357 SMILES Strings for Beta-lactamase TEM

Compound Name
SMILES String
B(c1cccc(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)(O)O
OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)B(O)O)c1
OB(O)c1cccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)c2)c1
COC(=O)C1N2[C@@H](CC2=O)O\C1=C(/C\C=C\c1ccccc1)C=O
OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C
C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3
C=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:6.14|
C=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1 |w:11.13|
C=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1(CC=C)C(=O)OCc1ccccc1 |w:6.14|
O=CC(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:12.21,4.3|
O=CC=C1O[C@@H]2CC(=O)N2C1(CC=Cc1ccccc1)C(=O)OCc1ccccc1 |w:12.13,2.1|
OCC=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:8.16,3.3|
OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1 |w:13.15,3.3|
CC(=O)OCC=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:11.19,6.6|
CC(=O)OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1 |w:16.18,6.6|
COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O |w:6.5,21.24|
COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=C)C=O |w:11.12|
COC(=O)C1(CC=C)N2[C@@H](CC2=O)OC1=CC=O |w:15.17|
CC(C)(C)C(=O)OCOC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C=O |w:18.19,21.22|
CC(C)(C)C(=O)OCOC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O |w:13.12,28.31|
OC(=O)C(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:7.15|
OC(=O)C(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:13.22,5.4|
OC(=O)C=C1O[C@@H]2CC(=O)N2C1(C\C=C\c1ccccc1)C(=O)OCc1ccccc1 |r,w:3.2|
COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=C)C(O)=O |w:11.12|
COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C(O)=O |w:11.12,14.15|
COC(=O)C1(C\C=C\c2ccccc2)N2[C@@H](CC2=O)OC1=CC(O)=O |r,w:21.24|
CC(C)(C)C(=O)OCOC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C(O)=O |w:18.19,21.22|
OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:6.14|
OCC(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:12.21,4.3|
OCC=C1O[C@@H]2CC(=O)N2C1(CC=C)C(=O)OCc1ccccc1 |w:2.1|
ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4|
COC(=O)C1N2[C@@H](CC2=O)O\C1=C1/CC(CI)OC1=O |r|
CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r|
[N-]=[N+]=NCC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r|
CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(O)=O |r|
CC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(O)=O |r,w:3.3|
CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(O)=O |w:7.15|
COC(=O)C1N2[C@@H](CC2=O)OC1=C(CCCc1ccccc1)C(O)=O |w:11.12|
CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OC |w:7.15|
CCCC(CO)=C1O[C@@H]2CC(=O)N2C1C([O-])=O |w:6.14|
CCCC1(N2[C@@H](CC2=O)OC1=CCO)C([O-])=O |w:11.13|
COC(=O)C1N2[C@@H](CC2=O)OC1=C(CCCc1ccccc1)C(=O)OC |w:11.12|
OC(=O)C(CC=CCN(Cc1ccccc1)C(=O)OCc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:26.36,5.4|
ICC1CC(CO1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4,2.1|
CC(=O)NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)(F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OCC(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(C)(F)C(O)=O |r,t:1|
