2136 SMILES Strings for Xanthine dehydrogenase/oxidase

Compound Name
SMILES String
Oc1ccc(NC(=O)c2c(O)[nH]c(=S)[nH]c2=O)c(F)c1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1cc(F)c(O)c(F)c1
Oc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)c(F)c1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccncc1
O=c1ncnc2[nH][nH]cc12
OC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12 |(-2.97,1.02,;-1.83,-.01,;-2.15,-1.52,;-.36,.46,;-.04,1.97,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;5.38,1.97,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;3.44,-5.95,;1.9,-5.95,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,)|
NS(=O)(=O)c1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
CS(=O)(=O)Nc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(NS(=O)(=O)C(F)(F)F)cc1
OCc1cc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)ccc1O
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1nnn[nH]1
Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1nnn[nH]1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-n1cnnn1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc2n[nH]nc2c1
Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1cnn[nH]1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1cnn[nH]1
Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1
Oc1ncnc2[nH]ncc12
CCOc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
CC(C)COc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
CC(C)Oc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
CC(C)CCOc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Cc1nc([se]c1C(O)=O)-c1ccc(OCC2CCCCC2)c(c1)C#N
Cc1nc([se]c1C(O)=O)-c1ccc(OCc2ccccc2)c(c1)C#N
Cc1nc([se]c1C(O)=O)-c1ccc(OCC2CC2)c(c1)C#N
Cc1nc([se]c1C(O)=O)-c1ccc(-c2ccccc2)c(c1)C#N
COc1ccc(cc1OC)-c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
COc1ccc(cc1F)-c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
COc1cc(cc(OC)c1OC)-c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
COc1ccc(cc1)-c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
COc1cccc(c1)-c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Cc1nc([se]c1C(O)=O)-c1ccc(-c2cccc(OC(F)(F)F)c2)c(c1)C#N
Cc1nc([se]c1C(O)=O)-c1ccc(-c2ccc(Cl)cc2)c(c1)C#N
Cc1nc([se]c1C(O)=O)-c1ccc(-c2ccc(F)c(F)c2)c(c1)C#N
COc1ccccc1-c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
COc1ccc(c(OC)c1)-c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Cc1nc([se]c1C(O)=O)-c1ccc(c(c1)C#N)-c1cccc2ccccc12
Cc1nc([se]c1C(O)=O)-c1ccc(-c2ccncc2)c(c1)C#N
Cc1nc([se]c1C(O)=O)-c1ccc(-c2cccnc2)c(c1)C#N
CCc1ccc(cc1)-c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
CC(C)Sc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
CC(C)CSc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Cc1nc([se]c1C(O)=O)-c1ccc(Sc2ccc(Cl)cc2)c(c1)C#N
Cc1nc([se]c1C(O)=O)-c1ccc(Sc2cccc(c2)C(F)(F)F)c(c1)C#N
Cc1nc([se]c1C(O)=O)-c1ccc(Sc2ccccn2)c(c1)C#N
Cc1nc([se]c1C(O)=O)-c1ccc(SCc2ccccc2)c(c1)C#N
CC(C)S(=O)(=O)c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Cc1nc([se]c1C(O)=O)-c1ccc(N2CCOCC2)c(c1)C#N
CN1CCN(CC1)c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Cc1nc([se]c1C(O)=O)-c1ccc(-c2cc3CNCCc3s2)c(c1)C#N
CN(C)c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
CC(C)COc1ccc(cc1Cl)-c1nc(C)c([se]1)C(O)=O
CC(C)COc1ccc(cc1C(F)(F)F)-c1nc(C)c([se]1)C(O)=O
CC(C)SCc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Cc1nc([se]c1C(O)=O)-c1ccc(C(=O)Nc2ccccc2)c(Br)c1
Cc1nc([se]c1C(O)=O)-c1ccc(-c2ccc(cc2)C(F)(F)F)c(c1)C#N
Cc1nc([se]c1C(O)=O)-c1ccc(-c2cccc(c2)C(F)(F)F)c(c1)C#N
CC(C)COc1ccc(cc1C#N)-c1nc(CO)c([se]1)C(O)=O
Cc1nc([se]c1C(O)=O)-c1ccc(SC(C)(C)C)c(c1)C#N
Cc1nc([se]c1C(O)=O)-c1ccc(SC2CCCCC2)c(c1)C#N
Cc1nc([se]c1C(O)=O)-c1cccc(c1)C(F)(F)F
CC(C)Oc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O
OC(=O)c1ccc(cc1O)-c1cc(cc2ccoc12)C#N
OC(=O)c1ccc(cc1O)-c1cc(cc2ccccc12)C#N
OC(=O)c1ccc(cc1O)-c1cc(cc2OCOc12)C#N
OC(=O)c1ccc(cc1O)-c1cc(cc2CCOc12)C#N
OC(=O)c1ccc(cc1O)-c1cc(cn2ccnc12)C#N
Cn1c(cc2c(cc(cc12)C#N)-c1ccc(C(O)=O)c(O)c1)C(F)(F)F
OC(=O)c1ccc(cc1O)-c1cc(cc2cc[nH]c12)C#N
OC(=O)c1ccc(cc1O)-c1cc(cc2ocnc12)C#N
Cc1cc2c(cc(cc2o1)C#N)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1O)-c1cc(cc2occc12)C#N
OC(=O)c1ccc(cc1O)-c1cc(cc2oc(cc12)C(F)(F)F)C#N
OC(=O)c1ccc(cc1O)-c1cc(cc2oc(Cl)cc12)C#N
OC(=O)c1ccc(cc1O)-c1cc(cc2oc(F)cc12)C#N
OC(=O)c1ccc(cc1O)-c1cc(cc2cc(F)oc12)C#N
OC(=O)c1ccc(cc1O)-c1cc(cc2sc(F)cc12)C#N
OC(=O)c1ccc(cc1O)-c1cc(cc2sccc12)C#N
OC(=O)c1ccc(cc1O)-c1cc(cc2sc(Cl)cc12)C#N
OC(=O)c1ccc(cc1O)-c1cc(cc2cc(Cl)oc12)C#N
O=c1cc(\C=C\c2ccccc2)oc2ccccc12
Oc1cc(C=Cc2ccccc2)oc2cccc(=O)c12 |w:4.3|
Oc1ccc2c(c1)oc(\C=C\c1ccccc1)cc2=O
Oc1cc(O)c2c(c1)oc(C=Cc1ccccc1)cc2=O |w:10.10|
Oc1ccc(C=Cc2cc(O)c3c(cccc3=O)o2)cc1 |w:6.6|
Oc1ccc(\C=C\c2cc(=O)c3ccc(O)cc3o2)cc1
Oc1ccc(C=Cc2cc(=O)c3c(O)cc(O)cc3o2)cc1 |w:6.6|
Oc1ccc(C=Cc2cc(O)c3c(cccc3=O)o2)cc1O |w:6.6|
Oc1ccc2c(c1)oc(\C=C\c1ccc(O)c(O)c1)cc2=O
Oc1cc2oc(C=Cc3ccc(O)c(O)c3)cc(O)c2c(=O)c1 |w:6.5|
c1c2c(n[nH]1)N=CNC2=O
Nc1ncnc2nc[nH]c12
O=C(Nc1ncnc2nc[nH]c12)c1ccccc1
Brc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
Oc1ccccc1Cn1c(nc2ccccc12)-c1ccccc1O
Clc1ccc(Cn2c(nc3ccccc23)-c2ccc(Cl)cc2)cc1
Clc1ccccc1Cn1c(nc2ccccc12)-c1ccccc1Cl
Cc1ccccc1Cn1c(nc2ccccc12)-c1ccccc1C
Cc1ccc(Cn2c(nc3ccccc23)-c2ccc(C)cc2)cc1
Oc1ccc(Cn2c(nc3ccccc23)-c2ccc(O)cc2)cc1
