233 SMILES Strings for Bcl-2-like protein 2

Compound Name
SMILES String
Cc1nc2sccn2c1-c1csc(Nc2cc(C)ccn2)n1
COc1cc(ccc1OC(C)=O)C1Nc2cccc3cccc(N1)c23
O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
COC(=O)CSc1ncnc2c1sc1nc(-c3ccco3)c3COC(C)(C)Cc3c21
Cc1ccc(o1)-c1cc(-c2ccc(C)cc2)c(C#N)c(N)n1
CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1cccnc1
O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
CSc1nnc2c3cc(C)ccc3n(Cc3ccccc3)c2n1
Cc1cc(n[nH]1)-c1nnc2SCC(=Nn12)c1ccc(cc1)-c1ccccc1 |c:13|
C1CCCN(CC1)c1nc(nc2ccccc12)-c1ccccn1
Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
CCOCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
COc1ccc(CCNC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1OC
COCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCCO)C1=O |t:13|
O=C(NCc1ccccn1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
COCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
COc1cc(cc(OC)c1O)C1Nc2cccc3cccc(N1)c23
COc1cc2nc(=S)[nH]c(NCC3CCCO3)c2cc1OC
O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)NCc1ccco1
Cc1ccc(CNc2ccc3OCOc3c2)c(C)c1
COc1ccc(CC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc1OC
Cc1cc2-c3ccc(C)n3CCn2c1
CCOC(=O)C1CCN(CC1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|
CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O |c:8,t:26|
CCOc1cc(ccc1O)C1Nc2cccc3cccc(N1)c23
O=C(NC1CC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Clc1nc(NCc2cccnc2)nc(n1)N1CCOCC1
OCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CC1N(C)c2cccc3cccc(N1C)c23
FC(F)(F)c1cccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)c1
COc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CC(C)(C)NC(=O)COc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1
COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1OCC(=O)NC(C)(C)C
COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1 |w:9.9|
N(c1ccccc1)c1cccc(Nc2ccccc2)n1
CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCO)C1=O |t:13|
COc1cc2nc(=S)[nH]c(NCCCOC(C)C)c2cc1OC
CCOC(=O)c1ccc(Nc2nc(nc3ccccc23)C(=O)OCC)cc1
O=C(NCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
Cc1cccc(c1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N
COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccco1 |t:11|
CCOCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
COCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
Cc1cc(N)ccc1N1CCCC1
Oc1c(O)c(=O)cc[c-]1C=[NH+]NC(=O)C(NC(=O)c1ccccc1)=Cc1ccc(cc1)[N+]([O-])=O |w:10.11,24.26|
CCN(CC)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
COC(=O)c1c(C(=O)OC)c2cccc3cc(-c4ccccc4)c4ccc1c4n23
CCc1ccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1
CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccc(Cl)cc1
COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1O |w:9.9|
COc1ccc2c(C)nn(C)c3cccc1c23
CCOC(=O)c1nc(Nc2ccc(cc2)C(=O)OC)c2ccccc2n1
CN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
CCN(C1C(=O)C(=O)c2ccccc2C1=O)C(=O)CC
CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccccc1Cl
O=[#6]-1\[#6](=[#6]\c2cn(-[#6]C#C)c3ccccc23)-[#6](=O)-c2ccccc-12
CN(N=Cc1cccnc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
CCN(CC)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:10|
Nc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23
Oc1ccc2cc(Br)ccc2c1C=Nc1ccc2[nH]c(=O)[nH]c2c1 |w:13.15|
CN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:13|
CCN1C(=S)S\C(=C/C=C2\C=CN(CC)c3ccccc23)C1=O |c:10|
Cc1ccc(cc1)C(=O)\C=C\c1ccc(o1)-c1ccc(C)cc1
COc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)ccc1O |w:6.6|
Cc1ccc(cc1)-c1ccc(\C=C\C(=O)c2ccccc2)o1
O=C(\C=C\c1ccc(o1)-c1ccccc1)c1ccccc1
CC\C(=C/c1sc2ccc(OC)cc2[n+]1CCO)\C=C1/Sc2ccc(OC)cc2N1CCO
Cc1nc2ncccn2c1-c1csc(Nc2ccccc2)n1
OCCN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12 |w:4.3,t:15|
Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
COc1ccc(OC)c(c1)-n1c(=O)c2ccccc2c2ccccc2c1=O |(8.56,6.3,;7.89,4.91,;8.76,3.64,;10.29,3.75,;11.16,2.48,;10.49,1.09,;11.36,-.18,;12.9,-.07,;8.96,.98,;8.09,2.25,;8.29,-.41,;9.25,-1.62,;10.75,-1.27,;8.91,-3.12,;10.25,-4,;10.14,-5.6,;8.69,-6.3,;7.38,-5.38,;7.52,-3.78,;6.13,-3.12,;4.97,-4.23,;3.44,-3.76,;3.08,-2.2,;4.26,-1.12,;5.79,-1.62,;6.75,-.41,;6.08,.98,)|
Cc1cc(OCc2cn3cccnc3n2)ccc1Cl
O=C(\C=C/c1ccc(o1)-c1ccccc1)c1ccccc1