CC(=O)NNC(=O)[C@H]1N2C[C@@H](C=C1C)N(OC(F)C(O)=O)C2=O |r,c:11|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2OC(F)C(O)=O |r,t:1|
CC1=C[C@H](N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O)C(N)=O |r,t:1|
CC1=C[C@H](N2C[C@@H]1N(O[C@@H](F)C(O)=O)C2=O)C(N)=O |r,t:1|
NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@H](F)C(O)=O)C2=O |r,c:7|
NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@@H](F)C(O)=O)C2=O |r,c:7|
CC1=C[C@@H]2CN([C@@H]1c1nnc(o1)C(N)=O)C(=O)N2OC(F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NOCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CCCN1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CC(F)(F)CN1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NC1COC1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(C)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1ncco1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NOCC1CC1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCCC(N)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CCC(=O)N1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCC[C@@H]1CCC(=O)N1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1CNC(=O)OC(C)(C)C)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1CN)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC(=O)NC[C@H]1N2C[C@@H](C=C1C)N(O[C@@H](F)C(O)=O)C2=O |r,c:9|
CC1=C[C@@H]2CN([C@@H]1CNC(=O)C(F)(F)F)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCC#N)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCO)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC(=O)NCNC(=O)[C@H]1N2C[C@@H](C=C1C)N(O[C@@H](F)C(O)=O)C2=O |r,c:12|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCNS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@H](N2C[C@@H]1N(OC(F)(F)C(O)=O)C2=O)C(N)=O |r,t:1|
CC1=C[C@H](N2C[C@@H]1N(OCC(O)=O)C2=O)C(N)=O |r,t:1|
CC1=C[C@@H](C#N)N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O |r,t:1|
NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2O[C@H](F)C(O)=O |r|
OC(=O)C(F)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CCNCC2)C1=O |r|
OB(O)c1cccc(Br)c1
Cc1ccc(CCB(O)O)cc1
OB(O)CCc1ccc2ccccc2c1
OB(O)CCc1ccc(Cl)cc1
O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O
OB(O)c1ccc(Br)cc1
COc1ccc(cc1)B(O)O
Cc1cccc(CCB(O)O)c1
OB(O)c1ccc(F)c(Cl)c1
COc1cccc(CCB(O)O)c1
Cc1ccccc1CCB(O)O
OB(O)CCC1CCCCC1
OB(O)c1ccc(Cl)cc1Cl
OB(O)c1cccc(c1)-c1ccccc1
OB(O)CCc1cccc2ccccc12
OB(O)c1ccc(Cl)c(Cl)c1
B(c1ccccc1)(O)O
B(c1cccc(c1)N)(O)O
OB(O)CCc1ccccc1Cl
B(CCc1ccccc1)(O)O
OB(O)CCc1ccc(cc1)C(F)(F)F
OB(O)CCc1ccc(cc1)C(O)=O
C[C@@H](O)[C@@H]1[C@@H]2N(C1=O)C(C([O-])=O)=C(C(C)(C)C)S2(=O)=O |t:12|
C[C@@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C([O-])=O)C(C)(C)C |c:6|
C[C@@H](O)[C@@H]1[C@@H]2N(C1=O)C(C([O-])=O)=C(S2=O)C(C)(C)C |c:12|
CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C([O-])=O
CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C([O-])=O
CC(C)[C@H](NC[C@H]1OCC[C@H]1SC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C(O)=O)C(O)=O |t:13|
CC1(C)[C@@H](N2[C@@H]([C@@H](CO)C2=O)S1(=O)=O)C(O)=O
C[C@@H](O)[C@@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
C[C@H](O)[C@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
C[C@H](O)[C@@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O
