73,;-2.43,-6.4,;-3.97,-6.4,;-4.74,-5.06,;-3.97,-3.73,;-4.45,-2.27,;-3.2,-1.36,;-1.95,-2.27,;-2.43,-3.73,;-1.66,-5.06,;-3.97,-9.07,)|
CCc1ccccc1[C@@H]1CCCN1C1CCC(=CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:38.41,wD:8.8,35.37,38.42,c:18,(-15.07,-14.91,;-13.98,-13.82,;-12.5,-14.22,;-12.1,-15.71,;-10.61,-16.11,;-9.52,-15.02,;-9.92,-13.53,;-11.41,-13.13,;-11.81,-11.65,;-13.27,-11.17,;-13.27,-9.63,;-11.81,-9.15,;-10.9,-10.4,;-9.36,-10.4,;-8.59,-11.73,;-7.05,-11.73,;-6.28,-10.4,;-7.05,-9.07,;-8.59,-9.07,;-4.74,-10.4,;-3.97,-11.73,;-2.43,-11.73,;-1.66,-10.4,;-.12,-10.4,;.65,-11.73,;.65,-9.07,;2.19,-9.07,;2.19,-7.53,;2.19,-10.61,;3.73,-9.07,;4.5,-10.4,;6.04,-10.4,;6.81,-9.07,;8.35,-9.07,;9.12,-10.4,;10.66,-10.4,;11.43,-11.73,;12.97,-11.73,;13.74,-10.4,;15.07,-11.17,;15.07,-9.63,;12.97,-9.07,;11.43,-9.07,;6.07,-7.68,;4.5,-7.73,;6.84,-6.35,;8.38,-6.35,;6.07,-5.02,;-2.43,-9.07,;-1.66,-7.73,;-2.43,-6.4,;-3.97,-6.4,;-4.74,-5.06,;-3.97,-3.73,;-4.45,-2.27,;-3.2,-1.36,;-1.95,-2.27,;-2.43,-3.73,;-1.66,-5.06,;-3.97,-9.07,)|
CCC1(O)CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wD:50.56,t:44,(15.22,-8.2,;14.82,-9.69,;13.48,-10.46,;14.82,-11.23,;12.71,-11.79,;11.17,-11.79,;10.4,-10.46,;8.86,-10.46,;8.09,-9.12,;6.55,-9.12,;5.78,-10.46,;4.24,-10.46,;3.47,-9.12,;4.24,-7.79,;5.86,-7.73,;6.64,-6.4,;8.18,-6.42,;5.89,-5.06,;1.93,-9.12,;1.93,-7.58,;1.93,-10.66,;.39,-9.12,;-.38,-10.46,;.39,-11.79,;-1.92,-10.46,;-2.69,-11.79,;-4.23,-11.79,;-5,-10.46,;-4.23,-9.12,;-2.69,-9.12,;-1.92,-7.79,;-2.69,-6.46,;-4.23,-6.46,;-5,-5.12,;-4.23,-3.79,;-4.7,-2.32,;-3.46,-1.42,;-2.21,-2.32,;-2.69,-3.79,;-1.92,-5.12,;-6.54,-10.46,;-7.31,-9.12,;-8.85,-9.12,;-9.62,-10.46,;-8.85,-11.79,;-7.31,-11.79,;-11.16,-10.46,;-12.06,-9.21,;-13.53,-9.69,;-13.53,-11.23,;-12.06,-11.7,;-11.59,-13.17,;-10.08,-13.49,;-9.6,-14.95,;-10.63,-16.1,;-12.14,-15.78,;-12.62,-14.31,;-14.12,-13.99,;-15.27,-12.96,;-15.59,-14.47,;11.17,-9.12,;12.71,-9.12,)|
CCC1(O)CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@@H]2c2ccccc2C2CC2)CC1 |r,wU:50.56,t:44,(15.22,-8.2,;14.82,-9.69,;13.48,-10.46,;14.82,-11.23,;12.71,-11.79,;11.17,-11.79,;10.4,-10.46,;8.86,-10.46,;8.09,-9.12,;6.55,-9.12,;5.78,-10.46,;4.24,-10.46,;3.47,-9.12,;4.24,-7.79,;5.86,-7.73,;6.64,-6.4,;8.18,-6.42,;5.89,-5.06,;1.93,-9.12,;1.93,-7.58,;1.93,-10.66,;.39,-9.12,;-.38,-10.46,;.39,-11.79,;-1.92,-10.46,;-2.69,-11.79,;-4.23,-11.79,;-5,-10.46,;-4.23,-9.12,;-2.69,-9.12,;-1.92,-7.79,;-2.69,-6.46,;-4.23,-6.46,;-5,-5.12,;-4.23,-3.79,;-4.7,-2.32,;-3.46,-1.42,;-2.21,-2.32,;-2.69,-3.79,;-1.92,-5.12,;-6.54,-10.46,;-7.31,-9.12,;-8.85,-9.12,;-9.62,-10.46,;-8.85,-11.79,;-7.31,-11.79,;-11.16,-10.46,;-12.06,-9.21,;-13.53,-9.69,;-13.53,-11.23,;-12.06,-11.7,;-11.59,-13.17,;-10.08,-13.49,;-9.6,-14.95,;-10.63,-16.1,;-12.14,-15.78,;-12.62,-14.31,;-14.12,-13.99,;-15.27,-12.96,;-15.59,-14.47,;11.17,-9.12,;12.71,-9.12,)|
OC1CCC(F)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wD:49.55,t:43,(15.38,-7.47,;13.84,-7.47,;13.07,-6.13,;11.53,-6.13,;10.76,-7.47,;9.99,-6.13,;9.22,-7.47,;8.45,-8.8,;6.91,-8.8,;6.14,-10.14,;4.6,-10.14,;3.83,-8.8,;4.6,-7.47,;6.16,-7.42,;6.93,-6.09,;8.47,-6.09,;6.16,-4.75,;2.29,-8.8,;2.29,-7.26,;2.29,-10.34,;.75,-8.8,;-.02,-10.14,;.75,-11.47,;-1.56,-10.14,;-2.33,-11.47,;-3.87,-11.47,;-4.64,-10.14,;-3.87,-8.8,;-2.33,-8.8,;-1.56,-7.47,;-2.33,-6.13,;-3.87,-6.13,;-4.64,-4.8,;-3.87,-3.47,;-4.35,-2,;-3.1,-1.1,;-1.86,-2,;-2.33,-3.47,;-1.56,-4.8,;-6.18,-10.14,;-6.95,-8.8,;-8.49,-8.8,;-9.26,-10.14,;-8.49,-11.47,;-6.95,-11.47,;-10.8,-10.14,;-11.71,-8.89,;-13.17,-9.37,;-13.17,-10.91,;-11.71,-11.38,;-11.31,-12.87,;-9.82,-13.27,;-9.43,-14.76,;-10.51,-15.84,;-12,-15.45,;-12.4,-13.96,;-13.89,-13.56,;-14.98,-12.47,;-15.38,-13.96,;11.53,-8.8,;13.07,-8.8,)|
OC1CCC(F)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@@H]2c2ccccc2C2CC2)CC1 |r,wU:49.55,t:43,(15.38,-7.47,;13.84,-7.47,;13.07,-6.13,;11.53,-6.13,;10.76,-7.47,;9.99,-6.13,;9.22,-7.47,;8.45,-8.8,;6.91,-8.8,;6.14,-10.14,;4.6,-10.14,;3.83,-8.8,;4.6,-7.47,;6.16,-7.42,;6.93,-6.09,;8.47,-6.09,;6.16,-4.75,;2.29,-8.8,;2.29,-7.26,;2.29,-10.34,;.75,-8.8,;-.02,-10.14,;.75,-11.47,;-1.56,-10.14,;-2.33,-11.47,;-3.87,-11.47,;-4.64,-10.14,;-3.87,-8.8,;-2.33,-8.8,;-1.56,-7.47,;-2.33,-6.13,;-3.87,-6.13,;-4.64,-4.8,;-3.87,-3.47,;-4.35,-2,;-3.1,-1.1,;-1.86,-2,;-2.33,-3.47,;-1.56,-4.8,;-6.18,-10.14,;-6.95,-8.8,;-8.49,-8.8,;-9.26,-10.14,;-8.49,-11.47,;-6.95,-11.47,;-10.8,-10.14,;-11.71,-8.89,;-13.17,-9.37,;-13.17,-10.91,;-11.71,-11.38,;-11.31,-12.87,;-9.82,-13.27,;-9.43,-14.76,;-10.51,-15.84,;-12,-15.45,;-12.4,-13.96,;-13.89,-13.56,;-14.98,-12.47,;-15.38,-13.96,;11.53,-8.8,;13.07,-8.8,)|
OC1CCC(F)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wD:49.55,t:43,(15.38,-1.66,;13.84,-1.66,;13.07,-3,;11.53,-3,;10.76,-1.66,;9.67,-2.75,;9.22,-1.66,;8.45,-.33,;6.91,-.33,;6.14,-1.66,;4.6,-1.66,;3.83,-.33,;4.6,1,;6.16,1.05,;6.93,2.38,;8.47,2.38,;6.16,3.72,;2.29,-.33,;2.29,1.21,;2.29,-1.87,;.75,-.33,;-.02,-1.66,;.75,-3,;-1.56,-1.66,;-2.33,-3,;-3.87,-3,;-4.64,-1.66,;-3.87,-.33,;-2.33,-.33,;-1.56,1,;-2.33,2.34,;-3.87,2.34,;-4.64,3.67,;-3.87,5,;-4.35,6.47,;-3.1,7.37,;-1.86,6.47,;-2.33,5,;-1.56,3.67,;-6.18,-1.66,;-6.95,-.33,;-8.49,-.33,;-9.26,-1.66,;-8.49,-3,;-6.95,-3,;-10.8,-1.66,;-11.71,-.42,;-13.17,-.89,;-13.17,-2.43,;-11.71,-2.91,;-11.31,-4.4,;-9.82,-4.8,;-9.43,-6.28,;-10.51,-7.37,;-12,-6.97,;-12.4,-5.49,;-13.89,-5.09,;-14.98,-4,;-15.38,-5.49,;11.53,-.33,;13.07,-.33,)|
OC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wD:48.54,t:42,(15.38,-10.04,;13.84,-10.04,;13.07,-11.37,;11.53,-11.37,;10.76,-10.04,;9.22,-10.04,;8.45,-8.71,;6.91,-8.71,;6.14,-10.04,;4.6,-10.04,;3.83,-8.71,;4.6,-7.37,;6.16,-7.32,;6.93,-5.99,;8.47,-5.99,;6.16,-4.66,;2.29,-8.71,;2.29,-7.17,;2.29,-10.25,;.75,-8.71,;-.02,-10.04,;.75,-11.37,;-1.56,-10.04,;-2.33,-11.37,;-3.87,-11.37,;-4.64,-10.04,;-3.87,-8.71,;-2.33,-8.71,;-1.56,-7.37,;-2.33,-6.04,;-3.87,-6.04,;-4.64,-4.7,;-3.87,-3.37,;-4.35,-1.91,;-3.1,-1,;-1.86,-1.91,;-2.33,-3.37,;-1.56,-4.7,;-6.18,-10.04,;-6.95,-8.71,;-8.49,-8.71,;-9.26,-10.04,;-8.49,-11.37,;-6.95,-11.37,;-10.8,-10.04,;-11.71,-8.79,;-13.17,-9.27,;-13.17,-10.81,;-11.71,-11.28,;-11.31,-12.77,;-9.82,-13.17,;-9.43,-14.66,;-10.51,-15.75,;-12,-15.35,;-12.4,-13.86,;-13.89,-13.46,;-14.98,-12.37,;-15.38,-13.86,;11.53,-8.71,;13.07,-8.71,)|
OC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@@H]2c2ccccc2C2CC2)CC1 |r,wU:48.54,t:42,(15.38,-10.04,;13.84,-10.04,;13.07,-11.37,;11.53,-11.37,;10.76,-10.04,;9.22,-10.04,;8.45,-8.71,;6.91,-8.71,;6.14,-10.04,;4.6,-10.04,;3.83,-8.71,;4.6,-7.37,;6.16,-7.32,;6.93,-5.99,;8.47,-5.99,;6.16,-4.66,;2.29,-8.71,;2.29,-7.17,;2.29,-10.25,;.75,-8.71,;-.02,-10.04,;.75,-11.37,;-1.56,-10.04,;-2.33,-11.37,;-3.87,-11.37,;-4.64,-10.04,;-3.87,-8.71,;-2.33,-8.71,;-1.56,-7.37,;-2.33,-6.04,;-3.87,-6.04,;-4.64,-4.7,;-3.87,-3.37,;-4.35,-1.91,;-3.1,-1,;-1.86,-1.91,;-2.33,-3.37,;-1.56,-4.7,;-6.18,-10.04,;-6.95,-8.71,;-8.49,-8.71,;-9.26,-10.04,;-8.49,-11.37,;-6.95,-11.37,;-10.8,-10.04,;-11.71,-8.79,;-13.17,-9.27,;-13.17,-10.81,;-11.71,-11.28,;-11.31,-12.77,;-9.82,-13.17,;-9.43,-14.66,;-10.51,-15.75,;-12,-15.35,;-12.4,-13.86,;-13.89,-13.46,;-14.98,-12.37,;-15.38,-13.86,;11.53,-8.71,;13.07,-8.71,)|
O[C@H]1CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wU:1.0,wD:48.54,4.4,t:42,(15.38,-10.04,;13.84,-10.04,;13.07,-11.37,;11.53,-11.37,;10.76,-10.04,;9.22,-10.04,;8.45,-8.71,;6.91,-8.71,;6.14,-10.04,;4.6,-10.04,;3.83,-8.71,;4.6,-7.37,;6.16,-7.32,;6.93,-5.99,;8.47,-5.99,;6.16,-4.66,;2.29,-8.71,;2.29,-7.17,;2.29,-10.25,;.75,-8.71,;-.02,-10.04,;.75,-11.37,;-1.56,-10.04,;-2.33,-11.37,;-3.87,-11.37,;-4.64,-10.04,;-3.87,-8.71,;-2.33,-8.71,;-1.56,-7.37,;-2.33,-6.04,;-3.87,-6.04,;-4.64,-4.7,;-3.87,-3.37,;-4.35,-1.91,;-3.1,-1,;-1.86,-1.91,;-2.33,-3.37,;-1.56,-4.7,;-6.18,-10.04,;-6.95,-8.71,;-8.49,-8.71,;-9.26,-10.04,;-8.49,-11.37,;-6.95,-11.37,;-10.8,-10.04,;-11.71,-8.79,;-13.17,-9.27,;-13.17,-10.81,;-11.71,-11.28,;-11.31,-12.77,;-9.82,-13.17,;-9.43,-14.66,;-10.51,-15.75,;-12,-15.35,;-12.4,-13.86,;-13.89,-13.46,;-14.98,-12.37,;-15.38,-13.86,;11.53,-8.71,;13.07,-8.71,)|
O[C@H]1CC[C@@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wU:4.4,1.0,wD:48.54,t:42,(15.38,-10.04,;13.84,-10.04,;13.07,-11.37,;11.53,-11.37,;10.76,-10.04,;9.22,-10.04,;8.45,-8.71,;6.91,-8.71,;6.14,-10.04,;4.6,-10.04,;3.83,-8.71,;4.6,-7.37,;6.16,-7.32,;6.93,-5.99,;8.47,-5.99,;6.16,-4.66,;2.29,-8.71,;2.29,-7.17,;2.29,-10.25,;.75,-8.71,;-.02,-10.04,;.75,-11.37,;-1.56,-10.04,;-2.33,-11.37,;-3.87,-11.37,;-4.64,-10.04,;-3.87,-8.71,;-2.33,-8.71,;-1.56,-7.37,;-2.33,-6.04,;-3.87,-6.04,;-4.64,-4.7,;-3.87,-3.37,;-4.35,-1.91,;-3.1,-1,;-1.86,-1.91,;-2.33,-3.37,;-1.56,-4.7,;-6.18,-10.04,;-6.95,-8.71,;-8.49,-8.71,;-9.26,-10.04,;-8.49,-11.37,;-6.95,-11.37,;-10.8,-10.04,;-11.71,-8.79,;-13.17,-9.27,;-13.17,-10.81,;-11.71,-11.28,;-11.31,-12.77,;-9.82,-13.17,;-9.43,-14.66,;-10.51,-15.75,;-12,-15.35,;-12.4,-13.86,;-13.89,-13.46,;-14.98,-12.37,;-15.38,-13.86,;11.53,-8.71,;13.07,-8.71,)|
[O-][N+](=O)c1cc(ccc1NC[C@H]1CN(CCO1)C1COC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |r,t:49|
[O-][N+](=O)c1cc(ccc1NC[C@@H]1CN(CCO1)C1COC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |r,t:49|
CS(=O)(=O)N1CCOC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCCC2c2ccccc2C2CC2)C1 |t:46|
[O-][N+](=O)c1cc(ccc1NCC1(F)CCN(CC1)C1COC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CC1)N1CCC[C@H]1c1ccccc1C1CC1 |r,t:50|
CN(C)CC(=O)N1CCC(F)(COc2ncc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCCC2c2ccccc2C2CC2)CC1 |t:46|
OC1CCC(COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC(CC2)N2CCCC2c2cccc(Cl)c2C2CC2)CC1 |t:42,(15.31,-1.29,;13.77,-1.29,;13,-2.62,;11.46,-2.62,;10.69,-1.29,;9.15,-1.29,;8.38,.05,;6.84,.05,;6.07,-1.29,;4.53,-1.29,;3.76,.05,;4.53,1.38,;6.09,1.43,;6.86,2.76,;8.4,2.76,;6.09,4.1,;2.22,.05,;2.22,1.59,;2.22,-1.49,;.68,.05,;-.09,-1.29,;.68,-2.62,;-1.63,-1.29,;-2.4,-2.62,;-3.94,-2.62,;-4.71,-1.29,;-3.94,.05,;-2.4,.05,;-1.63,1.38,;-2.4,2.71,;-3.94,2.71,;-4.71,4.05,;-3.94,5.38,;-4.42,6.85,;-3.17,7.75,;-1.93,6.85,;-2.4,5.38,;-1.63,4.05,;-6.25,-1.29,;-7.02,.05,;-8.56,.05,;-9.33,-1.29,;-8.56,-2.62,;-7.02,-2.62,;-10.87,-1.29,;-11.78,-.04,;-13.24,-.52,;-13.24,-2.06,;-11.78,-2.53,;-11.3,-4,;-9.8,-4.32,;-9.32,-5.78,;-10.35,-6.93,;-11.86,-6.61,;-12.89,-7.75,;-12.33,-5.14,;-13.84,-4.82,;-14.99,-3.79,;-15.31,-5.3,;11.46,.05,;13,.05,)|
[O-][N+](=O)c1cc(ccc1NCC1CN(CCO1)C1COC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1CCC(CC1)N1CCCC1c1ccccc1C1CC1 |(6.09,3.64,;6.86,2.3,;8.4,2.3,;6.09,.97,;4.55,.97,;3.78,-.37,;4.55,-1.7,;6.09,-1.7,;6.86,-.37,;8.4,-.37,;9.17,-1.7,;10.71,-1.7,;11.48,-3.03,;13.02,-3.03,;13.79,-1.7,;13.02,-.37,;11.48,-.37,;13.79,-4.37,;13.39,-5.85,;14.88,-6.25,;15.28,-4.77,;2.24,-.37,;2.24,1.17,;2.24,-1.91,;.7,-.37,;-.07,-1.7,;.7,-3.03,;-1.61,-1.7,;-2.38,-3.03,;-3.92,-3.03,;-4.69,-1.7,;-3.92,-.37,;-2.38,-.37,;-1.61,.97,;-2.38,2.3,;-3.92,2.3,;-4.69,3.64,;-3.92,4.97,;-4.39,6.43,;-3.15,7.34,;-1.9,6.43,;-2.38,4.97,;-1.61,3.64,;-6.23,-1.7,;-7,-.37,;-8.54,-.37,;-9.31,-1.7,;-8.54,-3.03,;-7,-3.03,;-10.85,-1.7,;-11.75,-.45,;-13.22,-.93,;-13.22,-2.47,;-11.75,-2.95,;-11.28,-4.41,;-9.77,-4.73,;-9.3,-6.19,;-10.33,-7.34,;-11.83,-7.02,;-12.31,-5.55,;-13.81,-5.23,;-14.96,-4.2,;-15.28,-5.71,)|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1-n1ncc2nc3[nH]ccc3cc12)C1=CCC(CC1)N1CCCC1c1ccccc1C1CC1 |t:47|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1c1ccccc1N1CCC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCCC1c1ccccc1C1CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CC2CCCC2C1c1ccccc1C1CC1
CN1CCC(=CC1)c1ccccc1[C@@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,c:4|
CN1CCC(=CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,c:4|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1c1ccccc1C1CCOCC1
CN(C)C1CC1c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1c1ccccc1C1CCNCC1
CN1CCC(CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CN1CCC(CC1=O)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
OCCN1CCC(CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CN(C)C(=O)CN1CCC(CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CN(CCN1CCC(CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1)C(C)=O |r|
CNCCC(=O)N1CCC(CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@@H]1c1ccccc1C1=CCN(CC1)C1CC1 |r,t:64|
CC(=O)N1CCC(=CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,c:6|
CC(=O)N1CCC(CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CN1CCC(Cc2ccccc2[C@H]2CCCN2c2ccc(cc2)-c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CC1 |r|
CN1CCC(CC1)Oc1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
CN1CCN(Cc2ccccc2[C@H]2CCCN2c2ccc(cc2)-c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CC1 |r|
NC(=O)C1CCC(CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:15.16,(-16.77,-5.42,;-15.74,-4.27,;-16.21,-2.81,;-14.23,-4.59,;-13.2,-3.45,;-11.69,-3.77,;-11.22,-5.23,;-12.25,-6.38,;-13.75,-6.06,;-9.71,-5.55,;-9.24,-7.02,;-7.73,-7.34,;-6.7,-6.19,;-7.17,-4.73,;-8.68,-4.41,;-9.16,-2.95,;-10.62,-2.47,;-10.62,-.93,;-9.16,-.45,;-8.25,-1.7,;-6.66,-1.7,;-5.89,-3.03,;-4.35,-3.03,;-3.58,-1.7,;-4.35,-.37,;-5.89,-.37,;-2.04,-1.7,;-1.27,-3.03,;.27,-3.03,;1.04,-1.7,;2.58,-1.7,;3.35,-3.03,;3.35,-.37,;5.13,-.37,;5.13,1.17,;5.13,-1.91,;6.69,-.37,;7.46,-1.7,;9,-1.7,;9.77,-.37,;11.36,-.37,;12.13,-1.7,;13.69,-1.7,;14.46,-3.03,;16,-3.03,;16.77,-1.7,;16,-.37,;14.46,-.37,;9.02,1.02,;7.46,.97,;9.79,2.35,;11.33,2.35,;9.02,3.68,;.27,-.37,;1.04,.97,;.27,2.3,;-1.27,2.3,;-2.04,3.64,;-1.27,4.97,;-1.74,6.43,;-.5,7.34,;.75,6.43,;.27,4.97,;1.04,3.64,;-1.27,-.37,)|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@@H]1c1ccccc1-c1ccncc1 |r|
CN1CCC[C@H](C1)c1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CN1CCC[C@@H](C1)c1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CN(C)C1CCCN(C1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CN(C)C1CCCN(C1)c1ccccc1[C@@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CN1C2CCC1CN(C2)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1c1ccccc1N1CCNCC1
CN1CCN(CC1)c1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@@H]1c1ccccc1C1CCS(=O)(=O)CC1 |r|
OC1CCN(CC1)c1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
CN(C)C1CCN(CC1)c1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
CN1CCC(C1)c1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
CN(C)CCOc1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
COCc1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
CN(C)CCCc1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
CN1CCC(C1)Oc1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
CN(C1CCN(C)C1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CN(C1CCCN(C)C1)c1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
CN(CC1CCCN1C)c1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
CN1CCC2(CN(C2)c2ccccc2[C@H]2CCCN2c2ccc(cc2)-c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CC1 |r|
CN(C)CC1CCCN1c1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
Cn1cc(cn1)-c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CN1CCC(=CC1)c1ccc(Cl)cc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |c:4|
Cn1cc2cccc(C3CCCN3c3ccc(cc3)-c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c(c4)[N+]([O-])=O)c(Oc4cnc5[nH]ccc5c4)c3)c2n1
CC(C)(C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1)c1ccccc1C1CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1C[C@H](F)C[C@@H]1c1ccccc1C1CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1C[C@H](F)C[C@H]1c1ccccc1C1CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1C[C@@H](F)C[C@@H]1c1ccccc1C1CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CC(F)=CC1c1ccccc1C1CC1 |c:54|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CC(F)(F)C[C@@H]1c1ccccc1C1CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CC(=C)CC1c1ccccc1C1CC1
CN1CCN(C(C1)c1ccccc1C1CC1)c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(CCN2CCC[C@@H]2c2ccccc2C2CC2)cc1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(CCN2CCC[C@H]2c2ccccc2C2CC2)cc1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCC(CN2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,t:44|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC(CC1)C1CC(C1)N1CCC[C@H]1c1ccccc1C1CC1 |r,wD:53.61,(11.1,2.38,;9.56,2.38,;8.79,3.72,;8.79,1.05,;7.22,1,;6.45,-.33,;7.22,-1.66,;8.76,-1.66,;9.53,-.33,;11.07,-.33,;11.84,-1.66,;13.38,-1.66,;14.15,-3,;15.69,-3,;16.46,-1.66,;15.69,-.33,;14.15,-.33,;4.91,-.33,;4.91,1.21,;4.91,-1.87,;3.37,-.33,;2.6,-1.66,;3.37,-3,;1.06,-1.66,;.29,-3,;-1.25,-3,;-2.02,-1.66,;-1.25,-.33,;.29,-.33,;1.06,1,;.29,2.34,;-1.25,2.34,;-2.02,3.67,;-1.25,5,;-1.72,6.47,;-.48,7.37,;.77,6.47,;.29,5,;1.06,3.67,;-3.56,-1.66,;-4.33,-.33,;-5.87,-.33,;-6.64,-1.66,;-5.87,-3,;-4.33,-3,;-8.18,-1.66,;-9.26,-.58,;-10.35,-1.66,;-9.26,-2.75,;-11.89,-1.66,;-12.8,-.42,;-14.26,-.89,;-14.26,-2.43,;-12.8,-2.91,;-12.4,-4.4,;-10.91,-4.8,;-10.51,-6.28,;-11.6,-7.37,;-13.09,-6.97,;-13.49,-5.49,;-14.98,-5.09,;-16.07,-4,;-16.46,-5.49,)|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1cnn(c1)C1CC(C1)N1CCC[C@H]1c1ccccc1C1CC1 |r,wD:52.60,(9.18,1.22,;9.58,-.27,;11.07,-.67,;8.49,-1.36,;6.96,-1,;5.88,-2.09,;6.27,-3.57,;7.76,-3.97,;8.85,-2.88,;10.34,-3.28,;10.74,-4.77,;12.22,-5.17,;12.62,-6.66,;14.11,-7.06,;15.2,-5.97,;14.8,-4.48,;13.31,-4.08,;4.39,-1.69,;4.79,-.2,;3.99,-3.18,;2.9,-1.29,;1.81,-2.38,;2.21,-3.87,;.32,-1.98,;-.76,-3.07,;-2.25,-2.67,;-2.65,-1.18,;-1.56,-.09,;-.07,-.49,;1.01,.6,;.62,2.08,;-.87,2.48,;-1.27,3.97,;-.18,5.06,;-.26,6.6,;1.18,7.15,;2.14,5.95,;1.31,4.66,;1.7,3.17,;-4.14,-.78,;-4.48,.72,;-6.02,.85,;-6.62,-.57,;-5.46,-1.58,;-8.12,-.91,;-9.43,-.09,;-10.24,-1.4,;-8.94,-2.22,;-11.74,-1.74,;-12.91,-.73,;-14.23,-1.52,;-13.88,-3.02,;-12.35,-3.16,;-11.56,-4.48,;-10.02,-4.48,;-9.25,-5.81,;-10.02,-7.15,;-11.56,-7.15,;-12.33,-5.81,;-13.87,-5.81,;-15.2,-5.04,;-15.2,-6.58,)|
c1ccc(c(c1)[C@@H]2CCCN2C3CC4(C3)CCN(CC4)c5ccc(c(c5)Oc6cc7cc[nH]c7nc6)C(=O)NS(=O)(=O)c8ccc(c(c8)[N+](=O)[O-])NCC9CCOCC9)C1CC1
[O-][N+](=O)c1cc(ccc1NCC1(F)CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r|
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCC3(CC(C3)N3CCC[C@H]3c3ccccc3C3CC3)CC2)CC1 |r,wU:1.1,wD:5.5,50.56,1.0,(16.29,-2.47,;14.96,-1.7,;15.73,-.37,;14.19,-3.03,;12.65,-3.03,;11.88,-1.7,;10.34,-1.7,;9.57,-.37,;8.03,-.37,;7.26,-1.7,;5.72,-1.7,;4.95,-.37,;5.72,.97,;7.29,1.02,;8.05,2.35,;9.59,2.35,;7.28,3.68,;3.41,-.37,;3.41,1.17,;3.41,-1.91,;1.87,-.37,;1.1,-1.7,;1.87,-3.03,;-.44,-1.7,;-1.21,-3.03,;-2.75,-3.03,;-3.52,-1.7,;-2.75,-.37,;-1.21,-.37,;-.44,.97,;-1.21,2.3,;-2.75,2.3,;-3.52,3.64,;-2.75,4.97,;-3.23,6.43,;-1.98,7.34,;-.74,6.43,;-1.21,4.97,;-.44,3.64,;-5.06,-1.7,;-5.83,-3.03,;-7.37,-3.03,;-8.14,-1.7,;-9.23,-.61,;-10.32,-1.7,;-9.23,-2.79,;-11.86,-1.7,;-12.77,-.45,;-14.23,-.93,;-14.23,-2.47,;-12.77,-2.95,;-12.29,-4.41,;-10.78,-4.73,;-10.31,-6.19,;-11.34,-7.34,;-12.84,-7.02,;-13.32,-5.55,;-14.83,-5.23,;-15.97,-4.2,;-16.29,-5.71,;-7.37,-.37,;-5.83,-.37,;12.65,-.37,;14.19,-.37,)|
CCc1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CCc1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3(F)CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CCc1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:38.41,41.45,wD:8.8,41.46,(-16.08,-3.62,;-15.05,-2.48,;-13.55,-2.8,;-13.07,-4.26,;-11.56,-4.58,;-10.53,-3.44,;-11.01,-1.97,;-12.52,-1.65,;-12.99,-.19,;-14.46,.29,;-14.46,1.83,;-12.99,2.3,;-12.09,1.06,;-10.55,1.06,;-9.46,-.03,;-8.37,1.06,;-9.46,2.15,;-7.6,2.39,;-6.06,2.39,;-5.29,1.06,;-6.06,-.27,;-7.6,-.27,;-3.75,1.06,;-2.98,2.39,;-1.44,2.39,;-.67,1.06,;.87,1.06,;1.64,2.39,;1.64,-.27,;3.18,-.27,;3.18,1.27,;3.18,-1.81,;4.72,-.27,;5.49,1.06,;7.03,1.06,;7.8,-.27,;9.34,-.27,;10.11,1.06,;11.65,1.06,;12.42,2.39,;13.96,2.39,;14.73,1.06,;16.09,.34,;16.09,1.78,;13.96,-.27,;12.42,-.27,;7.03,-1.61,;5.49,-1.61,;7.8,-2.94,;7.03,-4.28,;9.34,-2.94,;-1.44,-.27,;-.67,-1.61,;-1.44,-2.94,;-2.98,-2.94,;-3.75,-4.28,;-2.98,-5.61,;-3.45,-7.07,;-2.21,-7.98,;-.96,-7.07,;-1.44,-5.61,;-.67,-4.28,;-2.98,-.27,)|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCC[C@@H]2c2ccccc2C2CC2)CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1(F)CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCC[C@@H]2c2ccccc2C2CC2)CC1 |r|
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCC3(CC(C3)N3CCC[C@@H]3c3ccccc3C3CC3)CC2)CC1 |r,wU:5.5,50.56,1.0,wD:1.1,(16.43,.22,;15.07,.94,;16.43,1.67,;14.3,2.28,;12.76,2.28,;11.99,.94,;10.45,.94,;9.68,-.39,;8.14,-.39,;7.37,.94,;5.83,.94,;5.06,-.39,;5.83,-1.72,;7.37,-1.72,;8.14,-3.06,;7.37,-4.39,;9.68,-3.06,;3.52,-.39,;3.52,1.15,;3.52,-1.93,;1.98,-.39,;1.21,.94,;1.98,2.28,;-.33,.94,;-1.1,2.28,;-2.64,2.28,;-3.41,.94,;-2.64,-.39,;-1.1,-.39,;-.33,-1.72,;-1.1,-3.06,;-.33,-4.39,;-1.1,-5.73,;-2.64,-5.73,;-3.67,-6.87,;-5.07,-6.24,;-4.91,-4.71,;-3.41,-4.39,;-2.64,-3.06,;-4.95,.94,;-5.72,2.28,;-7.26,2.28,;-8.03,.94,;-9.11,-.15,;-10.2,.94,;-9.11,2.03,;-11.74,.94,;-12.65,2.19,;-14.11,1.71,;-14.11,.17,;-12.65,-.3,;-12.17,-1.77,;-10.67,-2.09,;-10.19,-3.55,;-11.22,-4.7,;-12.73,-4.38,;-13.2,-2.91,;-14.71,-2.59,;-16.17,-3.07,;-15.85,-1.56,;-7.26,-.39,;-5.72,-.39,;12.76,-.39,;14.3,-.39,)|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CC2(CC(C2)N2CCC[C@H]2c2ccccc2C2CC2)C1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CC2(CC(C2)N2CCC[C@@H]2c2ccccc2C2CC2)C1 |r|
[O-][N+](=O)c1cc(ccc1NC[C@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r|
[O-][N+](=O)c1cc(ccc1NC[C@@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC[C@H](C2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC[C@H](C2)N2CCC[C@@H]2c2ccccc2C2CC2)CC1 |r|
CCc1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3COCCO3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CCc1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@@H]3COCCO3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
COc1ccc(cc1F)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCC[C@@H](N)C1
CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3COCCO3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3(F)CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@@H]3COCCO3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:42.46,wD:9.9,39.42,42.47,(-16.16,-6.18,;-15.07,-5.09,;-15.47,-3.6,;-13.59,-5.49,;-13.19,-6.97,;-11.7,-7.37,;-10.61,-6.28,;-11.01,-4.8,;-12.5,-4.4,;-12.89,-2.91,;-14.36,-2.43,;-14.36,-.89,;-12.89,-.42,;-11.99,-1.66,;-10.45,-1.66,;-9.36,-2.75,;-8.27,-1.66,;-9.36,-.58,;-7.5,-3,;-5.96,-3,;-5.19,-1.66,;-5.96,-.33,;-7.5,-.33,;-3.65,-1.66,;-2.88,-3,;-1.34,-3,;-.57,-1.66,;.97,-1.66,;1.74,-3,;1.74,-.33,;3.28,-.33,;3.28,1.21,;3.28,-1.87,;4.82,-.33,;5.59,-1.66,;7.13,-1.66,;7.9,-.33,;9.44,-.33,;10.21,-1.66,;11.75,-1.66,;12.52,-3,;14.06,-3,;14.83,-1.66,;16.16,-.89,;16.16,-2.43,;14.06,-.33,;12.52,-.33,;7.15,1.1,;5.59,1,;7.9,2.44,;7.12,3.77,;9.44,2.46,;-1.34,-.33,;-.57,1,;-1.34,2.34,;-2.88,2.34,;-3.65,3.67,;-2.88,5,;-3.36,6.47,;-2.11,7.37,;-.87,6.47,;-1.34,5,;-.57,3.67,;-2.88,-.33,)|
CC(C)c1ccccc1[C@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:9.9,42.47,wD:39.42,42.46,(-16.36,-5.49,;-14.87,-5.09,;-15.96,-4,;-13.39,-5.49,;-12.99,-6.97,;-11.5,-7.37,;-10.41,-6.28,;-10.81,-4.8,;-12.3,-4.4,;-12.7,-2.91,;-14.16,-2.43,;-14.16,-.89,;-12.7,-.42,;-11.79,-1.66,;-10.25,-1.66,;-9.16,-2.75,;-8.07,-1.66,;-9.16,-.58,;-7.3,-3,;-5.76,-3,;-4.99,-1.66,;-5.76,-.33,;-7.3,-.33,;-3.45,-1.66,;-2.68,-3,;-1.14,-3,;-.37,-1.66,;1.17,-1.66,;1.94,-3,;1.94,-.33,;3.48,-.33,;3.48,1.21,;3.48,-1.87,;5.02,-.33,;5.79,-1.66,;7.33,-1.66,;8.1,-.33,;9.64,-.33,;10.41,-1.66,;11.95,-1.66,;12.72,-3,;14.26,-3,;15.03,-1.66,;16.36,-2.43,;16.12,-.58,;14.26,-.33,;12.72,-.33,;7.34,1.1,;5.79,1,;8.1,2.44,;7.31,3.77,;9.64,2.46,;-1.14,-.33,;-.37,1,;-1.14,2.34,;-2.68,2.34,;-3.45,3.67,;-2.68,5,;-3.16,6.47,;-1.91,7.37,;-.67,6.47,;-1.14,5,;-.37,3.67,;-2.68,-.33,)|
CC(C)c1ccccc1[C@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:9.9,42.46,wD:39.42,42.47,(-16.36,-5.49,;-14.87,-5.09,;-15.96,-4,;-13.39,-5.49,;-12.99,-6.97,;-11.5,-7.37,;-10.41,-6.28,;-10.81,-4.8,;-12.3,-4.4,;-12.7,-2.91,;-14.16,-2.43,;-14.16,-.89,;-12.7,-.42,;-11.79,-1.66,;-10.25,-1.66,;-9.16,-2.75,;-8.07,-1.66,;-9.16,-.58,;-7.3,-3,;-5.76,-3,;-4.99,-1.66,;-5.76,-.33,;-7.3,-.33,;-3.45,-1.66,;-2.68,-3,;-1.14,-3,;-.37,-1.66,;1.17,-1.66,;1.94,-3,;1.94,-.33,;3.48,-.33,;3.48,1.21,;3.48,-1.87,;5.02,-.33,;5.79,-1.66,;7.33,-1.66,;8.1,-.33,;9.64,-.33,;10.41,-1.66,;11.95,-1.66,;12.72,-3,;14.26,-3,;15.03,-1.66,;16.12,-.58,;16.36,-2.43,;14.26,-.33,;12.72,-.33,;7.34,1.1,;5.79,1,;8.1,2.44,;7.31,3.77,;9.64,2.46,;-1.14,-.33,;-.37,1,;-1.14,2.34,;-2.68,2.34,;-3.45,3.67,;-2.68,5,;-3.16,6.47,;-1.91,7.37,;-.67,6.47,;-1.14,5,;-.37,3.67,;-2.68,-.33,)|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCCC2c2ccccc2C2CCC2)CC1
CC(C)Cc1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCCC2c2cccc(c2)C2CC2)CC1