Oc1cccc(Cn2c(nc3ccccc23)-c2cccc(O)c2)c1
Clc1cccc(Cn2c(nc3ccccc23)-c2cccc(Cl)c2)c1
Cc1cccc(Cn2c(nc3ccccc23)-c2cccc(C)c2)c1
C(c1ccccc1)n1c(nc2ccccc12)-c1ccccc1
Oc1ccc2ccccc2c1-c1nc2ccccc2n1Cc1ccc2ccccc2c1O |(-7.35,4.21,;-6.58,5.54,;-5.04,5.54,;-4.27,6.87,;-5.04,8.21,;-4.27,9.54,;-5.04,10.88,;-6.58,10.88,;-7.35,9.54,;-6.58,8.21,;-7.35,6.87,;-8.89,6.87,;-9.8,8.12,;-11.26,7.64,;-12.59,8.42,;-13.93,7.64,;-13.93,6.1,;-12.59,5.33,;-11.26,6.1,;-9.8,5.63,;-9.8,4.09,;-11.18,3.3,;-12.51,4.08,;-13.85,3.31,;-13.85,1.77,;-15.19,1.01,;-15.2,-.53,;-13.87,-1.31,;-12.53,-.54,;-12.52,1,;-11.19,1.76,;-9.86,.98,)|
C(c1cccnc1)n1c(nc2ccccc12)-c1cccnc1
COc1cccc(Cn2c(nc3ccccc23)-c2cccc(OC)c2)c1
COc1ccc(Cn2c(nc3ccccc23)-c2ccc(OC)cc2)cc1
c1cc(c(cc1C(=O)O)O)O
COc1cc(ccc1O)C(O)=O
OC(=O)c1c(O)cc(O)cc1O
c1cc(ccc1/C=C/C(=O)O)O
COc1cc(ccc1O)\C=C\C(=O)O
CC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
CC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(OC)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
OCC1OC(Oc2cc3c(cc(O)cc3=[OH+])oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
OCC1OC(Oc2cc3c(cc(O)cc3=[OH+])oc2-c2ccc(O)cc2)C(O)C(O)C1O
COc1cc(ccc1O)-c1oc2cc(O)cc(=[OH+])c2cc1OC1OC(CO)C(O)C(O)C1O
Nc1ccccc1-c1cc(n[nH]1)-c1ccccc1
COc1ccc(cc1OC)C1Nc2ccccc2-c2cc(nn12)-c1ccccc1
Oc1c(Cl)cc(Cl)cc1C1Nc2ccccc2-c2cc(nn12)-c1ccccc1
[O-][N+](=O)c1cccc(c1)C1Nc2ccccc2-c2cc(nn12)-c1ccccc1
CC(C)n1cc(C#N)c2cc(ccc12)-n1cc(cn1)C(O)=O
OC(=O)c1cnn(c1)-c1ccc2n(CC3CC3)cc(C#N)c2c1
OC(=O)c1cnn(c1)-c1ccc2n(cc(C#N)c2c1)C1CC1
CC(C)Cn1cc(C#N)c2cc(ccc12)-n1cc(cn1)C(O)=O
CC(C)(C)Cn1cc(C#N)c2cc(ccc12)-n1cc(cn1)C(O)=O
COCCn1cc(C#N)c2cc(ccc12)-n1cc(cn1)C(O)=O
CCC(C)n1cc(C#N)c2cc(ccc12)-n1cc(cn1)C(O)=O
OC(=O)c1cnn(c1)-c1ccc2n(cc(C#N)c2c1)C1CCC1
OC(=O)c1cnn(c1)-c1ccc2n(cc(C#N)c2c1)C1CCCC1
CC(CF)n1cc(C#N)c2cc(ccc12)-n1cc(cn1)C(O)=O
OC(=O)c1cnn(c1)-c1ccc2n(cc(C#N)c2c1)C1CCOC1
CC(C)n1cc(C#N)c2cc(ccc12)-n1cc(C(O)=O)c(C)n1
Cc1nn(cc1C(O)=O)-c1ccc2n(CC3CC3)cc(C#N)c2c1
COCCn1cc(C#N)c2cc(ccc12)-n1cc(C(O)=O)c(C)n1
CC(C)n1cc(C#N)c2cc(ccc12)-n1cc(C(O)=O)c(n1)C(F)(F)F
OC(=O)c1cn(nc1C(F)(F)F)-c1ccc2n(CC3CC3)cc(C#N)c2c1
CC(C)n1cc([N+]([O-])=O)c2cc(ccc12)-n1cc(cn1)C(O)=O
CC(C)n1cc(C#N)c2cc(ccc12)-n1cnc(n1)C(O)=O
CC(C)n1cc(C#N)c2cc(ccc12)-n1cnc(c1)C(O)=O
CC(C)n1cc(C#N)c2cc(ccc12)-c1ccc(s1)C(O)=O
CC(C)n1cc(C#N)c2cc(ccc12)-c1cc(ccn1)C(O)=O
OC(=O)c1ccnc(c1)-c1ccc2n(CC3CC3)cc(C#N)c2c1
OC(=O)c1ccnc(c1)-c1ccc2n(cc(C#N)c2c1)C1CCOC1
CC(CF)n1cc(C#N)c2cc(ccc12)-c1cc(ccn1)C(O)=O
COCCn1cc(C#N)c2cc(ccc12)-c1cc(ccn1)C(O)=O
CC(C)n1cc(C#N)c2cc(ccc12)-c1cc(cc(C)n1)C(O)=O
CC(C)n1cc([N+]([O-])=O)c2cc(ccc12)-c1cc(ccn1)C(O)=O
OC(=O)c1cnn(c1)-c1cc(C#N)c2[nH]c(cc2c1)-c1ccccc1
CC(C)c1cc2cc(cc(C#N)c2[nH]1)-n1cc(cn1)C(O)=O
COCc1cc2cc(cc(C#N)c2[nH]1)-n1cc(cn1)C(O)=O
OC(=O)c1cnn(c1)-c1cc(C#N)c2[nH]ccc2c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2cc(F)c(F)cc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2ccc(OCc3ccccc3)cc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2ccc(OCCNC(=O)OCc3ccccc3)cc12
NCCOc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
CC(=O)NCCOc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
COc1ccc(cc1)-c1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
OC(=O)\C=C\c1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(C#N)c2c(OCc3ccccc3)cccc12
OC(=O)c1ccc(cc1)-n1cc(C#N)c2cc(OCc3cccs3)ccc12
OC(=O)c1ccc(cc1)-n1cc(C#N)c2cc(ccc12)C(O)=O
OCc1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
CN(C)C(=O)c1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
Nc1cc(ccc1C(O)=O)-n1cc(C#N)c2ccccc12
OC(=O)c1ccc(nc1)-n1cc(C#N)c2ccccc12
Cc1nc(sc1C(O)=O)-n1cc(C#N)c2ccccc12
Cc1ccc2n(cc(C#N)c2c1)-c1ccc(cn1)C(O)=O
Cc1cc2n(cc(C#N)c2cc1OCc1ccccc1)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(C#N)c2cc(ccc12)-c1ccccc1
OC(=O)c1ccc(cc1)-n1cc(C#N)c2cc(OCc3ccccc3)ccc12
OC(=O)c1ccc(cc1)-n1cc(C#N)c2cc(O)ccc12
COCCOc1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(C#N)c2cc(OCCOc3ccccc3)ccc12
OC(=O)c1ccc(cc1)-n1cc(C#N)c2ccc(cc12)-c1ccccc1
COc1cccc(c1)-c1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
COc1ccccc1-c1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(C#N)c2cc(ccc12)-c1cccs1
Cl.OC(=O)c1ccc(cc1)-n1cc(C#N)c2cc(ccc12)-c1ccncc1
OC(=O)c1ccc(cc1)-n1cc(C#N)c2cc(ccc12)C(=O)NCc1ccccc1
CN(Cc1ccccc1)C(=O)c1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
COCCNC(=O)c1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
CN(C)c1ccc(cc1)-c1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
CC(=O)c1ccc(cc1)-c1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
CS(=O)(=O)c1ccc(cc1)-c1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
OC(=O)COc1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
OCCOc1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
OCCCOc1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
CCOCCOc1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(C#N)c2cc(OCCOCc3ccccc3)ccc12
OC(=O)c1ccc(cc1)-n1cc(C#N)c2cc(OCc3ccsc3)ccc12
Cl.CN(C)CCCOc1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
CS(=O)(=O)c1ccc(COc2ccc3n(cc(C#N)c3c2)-c2ccc(cc2)C(O)=O)cc1
OC(=O)c1ccc(cc1)-n1cc(C#N)c2cc(ccc12)-c1ccc(O)c(Cl)c1
CC(C)(C)OC(=O)NCCCOc1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
Cl.NCCCOc1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