COc1ccc(c(OC)c1)-n1c(=O)c2ccccc2c2ccccc2c1=O |(10.09,6.35,;10.96,5.08,;10.29,3.69,;8.76,3.58,;8.09,2.19,;8.96,.92,;10.49,1.03,;11.36,-.24,;12.9,-.12,;11.16,2.42,;8.29,-.47,;9.25,-1.67,;10.75,-1.33,;8.91,-3.17,;10.25,-4.06,;10.14,-5.66,;8.69,-6.35,;7.38,-5.44,;7.52,-3.84,;6.13,-3.17,;4.97,-4.28,;3.44,-3.82,;3.08,-2.26,;4.26,-1.18,;5.79,-1.67,;6.75,-.47,;6.08,.92,)|
CC(=O)NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O |c:4|
Cc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl |c:6|
Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)NCC1CCCO1
Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)cc1C
Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C/c1ccco1)C(=O)NC1CC1
CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc(OCC)cc2)c1=O
Cc1ccc(C)c(\C=C\C(=O)c2ccccc(=O)c2O)c1
COc1ccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1
Clc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 |c:6|
CN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:12.13,1.0|
COc1cc(\C=C2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O
CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NN=Cc1ccc(O)c(O)c1O |w:17.17|
Oc1c(ccccc1=O)C(=O)\C=C\c1ccccc1Cl
CCOC(=O)c1c(NC(C)=O)sc2c(O)c(Br)cc(Br)c12
OCCN1CCN(CCCc2c3CCCc3cc3CCCc23)CC1
CNCc1ccccc1Sc1ccc(O)c(O)c1
Oc1ccc(NCc2ccccc2OCc2ccccc2)cc1
O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCN(CC1)c1ccccn1
O=C(c1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Oc1c([O-])ccc(C[NH+]=Nc2ccc(cc2S(=O)(=O)N2CCOCC2)[N+]([O-])=O)c1O |w:9.9|
CCOc1ccccc1CNc1ccc(O)cc1
CCOC(=O)c1c2-c3ccccc3C(=O)c3c(Cl)ccc([nH]c1=O)c23
COc1cccc2c(SCC(=O)NN=Cc3ccc(O)cc3O)cc(C)nc12 |w:13.12|
Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1
Cc1ccc(cc1)-c1ccc(\C=C2/SC(=NC2=O)N2CCOCC2)o1 |c:15|
COc1cc(CNc2ccc(cc2)N2CCCC2)cc(Cl)c1OC
Fc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23
c1coc(c1)-c1nc2cccc3cccc([nH]1)c23
O=C1c2ccccc2-c2onc3ccc(N4CCCC4)c1c23
O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1nccs1
O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1nccs1
Cc1nnc2ccc(nn12)-c1cccc(NC(=O)c2ccco2)c1
COc1ccc(C)cc1-n1c(=O)c2ccccc2c2ccccc2c1=O |(12.9,.63,;11.36,.51,;10.49,1.79,;11.16,3.17,;10.29,4.44,;8.76,4.33,;7.89,5.6,;8.09,2.94,;8.96,1.67,;8.29,.28,;9.25,-.92,;10.75,-.58,;8.91,-2.42,;10.25,-3.31,;10.14,-4.91,;8.69,-5.6,;7.38,-4.69,;7.52,-3.09,;6.13,-2.42,;4.97,-3.53,;3.44,-3.07,;3.08,-1.51,;4.26,-.43,;5.79,-.92,;6.75,.28,;6.08,1.67,)|
Clc1cccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)c1
COCCNC(=S)Nc1cc(OC)c(OC)cc1C#N
COc1cc(OC)c(cc1[CH+][N-]NC(=O)c1ccncc1)[N+]([O-])=O
COc1cc2nc(=S)n(CCc3ccccc3)c(N)c2cc1OC
COc1cc2nc(=S)n(CCCN3CCOCC3)c(N)c2cc1OC
CN(N=Cc1ccc(C)o1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
COc1cc2nc(=S)[nH]c(NCCc3ccc(cc3)S(N)(=O)=O)c2cc1OC
CC(=NNC(=O)c1cc(O)c(O)c(O)c1)c1ccc(cc1)[N+]([O-])=O |w:2.2|
CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
COc1ccccc1NC1=C(NC(C)=O)C(=O)c2ccccc2C1=O |c:10|
Cc1csc(n1)C(C#N)=C1C(=O)Nc2ccc(F)cc12 |w:9.20|
COCCN=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|
CCOC(=O)CSC1=NC(=O)\C(S1)=C\c1ccc(OC)cc1 |t:7|
[O-][N+](=O)c1ccccc1-c1ccc(\C=C\C(=O)c2ccccc2)o1
COc1cc(\N=C2/SSNC2Cl)c(OC)cc1Cl
Cc1nnc(Sc2cc(NCCO)c([N+]([O-])=O)c3nonc23)s1
CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
Cc1cc2nn(nc2cc1N)-c1cccc2ccccc12
CNC1CCC(Br)CC(C(=O)C=Cc2cccc(OC)c2OC)C1=O |w:11.10|
OC(=O)c1cccc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
OC(=O)c1csc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:16.17|
NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCCC(=NNc4nc5ccccc5s4)c3c2)cc1 |w:26.27|
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|
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
COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 |c:4,t:2|
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,)|
[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|
[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|
[O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1 |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|
[O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1S(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|
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|
CC(=O)c1ccc(cc1)S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C
Cc1c-2c(CSCc3cc(CSc4cc(OCCCc5c(C(O)=O)n(C)c6c-2c(Cl)ccc56)c2ccccc2c4)n(C)n3)nn1C
