349 SMILES Strings for Thymidine phosphorylase

Compound Name
SMILES String
Nc1[nH]c(=O)[nH]c(=O)c1Cl
Brc1c([nH]c(=O)[nH]c1=O)N1CCCCC1
Brc1c([nH]c(=O)[nH]c1=O)N1CCCC1
Brc1c([nH]c(=O)[nH]c1=O)N1CCC1
NNc1[nH]c(=O)[nH]c(=O)c1Br
Brc1c([nH]c(=O)[nH]c1=O)N1CCOCC1
Brc1c(NC2CC2)[nH]c(=O)[nH]c1=O
OCC1CCCCN1c1[nH]c(=O)[nH]c(=O)c1Br
OCC1CCCN(C1)c1[nH]c(=O)[nH]c(=O)c1Br
OCC1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Br
OCCC1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Br
Clc1c([nH]c(=O)[nH]c1=O)N1CCCCC1
Clc1c([nH]c(=O)[nH]c1=O)N1CCCC1
Clc1c([nH]c(=O)[nH]c1=O)N1CCC1
NNc1[nH]c(=O)[nH]c(=O)c1Cl
Clc1c([nH]c(=O)[nH]c1=O)N1CCOCC1
Clc1c(NC2CC2)[nH]c(=O)[nH]c1=O
OCC1CCCCN1c1[nH]c(=O)[nH]c(=O)c1Cl
OCC1CCCN(C1)c1[nH]c(=O)[nH]c(=O)c1Cl
OCC1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cl
OCCC1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cl
Brc1c([nH]c(=O)[nH]c1=O)N1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Br
Brc1c(NCCNc2[nH]c(=O)[nH]c(=O)c2Br)[nH]c(=O)[nH]c1=O
Clc1c([nH]c(=O)[nH]c1=O)N1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cl
CCc1c(Cl)[nH]c(=O)[nH]c1=O
CCCc1c(Cl)[nH]c(=O)[nH]c1=O
CCCCc1c(Cl)[nH]c(=O)[nH]c1=O
CCCCCc1c(Cl)[nH]c(=O)[nH]c1=O
CCCCCCc1c(Cl)[nH]c(=O)[nH]c1=O
CCCCCCCc1c(Cl)[nH]c(=O)[nH]c1=O
Clc1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Clc1[nH]c(=O)[nH]c(=O)c1C1=CCCC1 |t:10|
Clc1[nH]c(=O)[nH]c(=O)c1C1=CCCCC1 |t:10|
CC(=C)c1c(Cl)[nH]c(=O)[nH]c1=O
CCC(=CC)c1c(Cl)[nH]c(=O)[nH]c1=O |w:3.3|
Clc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1
Cc1cc(C)cc(c1)-c1c(Cl)[nH]c(=O)[nH]c1=O
Clc1[nH]c(=O)[nH]c(=O)c1-c1cccc2ccccc12 |(.16,2.02,;-1.17,2.79,;-2.51,2.02,;-3.84,2.79,;-5.18,2.02,;-3.84,4.33,;-2.51,5.1,;-2.51,6.64,;-1.17,4.33,;.16,5.1,;.16,6.64,;1.49,7.41,;2.83,6.64,;2.83,5.1,;4.16,4.33,;4.16,2.79,;2.83,2.02,;1.49,2.79,;1.49,4.33,)|
Fc1ccc(cc1)-c1c(Cl)[nH]c(=O)[nH]c1=O
Clc1[nH]c(=O)[nH]c(=O)c1-c1cccs1
Clc1[nH]c(=O)[nH]c(=O)c1-c1cccnc1
CC=Cc1c(Cl)[nH]c(=O)[nH]c1=O |w:1.0|
CCC=Cc1c(Cl)[nH]c(=O)[nH]c1=O |w:3.3|
CCCC=Cc1c(Cl)[nH]c(=O)[nH]c1=O |w:4.4|
Cc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1
Fc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1
Brc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1
O=c1[nH]c(N2CCCC2)c(-c2ccccc2)c(=O)[nH]1
NCCNc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1
[H]/N=C\1/CCCN1CC2=C(C(=O)NC(=O)N2)Cl
S=c1[nH]nc(o1)-c1ccccc1
Oc1ccccc1-c1n[nH]c(=S)o1
Nc1ccccc1-c1n[nH]c(=S)o1
Cc1cccc(c1)-c1n[nH]c(=S)o1