Cc1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCC[C@H]2c2ccccc2Cl)CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCC[C@H]2c2ccccc2Br)CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCC[C@@H]2c2ccccc2Cl)CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCC[C@H]2c2cccc(Cl)c2)CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCC[C@H]2c2ccc(Cl)cc2)CC1 |r|
CCOc1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CN(C)c1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CN(C)c1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:42.47,wD:9.9,39.42,42.46,(-16.24,-6.18,;-15.15,-5.09,;-15.55,-3.6,;-13.66,-5.49,;-13.26,-6.97,;-11.78,-7.37,;-10.69,-6.28,;-11.09,-4.8,;-12.57,-4.4,;-12.97,-2.91,;-14.44,-2.43,;-14.44,-.89,;-12.97,-.42,;-12.07,-1.66,;-10.53,-1.66,;-9.44,-2.75,;-8.35,-1.66,;-9.44,-.58,;-7.58,-3,;-6.04,-3,;-5.27,-1.66,;-6.04,-.33,;-7.58,-.33,;-3.73,-1.66,;-2.96,-3,;-1.42,-3,;-.65,-1.66,;.89,-1.66,;1.66,-.33,;1.66,-3,;3.2,-3,;3.2,-1.46,;3.2,-4.54,;4.74,-3,;5.51,-4.33,;7.05,-4.33,;7.82,-3,;9.36,-3,;10.13,-4.33,;11.67,-4.33,;12.44,-5.67,;13.98,-5.67,;14.75,-4.33,;16.08,-5.1,;16.24,-3.93,;13.98,-3,;12.44,-3,;7.07,-1.57,;5.51,-1.66,;7.82,-.23,;7.04,1.1,;9.36,-.21,;-1.42,-.33,;-.65,1,;-1.42,2.34,;-2.96,2.34,;-3.73,3.67,;-2.96,5,;-3.43,6.47,;-2.19,7.37,;-.94,6.47,;-1.42,5,;-.65,3.67,;-2.96,-.33,)|
CN(C)c1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:42.47,wD:9.9,39.42,42.46,(-16.16,-6.18,;-15.07,-5.09,;-15.47,-3.6,;-13.59,-5.49,;-13.19,-6.97,;-11.7,-7.37,;-10.61,-6.28,;-11.01,-4.8,;-12.5,-4.4,;-12.89,-2.91,;-14.36,-2.43,;-14.36,-.89,;-12.89,-.42,;-11.99,-1.66,;-10.45,-1.66,;-9.36,-2.75,;-8.27,-1.66,;-9.36,-.58,;-7.5,-3,;-5.96,-3,;-5.19,-1.66,;-5.96,-.33,;-7.5,-.33,;-3.65,-1.66,;-2.88,-3,;-1.34,-3,;-.57,-1.66,;.97,-1.66,;1.74,-.33,;1.74,-3,;3.28,-3,;3.28,-1.46,;3.28,-4.54,;4.82,-3,;5.59,-4.33,;7.13,-4.33,;7.9,-3,;9.44,-3,;10.21,-4.33,;11.75,-4.33,;12.52,-5.67,;14.06,-5.67,;14.83,-4.33,;16.16,-5.1,;16.16,-3.56,;14.06,-3,;12.52,-3,;7.15,-1.57,;5.59,-1.66,;7.9,-.23,;7.12,1.1,;9.44,-.21,;-1.34,-.33,;-.57,1,;-1.34,2.34,;-2.88,2.34,;-3.65,3.67,;-2.88,5,;-3.36,6.47,;-2.11,7.37,;-.87,6.47,;-1.34,5,;-.57,3.67,;-2.88,-.33,)|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCCC2c2ccccc2N2CCCC2)CC1
COc1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CC(C)Oc1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
COCc1ccccc1C1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
OCc1ccccc1C1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCC[C@@H]2c2cccc(Cl)c2C2CC2)CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCCC2c2cc(Cl)ccc2C2CC2)CC1
CCc1c(Cl)cccc1[C@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CCc1c(Cl)cccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCCC2c2ccc(cc2C2CC2)C2CC2)CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCCC2c2cc(ccc2C2CC2)C2CC2)CC1
CC1CC(N(C1)C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1)c1ccccc1C1CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CC(CC2c2ccccc2C2CC2)C2CC2)CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CC(=CC2c2ccccc2C2CC2)c2ccccc2)CC1 |c:54|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CC3(CC3)CC2c2ccccc2C2CC2)CC1
CC1(C)CC(N(C1)C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1)c1ccccc1C1CC1
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCC3(CC(C3)N3CC(CC3c3ccccc3C3CC3)C(F)(F)F)CC2)CC1 |r,wU:5.5,1.0,wD:1.1,(16.44,.17,;15.08,.89,;16.44,1.62,;14.31,2.23,;12.77,2.23,;12,.89,;10.46,.89,;9.69,-.44,;8.15,-.44,;7.38,.89,;5.84,.89,;5.07,-.44,;5.84,-1.77,;7.38,-1.77,;8.15,-3.11,;9.69,-3.11,;7.38,-4.44,;3.53,-.44,;3.53,1.1,;3.53,-1.98,;1.99,-.44,;1.22,.89,;1.99,2.23,;-.32,.89,;-1.09,2.23,;-2.63,2.23,;-3.4,.89,;-2.63,-.44,;-1.09,-.44,;-.32,-1.77,;-1.09,-3.11,;-.32,-4.44,;-1.09,-5.78,;-2.63,-5.78,;-3.66,-6.92,;-5.07,-6.29,;-4.91,-4.76,;-3.4,-4.44,;-2.63,-3.11,;-4.94,.89,;-5.71,2.23,;-7.25,2.23,;-8.02,.89,;-9.11,-.2,;-10.2,.89,;-9.11,1.98,;-11.74,.89,;-12.64,2.14,;-14.11,1.66,;-14.11,.12,;-12.64,-.35,;-12.17,-1.82,;-10.66,-2.14,;-10.19,-3.6,;-11.22,-4.75,;-12.72,-4.43,;-13.2,-2.96,;-14.7,-2.64,;-16.17,-3.12,;-15.85,-1.61,;-15.35,2.57,;-15.19,4.1,;-16.76,1.94,;-16.6,3.47,;-7.25,-.44,;-5.71,-.44,;12.77,-.44,;14.31,-.44,)|
CN(C)C1CC(N(C1)C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1)c1ccccc1C1CC1
CN(C)CCOC1CC(N(C1)C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1)c1ccccc1C1CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CC3CCCC3C2c2ccccc2C2CC2)CC1
CC1(C)CCN(C2CC3(C2)CCN(CC3)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)C1c1ccccc1C1CC1
CN1CCN(C2CC3(C2)CCN(CC3)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)C(C1)c1ccccc1C1CC1
CN1CCN(C2CC3(C2)CCN(CC3)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)[C@@H](C1)c1ccccc1C1CC1 |r,wU:33.36,wD:30.31,55.64,33.35,(-16.48,-10.84,;-14.94,-10.84,;-14.17,-9.51,;-12.63,-9.51,;-11.86,-10.84,;-10.32,-10.84,;-9.23,-11.93,;-8.14,-10.84,;-9.23,-9.75,;-7.37,-12.17,;-5.83,-12.17,;-5.06,-10.84,;-5.83,-9.51,;-7.37,-9.51,;-3.52,-10.84,;-2.75,-12.17,;-1.21,-12.17,;-.44,-10.84,;1.1,-10.84,;1.87,-12.17,;1.87,-9.51,;3.59,-9.51,;3.59,-7.97,;3.59,-11.05,;5.13,-9.51,;5.9,-10.84,;7.44,-10.84,;8.21,-9.51,;9.75,-9.51,;10.52,-10.84,;12.06,-10.84,;12.83,-12.17,;14.37,-12.17,;15.14,-10.84,;16.48,-11.61,;16.48,-10.07,;14.37,-9.51,;12.83,-9.51,;7.47,-8.12,;5.9,-8.17,;8.24,-6.79,;9.78,-6.79,;7.47,-5.46,;-1.21,-9.51,;-.44,-8.17,;-1.21,-6.84,;-2.75,-6.84,;-3.52,-5.5,;-2.75,-4.17,;-3.22,-2.71,;-1.98,-1.8,;-.73,-2.71,;-1.21,-4.17,;-.44,-5.5,;-2.75,-9.51,;-12.63,-12.17,;-14.17,-12.17,;-11.86,-13.51,;-10.32,-13.51,;-9.55,-14.84,;-10.32,-16.17,;-11.86,-16.17,;-12.63,-14.84,;-14.17,-14.84,;-15.5,-14.07,;-15.5,-15.61,)|
CN1CCN(C2CC3(C2)CCN(CC3)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)[C@H](C1)c1ccccc1C1CC1 |r,wU:55.64,33.36,wD:30.31,33.35,(-16.48,-10.84,;-14.94,-10.84,;-14.17,-9.51,;-12.63,-9.51,;-11.86,-10.84,;-10.32,-10.84,;-9.23,-11.93,;-8.14,-10.84,;-9.23,-9.75,;-7.37,-12.17,;-5.83,-12.17,;-5.06,-10.84,;-5.83,-9.51,;-7.37,-9.51,;-3.52,-10.84,;-2.75,-12.17,;-1.21,-12.17,;-.44,-10.84,;1.1,-10.84,;1.87,-12.17,;1.87,-9.51,;3.59,-9.51,;3.59,-7.97,;3.59,-11.05,;5.13,-9.51,;5.9,-10.84,;7.44,-10.84,;8.21,-9.51,;9.75,-9.51,;10.52,-10.84,;12.06,-10.84,;12.83,-12.17,;14.37,-12.17,;15.14,-10.84,;16.48,-11.61,;16.48,-10.07,;14.37,-9.51,;12.83,-9.51,;7.47,-8.12,;5.9,-8.17,;8.24,-6.79,;9.78,-6.79,;7.47,-5.46,;-1.21,-9.51,;-.44,-8.17,;-1.21,-6.84,;-2.75,-6.84,;-3.52,-5.5,;-2.75,-4.17,;-3.22,-2.71,;-1.98,-1.8,;-.73,-2.71,;-1.21,-4.17,;-.44,-5.5,;-2.75,-9.51,;-12.63,-12.17,;-14.17,-12.17,;-11.86,-13.51,;-10.32,-13.51,;-9.55,-14.84,;-10.32,-16.17,;-11.86,-16.17,;-12.63,-14.84,;-14.17,-14.84,;-15.5,-14.07,;-15.5,-15.61,)|
CC(C)N1CCN(C2CC3(C2)CCN(CC3)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)C(C1)c1ccccc1C1CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)c2ccccc2-c2ccccc2C2CC2)CC1
Cc1ccccc1C1CCCCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCCCCC2c2ccccc2C2CC2)CC1
CS(C)(=O)=NC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCC3(CC(C3)N3CCC[C@H]3c3ccccc3C3CC3)CC2)CC1 |r,wD:53.59,(17.54,-1.14,;16.2,-.37,;16.97,.97,;14.87,.4,;15.43,-1.7,;13.89,-1.7,;13.12,-3.03,;11.58,-3.03,;10.81,-1.7,;9.27,-1.7,;8.5,-.37,;6.96,-.37,;6.19,-1.7,;4.65,-1.7,;3.88,-.37,;4.65,.97,;6.22,1.02,;6.99,2.35,;8.53,2.35,;6.22,3.68,;2.34,-.37,;2.34,1.17,;2.34,-1.91,;.62,-.37,;-.15,-1.7,;.62,-3.03,;-1.69,-1.7,;-2.46,-3.03,;-4,-3.03,;-4.77,-1.7,;-4,-.37,;-2.46,-.37,;-1.69,.97,;-2.46,2.3,;-4,2.3,;-4.77,3.64,;-4,4.97,;-4.47,6.43,;-3.23,7.34,;-1.98,6.43,;-2.46,4.97,;-1.69,3.64,;-6.31,-1.7,;-7.08,-3.03,;-8.62,-3.03,;-9.39,-1.7,;-10.48,-2.79,;-11.57,-1.7,;-10.48,-.61,;-13.11,-1.7,;-14.01,-.45,;-15.48,-.93,;-15.48,-2.47,;-14.01,-2.95,;-13.54,-4.41,;-12.03,-4.73,;-11.55,-6.19,;-12.58,-7.34,;-14.09,-7.02,;-14.57,-5.55,;-16.07,-5.23,;-17.22,-4.2,;-17.54,-5.71,;-8.62,-.37,;-7.08,-.37,;11.58,-.37,;13.12,-.37,)|
CS(=O)(=NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCC[C@H]2c2ccccc2C2CC2)CC1)c1ccc(NCC2CCOCC2)c(c1)[N+]([O-])=O |r|
CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3C4COCC34)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
OC1(CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCC3(CC(C3)N3CCC[C@H]3c3ccccc3C3CC3)CC2)CC1)C(F)(F)F |r,wD:49.55,(15.62,-1.71,;14.26,-.99,;13.49,.35,;11.95,.35,;11.18,-.99,;9.64,-.99,;8.87,-2.32,;7.33,-2.32,;6.56,-.99,;5.02,-.99,;4.25,-2.32,;5.02,-3.65,;6.56,-3.65,;7.33,-4.99,;8.87,-4.99,;6.56,-6.32,;2.71,-2.32,;2.71,-.78,;2.71,-3.86,;1.17,-2.32,;.4,-.99,;1.17,.35,;-1.14,-.99,;-1.91,-2.32,;-3.45,-2.32,;-4.22,-.99,;-3.45,.35,;-1.91,.35,;-1.14,1.68,;-1.91,3.01,;-3.45,3.01,;-4.22,4.35,;-3.45,5.68,;-3.92,7.15,;-2.68,8.05,;-1.43,7.15,;-1.91,5.68,;-1.14,4.35,;-5.76,-.99,;-6.53,.35,;-8.07,.35,;-8.84,-.99,;-9.93,.1,;-11.02,-.99,;-9.93,-2.08,;-12.56,-.99,;-13.46,.26,;-14.93,-.22,;-14.93,-1.76,;-13.46,-2.23,;-12.99,-3.7,;-11.48,-4.02,;-11,-5.48,;-12.03,-6.63,;-13.54,-6.31,;-14.02,-4.84,;-15.52,-4.52,;-16.99,-5,;-16.67,-3.49,;-8.07,-2.32,;-6.53,-2.32,;11.95,-2.32,;13.49,-2.32,;15.62,-.26,;16.98,.46,;16.34,-1.62,;14.9,1.1,)|
CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](O)(CC3)C(F)(F)F)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:9.9,39.42,42.50,wD:42.46,(-5.07,-8.39,;-3.92,-7.35,;-2.46,-7.83,;-4.24,-5.85,;-5.71,-5.37,;-6.03,-3.87,;-4.88,-2.84,;-3.42,-3.31,;-3.1,-4.82,;-1.63,-5.29,;-1.16,-6.76,;.38,-6.76,;.86,-5.29,;-.39,-4.39,;-.39,-2.85,;-1.47,-1.76,;-.39,-.67,;.7,-1.76,;-1.72,.1,;-1.72,1.64,;-.39,2.41,;.95,1.64,;.95,.1,;-.39,3.95,;.95,4.72,;.95,6.26,;-.39,7.03,;-.39,8.57,;-1.72,9.34,;.95,9.34,;.95,10.88,;2.49,10.88,;-.59,10.88,;.95,12.42,;2.28,13.19,;2.28,14.73,;.95,15.5,;.95,17.04,;2.28,17.81,;2.28,19.35,;.95,20.12,;.95,21.66,;2.28,22.43,;1.56,23.79,;3.62,21.66,;3.62,20.12,;3,23.79,;3.73,25.15,;4.36,23.07,;1.64,24.51,;-.39,14.73,;-.39,13.19,;-1.72,15.5,;-3.05,14.73,;-1.72,17.04,;-1.72,6.26,;-3.05,7.03,;-4.39,6.26,;-4.39,4.72,;-5.72,3.95,;-7.05,4.72,;-8.52,4.24,;-9.42,5.49,;-8.52,6.73,;-7.05,6.26,;-5.72,7.03,;-1.72,4.72,)|
CC(C)c1ccccc1[C@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](O)(CC3)C(F)(F)F)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:39.42,42.50,wD:9.9,42.46,(-5.07,-8.39,;-3.92,-7.35,;-2.46,-7.83,;-4.24,-5.85,;-5.71,-5.37,;-6.03,-3.87,;-4.88,-2.84,;-3.42,-3.31,;-3.1,-4.82,;-1.63,-5.29,;-1.16,-6.76,;.38,-6.76,;.86,-5.29,;-.39,-4.39,;-.39,-2.85,;-1.47,-1.76,;-.39,-.67,;.7,-1.76,;-1.72,.1,;-1.72,1.64,;-.39,2.41,;.95,1.64,;.95,.1,;-.39,3.95,;.95,4.72,;.95,6.26,;-.39,7.03,;-.39,8.57,;-1.72,9.34,;.95,9.34,;.95,10.88,;2.49,10.88,;-.59,10.88,;.95,12.42,;2.28,13.19,;2.28,14.73,;.95,15.5,;.95,17.04,;2.28,17.81,;2.28,19.35,;.95,20.12,;.95,21.66,;2.28,22.43,;1.56,23.79,;3.62,21.66,;3.62,20.12,;3,23.79,;3.73,25.15,;4.36,23.07,;1.64,24.51,;-.39,14.73,;-.39,13.19,;-1.72,15.5,;-3.05,14.73,;-1.72,17.04,;-1.72,6.26,;-3.05,7.03,;-4.39,6.26,;-4.39,4.72,;-5.72,3.95,;-7.05,4.72,;-8.52,4.24,;-9.42,5.49,;-8.52,6.73,;-7.05,6.26,;-5.72,7.03,;-1.72,4.72,)|
CO[C@@]1(C)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCC3(CC(C3)N3CCC[C@H]3c3ccccc3C(C)C)CC2)CC1 |r,wU:2.1,wD:51.57,6.6,2.2,(14.74,.97,;15.51,-.37,;14.74,-1.7,;16.07,-2.47,;13.97,-3.03,;12.43,-3.03,;11.66,-1.7,;10.12,-1.7,;9.35,-.37,;7.81,-.37,;7.04,-1.7,;5.5,-1.7,;4.73,-.37,;5.5,.97,;7.11,1.09,;7.88,2.43,;9.42,2.43,;7.11,3.76,;3.19,-.37,;3.19,1.17,;3.19,-1.91,;1.65,-.37,;.88,-1.7,;1.65,-3.03,;-.66,-1.7,;-1.43,-3.03,;-2.97,-3.03,;-3.74,-1.7,;-2.97,-.37,;-1.43,-.37,;-.66,.97,;-1.43,2.3,;-2.97,2.3,;-3.74,3.64,;-2.97,4.97,;-3.45,6.43,;-2.2,7.34,;-.95,6.43,;-1.43,4.97,;-.66,3.64,;-5.28,-1.7,;-6.05,-3.03,;-7.59,-3.03,;-8.36,-1.7,;-9.45,-2.79,;-10.54,-1.7,;-9.45,-.61,;-12.08,-1.7,;-12.98,-.45,;-14.45,-.93,;-14.45,-2.47,;-12.98,-2.95,;-12.51,-4.41,;-11,-4.73,;-10.52,-6.19,;-11.56,-7.34,;-13.06,-7.02,;-13.54,-5.55,;-15.04,-5.23,;-16.07,-6.38,;-15.52,-3.77,;-7.59,-.37,;-6.05,-.37,;12.43,-.37,;13.97,-.37,)|
CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CCC(C)=CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,c:47|
CC(=C)c1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:42.47,wD:9.9,39.42,42.46,(-15.52,-3.77,;-15.04,-5.23,;-16.07,-6.38,;-13.54,-5.55,;-13.06,-7.02,;-11.56,-7.34,;-10.52,-6.19,;-11,-4.73,;-12.51,-4.41,;-12.98,-2.95,;-14.45,-2.47,;-14.45,-.93,;-12.98,-.45,;-12.08,-1.7,;-10.54,-1.7,;-9.45,-2.79,;-8.36,-1.7,;-9.45,-.61,;-7.59,-3.03,;-6.05,-3.03,;-5.28,-1.7,;-6.05,-.37,;-7.59,-.37,;-3.74,-1.7,;-2.97,-3.03,;-1.43,-3.03,;-.66,-1.7,;.88,-1.7,;1.65,-3.03,;1.65,-.37,;3.19,-.37,;3.19,1.17,;3.19,-1.91,;4.73,-.37,;5.5,-1.7,;7.04,-1.7,;7.81,-.37,;9.35,-.37,;10.12,-1.7,;11.66,-1.7,;12.43,-3.03,;13.97,-3.03,;14.74,-1.7,;16.07,-2.47,;15.83,-.61,;13.97,-.37,;12.43,-.37,;7.11,1.09,;5.5,.97,;7.88,2.43,;9.42,2.43,;7.11,3.76,;-1.43,-.37,;-.66,.97,;-1.43,2.3,;-2.97,2.3,;-3.74,3.64,;-2.97,4.97,;-3.45,6.43,;-2.2,7.34,;-.95,6.43,;-1.43,4.97,;-.66,3.64,;-2.97,-.37,)|
CCCc1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:42.47,wD:9.9,39.42,42.46,(-16.85,-5.92,;-15.36,-6.32,;-14.27,-5.23,;-12.76,-5.55,;-12.29,-7.02,;-10.78,-7.34,;-9.75,-6.19,;-10.23,-4.73,;-11.73,-4.41,;-12.21,-2.95,;-13.67,-2.47,;-13.67,-.93,;-12.21,-.45,;-11.3,-1.7,;-9.76,-1.7,;-8.68,-2.79,;-7.59,-1.7,;-8.68,-.61,;-6.82,-3.03,;-5.28,-3.03,;-4.51,-1.7,;-5.28,-.37,;-6.82,-.37,;-2.97,-1.7,;-2.2,-3.03,;-.66,-3.03,;.11,-1.7,;1.65,-1.7,;2.42,-3.03,;2.42,-.37,;3.96,-.37,;3.96,1.17,;3.96,-1.91,;5.5,-.37,;6.27,-1.7,;7.81,-1.7,;8.58,-.37,;10.12,-.37,;10.89,-1.7,;12.43,-1.7,;13.2,-3.03,;14.74,-3.03,;15.51,-1.7,;16.85,-2.47,;16.6,-.61,;14.74,-.37,;13.2,-.37,;7.89,1.09,;6.27,.97,;8.66,2.43,;10.2,2.43,;7.88,3.76,;-.66,-.37,;.11,.97,;-.66,2.3,;-2.2,2.3,;-2.97,3.64,;-2.2,4.97,;-2.67,6.43,;-1.43,7.34,;-.18,6.43,;-.66,4.97,;.11,3.64,;-2.2,-.37,)|
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CC3(CC(C3)N3CCC[C@H]3c3ccccc3C3CC3)C2)CC1 |r,wU:1.1,wD:49.55,5.5,1.0,(15.84,-2.47,;14.51,-1.7,;15.6,-.61,;13.74,-3.03,;12.2,-3.03,;11.43,-1.7,;9.89,-1.7,;9.12,-.37,;7.58,-.37,;6.81,-1.7,;5.27,-1.7,;4.5,-.37,;5.27,.97,;6.88,1.09,;7.65,2.43,;9.19,2.43,;6.88,3.76,;2.96,-.37,;2.96,1.17,;2.96,-1.91,;1.42,-.37,;.65,-1.7,;1.42,-3.03,;-.89,-1.7,;-1.66,-3.03,;-3.2,-3.03,;-3.97,-1.7,;-3.2,-.37,;-1.66,-.37,;-.89,.97,;-1.66,2.3,;-3.2,2.3,;-3.97,3.64,;-3.2,4.97,;-3.68,6.43,;-2.43,7.34,;-1.19,6.43,;-1.66,4.97,;-.89,3.64,;-5.51,-1.7,;-6.6,-2.79,;-7.69,-1.7,;-8.78,-2.79,;-9.87,-1.7,;-8.78,-.61,;-11.41,-1.7,;-12.31,-.45,;-13.78,-.93,;-13.78,-2.47,;-12.31,-2.95,;-11.84,-4.41,;-10.33,-4.73,;-9.86,-6.19,;-10.89,-7.34,;-12.39,-7.02,;-12.87,-5.55,;-14.38,-5.23,;-15.52,-4.2,;-15.84,-5.71,;-6.6,-.61,;12.2,-.37,;13.74,-.37,)|
[O-][N+](=O)c1cc(ccc1NC[C@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CC2(CC(C2)N2CCC[C@H]2c2ccccc2C2CC2)C1 |r|
[O-][N+](=O)c1cc(ccc1NC[C@@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CC2(CC(C2)N2CCC[C@H]2c2ccccc2C2CC2)C1 |r|
CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(C1)CN(C2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:40.45,wD:9.9,37.40,40.44,(-15.21,-3.9,;-14.44,-5.23,;-15.53,-6.32,;-12.93,-5.55,;-12.46,-7.02,;-10.95,-7.34,;-9.92,-6.19,;-10.4,-4.73,;-11.9,-4.41,;-12.38,-2.95,;-13.84,-2.47,;-13.84,-.93,;-12.38,-.45,;-11.47,-1.7,;-9.93,-1.7,;-8.85,-2.79,;-7.76,-1.7,;-8.85,-.61,;-6.67,-2.79,;-5.58,-1.7,;-6.67,-.61,;-4.04,-1.7,;-3.27,-3.03,;-1.73,-3.03,;-.96,-1.7,;.58,-1.7,;1.35,-3.03,;1.35,-.37,;2.89,-.37,;2.89,1.17,;2.89,-1.91,;4.43,-.37,;5.2,-1.7,;6.74,-1.7,;7.51,-.37,;9.05,-.37,;9.82,-1.7,;11.36,-1.7,;12.13,-3.03,;13.67,-3.03,;14.44,-1.7,;15.53,-2.79,;15.53,-.61,;13.67,-.37,;12.13,-.37,;6.81,1.09,;5.2,.97,;7.58,2.43,;9.12,2.43,;6.81,3.76,;-1.73,-.37,;-.96,.97,;-1.73,2.3,;-3.27,2.3,;-4.04,3.64,;-3.27,4.97,;-3.74,6.43,;-2.5,7.34,;-1.25,6.43,;-1.73,4.97,;-.96,3.64,;-3.27,-.37,)|
CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(C1)CN(C2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3COCCO3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
CCc1ccccc1[C@@H]1CCCN1C1CC2(C1)CN(C2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:39.44,wD:8.8,36.39,39.43,(-15.53,-6.32,;-14.44,-5.23,;-12.93,-5.55,;-12.46,-7.02,;-10.95,-7.34,;-9.92,-6.19,;-10.4,-4.73,;-11.9,-4.41,;-12.38,-2.95,;-13.84,-2.47,;-13.84,-.93,;-12.38,-.45,;-11.47,-1.7,;-9.93,-1.7,;-8.85,-2.79,;-7.76,-1.7,;-8.85,-.61,;-6.67,-2.79,;-5.58,-1.7,;-6.67,-.61,;-4.04,-1.7,;-3.27,-3.03,;-1.73,-3.03,;-.96,-1.7,;.58,-1.7,;1.35,-3.03,;1.35,-.37,;2.89,-.37,;2.89,1.17,;2.89,-1.91,;4.43,-.37,;5.2,-1.7,;6.74,-1.7,;7.51,-.37,;9.05,-.37,;9.82,-1.7,;11.36,-1.7,;12.13,-3.03,;13.67,-3.03,;14.44,-1.7,;15.53,-2.79,;15.53,-.61,;13.67,-.37,;12.13,-.37,;6.81,1.09,;5.2,.97,;7.58,2.43,;9.12,2.43,;6.81,3.76,;-1.73,-.37,;-.96,.97,;-1.73,2.3,;-3.27,2.3,;-4.04,3.64,;-3.27,4.97,;-3.74,6.43,;-2.5,7.34,;-1.25,6.43,;-1.73,4.97,;-.96,3.64,;-3.27,-.37,)|
CCc1ccccc1[C@@H]1CCCN1C1CC2(C1)CN(C2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3COCCO3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CC2(CC(CN3CCCC3c3ccccc3C3CC3)C2)C1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CC2(CN(CC3CCCN3c3ccccc3C3CC3)C2)C1
[O-][N+](=O)c1cc(ccc1NCCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r|
[O-][N+](=O)c1cc(ccc1NCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r|
[O-][N+](=O)c1cc(ccc1NCCN1CCOCC1=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1C2COCC12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r|
CC1CC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCC3(CC(C3)N3CCC[C@H]3c3ccccc3C3CC3)CC2)CC(C)O1 |r|
CC1(C)CC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCC3(CC(C3)N3CCC[C@H]3c3ccccc3C3CC3)CC2)CC(C)(C)O1 |r|
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCC3(CC(C3)N3CCC[C@H]3c3ccccc3C3CC3)C2)CC1 |r,wU:1.1,wD:5.5,50.56,1.0,(16.34,-4.33,;15,-3.56,;15.77,-2.23,;14.23,-4.9,;12.69,-4.9,;11.92,-3.56,;10.38,-3.56,;9.61,-2.23,;8.07,-2.23,;7.3,-3.56,;5.76,-3.56,;4.99,-2.23,;5.76,-.89,;7.33,-.85,;8.1,.49,;9.64,.49,;7.33,1.82,;3.45,-2.23,;3.45,-.69,;3.45,-3.77,;1.91,-2.23,;1.14,-3.56,;1.91,-4.9,;-.4,-3.56,;-1.17,-4.9,;-2.71,-4.9,;-3.48,-3.56,;-2.71,-2.23,;-1.17,-2.23,;-.4,-.89,;-1.17,.44,;-2.71,.44,;-3.48,1.77,;-2.71,3.11,;-3.18,4.57,;-1.94,5.48,;-.69,4.57,;-1.17,3.11,;-.4,1.77,;-5.02,-3.56,;-5.92,-4.81,;-7.39,-4.33,;-7.39,-2.79,;-7.63,-1.27,;-9.15,-1.51,;-8.91,-3.03,;-10.39,-.61,;-10.39,.93,;-11.86,1.41,;-12.76,.16,;-11.86,-1.08,;-12.34,-2.55,;-11.3,-3.69,;-11.78,-5.16,;-13.29,-5.48,;-14.32,-4.33,;-13.84,-2.87,;-14.87,-1.72,;-15.19,-.22,;-16.34,-1.25,;-5.92,-2.32,;12.69,-2.23,;14.23,-2.23,)|
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CC3(C2)CCC(C3)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wU:1.1,wD:5.5,1.0,51.58,(16.54,-3.69,;15.21,-2.92,;15.98,-1.59,;14.44,-4.26,;12.9,-4.26,;12.13,-2.92,;10.59,-2.92,;9.82,-1.59,;8.28,-1.59,;7.51,-2.92,;5.97,-2.92,;5.2,-1.59,;5.97,-.25,;7.54,-.21,;8.31,1.13,;9.85,1.13,;7.54,2.46,;3.66,-1.59,;3.66,-.05,;3.66,-3.13,;2.12,-1.59,;1.35,-2.92,;2.12,-4.26,;-.19,-2.92,;-.96,-4.26,;-2.5,-4.26,;-3.27,-2.92,;-2.5,-1.59,;-.96,-1.59,;-.19,-.25,;-.96,1.08,;-2.5,1.08,;-3.27,2.41,;-2.5,3.75,;-2.97,5.21,;-1.73,6.12,;-.48,5.21,;-.96,3.75,;-.19,2.41,;-4.81,-2.92,;-5.9,-1.83,;-6.99,-2.92,;-5.9,-4.01,;-7.89,-4.17,;-9.36,-3.69,;-9.36,-2.15,;-7.89,-1.68,;-10.6,-1.25,;-10.6,.29,;-12.07,.77,;-12.97,-.48,;-12.07,-1.72,;-12.54,-3.19,;-11.51,-4.33,;-11.99,-5.8,;-13.49,-6.12,;-14.53,-4.97,;-14.05,-3.51,;-15.08,-2.36,;-15.4,-.86,;-16.54,-1.89,;12.9,-1.59,;14.44,-1.59,)|
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCC3(CC[C@H](C3)N3CCC[C@H]3c3ccccc3C3CC3)C2)CC1 |r,wU:1.1,wD:5.5,1.0,45.51,51.57,(16.03,-11.36,;14.7,-10.59,;15.47,-9.26,;13.93,-11.92,;12.39,-11.92,;11.62,-10.59,;10.08,-10.59,;9.31,-9.26,;7.77,-9.26,;7,-10.59,;5.46,-10.59,;4.69,-9.26,;5.46,-7.92,;7.03,-7.88,;7.8,-6.54,;9.34,-6.54,;7.03,-5.21,;3.15,-9.26,;3.15,-7.72,;3.15,-10.8,;1.61,-9.26,;.84,-10.59,;1.61,-11.92,;-.7,-10.59,;-1.47,-11.92,;-3.01,-11.92,;-3.78,-10.59,;-3.01,-9.26,;-1.47,-9.26,;-.7,-7.92,;-1.47,-6.59,;-3.01,-6.59,;-3.78,-5.26,;-3.01,-3.92,;-3.49,-2.46,;-2.24,-1.55,;-1,-2.46,;-1.47,-3.92,;-.7,-5.26,;-5.32,-10.59,;-6.23,-11.84,;-7.69,-11.36,;-7.69,-9.82,;-7.69,-8.28,;-9.16,-7.8,;-10.06,-9.05,;-9.16,-10.3,;-11.6,-9.05,;-12.51,-7.8,;-13.97,-8.28,;-13.97,-9.82,;-12.51,-10.3,;-12.03,-11.76,;-10.52,-12.08,;-10.05,-13.55,;-11.08,-14.69,;-12.59,-14.37,;-13.06,-12.91,;-14.57,-12.59,;-15.71,-11.55,;-16.03,-13.06,;-6.23,-9.34,;12.39,-9.26,;13.93,-9.26,)|
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)C2=CCC3(CC(C3)N3CCC[C@H]3c3ccccc3C3CC3)CC2)CC1 |r,wU:1.1,wD:5.5,1.0,50.56,t:43,(16.29,-2.47,;14.96,-1.7,;16.29,-.93,;14.19,-3.03,;12.65,-3.03,;11.88,-1.7,;10.34,-1.7,;9.57,-.37,;8.03,-.37,;7.26,-1.7,;5.72,-1.7,;4.95,-.37,;5.72,.97,;7.29,1.02,;8.05,2.35,;9.59,2.35,;7.28,3.68,;3.41,-.37,;3.41,1.17,;3.41,-1.91,;1.87,-.37,;1.1,-1.7,;1.87,-3.03,;-.44,-1.7,;-1.21,-3.03,;-2.75,-3.03,;-3.52,-1.7,;-2.75,-.37,;-1.21,-.37,;-.44,.97,;-1.21,2.3,;-2.75,2.3,;-3.52,3.64,;-2.75,4.97,;-3.23,6.43,;-1.98,7.34,;-.74,6.43,;-1.21,4.97,;-.44,3.64,;-5.06,-1.7,;-5.83,-.37,;-7.37,-.37,;-8.14,-1.7,;-9.23,-2.79,;-10.32,-1.7,;-9.23,-.61,;-11.86,-1.7,;-12.77,-.45,;-14.23,-.93,;-14.23,-2.47,;-12.77,-2.95,;-12.29,-4.41,;-10.78,-4.73,;-10.31,-6.19,;-11.34,-7.34,;-12.84,-7.02,;-13.32,-5.55,;-14.83,-5.23,;-15.97,-4.2,;-16.29,-5.71,;-7.37,-3.03,;-5.83,-3.03,;12.65,-.37,;14.19,-.37,)|
Nc1ncc(Oc2cc(ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)N2CCC3(CC(C3)N3CCC[C@H]3c3ccccc3C3CC3)CC2)cc1Cl |r|
CC1(C)CC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCC3(CC(C3)N3CCC[C@H]3c3ccccc3C3CC3)CC2)CCO1 |r|
CN(CC1CCOCC1)C(=O)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCC2(CC(C2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r|
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCC3(CC(C3)N3CCC[C@H]3c3ccccc3)CC2)CC1 |r,wU:1.1,wD:5.5,50.56,1.0,(15.26,-2.47,;13.93,-1.7,;14.7,-.37,;13.16,-3.03,;11.62,-3.03,;10.85,-1.7,;9.31,-1.7,;8.54,-.37,;7,-.37,;6.23,-1.7,;4.69,-1.7,;3.92,-.37,;4.69,.97,;6.25,1.02,;7.02,2.35,;8.56,2.35,;6.25,3.68,;2.38,-.37,;2.38,1.17,;2.38,-1.91,;.84,-.37,;.07,-1.7,;.84,-3.03,;-1.47,-1.7,;-2.24,-3.03,;-3.78,-3.03,;-4.55,-1.7,;-3.78,-.37,;-2.24,-.37,;-1.47,.97,;-2.24,2.3,;-3.78,2.3,;-4.55,3.64,;-3.78,4.97,;-4.26,6.43,;-3.01,7.34,;-1.77,6.43,;-2.24,4.97,;-1.47,3.64,;-6.09,-1.7,;-6.86,-3.03,;-8.4,-3.03,;-9.17,-1.7,;-10.26,-2.79,;-11.35,-1.7,;-10.26,-.61,;-12.89,-1.7,;-13.8,-.45,;-15.26,-.93,;-15.26,-2.47,;-13.8,-2.95,;-13.32,-4.41,;-14.35,-5.55,;-13.87,-7.02,;-12.37,-7.34,;-11.34,-6.19,;-11.81,-4.73,;-8.4,-.37,;-6.86,-.37,;11.62,-.37,;13.16,-.37,)|
CCN1CCN(C2CC3(C2)CCN(CC3)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)C(C1)c1ccccc1C1CC1
OC1COC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCC3(CC(C3)N3CCC[C@H]3c3ccccc3C3CC3)CC2)C1 |r|
CC(C)c1ccccc1[C@@H]1CN(C)CCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:44.49,wD:41.44,9.9,44.48,(-15.41,-14.43,;-14.08,-15.2,;-15.41,-15.97,;-12.54,-15.2,;-11.77,-16.53,;-10.23,-16.53,;-9.46,-15.2,;-10.23,-13.87,;-11.77,-13.87,;-12.54,-12.53,;-14.08,-12.53,;-14.85,-11.2,;-16.39,-11.2,;-14.08,-9.87,;-12.54,-9.87,;-11.77,-11.2,;-10.23,-11.2,;-9.14,-12.29,;-8.05,-11.2,;-9.14,-10.11,;-7.28,-12.53,;-5.74,-12.53,;-4.97,-11.2,;-5.74,-9.87,;-7.28,-9.87,;-3.43,-11.2,;-2.66,-12.53,;-1.12,-12.53,;-.35,-11.2,;1.19,-11.2,;1.96,-12.53,;1.96,-9.87,;3.5,-9.87,;3.5,-8.33,;3.5,-11.41,;5.04,-9.87,;5.81,-11.2,;7.35,-11.2,;8.12,-9.87,;9.66,-9.87,;10.43,-11.2,;11.97,-11.2,;12.74,-12.53,;14.28,-12.53,;15.05,-11.2,;16.39,-11.97,;16.39,-10.43,;14.28,-9.87,;12.74,-9.87,;7.37,-8.44,;5.81,-8.53,;8.12,-7.1,;9.66,-7.08,;7.34,-5.77,;-1.12,-9.87,;-.35,-8.53,;-1.12,-7.2,;-2.66,-7.2,;-3.43,-5.87,;-2.66,-4.53,;-3.13,-3.07,;-1.89,-2.16,;-.64,-3.07,;-1.12,-4.53,;-.35,-5.87,;-2.66,-9.87,)|
CC(C)c1ccccc1[C@H]1CN(C)CCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:9.9,44.49,wD:41.44,44.48,(-15.41,-14.43,;-14.08,-15.2,;-15.41,-15.97,;-12.54,-15.2,;-11.77,-16.53,;-10.23,-16.53,;-9.46,-15.2,;-10.23,-13.87,;-11.77,-13.87,;-12.54,-12.53,;-14.08,-12.53,;-14.85,-11.2,;-16.39,-11.2,;-14.08,-9.87,;-12.54,-9.87,;-11.77,-11.2,;-10.23,-11.2,;-9.14,-12.29,;-8.05,-11.2,;-9.14,-10.11,;-7.28,-12.53,;-5.74,-12.53,;-4.97,-11.2,;-5.74,-9.87,;-7.28,-9.87,;-3.43,-11.2,;-2.66,-12.53,;-1.12,-12.53,;-.35,-11.2,;1.19,-11.2,;1.96,-12.53,;1.96,-9.87,;3.5,-9.87,;3.5,-8.33,;3.5,-11.41,;5.04,-9.87,;5.81,-11.2,;7.35,-11.2,;8.12,-9.87,;9.66,-9.87,;10.43,-11.2,;11.97,-11.2,;12.74,-12.53,;14.28,-12.53,;15.05,-11.2,;16.39,-11.97,;16.39,-10.43,;14.28,-9.87,;12.74,-9.87,;7.37,-8.44,;5.81,-8.53,;8.12,-7.1,;9.66,-7.08,;7.34,-5.77,;-1.12,-9.87,;-.35,-8.53,;-1.12,-7.2,;-2.66,-7.2,;-3.43,-5.87,;-2.66,-4.53,;-3.13,-3.07,;-1.89,-2.16,;-.64,-3.07,;-1.12,-4.53,;-.35,-5.87,;-2.66,-9.87,)|
[O-][N+](=O)c1cc(ccc1OCC1CCC2(COC2)CC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@@H]1c1ccccc1C1CC1 |r|
