239 SMILES Strings for Thymidine kinase, cytosolic

Compound Name
SMILES String
Cc1n[nH]c2C(CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3CC3C2)c1
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3CC3C2)c1 |r|
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)c1 |r|
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cc(Cc2ccc(nc2C)N2CC3CC3C2)cs1 |r|
Cc1nc(ccc1Cc1cc(C(O)=O)n(COCC[Si](C)(C)C)c1)N1CC2CC2C1
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cc(Cc2ccc(nc2C)N2CC3CC3C2)c(s1)C#N |r|
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1nnn(Cc2ccc(nc2C)N2CC3CC3C2)n1 |r|
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3(CC3)C2)c1 |r|
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)nc1Cl |r|
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)c2ncncc12 |r|
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)nc1C(F)F |r|
COCc1nn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12 |r|
COCc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12 |r|
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)c2ncncc12 |r|
Cc1nn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12 |r|
Cc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12 |r|
COc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12 |r|
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3C(C2)C3(F)F)c2ncncc12 |r|
COCc1nn(Cc2ccc(nc2C)N2CC3(CC3)C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12 |r|
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3CC3C2)c2ncncc12 |r|
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3CC3C2)nc1C |r|
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3(CC3)C2)c2ncncc12 |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC(C)(C)C2)c1 |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC3(CCC3)C2)c1 |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC(F)(F)C2)c1 |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC3(CC3)C2)c1 |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC(C2)C(F)F)c1 |r|
C[C@@H]1[C@@H]2CN(C[C@H]12)c1ccc(Cn2cc(cn2)C(=O)N[C@@H]2CCc3c(C)[nH]nc23)c(C)n1 |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC3CC3C2)c1 |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCCC2)c1 |r|
Cc1c2CC[C@@H](NC(=O)c3cnn(Cc4ccc(F)nc4C)c3)c2nn1COCC[Si](C)(C)C |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC(C)(C2)C#N)c1 |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC(C)(F)C2)c1 |r|
C[C@H]1[C@@H]2CN(C[C@H]12)c1ccc(Cn2cc(cn2)C(=O)N[C@@H]2CCc3c(C)[nH]nc23)c(C)n1 |r|
CC1C2CC2CN1c1ccc(Cn2cc(cn2)C(=O)N[C@@H]2CCc3c(C)[nH]nc23)c(C)n1 |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2cnc(nc2C)N2CC3C(C2)C3(F)F)c1 |r|
Cc1c2CC[C@@H](NC(=O)c3cn(Cc4ccc(nc4C)N4CC5CC5C4)nn3)c2nn1COCC[Si](C)(C)C |r|
Cc1c2CC[C@@H](NC(=O)c3cn(Cc4cnc(nc4C)N4CC5CC5C4)nn3)c2nn1COCC[Si](C)(C)C |r|
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3(CC3)C2)cn1 |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)cn1 |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)cn1 |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3C(C2)C3(F)F)cn1 |r|
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3(CC3)C2)cn1 |r|
Cc1c2CC[C@@H](NC(=O)c3cnn(Cc4ccc(nc4C)N4C[C@H]5[C@@H](CO)[C@H]5C4)c3)c2nn1COCC[Si](C)(C)C |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)c(n1)C1CC1 |r|
Cc1nc(cn1Cc1ccc(nc1C)N1CC2CC2C1)C(=O)NC1CCc2c(C)[nH]nc12
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)c(n1)C(F)(F)F |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2c(C)cc(nc2C)N2C[C@H]3[C@@H](CO)[C@H]3C2)cn1 |r|
C[C@@H]1[C@@H]2CN(C[C@H]12)c1ccc(Cn2cnc(c2)C(=O)N[C@@H]2CCc3c(C)[nH]nc23)c(C)n1 |r|
C[C@@H]1[C@@H]2CN(C[C@H]12)c1ncc(Cn2cnc(c2)C(=O)N[C@@H]2CCc3c(C)[nH]nc23)c(C)n1 |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)c(Cl)n1 |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2)N2CC3CC3C2)cn1 |r|
Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2)N2CC3(CC3)C2)cn1 |r|
Cc1[nH]nc2C(CCc12)NC(=O)c1cn(Cc2ccc(nc2C#N)N2CC3CC3C2)cn1
COC(=O)c1ccc2n(Cc3ccc(nc3C)N3CC4CC4C3)cc(C(=O)N[C@@H]3CCc4c(C)n(COCC[Si](C)(C)C)nc34)c2c1 |r|
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1ccc(Cc2ccc(nc2C)N2CC3CC3C2)[nH]1 |r|
Nc1nc2n(CC=C(CO)CO)cnc2c(=O)[nH]1 |(-1.17,-10.79,;.17,-10.04,;1.48,-10.8,;2.83,-10.04,;4.29,-10.48,;4.78,-11.96,;6.51,-11.96,;7.73,-13.11,;9.14,-12.79,;9.3,-11.38,;7.83,-14.78,;6.74,-15.85,;5.2,-9.23,;4.27,-8.01,;2.82,-8.5,;1.48,-7.73,;1.48,-6.19,;.17,-8.5,)|
CSc1cnc(=O)n(c1)C1CC(O)C(O)O1
Nc1nc2n(CCCCO)cnc2c(=O)[nH]1
c1ccc(cc1)NC2=Nc3c(ncn3CCCCO)C(=O)N2
Cc1cn(C\C=C/CNC(=O)Cc2ccc(Cl)cc2)c(=O)[nH]c1=O
Cc1cn(C\C=C/CNCc2ccccc2)c(=O)[nH]c1=O
Cc1cn(C\C=C/CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Cc1cn(C\C=C/CNC(=O)C(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Cc1cn(C\C=C/CNC(=O)C2c3ccccc3Oc3ccccc23)c(=O)[nH]c1=O
Cc1cn(C\C=C/CNC(=O)Cc2ccc(cc2)-c2ccccc2)c(=O)[nH]c1=O