CS(=O)(=O)Nc1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
CS(=O)(=O)Nc1ccc(cc1)-c1ccc2n(cc(C#N)c2c1)-c1ccc(cc1)C(O)=O
OCc1ccc2c(cn(-c3ccc(cc3)C(O)=O)c2c1)C#N
COCCOc1ccc2c(cn(-c3ccc(cc3)C(O)=O)c2c1)C#N
OCCOc1ccc2c(cn(-c3ccc(cc3)C(O)=O)c2c1)C#N
Cc1nc(sc1C(O)=O)-n1cc(C#N)c2cc(C)ccc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2ccccc12
Cc1ccc2n(cc(C#N)c2c1)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2ccc(Cl)cc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2cc(F)ccc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2ccc(F)cc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2cc(F)c(Cl)cc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2cc3OCOc3cc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2ccc(cc12)C(F)(F)F
COc1ccc2n(cc(C#N)c2c1)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2cc(Cl)ccc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2cc(ccc12)-c1ccccc1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2ccc(cc12)-c1ccccc1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2cc(OCc3ccccc3)ccc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2cc(O)ccc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2c(OCc3ccccc3)cccc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2c(O)cccc12
CC(C)COc1ccc2n(cc(C#N)c2c1)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2cc(ccc12)C#N
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2ccc(cc12)C#N
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2c(cccc12)C#N
CC(C)Oc1ccc2n(cc(C#N)c2c1)-c1ccc(C(O)=O)c(O)c1
OCCOc1ccc2n(cc(C#N)c2c1)-c1ccc(C(O)=O)c(O)c1
COCCOc1ccc2n(cc(C#N)c2c1)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2ccc(O)cc12
OC(=O)COc1ccc2n(cc(C#N)c2c1)-c1ccc(C(O)=O)c(O)c1
CCOc1ccc2n(cc(C#N)c2c1)-c1ccc(C(O)=O)c(O)c1
COCCOc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
OC(=O)COc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
COc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
OCCOc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
CCOCCOc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
CCCOc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
CCCCOc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2ccc(OCCOc3ccccc3)cc12
CCOc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
CC(C)Oc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2c(F)cccc12
Cl.CN(C)CCCOc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
Cl.NCCCOc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
OCCCOc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
OCCCCOc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2ccc(OCc3ccccc3Cl)cc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2ccc(OCc3cccc(Cl)c3)cc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2ccc(OCc3ccc(Cl)cc3)cc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2ccc(OCC3CC3)cc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2ccc(OCC3CCC3)cc12
Cl.CN(C)CCOc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
CC(C)c1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
CS(=O)(=O)NCCOc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
CC(=O)NCCCOc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
CS(=O)(=O)NCCCOc1ccc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2c1)C#N
OC(=O)c1ccc(cc1)-n1cc(C#N)c2c(cccc12)-c1ccccc1
COc1cc2c(cn(-c3ccc(cc3)C(O)=O)c2cc1F)C#N
COc1c(C)cc2n(cc(C#N)c2c1C)-c1ccc(cc1)C(O)=O
COc1cc2c(cn(-c3ccc(cc3)C(O)=O)c2cc1Cl)C#N
Cc1cc2c(cn(-c3ccc(cc3)C(O)=O)c2cc1Cl)C#N
Cc1cc2c(cn(-c3ccc(cc3)C(O)=O)c2cc1F)C#N
CN(C)c1cc2c(cn(-c3ccc(cc3)C(O)=O)c2cc1C(F)(F)F)C#N
CC(C)Oc1cc2c(cn(-c3ccc(cc3)C(O)=O)c2cc1F)C#N
Cc1cc2c(cn(-c3ccc(cn3)C(O)=O)c2cc1F)C#N
COCOc1cc(ccc1C(O)=O)-n1cc(C#N)c2ccccc12
Cc1cc2c(cn(-c3ccc(C(O)=O)c(O)c3)c2cc1F)C#N
OC(=O)c1ccc(cc1O)-n1cc(C#N)c2cccc(F)c12
CCCCc1c(C)n(cc1C#N)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(C#N)c(OCc2ccccc2)n1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(n1)-c1csc2ccccc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccccc1O
COCCOc1ccccc1-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1)-n1cc(OCc2ccccc2)c(c1)C#N
OC(=O)c1ccnc(c1)-n1cc(C#N)c(c1)-c1ccccc1
OC(=O)c1cc(ccc1O)-n1cc(C#N)c(c1)-c1ccccc1
CC(=O)Nc1nn(cc1C#N)-c1ccc(cc1)C(O)=O
COCOc1ccccc1-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
COCOc1cccc(c1)-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
COCOc1ccc(cc1)-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccccc1O
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccc(O)c1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccc(O)cc1
OCCCOc1ccccc1-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OCCCOc1cccc(c1)-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OCCCOc1ccc(cc1)-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OCCOc1ccccc1-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OCCOc1cccc(c1)-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OCCOc1ccc(cc1)-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccccc1OCc1ccccc1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccc(OCc2ccccc2)c1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccc(OCc2ccccc2)cc1