COC1(C)CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)-c2ccc(cc2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wD:50.56,(15.92,-6.38,;14.38,-6.38,;13.29,-7.47,;14.62,-8.24,;12.52,-6.13,;10.98,-6.13,;10.21,-7.47,;8.67,-7.47,;7.9,-8.8,;6.36,-8.8,;5.59,-10.14,;4.05,-10.14,;3.28,-8.8,;4.05,-7.47,;5.62,-7.42,;6.39,-6.09,;7.93,-6.09,;5.62,-4.75,;1.74,-8.8,;1.74,-7.26,;1.74,-10.34,;.2,-8.8,;-.57,-10.14,;.2,-11.47,;-2.11,-10.14,;-2.88,-11.47,;-4.42,-11.47,;-5.19,-10.14,;-4.42,-8.8,;-2.88,-8.8,;-2.11,-7.47,;-2.88,-6.13,;-4.42,-6.13,;-5.19,-4.8,;-4.42,-3.47,;-4.9,-2,;-3.65,-1.1,;-2.4,-2,;-2.88,-3.47,;-2.11,-4.8,;-6.73,-10.14,;-7.5,-11.47,;-9.04,-11.47,;-9.81,-10.14,;-9.04,-8.8,;-7.5,-8.8,;-11.35,-10.14,;-12.25,-8.89,;-13.72,-9.37,;-13.72,-10.91,;-12.25,-11.38,;-11.86,-12.87,;-10.37,-13.27,;-9.97,-14.76,;-11.06,-15.84,;-12.55,-15.45,;-12.94,-13.96,;-14.43,-13.56,;-15.52,-12.47,;-15.92,-13.96,;10.98,-8.8,;12.52,-8.8,)|
CC1=CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)-c2ccc(cc2)N2CCC[C@@H]2c2ccccc2C2CC2)CC1 |r,t:1|
CN1CCC(=CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:13.14,40.43,43.47,wD:43.48,c:4,(-16.73,-4.27,;-15.22,-4.59,;-14.19,-3.45,;-12.69,-3.77,;-12.21,-5.23,;-13.24,-6.38,;-14.75,-6.06,;-10.7,-5.55,;-10.23,-7.02,;-8.72,-7.34,;-7.69,-6.19,;-8.17,-4.73,;-9.67,-4.41,;-10.15,-2.95,;-11.61,-2.47,;-11.61,-.93,;-10.15,-.45,;-9.24,-1.7,;-7.7,-1.7,;-6.93,-.37,;-5.39,-.37,;-4.62,-1.7,;-5.39,-3.03,;-6.93,-3.03,;-3.08,-1.7,;-2.31,-3.03,;-.77,-3.03,;-0,-1.7,;1.54,-1.7,;2.31,-3.03,;2.31,-.37,;3.85,-.37,;3.85,1.17,;3.85,-1.91,;5.39,-.37,;6.16,-1.7,;7.7,-1.7,;8.47,-.37,;10.01,-.37,;10.78,-1.7,;12.32,-1.7,;13.09,-.37,;14.63,-.37,;15.4,-1.7,;16.73,-.93,;16.73,-2.47,;14.63,-3.03,;13.09,-3.03,;7.72,1.02,;6.16,.97,;8.49,2.35,;10.03,2.35,;7.72,3.68,;-.77,-.37,;-0,.97,;-.77,2.3,;-2.31,2.3,;-3.08,3.64,;-2.31,4.97,;-2.79,6.43,;-1.54,7.34,;-.3,6.43,;-.77,4.97,;-0,3.64,;-2.31,-.37,)|
CN1CCC(=CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3(F)CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,c:4|
CN1CCC(=CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@@H]3COCCO3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,c:4|
CN1CCC(=CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3(F)CCN(CC3)C3COC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,c:4|
CN1CCC(CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:13.14,43.48,wD:40.43,43.47,(-16.73,-4.27,;-15.22,-4.59,;-14.19,-3.45,;-12.69,-3.77,;-12.21,-5.23,;-13.24,-6.38,;-14.75,-6.06,;-10.7,-5.55,;-10.23,-7.02,;-8.72,-7.34,;-7.69,-6.19,;-8.17,-4.73,;-9.67,-4.41,;-10.15,-2.95,;-11.61,-2.47,;-11.61,-.93,;-10.15,-.45,;-9.24,-1.7,;-7.7,-1.7,;-6.93,-.37,;-5.39,-.37,;-4.62,-1.7,;-5.39,-3.03,;-6.93,-3.03,;-3.08,-1.7,;-2.31,-3.03,;-.77,-3.03,;-0,-1.7,;1.54,-1.7,;2.31,-3.03,;2.31,-.37,;3.85,-.37,;3.85,1.17,;3.85,-1.91,;5.39,-.37,;6.16,-1.7,;7.7,-1.7,;8.47,-.37,;10.01,-.37,;10.78,-1.7,;12.32,-1.7,;13.09,-3.03,;14.63,-3.03,;15.4,-1.7,;16.73,-2.47,;16.73,-.93,;14.63,-.37,;13.09,-.37,;7.72,1.02,;6.16,.97,;8.49,2.35,;10.03,2.35,;7.72,3.68,;-.77,-.37,;-0,.97,;-.77,2.3,;-2.31,2.3,;-3.08,3.64,;-2.31,4.97,;-2.79,6.43,;-1.54,7.34,;-.3,6.43,;-.77,4.97,;-0,3.64,;-2.31,-.37,)|
CC(=O)N1CCC(CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:15.16,45.50,wD:42.45,45.49,(-16.79,-2.81,;-16.32,-4.27,;-17.35,-5.42,;-14.81,-4.59,;-13.78,-3.45,;-12.27,-3.77,;-11.8,-5.23,;-12.83,-6.38,;-14.34,-6.06,;-10.29,-5.55,;-9.82,-7.02,;-8.31,-7.34,;-7.28,-6.19,;-7.76,-4.73,;-9.26,-4.41,;-9.74,-2.95,;-11.2,-2.47,;-11.2,-.93,;-9.74,-.45,;-8.83,-1.7,;-7.29,-1.7,;-6.52,-.37,;-4.98,-.37,;-4.21,-1.7,;-4.98,-3.03,;-6.52,-3.03,;-2.67,-1.7,;-1.9,-3.03,;-.36,-3.03,;.41,-1.7,;1.95,-1.7,;2.72,-3.03,;2.72,-.37,;4.26,-.37,;4.26,1.17,;4.26,-1.91,;5.8,-.37,;6.57,-1.7,;8.11,-1.7,;8.88,-.37,;10.42,-.37,;11.19,-1.7,;12.73,-1.7,;13.5,-3.03,;15.04,-3.03,;15.81,-1.7,;17.35,-1.7,;16.58,-.37,;15.04,-.37,;13.5,-.37,;8.14,1.02,;6.57,.97,;8.91,2.35,;10.45,2.35,;8.14,3.68,;-.36,-.37,;.41,.97,;-.36,2.3,;-1.9,2.3,;-2.67,3.64,;-1.9,4.97,;-2.38,6.43,;-1.13,7.34,;.11,6.43,;-.36,4.97,;.41,3.64,;-1.9,-.37,)|
CN(C)CC(=O)N1CCC(CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:18.19,48.53,wD:45.48,48.52,(-17.96,-3.63,;-17.48,-5.1,;-18.51,-6.24,;-15.98,-5.42,;-14.95,-4.27,;-15.42,-2.81,;-13.44,-4.59,;-12.41,-3.45,;-10.9,-3.77,;-10.43,-5.23,;-11.46,-6.38,;-12.96,-6.06,;-8.92,-5.55,;-8.44,-7.02,;-6.94,-7.34,;-5.91,-6.19,;-6.38,-4.73,;-7.89,-4.41,;-8.37,-2.95,;-9.83,-2.47,;-9.83,-.93,;-8.37,-.45,;-7.46,-1.7,;-5.92,-1.7,;-5.15,-.37,;-3.61,-.37,;-2.84,-1.7,;-3.61,-3.03,;-5.15,-3.03,;-1.3,-1.7,;-.53,-3.03,;1.01,-3.03,;1.78,-1.7,;3.32,-1.7,;4.09,-3.03,;4.09,-.37,;5.63,-.37,;5.63,1.17,;5.63,-1.91,;7.17,-.37,;7.94,-1.7,;9.48,-1.7,;10.25,-.37,;11.79,-.37,;12.56,-1.7,;14.1,-1.7,;14.87,-3.03,;16.41,-3.03,;17.18,-1.7,;18.51,-2.47,;18.27,-.61,;16.41,-.37,;14.87,-.37,;9.51,1.02,;7.94,.97,;10.28,2.35,;11.82,2.35,;9.51,3.68,;1.01,-.37,;1.78,.97,;1.01,2.3,;-.53,2.3,;-1.3,3.64,;-.53,4.97,;-1.01,6.43,;.24,7.34,;1.49,6.43,;1.01,4.97,;1.78,3.64,;-.53,-.37,)|
CNCC(=O)N1CCC(CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:17.18,47.52,wD:44.47,47.51,(-17.96,-1.02,;-17.48,-2.49,;-15.98,-2.81,;-15.5,-4.27,;-16.53,-5.42,;-13.99,-4.59,;-12.96,-3.45,;-11.46,-3.77,;-10.98,-5.23,;-12.01,-6.38,;-13.52,-6.06,;-9.48,-5.55,;-9,-7.02,;-7.49,-7.34,;-6.46,-6.19,;-6.94,-4.73,;-8.44,-4.41,;-8.92,-2.95,;-10.39,-2.47,;-10.39,-.93,;-8.92,-.45,;-8.02,-1.7,;-6.48,-1.7,;-5.71,-.37,;-4.17,-.37,;-3.4,-1.7,;-4.17,-3.03,;-5.71,-3.03,;-1.86,-1.7,;-1.09,-3.03,;.45,-3.03,;1.22,-1.7,;2.76,-1.7,;3.53,-3.03,;3.53,-.37,;5.07,-.37,;5.07,1.17,;5.07,-1.91,;6.61,-.37,;7.38,-1.7,;8.92,-1.7,;9.69,-.37,;11.23,-.37,;12,-1.7,;13.54,-1.7,;14.31,-3.03,;15.85,-3.03,;16.62,-1.7,;17.96,-2.47,;17.96,-.93,;15.85,-.37,;14.31,-.37,;8.95,1.02,;7.38,.97,;9.72,2.35,;11.26,2.35,;8.95,3.68,;.45,-.37,;1.22,.97,;.45,2.3,;-1.09,2.3,;-1.86,3.64,;-1.09,4.97,;-1.56,6.43,;-.32,7.34,;.93,6.43,;.45,4.97,;1.22,3.64,;-1.09,-.37,)|
CN(C)CCC(=O)N1CCC(CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:19.20,49.54,wD:46.49,49.53,(-18.71,-.7,;-17.21,-1.02,;-16.17,.12,;-16.73,-2.49,;-15.22,-2.81,;-14.75,-4.27,;-15.78,-5.42,;-13.24,-4.59,;-12.21,-3.45,;-10.7,-3.77,;-10.23,-5.23,;-11.26,-6.38,;-12.77,-6.06,;-8.72,-5.55,;-8.25,-7.02,;-6.74,-7.34,;-5.71,-6.19,;-6.19,-4.73,;-7.69,-4.41,;-8.17,-2.95,;-9.63,-2.47,;-9.63,-.93,;-8.17,-.45,;-7.26,-1.7,;-5.72,-1.7,;-4.95,-3.03,;-3.41,-3.03,;-2.64,-1.7,;-3.41,-.37,;-4.95,-.37,;-1.1,-1.7,;-.33,-3.03,;1.21,-3.03,;1.98,-1.7,;3.52,-1.7,;4.29,-3.03,;4.29,-.37,;5.83,-.37,;5.83,1.17,;5.83,-1.91,;7.37,-.37,;8.14,-1.7,;9.68,-1.7,;10.45,-.37,;11.99,-.37,;12.76,-1.7,;14.3,-1.7,;15.07,-3.03,;16.61,-3.03,;17.38,-1.7,;18.71,-2.47,;18.71,-.93,;16.61,-.37,;15.07,-.37,;9.71,1.02,;8.14,.97,;10.48,2.35,;12.02,2.35,;9.71,3.68,;1.21,-.37,;1.98,.97,;1.21,2.3,;-.33,2.3,;-1.1,3.64,;-.33,4.97,;-.81,6.43,;.44,7.34,;1.68,6.43,;1.21,4.97,;1.98,3.64,;-.33,-.37,)|
CC(C)(N)C(=O)N1CCC(CC1)c1ccccc1[C@H]1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:18.19,48.53,wD:45.48,48.52,(-16.89,-6.91,;-16.49,-5.42,;-15.4,-6.51,;-18,-5.1,;-15.46,-4.27,;-15.94,-2.81,;-13.95,-4.59,;-12.92,-3.45,;-11.42,-3.77,;-10.94,-5.23,;-11.97,-6.38,;-13.48,-6.06,;-9.44,-5.55,;-8.96,-7.02,;-7.45,-7.34,;-6.42,-6.19,;-6.9,-4.73,;-8.41,-4.41,;-8.88,-2.95,;-10.35,-2.47,;-10.35,-.93,;-8.88,-.45,;-7.98,-1.7,;-6.44,-1.7,;-5.67,-3.03,;-4.13,-3.03,;-3.36,-1.7,;-4.13,-.37,;-5.67,-.37,;-1.82,-1.7,;-1.05,-3.03,;.49,-3.03,;1.26,-1.7,;2.8,-1.7,;3.57,-3.03,;3.57,-.37,;5.11,-.37,;5.11,1.17,;5.11,-1.91,;6.65,-.37,;7.42,-1.7,;8.96,-1.7,;9.73,-.37,;11.27,-.37,;12.04,-1.7,;13.58,-1.7,;14.35,-3.03,;15.89,-3.03,;16.66,-1.7,;18,-2.47,;18,-.93,;15.89,-.37,;14.35,-.37,;8.99,1.02,;7.42,.97,;9.76,2.35,;11.3,2.35,;8.99,3.68,;.49,-.37,;1.26,.97,;.49,2.3,;-1.05,2.3,;-1.82,3.64,;-1.05,4.97,;-1.52,6.43,;-.28,7.34,;.97,6.43,;.49,4.97,;1.26,3.64,;-1.05,-.37,)|
CC(=O)N1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)-c2ccc(cc2)N2CCC[C@@H]2c2ccccc2C2CC2)CC1 |r|
CS(=O)(=O)N1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)-c2ccc(cc2)N2CCC[C@@H]2c2ccccc2C2CC2)CC1 |r|
[O-][N+](=O)c1cc(ccc1NCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC[C@@H]1c1ccccc1C1CC1 |r|
CS(C)(=O)=NC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)-c2ccc(cc2)N2CCC[C@@H]2c2ccccc2C2CC2)CC1 |r,wU:52.58,(16.23,-9.84,;15.15,-8.75,;16.23,-7.66,;14.38,-7.42,;14.38,-10.08,;12.84,-10.08,;12.07,-11.42,;10.53,-11.42,;9.76,-10.08,;8.22,-10.08,;7.45,-8.75,;5.91,-8.75,;5.14,-10.08,;3.6,-10.08,;2.83,-8.75,;3.6,-7.42,;5.16,-7.37,;5.93,-6.04,;7.47,-6.04,;5.16,-4.7,;1.29,-8.75,;1.29,-7.21,;1.29,-10.29,;-.25,-8.75,;-1.02,-10.08,;-.25,-11.42,;-2.56,-10.08,;-3.33,-11.42,;-4.87,-11.42,;-5.64,-10.08,;-4.87,-8.75,;-3.33,-8.75,;-2.56,-7.42,;-3.33,-6.08,;-4.87,-6.08,;-5.64,-4.75,;-4.87,-3.42,;-5.35,-1.95,;-4.1,-1.05,;-2.86,-1.95,;-3.33,-3.42,;-2.56,-4.75,;-7.18,-10.08,;-7.95,-11.42,;-9.49,-11.42,;-10.26,-10.08,;-9.49,-8.75,;-7.95,-8.75,;-11.8,-10.08,;-12.71,-8.84,;-14.17,-9.31,;-14.17,-10.85,;-12.71,-11.33,;-12.23,-12.79,;-10.73,-13.12,;-10.25,-14.58,;-11.28,-15.72,;-12.79,-15.4,;-13.26,-13.94,;-14.77,-13.62,;-15.91,-12.59,;-16.23,-14.1,;10.53,-8.75,;12.07,-8.75,)|
CS(C)(=O)=NC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)-c2ccc(cc2)N2CCC[C@H]2c2ccccc2C2CC2)CC1 |r,wD:52.58,(16.23,-9.84,;15.15,-8.75,;16.23,-7.66,;14.38,-7.42,;14.38,-10.08,;12.84,-10.08,;12.07,-11.42,;10.53,-11.42,;9.76,-10.08,;8.22,-10.08,;7.45,-8.75,;5.91,-8.75,;5.14,-10.08,;3.6,-10.08,;2.83,-8.75,;3.6,-7.42,;5.16,-7.37,;5.93,-6.04,;7.47,-6.04,;5.16,-4.7,;1.29,-8.75,;1.29,-7.21,;1.29,-10.29,;-.25,-8.75,;-1.02,-10.08,;-.25,-11.42,;-2.56,-10.08,;-3.33,-11.42,;-4.87,-11.42,;-5.64,-10.08,;-4.87,-8.75,;-3.33,-8.75,;-2.56,-7.42,;-3.33,-6.08,;-4.87,-6.08,;-5.64,-4.75,;-4.87,-3.42,;-5.35,-1.95,;-4.1,-1.05,;-2.86,-1.95,;-3.33,-3.42,;-2.56,-4.75,;-7.18,-10.08,;-7.95,-11.42,;-9.49,-11.42,;-10.26,-10.08,;-9.49,-8.75,;-7.95,-8.75,;-11.8,-10.08,;-12.71,-8.84,;-14.17,-9.31,;-14.17,-10.85,;-12.71,-11.33,;-12.23,-12.79,;-10.73,-13.12,;-10.25,-14.58,;-11.28,-15.72,;-12.79,-15.4,;-13.26,-13.94,;-14.77,-13.62,;-15.91,-12.59,;-16.23,-14.1,;10.53,-8.75,;12.07,-8.75,)|
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)-c2ccc(cc2)N2CC(F)(F)CC2c2ccccc2C2CC2)CC1 |r,wU:1.1,wD:5.5,1.0,(15.2,-.93,;13.87,-1.7,;15.2,-2.47,;13.1,-3.03,;11.56,-3.03,;10.79,-1.7,;9.25,-1.7,;8.48,-.37,;6.94,-.37,;6.17,-1.7,;4.63,-1.7,;3.86,-.37,;4.63,.97,;6.2,1.02,;6.97,2.35,;8.51,2.35,;6.2,3.68,;2.32,-.37,;2.32,1.17,;2.32,-1.91,;.78,-.37,;.01,-1.7,;.78,-3.03,;-1.53,-1.7,;-2.3,-3.03,;-3.84,-3.03,;-4.61,-1.7,;-3.84,-.37,;-2.3,-.37,;-1.53,.97,;-2.3,2.3,;-3.84,2.3,;-4.61,3.64,;-3.84,4.97,;-4.32,6.43,;-3.07,7.34,;-1.83,6.43,;-2.3,4.97,;-1.53,3.64,;-6.15,-1.7,;-6.92,-3.03,;-8.46,-3.03,;-9.23,-1.7,;-8.46,-.37,;-6.92,-.37,;-10.77,-1.7,;-11.68,-.45,;-13.14,-.93,;-14.47,-.16,;-13.14,.61,;-13.14,-2.47,;-11.68,-2.95,;-11.2,-4.41,;-9.69,-4.73,;-9.22,-6.19,;-10.25,-7.34,;-11.76,-7.02,;-12.23,-5.55,;-13.74,-5.23,;-14.88,-4.2,;-15.2,-5.71,;11.56,-.37,;13.1,-.37,)|
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)-c2ccc(cc2)N2CC(CC2c2ccccc2C2CC2)C(F)(F)F)CC1 |r,wU:1.1,wD:5.5,1.0,(15.2,-2.47,;13.87,-1.7,;15.2,-.93,;13.1,-3.03,;11.56,-3.03,;10.79,-1.7,;9.25,-1.7,;8.48,-.37,;6.94,-.37,;6.17,-1.7,;4.63,-1.7,;3.86,-.37,;4.63,.97,;6.2,1.02,;6.97,2.35,;8.51,2.35,;6.2,3.68,;2.32,-.37,;2.32,1.17,;2.32,-1.91,;.78,-.37,;.01,-1.7,;.78,-3.03,;-1.53,-1.7,;-2.3,-3.03,;-3.84,-3.03,;-4.61,-1.7,;-3.84,-.37,;-2.3,-.37,;-1.53,.97,;-2.3,2.3,;-3.84,2.3,;-4.61,3.64,;-3.84,4.97,;-4.32,6.43,;-3.07,7.34,;-1.83,6.43,;-2.3,4.97,;-1.53,3.64,;-6.15,-1.7,;-6.92,-3.03,;-8.46,-3.03,;-9.23,-1.7,;-8.46,-.37,;-6.92,-.37,;-10.77,-1.7,;-11.68,-.45,;-13.14,-.93,;-13.14,-2.47,;-11.68,-2.95,;-11.2,-4.41,;-9.69,-4.73,;-9.22,-6.19,;-10.25,-7.34,;-11.76,-7.02,;-12.23,-5.55,;-13.74,-5.23,;-14.88,-4.2,;-15.2,-5.71,;-14.39,-.02,;-15.79,-.65,;-14.23,1.51,;-14.55,-1.56,;11.56,-.37,;13.1,-.37,)|
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cc(F)cc3[nH]ccc23)-c2ccc(cc2)N2CCC[C@@H]2c2ccccc2C2CC2)CC1 |r,wU:50.56,1.1,wD:5.5,1.0,(15.2,-1.86,;13.87,-1.09,;14.64,.25,;13.1,-2.42,;11.56,-2.42,;10.79,-1.09,;9.25,-1.09,;8.48,.25,;6.94,.25,;6.17,-1.09,;4.63,-1.09,;3.86,.25,;4.63,1.58,;6.2,1.63,;6.97,2.96,;8.51,2.96,;6.2,4.3,;2.32,.25,;2.32,1.79,;2.32,-1.29,;.78,.25,;.01,-1.09,;.78,-2.42,;-1.53,-1.09,;-2.3,-2.42,;-3.84,-2.42,;-4.61,-1.09,;-3.84,.25,;-2.3,.25,;-1.53,1.58,;-2.3,2.91,;-3.84,2.91,;-4.61,4.25,;-6.15,4.25,;-3.84,5.58,;-2.3,5.58,;-1.27,6.73,;.14,6.1,;-.03,4.57,;-1.53,4.25,;-6.15,-1.09,;-6.92,-2.42,;-8.46,-2.42,;-9.23,-1.09,;-8.46,.25,;-6.92,.25,;-10.77,-1.09,;-11.68,.16,;-13.14,-.32,;-13.14,-1.86,;-11.68,-2.33,;-11.2,-3.8,;-9.69,-4.12,;-9.22,-5.58,;-10.25,-6.73,;-11.76,-6.41,;-12.23,-4.94,;-13.74,-4.62,;-14.88,-3.59,;-15.2,-5.1,;11.56,.25,;13.1,.25,)|
CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCC3(CC(=O)C3)CC2)CC1 |r,wU:1.1,wD:5.5,1.0,(14.08,-4.62,;12.74,-3.85,;13.51,-2.52,;11.97,-5.19,;10.43,-5.19,;9.66,-3.85,;8.12,-3.85,;7.35,-2.52,;5.81,-2.52,;5.04,-3.85,;3.5,-3.85,;2.73,-2.52,;3.5,-1.18,;5.06,-1.09,;5.81,.25,;7.35,.27,;5.03,1.58,;1.19,-2.52,;1.19,-.98,;1.19,-4.06,;-.35,-2.52,;-1.12,-3.85,;-.35,-5.19,;-2.66,-3.85,;-3.43,-5.19,;-4.97,-5.19,;-5.74,-3.85,;-4.97,-2.52,;-3.43,-2.52,;-2.66,-1.18,;-3.43,.15,;-4.97,.15,;-5.74,1.48,;-4.97,2.82,;-5.44,4.28,;-4.2,5.19,;-2.95,4.28,;-3.43,2.82,;-2.66,1.48,;-7.28,-3.85,;-8.05,-5.19,;-9.59,-5.19,;-10.36,-3.85,;-11.45,-4.94,;-12.54,-3.85,;-14.08,-3.85,;-11.45,-2.76,;-9.59,-2.52,;-8.05,-2.52,;10.43,-2.52,;11.97,-2.52,)|
CC1(C)CCC(COC2CC3(C2)CN(C3)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:60|
CC(C)c1ccccc1[C@@H]2CCCN2C3CC4(C3)CCN(CC4)c5ccc(c(c5)Oc6cc7cc[nH]c7nc6)C(=O)NS(=O)(=O)c8ccc(c(c8)N(=O)=O)NCC9CCC(CC9)(C)O
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |r,wU:29.29,32.33,wD:32.34,c:59,(4.59,-10.67,;3.05,-10.67,;3.82,-12,;3.05,-9.13,;1.72,-8.36,;.39,-9.13,;-.95,-8.36,;-.95,-6.82,;-2.28,-6.05,;-2.28,-4.51,;-.95,-3.74,;.39,-4.51,;.39,-6.05,;-.95,-2.2,;.39,-1.43,;.39,.11,;-.95,.88,;-.95,2.42,;-2.28,3.19,;.39,3.19,;1.72,2.42,;3.05,1.65,;.95,1.09,;2.49,3.76,;4.03,3.76,;4.8,5.09,;4.03,6.42,;4.8,7.76,;6.34,7.76,;7.11,9.09,;6.34,10.42,;7.11,11.76,;8.65,11.76,;9.98,12.53,;8.65,13.3,;9.42,10.42,;8.65,9.09,;2.46,6.47,;1.72,5.09,;1.69,7.8,;2.46,9.14,;.15,7.8,;-2.28,.11,;-3.61,.88,;-4.95,.11,;-4.95,-1.43,;-6.28,-2.2,;-7.61,-1.43,;-9.08,-1.9,;-9.98,-.66,;-9.08,.59,;-7.61,.11,;-6.28,.88,;-2.28,-1.43,;.39,-10.67,;1.72,-11.44,;-.95,-11.44,;-2.43,-11.04,;-3.02,-12.53,;-1.19,-13.08,;-1.58,-12.54,;-4.39,-13.25,;-4.45,-14.78,;-5.69,-12.42,)|
CC(C)C12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:10|
Oc1ccc(cc1)N(Cc1ccccc1)C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12 |r|
Cc1ccccc1CN(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 |r|
Cc1cccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(O)cc2)c1 |r|
Cc1ccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(O)cc2)cc1 |r|
Oc1ccc(cc1)N(Cc1ccccc1F)C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12 |r|
Oc1ccc(cc1)N(Cc1cccc(F)c1)C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12 |r|
Oc1ccc(cc1)N(Cc1ccc(F)cc1)C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12 |r|
COc1ccccc1CN(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 |r|
Oc1ccc(cc1)N(Cc1ccccc1Cl)C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12 |r|
Oc1ccc(cc1)N(Cc1c(F)cccc1F)C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12 |r|
COc1cccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(O)cc2)c1C |r|
Cc1cccc(Cl)c1CN(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 |r|
Oc1ccc(cc1)N(Cc1ccccc1C(F)(F)F)C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12 |r|
Oc1ccc(cc1)N(Cc1cccc(c1)C(F)(F)F)C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12 |r|
Oc1ccc(cc1)N(Cc1ccc(cc1)C(F)(F)F)C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12 |r|
Oc1ccc(cc1)N(Cc1c(Cl)ccc(F)c1F)C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12 |r|
Oc1ccc(cc1)N(Cc1ccccc1-c1ccccc1)C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12
Oc1ccc(cc1)N(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12 |r|
Oc1ccc(cc1)N(Cc1c(F)cccc1C(F)(F)F)C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12 |r|
Oc1ccc(cc1)N(Cc1cccnc1)C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12 |r|
Oc1ccc(cc1)N(Cc1ccncc1)C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12 |r|
COc1c(C)cnc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(O)cc2)c1C |r|
CCOc1ccc(cc1)-c1nc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(O)cc2)c(C)o1 |r|
OC(=O)c1cccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(OCc3ccccc3)cc2)c1 |r|
COCCNC(=O)c1cccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(O)cc2)c1 |r|
CN(C)CCNC(=O)c1cccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(O)cc2)c1 |r|
CN1CCN(CC1)C(=O)c1cccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(O)cc2)c1 |r|
OC(=O)c1ccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(OCc3ccccc3)cc2)cc1 |r|
COCCNC(=O)c1ccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(O)cc2)cc1 |r|
CN(C)CCNC(=O)c1ccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(O)cc2)cc1 |r|
CN1CCN(CC1)C(=O)c1ccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(O)cc2)cc1 |r|
CS(=O)(=O)NC(=O)c1cccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(OCc3ccccc3)cc2)c1 |r|
OC(=O)c1cccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(O)cc2)c1 |r|
Cn1cnnc1CN(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 |r|
ONc1cccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(O)cc2)c1 |r|
Cc1c(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(O)cc2)cccc1NO |r|
[O-][N+](=O)c1cc(ccc1NC[C@@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |r,t:44,49|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(COC3)CC2)c2ccc(Cl)cc2)CC1 |t:49|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:49|
[O-][N+](=O)c1cccc(c1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:40|
[O-][N+](=O)c1cc(ccc1NC[C@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |r,t:49|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:44,49|
[O-][N+](=O)c1cc(ccc1NC[C@@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |r,t:49|
CNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:42|
CN(C)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:43|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:49|
CC(C)c1nc2cc(cc([N+]([O-])=O)c2[nH]1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:47|
[O-][N+](=O)c1cc(cc2nc([nH]c12)C1CC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:48|
[O-][N+](=O)c1cc(cc2cnn(CC3CCOCC3)c12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:52|
[O-][N+](=O)c1cc(cc2cn(CC3CCOCC3)nc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:52|
[O-][N+](=O)C1=CC(=CC2C1C=NN2CC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |c:5,10,t:3,52|
[O-][N+](=O)c1cc(cc2nn(CC3CCOCC3)cc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:52|
[O-][N+](=O)c1cc(cc2n(ncc12)C1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:51|
[O-][N+](=O)c1cc(cc2nn(cc12)C1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:51|
[O-][N+](=O)c1cc(cc2nc([nH]c12)-c1cccnc1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:51|
CC%10(C)CC(c1ccc(Cl)cc1)=C9CN8CCN(c7ccc(C(=O)NS(=O)(=O)c3ccc(NCC2CCOCC2)c([N+](=O)[O-])c3)c(N6CCCOc5nc4[nH]ccc4cc56)c7)C[C@H]8COCCCO[C@@H]9C%10
CC%10(C)CC(c1ccc(Cl)cc1)=C9CN8CCN(c7ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]2CC[C@](C)(O)CO2)c([N+](=O)[O-])c3)c(N6CCCOc5nc4[nH]ccc4cc56)c7)C[C@H]8COCCCO[C@@H]9C%10
CC%10(C)CC(c1ccc(Cl)cc1)=C9CN8CCN(c7ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]2COCCO2)c([N+](=O)[O-])c3)c(N6CCCOc5nc4[nH]ccc4cc56)c7)C[C@H]8COCCCO[C@@H]9C%10
CC1(C)C[C@H]2OCCCOC[C@@H]3CN(CCN3CC2=C(C1)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2cnc(OCC3(F)CCN(CC3)C3COC3)c(Cl)c2)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,c:20|
CO[C@@H]%10CC[C@@H](CNc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])CC%10
C[C@@H]%10CO[C@@H](CNc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])CO%10
CC1(C)C[C@H]2OCCCOC[C@@H]3CN(CCN3CC2=C(C1)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2cnc(OCC3(F)CCOCC3)c(Cl)c2)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,c:20|
CC%10(C)CC(c1ccc(Cl)cc1)=C9CN8CCN(c7ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@@H]2C[C@](O)(CF)C2)c([N+](=O)[O-])c3)c(N6CCCOc5nc4[nH]ccc4cc56)c7)C[C@H]8COCCCO[C@@H]9C%10
CC1(C)C[C@H]2OCCCOC[C@@H]3CN(CCN3CC2=C(C1)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2ccc(OCC3(F)CCN(CC3)C3COC3)c(Cl)c2)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,c:20|
CC1(C)C[C@H]2OCCCOC[C@@H]3CN(CCN3CC2=C(C1)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2cnc(OC[C@@]3(F)CC[C@@H](CC3)N3CCOCC3)c(Cl)c2)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,wU:11.16,44.47,wD:4.3,48.55,44.48,c:20,(-1.6,-12.45,;-2.93,-11.68,;-2.53,-13.17,;-2.16,-10.35,;-2.93,-9.02,;-2.16,-7.68,;-.62,-8.29,;.86,-7.89,;.86,-6.35,;-.47,-5.58,;-1.8,-6.35,;-3.14,-5.58,;-3.14,-4.04,;-4.47,-3.27,;-5.81,-4.04,;-5.81,-5.58,;-4.47,-6.35,;-5.24,-7.68,;-4.47,-9.02,;-5.24,-10.35,;-4.47,-11.68,;-6.78,-10.35,;-7.55,-9.02,;-9.09,-9.02,;-9.86,-10.35,;-11.4,-10.35,;-9.09,-11.68,;-7.55,-11.68,;-4.47,-1.73,;-3.14,-.96,;-3.14,.58,;-4.47,1.35,;-4.47,2.89,;-5.81,3.66,;-3.14,3.66,;-3.14,5.2,;-3.54,6.69,;-4.63,5.6,;-1.8,5.97,;-.47,5.2,;.86,5.97,;.86,7.51,;2.2,8.28,;3.53,7.51,;4.86,8.28,;4.86,6.74,;4.78,9.82,;6.07,10.66,;7.45,9.96,;7.53,8.42,;6.24,7.58,;8.74,10.8,;10.11,10.1,;11.4,10.94,;11.32,12.47,;9.95,13.17,;8.66,12.33,;-.47,8.28,;-.47,9.82,;-1.8,7.51,;-5.81,.58,;-5.81,-.96,;-7.14,1.35,;-7.13,2.89,;-8.33,3.86,;-9.83,3.52,;-10.51,2.14,;-9.85,.75,;-10.9,-.38,;-10.45,-1.85,;-11.25,-3.17,;-10.24,-4.33,;-8.82,-3.74,;-8.95,-2.2,;-7.9,-1.08,;-8.35,.4,)|
CC1(C)C[C@H]2OCCCOC[C@@H]3CN(CCN3CC2=C(C1)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2cnc(OC[C@]3(F)CC[C@@H](CC3)N3CCOCC3)c(Cl)c2)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,wU:11.16,44.47,48.55,wD:4.3,44.48,c:20,(-1.6,-12.45,;-2.93,-11.68,;-2.53,-13.17,;-2.16,-10.35,;-2.93,-9.02,;-2.16,-7.68,;-.62,-8.29,;.86,-7.89,;.86,-6.35,;-.47,-5.58,;-1.8,-6.35,;-3.14,-5.58,;-3.14,-4.04,;-4.47,-3.27,;-5.81,-4.04,;-5.81,-5.58,;-4.47,-6.35,;-5.24,-7.68,;-4.47,-9.02,;-5.24,-10.35,;-4.47,-11.68,;-6.78,-10.35,;-7.55,-9.02,;-9.09,-9.02,;-9.86,-10.35,;-11.4,-10.35,;-9.09,-11.68,;-7.55,-11.68,;-4.47,-1.73,;-3.14,-.96,;-3.14,.58,;-4.47,1.35,;-4.47,2.89,;-5.81,3.66,;-3.14,3.66,;-3.14,5.2,;-3.54,6.69,;-4.63,5.6,;-1.8,5.97,;-.47,5.2,;.86,5.97,;.86,7.51,;2.2,8.28,;3.53,7.51,;4.86,8.28,;4.86,6.74,;6.24,7.58,;7.53,8.42,;7.45,9.96,;6.07,10.66,;4.78,9.82,;8.74,10.8,;10.11,10.1,;11.4,10.94,;11.32,12.47,;9.95,13.17,;8.66,12.33,;-.47,8.28,;-.47,9.82,;-1.8,7.51,;-5.81,.58,;-5.81,-.96,;-7.14,1.35,;-7.13,2.89,;-8.33,3.86,;-9.83,3.52,;-10.51,2.14,;-9.85,.75,;-10.9,-.38,;-10.45,-1.85,;-11.25,-3.17,;-10.24,-4.33,;-8.82,-3.74,;-8.95,-2.2,;-7.9,-1.08,;-8.35,.4,)|
CC%10(C)CC(c1ccc(Cl)cc1)=C9CN8CCN(c7ccc(C(=O)NS(=O)(=O)c3cnc(NC[C@H]2CC[C@H](O)CO2)c([N+](=O)[O-])c3)c(N6CCCOc5nc4[nH]ccc4cc56)c7)C[C@H]8COCCCO[C@@H]9C%10
CO[C@H]%10CC[C@H](CNc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])OC%10
CC%10(C)CC(c1ccc(Cl)cc1)=C9CN8CCN(c7ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]2CC[C@](O)(CF)CO2)c([N+](=O)[O-])c3)c(N6CCCOc5nc4[nH]ccc4cc56)c7)C[C@H]8COCCCO[C@@H]9C%10
CC%11(C)CC(c1ccc(Cl)cc1)=C%10CN9CCN(c8ccc(C(=O)NS(=O)(=O)c4ccc(NC[C@@H]3C[C@@](O)(C2CCC2)C3)c([N+](=O)[O-])c4)c(N7CCCOc6nc5[nH]ccc5cc67)c8)C[C@H]9COCCCO[C@@H]%10C%11
CC%10(C)CC(c1ccc(Cl)cc1)=C9CN8CCN(c7ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@@H]2C[C@@](O)(CF)C2)c([N+](=O)[O-])c3)c(N6CCCOc5nc4[nH]ccc4cc56)c7)C[C@H]8COCCCO[C@@H]9C%10
CC%10(C)CC(c1ccc(Cl)cc1)=C9CN8CCN(c7ccc(C(=O)NS(=O)(=O)c3ccc(NCC2(O)COC2)c([N+](=O)[O-])c3)c(N6CCCOc5nc4[nH]ccc4cc56)c7)C[C@H]8COCCCO[C@@H]9C%10
CC%10(C)CC(c1ccc(Cl)cc1)=C9CN8CCN(c7ccc(C(=O)NS(=O)(=O)c3ccc(NCC2(O)CCOCC2)c([N+](=O)[O-])c3)c(N6CCCOc5nc4[nH]ccc4cc56)c7)C[C@H]8COCCCO[C@@H]9C%10
CC%11(C)CC(c1ccc(Cl)cc1)=C%10CN9CCN(c8ccc(C(=O)NS(=O)(=O)c4ccc(OCC3(F)CCN(C2COC2)CC3)c([N+](=O)[O-])c4)c(N7CCCOc6nc5[nH]ccc5cc67)c8)C[C@H]9COCCCO[C@@H]%10C%11
C[C@@H]%10CO[C@@H](COc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])CO%10
C[C@@H]%10CC[C@H](CNc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])OC%10
COCCN1CCC(F)(COc2ncc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2N2CCCOc3nc4[nH]ccc4cc23)N2CCN3CC4=C(CC(C)(C)C[C@H]4OCCCOC[C@@H]3C2)c2ccc(Cl)cc2)CC1 |r,t:54|
C[C@H]%10CC[C@H](CNc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])OC%10
CO[C@H]%10C[C@@H](CNc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])C%10
CO[C@@H]%10CC[C@@H](CNc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])OC%10
COC%10(CNc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])CCOCC%10
CC%10(C)CC(c1ccc(Cl)cc1)=C9CN8CCN(c7ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@@H]2CC[C@@H](O)CO2)c([N+](=O)[O-])c3)c(N6CCCOc5nc4[nH]ccc4cc56)c7)C[C@H]8COCCCO[C@@H]9C%10