C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)O[Na] |r|
C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
C[C@]1(\C=C\C#N)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
CO\N=C\[C@@]1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
C[C@]1(\C=C/C#N)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@@H]1C)C([O-])=O |t:2|
COC1=C(N2[C@H](C1)[C@@H]([C@@H](C)O)C2=O)C([O-])=O |t:2|
COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C([O-])=O |t:2|
COC(=O)c1cnnn1C[C@@]1(C)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
CCOC(=O)c1cn(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C([O-])=O)nn1
COC(=O)c1nnn(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C([O-])=O)c1C(=O)OC
C[C@]1(Cn2ccnn2)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
C[C@]1(Cn2nncc2C([O-])=O)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
C[C@]1(Cn2cc(nn2)C([O-])=O)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
C[C@]1(Cn2cc(N)nn2)[C@@H](C2C(CC2=O)S1(=O)=O)C(O)=O
COC(=O)c1cn(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C([O-])=O)nn1
C[C@]1(Cn2cc(nn2)[Si](C)(C)C)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
CCOC(=O)c1cnnn1C[C@@]1(C)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
Cc1ccc(cc1N1CCC1=O)C(O)=O
Cc1ccc(cc1N1CC(F)C1=O)C(O)=O
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r|
Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl |r|
OC(=O)c1ccc2C(F)CC3CC(=O)N3c2c1
OC(=O)c1ccc2CCC3CC(=O)N3c2c1
Cc1ccc(cc1N1CC(Br)(Br)C1=O)C(O)=O
Cc1ccc(cc1N1CC(F)(F)C1=O)C(O)=O
OC(=O)c1ccc2C(Cl)CC3CC(=O)N3c2c1
Cc1ccc(cc1N1CC(F)(Br)C1=O)C(O)=O
Cc1ccc(cc1N1CC(Br)C1=O)C(O)=O
CC(=O)OCC1=C(N2[C@@H](\C(=C\Br)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
[#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@@H](\[#6](=[#6](\Cl)Cl)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](-[#8-])=O |t:5|
CON(C)C(=O)\C=C1/[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O |c:16|
[#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@@H](\[#6](=[#6](\Br)Br)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](-[#8-])=O |t:5|
[#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@H](-[#16]-[#6]-1)\[#6](=[#6](\Cl)Cl)-[#6]-2=O)-[#6](-[#8-])=O |t:5|
CC(=O)OCC1=C(N2[C@H](SC1)\C(=C\Br)C2=O)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C(C)(C)C)C2=O)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@@H](\C(=C\c3ccccc3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccc3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@H](SC1)C(=CC(C)=O)C2=O)C([O-])=O |w:12.13,t:5|
CC(=O)OCC1=C(N2[C@@H](C(=C=CC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |wU:8.7,t:5,(16.92,-5.61,;15.59,-6.38,;15.59,-7.93,;14.24,-5.62,;12.91,-6.4,;11.56,-5.63,;10.23,-6.4,;8.9,-5.63,;8.9,-4.09,;7.36,-4.09,;6.28,-3.01,;5.19,-1.92,;3.69,-2.32,;3.3,-.82,;4.09,-3.81,;2.2,-2.71,;7.36,-5.63,;6.28,-6.7,;10.23,-3.32,;9.22,-2.13,;11.56,-2.55,;11.56,-4.09,;10.23,-7.94,;11.56,-8.71,;8.9,-8.71,)|
CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C=O)C2=O)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@@H](\C(=C/C(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C(=O)OC(C)(C)C)C2=O)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@@H](\C(=C/CO)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