OC(=O)COc1ccccc1-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OC(=O)COc1cccc(c1)-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OC(=O)COc1ccc(cc1)-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccccc1-c1ccccc1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccc(c1)-c1ccccc1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccc(cc1)-c1ccccc1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccccc1Oc1ccccc1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccc(Oc2ccccc2)c1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccc(Oc2ccccc2)cc1
Cc1ccccc1COc1ccccc1-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
Cc1cccc(COc2ccccc2-c2cn(cc2C#N)-c2ccc(cc2)C(O)=O)c1
Cc1ccc(COc2ccccc2-c2cn(cc2C#N)-c2ccc(cc2)C(O)=O)cc1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccccc1OCc1ccccc1F
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccccc1OCc1cccc(F)c1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccccc1OCc1ccc(F)cc1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccc(OCc2cccs2)c1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccc(OCc2ccsc2)c1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccccc1OCc1cccs1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccccc1OCc1ccsc1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccccc1OCc1ccccc1Cl
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccccc1OCc1ccc(Cl)cc1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccccc1OCc1ccccc1C(F)(F)F
COc1ccccc1COc1ccccc1-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
COc1cccc(COc2ccccc2-c2cn(cc2C#N)-c2ccc(cc2)C(O)=O)c1
Cc1ccc(COc2cccc(c2)-c2cn(cc2C#N)-c2ccc(cc2)C(O)=O)cc1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccc(OCc2ccccc2F)c1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccc(OCc2cccc(F)c2)c1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccc(OCc2ccc(F)cc2)c1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccc(OCc2cccc(Cl)c2)c1
COc1cccc(COc2cccc(c2)-c2cn(cc2C#N)-c2ccc(cc2)C(O)=O)c1
OCCCCOc1ccccc1-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OCCCCOc1cccc(c1)-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
COCCOc1ccccc1-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
COCCOc1cccc(c1)-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(c(F)c1)-n1cc(C#N)c(c1)-c1ccccc1
OC(=O)c1ccc(cc1)-n1cc(\C=C\c2ccccc2)c(c1)C#N
OC(=O)c1ccc(cc1)-n1cc(CCc2ccccc2)c(c1)C#N
OC(=O)c1ccc(cc1F)-n1cc(C#N)c(c1)-c1ccccc1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccc2ccccc12
OC(=O)c1ccc(cc1)-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccc(c1)C#N
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccc(cc1)C#N
CCOCCOc1ccccc1-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccccc1OCCOc1ccccc1
CCOCCOc1cccc(c1)-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccc(OCCOc2ccccc2)c1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccc(c1)C(O)=O
OCc1cccc(c1)-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
COc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
CCOC(=O)c1cn(cc1C(F)(F)F)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)C(=O)c1ccccc1
CNC(=O)c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
CN(C)C(=O)c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)C(=O)NCc1ccccc1
CN(Cc1ccccc1)C(=O)c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
COCCNC(=O)c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
COCCN(C)C(=O)c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)C(=O)N1CCCCC1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)C(=O)N1CCOCC1
CC(C)COc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
COCCOc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(Cc2ccccc2)c(c1)C#N
Cc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
CCCc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
CCCc1c(C)n(cc1C#N)-c1ccc(cc1)C(O)=O
CCCCc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
CC(C)Cc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
CC(C)Cc1c(C)n(cc1C#N)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccco1
CCCCCc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
CCCCCCc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
CCCCCCCc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(COCc2ccccc2)c(c1)C#N
OC(=O)c1ccc(cc1)-n1cc(c(n1)C#N)-c1ccc2OCOc2c1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccc2ccccc2c1
Cn1cc(-c2cn(cc2C#N)-c2ccc(cc2)C(O)=O)c2ccccc12
CC(C)n1cc(-c2cn(cc2C#N)-c2ccc(cc2)C(O)=O)c2ccccc12
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1csc2ccccc12
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccc2OC(F)(F)Oc12
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccn1-c1ccccc1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccn1Cc1ccccc1
CCOc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(CCc2ccco2)c(c1)C#N
OC(=O)c1ccc(cc1)-n1cc(CCC2CCCO2)c(c1)C#N
CN(C)\C=N\c1nn(cc1C#N)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-n1cc(C#N)c(NC(=O)c2ccccc2)n1
OC(=O)c1ccc(cc1)-n1cc(C#N)c(NC(=O)Cc2ccccc2)n1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1cccc(F)c1
COc1ccc(-c2cn(cc2C#N)-c2ccc(C(O)=O)c(O)c2)c(OC)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccc(F)cc1F
COc1ccc(cc1F)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
Cc1ccc(cc1F)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1cccc(F)c1F
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1cc(F)cc(F)c1