CC%11(C)CC(c1ccc(Cl)cc1)=C%10CN9CCN(c8ccc(C(=O)NS(=O)(=O)c4ccc(NC[C@@H]3CC[C@@H](N2CCOCC2)CC3)c([N+](=O)[O-])c4)c(N7CCCOc6nc5[nH]ccc5cc67)c8)C[C@H]9COCCCO[C@@H]%10C%11
COC%10CO[C@H](CNc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])C%10
CO[C@@H]%10C[C@@H](Nc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])C%10
CN%10CCC(Nc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])CC%10
CC%10(C)CC(c1ccc(Cl)cc1)=C9CN8CCN(c7ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@@H]2CC[C@@](C)(O)CC2)c([N+](=O)[O-])c3)c(N6CCCOc5nc4[nH]ccc4cc56)c7)C[C@H]8COCCCO[C@@H]9C%10
CO[C@H]%10CC[C@H](COc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])OC%10
CO[C@H]1CC[C@H](CNc2ccc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2N2CCCOc3nc4[nH]ccc4cc23)N2CCN3CC4=C(CC(C)(C)C[C@H]4OCCCOC[C@@H]3C2)c2ccc(Cl)cc2)OC1 |r,t:51|
COCCO[C@H]%10CC[C@H](CNc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])OC%10
CC%10(C)CC(c1ccc(Cl)cc1)=C9CN8CCN(c7ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@@H]2CC[C@](C)(O)CC2)c([N+](=O)[O-])c3)c(N6CCCOc5nc4[nH]ccc4cc56)c7)C[C@H]8COCCCO[C@@H]9C%10
CC%11(C)CC(c1ccc(Cl)cc1)=C%10CN9CCN(c8ccc(C(=O)NS(=O)(=O)c4ccc(NC[C@H]3CC[C@H](N2CCOCC2)CO3)c([N+](=O)[O-])c4)c(N7CCCOc6nc5[nH]ccc5cc67)c8)C[C@H]9COCCCO[C@@H]%10C%11
CC1(C)C[C@H]2OCCCOC[C@@H]3CN(CCN3CC2=C(C1)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2ccc(OC[C@H]3CC[C@@H](CC3)N3CCOCC3)c(Cl)c2)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,wU:11.16,44.47,wD:4.3,47.54,c:20,(-2.76,-12.91,;-3.16,-11.43,;-1.82,-12.2,;-2.39,-10.09,;-3.16,-8.76,;-2.39,-7.43,;-.53,-8.27,;.96,-7.88,;.96,-6.34,;-.38,-5.57,;-1.71,-6.34,;-3.04,-5.57,;-3.04,-4.03,;-4.38,-3.26,;-5.71,-4.03,;-5.71,-5.57,;-4.38,-6.34,;-5.47,-7.43,;-4.7,-8.76,;-5.47,-10.09,;-4.7,-11.43,;-7.01,-10.09,;-7.78,-8.76,;-9.32,-8.76,;-10.09,-10.09,;-11.63,-10.09,;-9.32,-11.43,;-7.78,-11.43,;-4.38,-1.72,;-3.04,-.95,;-3.04,.59,;-4.38,1.36,;-4.38,2.9,;-5.71,3.67,;-3.04,3.67,;-3.04,5.21,;-3.81,6.55,;-4.53,5.61,;-1.71,5.98,;-.38,5.21,;.96,5.98,;.96,7.52,;2.29,8.29,;3.62,7.52,;4.96,8.29,;4.96,9.83,;6.29,10.6,;7.63,9.83,;7.63,8.29,;6.29,7.52,;8.96,10.6,;10.29,9.83,;11.63,10.6,;11.63,12.14,;10.29,12.91,;8.96,12.14,;-.38,8.29,;-.38,9.83,;-1.71,7.52,;-5.71,.59,;-5.71,-.95,;-7.04,1.36,;-6.93,2.9,;-8.06,3.95,;-9.58,3.72,;-10.35,2.38,;-9.79,.95,;-10.92,-.1,;-10.58,-1.6,;-11.46,-2.86,;-10.58,-4.09,;-9.1,-3.59,;-9.1,-2.05,;-7.97,-1.01,;-8.32,.5,)|
CC%11(C)CC(c1ccc(Cl)cc1)=C%10CN9CCN(c8ccc(C(=O)NS(=O)(=O)c4ccc(NCC3(F)CCN(C2COC2)CC3)c([N+](=O)[O-])c4)c(N7CCCOc6nc5[nH]ccc5cc67)c8)C[C@H]9COCCCO[C@@H]%10C%11
CO[C@H]1CC[C@H](COc2ccc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2N2CCCOc3nc4[nH]ccc4cc23)N2CCN3CC4=C(CC(C)(C)C[C@H]4OCCCOC[C@@H]3C2)c2ccc(Cl)cc2)OC1 |r,t:51|
CO[C@@H]%10C[C@@H](CNc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])C%10
CC1(C)C[C@H]2OCCCOC[C@@H]3CN(CCN3CC2=C(C1)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2cnc(OC[C@H]3CC[C@](C)(O)CC3)c(Cl)c2)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,wU:11.16,44.47,47.51,wD:4.3,47.52,c:20,(-1.5,-12.12,;-1.9,-10.63,;-.57,-11.4,;-1.13,-9.3,;-1.9,-7.96,;-1.13,-6.63,;.73,-7.48,;2.21,-7.08,;2.21,-5.54,;.88,-4.77,;-.45,-5.54,;-1.79,-4.77,;-1.79,-3.23,;-3.12,-2.46,;-4.45,-3.23,;-4.45,-4.77,;-3.12,-5.54,;-4.21,-6.63,;-3.44,-7.96,;-4.21,-9.3,;-3.44,-10.63,;-5.75,-9.3,;-6.52,-7.96,;-8.06,-7.96,;-8.83,-9.3,;-10.37,-9.3,;-8.06,-10.63,;-6.52,-10.63,;-3.12,-.92,;-1.79,-.15,;-1.79,1.39,;-3.12,2.16,;-3.12,3.7,;-4.45,4.47,;-1.79,4.47,;-1.79,6.01,;-2.56,7.34,;-3.27,6.41,;-.45,6.78,;.88,6.01,;2.21,6.78,;2.21,8.32,;3.55,9.09,;4.88,8.32,;6.21,9.09,;6.21,10.63,;7.55,11.4,;8.88,10.63,;9.28,12.12,;10.37,11.03,;8.88,9.09,;7.55,8.32,;.88,9.09,;.88,10.63,;-.45,8.32,;-4.45,1.39,;-4.45,-.15,;-5.79,2.16,;-5.67,3.7,;-6.8,4.74,;-8.32,4.51,;-9.09,3.18,;-8.53,1.75,;-9.66,.7,;-9.32,-.8,;-10.2,-2.06,;-9.32,-3.29,;-7.85,-2.8,;-7.85,-1.26,;-6.72,-.21,;-7.06,1.29,)|
CC1(C)C[C@H]2OCCCOC[C@@H]3CN(CCN3CC2=C(C1)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2ccc(OC[C@H]3CC[C@](C)(O)CC3)c(Cl)c2)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,wU:11.16,44.47,47.51,wD:4.3,47.52,c:20,(-1.5,-12.12,;-1.9,-10.63,;-.57,-11.4,;-1.13,-9.3,;-1.9,-7.96,;-1.13,-6.63,;.73,-7.48,;2.21,-7.08,;2.21,-5.54,;.88,-4.77,;-.45,-5.54,;-1.79,-4.77,;-1.79,-3.23,;-3.12,-2.46,;-4.45,-3.23,;-4.45,-4.77,;-3.12,-5.54,;-4.21,-6.63,;-3.44,-7.96,;-4.21,-9.3,;-3.44,-10.63,;-5.75,-9.3,;-6.52,-7.96,;-8.06,-7.96,;-8.83,-9.3,;-10.37,-9.3,;-8.06,-10.63,;-6.52,-10.63,;-3.12,-.92,;-1.79,-.15,;-1.79,1.39,;-3.12,2.16,;-3.12,3.7,;-4.45,4.47,;-1.79,4.47,;-1.79,6.01,;-2.56,7.34,;-3.27,6.41,;-.45,6.78,;.88,6.01,;2.21,6.78,;2.21,8.32,;3.55,9.09,;4.88,8.32,;6.21,9.09,;6.21,10.63,;7.55,11.4,;8.88,10.63,;9.28,12.12,;10.37,11.03,;8.88,9.09,;7.55,8.32,;.88,9.09,;.88,10.63,;-.45,8.32,;-4.45,1.39,;-4.45,-.15,;-5.79,2.16,;-5.67,3.7,;-6.8,4.74,;-8.32,4.51,;-9.09,3.18,;-8.53,1.75,;-9.66,.7,;-9.32,-.8,;-10.2,-2.06,;-9.32,-3.29,;-7.85,-2.8,;-7.85,-1.26,;-6.72,-.21,;-7.06,1.29,)|
CC%10(C)CC(c1ccc(Cl)cc1)=C9CN8CCN(c7ccc(C(=O)NS(=O)(=O)c3ccc(OC[C@@H]2CC[C@@](C)(O)CC2)c([N+](=O)[O-])c3)c(N6CCCOc5nc4[nH]ccc4cc56)c7)C[C@H]8COCCCO[C@@H]9C%10
CC%10(C)CC(c1ccc(Cl)cc1)=C9CN8CCN(c7ccc(C(=O)NS(=O)(=O)c3ccc(NCC2CCCCO2)c([N+](=O)[O-])c3)c(N6CCCOc5nc4[nH]ccc4cc56)c7)C[C@H]8COCCCO[C@@H]9C%10
CC%10(C)CC(c1ccc(Cl)cc1)=C9CN8CCN(c7ccc(C(=O)NS(=O)(=O)c3ccc(OCC2CCOCC2)c([N+](=O)[O-])c3)c(N6CCCOc5nc4[nH]ccc4cc56)c7)C[C@H]8COCCCO[C@@H]9C%10
COC[C@@]%10(F)C[C@@H](CNc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])C%10
CO[C@]%10(CF)C[C@@H](CNc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])C%10
CC1(C)C[C@H]2OCCCOC[C@@H]3CN(CCN3CC2=C(C1)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2cnc(OC[C@H]3CC[C@@](C)(O)CC3)c(Cl)c2)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,wU:11.16,44.47,47.52,wD:4.3,47.51,c:20,(-1.53,-12.04,;-1.93,-10.55,;-.59,-11.32,;-1.16,-9.22,;-1.93,-7.89,;-1.16,-6.55,;.7,-7.4,;2.19,-7,;2.19,-5.46,;.85,-4.69,;-.48,-5.46,;-1.81,-4.69,;-1.81,-3.15,;-3.15,-2.38,;-4.48,-3.15,;-4.48,-4.69,;-3.15,-5.46,;-4.24,-6.55,;-3.47,-7.89,;-4.24,-9.22,;-3.47,-10.55,;-5.78,-9.22,;-6.55,-7.89,;-8.09,-7.89,;-8.86,-9.22,;-10.4,-9.22,;-8.09,-10.55,;-6.55,-10.55,;-3.15,-.84,;-1.81,-.07,;-1.81,1.47,;-3.15,2.24,;-3.15,3.78,;-4.48,4.55,;-1.81,4.55,;-1.81,6.09,;-2.58,7.42,;-3.3,6.49,;-.48,6.86,;.85,6.09,;2.19,6.86,;2.19,8.4,;3.52,9.17,;4.86,8.4,;6.19,9.17,;6.19,10.71,;7.52,11.48,;8.86,10.71,;9.63,12.04,;10.4,10.71,;8.86,9.17,;7.52,8.4,;.85,9.17,;.85,10.71,;-.48,8.4,;-4.48,1.47,;-4.48,-.07,;-5.81,2.24,;-5.7,3.77,;-6.83,4.82,;-8.35,4.59,;-9.12,3.26,;-8.56,1.82,;-9.69,.78,;-9.34,-.73,;-10.23,-1.98,;-9.34,-3.22,;-7.87,-2.72,;-7.87,-1.18,;-6.74,-.13,;-7.09,1.37,)|
CO[C@@H]%10CC[C@@H](COc9ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN3CC2=C(c1ccc(Cl)cc1)CC(C)(C)C[C@H]2OCCCOC[C@@H]3C4)cc5N8CCCOc7nc6[nH]ccc6cc78)cc9[N+](=O)[O-])OC%10
CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CC[C@](C)(O)CO6)c([N+](=O)[O-])c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1
CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6COCCO6)c([N+](=O)[O-])c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1
CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5cnc(OCC6(F)CCN(C7COC7)CC6)c(Cl)c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCOC2C1
COC1CCC(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)CC6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2[N+](=O)[O-])CC1
C[C@@H]1COC(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)C[C@H]6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2[N+](=O)[O-])CO1
CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NC[C@H]6C[C@@](O)(CF)C6)c([N+](=O)[O-])c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCOC2C1
[H][C@@]12CN(CCN1CC1=C(CC(C)(C)C[C@@]1([H])OCCCOC2)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@H](O)CO3)c(c2)[N+]([O-])=O)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,t:9|
[H][C@@]12CN(CCN1CC1=C(CC(C)(C)C[C@@]1([H])OCCCOC2)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@@H](CO3)OC)c(c2)[N+]([O-])=O)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,t:9|
CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NC[C@H]6CC[C@](O)(CF)CC6)c([N+](=O)[O-])c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1
CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CC(O)(C7CCC7)C6)c([N+](=O)[O-])c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1
CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CC(O)(CF)C6)c([N+](=O)[O-])c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1
C[C@@H]1COC(COc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)C[C@H]6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2[N+](=O)[O-])CO1
C[C@@H]1CCC(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)C[C@H]6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2[N+](=O)[O-])OC1
C[C@H]1CCC(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)C[C@H]6OCCCOCC5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2[N+](=O)[O-])OC1
COC1CC[C@@H](CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)C[C@H]6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2[N+](=O)[O-])OC1
COC1(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)CC6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2[N+](=O)[O-])CCOCC1
CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCC(N7CCOCC7)CC6)c([N+](=O)[O-])c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1
COC1COC(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)CC6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2[N+](=O)[O-])C1
COC1CC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)CC6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2[N+](=O)[O-])C1
CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCC(C)(O)CC6)c([N+](=O)[O-])c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1
CO[C@H]1CCC(COc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)C[C@H]6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2[N+](=O)[O-])OC1
CO[C@H]1CCC(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)C[C@H]6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2Cl)OC1
COCCO[C@H]1CCC(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)C[C@H]6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2[N+](=O)[O-])OC1
CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCC(C)(O)CC6)c([N+](=O)[O-])c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1
CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(OCC6CCC(N7CCOCC7)CC6)c(Cl)c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1
CO[C@H]1CCC(COc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)C[C@H]6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2Cl)OC1
COC1CC(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)C[C@H]6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2[N+](=O)[O-])C1
CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5cnc(OCC6CCC(C)(O)CC6)c(Cl)c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1
CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(OCC6CCC(C)(O)CC6)c(Cl)c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1
CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(OCC6CCC(C)(O)CC6)c([N+](=O)[O-])c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1
CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5cnc(OCC6CCC(C)(O)CC6)c(Cl)c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1
COC1CC[C@@H](COc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)C[C@H]6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2[N+](=O)[O-])OC1
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(C(=O)COc3ccccc3)CC4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(C(=O)Cc3cccc(N5CCN(C)CC5)c3)CC4)n(C)c2C)c2ccccc2)cc(C#N)n1C
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(C(=O)Cc3cccc(N5CCOCC5)c3)CC4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(C(=O)Cc3cccc(N5CCN6CCOC[C@@H]6C5)c3)CC4)n(C)c2C)c2ccccc2)cc(C#N)n1C
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(C(=O)Cc3ccc(Oc5ccccc5)cc3)CC4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(C(=O)Cc3ccc(F)cc3F)CC4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(C(=O)Cc3ccccc3)CC4)n(C)c2C)c2ccc(O)cc2F)cc(C#N)n1C
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(S(=O)(=O)Cc3ccccc3)CC4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(C(=O)c3n[nH]c5ccccc35)CC4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(C(=O)c3cnc(-c5ccccc5)s3)CC4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(C(=O)C(F)(F)c3ccccc3)CC4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(C(=O)Cc3ccc(Cl)cc3F)CC4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(C(=O)C3Cc5ccccc5O3)CC4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C
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Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3CN3CCCC3)CN(C(=O)Cc3c(F)cc(OCCN5CCOCC5)cc3F)CC4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C
COC[C@@H]1Cc2ccccc2CN1C(=O)c1cc2c(cc1-c1cc(C(=O)N(c3ccc(O)cc3)c3cc(C#N)n(C(F)F)c3C)c(C)n1C)CCN(C(=O)Cc1ccc(OCCN3CCOCC3)cc1)C2
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)C3Cc5ccccc5C[C@H]3CN3CCC[C@@H]3C)CN(C(=O)Cc3ccc(OCCN5CCOCC5)cc3F)CC4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3CN3CCCCC3)CN(C(=O)Cc3ccc(OCCC5COCCO5)cc3F)CC4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3CN3CCCCC3)CN(C(=O)Cc3ccc(OCCC5COCCO5)cc3F)CC4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3CN3CCC5(CC5)C3)CN(C(=O)Cc3ccc(OCCN5CCOCC5)cc3F)CC4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C
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Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3CN3CCCCC3)CN(C(=O)C(F)(F)c3ccc(OCCN5CCOCC5)cc3)CC4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C
COc1ccc(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3CN(C)C(C)C)CN(C(=O)Cc3ccc(OCCN5CCOCC5)cc3F)CC4)n(C)c2C)c2ccc(O)cc2)cc1C#N
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COc1ccc(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3CN3CC5(CCC5)C3)CN(C(=O)Cc3ccc(OCCN5CCOCC5)cc3F)CC4)n(C)c2C)c2ccc(O)cc2)cc1C#N
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Cc1c(C(=O)N(c2ccccc2)c2cnn(C)c2)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2C)CN(C(=O)Cc2ccc(OCCN4CCOCC4)cc2)CC3)n1C
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CCN(C)CCOc1ccc(CC(=O)N2CCc3cc(-c4cc(C(=O)N(c5ccccc5)c5cnn(C(F)F)c5)c(C)n4C)c(C(=O)N4Cc5ccccc5C[C@H]4C)cc3C2)cc1
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COc1ccc(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(C(=O)Cc3ccc(OCCN5CCOCC5)cc3)CC4)n(C)c2C)c2ccccc2)cc1C#N
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Cc1ccc(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(C(=O)Cc3ccc(OCCN5CCOCC5)cc3F)CC4)n(C)c2C)c2ccccc2)cc1C#N
Cc1ccc(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(C(=O)Cc3ccc(OCCN5CCOCC5)cc3)CC4)n(C)c2C)c2ccccc2)cc1C#N
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Cc1c(C(=O)N(c2ccccc2)c2cc(C#N)n(C(F)F)c2C)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2C)CN(C(=O)Cc2ccc(OCCN4CCOCC4)cc2)CC3)n1C
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Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(C(=O)Cc3ccc(OCCNCCF)cc3)CC4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C
Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3C)CN(C(=O)Cc3ccc(OCCN5CCOCC5)cc3)CC4)n(C)c2C)c2ccccc2)cc(C#N)n1C
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Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2ccn(C)c2c1 |(8.69,-5.59,;7.22,-5.12,;6.74,-3.66,;5.2,-3.66,;4.29,-2.42,;4.73,-5.13,;3.26,-5.61,;5.98,-6.03,;5.98,-7.57,;4.66,-8.35,;3.32,-7.58,;4.65,-9.89,;5.99,-10.66,;7.32,-9.89,;8.8,-10.37,;9.27,-11.83,;10.78,-12.15,;11.25,-13.62,;12.76,-13.94,;13.24,-15.4,;14.74,-15.71,;15.22,-17.17,;16.73,-17.49,;14.19,-18.33,;14.66,-19.79,;12.68,-18.01,;11.65,-19.15,;12.2,-16.54,;9.71,-9.11,;11.26,-9.17,;11.87,-10.59,;12.28,-8,;11.99,-6.47,;10.63,-5.73,;9.2,-6.35,;8.8,-7.86,;7.32,-8.34,;13.77,-8.4,;14.85,-7.31,;16.33,-7.7,;17.42,-6.61,;17.02,-5.13,;18.91,-7.01,;16.73,-9.2,;18.1,-9.9,;17.85,-11.43,;16.33,-11.66,;15.63,-13.03,;15.64,-10.28,;14.16,-9.88,)|
Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cc(cc6c5ccn6C)C(=O)O)c7c(nn(c7C)C)C)Cl
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2OCOc12)C(O)=O |(71.14,-5.68,;69.67,-5.21,;69.19,-3.75,;67.65,-3.75,;66.74,-2.51,;67.18,-5.22,;65.72,-5.7,;68.43,-6.12,;68.44,-7.67,;67.11,-8.44,;65.78,-7.67,;67.11,-9.98,;68.44,-10.75,;69.77,-9.98,;71.25,-10.46,;71.73,-11.93,;73.23,-12.25,;73.71,-13.71,;75.22,-14.03,;75.69,-15.49,;77.19,-15.81,;77.67,-17.27,;79.18,-17.58,;76.64,-18.42,;77.12,-19.88,;75.13,-18.1,;74.1,-19.24,;74.66,-16.64,;72.16,-9.2,;73.72,-9.27,;74.33,-10.68,;74.74,-8.09,;74.45,-6.56,;73.08,-5.83,;71.66,-6.45,;71.25,-7.95,;69.77,-8.43,;76.22,-8.49,;77.3,-7.4,;78.78,-7.8,;79.19,-9.29,;78.1,-10.37,;78.19,-11.91,;76.75,-12.47,;75.78,-11.27,;76.61,-9.98,;79.87,-6.71,;79.47,-5.22,;81.36,-7.1,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(C(O)=O)c2ccn(C)c12 |(7.76,-23.42,;6.29,-22.95,;5.81,-21.48,;4.27,-21.49,;3.36,-20.24,;3.8,-22.95,;2.34,-23.43,;5.05,-23.85,;5.06,-25.4,;3.73,-26.17,;2.4,-25.4,;3.73,-27.72,;5.06,-28.49,;6.4,-27.72,;7.87,-28.2,;8.35,-29.66,;9.85,-29.98,;10.33,-31.44,;11.84,-31.76,;12.31,-33.23,;13.81,-33.54,;14.29,-35,;15.8,-35.31,;13.26,-36.15,;13.74,-37.62,;11.75,-35.83,;10.72,-36.98,;11.28,-34.37,;8.78,-26.94,;10.34,-27,;10.95,-28.42,;11.36,-25.82,;11.07,-24.29,;9.7,-23.56,;8.28,-24.18,;7.87,-25.69,;6.39,-26.16,;12.84,-26.23,;13.92,-25.14,;15.41,-25.53,;15.81,-27.03,;17.3,-27.43,;18.39,-26.34,;17.69,-28.91,;14.71,-28.11,;14.79,-29.64,;13.36,-30.19,;12.39,-29,;10.9,-29.39,;13.23,-27.71,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(C(O)=O)c2cccnc12 |(26.17,-23.93,;24.7,-23.46,;24.22,-22,;22.68,-22,;21.77,-20.76,;22.21,-23.47,;20.75,-23.95,;23.46,-24.37,;23.47,-25.91,;22.14,-26.69,;20.81,-25.92,;22.14,-28.23,;23.47,-29,;24.81,-28.23,;26.28,-28.71,;26.76,-30.17,;28.26,-30.49,;28.74,-31.96,;30.25,-32.28,;30.72,-33.74,;32.22,-34.05,;32.7,-35.51,;34.21,-35.83,;31.67,-36.67,;32.15,-38.13,;30.16,-36.35,;29.13,-37.49,;29.69,-34.88,;27.19,-27.45,;28.75,-27.51,;29.36,-28.93,;29.77,-26.34,;29.48,-24.81,;28.11,-24.07,;26.69,-24.69,;26.28,-26.2,;24.8,-26.68,;31.25,-26.74,;32.33,-25.65,;33.82,-26.04,;34.22,-27.54,;35.71,-27.94,;36.8,-26.85,;36.1,-29.43,;33.12,-28.62,;33.52,-30.1,;32.45,-31.18,;30.96,-30.79,;30.56,-29.31,;31.64,-28.22,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2c(cccc12)C(O)=O |(67.52,-23.94,;66.05,-23.47,;65.57,-22,;64.03,-22.01,;63.12,-20.77,;63.56,-23.47,;62.1,-23.96,;64.81,-24.38,;64.82,-25.92,;63.49,-26.69,;62.15,-25.92,;63.49,-28.24,;64.82,-29.01,;66.15,-28.24,;67.63,-28.72,;68.1,-30.18,;69.61,-30.5,;70.09,-31.97,;71.59,-32.29,;72.07,-33.75,;73.57,-34.06,;74.05,-35.52,;75.56,-35.84,;73.02,-36.68,;73.5,-38.14,;71.51,-36.35,;70.48,-37.5,;71.04,-34.89,;68.54,-27.46,;70.1,-27.52,;70.71,-28.94,;71.11,-26.35,;70.83,-24.82,;69.46,-24.08,;68.04,-24.7,;67.63,-26.21,;66.15,-26.69,;72.6,-26.75,;73.68,-25.66,;75.16,-26.05,;75.57,-27.55,;74.47,-28.63,;74.87,-30.1,;73.8,-31.19,;72.31,-30.8,;71.91,-29.32,;72.99,-28.23,;76.36,-30.5,;77.44,-29.4,;76.76,-31.98,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2c(cccc12)C(O)=O |(9.09,-43.19,;7.62,-42.72,;7.14,-41.25,;5.6,-41.26,;4.69,-40.01,;5.13,-42.72,;3.67,-43.2,;6.38,-43.63,;6.39,-45.17,;5.06,-45.94,;3.73,-45.17,;5.06,-47.49,;6.39,-48.26,;7.73,-47.49,;9.2,-47.97,;9.68,-49.43,;11.18,-49.75,;11.66,-51.21,;13.17,-51.53,;13.64,-53,;15.14,-53.31,;15.62,-54.77,;17.13,-55.08,;14.59,-55.92,;15.07,-57.39,;13.08,-55.6,;12.05,-56.75,;12.61,-54.14,;10.11,-46.71,;11.67,-46.77,;12.28,-48.19,;12.69,-45.6,;12.4,-44.07,;11.03,-43.33,;9.61,-43.95,;9.2,-45.46,;7.72,-45.94,;14.17,-46,;15.38,-45.02,;16.67,-45.86,;18.11,-45.31,;16.27,-47.35,;17.1,-48.63,;16.41,-50,;14.87,-50.08,;14.03,-48.79,;14.73,-47.43,;18.64,-48.55,;19.33,-47.18,;19.48,-49.84,)|
CCC(CC)(CS[C@@H](C)C1=CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)O
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2ccn(C)c12)C(O)=O |(50.87,-5.98,;49.4,-5.51,;48.92,-4.04,;47.38,-4.05,;46.48,-2.81,;46.91,-5.52,;45.45,-6,;48.16,-6.42,;48.17,-7.96,;46.84,-8.73,;45.51,-7.96,;46.84,-10.28,;48.17,-11.05,;49.51,-10.28,;50.98,-10.76,;51.46,-12.22,;52.96,-12.54,;53.44,-14.01,;54.95,-14.33,;55.42,-15.79,;56.92,-16.1,;57.4,-17.56,;58.91,-17.88,;56.37,-18.72,;56.85,-20.18,;54.86,-18.39,;53.83,-19.54,;54.39,-16.93,;51.89,-9.5,;53.45,-9.56,;54.06,-10.98,;54.47,-8.39,;54.18,-6.86,;52.81,-6.12,;51.39,-6.74,;50.98,-8.25,;49.51,-8.73,;55.96,-8.79,;57.03,-7.7,;58.52,-8.09,;58.92,-9.59,;57.82,-10.67,;57.9,-12.2,;56.47,-12.75,;55.51,-11.56,;54.01,-11.95,;56.34,-10.27,;59.6,-7,;59.2,-5.52,;61.09,-7.4,)|
Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cccc6c5n(cc6C(=O)O)C)c7c(nn(c7C)C)C)Cl
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2cc(ccc12)C(O)=O |(29.33,-42.13,;27.86,-41.66,;27.38,-40.2,;25.84,-40.2,;24.93,-38.96,;25.37,-41.67,;23.91,-42.15,;26.62,-42.57,;26.63,-44.11,;25.3,-44.88,;23.96,-44.12,;25.3,-46.43,;26.63,-47.2,;27.96,-46.43,;29.44,-46.91,;29.91,-48.37,;31.42,-48.69,;31.9,-50.16,;33.4,-50.48,;33.88,-51.94,;35.38,-52.25,;35.86,-53.71,;37.37,-54.03,;34.83,-54.87,;35.31,-56.33,;33.32,-54.55,;32.29,-55.69,;32.85,-53.08,;30.35,-45.65,;31.91,-45.71,;32.52,-47.13,;32.93,-44.54,;32.64,-43.01,;31.27,-42.27,;29.85,-42.89,;29.44,-44.4,;27.96,-44.88,;34.41,-44.94,;35.62,-43.97,;36.91,-44.81,;38.34,-44.26,;36.5,-46.29,;37.34,-47.58,;36.64,-48.94,;35.1,-49.02,;34.27,-47.73,;34.97,-46.37,;37.48,-50.23,;39.02,-50.15,;36.79,-51.6,)|
Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r|
Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)|
NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCC\C(=N/Nc4nc5ccccc5s4)c3c2)cc1
CC(C)Cc1cc(ccc1OCC([O-])=O)-c1ccc(cc1Cc1ccccc1)-c1ccc(CCC([O-])=O)cc1CC(C)C
CC(C)Oc1cc(ccc1N)C(=O)Nc1ccc(nc1OC(C)C)C(=O)Nc1ccc(cc1OC(C)C)C(O)=O
CC(C)n1c(C)c(c(c1-c1ccc(Cl)cc1)-c1cc(F)cc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1)S(C)(=O)=O |r|
Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1cc(O)c(O)c(O)c1
CC(C)c1cc2cc(c(O)c(C=O)c2c(O)c1O)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(4.39,-16.38,;5.72,-15.61,;7.06,-16.39,;5.72,-14.07,;7.06,-13.3,;7.05,-11.76,;8.37,-10.99,;8.37,-9.46,;7.03,-8.69,;7.03,-7.15,;5.72,-9.46,;4.38,-8.7,;4.37,-7.16,;5.72,-10.99,;4.39,-11.76,;3.06,-10.99,;4.39,-13.3,;3.06,-14.07,;9.7,-8.67,;11.04,-9.43,;11.05,-10.97,;12.37,-8.65,;12.35,-7.11,;13.67,-6.33,;15.01,-7.08,;15.03,-8.62,;16.34,-6.3,;13.66,-4.78,;14.98,-4,;12.3,-4.03,;12.28,-2.49,;10.98,-4.82,;9.64,-4.07,;9.62,-2.53,;11,-6.35,;9.68,-7.14,;8.34,-6.39,)|
COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 |c:4,t:2|
OC(=O)CSc1ccc(C(=O)c2cc(Cl)c(Cl)n2-c2c(Cl)c(Cl)[nH]c2C(=O)c2ccc(SCC(O)=O)cc2O)c(O)c1 |(-5.34,2.77,;-5.34,1.53,;-6.41,.92,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;1.42,-3.96,;1.89,-5.43,;1.16,-6.42,;3.43,-5.43,;4.15,-6.43,;3.91,-3.97,;5.37,-3.49,;5.94,-2.08,;5.29,-1.03,;7.47,-2.2,;8.28,-1.27,;7.83,-3.7,;6.52,-4.5,;6.38,-6.04,;5.27,-6.56,;7.64,-6.92,;9.04,-6.27,;10.3,-7.15,;10.17,-8.68,;11.43,-9.57,;11.3,-11.1,;12.56,-11.99,;13.67,-11.47,;12.45,-13.21,;8.77,-9.34,;7.51,-8.45,;6.4,-8.98,;1.33,.77,;2.4,1.39,;,1.54,)|
Oc1ccccc1C(=O)c1[nH]c(Cl)c(Cl)c1-n1c(Cl)c(Cl)cc1C(=O)c1ccccc1O |(6.4,-8.98,;7.51,-8.45,;8.77,-9.34,;10.17,-8.68,;10.3,-7.15,;9.04,-6.27,;7.64,-6.92,;6.38,-6.04,;5.27,-6.56,;6.52,-4.5,;7.83,-3.7,;7.47,-2.2,;8.28,-1.27,;5.94,-2.08,;5.29,-1.03,;5.37,-3.49,;3.91,-3.97,;3.43,-5.43,;4.15,-6.43,;1.89,-5.43,;1.16,-6.42,;1.42,-3.96,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;2.4,1.39,)|
[H][C@]12C[C@H](CCOC(=O)Nc3cccnc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:17,t:35|
[H][C@]12C[C@H](CCOC(=O)Nc3ccc(cc3)C(C)=O)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:20,t:38|
[H][C@]12C[C@H](CC(=O)NCc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OC)C=C(C)C2)C(=O)OC |r,c:17,t:36|
[H][C@]12C[C@H](CC(O)=O)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OC)C=C(C)C2)C(=O)OC |r,c:8,t:27|
[H][C@]12C[C@H](CCO)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OC)C=C(C)C2)C(=O)OC |r,c:7,t:26|
[H][C@]12C[C@H](CCOC(=O)Nc3ccc(Br)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36|
[H][C@]12C[C@H](CCOC(=O)Nc3cccc(Br)c3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36|
[H][C@]12C[C@H](CCOC(=O)Nc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36|
[H][C@]12C[C@H](CCOC(=O)Nc3cccc(Cl)c3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36|
[H][C@]12C[C@H](CCOC(=O)c3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:17,t:35|
[H][C@]12C[C@H](CCOC(=O)c3ccc(Oc4ccc(NC(=O)COc5ccc(C)cc5)cc4)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:37,t:55|
[H][C@]12C[C@H](CCOC(=O)c3ccc(Oc4cccnc4)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:24,t:42|