Cc1cn(C\C=C/CN(Cc2ccccc2)Cc2ccccc2)c(=O)[nH]c1=O
CN1CCN(C\C=C/Cn2cc(C)c(=O)[nH]c2=O)CC1
Cc1cn(C\C=C/CNC(=O)c2cccc(c2)C(F)(F)F)c(=O)[nH]c1=O
Cc1cn(C\C=C/CN2CCN(Cc3ccccc3)CC2)c(=O)[nH]c1=O
OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1cccc(OCCF)c1
OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccc(F)cc1
COc1cccc(c1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
OC[C@H]1OC(C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccccc1F
OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1cccc(O)c1
COc1ccc(cc1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccc(O)cc1
OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccc(OCCF)cc1
OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1cccc(OCCCCCCF)c1
OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccc(OCCCCCCF)cc1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
CSS[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@H](SSCCN)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@H](SSCCO)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@H](SSC(Cl)(Cl)Cl)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
CO[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@H](O)[C@H](O2)C#C)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@H](O)[C@@H](OCCCc3ccccc3)O2)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@H](O)[C@@H](OCCc3ccccc3)O2)c(=O)[nH]c1=O
CCO[C@@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O
CCO[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@@H](O)[C@H](OCc3ccccc3)O2)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@H](O)[C@@H](OCc3ccccc3)O2)c(=O)[nH]c1=O
CO[C@@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O
CCCO[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
CCCO[C@@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@@H](O)[C@H](OC(C)(C)C)O2)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@H](O)[C@@H](OC(C)(C)C)O2)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@@H](O)[C@H](OCCCc3ccccc3)O2)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@@H](O)[C@H](OCCc3ccccc3)O2)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@H](NC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
CCCCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccccc2)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(Cc3ccccc3)nn2)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CC3CCCC3)nn2)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccc(Cl)cc2)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccccn2)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2nncc2-c2ccc(Cl)cc2)c(=O)[nH]c1=O |r|
OC[C@H]1O[C@H](C[C@@H]1n1cc(nn1)-c1ccccc1)n1cc(C=CBr)c(=O)[nH]c1=O |r,w:22.25|
OC[C@H]1O[C@H](C[C@@H]1n1cc(nn1)-c1ccc(Cl)cc1)n1cc(C=CBr)c(=O)[nH]c1=O |r,w:23.26|
Cc1cn([C@H]2C[C@H](NC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccc(F)cc2)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CCc3ccccc3)nn2)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CCCCl)nn2)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)C(C)(C)C)c(=O)[nH]c1=O |r|
CCCCCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r|
CCCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r|
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
CCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O |r|
CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
CCCCCCCCO[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
COCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O
OC[C@H]1OC([C@@H](O)[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O |r,w:13.14|
CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O
CCCCCCCCO[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O |r|
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O |r|
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 |r|
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OCc2ccccc2)c(=O)[nH]c1=O |r|
Nc1nc(=O)n(cc1I)[C@H]1C[C@H](O)[C@@H](CO)O1
Cc1cn(C2CC(O)C(CSCCCC(O)=O)O2)c(=O)[nH]c1=O
CCO[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N |r|
C\C=C\c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
CCOC1N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC(=O)C1(C)Br |r|
CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)CO)O
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)C
Cc1cn([C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(Cc2ccccc2)c1=O |r|
CSc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O |r,c:9|
Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
CCCCCCNCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O
Cc1cn(C2CC(O)C(CSCCO)O2)c(=O)[nH]c1=O
CCCCCn1c(=O)c(C)cn([C@H]2C[C@H](O)[C@@H](CO)O2)c1=O |r|
Cc1cn([C@H]2C[C@H](OCc3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
CCSC1CC(OC1CO)n1cc(C)c(=O)[nH]c1=O
CCNCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O
Nc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Cc2cn(C3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O |r|
OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)n1cc(I)c(=O)[nH]c1=O |r|
c1nc2c(n1COCCO)N=C(NC2=O)N
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O |r|
CCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2CC[C@@H](COC(=O)c3ccccc3)O2)c(=O)[nH]c1=O
O=C(OC[C@@H]1CC[C@@H](O1)n1ccc(=O)[nH]c1=O)c1ccccc1
Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=S
OC[C@H]1O[C@H](C=C1)n1ccc(=O)[nH]c1=O |c:5|
Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=S |c:9|
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=S
OC[C@H]1O[C@H](C=C1)n1ccc(=S)[nH]c1=O |c:5|
OC[C@@H]1CC[C@@H](O1)n1ccc(=S)[nH]c1=O
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=S
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
Cc1cn(CC(O)C(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Cc1cn(C2CC(O)C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O
Cc1cn(C\C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Cc1cn(C\C=C/OC(=O)CC(C)(C)C)c(=O)[nH]c1=O
CC1CN(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(O)=NC1=O |c:32|
CCCCCCCCCCCC\C=C/Cn1cc(C)c(=O)[nH]c1=O
Cc1cn(CCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
COc1ccc(cc1)C(OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Cc1cn(CC#CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
CCCCCCC(=O)O\C=C/Cn1cc(C)c(=O)[nH]c1=O
Cc1cn(C\C=C/COC(=O)C(C)(C)C)c(=O)[nH]c1=O
Cc1cn(CCC(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Cc1cn(Cc2ccccc2COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Ic1cn(\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Cc1cn(C\C=C/COCc2ccccc2)c(=O)[nH]c1=O
Cc1cn(C\C=C/COC(=O)c2ccccc2)c(=O)[nH]c1=O
Cc1cn(C\C=C/COC(=O)C(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
CCc1cn(\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=C(NC2=O)N
Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](CN)[C@H]2O)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@H](CO)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@H](CN)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@H](CF)[C@@H](CO)O2)c(=O)[nH]c1=O
Cc1cn([C@@H]2O[C@H](CO)[C@@H](CN)[C@H]2O)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@H](CF)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@H](CO)[C@@H](CO)O2)c(=O)[nH]c1=O
Cc1cn([C@H]2C[C@H](CN)[C@@H](CO)O2)c(=O)[nH]c1=O
OC[C@@H]1C[C@@H](C[C@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O |w:12.13|
OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cc(Br)c(=O)[nH]c1=O |r|
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O |r,w:12.13|
OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cc(I)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@H](O)[C@]3(CO)C[C@H]23)c(=O)[nH]c1=O |r|
OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cc(C=CBr)c(=O)[nH]c1=O |r,w:13.15|
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O |r|
OC[C@H]1C[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O |r|
CCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
NCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O |w:19.20|
CCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(N)[nH]c2=O
COCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O |w:18.19|
CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(N)[nH]c2=O
CCCCCCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1=O
CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O |w:24.25|
CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O |w:22.23|
NCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O |w:21.22|
OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O |w:13.14|
CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2OCc2ccccc2)c(=O)[nH]c1=O
CCCCCCCC(=O)Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCC
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C#N)c(=O)[nH]c1=O
NCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
[H][C@@]1(O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O)C(O)CNC(C)=O |r|
[H][C@@]1(O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O)C(O)CNC(=O)CC |r|
CC(=O)NC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
CCNC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
CCCCNC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
CCCCCCNC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
CCCCCCN(C[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O)C(C)=O |r|
CC(=O)NCCNC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
CN(CCN(C)C(C)=O)C[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@H](O)[C@@H](CSCCO)O2)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@H](O)[C@@H](CSCCC(O)=O)O2)c(=O)[nH]c1=O |r|
Cc1cn([C@H]2C[C@H](O)[C@@H](CSCCCC(O)=O)O2)c(=O)[nH]c1=O |r|
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)C
CCS[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r|
CCCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O