Cc1cccc(C)c1-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1 |(-4.49,3.31,;-4.89,1.83,;-6.38,1.43,;-6.78,-.06,;-5.69,-1.15,;-4.2,-.75,;-3.11,-1.84,;-3.8,.74,;-2.26,.74,;-1.36,-.51,;.11,-.03,;.11,1.51,;-1.36,1.98,;-2.13,3.32,;-2.9,4.65,;1.44,-.8,;1.44,-2.34,;2.78,-3.11,;4.11,-2.34,;5.44,-3.11,;6.78,-2.34,;5.44,-4.65,;4.11,-.8,;5.44,-.03,;2.78,-.03,)|
Cc1ccc(-c2cn(cc2C#N)-c2ccc(C(O)=O)c(O)c2)c(C)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1c(F)cccc1F |(6.78,-2.34,;5.44,-3.11,;5.44,-4.65,;4.11,-2.34,;2.78,-3.11,;1.44,-2.34,;1.44,-.8,;2.78,-.03,;4.11,-.8,;5.44,-.03,;.11,-.03,;.11,1.51,;-1.36,1.98,;-2.13,3.32,;-2.9,4.65,;-2.26,.74,;-1.36,-.51,;-3.8,.74,;-4.2,-.75,;-3.11,-1.84,;-5.69,-1.15,;-6.78,-.06,;-6.38,1.43,;-4.89,1.83,;-4.49,3.31,)|
Cc1c(F)cccc1-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
COc1ccc(-c2cn(cc2C#N)-c2ccc(C(O)=O)c(O)c2)c(C)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1cc(F)ccc1F
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1cccc(Cl)c1
COc1cccc(c1)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
Cc1cccc(c1)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1cccc(c1)C(F)(F)F
COc1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
COc1ccc(-c2cn(cc2C#N)-c2ccc(C(O)=O)c(O)c2)c(F)c1
COc1ccc(F)c(c1)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
COc1ccc(cc1OC)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
COc1ccc2ccccc2c1-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1 |(-5.58,4.4,;-4.49,3.31,;-4.89,1.83,;-6.38,1.43,;-6.78,-.06,;-5.69,-1.15,;-6.09,-2.64,;-5,-3.72,;-3.51,-3.33,;-3.11,-1.84,;-4.2,-.75,;-3.8,.74,;-2.26,.74,;-1.36,-.51,;.11,-.03,;.11,1.51,;-1.36,1.98,;-2.13,3.32,;-2.9,4.65,;1.44,-.8,;1.44,-2.34,;2.78,-3.11,;4.11,-2.34,;5.44,-3.11,;5.44,-4.65,;6.78,-2.34,;4.11,-.8,;5.44,-.03,;2.78,-.03,)|
OC(=O)c1ccc(cc1O)-n1cc(CCc2ccccc2)c(c1)C#N
OC(=O)c1ccc(cc1O)-n1cc(\C=C\c2ccccc2)c(c1)C#N
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1cc2ccccc2s1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1cc2ccccc2o1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1csc2ccccc12
Cn1cc(-c2cn(cc2C#N)-c2ccc(C(O)=O)c(O)c2)c2ccccc12
COc1ccccc1\C=C\c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
COc1ccccc1CCc1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
COc1ccc(\C=C\c2cn(cc2C#N)-c2ccc(C(O)=O)c(O)c2)cc1
COc1ccc(CCc2cn(cc2C#N)-c2ccc(C(O)=O)c(O)c2)cc1
OC(=O)c1cn(cc1C(F)(F)F)-c1ccc(C(O)=O)c(O)c1
CCOC(=O)c1cn(cc1C(F)(F)F)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)C(F)(F)F
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccccc1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(n1)-c1ccccc1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccccc1Oc1ccccc1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1cccn1-c1ccccc1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccc2OCCOc2c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1cccs1
Cc1ccccc1-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccccc1Cl
COc1ccccc1-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
Cc1ccc(s1)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
Cc1ccsc1-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccccc1C(F)(F)F
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccc(Cl)s1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccsc1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccc(Cl)cc1
COc1ccc(cc1)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
Cc1ccc(cc1)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccc(cc1)C(F)(F)F
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccccc1F
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccc(F)cc1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccc2OCOc2c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1cccc2OCOc12
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1cccc2ccccc12
CCc1c(c(cn1-c1ccc(C(O)=O)c(O)c1)C#N)-c1ccccc1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccccc1-c1ccccc1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1cccc(c1)C#N
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccc(cc1)C#N
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccccc1OCc1ccccc1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1cccc(OCc2ccccc2)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccc(COc2ccccc2)cc1
CCOc1ccccc1-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
CCCOc1ccccc1-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1cccc(O)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccc(O)cc1
CCOc1ccc(cc1)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
CCCOc1cccc(c1)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
CCCOc1ccc(cc1)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
CCOc1cccc(c1)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
COCCOc1cccc(c1)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
CC(C)Oc1ccc(cc1)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
COCCOc1ccc(cc1)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1nccs1
CSc1ccccc1-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
CSc1ccc(cc1)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1O)-n1ccc(c1)[N+]([O-])=O
CC(C)(C)c1nn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1O)-n1ccc(n1)C#N
CCCCc1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccco1
OC(=O)c1ccc(cc1O)-n1cc(Cc2ccccc2)c(c1)C#N
OC(=O)c1ccc(cc1O)-n1ccc(c1)C#N