[H][C@@]1(C[C@]2([H])CC(C)=C[C@@H](\C=C(/C)[C@H]3CCC(CC3)C(O)=O)[C@@]2(C=C1)C(O)=O)[C@@H](C)CCC=C(C)C |r,wU:1.0,28.31,wD:3.3,9.9,13.12,22.27,c:7,25,(10.46,-2.76,;10.48,-4.31,;9.14,-3.52,;7.81,-4.3,;7.8,-2.76,;6.48,-3.51,;5.15,-4.3,;3.82,-3.53,;5.15,-5.84,;6.48,-6.59,;6.49,-8.13,;5.15,-8.91,;3.82,-8.14,;5.15,-10.45,;3.81,-11.21,;3.81,-12.74,;5.14,-13.52,;6.48,-12.75,;6.49,-11.2,;5.14,-15.06,;3.8,-15.82,;6.47,-15.83,;7.81,-5.84,;9.13,-6.6,;10.47,-5.85,;8.2,-7.31,;7.42,-8.64,;9.74,-7.31,;11.81,-3.54,;11.82,-2,;13.14,-4.32,;14.48,-3.55,;15.81,-4.33,;17.15,-3.57,;18.48,-4.35,;17.16,-2.03,)|
[H][C@]12C[C@H](CC(=O)N(C)Cc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OC)C=C(C)C2)C(=O)OC |r,c:18,t:37|
[H][C@]12C[C@H](CC(=O)Nc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OC)C=C(C)C2)C(=O)OC |r,c:16,t:35|
[H][C@]12C[C@H](CC(=O)NCCc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OC)C=C(C)C2)C(=O)OC |r,c:18,t:37|
[H][C@]12C[C@H](CC(=O)NCc3cccnc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OC)C=C(C)C2)C(=O)OC |r,c:16,t:35|
[H][C@]12C[C@H](CC(=O)Nc3cccnc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OC)C=C(C)C2)C(=O)OC |r,c:15,t:34|
[H][C@]12C[C@H](CC(=O)Nc3ccc(cc3)N3CCOCC3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OC)C=C(C)C2)C(=O)OC |r,c:22,t:41|
[H][C@]12C[C@H](CC(=O)NCc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(=O)OC |r,c:17,t:35|
[H][C@]12C[C@H](CC(=O)Nc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(=O)OC |r,c:16,t:34|
[H][C@]12C[C@H](CC(=O)Nc3ccc(cc3)N3CCOCC3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(=O)OC |r,c:22,t:40|
[H][C@]12C[C@H](CCO)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OCOC(C)=O)C=C(C)C2)C(=O)OCOC(C)=O |r,c:7,t:30|
[H][C@]12C[C@H](CC(O)=O)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OCOC(C)=O)C=C(C)C2)C(=O)OCOC(C)=O |r,c:8,t:31|
[H][C@]12C[C@H](CC(=O)NCc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OCOC(C)=O)C=C(C)C2)C(=O)OCOC(C)=O |r,c:17,t:40|
[H][C@]12C[C@H](CC(=O)NCc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:17,t:35|
[H][C@]12C[C@H](CCN=[N+]=[N-])C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OCOC(C)=O)C=C(C)C2)C(=O)OCOC(C)=O |r,c:9,t:32|
[H][C@]12C[C@H](CCn3cc(nn3)-c3ccccc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OCOC(C)=O)C=C(C)C2)C(=O)OCOC(C)=O |r,c:19,t:42|
[H][C@]12C[C@H](CCn3cc(nn3)-c3cccnc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OCOC(C)=O)C=C(C)C2)C(=O)OCOC(C)=O |r,c:19,t:42|
[H][C@]12C[C@H](CCn3cc(nn3)-c3ccccc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:19,t:37|
[H][C@]12C[C@H](CCn3cc(Cc4ccccc4)nn3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:20,t:38|
[H][C@]12C[C@H](CCn3cc(nn3)-c3cccnc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:19,t:37|
[H][C@]12C[C@H](CCn3cc(Cc4ccccc4)nn3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OCOC(C)=O)C=C(C)C2)C(=O)OCOC(C)=O |r,c:20,t:43|
CC1(C)CCC(=C(CN2CCc3sc(cc3C2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5|
CC1(C)CCC(=C(CN2CCc3ccc(cc3CC2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5|
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCC3(CN4CC(F)(F)C4)COC3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |t:5|
CC1(C)CCC(=C(CNC2(Cn3cnc4ccc(cc34)C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN4CCOCC4)CSc4ccccc4)c(c3)S(=O)(=O)C(F)(F)F)CC2)C1)c1ccc(Cl)cc1 |r,t:5|
CC1(C)CCC(=C(CNC2(Cn3cnc4cc(ccc34)C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN4CCOCC4)CSc4ccccc4)c(c3)S(=O)(=O)C(F)(F)F)CC2)C1)c1ccc(Cl)cc1 |r,t:5|
CN(C)c1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |t:35|
CN(CCO)c1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |t:37|
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@@H](CC3CC3)C(=O)N3CCOCC3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5|
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@@H](CC3CC3)CN3CCOCC3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5|
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(OCC3(CN4CCOCC4)COC3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |t:5|
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(C)(=O)=O)C1)c1ccc(Cl)cc1 |t:5|
CC1(C)CCC(=C(CN2CCc3cc(ccc3C2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5|
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N3CC(F)(F)C3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |t:5|
CC1(C)CCC(=C(CN2CCc3nc(sc3C2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5|
CN1CCN(CC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |t:26|
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NC3(CN4CC(F)(F)C4)CC3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |t:5|
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NC3(CN4CCOCC4)CC3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |t:5|
Cn1ccc(n1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |t:25|
CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
Cc1cc(Oc2ccc(\C=C3/SC(=O)N([C@@H](Cc4ccccc4)C(O)=O)C3=O)cc2)cc(C)c1Cl |r|
CO[C@H]1CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |wU:5.5,wD:2.1,t:48,(-3.85,-16.17,;-2.52,-15.4,;-2.52,-13.86,;-1.18,-13.09,;-1.18,-11.55,;-2.52,-10.78,;-2.52,-9.24,;-1.18,-8.47,;-1.18,-6.93,;-2.52,-6.16,;-2.52,-4.62,;-1.18,-3.85,;.15,-4.62,;.15,-6.16,;1.48,-6.93,;2.82,-6.16,;1.48,-8.47,;-1.18,-2.31,;-2.72,-2.31,;.36,-2.31,;-1.18,-.77,;-2.52,,;-3.85,-.77,;-2.52,1.54,;-3.85,2.31,;-3.85,3.85,;-2.52,4.62,;-1.18,3.85,;-1.18,2.31,;.15,1.54,;1.48,2.31,;1.48,3.85,;2.82,4.62,;4.15,3.85,;5.61,4.33,;6.52,3.08,;5.61,1.83,;4.15,2.31,;2.82,1.54,;-2.52,6.16,;-3.85,6.93,;-3.85,8.47,;-2.52,9.24,;-2.52,10.78,;-1.18,11.55,;-1.18,13.09,;.15,13.86,;1.48,13.09,;2.25,14.42,;3.02,13.09,;1.48,11.55,;.15,10.78,;-2.52,13.86,;-3.85,13.09,;-5.19,13.86,;-5.19,15.4,;-6.52,16.17,;-3.85,16.17,;-2.52,15.4,;-1.18,8.47,;-1.18,6.93,;-3.85,-11.55,;-3.85,-13.09,)|
[H][C@]12O[C@](C)(C(=O)N3CCN(CC3)c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c(c4)[N+]([O-])=O)c(Oc4cnc5[nH]ccc5c4)c3)[C@]3([H])CC[C@@H](C)[C@]4([H])CC[C@@](C)(OO[C@@]134)O2 |r|
[H][C@]12OC(=C(CN3CCN(CC3)c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c(c4)[N+]([O-])=O)c(Oc4cnc5[nH]ccc5c4)c3)[C@]3([H])CC[C@@H](C)[C@]4([H])CC[C@@](C)(OO[C@@]134)O2)C(F)(F)F |r,t:3|
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(OC(OCCNC1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3ccc(NCC5CCOCC5)c(c3)[N+]([O-])=O)c(Oc3cnc5[nH]ccc5c3)c1)[C@@H]2C)O4 |r|
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(OC(OCCN1CCN(C[C@H]1CO)c1ccc(C(=O)NS(=O)(=O)c3ccc(NCC5CCOCC5)c(c3)[N+]([O-])=O)c(Oc3cnc5[nH]ccc5c3)c1)[C@@H]2C)O4 |r|
[H][C@]12O[C@@]3(C)CC[C@@]4([H])[C@H](C)CC[C@@]([H])([C@@H](C)[C@@H](CC(=O)N5CCN(CC5)c5ccc(C(=O)NS(=O)(=O)c6ccc(NCC7CCOCC7)c(c6)[N+]([O-])=O)c(Oc6cnc7[nH]ccc7c6)c5)O1)[C@@]24O3 |r|
[H][C@]12O[C@@]3(C)CC[C@@]4([H])[C@H](C)CC[C@@]([H])([C@@H](C)[C@@H](OCCN5CCN(CC5)c5ccc(C(=O)NS(=O)(=O)c6ccc(NCC7CCOCC7)c(c6)[N+]([O-])=O)c(Oc6cnc7[nH]ccc7c6)c5)O1)[C@@]24O3 |r|
[H][C@]12O[C@@]3(C)CC[C@@]4([H])[C@H](C)CC[C@@]([H])([C@@H](C)[C@@H](CCN5CCN(CC5)c5ccc(C(=O)NS(=O)(=O)c6ccc(NCC7CCOCC7)c(c6)[N+]([O-])=O)c(Oc6cnc7[nH]ccc7c6)c5)O1)[C@@]24O3 |r|
[H][C@@]12CC[C@@]3(C)OO[C@]11C(O[C@H](OC)[C@@](C)(CC(=O)N4CCN(CC4)c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c(c5)[N+]([O-])=O)c(Oc5cnc6[nH]ccc6c5)c4)[C@]1([H])CC[C@H]2C)O3 |r|
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](CC(=O)N1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3ccc(NCC5CCOCC5)c(c3)[N+]([O-])=O)c(Oc3cnc5[nH]ccc5c3)c1)[C@@H]2C)O4 |r|
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H]([C@@H]2C)N(C)CCN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1)O4 |r|
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](CCCN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3ccc(NCC5CCOCC5)c(c3)[N+]([O-])=O)c(Oc3cnc5[nH]ccc5c3)c1)[C@@H]2C)O4 |r|
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](CCN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3ccc(NCC5CCOCC5)c(c3)[N+]([O-])=O)c(Oc3cnc5[nH]ccc5c3)c1)[C@@H]2C)O4 |r|
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(OC(OCCN1CCN(C[C@@H]1CO)c1ccc(C(=O)NS(=O)(=O)c3ccc(NCC5CCOCC5)c(c3)[N+]([O-])=O)c(Oc3cnc5[nH]ccc5c3)c1)[C@@H]2C)O4 |r|
[H][C@]12O[C@H](OCCN3CCN(CC3)c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c(c4)[N+]([O-])=O)c(Oc4cnc5[nH]ccc5c4)c3)[C@](C)(O)[C@]3([H])CC[C@@H](C)[C@]4([H])CC[C@@](C)(OO[C@@]134)O2 |r|
[H][C@@]12O[C@]3(C)O[C@@]11[C@@]([H])(C[C@H]3O)[C@H](C)CC[C@@]1([H])[C@@H](C)[C@@H](OCCN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c1)O2 |r|
[H][C@@]12O[C@]3(C)O[C@]11[C@@]([H])(CC[C@@H](C)[C@]1([H])C[C@H]3O)[C@@H](C)[C@@H](CC(=O)N1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c1)O2 |r|
[H][C@]12O[C@@]3(C)CC[C@@]4([H])[C@H](C)CC[C@@]([H])(C(CN5CCN(CC5)c5ccc(C(=O)NS(=O)(=O)c6ccc(NCC7CCOCC7)c(c6)[N+]([O-])=O)c(Oc6cnc7[nH]ccc7c6)c5)=C(O1)C(F)(F)F)[C@@]24O3 |r,c:67|
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OCCN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3ccc(NCC5CCOCC5)c(c3)[N+]([O-])=O)c(Oc3cnc5[nH]ccc5c3)c1)[C@@H]2C)O4 |r|
OC[C@@H]1C=C[C@@H](NCc2ccccc2)[C@@H](O)[C@H]1N(Cc1ccccc1)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 |r,c:3|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r|
Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r|
Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Oc1ccc(cc1)-c1ccccc1
c1cc(ccc1c2ccc(cc2)F)C(=O)O
OC(=O)c1ccc(cc1\C=C\c1cccc(c1)-c1ccccc1)-c1ccc(F)cc1
c1cc2c(c(c1)O)CCCC2
OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1
c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)c4ccccc4
c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)Cc4ccc(cc4)F
COc1cccc(CCSc2ccc(NS(=O)(=O)N3CCN(CC3)c3ccc(cc3)C(C)(C)C)c(c2)C(O)=O)c1
CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCc2ccccc2)cc1C(O)=O
c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3
CC(C)(C)c1ccc(cc1)CN2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCc4ccccc4
CC(C)(C)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCC(=O)Nc4ccccc4
C[C@H]1C/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)[C@@H]1C)OC
CCc1sc2ncnc(NC(C(O)=O)c3ccccc3)c2c1-c1cccc(Oc2ccc(F)cc2)c1
CCc1sc2ncnc(N[C@@H](C)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r|
CCNS(=O)(=O)c1cccc(c1)-c1nc(N[C@H](C)C(O)=O)c2c(c(CC)sc2n1)-c1cccc(Oc2ccc(F)cc2)c1 |r|
CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r|
CCc1sc2ncnc(N[C@@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r|
CCc1sc2ncnc(N[C@@H](C(O)=O)c3ccccc3)c2c1-c1cccc(O)c1 |r|
CCc1sc2ncnc(N[C@H](C(O)=O)c3ccccc3)c2c1-c1cccc(O)c1 |r|
CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc2[nH]ccc12 |r,wU:10.10,(36.48,-12.68,;35.71,-11.35,;34.17,-11.35,;33.27,-12.59,;31.8,-12.12,;30.47,-12.9,;29.13,-12.13,;29.13,-10.58,;30.47,-9.81,;30.47,-8.27,;29.13,-7.5,;29.13,-5.96,;27.79,-5.2,;27.8,-3.66,;26.47,-2.89,;25.13,-3.66,;25.14,-5.21,;26.47,-5.97,;27.8,-8.28,;26.46,-7.51,;27.8,-9.82,;31.8,-10.58,;33.27,-10.1,;33.74,-8.63,;32.71,-7.5,;33.18,-6.04,;34.69,-5.71,;35.72,-6.85,;37.26,-6.84,;37.75,-8.31,;36.5,-9.22,;35.25,-8.32,)|
C[C@@H](Nc1ncnc2sc(c(-c3cccc(O)c3)c12)-c1ccccc1)C(O)=O |r|
CCc1sc2nc(nc(N[C@H](C)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1)S(C)(=O)=O |r|
CCc1sc2ncnc(N[C@H](CC3CCCCC3)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r|
C[C@@H](Nc1ncnc2scc(-c3cccc(O)c3)c12)C(O)=O |r|
CCc1sc2ncnc(N[C@@H](C)C(O)=O)c2c1-c1ccc(SC)cc1 |r|
CCc1sc2nc(nc(N[C@H](C)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1)-c1cccnc1 |r|
CCc1sc2ncnc(NC(CO)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](CO)NC(=O)CNC(=O)CN)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(N)=O |r|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(56.68,-29.59,;57.58,-30.84,;59.12,-30.68,;60.03,-31.93,;61.56,-31.92,;62.47,-30.67,;63.93,-31.14,;65.17,-30.23,;63.94,-32.67,;65.08,-33.69,;64.77,-35.19,;63.31,-35.68,;62.16,-34.65,;62.48,-33.15,;63,-37.18,;64.15,-38.21,;61.54,-37.67,;59.4,-33.33,;60.3,-34.58,;57.87,-33.49,;56.97,-34.74,;56.95,-36.28,;58.28,-37.06,;58.26,-38.6,;59.59,-39.38,;59.57,-40.92,;60.89,-41.7,;60.89,-43.23,;62.22,-44.01,;59.54,-44,;59.53,-45.54,;58.21,-43.21,;56.87,-43.97,;58.23,-41.67,;55.5,-34.27,;54.17,-35.04,;52.83,-34.27,;52.83,-32.73,;51.5,-31.96,;54.16,-31.96,;54.15,-29.06,;52.9,-28.16,;51.44,-28.64,;53.37,-26.7,;54.91,-26.69,;55.82,-25.44,;55.39,-28.15,;56.86,-28.63,;55.5,-32.72,;56.96,-32.25,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C(O)=O)c2ccn(C)c2c1 |r,wD:1.0,(-1.71,6.23,;-1.32,4.75,;.22,4.91,;1.12,3.66,;.49,2.25,;1.26,.92,;-1.04,2.09,;-1.94,.85,;-1.54,-.64,;-.06,-1.04,;.34,-2.53,;1.83,-2.93,;2.23,-4.41,;3.72,-4.81,;4.11,-6.3,;5.6,-6.7,;3.03,-7.39,;3.42,-8.88,;1.54,-6.99,;.45,-8.08,;1.14,-5.5,;-3.41,1.32,;-4.74,.55,;-6.07,1.32,;-6.07,2.86,;-7.41,3.63,;-4.74,3.63,;-4.74,5.17,;-3.49,6.08,;-2.16,5.31,;-3.97,7.54,;-5.51,7.54,;-6.28,8.88,;-5.99,6.08,;-7.32,5.31,;-3.41,2.86,;-1.94,3.34,;2.66,3.66,;3.43,2.33,;4.97,2.33,;5.74,.99,;4.97,-.34,;7.28,.99,;5.74,3.66,;7.25,3.98,;7.41,5.51,;6,6.14,;5.6,7.63,;4.97,4.99,;3.43,4.99,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2n(C)ccc12)C(O)=O |r,wD:1.0,(-1.65,6.23,;-1.25,4.75,;.28,4.91,;1.18,3.66,;.56,2.25,;1.33,.92,;-.97,2.09,;-1.88,.85,;-1.48,-.64,;.01,-1.04,;.41,-2.53,;1.89,-2.93,;2.29,-4.41,;3.78,-4.81,;4.18,-6.3,;5.67,-6.7,;3.09,-7.39,;3.49,-8.88,;1.6,-6.99,;.51,-8.08,;1.2,-5.5,;-3.34,1.32,;-4.68,.55,;-6.01,1.32,;-6.01,2.86,;-7.34,3.63,;-4.68,3.63,;-4.68,5.17,;-3.43,6.08,;-2.1,5.31,;-3.91,7.54,;-5.45,7.54,;-6.22,8.88,;-5.92,6.08,;-7.26,5.31,;-3.34,2.86,;-1.88,3.34,;2.72,3.66,;3.49,2.33,;5.03,2.33,;5.8,3.66,;5.03,4.99,;5.51,6.46,;6.84,7.23,;4.26,7.36,;3.02,6.46,;3.49,4.99,;5.8,.99,;5.03,-.34,;7.34,.99,)|
C[C@@H]1CN(c2cn(C)c3cc(ccc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(7.6,-25.05,;8.51,-26.3,;10.05,-26.14,;10.96,-27.38,;12.49,-27.38,;13.4,-26.13,;14.86,-26.6,;16.1,-25.69,;14.86,-28.13,;16.01,-29.15,;15.7,-30.65,;14.24,-31.13,;13.09,-30.11,;13.41,-28.61,;16.85,-31.67,;16.54,-33.18,;18.31,-31.18,;10.33,-28.79,;11.23,-30.04,;8.8,-28.95,;7.89,-30.2,;7.88,-31.73,;9.21,-32.52,;9.19,-34.06,;10.52,-34.84,;10.5,-36.38,;11.82,-37.15,;11.81,-38.69,;13.15,-39.47,;10.47,-39.45,;10.46,-40.99,;9.14,-38.67,;7.8,-39.43,;9.16,-37.13,;6.43,-29.72,;5.09,-30.5,;3.76,-29.73,;3.76,-28.19,;2.43,-27.42,;5.09,-27.42,;5.08,-24.52,;3.83,-23.62,;2.37,-24.1,;4.3,-22.15,;5.84,-22.15,;6.74,-20.9,;6.32,-23.61,;7.79,-24.08,;6.43,-28.18,;7.89,-27.7,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc(cc1)C(O)=O |r,wD:1.0,(-2.04,6.23,;-1.64,4.75,;-.11,4.91,;.8,3.66,;.17,2.25,;.94,.92,;-1.36,2.09,;-2.26,.85,;-1.87,-.64,;-.38,-1.04,;.02,-2.53,;1.51,-2.93,;1.91,-4.41,;3.39,-4.81,;3.79,-6.3,;5.28,-6.7,;2.7,-7.39,;3.1,-8.88,;1.22,-6.99,;.13,-8.08,;.82,-5.5,;-3.73,1.32,;-5.06,.55,;-6.4,1.32,;-6.4,2.86,;-7.73,3.63,;-5.06,3.63,;-5.06,5.17,;-3.82,6.08,;-2.48,5.31,;-4.29,7.54,;-5.83,7.54,;-6.6,8.88,;-6.31,6.08,;-7.64,5.31,;-3.73,2.86,;-2.26,3.34,;2.34,3.66,;3.11,2.33,;4.65,2.33,;5.47,3.66,;4.65,4.99,;3.11,4.99,;7.01,3.66,;7.78,2.33,;7.78,4.99,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc(c1)C(O)=O |r,wD:1.0,(-1.65,6.23,;-1.25,4.75,;.28,4.91,;1.18,3.66,;.56,2.25,;1.33,.92,;-.97,2.09,;-1.88,.85,;-1.48,-.64,;.01,-1.04,;.41,-2.53,;1.89,-2.93,;2.29,-4.41,;3.78,-4.81,;4.18,-6.3,;5.67,-6.7,;3.09,-7.39,;3.49,-8.88,;1.6,-6.99,;.51,-8.08,;1.2,-5.5,;-3.34,1.32,;-4.68,.55,;-6.01,1.32,;-6.01,2.86,;-7.34,3.63,;-4.68,3.63,;-4.68,5.17,;-3.43,6.08,;-2.1,5.31,;-3.91,7.54,;-5.45,7.54,;-6.22,8.88,;-5.92,6.08,;-7.26,5.31,;-3.34,2.86,;-1.88,3.34,;2.72,3.66,;3.49,4.99,;5.03,4.99,;5.8,3.66,;5.06,2.28,;3.49,2.33,;5.83,.94,;5.06,-.39,;7.37,.95,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2c(cccc12)C(O)=O |r,wD:1.0,(77,-4.92,;77.91,-6.17,;79.44,-6.01,;80.35,-7.25,;79.72,-8.66,;80.62,-9.91,;78.2,-8.82,;77.29,-10.07,;77.27,-11.6,;78.6,-12.39,;78.59,-13.93,;79.91,-14.71,;79.9,-16.25,;81.22,-17.02,;81.21,-18.56,;82.55,-19.34,;79.86,-19.33,;79.85,-20.87,;78.54,-18.54,;77.2,-19.3,;78.55,-17,;75.82,-9.59,;74.49,-10.37,;73.16,-9.6,;73.16,-8.06,;71.82,-7.29,;74.49,-7.29,;74.48,-4.39,;73.23,-3.49,;71.76,-3.97,;73.7,-2.02,;75.24,-2.02,;76.14,-.77,;75.72,-3.48,;77.19,-3.95,;75.82,-8.05,;77.29,-7.57,;81.89,-7.25,;82.64,-5.92,;84.17,-5.91,;84.96,-7.24,;84.2,-8.56,;84.98,-9.87,;84.23,-11.21,;82.69,-11.23,;81.91,-9.91,;82.66,-8.57,;86.52,-9.85,;87.3,-11.18,;87.27,-8.51,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2OCOc12)C(O)=O |r,wD:1.0,(55.68,-4.87,;56.59,-6.12,;58.12,-5.96,;59.03,-7.21,;58.4,-8.61,;59.3,-9.86,;56.88,-8.77,;55.97,-10.02,;55.95,-11.56,;57.28,-12.34,;57.27,-13.88,;58.59,-14.66,;58.58,-16.2,;59.9,-16.98,;59.89,-18.51,;61.23,-19.29,;58.54,-19.28,;58.53,-20.82,;57.22,-18.49,;55.88,-19.25,;57.23,-16.96,;54.5,-9.55,;53.17,-10.33,;51.84,-9.56,;51.84,-8.01,;50.5,-7.24,;53.17,-7.24,;53.16,-4.34,;51.91,-3.44,;50.44,-3.92,;52.38,-1.98,;53.92,-1.97,;54.82,-.72,;54.4,-3.44,;55.87,-3.91,;54.5,-8,;55.97,-7.53,;60.57,-7.2,;61.32,-5.87,;62.85,-5.86,;63.64,-7.2,;62.88,-8.52,;63.36,-9.97,;62.13,-10.88,;60.88,-9.99,;61.34,-8.53,;63.62,-4.52,;62.84,-3.2,;65.16,-4.51,)|
CC(C)=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12 |(3.81,-6.1,;2.48,-6.86,;1.15,-6.08,;2.46,-8.4,;3.8,-9.19,;5.14,-8.43,;3.78,-10.73,;5.1,-11.52,;2.43,-11.49,;1.11,-10.71,;-.21,-11.46,;-.21,-13,;-1.54,-10.69,;-2.88,-11.46,;-4.22,-10.68,;-4.22,-9.14,;-5.55,-11.46,;-6.89,-10.68,;-8.22,-11.46,;-9.55,-10.69,;-8.22,-13.01,;-9.55,-13.78,;-6.89,-13.78,;-6.89,-15.31,;-8.22,-16.08,;-5.56,-16.08,;-5.55,-13.01,;-4.21,-13.77,;-4.21,-15.31,;-2.87,-13,;-1.54,-13.77,;-1.55,-9.16,;-2.88,-8.39,;-.21,-8.39,;-.2,-6.85,;1.13,-9.16,)|
Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccccc1
Cc1c(cnn1CC12CC3CC(CC(C3)C1)C2)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |TLB:14:9:16:12.13.15,14:13:16:10.9.8,THB:12:11:8:14.13.15,12:13:10.11.16:8|
CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CCN(CC6)C
[O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)c(c1)S(F)(=O)=O |r|
CN(CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(-c2ccc(F)cc2)c(c1)S(F)(=O)=O)CC#C |r|
[O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
OC(=O)c1ccc(-c2ccc(F)cc2)c(c1)S(F)(=O)=O
[O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(-c2ccc(F)cc2)c(c1)S(F)(=O)=O |r|
OC(=O)c1ccc(cc1)-c1ccc(F)c(c1)S(F)(=O)=O
[O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1S(F)(=O)=O |r|
CS(=O)(=O)c1cc(ccc1-c1ccc(F)cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
OS(=O)(=O)c1cc(ccc1-c1ccc(F)cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
OC(=O)c1ccc(cc1)-c1ccc(F)cc1S(F)(=O)=O
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NC(CC(O)=O)Cc3cccc4ccccc34)c2c1
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](-[#8])=O |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6@@H](-[#6]-1)-c1ccccc1)-[#6](-[#8])=O |r,t:6|
[#6]-[#8]-[#7](-[#6])-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:8|
[#6]-[#8]-[#7](-[#6])-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-1-c1ccccc1 |r,t:8|
[#6]-[#8]-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:7|
[#6]-[#8]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-1-c1ccccc1 |r,t:7|
[#6]-[#7](-[#8])-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:7|
[#6]-[#7](-[#8])-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-1-c1ccccc1 |r,t:7|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-[#8] |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6@@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-[#8] |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](-[#7])=O |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6@@H](-[#6]-1)-c1ccccc1)-[#6](-[#7])=O |r,t:6|
[#6]-[#7](-[#6])-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:7|
[#6]-[#7](-[#6])-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-1-c1ccccc1 |r,t:7|
[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:11|
[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-1-c1ccccc1 |r,t:11|
[#6]-[#8]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-2-c2ccccc2)cc1 |r,t:13|
[#6]-[#8]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-2-c2ccccc2)cc1 |r,t:13|
[#6]-[#8]-c1ccc(-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-2-c2ccccc2)cc1 |r,t:11|
[#6]-[#8]-c1ccc(-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-2-c2ccccc2)cc1 |r,t:11|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-[#6](-[#8])=O |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6@@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-[#6](-[#8])=O |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-c1ccc(cc1)-[#6](-[#8])=O |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6@@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-c1ccc(cc1)-[#6](-[#8])=O |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-c1ccc(-[#8])cc1 |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6@@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-c1ccc(-[#8])cc1 |r,t:6|
CC1(C)CCCC2=C1C[C@@H]([C@H](C2)c1ccccc1)C(O)=O |r,c:6|
CC1(C)CCCC2=C1C[C@H]([C@@H](C2)c1ccccc1)C(O)=O |r,c:6|
CON(C)C(=O)[C@H]1CC2=C(CCCC2(C)C)C[C@@H]1c1ccccc1 |r,t:8|
CON(C)C(=O)[C@@H]1CC2=C(CCCC2(C)C)C[C@H]1c1ccccc1 |r,t:8|
[H][C@@]1(C[C@]2([H])CC(C)=C[C@@H](\C=C(/C)[C@H]3CC[C@@H](CC3)C(O)=O)[C@@]2(C=C1)C(O)=O)[C@@H](C)CCC=C(C)C |r,wU:28.31,1.0,16.19,wD:3.3,22.27,9.9,13.12,c:7,25,(36.45,-22.49,;36.46,-24.04,;35.13,-23.25,;33.81,-24.03,;33.79,-22.49,;32.48,-23.24,;31.15,-24.03,;29.81,-23.26,;31.15,-25.57,;32.48,-26.32,;31.37,-27.42,;29.88,-27.01,;29.5,-25.52,;28.79,-28.09,;27.31,-27.67,;26.22,-28.75,;26.6,-30.24,;28.08,-30.65,;29.19,-29.57,;25.49,-31.32,;24.01,-30.9,;25.87,-32.82,;33.8,-25.57,;35.11,-26.33,;36.45,-25.58,;33.78,-27.1,;32.44,-27.85,;35.1,-27.88,;37.8,-23.27,;37.81,-21.73,;39.13,-24.05,;40.47,-23.28,;41.8,-24.07,;43.14,-23.3,;44.47,-24.08,;43.15,-21.76,)|
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)N=[N+]=[N-]
CC1(C)CCN(CC1)c1ccc(cc1)C(S)=O
CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
ONC(=O)c1ccc(CNC(=O)c2ccc(cc2)-c2csc(n2)N2N=C(\C(=N\Nc3nccs3)C2=O)c2ccccc2)cc1 |c:26|
O=C1N(N=C(\C1=N\Nc1nccs1)c1ccccc1)c1nc(cs1)-c1ccccc1 |c:3|
CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O
Brc1ccc(Sc2ccc3C(C#N)=C(C#N)C(=O)c4cccc2c34)cc1 |t:12|
OC(=O)c1ccc(CNC(=O)CCNC2=C(C#N)C(=O)c3cccc4c(Sc5ccc(Br)cc5)ccc2c34)cc1 |c:14|
Brc1ccc(Sc2ccc3C(NCCC(=O)NCc4ccccc4)=C(C#N)C(=O)c4cccc2c34)cc1 |t:24|
CCCCNC1=C(C#N)C(=O)c2cccc3c(Sc4ccc(Br)cc4)ccc1c23 |c:5|
OC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1cccc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
COC12CC3CC(CC(Cn4ncc(c4C)-c4ccc(nc4C(O)=O)N4CCc5cccc(C(=O)Nc6nc7ccccc7s6)c5C4)(C3)C1)C2 |TLB:1:2:5.4.47:7,5:6:4.3.47:48,THB:5:4:6.49.7:48,3:4:7:49.2.48,3:2:5.4.47:7|
[H][C@]12CS[C@@H](CCCCCC(=O)NC(=O)C(CNC(=O)C(NC3=NS(=O)(=O)c4ccccc34)C(C)C)NC(=O)C3(CC3)NC(=O)COc3ccccc3-c3n[nH]c4ccc(Cl)cc34)[C@@]1([H])NC(=O)N2 |r,t:22|
Cc1cccc(c1)-c1cn(CCCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
OC(=O)c1ccccc1-c1cccc2n(CCCOc3cccc4ccccc34)cc(-c3cccc(c3)C(F)(F)F)c12
OC(=O)c1ccc(Cl)cc1-c1cccc2n(CCCOc3cccc4ccccc34)ccc12
Cc1cccc(c1)-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
OC(=O)c1ccccc1-c1cccc2n(CCOc3cccc4ccccc34)cc(-c3cccc(c3)C(F)(F)F)c12
OC(=O)c1ccccc1-c1cccc2n(CCOc3cccc4ccccc34)cc(-c3cccc(Cl)c3)c12
Cc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
Cc1ccc(cc1)-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
CCc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
CC(C)c1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
COc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
Cc1cccc(-c2cn(CCOc3cccc4ccccc34)c3cccc(-c4ccccc4C(O)=O)c23)c1C
Cc1ccc(cc1)-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
Cc1cccc(c1)-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
Cc1ccccc1-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
COc1ccccc1-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
OC(=O)c1ccccc1-c1cccc2n(Cc3cccc4ccccc34)cc(-c3cccc(Cl)c3)c12
OC(=O)c1ccccc1-c1cccc2n(Cc3cccc4ccccc34)cc(-c3cccc(c3)C(F)(F)F)c12
COc1cccc(c1)-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
OC(=O)c1ccccc1-c1cccc2n(Cc3cccc4ccccc34)cc(-c3ccccc3)c12
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1C(F)(F)F |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(cc1)C(F)(F)F |c:57|
COc1ccc(cc1)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:9|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccccc1C(F)(F)F |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(c(Cl)c1)C(F)(F)F |c:57|
CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(cc2)C(F)(F)F)CC1 |t:47|
CCN(CC)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(cc2)C(F)(F)F)CC1 |t:49|
CN1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(cc3)C(F)(F)F)CC2)C1 |t:47|