Oc1ccc(cc1)-c1n[nH]c(=S)o1
COc1ccc(cc1)-c1n[nH]c(=S)o1
COc1cc(cc(OC)c1OC)-c1n[nH]c(=S)o1
Clc1cccc(c1)-c1n[nH]c(=S)o1
Clc1ccc(cc1)-c1n[nH]c(=S)o1
Brc1ccc(cc1)-c1n[nH]c(=S)o1
O=c1[nH]c2[nH]ccc2c(=O)[nH]1
c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)O
c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)O
Oc1ccc(cc1O)-c1nc2ccccc2c(=O)[nH]1
Oc1ccc(O)c(c1)-c1nc2ccccc2c(=O)[nH]1
COc1ccc(cc1O)-c1nc2ccccc2c(=O)[nH]1
CCOc1cc(ccc1O)-c1nc2ccccc2c(=O)[nH]1
Fc1ccccc1\C=N\Nc1cnc2ccccc2n1
Fc1cccc(\C=N\Nc2cnc3ccccc3n2)c1
Fc1ccc(\C=N\Nc2cnc3ccccc3n2)cc1
Clc1ccccc1\C=N\Nc1cnc2ccccc2n1
Clc1cccc(\C=N\Nc2cnc3ccccc3n2)c1
Clc1ccc(\C=N\Nc2cnc3ccccc3n2)cc1
Oc1cccc(\C=N\Nc2cnc3ccccc3n2)c1
Oc1ccc(\C=N\Nc2cnc3ccccc3n2)cc1
Oc1cccc(\C=N\Nc2cnc3ccccc3n2)c1O
Oc1ccc(\C=N\Nc2cnc3ccccc3n2)c(O)c1
Oc1ccc(O)c(\C=N\Nc2cnc3ccccc3n2)c1
Oc1ccc(\C=N\Nc2cnc3ccccc3n2)cc1O
Oc1cc(O)c(\C=N\Nc2cnc3ccccc3n2)cc1O
Oc1cc(O)c(\C=N\Nc2cnc3ccccc3n2)c(O)c1
COc1ccc(\C=N\Nc2cnc3ccccc3n2)c(O)c1
COc1ccc(\C=N\Nc2cnc3ccccc3n2)cc1O
COc1ccc(O)c(\C=N\Nc2cnc3ccccc3n2)c1
N(\N=C\c1c[nH]c2ccccc12)c1cnc2ccccc2n1
Oc1ccccc1\C=N\Nc1cnc2ccccc2n1
Cc1ccc(cc1)C(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
COc1ccc(cc1)C(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
COc1ccccc1C(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@H](OC(=O)c3ccc(Cl)cc3Cl)[C@@H](COC(=O)c3ccc(Cl)cc3Cl)O2)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@H](OC(=O)c3ccc(Br)cc3)[C@@H](COC(=O)c3ccc(Br)cc3)O2)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@H](O)[C@@H](COC(=O)c3cccc(Br)c3)O2)c(=O)[nH]c1=O |r|
Oc1ccc(-c2nnc(o2)-c2ccc(cc2)C(c2c[nH]c3ccc(Cl)cc23)c2c[nH]c3ccc(Cl)cc23)c(O)c1
[O-][N+](=O)c1ccccc1-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
Oc1cccc(-c2nnc(o2)-c2ccc(cc2)C(c2c[nH]c3ccc(Cl)cc23)c2c[nH]c3ccc(Cl)cc23)c1O
COc1ccc(O)c(c1)-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
Fc1ccc(cc1)-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
Fc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
Oc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
Clc1ccc2[nH]cc(C(c3c[nH]c4ccc(Cl)cc34)c3ccc(cc3)-c3nnc(o3)-c3ccccn3)c2c1
Oc1ccc(O)c(c1)-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
Oc1ccc(cc1O)-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
Oc1ccc(cc1)-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
Oc1cccc(c1)-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
COc1ccc(cc1O)-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