[#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@H](-[#16]-[#6]-1)\[#6](=[#6](\Br)Br)-[#6]-2=O)-[#6](-[#8-])=O |t:5|
CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/c1ccccc1)C2=O)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/c1ccccn1)C2=O)C([O-])=O |t:5|
OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
COC(=O)\C=C\CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(N)cc3)C2=O)S1(=O)=O)C(O)=O
COC(=O)\C=C\CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
CC(=O)CC=CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O |w:4.3|
CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(F)cc3)C2=O)S1(=O)=O)C(O)=O
CON(C)C(=O)\C=C\CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2=O)C1=O
CC(=O)CC=CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O |w:4.3|
CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC4CCCN4)nn3)C2=O)S1(=O)=O)C(O)=O
CC1(C)[C@@H](N2[C@H](C(C\C=C\C#N)C2=O)S1(=O)=O)C(O)=O
CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccccc3)C2=O)S1(=O)=O)C(O)=O
CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC(N)Cc4ccc(O)cc4)nn3)C2=O)S1(=O)=O)C(O)=O
CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(O)=O
CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(O)cc3)C2=O)S1(=O)=O)C(O)=O
CC1(C)S[C@@H]2[C@H](S)C(=O)N2[C@H]1C(O)=O
CC1(C)[C@@H](N2[C@@H]([C@H](CS)C2=O)S1(=O)=O)C(O)=O
CC1(C)S[C@@H]2[C@@H](S)C(=O)N2[C@H]1C(O)=O
CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C(O)=O
CC1(C)S[C@@H]2[C@H](CS)C(=O)N2[C@H]1C(O)=O
CC1(C)S[C@@H]2[C@@H](CS)C(=O)N2[C@H]1C(O)=O
CC1(C)[C@@H](N2[C@@H]([C@@H](S)C2=O)S1(=O)=O)C(O)=O
CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C(O)=O
CC1(C)[C@@H](N2[C@@H]([C@@H](CS)C2=O)S1(=O)=O)C(O)=O
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c3CCCc3sc2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2COCCn12 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCn2n1 |t:3|
Cc1cccc2sc3nc(\C=C4/[C@H]5SC=C(N5C4=O)C(=O)O[Na])cn3c12 |r,c:14|
Cc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:16|
[Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1ccccc21 |r,t:4|
[Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1cc(Cl)ccc21 |r,t:4|
Fc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:16|
COc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:17|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CNCCn2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(Cc3cccnc3)CCc2s1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCCn2n1 |t:3|
COc1ccc(CN2CCc3sc(\C=C4/[C@H]5SC=C(N5C4=O)C([O-])=O)cc3C2)cc1 |c:17|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2COCCn2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2OCCCn2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(CCc2s1)c1cc2COCCc2s1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCOCc2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CS(=O)(=O)CCn2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCSCc2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCNCc2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCCn2n1 |t:3|
CN1CCn2cc(\C=C3/[C@H]4SC=C(N4C3=O)C([O-])=O)nc2C1 |c:11|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCSCc2n1 |t:3|
OCCN(CCO)Cc1ccc2sc(cc2c1)B(O)O