CC(C)C(=O)N1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(cc3)C(F)(F)F)CC2)CC1 |t:51|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(cc1)C(F)(F)F |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCOC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(cc1)C(F)(F)F |c:55|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(cc1)C(F)(F)F |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(cc1)C(F)(F)F |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(cc1)C(F)(F)F |c:56|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCCOC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(cc1)C(F)(F)F |c:57|
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCSCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(cc1)C(F)(F)F |c:57|
CC(Oc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(cc2)C(F)(F)F)CC1)C1CCOCC1 |t:43|
CN1CCC(COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(cc3)C(F)(F)F)CC2)C1 |t:47|
CCN1CCC(COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(cc3)C(F)(F)F)CC2)CC1 |t:48|
CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1cccc2ccccc12)C(=O)N(C(C)C)C(C)C)C(O)=O
COC(=O)[C@@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)c1ccccc1
CC(C)CC(NC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(O)=O)c(Oc2cccc3ccccc23)c1)C(O)=O
CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)C(C(C)C)C(O)=O)C(O)=O
CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)C(C)C(O)=O)C(O)=O
CC(C)CC(NC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(O)=O)c(Oc2ccccc2)c1)C(O)=O
CC(=O)c1ccc(cc1)S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C
Oc1ccc(Oc2ccccc2-c2ccc(s2)S(=O)(=O)NCCNC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1O
Oc1ccc(Oc2ccccc2-c2ccc(s2)S(=O)(=O)NCCNC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1O
Oc1ccc(Oc2ccccc2-c2ccc(s2)S(=O)(=O)NCCNC(=O)Nc2cc(Cl)cc(Cl)c2)cc1O
Oc1ccc(Oc2ccccc2-c2csc(c2)S(=O)(=O)NCCNC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1O
Oc1ccc(Oc2ccccc2-c2csc(c2)S(=O)(=O)NCCNC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1O
Oc1ccc(Oc2ccccc2-c2csc(c2)S(=O)(=O)NCCNC(=O)Nc2cc(Cl)cc(Cl)c2)cc1O
CC(C)c1ccc(Oc2ccc(O)c(O)c2)c(c1)-c1ccsc1S(=O)(=O)NCCNC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CN1CCN(CCOc2ccc(-c3c(sc4cccc(OC(Cc5ccccc5OCc5ccnn5CC(F)(F)F)C(O)=O)c34)-c3ccc(F)o3)c(C)c2Cl)CC1 |(24.77,-9.63,;23.27,-9.95,;22.79,-11.42,;21.3,-11.74,;20.26,-10.6,;18.75,-10.93,;18.29,-12.39,;16.78,-12.73,;16.32,-14.19,;14.81,-14.53,;14.35,-15.99,;15.38,-17.13,;14.91,-18.59,;15.83,-19.83,;14.93,-21.08,;13.46,-20.61,;12.12,-21.39,;10.78,-20.62,;10.78,-19.08,;12.11,-18.31,;12.11,-16.77,;10.77,-16,;10.77,-14.46,;9.43,-13.7,;8.11,-14.48,;6.77,-13.72,;6.76,-12.17,;8.1,-11.4,;9.43,-12.16,;10.76,-11.39,;10.76,-9.85,;9.43,-9.08,;8.02,-9.71,;6.99,-8.57,;7.76,-7.23,;9.27,-7.55,;10.41,-6.52,;11.87,-6.99,;12.96,-8.08,;11.47,-8.48,;13.02,-5.96,;9.44,-16.78,;8.1,-16.01,;9.44,-18.32,;13.45,-19.07,;17.37,-19.82,;18.27,-18.57,;19.73,-19.03,;19.74,-20.57,;21,-21.47,;18.28,-21.06,;16.89,-16.8,;17.92,-17.94,;17.36,-15.33,;18.86,-15.01,;20.72,-9.14,;22.23,-8.81,)|
OC(=O)CCc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Cc1c-2c(CSCc3cc(CSc4cc(OCCCc5c(C(O)=O)n(C)c6c-2c(Cl)ccc56)c2ccccc2c4)n(C)n3)nn1C
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCC(=O)N1CCN(CC[C@H](CSc2ccccc2)Nc2cc(ccc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(CC3=C(CCC(C)(C)C3)c3ccc(Cl)cc3)CC2)CC1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,t:74|
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC[C@@]1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,t:34|
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC[C@]1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,t:34|
CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1 |(-21.22,-16.71,;-19.99,-16.7,;-19.36,-17.76,;-19.23,-15.36,;-19.85,-14.3,;-20.46,-15.37,;-17.68,-15.35,;-16.91,-16.68,;-15.37,-16.67,;-14.6,-15.33,;-15.38,-14,;-16.92,-14.01,;-13.06,-15.32,;-12.28,-16.64,;-10.74,-16.63,;-9.98,-15.29,;-8.44,-15.28,;-7.69,-13.93,;-6.15,-13.92,;-5.26,-12.68,;-3.79,-13.11,;-2.81,-12.36,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,;-10.76,-13.96,;-12.3,-13.98,)|
CN1CCN(CCOc2ccc(-c3c(sc4ncnc(O[C@H](Cc5ccccc5OCc5ccnn5CC(F)(F)F)C(O)=O)c34)-c3ccc(F)o3)c(C)c2Cl)CC1 |r,wD:21.21,(19.44,-4.89,;18.41,-6.03,;18.89,-7.5,;17.87,-8.64,;16.35,-8.32,;15.33,-9.47,;15.81,-10.94,;14.78,-12.09,;15.27,-13.55,;16.78,-13.86,;17.26,-15.32,;16.23,-16.47,;16.71,-17.93,;15.81,-19.18,;16.72,-20.42,;18.18,-19.94,;19.51,-20.71,;20.85,-19.94,;20.85,-18.39,;19.51,-17.62,;19.51,-16.08,;20.84,-15.31,;20.83,-13.77,;22.16,-13,;23.49,-13.77,;24.82,-12.99,;24.82,-11.45,;23.47,-10.69,;22.15,-11.46,;20.81,-10.71,;20.79,-9.17,;22.12,-8.38,;23.53,-9,;24.55,-7.84,;23.76,-6.51,;22.26,-6.85,;21.1,-5.83,;21.09,-4.29,;22.42,-3.51,;19.76,-3.52,;21.09,-2.75,;22.17,-16.08,;23.5,-15.3,;22.18,-17.62,;18.17,-18.4,;14.27,-19.19,;13.36,-17.95,;11.89,-18.43,;11.9,-19.97,;10.66,-20.88,;13.37,-20.44,;14.73,-16.16,;13.7,-17.31,;14.24,-14.71,;12.73,-14.4,;15.87,-6.87,;16.9,-5.72,)|
CO[C@]1(CN2CCN3CCCC[C@@H]3C2)\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:16|
Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(cc3[nH]c2C(=O)O)Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(N4CCOCC4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccco4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4ccco4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccn(C)n4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4cccnc4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4cccnc4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccncc4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4ccncc4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(c3)N3CCOCC3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCc4ccco4)c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCCc4ccco4)c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCc4ccn(C)n4)c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCc4cccnc4)c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCCc4cccnc4)c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCc4ccncc4)c3)[N+]([O-])=O)cc2)cc(C)c1Cl
CC(C)n1c(C)c(c(c1-c1ccc(Cl)cc1)-c1cc(F)cc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(CC3)C(=O)OCCCP(O)(O)=O)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1)S(C)(=O)=O
CCN(CC)C[C@@H](O)CNc1ccc(NC[C@H]2CO2)c2C(=O)c3ccccc3C(=O)c12 |r|
CN1CCN(CCOc2ccc(-c3c(sc4ncnc(O[C@H](Cc5ccccc5OCc5ccnn5CC(F)(F)F)C(O)=O)c34)-c3ccco3)c(C)c2Cl)CC1 |r,wU:21.21,(9.12,2.97,;7.64,2.57,;6.55,3.66,;5.06,3.26,;4.66,1.78,;3.17,1.38,;2.08,2.47,;.6,2.07,;.2,.58,;-1.29,.18,;-1.69,-1.3,;-.6,-2.39,;-1,-3.88,;-.09,-5.12,;-1,-6.37,;-2.46,-5.89,;-3.79,-6.66,;-5.13,-5.9,;-5.13,-4.35,;-3.79,-3.58,;-3.79,-2.04,;-5.13,-1.27,;-5.13,.27,;-6.46,1.04,;-7.79,.27,;-9.12,1.03,;-9.12,2.57,;-7.8,3.34,;-6.46,2.58,;-5.13,3.35,;-3.79,2.58,;-2.46,3.35,;-1.05,2.73,;-.02,3.87,;-.79,5.2,;-2.3,4.88,;-3.39,5.97,;-4.87,5.57,;-5.96,6.66,;-5.96,4.48,;-4.48,4.09,;-6.46,-2.04,;-7.79,-1.27,;-6.46,-3.58,;-2.46,-4.35,;1.45,-5.12,;2.35,-3.88,;3.81,-4.35,;3.81,-5.89,;2.35,-6.37,;.89,-1.99,;1.98,-3.08,;1.28,-.5,;2.77,-.1,;5.75,.69,;7.24,1.09,)|
CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O
COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCCCN)CSc2ccccc2)c(c1)[N+]([O-])=O
COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCCCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
CN(C)CCC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1
COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@@H](CSc2ccccc2)CC(=O)N(C)C)c(c1)[N+]([O-])=O
CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCCCN)CSc2ccccc2)c(c1)[N+]([O-])=O
COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O
COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
CN(C)CCCC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1
COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
CN(C)C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
CN(C)CC[C@@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1
CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O
CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1
COc1cc(CCC(=O)N2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
COc1cc(CCCO)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCOCC1
COc1cc(CCCN(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
COc1cc(CN(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCNCC1
COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
CC(=O)N1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
COc1cc(CCC(=O)N(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1
COc1cc(CCN(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
COc1cc(ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O)C(=O)N(C)C
COc1cc(CC(=O)N(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
CC(C)CN(c1ccc(O)c(c1)C(O)=O)S(=O)(=O)c1ccccc1
CC(C)CN(c1ccc(O)c(c1)C(O)=O)S(=O)(=O)c1ccc2ccccc2c1
CC(C)CN(c1ccc(O)c(c1)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1
CC(C)CN(c1ccc(O)c(c1)C(O)=O)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1
CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccccc1
CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc2ccccc2c1
CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1
Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(C2CCCC2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl
Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl
Cc1cc(Oc2ccc(cc2)S(=O)(=O)N2CC(Cc3ccccc23)C(O)=O)cc(C)c1Cl
Cc1cc(Oc2ccc(cc2)S(=O)(=O)N2CCCc3cc(ccc23)C(O)=O)cc(C)c1Cl
CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(/N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(/N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(/N)N)C(O)=O
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
CCCCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
C[C@@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |r,wU:1.0,wD:30.32,(19.56,-.32,;20.34,-1.65,;21.88,-1.63,;22.64,-.3,;24.18,-.29,;24.96,-1.61,;24.94,1.05,;24.16,2.37,;22.62,2.36,;24.91,3.71,;24.13,5.04,;26.46,3.73,;27.24,2.4,;28.76,2.41,;29.52,3.75,;29.54,1.1,;28.79,-.25,;29.56,-1.58,;27.25,-.26,;26.48,1.07,;31.08,1.1,;31.86,-.23,;31.1,-1.56,;33.4,-.21,;34.16,1.14,;35.7,1.15,;36.49,-.17,;35.73,-1.51,;38.03,-.15,;38.81,-1.47,;40.35,-1.45,;41.11,-.11,;41.14,-2.78,;40.38,-4.11,;41.17,-5.44,;42.71,-5.42,;43.46,-4.07,;42.68,-2.75,;36.45,2.5,;37.99,2.53,;35.65,3.83,;36.4,5.18,;34.12,3.8,;33.37,2.47,;31.83,2.44,;31.05,3.76,;19.58,-2.99,;18.04,-3,;17.27,-4.33,;18.05,-5.67,;19.59,-5.66,;20.36,-4.32,)|
CC(C)C1=C(O)C(O)=CC2C1C(=O)C(C)=C(C2=O)C1=C(C)C(=O)c2c(cc(O)c(O)c2C(C)C)C1=O |c:3,7,15,20|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c3-[#8][C@@]45[#6@H]6-[#6]-[#6@@H](-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-[#6](=O)[C@]5([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C6([#6])[#6] |r,c:22,33,TLB:22:21:18:42.43,THB:33:32:18:42.43,43:19:23.22:34.32|
CCSCCCCC(c1ccc(O)cc1)C(C)(CC)c1ccc(O)cc1
CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(cc12)-c1ccc(cc1)C(C)(C)C
CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(cc12)C1CCCC1
CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccccc12
CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(cc12)-c1ccccc1
CCCc1ccc2OC(=N)C(C(C(C#N)C(=O)OCC)c2c1)C(=O)OCC
CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(C)cc12
CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(CC)cc12
CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
[H][C@@]12CN(CCN1CC1=C(CC(C)(C)C[C@@]1([H])OCCCOC2)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CO3)c(c2)[N+]([O-])=O)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,t:9|
[H][C@@]12CN(CCN1CC1=C(CC(C)(C)C[C@@]1([H])OCCCOC2)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3COCCO3)c(c2)[N+]([O-])=O)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,t:9|
[H][C@@]12CN(CCN1CC1=C(CC(C)(C)C[C@@]1([H])OCCCOC2)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3(O)CCOCC3)c(c2)[N+]([O-])=O)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,t:9|
[H][C@@]12CN(CCN1CC1=C(CC(C)(C)C[C@@]1([H])OCCCOC2)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3(CCOCC3)OC)c(c2)[N+]([O-])=O)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,t:9|
[H][C@@]12CN(CCN1CC1=C(CC(C)(C)C[C@@]1([H])OCCCOC2)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2ccc(N[C@H]3C[C@@H](C3)OC)c(c2)[N+]([O-])=O)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,wU:47.53,15.17,wD:45.48,1.0,t:9,(-.08,-3.66,;-1.41,-4.43,;-1.41,-2.89,;-2.75,-2.12,;-4.08,-2.89,;-4.08,-4.43,;-2.75,-5.2,;-3.31,-6.63,;-2.35,-7.84,;-2.92,-9.27,;-1.96,-10.48,;-.44,-10.25,;-.04,-11.74,;1.05,-10.65,;.13,-8.82,;-.83,-7.61,;-1.57,-6.26,;-.08,-6.74,;1.25,-7.51,;2.59,-6.74,;2.59,-5.2,;1.25,-4.43,;-.08,-5.2,;-4.41,-9.67,;-4.81,-11.16,;-6.29,-11.55,;-7.38,-10.47,;-8.87,-10.86,;-6.99,-8.98,;-5.5,-8.58,;-2.75,-.58,;-1.42,.19,;-1.42,1.73,;-2.75,2.5,;-2.75,4.04,;-4.08,4.81,;-1.42,4.81,;-1.42,6.35,;-2.19,7.69,;-2.96,6.35,;-.08,7.12,;1.25,6.35,;2.58,7.12,;2.58,8.66,;3.92,9.43,;5.25,8.66,;5.65,7.17,;7.16,7.58,;6.77,9.07,;8.5,6.81,;9.83,7.58,;1.25,9.43,;-.08,8.66,;1.25,10.97,;2.58,11.74,;-.08,11.74,;-4.08,1.73,;-4.08,.19,;-5.42,2.5,;-5.3,4.04,;-6.43,5.08,;-7.95,4.85,;-8.72,3.52,;-8.16,2.09,;-9.29,1.04,;-8.95,-.46,;-9.83,-1.72,;-8.91,-2.95,;-7.47,-2.46,;-7.47,-.92,;-6.35,.13,;-6.69,1.63,)|
[H][C@@]12CN(CCN1CC1=C(CC(C)(C)C[C@@]1([H])OCCCOC2)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@@](C)(O)CC3)c(c2)[N+]([O-])=O)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,wU:46.49,49.54,15.17,wD:1.0,t:9,(-.56,-3.94,;-1.9,-4.71,;-1.9,-3.17,;-3.23,-2.4,;-4.56,-3.17,;-4.56,-4.71,;-3.23,-5.48,;-3.79,-6.92,;-2.84,-8.12,;-3.4,-9.55,;-2.44,-10.76,;-.92,-10.53,;-.52,-12.02,;.57,-10.93,;-.35,-9.1,;-1.31,-7.89,;-2.06,-6.54,;-.56,-7.02,;.77,-7.79,;2.11,-7.02,;2.11,-5.48,;.77,-4.71,;-.56,-5.48,;-4.89,-9.95,;-5.29,-11.44,;-6.77,-11.84,;-7.86,-10.75,;-9.35,-11.15,;-7.47,-9.27,;-5.98,-8.86,;-3.23,-.86,;-1.9,-.09,;-1.9,1.45,;-3.23,2.22,;-3.23,3.76,;-4.56,4.53,;-1.9,4.53,;-1.9,6.07,;-2.67,7.4,;-3.44,6.07,;-.56,6.84,;.77,6.07,;2.1,6.84,;2.1,8.38,;3.44,9.15,;4.77,8.38,;6.1,9.15,;6.1,10.69,;7.44,11.46,;8.77,10.69,;9.54,12.02,;10.31,10.69,;8.77,9.15,;7.44,8.38,;.77,9.15,;-.56,8.38,;.77,10.69,;2.1,11.46,;-.56,11.46,;-4.56,1.45,;-4.56,-.09,;-5.9,2.22,;-5.78,3.75,;-6.91,4.8,;-8.44,4.57,;-9.2,3.24,;-8.64,1.8,;-9.77,.76,;-9.43,-.75,;-10.31,-2,;-9.39,-3.24,;-7.96,-2.74,;-7.96,-1.2,;-6.83,-.15,;-7.17,1.35,)|
[H][C@@]12CN(CCN1CC1=C(CC(C)(C)C[C@@]1([H])OCCCOC2)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(Cl)c2)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,wU:46.49,15.17,wD:49.54,1.0,t:9,(-.56,-3.94,;-1.9,-4.71,;-1.9,-3.17,;-3.23,-2.4,;-4.56,-3.17,;-4.56,-4.71,;-3.23,-5.48,;-3.79,-6.92,;-2.84,-8.12,;-3.4,-9.55,;-2.44,-10.76,;-.92,-10.53,;-.52,-12.02,;.57,-10.93,;-.35,-9.1,;-1.31,-7.89,;-2.06,-6.54,;-.56,-7.02,;.77,-7.79,;2.11,-7.02,;2.11,-5.48,;.77,-4.71,;-.56,-5.48,;-4.89,-9.95,;-5.29,-11.44,;-6.77,-11.84,;-7.86,-10.75,;-9.35,-11.15,;-7.47,-9.27,;-5.98,-8.86,;-3.23,-.86,;-1.9,-.09,;-1.9,1.45,;-3.23,2.22,;-3.23,3.76,;-4.56,4.53,;-1.9,4.53,;-1.9,6.07,;-2.67,7.4,;-3.44,6.07,;-.56,6.84,;.77,6.07,;2.1,6.84,;2.1,8.38,;3.44,9.15,;4.77,8.38,;6.1,9.15,;6.1,10.69,;7.44,11.46,;8.77,10.69,;9.54,12.02,;10.31,10.69,;8.77,9.15,;7.44,8.38,;.77,9.15,;.77,10.69,;-.56,8.38,;-4.56,1.45,;-4.56,-.09,;-5.9,2.22,;-5.78,3.75,;-6.91,4.8,;-8.44,4.57,;-9.21,3.24,;-8.64,1.8,;-9.77,.76,;-9.43,-.75,;-10.31,-2,;-9.39,-3.24,;-7.96,-2.74,;-7.96,-1.2,;-6.83,-.15,;-7.17,1.35,)|
[H][C@@]12CN(CCN1CC1=C(CC(C)(C)C[C@@]1([H])OCCCOC2)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3C[C@@](F)(COC)C3)c(c2)[N+]([O-])=O)c(c1)N1CCCOc2nc3[nH]ccc3cc12 |r,wU:48.52,15.17,wD:1.0,t:9,(-1.43,-3.79,;-2.77,-4.56,;-2.77,-3.02,;-4.1,-2.25,;-5.43,-3.02,;-5.43,-4.56,;-4.1,-5.33,;-4.66,-6.77,;-3.7,-7.97,;-4.27,-9.41,;-3.31,-10.61,;-1.79,-10.38,;-.3,-10.78,;-1.39,-11.87,;-1.22,-8.95,;-2.18,-7.74,;-2.93,-6.4,;-1.43,-6.87,;-.1,-7.64,;1.24,-6.87,;1.24,-5.33,;-.1,-4.56,;-1.43,-5.33,;-5.76,-9.8,;-6.85,-8.71,;-8.34,-9.12,;-8.73,-10.6,;-10.22,-11,;-7.64,-11.69,;-6.16,-11.29,;-4.1,-.71,;-2.77,.06,;-2.77,1.6,;-4.1,2.37,;-4.1,3.91,;-5.43,4.68,;-2.77,4.68,;-2.77,6.22,;-4.31,6.22,;-3.54,7.55,;-1.43,6.99,;-.1,6.22,;1.23,6.99,;1.23,8.53,;2.57,9.3,;3.9,8.53,;5.23,9.3,;6.72,8.9,;7.12,10.39,;7.52,11.87,;8.61,9.99,;9.7,11.08,;11.18,10.68,;5.63,10.78,;-.1,9.3,;-1.43,8.53,;-.1,10.84,;1.23,11.61,;-1.43,11.61,;-5.43,1.6,;-5.43,.06,;-6.77,2.37,;-6.65,3.9,;-7.78,4.95,;-9.3,4.72,;-10.07,3.39,;-9.51,1.95,;-10.64,.9,;-10.3,-.6,;-11.18,-1.86,;-10.26,-3.09,;-8.83,-2.59,;-8.83,-1.05,;-7.7,-0,;-8.04,1.5,)|
COCCOCCn1nc(C)c2c1CSCc1cc(n(C)n1)CCc1cc(c3ccccc3c1)OCCCn1c(C(=O)O)c(C)c3c-2c(Cl)ccc31
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1c1cccc(Cl)c1
O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3ccccc3)cc2)cc1Oc1cnc2[nH]ccc2c1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC1c1ccccc1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCC(C1)c1ccccc1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1c1cccnc1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1C1CCCCC1
O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3ccccc3F)cc2)cc1Oc1cnc2[nH]ccc2c1
CCc1ccccc1C1CCCN1c1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c([N+](=O)[O-])c3)c(Oc3cnc4[nH]ccc4c3)c2)cc1
CC(C)(C)c1ccccc1C1CCCN1c1ccc(cc1)-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3ccccc3C3CCCC3)cc2)cc1Oc1cnc2[nH]ccc2c1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1c1ccccc1C1CCCCC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CCCC1Cc1ccccc1C1CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(N2CCCC2c2ccccc2C2CC2)c(F)c1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1Cl)N1CCCC1c1ccccc1C1CC1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(CN2CCCC2c2ccccc2C2CC2)cc1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(CN2CCCC2c2ccccc2C2CC2)o1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1cccc(CN2CCCC2c2ccccc2C2CC2)c1
O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(CCN3CCCC3c3ccccc3C3CC3)cc2)cc1Oc1cnc2[nH]ccc2c1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(Cc2ccc(CN3CCCC3c3ccccc3C3CC3)cc2)cc1Oc1cnc2[nH]ccc2c1
O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cc2ccc(N3CCCC3c3ccccc3C3CC3)cc2)cc1Oc1cnc2[nH]ccc2c1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)-c1ccc(cc1)N1CC(C1)N1CCCC1c1ccccc1C1CC1
O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(C2CCC(N3CCCC3c3ccccc3C3CC3)CC2)cc1Oc1cnc2[nH]ccc2c1
O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(C2=CCC(N3CCCC3c3ccccc3C3CC3)CC2)cc1Oc1cnc2[nH]ccc2c1
O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(C2=CCC(CN3CCCC3c3ccccc3C3CC3)CC2)cc1Oc1cnc2[nH]ccc2c1
O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC3(CC2)CC(N2CCCC2c2ccccc2C2CC2)C3)cc1Oc1cnc2[nH]ccc2c1
O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CC3(CC(N4CCCC4c4ccccc4C4CC4)C3)C2)cc1Oc1cnc2[nH]ccc2c1
O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC3(CC2)CC(CN2CCCC2c2ccccc2C2CC2)C3)cc1Oc1cnc2[nH]ccc2c1
O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC(C3CC(N4CCCC4c4ccccc4C4CC4)C3)CC2)cc1Oc1cnc2[nH]ccc2c1
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CC(C1)N1CC(C1)N1CCCC1c1ccccc1C1CC1
O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CC3CC(N4CCC[C@H]4c4ccccc4C4CC4)CC3C2)cc1Oc1cnc2[nH]ccc2c1
O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC3(CC2)CC(N2CCC[C@H]2c2ccccc2C2CCC2)C3)cc1Oc1cnc2[nH]ccc2c1
COCc1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1
O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC3(CC2)CC(N2CCC[C@H]2c2ccccc2N2CCCC2)C3)cc1Oc1cnc2[nH]ccc2c1
CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CC6COCC6C5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1
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COCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@H]1N2c1nc(c(s1)-c1ccccc1)-c1ccc(Cl)cc1 |r|
OC[C@@H]1[C@H]2Cn3c(cccc3=O)[C@@H]([C@H]1C(=O)NCCCN1CCCC1)N2c1nc(c(s1)-c1ccccc1)-c1ccc(Cl)cc1 |r|
OC[C@H]1[C@@H]2Cn3c(cccc3=O)[C@H]([C@@H]1C(=O)NCCCN1CCCC1)N2c1nc(c(s1)-c1ccccc1)-c1ccc(Cl)cc1 |r|
OC[C@@H]1[C@H]2Cn3c(cccc3=O)[C@@H]([C@H]1C(=O)NCCN1CCCCC1)N2c1nc(c(s1)-c1ccccc1)-c1ccc(Cl)cc1 |r|
OC[C@H]1[C@@H]2Cn3c(cccc3=O)[C@H]([C@@H]1C(=O)NCCN1CCCCC1)N2c1nc(c(s1)-c1ccccc1)-c1ccc(Cl)cc1 |r|
CN(C)CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2c1nc(c(s1)-c1ccccc1)-c1ccc(Cl)cc1 |r|
CN(C)CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@H]1N2c1nc(c(s1)-c1ccccc1)-c1ccc(Cl)cc1 |r|
C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]3(O)OC4=C(C)C(=O)C(=O)C([C@H](O2)[C@H](C)[C@H]1O)C4=C3 |r,c:7,19,36|
C[C@@H]1[C@H](O)[C@@H](C)[C@H]2O[C@@H]1CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)C(=O)C(O)C1=C2C(=O)C(=O)C(C)C1=O |r,c:14,27|
C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]34OC5=C(C)C(=O)C(=O)C([C@H](O2)[C@H](C)[C@H]1O)=C5[C@H]3OC1(CCN(C)CC1)O4 |r,c:7,18,33|
C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]34OC5=C(C)C(=O)C(=O)C([C@H](O2)[C@H](C)[C@H]1O)=C5[C@H]3OC(C)(C)O4 |r,c:7,18,33|
C[C@H](CCC=C(C)C)[C@@H]1C[C@H]2CC(C)=C[C@H](\C=C(/C)C3CCC(CC3)C(O)=O)[C@]2(C=C1)C(O)=O |r,wU:10.9,1.0,wD:8.7,15.15,28.33,c:13,31,(.38,-9.24,;.38,-7.7,;1.72,-6.94,;3.05,-7.71,;4.39,-6.94,;5.72,-7.71,;7.05,-6.94,;5.72,-9.25,;-.95,-6.93,;-2.28,-7.7,;-3.61,-6.93,;-4.95,-7.7,;-6.28,-6.93,;-7.62,-7.69,;-6.28,-5.39,;-4.94,-4.62,;-4.94,-3.08,;-6.28,-2.31,;-7.61,-3.08,;-6.28,-.77,;-7.61,-.01,;-7.61,1.53,;-6.28,2.31,;-4.95,1.53,;-4.95,-.01,;-6.28,3.85,;-4.95,4.61,;-7.62,4.61,;-3.61,-5.39,;-2.28,-4.62,;-.95,-5.39,;-3.21,-3.9,;-1.78,-3.31,;-4.43,-2.95,)|
C[C@H](CCC=C(C)C)[C@@H]1C[C@H]2CC(C)=C[C@@H](\C=C(/C)C3CCC(CC3)C(O)=O)[C@]2(C=C1)C(O)=O |r,wU:10.9,1.0,15.15,wD:8.7,28.33,c:13,31,(20.71,-9.08,;20.71,-7.54,;22.05,-6.77,;23.38,-7.54,;24.72,-6.78,;26.05,-7.55,;27.38,-6.78,;26.05,-9.09,;19.38,-6.77,;18.05,-7.53,;16.72,-6.77,;15.38,-7.54,;14.05,-6.76,;12.71,-7.53,;14.05,-5.23,;15.39,-4.46,;15.39,-2.92,;14.05,-2.15,;12.72,-2.92,;14.05,-.61,;12.72,.16,;12.72,1.7,;14.05,2.47,;15.38,1.7,;15.38,.16,;14.05,4.01,;15.38,4.78,;12.72,4.78,;16.72,-5.23,;18.05,-4.45,;19.38,-5.23,;17.12,-3.73,;18.61,-3.33,;16.02,-2.64,)|
[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@@H]1-[#6]C([#6])([#6])[#6]-[#6@@H]2-[#6]3=[#6]-[#6]-[#6@@H]4[C@@]5([#6])[#6]-[#6]-[#6](=O)[C@]([#6])([#6]-[#8])[#6@@H]5-[#6]-[#6][C@@]4([#6])[C@]3([#6])[#6]-[#6][C@@]12[#6](-[#8])=O |r,t:14|
C[C@@H]1O[C@@H](O[C@H]2C[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@H]3CC[C@]4(C)[C@H](CC=C5[C@H]6C[C@@](C)(CC[C@]6(C)CC[C@@]45C)C(O)=O)[C@@]23C)[C@H](O)[C@H](O)[C@H]1O |r,t:26|
C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O |r,t:14|
C[C@@H]1O[C@@H](OC[C@]2(C)[C@@H](O)C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)[C@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O |r,t:24|
CC(=O)OC[C@]1(C)[C@H](C[C@H](O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(C)=O |r,t:22|
COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@@H](O)C[C@H](O)[C@@](C)(COC(C)=O)[C@@H]5CC[C@@]34C)[C@H]2C1 |r,c:14|
C[C@@H]1O[C@@H](OC[C@]2(C)[C@H](C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)OC(C)=O)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r,t:23|
C[C@@H]1O[C@@H](OC[C@]2(C)[C@H](C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)OC(C)=O)[C@H](O)[C@H](O)[C@H]1OC(C)=O |r,t:23|
COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(COC(C)=O)[C@@H](O)C[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@]43C)[C@H]2C1 |r,c:14|
C[C@@H]1O[C@@H](OC[C@]2(C)[C@@H](O)C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)[C@H](O)[C@H](O)[C@H]1O |r,t:24|
COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(COC(C)=O)[C@H](C[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@]43C)OC(C)=O)[C@H]2C1 |r,c:14|
COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(CO[C@@H]5O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]5O)[C@H](C[C@H](O)[C@]43C)OC(C)=O)[C@H]2C1 |r,c:14|
C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O |r,t:14|
[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@@H]1-[#6]C([#6])([#6])[#6]-[#6@@H]2-[#6]3=[#6]-[#6]-[#6@@H]4[C@@]5([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@@H]5-[#6]-[#6][C@@]4([#6])[C@]3([#6])[#6]-[#6][C@@]12[#6](-[#8])=O |r,t:14|
COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r|
COc1ccc(cc1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r|
Oc1ccccc1-c1ccccc1
c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
Oc1cc(Cc2ccccc2)c(Cc2ccccc2)cc1O
COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
COc1ccc(cc1)C1C2=C(N=c3s\c(=C/c4ccc(OCc5cccc(c5)C(O)=O)c(OC)c4)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc(F)c4)n3c2=O)o1 |t:17,19|
COc1ccc(cc1)C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
COc1cccc(c1)C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
CCOC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccccc4OC)n3c2=O)c1 |t:15,17|
COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccccc4OCC(O)=O)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccc(OCC(O)=O)cc4)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccc(\C=C\C(O)=O)cc4)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccc(cc4)C(O)=O)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccc(cc4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
OC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccccc4)n3c2=O)c1 |t:13,15|
OC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc(F)c4)n3c2=O)c1 |t:13,15|
OC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc5ccccc45)n3c2=O)c1 |t:13,15|
OC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccco4)n3c2=O)c1 |t:13,15|
COC1CC2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n3C2c2ccccc2OC)c2ccccc12 |t:4,6|
COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccc(OCc3ccccc3)cc1CC2 |c:10,t:12|
COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccc(OC(=O)c3ccccc3-c3ccccc3)cc1CC2 |c:10,t:12|
OC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCC\C4=C/c4cccc(F)c4)C(c4cccc(F)c4)n3c2=O)c1 |t:13,15|
COc1ccccc1C1C=C(N=c2s\c(=C/c3cccc(OCC(O)=O)c3)c(=O)n12)c1ccccc1 |c:10,t:12|
OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccccc4)n3c2=O)o1 |t:17,19|
OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccccc4F)n3c2=O)o1 |t:17,19|
OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccc(F)cc4)n3c2=O)o1 |t:17,19|
OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc(c4)[N+]([O-])=O)n3c2=O)o1 |t:17,19|
OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc5ccccc45)n3c2=O)o1 |t:17,19|
OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccco4)n3c2=O)o1 |t:17,19|
COC1CC2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n3C2c2cccc(F)c2)c2ccccc12 |t:4,6|
OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCC\C4=C/c4cccc(F)c4)C(c4cccc(F)c4)n3c2=O)o1 |t:17,19|
CC(C)C(C1C(=S)SC(=Cc2ccc(Br)cc2)C1=O)C(O)=O |w:9.9|
C[C@]12CCC[C@](C)([C@@H]1CC[C@]13C[C@@H]4[C@H](C[C@@H]21)[C@]4(CO)C3)C(O)=O |r|
C[C@]1(O)C[C@@]23C[C@H]1C=C[C@@H]2[C@@]1(C)CCC[C@](C)([C@@H]1CC3)C(O)=O |r,c:8|
C[C@@]12C[C@@]34C[C@@H]1[C@@H]2C[C@H]3[C@@]1(C)CCC[C@](C)([C@@H]1CC4)C(O)=O |r|
CN(C)CCCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
CN(C)CCCC(O)(c1ccccc1)c1ccccc1
CN(C)CCCC(O)(c1ccccc1)c1ccc(Cl)cc1
CC(C)C=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CC(C)C)c4c(O)c3=C)c(=C)c(O)c12 |w:3.2,24.24,(18.99,-45.93,;18.99,-44.39,;17.66,-43.62,;20.32,-43.62,;20.33,-42.08,;18.99,-41.31,;17.66,-42.08,;18.99,-39.76,;17.66,-39,;20.33,-38.98,;21.67,-39.76,;23,-38.98,;23,-37.44,;24.34,-39.76,;25.68,-38.99,;27.01,-39.77,;27.01,-41.31,;28.33,-39.01,;29.66,-39.79,;31.01,-39.04,;32.33,-39.82,;31.02,-37.49,;32.36,-36.73,;29.69,-36.7,;29.7,-35.16,;31.04,-34.4,;31.05,-32.86,;32.37,-35.18,;28.35,-37.46,;27.01,-36.69,;27.02,-35.15,;25.67,-37.46,;24.34,-36.69,;24.35,-41.31,;25.68,-42.08,;23,-42.08,;23,-43.62,;21.67,-41.31,)|
Cc1ccc(CC=c2c(O)c(O)cc3c(O)c(-c4c(O)c5cc(O)c(O)c(=CCc6ccc(C)cc6)c5c(O)c4=C)c(=C)c(O)c23)cc1 |w:27.27,6.5,(2.55,-7.81,;2.53,-9.35,;3.86,-10.13,;3.85,-11.67,;2.51,-12.42,;2.49,-13.96,;1.15,-14.72,;1.14,-16.26,;2.47,-17.05,;3.81,-16.3,;2.46,-18.6,;3.78,-19.38,;1.11,-19.35,;-.21,-18.57,;-1.54,-19.33,;-1.54,-20.87,;-2.87,-18.56,;-4.2,-19.32,;-5.55,-18.54,;-5.55,-17.01,;-6.88,-19.33,;-8.22,-18.55,;-9.56,-19.33,;-10.89,-18.56,;-9.56,-20.87,;-10.89,-21.64,;-8.22,-21.64,;-8.22,-23.18,;-9.56,-23.95,;-9.56,-25.49,;-10.9,-26.25,;-10.9,-27.79,;-9.57,-28.56,;-9.57,-30.1,;-8.23,-27.79,;-8.23,-26.25,;-6.88,-20.87,;-5.54,-21.64,;-5.54,-23.18,;-4.2,-20.87,;-2.87,-21.64,;-2.87,-17.02,;-4.21,-16.25,;-1.53,-16.25,;-1.53,-14.71,;-.2,-17.03,;1.18,-11.65,;1.19,-10.11,)|
CCc1ccc(CCNC(=O)c2c(O)c(O)cc3C(=O)C(=C(C)C(=O)c23)C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)NCCc3ccc(CC)cc3)C2=O)cc1 |c:28,t:20|
Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CC5CCCC5)c4c(O)c3=C)c(=C)c(O)c2c(=CC2CCCC2)c1O |w:34.38,17.17,(-10.24,1.31,;-8.91,.55,;-7.57,1.33,;-6.23,.55,;-4.9,1.33,;-4.9,2.87,;-3.55,.55,;-2.22,1.32,;-.89,.54,;-.89,-1,;.44,1.3,;1.76,.52,;3.11,1.27,;4.43,.49,;3.12,2.82,;4.47,3.58,;1.79,3.61,;1.8,5.15,;3.14,5.91,;4.38,5,;5.63,5.9,;5.16,7.36,;3.62,7.37,;.45,2.85,;-.88,3.62,;-.88,5.16,;-2.22,2.85,;-3.56,3.62,;-3.55,-1,;-2.22,-1.77,;-4.89,-1.77,;-4.89,-3.31,;-6.23,-1,;-7.57,-1.77,;-7.57,-3.31,;-8.91,-4.08,;-10.18,-3.19,;-11.41,-4.12,;-10.91,-5.57,;-9.37,-5.55,;-8.91,-1,;-10.24,-1.77,)|
Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCC5CCCCC5)c4c(O)c3=C)c(=C)c(O)c2c(=CCC2CCCCC2)c1O |w:36.40,17.17,(6.04,-1.44,;7.37,-2.21,;8.7,-1.43,;10.04,-2.21,;11.38,-1.43,;11.37,.11,;12.72,-2.2,;14.05,-1.44,;15.39,-2.21,;15.38,-3.75,;16.71,-1.45,;18.03,-2.23,;19.38,-1.48,;20.7,-2.26,;19.39,.07,;20.73,.82,;18.06,.86,;18.07,2.4,;19.41,3.15,;19.42,4.69,;20.78,5.44,;20.79,6.98,;19.47,7.76,;18.13,7.01,;18.11,5.47,;16.72,.09,;15.39,.87,;15.39,2.4,;14.05,.1,;12.72,.87,;12.72,-3.75,;14.05,-4.52,;11.38,-4.52,;11.38,-6.06,;10.05,-3.75,;8.7,-4.52,;8.7,-6.06,;7.36,-6.83,;7.36,-8.37,;6.03,-9.13,;6.02,-10.66,;7.35,-11.44,;8.69,-10.68,;8.7,-9.13,;7.37,-3.75,;6.04,-4.52,)|
Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCc2ccccc2)c1O |w:36.40,17.17,(22.56,-1.64,;23.9,-2.4,;25.23,-1.62,;26.57,-2.4,;27.9,-1.62,;27.9,-.08,;29.25,-2.4,;30.58,-1.63,;31.91,-2.41,;31.91,-3.95,;33.23,-1.65,;34.56,-2.43,;35.91,-1.68,;37.23,-2.46,;35.92,-.13,;37.26,.63,;34.59,.66,;34.6,2.2,;35.94,2.96,;35.95,4.5,;37.3,5.25,;37.31,6.79,;35.98,7.57,;34.64,6.81,;34.63,5.27,;33.25,-.1,;31.92,.67,;31.92,2.21,;30.58,-.1,;29.24,.67,;29.25,-3.95,;30.58,-4.72,;27.91,-4.72,;27.91,-6.26,;26.57,-3.95,;25.23,-4.72,;25.23,-6.26,;23.89,-7.03,;23.89,-8.57,;22.55,-9.33,;22.55,-10.87,;23.88,-11.64,;25.22,-10.86,;25.22,-9.33,;23.9,-3.95,;22.56,-4.72,)|
Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCCc2ccccc2)c1O |w:37.41,17.17,(4.3,-20.93,;5.64,-21.7,;6.97,-20.92,;8.31,-21.7,;9.65,-20.92,;9.64,-19.38,;10.99,-21.69,;12.32,-20.93,;13.66,-21.7,;13.65,-23.24,;14.98,-20.94,;16.3,-21.72,;17.65,-20.97,;18.98,-21.75,;17.67,-19.42,;19.01,-18.67,;16.33,-18.63,;16.35,-17.09,;17.69,-16.33,;17.7,-14.79,;19.04,-14.04,;20.36,-14.82,;21.7,-14.07,;21.71,-12.52,;20.38,-11.74,;19.04,-12.51,;14.99,-19.4,;13.66,-18.62,;13.67,-17.08,;12.32,-19.39,;10.99,-18.62,;10.99,-23.24,;12.33,-24.01,;9.65,-24.01,;9.65,-25.55,;8.32,-23.24,;6.97,-24.01,;6.97,-25.55,;5.63,-26.32,;5.63,-27.86,;4.3,-28.63,;2.97,-27.85,;1.63,-28.62,;1.63,-30.16,;2.97,-30.93,;4.3,-30.16,;5.64,-23.24,;4.3,-24.01,)|
Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccc(Cl)cc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccc(Cl)cc2)c1O |w:36.40,17.17,(13.56,-4.78,;14.89,-5.55,;16.23,-4.77,;17.57,-5.55,;18.9,-4.77,;18.89,-3.23,;20.24,-5.55,;21.58,-4.78,;22.91,-5.55,;22.9,-7.09,;24.23,-4.8,;25.55,-5.58,;26.9,-4.82,;28.22,-5.61,;26.91,-3.28,;28.26,-2.52,;25.58,-2.49,;25.6,-.95,;26.93,-.19,;28.26,-.98,;29.59,-.22,;29.61,1.32,;30.95,2.08,;28.27,2.1,;26.94,1.34,;24.24,-3.25,;22.91,-2.48,;22.92,-.94,;21.57,-3.24,;20.24,-2.47,;20.24,-7.09,;21.58,-7.86,;18.9,-7.86,;18.9,-9.4,;17.57,-7.1,;16.23,-7.87,;16.22,-9.4,;14.89,-10.17,;13.56,-9.4,;12.23,-10.16,;12.23,-11.7,;10.89,-12.47,;13.57,-12.48,;14.9,-11.7,;14.89,-7.1,;13.56,-7.87,)|
CC1=C(C(=O)c2cc(O)c(O)c(C(=O)Cc3ccccc3)c2C1=O)C1=C(C)C(=O)c2c(cc(O)c(O)c2C(=O)Cc2ccccc2)C1=O |c:27,t:1|
CC(CNC(=O)c1c(O)c(O)cc2C(=O)C(=C(C)C(=O)c12)C1=C(C)C(=O)c2c(cc(O)c(O)c2C(=O)NCC(C)c2ccccc2)C1=O)c1ccccc1 |c:23,t:15|
Nc1ccc(Cl)c(CN2CCN(CC2)c2ncc(Cc3ccccc3)cn2)c1
Oc1cccc(CN2CCN(CC2)c2ncc(Cc3ccccc3)cn2)c1
C(N1CCN(CC1)c1ncc(Cc2ccccc2)cn1)c1ccccc1-c1cn[nH]c1
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)Nc1ncnc2cc(ccc12)-c1ccc(F)cc1
[O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |r,t:47|
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc3c(NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(c4)[N+]([O-])=O)ncnc3c2)C1)c1ccc(Cl)cc1 |r,t:5|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |r,t:51|
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc3c(NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(c4)S(=O)(=O)C(F)(F)F)ncnc3c2)C1)c1ccc(Cl)cc1 |r,t:5|
O=C(NS(=O)(=O)c1ccc(COc2ccccc2)cc1)c1ccc(cc1)-c1ccccc1
O=C(NS(=O)(=O)c1ccc(COc2ccccc2)cc1)c1cccc(c1)-c1ccccc1
O=C(NS(=O)(=O)c1ccc(COc2ccccc2)cc1)c1ccccc1-c1ccccc1
Fc1ccc(cc1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
Clc1ccc(cc1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
Clc1cc(Cl)cc(c1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
O=C(NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)-c1ccccc1
Fc1ccc(cc1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Clc1cc(Cl)cc(c1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Clc1cc(Cl)cc(c1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1
O=C(NS(=O)(=O)c1ccc(cc1)-c1ccccc1)c1ccc(Oc2ccccc2)cc1
FC(F)(F)c1ccc(cc1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
Clc1cc(Cl)cc(c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
Clc1cc(Cl)cc(c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1
Clc1ccc(c(Cl)c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
O=C(NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1cccc(c1)-c1ccccc1
Clc1cc(Cl)cc(c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Clc1cc(Cl)cc(c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)nc1
Clc1cccc(c1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Clc1ccc(c(Cl)c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
COc1ccc(cc1OC)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCOc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(c1)-c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1
Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1
COc1ccccc1Oc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(c1)-c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1
[O-][N+](=O)c1cccc(Cl)c1Oc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(c1)-c1ccc(Cl)c(Cl)c1
FC(F)(F)c1cc(Oc2ccc(cc2)S(=O)(=O)NC(=O)c2cccc(c2)-c2ccc(Cl)c(Cl)c2)cc(c1)C(F)(F)F
Fc1ccc(Oc2ccc(cc2)S(=O)(=O)NC(=O)c2cccc(c2)-c2ccc(Cl)c(Cl)c2)cc1
CCOc1ccc(Oc2ccc(cc2)S(=O)(=O)NC(=O)c2cccc(c2)-c2ccc(Cl)c(Cl)c2)cc1
c1ccc(cc1)COc2cccnc2N
OC(=O)c1ccccc1N1CCCCC1
C[C@H]1CN(CCN1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
C[C@@H]1CN(CCN1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
CC1CN(CC(C)N1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
CC(C)[C@H]1CN(Cc2ccccc2C(F)(F)F)CCN1c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
CC(C)[C@@H]1CN(Cc2ccccc2C(F)(F)F)CCN1c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(O)=O |r,c:69,110,113,115,157,159,188,190,t:64,66,107,155,186|
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r,c:38,41,43,191,t:35,186,188|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(O)=O |r,c:70,73,75,155,157,t:67,153|
COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
CC(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
CSCC[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
CC(C)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2F)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
CCOC(=O)c1cc(O)c(=O)c2cc(O)c(O)cc2c1
c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O
COc1cc2cccc(OC)c(=O)c2c(OC)c1OC
COc1c(O)cc2cccc(OC)c(=O)c2c1OC
OC(=O)c1cc(O)c(=O)c2cc(O)c(O)cc2c1
COC(=O)c1cc(O)c(=O)c2cc(O)c(O)cc2c1
CN(C)CC\C=C(\c1ccc(Cl)cc1)c1ccc(CCCc2ccc(cc2)C(=C\CCN(C)C)\c2ccc(Cl)cc2)cc1
[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1ccc(Cl)cc1)-c1ccc(Cl)cc1
CCOC(=O)CC1C(C(=O)OCC)C(=N)Oc2ccc(cc12)-c1ccccc1
CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(Br)cc12
CCOC(=O)CC1C(C(=O)OCC)C(=N)Oc2ccc(cc12)-c1cc(OC)cc(OC)c1
C[C@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |r,wU:30.32,wD:1.0,(20.84,-14.32,;21.62,-15.64,;23.16,-15.63,;23.92,-14.29,;25.46,-14.28,;26.24,-15.61,;26.22,-12.94,;25.44,-11.62,;23.9,-11.64,;26.19,-10.28,;25.41,-8.96,;27.74,-10.27,;28.52,-11.6,;30.05,-11.59,;30.8,-10.25,;30.82,-12.9,;30.06,-14.24,;30.84,-15.57,;28.53,-14.25,;27.76,-12.93,;32.36,-12.89,;33.14,-14.22,;32.38,-15.56,;34.68,-14.21,;35.44,-12.86,;36.98,-12.84,;37.77,-14.16,;37.01,-15.51,;39.31,-14.14,;40.09,-15.47,;41.63,-15.45,;42.39,-14.1,;42.42,-16.77,;41.66,-18.11,;42.45,-19.43,;43.99,-19.42,;44.74,-18.06,;43.95,-16.74,;37.73,-11.49,;39.27,-11.47,;36.94,-10.16,;37.68,-8.82,;35.4,-10.19,;34.65,-11.53,;33.11,-11.55,;32.33,-10.23,;20.86,-16.98,;19.32,-16.99,;18.56,-18.33,;19.33,-19.67,;20.87,-19.66,;21.64,-18.32,)|
CCOC(=O)c1nn(c(C)c1-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)-c1ccccc1 |(-8.18,2.42,;-6.72,1.95,;-6.4,.44,;-4.94,-.04,;-3.79,.99,;-4.62,-1.54,;-5.65,-2.68,;-4.88,-4.02,;-3.37,-3.7,;-3.42,-5.25,;-3.21,-2.17,;-1.87,-1.4,;-1.87,.14,;-.53,.91,;.8,.13,;.8,-1.41,;-.55,-2.17,;-.55,-3.71,;-1.89,-4.48,;.78,-4.49,;.77,-6.02,;2.1,-6.8,;3.43,-6.04,;4.75,-6.82,;6.09,-6.06,;6.11,-4.52,;4.78,-3.74,;3.45,-4.5,;2.12,-3.71,;2.14,.9,;2.15,2.44,;3.47,.12,;4.8,.89,;4.02,2.22,;5.56,2.23,;6.14,.11,;6.12,-1.43,;7.46,-2.21,;8.81,-1.43,;10.15,-2.19,;11.48,-1.41,;11.46,.14,;10.12,.9,;8.8,.11,;7.47,.88,;-5.6,-5.37,;-7.14,-5.42,;-7.87,-6.78,;-7.06,-8.09,;-5.51,-8.03,;-4.79,-6.68,)|
CCCCc1c(c(nn1-c1ccccc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(24.15,-7.18,;22.84,-6.37,;22.88,-4.84,;21.57,-4.03,;21.62,-2.48,;21.78,-.95,;20.37,-.32,;19.34,-1.46,;20.11,-2.8,;19.39,-4.15,;17.84,-4.2,;17.12,-5.56,;17.93,-6.87,;19.48,-6.81,;20.2,-5.46,;20.05,1.19,;21.2,2.22,;18.59,1.66,;18.27,3.17,;16.81,3.65,;23.12,-.18,;23.12,1.36,;24.46,2.13,;25.79,1.36,;25.79,-.19,;24.44,-.95,;24.44,-2.49,;23.1,-3.25,;25.77,-3.27,;25.76,-4.8,;27.09,-5.58,;28.42,-4.82,;29.74,-5.6,;31.08,-4.84,;31.1,-3.3,;29.77,-2.52,;28.44,-3.28,;27.11,-2.49,;27.13,2.12,;27.14,3.66,;28.46,1.34,;29.79,2.11,;29.01,3.44,;30.55,3.45,;31.13,1.33,;31.11,-.21,;32.45,-.99,;33.8,-.21,;35.14,-.97,;36.47,-.19,;36.46,1.36,;35.11,2.12,;33.79,1.33,;32.46,2.1,)|
CCCCc1c(c(nn1-c1ccccc1)C(O)=O)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(47.07,-6.48,;45.76,-5.67,;45.8,-4.14,;44.49,-3.33,;44.54,-1.78,;44.7,-.25,;43.29,.38,;42.26,-.76,;43.03,-2.1,;42.31,-3.45,;40.77,-3.5,;40.04,-4.86,;40.85,-6.17,;42.4,-6.11,;43.12,-4.76,;42.98,1.89,;41.51,2.36,;44.12,2.92,;46.04,.52,;46.04,2.06,;47.38,2.83,;48.71,2.06,;48.71,.51,;47.36,-.25,;47.36,-1.79,;46.02,-2.55,;48.69,-2.57,;48.69,-4.1,;50.01,-4.88,;51.34,-4.12,;52.66,-4.9,;54.01,-4.14,;54.02,-2.6,;52.69,-1.82,;51.36,-2.58,;50.03,-1.79,;50.05,2.82,;50.06,4.36,;51.38,2.04,;52.71,2.81,;51.93,4.14,;53.47,4.15,;54.05,2.03,;54.04,.49,;55.37,-.29,;56.72,.49,;58.06,-.27,;59.4,.51,;59.38,2.06,;58.03,2.82,;56.71,2.03,;55.38,2.8,)|
CCCCc1c(c(CO)nn1-c1ccccc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-.21,-22.28,;-1.52,-21.47,;-1.48,-19.93,;-2.79,-19.12,;-2.74,-17.58,;-2.58,-16.04,;-3.99,-15.42,;-4.31,-13.91,;-5.77,-13.43,;-5.02,-16.56,;-4.25,-17.89,;-4.97,-19.25,;-6.52,-19.3,;-7.24,-20.65,;-6.43,-21.96,;-4.88,-21.91,;-4.16,-20.55,;-1.24,-15.27,;-1.24,-13.74,;.1,-12.96,;1.43,-13.74,;1.43,-15.28,;.08,-16.05,;.08,-17.59,;-1.26,-18.35,;1.41,-18.36,;1.4,-19.9,;2.73,-20.67,;4.06,-19.91,;5.38,-20.69,;6.72,-19.94,;6.74,-18.4,;5.41,-17.61,;4.08,-18.37,;2.75,-17.59,;2.77,-12.98,;2.78,-11.44,;4.1,-13.75,;5.43,-12.98,;4.65,-11.66,;6.19,-11.65,;6.77,-13.76,;6.75,-15.3,;8.09,-16.08,;9.44,-15.31,;10.78,-16.07,;12.11,-15.29,;12.1,-13.73,;10.75,-12.98,;9.43,-13.76,;8.1,-12.99,)|
CCCCc1c(c(nn1-c1ccc(OC)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(24.33,-23.45,;23.02,-22.64,;23.06,-21.1,;21.75,-20.29,;21.8,-18.74,;21.96,-17.21,;20.55,-16.58,;19.52,-17.73,;20.29,-19.06,;19.56,-20.42,;18.02,-20.46,;17.3,-21.82,;18.11,-23.13,;17.39,-24.49,;18.2,-25.79,;19.66,-23.08,;20.38,-21.72,;20.23,-15.08,;21.38,-14.05,;18.77,-14.6,;18.45,-13.09,;16.99,-12.62,;23.29,-16.44,;23.29,-14.9,;24.64,-14.13,;25.97,-14.91,;25.96,-16.45,;24.62,-17.21,;24.62,-18.75,;23.28,-19.52,;25.95,-19.53,;25.94,-21.07,;27.27,-21.84,;28.6,-21.08,;29.92,-21.86,;31.26,-21.11,;31.28,-19.57,;29.95,-18.78,;28.62,-19.54,;27.29,-18.76,;27.31,-14.14,;27.32,-12.6,;28.64,-14.92,;29.97,-14.15,;29.19,-12.83,;30.73,-12.81,;31.31,-14.93,;31.29,-16.47,;32.63,-17.25,;33.98,-16.48,;35.32,-17.24,;36.65,-16.45,;36.64,-14.9,;35.29,-14.15,;33.97,-14.93,;32.64,-14.16,)|
CCCCc1c(c(nn1-c1cccc(Oc2ccccc2)c1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(49.78,-23.14,;48.47,-22.33,;48.52,-20.79,;47.21,-19.98,;47.25,-18.43,;47.42,-16.9,;46.01,-16.27,;44.98,-17.42,;45.75,-18.75,;45.02,-20.11,;43.48,-20.15,;42.75,-21.51,;43.57,-22.82,;45.11,-22.76,;45.93,-24.06,;45.21,-25.42,;43.67,-25.47,;42.95,-26.83,;43.77,-28.14,;45.32,-28.08,;46.03,-26.72,;45.83,-21.41,;45.69,-14.77,;46.83,-13.74,;44.23,-14.29,;43.91,-12.78,;42.44,-12.31,;48.75,-16.13,;48.75,-14.59,;50.09,-13.82,;51.43,-14.6,;51.42,-16.14,;50.08,-16.9,;50.07,-18.44,;48.74,-19.21,;51.4,-19.22,;51.4,-20.75,;52.72,-21.53,;54.06,-20.77,;55.38,-21.55,;56.72,-20.8,;56.74,-19.26,;55.41,-18.47,;54.07,-19.23,;52.74,-18.45,;52.77,-13.83,;52.77,-12.29,;54.1,-14.61,;55.43,-13.84,;54.65,-12.51,;56.19,-12.5,;56.76,-14.62,;56.75,-16.16,;58.08,-16.94,;59.43,-16.17,;60.78,-16.93,;62.11,-16.14,;62.09,-14.59,;60.75,-13.84,;59.42,-14.62,;58.1,-13.85,)|
CCCCOc1ccc(cc1)-n1nc(CO)c(c1CCCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(15.14,-13.86,;15.87,-12.5,;15.06,-11.2,;15.78,-9.84,;14.97,-8.53,;15.69,-7.18,;14.88,-5.87,;15.6,-4.51,;17.14,-4.46,;17.95,-5.77,;17.23,-7.12,;17.87,-3.11,;17.1,-1.78,;18.13,-.63,;17.81,.87,;16.35,1.35,;19.54,-1.26,;19.37,-2.79,;19.33,-4.34,;20.64,-5.15,;20.6,-6.68,;21.91,-7.49,;20.87,-.49,;20.87,1.05,;22.22,1.82,;23.55,1.04,;23.54,-.5,;22.2,-1.26,;22.2,-2.8,;20.86,-3.57,;23.53,-3.58,;23.52,-5.11,;24.84,-5.89,;26.18,-5.13,;27.5,-5.91,;28.84,-5.15,;28.86,-3.61,;27.53,-2.83,;26.19,-3.59,;24.86,-2.8,;24.89,1.81,;24.89,3.35,;26.22,1.03,;27.55,1.8,;26.77,3.13,;28.31,3.14,;28.88,1.02,;28.87,-.52,;30.2,-1.3,;31.55,-.52,;32.9,-1.29,;34.23,-.5,;34.21,1.05,;32.87,1.81,;31.54,1.02,;30.22,1.79,)|
CCCCc1c(c(CO)nn1-c1ccc(cc1)-c1ccccc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(46.25,-7.57,;44.94,-6.76,;44.98,-5.22,;43.67,-4.42,;43.72,-2.87,;43.88,-1.34,;42.47,-.71,;42.15,.8,;40.69,1.27,;41.44,-1.85,;42.21,-3.19,;41.49,-4.54,;39.95,-4.59,;39.22,-5.94,;40.03,-7.25,;41.58,-7.2,;42.3,-5.84,;39.31,-8.61,;37.77,-8.66,;37.04,-10.02,;37.86,-11.32,;39.4,-11.27,;40.12,-9.91,;45.22,-.57,;45.22,.97,;46.56,1.74,;47.89,.97,;47.89,-.57,;46.54,-1.34,;46.54,-2.88,;45.2,-3.64,;47.87,-3.65,;47.86,-5.19,;49.19,-5.97,;50.52,-5.21,;51.84,-5.98,;53.18,-5.23,;53.2,-3.69,;51.87,-2.9,;50.54,-3.67,;49.21,-2.88,;49.23,1.73,;49.24,3.27,;50.56,.95,;51.89,1.72,;51.11,3.05,;52.65,3.06,;53.23,.94,;53.21,-.6,;54.55,-1.38,;55.9,-.6,;57.24,-1.36,;58.57,-.58,;58.56,.97,;57.21,1.73,;55.89,.94,;54.56,1.72,)|
CCCCc1c(c(CO)nn1-c1ccc(CCCO)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(23.77,-26.25,;22.46,-25.44,;22.51,-23.9,;21.2,-23.1,;21.24,-21.55,;21.4,-20.02,;20,-19.39,;19.68,-17.88,;18.21,-17.41,;18.97,-20.53,;19.73,-21.87,;19.01,-23.22,;17.47,-23.27,;16.74,-24.62,;17.55,-25.93,;16.83,-27.29,;15.29,-27.34,;14.57,-28.7,;13.03,-28.75,;19.1,-25.88,;19.82,-24.52,;22.74,-19.25,;22.74,-17.71,;24.08,-16.94,;25.42,-17.71,;25.41,-19.25,;24.07,-20.02,;24.06,-21.56,;22.72,-22.32,;25.39,-22.33,;25.39,-23.87,;26.71,-24.65,;28.05,-23.89,;29.37,-24.66,;30.71,-23.91,;30.72,-22.37,;29.39,-21.58,;28.06,-22.35,;26.73,-21.56,;26.75,-16.95,;26.76,-15.41,;28.08,-17.73,;29.41,-16.96,;28.63,-15.63,;30.17,-15.62,;30.75,-17.74,;30.74,-19.28,;32.07,-20.06,;33.42,-19.28,;34.76,-20.04,;36.1,-19.26,;36.08,-17.71,;34.73,-16.95,;33.41,-17.74,;32.08,-16.96,)|
CCCCc1c(c(CO)nn1-c1cccc(CO)c1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(48.56,-26.2,;47.25,-25.39,;47.3,-23.85,;45.99,-23.04,;46.03,-21.5,;46.2,-19.96,;44.79,-19.34,;44.47,-17.83,;43,-17.35,;43.76,-20.48,;44.52,-21.82,;43.8,-23.17,;42.26,-23.22,;41.53,-24.57,;42.34,-25.88,;43.89,-25.83,;44.71,-27.13,;43.99,-28.49,;44.61,-24.47,;47.53,-19.2,;47.53,-17.66,;48.87,-16.88,;50.21,-17.66,;50.2,-19.2,;48.86,-19.97,;48.85,-21.51,;47.52,-22.27,;50.18,-22.28,;50.18,-23.82,;51.5,-24.59,;52.84,-23.83,;54.16,-24.61,;55.5,-23.86,;55.51,-22.32,;54.19,-21.53,;52.85,-22.29,;51.52,-21.51,;51.54,-16.9,;51.55,-15.36,;52.87,-17.67,;54.21,-16.91,;53.43,-15.58,;54.97,-15.57,;55.54,-17.69,;55.53,-19.23,;56.86,-20.01,;58.21,-19.23,;59.56,-19.99,;60.89,-19.21,;60.87,-17.65,;59.53,-16.9,;58.2,-17.68,;56.87,-16.91,)|
CCCCc1c(c(CO)nn1-c1ccccc1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r,wU:34.39,(11.77,-38.55,;13.06,-39.38,;14.43,-38.69,;14.52,-37.15,;15.9,-36.45,;17.32,-35.86,;17.2,-34.32,;18.37,-33.32,;18.08,-31.81,;15.7,-33.96,;14.89,-35.28,;13.36,-35.29,;12.58,-33.96,;11.04,-33.97,;10.28,-35.31,;11.07,-36.64,;12.6,-36.63,;18.63,-36.66,;19.98,-35.92,;21.31,-36.73,;21.26,-38.28,;19.91,-39.01,;18.59,-38.2,;17.24,-38.93,;15.93,-38.12,;17.2,-40.47,;18.51,-41.27,;18.46,-42.82,;19.77,-43.62,;19.72,-45.16,;18.36,-45.89,;17.05,-45.07,;17.1,-43.54,;15.8,-42.73,;15.84,-41.2,;14.53,-40.39,;13.18,-41.12,;22.57,-39.08,;23.93,-38.35,;22.53,-40.62,;23.84,-41.42,;24.63,-40.1,;25.38,-41.45,;23.8,-42.97,;22.44,-43.7,;22.39,-45.24,;23.72,-46.05,;23.7,-47.6,;25.02,-48.39,;26.38,-47.63,;26.39,-46.09,;25.07,-45.3,;25.11,-43.77,)|
CCCCc1c(c(nn1c2ccccc2)CO)c3ccc(cc3C(=O)N4CCc5ccccc5C4)C(=O)NS(=O)(=O)CC[Si](C)(C)C
CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)CC |(-5.26,-3.34,;-3.97,-4.18,;-2.6,-3.48,;-2.52,-1.94,;-1.14,-1.24,;.29,-.65,;.16,.88,;1.33,1.89,;1.05,3.4,;-1.33,1.24,;-2.14,-.07,;-3.67,-.08,;-4.45,1.25,;-5.99,1.23,;-6.75,-.11,;-8.29,-.12,;-9.07,1.21,;-10.61,1.18,;-11.4,2.5,;-10.64,3.85,;-9.1,3.87,;-8.34,5.21,;-8.32,2.54,;-5.96,-1.44,;-4.43,-1.42,;1.6,-1.45,;2.95,-.72,;4.28,-1.53,;4.23,-3.07,;2.88,-3.8,;1.56,-2.99,;.21,-3.72,;-1.1,-2.91,;.16,-5.26,;-1.19,-5.99,;-1.23,-7.53,;.07,-8.34,;.02,-9.87,;1.32,-10.68,;2.68,-9.96,;2.74,-8.42,;1.43,-7.61,;1.48,-6.07,;5.54,-3.88,;6.9,-3.15,;5.5,-5.42,;6.81,-6.22,;7.6,-4.9,;8.35,-6.24,;6.77,-7.76,;8.08,-8.56,)|
CCCCCS(=O)(=O)NC(=O)c1ccc(-c2c(CO)nn(c2CCCC)-c2ccc(Oc3cccc(Cl)c3)cc2)c(c1)C(=O)N1CCc2ccccc2C1 |(32.41,-13.03,;32.45,-11.49,;31.13,-10.69,;31.17,-9.15,;29.85,-8.35,;29.89,-6.8,;30.69,-5.48,;31.43,-6.83,;28.58,-6,;28.63,-4.46,;29.98,-3.73,;27.32,-3.65,;27.36,-2.11,;26.04,-1.3,;24.69,-2.04,;23.37,-1.23,;23.25,.3,;24.42,1.3,;24.14,2.82,;21.75,.66,;20.95,-.65,;21.95,-1.82,;20.57,-2.53,;20.49,-4.06,;19.11,-4.76,;17.82,-3.92,;19.41,-.67,;18.63,.66,;17.09,.65,;16.33,-.69,;14.79,-.7,;14.01,.62,;12.47,.6,;11.7,1.92,;12.44,3.27,;13.98,3.28,;14.74,4.63,;14.76,1.96,;17.12,-2.02,;18.66,-2,;24.65,-3.57,;25.96,-4.38,;23.29,-4.31,;21.98,-3.5,;23.25,-5.84,;21.9,-6.58,;21.85,-8.11,;23.16,-8.92,;23.11,-10.45,;24.41,-11.27,;25.77,-10.54,;25.82,-9,;24.52,-8.19,;24.57,-6.65,)|
CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(I)cc2c1
CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |r|
CCCCN(CCCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC)c1ncc(C)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCN(CCC)c1nccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1C(=O)N1CCc2ccccc2C1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(c2c1)S(=O)(=O)CC
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCN3CCOCC3)cc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCc3ccc(cc3)C(O)=O)c2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2NCCc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)c1ccc(Cl)c(Cl)c1
Oc1c(Cl)cc(Cl)cc1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1ccc(cc1)C(=O)N(Cc1ccc(F)cc1)Cc1cc(Cl)cc(Cl)c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCN(C)CC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCCC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CNc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(NCCNc2cccc(c2)-c2c(cn(CC[C@H](O)CO)c2C(=O)NCCCN2CCN(C)CC2)-c2ccc(Cl)cc2)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccccc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCNCC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cn(C)cc1-c1ccc(Cl)cc1 |r|
CCOC(=O)c1c(c(cn1C)-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(O)=O)-c1ccc(Cl)cc1 |r|
CCc1c(c(c(C(O)=O)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1)-c1ccc(Cl)cc1 |r|
CN1CCN(CCCNC(=O)c2c(c(cn2CC[C@H](O)CO)-c2ccc(Cl)cc2)-c2ccccc2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(N)(=O)=O |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)-c1cn(nn1)-c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
CNC(=O)c1c(c(cn1C)-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O |r|
CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2ccccc2)-c2ccc(Cl)cc2)CC1
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cc(C)n(C)c1-c1ccc(Cl)cc1 |r|
CNC(=O)c1c(C)n(C)c(c1-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1)-c1ccc(Cl)cc1 |r|
CCn1c(C)c(C(O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C2CC2)c1-c1ccc(Cl)cc1 |r|
CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(O)=O |r,c:69,111,114,116,149,151,182,184,t:64,66,108,147,180|
CC(C)n1c(C)c(C(O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