COc1ccc(-c2nnc(o2)-c2ccc(cc2)C(c2c[nH]c3ccc(Cl)cc23)c2c[nH]c3ccc(Cl)cc23)c(O)c1
Fc1cccc(c1)-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
Clc1ccc2[nH]cc(C(c3c[nH]c4ccc(Cl)cc34)c3ccc(cc3)-c3nnc(o3)-c3ccccc3Cl)c2c1
Clc1ccc(cc1)-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
Clc1c(CN2CCNC2=N)[nH]c(=O)[nH]c1=O
Oc1ccc(cc1)-c1nnc(S)o1
Clc1cccc(c1)-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
COc1cccc(c1)C(=N\O)\n1c(C)cc(=O)[nH]c1=O
CO\N=C(/c1ccccc1)n1c(C)cc(=O)[nH]c1=O
Cc1cc(=O)[nH]c(=O)n1\C(=N/O)c1ccc(Br)cc1
Cc1ccc(cc1)C(=N/O)\n1cc(I)c(=O)[nH]c1=O
COc1cccc(c1)C(=N/O)\n1cc(I)c(=O)[nH]c1=O
Cc1cc(=O)[nH]c(=O)n1\C(=N/O)c1ccccc1F
Cc1cc(=O)[nH]c(=O)n1\C(=N/O)c1ccc(F)cc1
Cc1cc(=O)[nH]c(=O)n1\C(=N/O)c1ccc(Cl)cc1
CCc1ccc(cc1)C(=N\O)\n1c(C)cc(=O)[nH]c1=O
COc1ccc(cc1)C(=N\O)\n1c(C)cc(=O)[nH]c1=O
Cc1cc(=O)[nH]c(=O)n1\C(=N/O)c1ccc(Cl)c(Cl)c1
Cc1cc(=O)[nH]c(=O)n1\C(=N/O)c1cccs1
CCc1ccc(cc1)C(=N/O)\n1cc(I)c(=O)[nH]c1=O
O\N=C(/c1ccc(Cl)cc1)n1cc(I)c(=O)[nH]c1=O
O\N=C(/c1ccc(F)cc1)n1cc(I)c(=O)[nH]c1=O
COc1ccc(cc1)C(=N/O)\n1cc(I)c(=O)[nH]c1=O
O\N=C(/c1ccccc1)n1cc(I)c(=O)[nH]c1=O
Cc1cc(=O)[nH]c(=O)n1\C(=N/O)c1ccccc1
Cc1ccc(cc1)C(=N\O)\n1c(C)cc(=O)[nH]c1=O
Cc1cc(=O)[nH]c(=O)n1\C(=N/O)c1cccc(F)c1
O\N=C(/c1ccccc1F)n1cc(I)c(=O)[nH]c1=O
Cc1cc(=O)[nH]c(=O)n1C(=O)c1ccccc1
Cc1cccc(c1)C(=N\O)\n1c(C)cc(=O)[nH]c1=O
Cc1cc(ccc1Br)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
OC[C@H]1O[C@H](C[C@@H]1F)n1cc(F)c(=O)[nH]c1=O |r|
[H][C@]12CCO[C@]1(C)C[C@@H](O)[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C |r|
[H][C@]12CCO[C@]1(C)C[C@@H](O)[C@@]1([H])C(C)(C)CC[C@H](O)[C@]21C |r|
O=Cc1coc2ccccc2c1=O
Cc1coc2cc(O)ccc2c1=O
Clc1ccc(\N=C\c2coc3ccccc3c2=O)c(Cl)c1
Cc1cccc(c1)\N=C\c1coc2ccccc2c1=O
O=c1c(\C=N\CC\N=C\c2coc3ccccc3c2=O)coc2ccccc12
COc1cc(ccc1C)\N=C\c1coc2ccccc2c1=O
OCC(Cc1ccccc1)\N=C\c1coc2ccccc2c1=O
CCC(=O)N\N=C\c1coc2ccccc2c1=O
Cc1cccc(c1\N=C\c1coc2ccccc2c1=O)[N+]([O-])=O
Clc1ccc(\N=C\c2coc3ccccc3c2=O)c(c1)C(=O)c1ccccc1
Oc1cccnc1\N=C\c1coc2ccccc2c1=O
Cc1ccccc1CN1C(=O)NC(=O)C1=O
Clc1cccc(CN2C(=O)NC(=O)C2=O)c1
O=C1NC(=O)C(=O)N1CCc1ccccc1
CCOC(=O)CN1C(=O)N(Cc2cccc(Cl)c2)C(=O)C1=O
CCOC(=O)CN1C(=O)N(CCc2ccccc2)C(=O)C1=O
OC(=O)CN1C(=O)N(Cc2ccccc2)C(=O)C1=O
Cc1ccccc1CN1C(=O)N(CCC(N)=O)C(=O)C1=O
Cc1ccccc1CN1C(=O)N(CC(O)=O)C(=O)C1=O
NC(=O)CCN1C(=O)N(Cc2cccc(Cl)c2)C(=O)C1=O
O=C1NC(=O)C(=O)N1Cc1ccccc1
CCOC(=O)CN1C(=O)N(Cc2ccccc2)C(=O)C1=O
OC(=O)CN1C(=O)N(CCc2ccccc2)C(=O)C1=O