Cc1ccc2sc(cc2c1)B(O)O
B(c1cc2ccccc2s1)(O)O
OB(O)c1cc2cc(CNc3ccc(Cl)c(Cl)c3)ccc2s1
Nn1cn[n+](Cc2ccc3sc(cc3c2)B(O)O)c1
Nc1ccc2sc(cc2c1)B(O)O
OB(O)c1cc2cc(Br)ccc2s1
OB(O)c1cc2cc(COc3ccc(Cl)c(Cl)c3)ccc2s1
B(c1cc2cc(ccc2s1)CN(C=O)C=O)(O)O
OB(O)c1cc2cc(CNc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)ccc2s1
OB(O)c1cc2cc(CNc3cccc(c3)[N+]([O-])=O)ccc2s1
OB(O)c1cc2cc(CNC=O)ccc2s1
OB(O)c1cc2cc(CNc3cccc(c3)B(O)O)ccc2s1
OB(O)C1=CCCS1 |t:3|
OB(O)c1cc2cc(Cn3ccnc3)ccc2s1
OB(O)c1cc2cc(CNc3ccc(cc3)N3CCOCC3)ccc2s1
OB(O)c1cc2cc(CN3CCNCC3)ccc2s1
OB(O)c1cc2cc(COc3ccccc3)ccc2s1
COc1ccc(NCc2ccc3sc(cc3c2)B(O)O)cc1OC
OB(O)c1cc2cc(CSc3ccccc3)ccc2s1
CC(=O)c1ccc(NCc2ccc3sc(cc3c2)B(O)O)cc1
OB(O)c1cc2cc(COCc3ccccc3)ccc2s1
OB(O)c1cc2cc(O)ccc2s1
OB(O)c1cc2cc(CNCC(O)=O)ccc2s1
[H][C@]12S[C@@](C)(CSc3nccn3C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
[H][C@]12S[C@@](C)(CSc3nc4ccccc4o3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nncn1C)S2(=O)=O
[H][C@]12S[C@@](C)(CSc3nc[nH]n3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
[H][C@]12S[C@@](C)(CSc3nc4ccccc4s3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nc3ccccc3[nH]1)S2(=O)=O
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSC1=NCCS1)S2(=O)=O |t:15|
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nccn1C)S2(=O)=O
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nc3ccccc3o1)S2(=O)=O
[H][C@]12S[C@@](C)(CSC3=NCCS3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O |t:7|
[H][C@]12S[C@@](C)(CSc3nnnn3C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O
CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C([O-])=O)C2=O)C([O-])=O |t:5|
CC(C)(C)OC(=O)\C=C1/[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O
CC1(C)[C@@H](N2[C@@H](\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
CC(=O)C=C1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O |w:3.2|
COC(=O)\C=C1/[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
CC(=O)OCC1=C(N2[C@@H](C(=C=C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@@H](C(=C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@@H](\C(=C/C([O-])=O)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
COC(=O)\C=C1/[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O
COC(=O)\C=C1/[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O |c:14|
COC(=O)\C=C1/[C@@H]2N(C1=O)C(C([O-])=O)=C(COC(C)=O)CS2(=O)=O |t:14|
CC(C)(C)OC(=O)\C=C1/[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
CC1(C)S[C@H]2N([C@H]1C([O-])=O)C(=O)\C2=C\C([O-])=O
C\C=C1/[C@H]2C3CSCCC3=C(N2C1=O)C([O-])=O |c:10|
C\C=C1/[C@@H]2C3CCCCC3=C(N2C1=O)C([O-])=O |c:10|
C\C=C1/[C@@H]2C3CSCCC3=C(N2C1=O)C([O-])=O |c:10|
C\C=C1/[C@H]2C3CCCCC3=C(N2C1=O)C([O-])=O |c:10|
OC(=O)c1ccc(cc1CS)-c1ccc(F)cc1
OC(=O)c1ccc(cc1CS)-c1cccc(Cl)c1Cl
[#8-]-[#6](=O)-c1ccccc1\[#6](=[#6]-1\[#6]=[#6](I)-[#6](=O)-[#6](I)=[#6]-1)-c1cc(I)c(-[#8-])c(I)c1 |c:18,t:12|
CCCCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:21|
C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCF)C3=C(N2C1=O)C([O-])=O |c:14|
CCO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:19|
CCCCO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:21|
C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCC#N)C3=C(N2C1=O)C([O-])=O |c:15|
CCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:19|
CO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:18|
C\C=C1/[C@H]2[C@H]3CCC[C@H](OC(C)C)C3=C(N2C1=O)C([O-])=O |c:14|
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CCO[C@@H]3CN)=C(N2C1=O)C(O)=O |c:16|
CC(C)CCCCCCCCCCCCCc1cccc(O)c1C(O)=O
CCC(C)CCCCCCCCCCCCc1cccc(O)c1C(O)=O
CCCCCCCCCCCCCCCc1cccc(O)c1
OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O
CC\C=C/C\C=C/C\C=C/CCCCCCCc1cccc(O)c1C(O)=O
CCCCCCCCCCCCCCCc1cccc(O)c1O
CCCCCCCCCCc1cccc(O)c1O
CCCCCCCCCCc1ccccc1C(O)=O
CCCCCCCCCCc1cccc(O)c1
CCCCCCCCc1cccc(O)c1C(O)=O
CCCCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O
CCCCCCCCCCc1cccc(OC)c1C(O)=O
CCCCCCCCCCc1cccc(O)c1C(O)=O
NCc1ccc(cc1)C(=O)N[C@H]1Cc2cccc(C(O)=O)c2OB1O |r|
B(c1c(c2ccccc2s1)/C=C/C(=O)O)(O)O
CC(C)C[C@@H](NC(=O)[C@H](C)CS)B(O)O |r|
C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
COc1ccc(C[C@H](NC(=O)[C@H](C)CS)B(O)O)cc1 |r|
C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccc2ccccc2c1 |r|
CC(C)[C@@H](NC(=O)[C@H](C)CS)B(O)O |r|
OB(O)[C@@H](Cc1coc2ccccc12)NC(=O)CCS |r|
OB(O)[C@@H](Cc1coc2ccccc12)NC(=O)CS |r|
CCCC(=O)NCB(O)O
CCC(=O)NCB(O)O
OB(O)[C@H](Cc1ccccc1)NC(=O)C(CS)Cc1ccccc1 |r|
OB(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS)N1C(=O)c2ccccc2C1=O |r|
OB(O)[C@H](Cc1ccccc1)NC(=O)CCS |r|
CCC(=O)N[C@@H](Cc1ccccc1)B(O)O |r|
C[C@H](CS)C(=O)N[C@@H](Cc1ccc(F)cc1)B(O)O |r|
C[C@H](CS)C(=O)N[C@@H](Cc1coc2ccccc12)B(O)O |r|
B([C@@H](Cc1coc2c1cccc2)NC(=O)[C@H](C)CS)(O)O
B([C@H](c1ccc(cc1)F)NC(=O)[C@H](C)CS)(O)O
B([C@@H](c1ccc(cc1)F)NC(=O)[C@H](C)CS)(O)O
C[C@H](CS)C(=O)N[C@@H](B(O)O)c1ccc2ccccc2c1 |r|
B([C@H](Cc1ccccc1)NC(=O)[C@H](C)CS)(O)O
C[C@H](CS)C(=O)N[C@@H](B(O)O)c1ccccc1 |r|
B(CNC(=O)[C@H](C)CS)(O)O
C[C@H](CS)C(=O)NCC(O)=O |r|
OB(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS)NCc1ccccc1 |r|
C[C@H](CS)C(=O)N[C@H](Cc1ccc(F)cc1)B(O)O |r|
C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccccc1 |r|
C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccc(C)cc1 |r|
CC(C)[C@H](NC(=O)[C@H](C)CS)B(O)O |r|
CCCC(=O)N[C@@H](Cc1ccccc1)B(O)O |r|
CC(C)C[C@H](NC(=O)[C@H](C)CS)B(O)O |r|
OB(O)[C@H](Cc1ccccc1)NC(=O)CS |r|
C[C@H](CS)C(=O)N[C@@H](B(O)O)c1ccc(C)cc1 |r|
COc1ccc(C[C@@H](NC(=O)[C@H](C)CS)B(O)O)cc1 |r|
C[C@H](CS)C(=O)N[C@H](Cc1ccccc1)B(O)O |r|
CC(=O)N[C@@H](Cc1cccc(c1)C(O)=O)B(O)O |r|
c1cc(c(cc1Cl)Cl)CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]21[H]
Oc1c(I)cc(cc1I)C1(OC(=O)c2ccccc12)c1cc(I)c(O)c(I)c1
OB1OC(c2ccccc12)c1ccccc1
OB1OC(c2cccs2)c2ccccc12
OB1OC(c2c[nH]c3ccccc23)c2ccccc12
OB1OC(c2ccccc12)c1c[nH]c2ccc(F)cc12
OB1OC(c2ccccc12)c1c[nH]c2ccc(Cl)cc12
OB1OC(c2ccccc12)c1c[nH]c2ccc(Br)cc12
Cc1ccc2[nH]cc(C3OB(O)c4ccccc34)c2c1
OB1OC(c2ccccc12)c1c[nH]c2ccc(OCc3ccccc3)cc12
OB1OC(c2ccccc12)c1cn(Cc2ccccc2)c2ccccc12
OB1OC(c2c[nH]c3ccccc23)c2c1cccc2F
OB1OC(c2ccc(F)cc12)c1c[nH]c2ccc(Br)cc12
CN(C)c1ccc(cc1)C1OB(O)c2ccccc12
CNc1ccc(cc1)C1OB(O)c2ccccc12
OB1OC(c2ccccc12)c1ccc(cc1)N1CCCCC1
CN(C)c1ccc(cc1)C1OB(O)c2cccc(F)c12
CNc1ccc(cc1)C1OB(O)c2cccc(F)c12
CN(C)c1ccc(cc1)C1OB(O)c2ccc(Cl)cc12
CN(C)c1ccc(cc1)C1OB(O)c2ccc(F)cc12
COc1ccc2B(O)OC(c2c1)c1ccc(cc1)N(C)C
CN(C)c1ccc(cc1)C1OB(O)c2cc(Cl)ccc12
CN(C)c1ccc(cc1)C1OB(O)c2cc3OCOc3cc12
C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N