Cc1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccnc(c1)-n1cc(C#N)c(c1)-c1cccs1
Cc1ccccc1-c1cn(cc1C#N)-c1cc(ccn1)C(O)=O
Cc1cccc(c1)-c1cn(cc1C#N)-c1cc(ccn1)C(O)=O
Cc1ccc(cc1)-c1cn(cc1C#N)-c1cc(ccn1)C(O)=O
OC(=O)c1ccnc(c1)-n1cc(C#N)c(c1)-c1ccccc1Cl
OC(=O)c1ccnc(c1)-n1cc(C#N)c(c1)-c1ccc(Cl)cc1
COc1ccccc1-c1cn(cc1C#N)-c1cc(ccn1)C(O)=O
COc1cccc(c1)-c1cn(cc1C#N)-c1cc(ccn1)C(O)=O
COc1ccc(cc1)-c1cn(cc1C#N)-c1cc(ccn1)C(O)=O
OC(=O)c1ccnc(c1)-n1cc(C#N)c(c1)-c1ccc2OCCOc2c1
OC(=O)c1ccnc(c1)-n1cc(C#N)c(c1)C1=CCCCC1 |t:18|
OC(=O)c1ccc(nc1)-n1cc(C#N)c(c1)-c1ccccc1
Cc1cc2n(cc([N+]#[C-])c2s1)-c1ccc(C(O)=O)c(O)c1
OC(=O)c1ccc(cc1O)-n1cc([N+]#[C-])c2sccc12
OC(=O)c1ccc(cc1O)-n1cc([N+]#[C-])c2cscc12
OC(=O)c1ccc(cc1O)-n1cc([N+]#[C-])c2cc(Br)sc12
OC(=O)c1ccc(cc1O)-n1cc([N+]#[C-])c2ccsc12
Cc1nc(NCc2ccccc2)sc1C(O)=O
Cc1nc(NCc2ccc(Cl)cc2)sc1C(O)=O
Cc1nc(NCc2ccc(F)cc2)sc1C(O)=O
Cc1nc(NCc2ccc(Br)cc2)sc1C(O)=O
Cc1nc(NCc2ccc(C)cc2)sc1C(O)=O
Cc1nc(NCc2ccc(O)cc2)sc1C(O)=O
COc1ccc(CNc2nc(C)c(s2)C(O)=O)cc1
Cc1nc(NCc2ccccc2Br)sc1C(O)=O
Cc1nc(NCc2ccccc2Cl)sc1C(O)=O
Cc1nc(NCc2ccccc2C)sc1C(O)=O
Cc1nc(NCc2ccc(Cl)cc2Cl)sc1C(O)=O
Cc1nc(NCc2ccccc2O)sc1C(O)=O
COc1ccccc1CNc1nc(C)c(s1)C(O)=O
Cc1nc(NCc2ccc(O)c(O)c2)sc1C(O)=O
CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O
O=C(Nc1ccccc1)C1C(=O)NC(=S)NC1=O
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccccc1
Oc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
Oc1ccc(NC(=O)c2c(O)[nH]c(=S)[nH]c2=O)cc1
COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)=O
COc1ccc(cc1)N1CCN(CC1C)C(=O)CNc1ccc(cc1)C(C)=O
COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)C
CCOc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)=O
COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(F)c(F)c1
COc1ccc(cc1)N1CCN(CC1)C(=O)CN(CC(=O)N1CCN(CC1)c1ccc(OC)cc1)c1ccc(cc1)C(C)C
CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccc(N)cc2)cc1
CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccccc2O)cc1
CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccccc2N)cc1
CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccc(O)cc2)cc1
CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccc(OC(F)(F)F)cc2)cc1
COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
COc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(F)ccc2[nH]1
COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1
COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(O)ccc2[nH]1
CCc1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC)cc1
Oc1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC(F)(F)F)cc1
COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
COC(=O)c1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC)cc1
CNC(=O)c1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC)cc1
COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(N)=O
COc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(OC)ccc2[nH]1
COC(=O)C1CN(CCN1C(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(OC)cc1
COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(O)=O
CCOc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
COc1ccc(cc1)N1CCN(CC1)C(=O)c1cnc2cc(ccc2c1O)C(C)=O
CC(C)Oc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(ccc2[nH]1)C(N)=O
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1cccc(c1)-c1cn[nH]n1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1ncn[nH]1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1nn[nH]c1-c1ccccc1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1n[nH]nc1C(F)(F)F
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1nc(n[nH]1)C(F)(F)F
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(-c2c[nH]nn2)c(c1)C(F)(F)F
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1C(F)(F)F)-c1c[nH]nn1
Oc1cc([nH]n1)-c1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1cn[nH]c1C(F)(F)F
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-n1cc(cn1)C(F)(F)F
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1cc(n[nH]1)C(F)(F)F
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1[nH]ncc1C(F)(F)F
CSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2nn[nH]c2C)c(=O)[nH]1
CC(C)Sc1nc(O)c(C(=O)Nc2ccc(cc2)-c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ccc(cn2)-c2c[nH]nn2)c(=O)[nH]1
COc1nc(O)c(C(=O)Nc2ccc(cc2)-c2nn[nH]c2C)c(=O)[nH]1
CSc1nc(O)c(C(=O)NC23CC(C2)(C3)c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ccc(nc2)-c2c[nH]nn2)c(=O)[nH]1
Oc1nc(SC(F)(F)F)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1c[nH]nn1
CSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2nnc[nH]2)c(=O)[nH]1
CCSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2cccc(c2)-c2c[nH]nn2)c(=O)[nH]1
CC(C)Sc1nc(O)c(C(=O)Nc2ccc(cc2)-c2nnc[nH]2)c(=O)[nH]1
Oc1nc(SCC2CC2)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1c[nH]nn1
CCSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2nn[nH]n2)c(=O)[nH]1
CC(C)CSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ccc(-c3c[nH]nn3)c(F)c2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ccc(cc2F)-c2c[nH]nn2)c(=O)[nH]1
CCNc1nc(O)c(C(=O)Nc2ccc(cc2)-c2c[nH]nn2)c(=O)[nH]1
CCN(C)c1nc(O)c(C(=O)Nc2ccc(cc2)-c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2c(F)cc(cc2F)-c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2cc(F)c(-c3c[nH]nn3)c(F)c2)c(=O)[nH]1