NC(=O)CCN1C(=O)N(CCc2ccccc2)C(=O)C1=O
CCOC(=O)CN1C(=O)N(Cc2ccccc2C)C(=O)C1=O
NC(=O)CCN1C(=O)N(Cc2ccccc2)C(=O)C1=O
Nc1c(Br)c(=O)[nH]c(=O)n1CCCCCCCCP(O)(O)=O
Oc1nc(O)c2ccn(CCCCCCCCP(O)(O)=O)c2n1
Cc1cn(Cc2cn(CCCCC(F)(F)P(O)(O)=O)nn2)c(=O)[nH]c1=O
Cc1ccc(cc1)-c1nn(CNc2ccccc2)c(=S)o1
Clc1ccc(cc1)-c1nn(CNc2ccc(Br)cc2)c(=S)o1
Cc1ccc(NCn2nc(oc2=S)-c2ccccc2)cc1C
Clc1ccccc1NCn1nc(oc1=S)-c1ccccc1Br
COc1cccc(NCn2nc(oc2=S)-c2ccc(C)cc2)c1
Cc1ccc(cc1)-c1nn(CNc2cccc(C)c2C)c(=S)o1
Cc1ccc(NCn2nc(oc2=S)-c2ccc(C)cc2)cc1
COc1ccccc1NCn1nc(oc1=S)-c1ccccc1
COc1cccc(NCn2nc(oc2=S)-c2ccccc2)c1
Brc1ccc(NCn2nc(oc2=S)-c2ccccc2Br)cc1
Cc1ccc(cc1)-c1nn(CNc2ccc(C)c(C)c2)c(=S)o1
COc1cc(cc(OC)c1OC)-c1nn(CNCCc2ccccc2)c(=S)o1
Clc1ccccc1NCn1nc(oc1=S)-c1ccccc1
Cc1ccc(cc1)-c1nn(CNc2ccc(Cl)c(Cl)c2)c(=S)o1
COc1cc(cc(OC)c1OC)-c1nn(CNc2ccccc2C)c(=S)o1
COc1ccccc1NCn1nc(oc1=S)-c1ccc(Cl)cc1
Clc1ccc(cc1)-c1nn(CNc2ccccc2Cl)c(=S)o1
Cc1ccccc1NCn1nc(oc1=S)-c1ccc(Cl)cc1
COc1ccccc1NCn1nc(oc1=S)-c1ccccc1Br
COc1ccc(cc1NCn1nc(oc1=S)-c1ccc(C)cc1)[N+]([O-])=O
Oc1ccccc1-c1nn(CNc2ccccc2Cl)c(=S)o1
OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1Cl
CCCN(CCC)Cc1[nH]c(=O)[nH]c(=O)c1I
OCCNCc1[nH]c(=O)[nH]c(=O)c1Cl
OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1I
OCC(O)CNCc1[nH]c(=O)[nH]c(=O)c1Br
OCCNCc1[nH]c(=O)[nH]c(=O)c1I
CN(CC(O)CO)Cc1[nH]c(=O)[nH]c(=O)c1I
CN(C)Cc1[nH]c(=O)[nH]c(=O)c1I
Ic1c(CN2CCCCC2)[nH]c(=O)[nH]c1=O
C1(=C(NC(=O)NC1=O)N)Br
Ic1c(CNC2CCCCC2)[nH]c(=O)[nH]c1=O
Oc1nc(O)c(Cl)c(CN2CCCC2=N)n1
OCCNCc1[nH]c(=O)[nH]c(=O)c1Br
Ic1c(CN2CCOCC2)[nH]c(=O)[nH]c1=O
OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1Br
OCC(O)CNCc1[nH]c(=O)[nH]c(=O)c1I
O=c1cc(NCCc2ccccc2)[nH]c(=O)[nH]1
O=c1cc(NCCCc2ccccc2)[nH]c(=O)[nH]1
O=c1cc(NCc2ccccc2)[nH]c(=O)[nH]1
O=c1cc(NCCCCc2ccccc2)[nH]c(=O)[nH]1
Clc1ccc(cc1Cl)-c1ccccc1\C=C\C(=O)NS(=O)(=O)c1cccs1
[O-][N+](=O)c1nccn1Cc1cc(=[OH+])[n-]c(=[OH+])[n-]1
Nc1[nH+]ccn1Cc1[nH]c(=O)[nH]c(=O)c1Br
[O-][N+](=O)c1nccn1Cc1[n-]c(=[OH+])[nH]c(=O)c1Br
[O-][N+](=O)c1nccn1Cc1[n-]c(=[OH+])[nH]c(=O)c1Cl
Nc1[nH+]ccn1Cc1cc(=O)[nH]c(=O)[nH]1
Nc1[nH+]ccn1Cc1[nH]c(=O)[nH]c(=O)c1Cl
COc1ccc(cc1)C(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc[nH]c2=O)(c1ccccc1)c1ccc(OC)cc1
CNC(=O)c1ncn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O)c1N
CCCn1cnc2n(cnc2c1=O)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O
COCCOCn1cnc2n(cnc2c1=O)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O
O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O