CC(C)c1cc(cc2nc(ccc12)N1CCCC1)-c1cc2ccccc2nc1N1CCCC1
CCCOc1nc2ccccc2cc1-c1cc(C(C)C)c2ccc(nc2c1)N1CCOCC1
CCCOc1ccc2c(cc(cc2n1)-c1cc2ccccc2nc1N1CCOCC1)C(C)C
CCOc1ccc2c(cc(cc2n1)-c1cc2ccccc2nc1N1CCOCC1)C(C)C
CCOc1ccc2c(cc(cc2n1)-c1cc2ccccc2nc1N1CCCC1)C(C)C
CC(C)c1ccc(Oc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
CCCCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34
CCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34
CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
OOc1ccc(Sc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
CCCCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34
CCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34
COc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Nc1ccc(Sc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
CCCCCCNc1c2c3ccc(Sc4ccc(N)cc4)c4cccc(c2nc1=O)c34
CCCCNc1c2c3ccc(Sc4ccc(N)cc4)c4cccc(c2nc1=O)c34
Nc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
O=c1nc2c3cccc4c(ccc(c2c1NCCCc1ccccc1)c34)N1CCSCC1
CCCCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
CCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
OC(=O)c1c(CCCOc2cccc3ccccc23)c2ccccc2n1Cc1ccccc1
Cn1c(C(O)=O)c(CCCOc2cccc3ccccc23)c2ccccc12
Cc1cc(OCCCc2c(C(O)=O)n(C)c3ccccc23)cc(C)c1Cl
OC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(O)=O)ccc1Cl
c1ccc2c(c1)cccc2OCCCc3c4ccccc4[nH]c3C(=O)O
Cc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)ccc1Cl
C(Sc1nnc[nH]1)c1cccc2ccccc12
Cc1cc(OCCC(O)=O)cc(C)c1Cl
Cc1cc(OCC(O)=O)ccc1Cl
Cc1cccc2c(c([nH]c12)C(O)=O)-c1ccccc1
Cc1c(oc2c(C)c(C)ccc12)C(O)=O
Cc1c(oc2c(C)cccc12)C(O)=O
Cc1ccc2c(Cl)c(sc2c1)C(O)=O
OC(=O)c1sc2cccc(Cl)c2c1Cl
c1ccc2c(c1)cc(s2)C(=O)O
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1)C(F)(F)F |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(Cl)nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2C(=O)N(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r|
CC(N1CCC(CC1)N1CCc2c(C1)ncnc2NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
CC(C)n1c(C)c(C(=O)NS(C)(=O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
CCn1c(C)c(C(=O)NS(C)(=O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
CCCCn1c(C)c(C(O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
CCCn1c(C)c(C(O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(oc(C)c1C(O)=O)-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(nn(C)c1C(O)=O)-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(nn(C)c1-c1ccc(Cl)cc1)C(O)=O |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cnn1-c1ccc(Cl)cc1)C(=O)NS(C)(=O)=O |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(ncn1-c1ccc(Cl)cc1)C(=O)NS(C)(=O)=O |r|
CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c[n-][o+]c1-c1ccc(Cl)cc1
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cn(C)nc1-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cnn(C)c1-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1ccnn1-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cncn1-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(Cl)n(C)c1-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(n(C)c1-c1ccc(Cl)cc1)C(F)(F)F |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C#N)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(-c2ccc(Cl)cc2)n(C)c(C)c1C(F)(F)F |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(Cl)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NS(C)(=O)=O)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)N2CC(C)(O)C2)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)N[C@H]2C[C@@](C)(O)C2)c(C)n(C)c1-c1ccc(Cl)cc1 |r,wU:53.59,5.14,51.55,wD:53.58,(25.19,-28.45,;26.52,-27.68,;27.85,-28.44,;26.52,-26.14,;27.85,-25.36,;27.85,-23.82,;29.18,-23.05,;30.51,-23.82,;31.85,-23.05,;33.18,-23.83,;34.51,-23.06,;34.51,-21.51,;33.16,-20.75,;31.84,-21.52,;26.51,-23.06,;25.18,-23.83,;25.18,-25.37,;23.85,-26.13,;22.52,-25.36,;22.51,-23.83,;23.84,-23.06,;23.83,-21.51,;25.17,-20.74,;22.5,-20.75,;21.19,-26.13,;21.95,-27.46,;20.42,-27.45,;19.85,-25.37,;18.52,-26.14,;18.53,-27.69,;17.19,-28.46,;15.85,-27.69,;15.86,-26.15,;17.19,-25.38,;14.52,-28.46,;13.19,-27.69,;11.86,-28.45,;11.85,-29.99,;13.18,-30.77,;14.53,-30,;10.52,-30.75,;10.52,-32.29,;9.18,-33.05,;7.85,-32.28,;7.85,-30.74,;9.19,-29.97,;6.52,-29.96,;6.36,-28.43,;7.51,-27.4,;8.97,-27.88,;7.2,-25.89,;8.35,-24.87,;8.44,-23.33,;9.97,-23.41,;11.51,-23.4,;10.73,-22.07,;9.88,-24.95,;4.86,-28.1,;4.24,-26.69,;4.09,-29.43,;2.55,-29.58,;5.11,-30.58,;4.78,-32.08,;3.31,-32.54,;2.98,-34.04,;4.12,-35.08,;3.79,-36.59,;5.59,-34.61,;5.92,-33.11,)|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(N)=O)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
NC(=O)c1ccccc1C(=O)c1ccc(Sc2ccc(Cl)cc2)c(c1)[N+]([O-])=O
CCCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Oc1c(Br)cc(Cl)cc1C(=O)Nc1cc(ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
Oc1ccccc1-c1cc(-c2ccc3OCOc3c2)c(C#N)c(=O)[nH]1
COC1=CC(=N\C1=C\c1[nH]cc(C)c1C)c1cc2ccccc2[nH]1 |c:4,t:2|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#16]-[#6]-[#6@@H]-2-[#7]-[#6](=O)-[#7]-[#6@H]-1-2)-[#6@@H](-[#6])-[#6]-[#6])-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
CC(N=Nc1nc2ccccc2s1)c1ccc(s1)-c1cccc(n1)C(O)=O |w:3.3|
OC(=O)c1cc(ccn1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
CC(=NNC(=O)c1ccccc1)c1ccc(o1)-c1cccc(c1)C(O)=O |w:2.2|
OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ncc(s2)-c2ccccc2)o1 |w:15.16|
CC(N=Nc1ccc2ccccc2n1)c1ccc(o1)-c1cccc(C(O)=O)c1Cl |w:3.3|
CC(N=Nc1nc2ccccc2n1C)c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
CC(N=Nc1nc2ccccc2o1)c1ccc(o1)-c1cccc(C(O)=O)c1C |w:3.3|
CC(N=Nc1nc2ccc(cc2s1)C(F)(F)F)c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(CC(O)=O)c1 |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(N)=O |w:3.3|
COC(=O)c1cccc(c1)-c1ccc(CN=Nc2nc3ccccc3s2)o1 |w:16.17|
[O-][N+](=O)c1cccc(c1)-c1ccc(CN=Nc2nc3ccccc3s2)o1 |w:15.16|
CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cc(cc(c1)C(O)=O)C(O)=O |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1ccc(cc1)C(O)=O |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cc(ccc1Cl)C(O)=O |w:3.3|
Cc1c(cccc1-c1ccc(CN=Nc2nc3ccccc3s2)o1)C(O)=O |w:13.14|
CC(N=Nc1nc2ccc(Cl)cc2s1)c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O |w:3.3|
CC(N=Nc1nc2cc(Br)ccc2s1)c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
OC(=O)c1cccc(c1)-c1ccc(CN=Nc2nc3ccccc3s2)o1 |w:15.16|
CC(N=Nc1nc2ccc(Br)cc2s1)c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1cccc(c1)-c1cncc(c1)C(O)=O |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1ccc(N)c(c1)C(O)=O |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1ccccc1C(O)=O |w:3.3|
CC(N=Nc1nc2c(F)cccc2s1)c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
CC(N=Nc1nc2ccc(F)cc2s1)c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1cccc(c1)-c1cncc(n1)C(O)=O |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(C(O)=O)c1Cl |w:3.3|
OC(=O)c1cccc(n1)-c1cccc2C(CCc12)=NNc1nc2ccccc2s1 |w:18.21|
CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1ccc(c(c1)C(O)=O)[N+]([O-])=O |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1ccc(s1)-c1ccc(o1)C(O)=O |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1ccc(s1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1ccc([nH]1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(C(O)=O)c1C |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1cccc(c1)-c1ccc(o1)C(O)=O |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1ccc(-c2ccc(Cl)c(c2)C(O)=O)n1C |w:3.3|
OC(=O)c1ccnc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
CC1CCc2ccc(cc2C1=NNc1nc2ccccc2s1)-c1cccc(n1)C(O)=O |w:11.13|
[O-][N+](=O)c1cc(ccc1N[C@@H](CSc1ccccc1)CC(=O)N1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
CC(N=Nc1nc2ccccc2s1)c1cccc(c1)-c1cccc(n1)C(O)=O |w:3.3|
OC(=O)c1cccc(n1)-c1ccc2CCC(=NNc3nc4ccccc4s3)c2c1 |w:16.17|
CC1(C)CC(=NNc2nc3ccccc3s2)c2cc(ccc2O1)-c1cccc(n1)C(O)=O |w:5.5|
CCN1CCC(=NNc2nc3ccccc3s2)c2cc(ccc12)-c1cccc(n1)C(O)=O |w:6.6|
OC(=O)c1cccc(n1)-c1ccc2c(c1)C(CCS2(=O)=O)=NNc1nc2ccccc2s1 |w:21.24|
OC(=O)c1coc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:16.17|
OC(=O)c1cccc(n1)-c1ccc2OCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
OC(=O)c1cccc(n1)-c1ccc2c(c1)C(CCS2=O)=NNc1nc2ccccc2s1 |w:20.23|
CC1CCC(=NNc2nc3ccccc3s2)c2cc(ccc12)-c1cccc(n1)C(O)=O |w:5.5|
OC(=O)c1csc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:16.17|
OC(=O)c1cccc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
CC1CC(=NNc2nc3ccccc3s2)c2cc(ccc2C1)-c1cccc(n1)C(O)=O |w:4.4|
OC(=O)c1cccc(n1)-c1ccc2SCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
OC(=O)c1cccc(n1)-c1ccc2CCCCC(=NNc3nc4ccccc4s3)c2c1 |w:18.19|
OC(=O)c1cccc(n1)-c1ccc2NCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
CCN1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)c1cc(Cl)c2cccnc2c1O
Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1O
OC(=O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O
COc1c(I)cc(C=O)c2ccccc12
OC(=O)c1cccc(n1)-c1ccc2CCC\C(=N/Nc3nc4ccccc4s3)c2c1
OC(=O)c1csc(n1)-c1ccc2CCC\C(=N/Nc3nc4ccccc4s3)c2c1
OC(=O)c1cccc(n1)-c1ccc2cccc(CNc3nc4ccccc4s3)c2c1
OC(=O)c1cccc(n1)-c1ccc2cccc(C(=O)Nc3nc4ccccc4s3)c2c1
OC(=O)c1cccc(n1)-c1ccc2CCCC(CNc3nc4ccccc4s3)c2c1
OC(=O)c1cccc(n1)-c1ccc2CCCC(C(=O)Nc3nc4ccccc4s3)c2c1
OC(=O)c1cccc(n1)-c1ccc2CCCN(C(=O)Nc3nc4ccccc4s3)c2c1
OC(=O)c1cccc(n1)-c1ccc2ncc(C(=O)Nc3nc4ccccc4s3)n2c1
OC(=O)c1cccc(n1)-c1ccc2scc(C(=O)Nc3nc4ccccc4s3)c2c1
OC(=O)c1cccc(n1)-c1cn2cccc(C(=O)Nc3nc4ccccc4s3)c2n1
OC(=O)c1nc(ccc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1CCCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1CCCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1\C=C\c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(ccc1\C=C\Cc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(sc1CCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(sc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(sc1CCCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
[H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13|
[H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13|
[H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCCCCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13|
[H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCc1ccc(O)c(O)c1)[C@@]2([H])[C@]34[H] |r,c:5,13|
[H][C@]12C[C@@]3([H])[C@@H](O)C=C(C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CC\C=C\Cc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:14,t:7|
[H][C@@]12C[C@]3([H])[C@@H](\C=C\C(O)=O)[C@@]4([H])C=C[C@]3([H])[C@]1([H])[C@@]4([H])[C@H]2CCCc1ccc(O)cc1 |r,c:13,TLB:1:17:3.5:13.14,21:19:3.5:13.14,6:5:17.19:13.14,THB:2:3:17.19:13.14,14:15:1.2:19.5.11|
CN(C)CC#Cc1cc(F)c(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1F
CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1F
CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c(Cl)c1
CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1
CN1CCN(CCCNc2ncnc3n(ncc23)-c2ccc(OCCCc3sc(nc3C(O)=O)N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)cc2)CC1
CN(C)CCCNc1ncnc2n(ncc12)-c1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1
OC(=O)c1nc(sc1CCCOc1ccc(cc1)-n1cccn1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(sc1CCCCOc1ccc(cc1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(sc1CCCOc1ccc(cc1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(sc1CCOc1ccc(cc1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(sc1CCCOc1cccc(c1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(sc1CCOc1cccc(c1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
c1nn(-c2ccccc2)c2ncncc12
OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1
OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Cc1ccc(Cl)cc1
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1cnc(nc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
[O-][S@+](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(Cc2ccccc2-c2ccc(Cl)cc2)(CC1)C#N |r|
CN(C)C(=O)COc1cccc(c1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)-c1ccc(Cl)cc1 |r|
CN(C)C(=O)COc1ccc(c(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)c1)-c1ccc(Cl)cc1 |r|
CN(C)CCOc1cccc(c1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)-c1ccc(Cl)cc1 |r|
CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)c1)-c1ccc(Cl)cc1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=N)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1-[#7]-[#6@H](-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-[#6]-[#16]-c1ccccc1)S(=O)(=O)[#7]\[#6](=[#6]-1/[#6]-[#8]-[#6]-1)-c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-c2ccccc2-c2ccc(Cl)cc2)-[#6]-[#6]-1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(nn1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1csc(n1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CC2(CN(Cc3ccccc3-c3ccc(Cl)cc3)C2)C1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)P1(=O)CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCP(=O)(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)Oc1ccccc1-c1ccc(Cl)cc1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)C(=O)c1ccccc1-c1ccc(Cl)cc1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)Sc1ccccc1-c1ccc(Cl)cc1 |r|
[O-][S@@+](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)S(=O)(=O)c1ccccc1-c1ccc(Cl)cc1 |r|
NCC1(Cc2ccccc2-c2ccc(Cl)cc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r|
CCOC(=O)C1(Cc2ccccc2-c2ccc(Cl)cc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r|
OCC1(Cc2ccccc2-c2ccc(Cl)cc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ncc(Cl)cn2)CC1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccncc2-c2ccc(Cl)cc2)CC1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2cccnc2-c2ccc(Cl)cc2)CC1 |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2cn[nH]c2-c2ccc(Cl)cc2)CC1 |r|
Cn1ncc(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)c1-c1ccc(Cl)cc1 |r|
OC(=O)c1nc(sc1CCCCc1ccccc1)-c1ccc2CCC\C(=N/Nc3nc4ccccc4s3)c2c1
CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCc3ccc(cc3)Br)C(=O)O
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2cccc(c2)-c2ccccc2)CC1 |r|
CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCC(C)C)C(=O)O
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(c(C)c1)-c1cccc2c(CCCOc3cccc4ccccc34)c(nn12)C(O)=O |r|
C\C(=N/Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)S(=O)(=O)NC(=O)CCCCCc1ccccc1
CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C)c1-c1ccc(Cl)cc1
CC(C)(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O
OC(=O)c1ccccc1C(=O)c1ccc(Sc2ccc(Cl)cc2)c(c1)[N+]([O-])=O
Cc1cc(Cl)cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccc(Cl)cc2)c1O
CCOC(=O)C1=C(C)C(c2ccccc2)n2c(=N1)s\c(=C\n1cc(Cc3ccc(cc3)-c3ccccc3)c3ccccc13)c2=O |c:5,17|
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](CC(O)=O)Cc3cccc4ccccc34)c2c1 |r|
[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 |r|
Cc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 |r|
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1=O |r|
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)C2=O)cc1 |r|
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1=O |r|
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1=O |r|
[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 |r|
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)C2=O)cc1 |r|
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1=O |r|
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1=O |r|
[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 |r|
COC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)C2=O)cc1 |r|
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)C2=O)cc1 |r|
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r|
Clc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r|
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r|
[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r|
Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r|
Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r|
[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r|
COC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r|
[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r|
O=C(NS(=O)(=O)c1ccccc1)[C@H](Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r|
Brc1ccc(C[C@H](N2C(=S)S\C(=C/c3ccc(cc3)-c3ccccc3)C2=O)C(=O)NS(=O)(=O)c2ccccc2)cc1 |r|
CSCC[C@H](N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O)C(=O)NS(=O)(=O)c1ccccc1 |r|
CC[C@H](C)[C@H](N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O)C(=O)NS(=O)(=O)c1ccccc1 |r|
CC(C)[C@H](N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O)C(=O)NS(=O)(=O)c1ccccc1 |r|
C[C@H](N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O)C(=O)NS(=O)(=O)c1ccccc1 |r|
CC1=NN(C(=O)\C1=C\c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
CN(C)c1ccc(cc1)-c1cc(O)cc(c1)N1N=C(C)\C(=N\Nc2ccc3ccccc3c2)C1=O |t:19|
CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cccc(c1)-c1ccc(cc1)N(C)C |c:14|
CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccc(cc1)C(C)C |c:14|
CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1cccc(N)c1 |c:14|
CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1cccs1 |c:14|
CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccncc1 |c:14|
CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccccc1 |c:14|
CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccc(cc1)N(C)C |c:14|
CCOc1ccccc1C(=O)C(=O)C1C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:16|
CCOc1ccccc1CC(=O)C1C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:15|
CC1=NN(C(=O)\C1=C\c1ncc[nH]1)c1nc(cs1)-c1ccccc1 |t:1|
CC1=NN(C(=O)\C1=C\c1ccc2ccccc2c1)c1nc(cs1)-c1ccccc1 |t:1|
CC1=NN(C(=O)\C1=C\c1ccc(cc1)-c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
CC1=NN(C(=O)\C1=C\C(c1ccccc1)c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
CCOc1ccccc1N\N=C1/C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:14|
Cc1nn(C)c(COc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12 |(-2.81,-12.36,;-3.79,-13.11,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-6.15,-13.92,;-7.69,-13.93,;-8.44,-15.28,;-9.98,-15.29,;-10.74,-16.63,;-12.28,-16.64,;-13.06,-15.32,;-12.3,-13.98,;-10.76,-13.96,;-14.6,-15.33,;-15.37,-16.67,;-16.91,-16.68,;-17.68,-15.35,;-16.92,-14.01,;-15.38,-14,;-19.23,-15.36,;-19.85,-14.3,;-19.83,-16.43,;-20.46,-15.37,;-5.26,-12.68,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,)|
OC(=O)c1[nH]c2ccccc2c1CCCCC1CCCCC1
OC(=O)c1c(CCOc2cccc3ccccc23)c2cccc3SCCn1c23
OC(=O)c1c(CCOc2cccc3ccccc23)c2cccc3CCCn1c23
OC(=O)c1c(CCOc2cccc3ccccc23)c2cccc3OCCn1c23
OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3SCCn1c23
c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5
OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3OCCn1c23
OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCS3(=O)=O
OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3SCCCn1c23
OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3[S+]([O-])CCCn1c23
OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCS3(=O)=O
OC(=O)c1c(CCCOc2cccc3CCCCc23)c2cccc3SCCn1c23
OC(=O)c1c(CCCOc2ccc(Cl)c3ccccc23)c2cccc3SCCn1c23
OC(=O)c1c(CCCOc2ccc3CCCCc3c2)c2cccc3SCCn1c23
Cc1cc(OCCCc2c(C(O)=O)n3CCSc4cccc2c34)ccc1Cl
Cc1cc(OCCCc2c(C(O)=O)n3CCSc4cccc2c34)cc(C)c1Cl
Cc1cc(OCCCc2c(C(O)=O)n3CCCc4cccc2c34)cc(C)c1Cl
Cc1cc(OCCCc2c(C(O)=O)n3CCCSc4cccc2c34)cc(C)c1Cl
Cc1cc(OCCCc2c(C(O)=O)n3CCCc4c(Cl)ccc2c34)cc(C)c1Cl
Cc1cc(OCCCc2c(C(O)=O)n3CCOc4c(Cl)ccc2c34)cc(C)c1Cl
Cc1ccccc1N1C(=S)S\C(=C/c2cccc(OCc3ccc(cc3)C(O)=O)c2)C1=O
COc1ccccc1N1C(=S)S\C(=C/c2ccc(OCc3ccc(cc3)C(O)=O)cc2)C1=O
COc1ccccc1N1C(=S)S\C(=C/c2cccc(OCc3ccc(cc3)C(O)=O)c2)C1=O
Cc1cccc(C)c1N1C(=S)S\C(=C/c2ccc(OCc3ccc(cc3)C(O)=O)cc2)C1=O
OC(=O)c1ccc(COc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(Br)cc3)cc2)cc1
OC(=O)c1ccc(COc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(I)cc3)cc2)cc1
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(C=O)cc2)C1=O |r|
Cc1cccc(c1)-c1ccc(C[C@@H]2NC(=O)N([C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)C2=O)cc1 |r|
Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(cc2)-c2cccc(C)c2)C1=O |r|
[O-][N+](=O)c1cccc(c1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]1CNC[C@@H]1NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
CC(C)C(=O)NCc1cccc(c1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(15.35,6.87,;14.12,6.85,;13.49,7.91,;13.37,5.5,;14,4.44,;11.83,5.48,;11.08,4.13,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,;7.24,2.75,;8.78,2.77,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccc(o1)C(=O)NCc1ccccc1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.78,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;8.76,2.91,;9.06,4.42,;7.72,5.17,;6.59,4.13,;7.54,6.7,;8.52,7.44,;6.12,7.31,;5.94,8.84,;4.52,9.44,;4.33,10.97,;2.92,11.57,;1.68,10.65,;1.87,9.12,;3.29,8.52,)|
CC(C)CC(=O)NCc1cccc(c1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(16.26,7.95,;15.66,6.87,;16.29,5.81,;14.12,6.85,;13.37,5.5,;14,4.44,;11.83,5.48,;11.08,4.13,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,;7.24,2.75,;8.78,2.77,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccnc(NC2Cc3ccccc3C2)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.32,5.64,;13.64,7.14,;14.98,7.91,;14.96,9.47,;13.62,10.23,;12.28,9.44,;12.3,7.9,;11.17,6.86,;8.78,2.77,)|
CC(C)CCNc1cc(ccn1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(15.35,6.87,;14.12,6.85,;13.49,7.91,;13.37,5.5,;11.83,5.48,;11.08,4.13,;9.54,4.11,;8.78,2.77,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccc(o1)C(=O)NCc1ccncc1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;8.76,2.91,;9.06,4.42,;7.72,5.17,;6.59,4.13,;7.54,6.7,;8.52,7.44,;6.12,7.31,;5.94,8.84,;4.52,9.44,;4.33,10.97,;2.92,11.57,;1.68,10.65,;1.87,9.12,;3.29,8.52,)|
CN(CCc1ccccc1)c1cc(ccn1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(11.71,3.08,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14.12,6.85,;15.66,6.87,;16.41,8.22,;15.62,9.54,;14.08,9.52,;13.33,8.17,;9.54,4.11,;8.78,2.77,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccnc(NCCc2ccccc2)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14.12,6.85,;15.66,6.87,;16.41,8.22,;15.62,9.54,;14.08,9.52,;13.33,8.17,;8.78,2.77,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(CNC(=O)c2cccn2C)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14,4.44,;14.12,6.85,;13.46,8.22,;14.59,9.27,;15.93,8.53,;15.64,7.01,;16.47,6.11,;8.78,2.77,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(CNC(=O)c2cccc(c2)C(F)(F)F)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14,4.44,;14.12,6.85,;15.66,6.87,;16.41,8.22,;15.62,9.54,;14.08,9.52,;13.33,8.17,;13.28,10.84,;13.88,11.91,;12.05,10.82,;12.65,11.89,;8.78,2.77,)|
CC(=O)NCc1cccc(c1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(14,4.44,;13.37,5.5,;13.97,6.58,;11.83,5.48,;11.08,4.13,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,;7.24,2.75,;8.78,2.77,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(CNC(=O)c2ccoc2)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14,4.44,;14.12,6.85,;13.46,8.22,;14.59,9.27,;15.93,8.53,;15.64,7.01,;8.78,2.77,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(CNC(=O)c2ccccc2C(F)(F)F)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14,4.44,;14.12,6.85,;13.33,8.17,;14.08,9.52,;15.62,9.54,;16.41,8.22,;15.66,6.87,;16.45,5.55,;17.68,5.57,;15.85,4.47,;17.08,4.49,;8.78,2.77,)|
c1cc(ccc1C2=C(COCC2)CN3CCN(CC3)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NC6CCOCC6)Cl
Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)cc1Cc1ccccc1
COc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)cc1Cc1ccccc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccccc2)cc1
COc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)C(=O)c1ccccc1
Cc1cccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)c1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
Cc1ccccc1\C=C\C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
COc1ccccc1\C=C\C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
COc1cccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)c1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2cccc(Cl)c2)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccc(cc2)C(F)(F)F)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc3ccccc3)c(c1)[N+]([O-])=O)C(C)(C)CCC2(C)C
Cc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccccc2Cl)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2cccc(c2)C(F)(F)F)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccccc2C(F)(F)F)cc1
Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc3ccccc3)c(c1)[N+]([O-])=O)C(C)(C)CCC2(C)C
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r|
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn(Cc2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc12 |r|
Clc1ccc(cc1)-c1ccc(Cn2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)c3ccccc23)cc1 |r|
CC(C)C[C@H](NC(=O)c1cn(Cc2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc12)C(=O)NS(=O)(=O)c1ccccc1 |r|