CCCCc1c(ncn1CCc1ccccc1OC)-c1ccccc1Oc1ccccc1
CCCCc1c(ncn1Cc1cccc(c1)-c1ccccc1)-c1ccccc1OC
CCCc1c(ncn1Cc1ccccc1OC)-c1ccccc1Oc1ccccc1
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 |r|
CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
[#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|
CCCc1ccc2OC(=N)C(C(C(C#N)C(=O)OCC)c2c1)C(=O)OCC
CCSCCCCC(c1ccc(O)cc1)C(C)(CC)c1ccc(O)cc1
CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(CC)cc12
CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(cc12)-c1ccccc1
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(C)cc12
CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
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|
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)Cl)c4)cc3)CC2)=C(c2ccc(Cl)cc2)C1
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,)|
CN(C)CC#Cc1ccc(c(c1)F)OCCCc2c(nc(s2)N3CCc4cccc(c4C3)C(=O)Nc5nc6ccccc6s5)C(=O)O
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|
CN(CC(=O)Nc1ccc(N2CCCCC2)c(c1)[N+]([O-])=O)C(=O)c1ccc(cc1)-c1ccccc1
CN(CC(=O)Nc1ccc(NC23CC4CC(CC(C4)C2)C3)c(c1)[N+]([O-])=O)C(=O)c1ccc(cc1)-c1ccccc1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
CN(CC(=O)Nc1ccc(N2CCSCC2)c(c1)[N+]([O-])=O)C(=O)c1ccc(cc1)-c1ccccc1
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|
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(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|
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|
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|
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|
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|
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|
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|
Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCC=C)C2=O)cc1
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,)|
CCC\C(=C1\SC(=S)N([C@@H](CC(C)C)C(O)=O)C1=O)c1ccccc1
OC(=O)CC[C@H](N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O
CSCC[C@H](N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
CCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O
CCC\C(=C1\SC(=S)N([C@@H](Cc2ccccc2)C(O)=O)C1=O)c1ccccc1
CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(Br)cc12
CC(C)C[C@H](N1C(=S)S\C(=C(\c2ccccc2)c2ccc(cc2)-c2ccccc2)C1=O)C(O)=O
CC(C)C[C@H](N1C(=S)S\C(=C(\C)c2ccccc2)C1=O)C(O)=O
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-1-[#6](=S)-[#16]\[#6](=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1=O)-[#6](-[#8])=O
CC(C)C[C@H](N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
[#6]=[#6]-[#6]-[#8]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-1-[#6](=S)-[#16]\[#6](=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1=O
C[C@H](N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
C[C@H](N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(=O)N1CCOCC1
C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5
C[C@H](N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(=O)OCC=C
CC(C)C(N1C(=S)S\C(=C\c2ccc(Br)cc2)C1=O)C(O)=O |w:3.20|
OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O
CCOC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O
CCOC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(=O)OCC)C4=O)cc3)cc2)C1=O
Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1
Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1
OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOCCOCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O
OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O
OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O
Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1
OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O
CC(N=Nc1nc2ccccc2s1)c1ccc(s1)-c1cccc(n1)C(O)=O |w:3.3|
Cc1c(cccc1-c1ccc(CN=Nc2nc3ccccc3s2)o1)C(O)=O |w:13.14|
OC(=O)c1ccnc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
CCN1CCC(=NNc2nc3ccccc3s2)c2cc(ccc12)-c1cccc(n1)C(O)=O |w:6.6|
CC(N=Nc1nc2ccccc2s1)c1cccc(c1)-c1cccc(n1)C(O)=O |w:3.3|
CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O |w:3.3|
OC(=O)c1cc(ccn1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
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
OC(=O)c1cccc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(sc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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,)|