O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O
O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c1ncn(Cc1ccccc1)c2=O
CCCNC(=O)c1ncn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O)c1N
O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c1ncn(CC=C)c2=O
Cn1cnc2n(cnc2c1=O)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O
O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c(Cl)ncnc12
O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c1ncn(CC1CC1)c2=O
COC(=O)\C=C\Cn1cnc2n(cnc2c1=O)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O
O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c1ncn(CC1CCCCC1)c2=O
O[C@@H]1[C@@H](COCc2ccccc2)O[C@H]([C@@H]1O)n1cnc2c1ncn(Cc1ccccc1)c2=O
OC[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[C@H](CO)n1cnc2c1nc[nH]c2=O
Nc1c(ncn1[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O)C(=O)NCC1CC1
Nc1c(ncn1[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O)C(=O)NCC=C
COCCOCn1cnc2n(cnc2c1=O)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O
O[C@H]1C[C@@H](O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1cnc2c1nc[nH]c2=O
O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2cncnc12
COCCOCNC(=O)c1ncn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O)c1N
OC(=O)CSc1nnc([nH]1)-c1cccc(Cl)c1
OC(=O)CSc1nnc([nH]1)-c1ccc(Cl)cc1
Cc1ccc(cc1)-c1nnc(SCC(O)=O)[nH]1
OC(=O)CSc1nnc([nH]1)-c1ccc(cc1)[N+]([O-])=O
CC(Sc1nnc([nH]1)-c1cccc(Cl)c1)C(O)=O
CC(Sc1nnc([nH]1)-c1ccc(Cl)cc1)C(O)=O
Cc1cn([C@@H]2O[C@H](CO)[C@H]3O[C@@H](CP(O)(O)=O)O[C@@H]23)c(=O)[nH]c1=O |r|
Cc1cn([C@@H]2O[C@H](CO)[C@H]3O[C@@H](CC(O)=O)O[C@@H]23)c(=O)[nH]c1=O |r|
Cc1cn([C@@H]2O[C@H](CO)[C@H]3C[C@H](CP(O)(O)=O)O[C@@H]23)c(=O)[nH]c1=O |r|
Cc1cn([C@@H]2O[C@H](CO)[C@H]3C[C@@H](CP(O)(O)=O)O[C@@H]23)c(=O)[nH]c1=O |r|
Cc1cn([C@@H]2O[C@H](CO)[C@H]3O[C@H](CP(O)(O)=O)C[C@@H]23)c(=O)[nH]c1=O |r|
Cc1cn([C@@H]2O[C@H](CO)[C@H]3O[C@@H](CP(O)(O)=O)C[C@@H]23)c(=O)[nH]c1=O |r|
Nc1nccn1Cc1[nH]c(=O)[nH]c(=O)c1F
OP(O)(=O)CCCCCCCCn1c2[nH]ccc2c(=O)[nH]c1=O
OP(O)(=O)CCCCCCCCn1c2c[nH]cc2c(=O)[nH]c1=O
O=c1[nH]c2cn(CCCCCCCCn3cc4[nH]c(=O)[nH]c(=O)c4c3)cc2c(=O)[nH]1
NC1=[N+](Cc2[nH]c(=O)[nH]c(=O)c2Cl)CCC1 |c:1|
NC(N)=[NH+]c1csc2c1[nH]c(=O)[nH]c2=O |(1.23,-2.42,;2.27,-3.56,;1.8,-5.03,;3.78,-3.23,;4.22,-1.76,;3.32,-.52,;4.22,.74,;5.69,.27,;5.7,-1.26,;7.02,-2.04,;8.36,-1.27,;9.7,-2.04,;8.36,.27,;7.01,1.05,;7.01,2.59,)|
NC(NCc1ccccc1)=[NH+]c1csc2c1[nH]c(=O)[nH]c2=O |w:10.11|