CC(C)Sc1nc(O)c(C(=O)Nc2ccc(cc2F)-c2c[nH]nn2)c(=O)[nH]1
CC(C)Sc1nc(O)c(C(=O)Nc2ccc(-c3c[nH]nn3)c(F)c2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2c(Cl)cc(cc2Cl)-c2c[nH]nn2)c(=O)[nH]1
CN(C)CCSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2c[nH]nn2)c(=O)[nH]1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ncc(s1)-c1c[nH]nn1
CSc1nc(O)c(C(=O)Nc2ccc(-c3c[nH]nn3)c(F)c2F)c(=O)[nH]1
CN(C)CCSc1nc(O)c(C(=O)Nc2ccc(cc2F)-c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2cc(F)c(cc2F)-c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ccc(cc2C(F)(F)F)-c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ccc(nn2)-c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ccc(cc2Cl)-c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ccc(-c3c[nH]nn3)c(Cl)c2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ccc(cc2OC(F)(F)F)-c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ccc(cc2OC(F)F)-c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ccc(cc2C#N)-c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ccc(-c3c[nH]nn3)c(c2)C(F)(F)F)c(=O)[nH]1
CC(C)Sc1nc(O)c(C(=O)Nc2ccc(cc2C(F)(F)F)-c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ncc(cc2C(F)(F)F)-c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ncc(cc2F)-c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ccc3nc(ccc3c2)-c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ccc3nc(ccc3c2C(F)(F)F)-c2c[nH]nn2)c(=O)[nH]1
OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
OC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
OC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
COC(=O)[C@H](C)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
C[C@H](NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1)C(O)=O |r|
COC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
OC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
COC(=O)[C@@H](Cc1ccc(OC)c(OC)c1)OC(=O)\C=C\c1ccc(OC)c2oc(cc12)-c1ccc(OC)c(OC)c1 |r|
COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(OC)c2oc(cc12)-c1ccc(OC)c(OC)c1 |r|
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(OC)c2oc(cc12)-c1ccc(OC)c(OC)c1 |r|
COc1ccc(cc1OC)-c1cc2c(\C=C\C(=O)N[C@@H](Cc3ccc(O)c(O)c3)C(O)=O)ccc(OC)c2o1 |r|
c1cc(c(cc1C[C@@H](C(=O)O)N)O)O
N[C@H](Cc1ccc(O)c(O)c1)C(O)=O
N[C@@H](Cc1ccccc1)C(O)=O
C[C@H](N)C(O)=O
c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
c1cc(ccc1C[C@@H](C(=O)O)N)O
C([C@@H](C(=O)O)N)S
CSCC[C@@H](C(=O)O)N
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
COc1ccc(c(n1)S(=O)(=O)CCc1cnccn1)[N+]([O-])=O
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1nnc[nH]1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1[nH]nnc1-c1ccccc1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1[nH]nnc1C(F)(F)F
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(-c2cnn[nH]2)c(c1)C(F)(F)F
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1C(F)(F)F)-c1cnn[nH]1
O=c1[nH]cnc2[nH]ncc12
Oc1[nH]c(=O)[nH]c(=O)c1C(=N)Nc1ccc(cc1)-c1c[nH]nn1
CSC(Nc1ccc(cc1)-c1cnn[nH]1)=C1C(=O)NC(=O)NC1=O |(-1.33,-2.31,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;4,-5.39,;2.67,-9.24,;1.42,-10.15,;1.9,-11.61,;3.44,-11.61,;3.91,-10.15,;1.33,-.77,;2.67,,;4,-.77,;2.67,1.54,;1.33,2.31,;1.33,3.85,;,1.54,;;-1.33,-.77,)|
O\N=C(\Nc1ccc(cc1)-c1cnn[nH]1)C1C(=O)NC(=O)NC1=O
N\N=C(\Nc1ccc(cc1)-c1cnn[nH]1)C1C(=O)NC(=O)NC1=O
Cn1c(O)c(C(=O)Nc2ccc(cc2)-c2c[nH]nn2)c(=O)n(C)c1=O
Cn1c(O)c(C(=N)Nc2ccc(cc2)-c2cnn[nH]2)c(=O)n(C)c1=O
Cn1c(O)nc(O)c(C(=O)Nc2ccc(cc2)-c2c[nH]nn2)c1=O
COc1nc(O)c(C(=O)Nc2ccc(cc2)-c2cnn[nH]2)c(=O)[nH]1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)NC1CCC(CC1)c1cnn[nH]1 |(-1.33,-.77,;;,1.54,;1.33,2.31,;1.33,3.85,;2.67,1.54,;2.67,,;4,-.77,;1.33,-.77,;1.33,-2.31,;,-3.08,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;4,-5.39,;2.67,-9.24,;3.91,-10.15,;3.44,-11.61,;1.9,-11.61,;1.42,-10.15,)|
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)NC1CCC(O)(CC1)c1c[nH]nn1 |(4.43,13.17,;3.61,14.48,;4.33,15.83,;3.52,17.14,;4.24,18.5,;1.98,17.09,;1.26,15.73,;-.28,15.67,;2.07,14.42,;1.35,13.06,;-.19,13.01,;2.16,11.76,;1.44,10.4,;2.26,9.09,;1.53,7.73,;-0,7.68,;-1.28,6.82,;-.82,8.98,;-.1,10.34,;-0,6.14,;-1.25,5.23,;-.77,3.77,;.77,3.77,;1.24,5.23,)|
Nc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1cnn[nH]1
Nc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1ccc(cc1)-c1cnn[nH]1
Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1[nH]nnc1-c1ccccc1
Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1noc(n1)C(F)(F)F
CSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2cnn[nH]2)c(=O)n1C
CSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2cnn[nH]2)c(O)n1
CC(C)Sc1nc(O)c(C(=O)Nc2ccc(cc2)-c2cnn[nH]2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2cnn[nH]2)c(=O)[nH]1
Oc1nc(O)c(C(=O)NC23CC(C2)(C3)c2c[nH]nn2)c(=O)[nH]1
CSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2[nH]nnc2C)c(=O)[nH]1
Cc1[nH]nnc1-c1ccc(NC(=O)c2c(O)nc(CO)[nH]c2=O)cc1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc2C(=O)NS(=O)(=O)c2c1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc2NC(=O)C(=O)c2c1
Oc1nc(O)c(C(=O)Nc2ccc3c(NC(=O)C33OCCO3)c2)c(O)n1
Oc1nc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)nc2[nH]ncc12
O=c1[nH]c2onc(Nc3ccc(cc3)C3=NN=NC3)c2c(=O)[nH]1 |c:17,t:15|
O=c1[nH]c2[nH]nc(Nc3ccc(cc3)-c3cnn[nH]3)c2c(=O)[nH]1