Nc1csc2c1[nH]c(=O)[nH]c2=O
Nc1cc2[nH]c(=O)[nH]c(=O)c2s1
NC(N)=[NH+]c1cc2[nH]c(=O)[nH]c(=O)c2s1 |(3.87,-4.29,;3.09,-2.95,;1.54,-2.95,;3.84,-1.61,;5.39,-1.59,;6.3,-2.83,;7.76,-2.34,;9.08,-3.12,;10.43,-2.35,;11.76,-3.12,;10.43,-.8,;9.08,-.03,;9.07,1.51,;7.75,-.8,;6.29,-.34,)|
CCCCCC1(NC(=O)N(C)C1=O)C=NNC(N)=O |w:14.15|
[#6]=[#6]-[#6]-[#7]-[#6](=S)-[#7]\[#6]=[#6]-1\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-1=O
CC1=CNC(=O)NC1=O
Nc1c[n+](Cc2[nH]c(=O)[nH]c(=O)c2Br)c[nH]1
[O-][N+](=O)c1cn(Cc2cc(=[OH+])[n-]c(=[OH+])[n-]2)cn1
[O-][N+](=O)c1cn(Cc2[n-]c(=[OH+])[nH]c(=O)c2Cl)cn1
Nc1c[n+](Cc2[nH]c(=O)[nH]c(=O)c2Cl)c[nH]1
[O-][N+](=O)c1cn(Cc2[n-]c(=[OH+])[nH]c(=O)c2Br)cn1
Nc1c[n+](Cc2cc(=O)[nH]c(=O)[nH]2)c[nH]1
Cc1cn(CC(OCP(O)(O)=O)Oc2ccccc2)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@H](CO)N(C2)C(=O)P(O)(O)=O)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@H](CO)N(CP(O)(O)=O)C2)c(=O)[nH]c1=O |r|
Cc1cn(C2CCN(C2)C(=O)P(O)(O)=O)c(=O)[nH]c1=O
Cc1cn(C2CCN(C2)C(=S)P(O)(O)=O)c(=O)[nH]c1=O
Cc1cn([C@@H]2CN(C[C@H]2O)C(=O)P(O)(O)=O)c(=O)[nH]c1=O |r|
Cc1cn([C@@H]2CN(CP(O)(O)=O)C[C@@H]2O)c(=O)[nH]c1=O |r|
Cc1cn([C@@H]2CN(C[C@@H]2O)C(=O)P(O)(O)=O)c(=O)[nH]c1=O |r|
Cc1cn([C@@H]2CN(C[C@@H]2O)C(=S)P(O)(O)=O)c(=O)[nH]c1=O |r|
Cc1cn(CC(CF)OCP(O)(O)=O)c(=O)[nH]c1=O
Cc1cn(CC(CO)OCP(O)(O)=O)c(=O)[nH]c1=O
CC(Cn1cc(C)c(=O)[nH]c1=O)OCP(O)(O)=O
Cc1cn(CCOCP(O)(O)=O)c(=O)[nH]c1=O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c(=O)n(CCCCCCCCP(O)(O)=O)c1=O |r|
Cc1cn(CC(OCC=C)OCP(O)(O)=O)c(=O)[nH]c1=O
Clc1ccc(Cc2nc3[nH]c(=S)[nH]c(=O)n3n2)cc1Cl
Clc1ccc(cc1Cl)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
O=c1[nH]c(=S)[nH]c2nc(nn12)C(c1ccccc1)c1ccccc1
O=c1[nH]c(=S)[nH]c2nc(Cc3ccc(cc3)C#N)nn12
Oc1ccc(Cc2nc3[nH]c(=S)[nH]c(=O)n3n2)cc1
COc1ccc(Cc2nc3[nH]c(=S)[nH]c(=O)n3n2)cc1
Cc1ccc(Cc2nc3[nH]c(=S)[nH]c(=O)n3n2)cc1
Fc1ccc(Cc2nc3[nH]c(=S)[nH]c(=O)n3n2)cc1
Brc1ccc(Cc2nc3[nH]c(=S)[nH]c(=O)n3n2)cc1
Clc1ccc(Cc2nc3[nH]c(=S)[nH]c(=O)n3n2)cc1
FC(F)(F)c1ccc(Cc2nc3[nH]c(=S)[nH]c(=O)n3n2)cc1
Fc1ccc(cc1F)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
O=c1[nH]c(=S)[nH]c2nc(nn12)-c1ccc(cc1)C#N
COc1ccc(cc1)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
Cc1ccc(cc1)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
Fc1ccc(cc1)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
Brc1ccc(cc1)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
Clc1ccc(cc1)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
FC(F)(F)c1ccc(cc1)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
[O-][N+](=O)c1ccc(cc1)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
O=c1[nH]c(=S)[nH]c2nc(nn12)-c1cccc(c1)C#N
COc1cccc(c1)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
Cc1cccc(c1)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
Fc1cccc(c1)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
Brc1cccc(c1)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
FC(F)(F)c1cccc(c1)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
Clc1cccc(c1)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
[O-][N+](=O)c1cccc(c1)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
O=c1[nH]c(=S)[nH]c2nc(Cc3ccccc3)nn12
O=c1[nH]c(=S)[nH]c2nc(nn12)-c1ccccc1
O=c1[nH]c2nc(Cc3ccccc3)nn2c(=O)[nH]1
O=c1[nH]c2nc(nn2c(=O)[nH]1)-c1ccccc1
CN(C)Cc1c(O)[nH]c(=O)c(C#N)c1C
Cc1c(CNCC(O)CO)c(O)[nH]c(=O)c1C#N
Cc1c(CNC(CO)CO)c(O)[nH]c(=O)c1C#N
Cc1c(CNCCO)c(O)[nH]c(=O)c1C#N
Cc1cc(O)[nH]c(=O)c1C#N
Oc1ccc(C#N)c(=O)[nH]1
NC(=N)SCc1[nH]c(=O)[nH]c(=O)c1Cl
Cc1c(N)[nH]c(=O)[nH]c1=O
NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccc(cc1)C#N
NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccc(cc1)-c1ccccc1
NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccc(Oc2ccccc2)cc1
NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1cccc2ccccc12
NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccco1
NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1cccs1
Clc1ccc(cc1Cl)-c1cc2[nH]c(=S)[nH]c(=O)n2n1
NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccc(cc1)C(F)(F)F
CCc1ccc(Cc2c(NC(N)=S)nn3c2[nH]c(=S)[nH]c3=O)cc1
COc1ccc(Cc2c(NC(N)=S)nn3c2[nH]c(=S)[nH]c3=O)cc1
O=c1[nH]c(=S)[nH]c2cc(nn12)-c1ccccc1
CC(C)(C)c1cc2[nH]c(=S)[nH]c(=O)n2n1
O=c1[nH]c(=S)[nH]c2cc(nn12)-c1ccc(cc1)C#N
NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccccc1
NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccc(Cl)cc1
NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccc(Br)cc1
NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccc(F)cc1
Cc1ccc(Cc2c(NC(N)=S)nn3c2[nH]c(=S)[nH]c3=O)cc1
NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccc(O)cc1
O=C1NC(=O)C2=CC=NC2=N1 |c:7,10,t:5|
O=c1[nH]c(SCc2ccccc2)nc2nc(nn12)-c1ccccc1
OC[C@H]1O[C@@H](Oc2ccc(O)cc2COC(=O)c2ccccc2)[C@H](O)[C@H](OC(=O)c2ccc(O)cc2)[C@@H]1O |r|
O[C@@H]1[C@H](O)[C@@H](COC(=O)c2ccccc2)O[C@@H](Oc2ccc(O)cc2COc2cccc(C(O)=O)c2O)[C@@H]1O |r|
Cc1ccccc1Cc1cc2ccccc2c(=O)o1
Sc1nnc(o1)-c1ccccc1