Cn1c2[nH]nc(Nc3ccc(cc3)-c3cnn[nH]3)c2c(=O)n(C)c1=O
[O-]c1[nH]c(=O)nc2[nH]n(-c3ccc(cc3)-c3cnn[nH]3)c(=O)c12
ONC(=O)c1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
ONC(=O)c1cc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)ccn1
OC[C@H]1O[C@@H](Oc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
COc1cc(ccc1O)C(=O)OC[C@H]1O[C@@H](OCCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
COc1cc(cc(OC)c1O)C(O)C(CO)O[C@@H]1O[C@H](COC(=O)c2cc(OC)c(O)c(OC)c2)[C@@H](O)[C@H](O)[C@H]1O |r|
[H][C@@]1(O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(=C)C[C@@]4([H])C4=CC[C@]6([H])[C@@]7(C)CC[C@H](O[C@]8([H])OC[C@H](O)[C@H](O)[C@H]8O[C@]8([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)C(C)(C)[C@]7([H])CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r,t:26|
[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O[C@H]2OC[C@@]2(C)[C@@H](O)CC[C@@]3(C)[C@@]2([H])CC[C@]2(C)[C@]3([H])CC[C@]3([H])[C@]4([H])C[C@](C)(O)CC[C@@]4(CC[C@@]23C)C(O)=O)O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r|
[H][C@@]1(O[C@H]2[C@H](O)[C@@H](COC(C)=O)O[C@@H](OC[C@@]3(C)[C@@H](O)CC[C@@]4(C)[C@@]3([H])CC[C@]3(C)[C@]4([H])CC[C@]4([H])[C@]5([H])C[C@](C)(O)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@H]2O[C@]2([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)OC[C@H](O)[C@H](O)[C@H]1O |r|
[H][C@@]1(O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC[C@@]3(C)[C@@H](O)CC[C@@]4(C)[C@@]3([H])CC[C@]3(C)[C@]4([H])CC[C@]4([H])[C@]5([H])C[C@](C)(O)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@H]2O)OC[C@H](O)[C@H](O)[C@H]1O |r|
[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2ccc(cc2OC)C(O)=O)OC[C@](O)(COC(=O)c2ccc(O)c(OC)c2)[C@H]1O |r|
[H][C@@]1(O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(=C)C[C@@]4([H])C4=CC[C@]6([H])[C@@]7(C)CC[C@H](O[C@]8([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]9([H])OC[C@H](O)[C@H](O)[C@H]9O[C@]9([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H]8O)C(C)(C)[C@]7([H])CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r,t:26|
[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC[C@@]2(C)[C@@H](O)CC[C@@]3(C)[C@@]2([H])CC[C@]2(C)[C@]3([H])CC[C@]3([H])[C@]4([H])C[C@](C)(O)CC[C@@]4(CC[C@@]23C)C(O)=O)O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r|
CC(=C)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)C(O)=O
COc1ccc(\C=C2/Oc3cc(OCC(O)=O)ccc3C2=O)c(OC)c1
Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
OC(=O)c1ccc(\C=C2/Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)cc1
OC(=O)c1ccc(\C=C2/Oc3cc(OCc4ccccc4)ccc3C2=O)cc1
OC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1C(O)=O
COc1ccc(\C=C2/Oc3cc(OCC(O)=O)ccc3C2=O)cc1
OC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)C(O)=O
OC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1Cl
OC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1
Cc1ccc(C)c(COc2ccc3C(=O)\C(Oc3c2)=C\c2ccc(cc2)C(O)=O)c1
COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)C(O)=O
COc1ccccc1\C=C1/Oc2cc(OCC(O)=O)ccc2C1=O
OC(=O)c1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
Oc1ccccc1C(=O)\C=C\c1ccccc1
Oc1cccc(c1)C(=O)\C=C\c1ccccc1
Oc1cccc(\C=C\C(=O)c2ccccc2)c1
c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O
Oc1ccccc1\C=C\C(=O)c1ccccc1O
Oc1ccc(C(=O)\C=C\c2ccccc2)c(O)c1
Oc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1
Oc1cccc(\C=C\C(=O)c2cccc(O)c2)c1
Oc1ccc(C(=O)\C=C\c2ccccc2O)c(O)c1
Oc1cccc(\C=C\C(=O)c2ccc(O)cc2O)c1
c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O
Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1
Oc1ccccc1\C=C\C(=O)c1ccccc1
Oc1cccc(\C=C\C(=O)c2ccccc2O)c1
Oc1ccc(\C=C\C(=O)c2cccc(O)c2)cc1
CC(C)COc1ccc(cc1C#N)-n1cc(cn1)C(O)=O
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
Cc1ccc(cc1)-c1nc2c3cn[nH]c3[nH]c(=O)n2n1
Brc1ccc(cc1)-c1nc2c3cn[nH]c3[nH]c(=O)n2n1
Clc1ccc(cc1)-c1nc2c3cn[nH]c3[nH]c(=O)n2n1
CCCCc1nc2c3cn[nH]c3[nH]c(=O)n2n1
CCc1nc2c3cn[nH]c3[nH]c(=O)n2n1
Cc1nc2c3cn[nH]c3[nH]c(=O)n2n1
O=c1[nH]c2[nH]ncc2c2ncnn12
[O-][N+](=O)c1ccc(\C=N\Nc2nc(=O)[nH]c3[nH]ncc23)cc1
Oc1ccc(\C=N\Nc2nc(=O)[nH]c3[nH]ncc23)cc1
OC(=O)c1ccc(\C=N\Nc2nc(=O)[nH]c3[nH]ncc23)cc1
O=c1nc(N\N=C\c2ccc3OCOc3c2)c2cn[nH]c2[nH]1
COc1ccc(\C=N\Nc2nc(=O)[nH]c3[nH]ncc23)cc1
Cc1ccc(\C=N\Nc2nc(=O)[nH]c3[nH]ncc23)cc1
Clc1ccc(\C=N\Nc2nc(=O)[nH]c3[nH]ncc23)cc1
Clc1cccc(\C=N\Nc2nc(=O)[nH]c3[nH]ncc23)c1
Clc1cccc(c1)-c1nc2c3cn[nH]c3[nH]c(=O)n2n1
Clc1ccccc1-c1nc2c3cn[nH]c3[nH]c(=O)n2n1
Fc1ccc(cc1)-c1nc2c3cn[nH]c3[nH]c(=O)n2n1
O=c1[nH]c2[nH]ncc2c2nc(nn12)-c1ccccc1
C=CCCCCCCCCc1nc2c3cn[nH]c3[nH]c(=O)n2n1
CCCCCCCc1nc2c3cn[nH]c3[nH]c(=O)n2n1
O=c1cc([nH]c2ccccc12)-c1cccnc1
Clc1ccccc1\C=N\Nc1nc(=O)[nH]c2[nH]ncc12
CCCCCCCCOc1ccc(cc1C#N)-n1cc(cn1)C(O)=O
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#8])c2)c(-[#8])cc1-[#8]
O=c1[nH]c2[nH]ncc2c2nc(nn12)-c1ccc2OCOc2c1
COc1ccc(cc1)-c1nc2c3cn[nH]c3[nH]c(=O)n2n1
C=CCCCCCCCC\C=N\Nc1nc(=O)[nH]c2[nH]ncc12
Oc1nc(cc(n1)-c1ccccc1)-c1ccccc1
CC1(C)Oc2cc(O)c(cc2C=C1)C(=O)\C=C\c1ccc(O)c(O)c1 |c:12|
Oc1ccc(cc1O)C(C=C)c1cc(O)c(O)cc1CC=C
Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)c(c2O1)-c1cc(ccc1O)C1CC(=O)c2c(O)cc(O)cc2O1 |(38.75,-8.78,;37.41,-9.55,;37.41,-11.09,;36.07,-11.85,;34.74,-11.08,;34.74,-9.54,;36.07,-8.77,;33.41,-11.84,;33.41,-13.38,;32.07,-14.15,;32.06,-15.69,;30.74,-13.38,;29.41,-14.15,;29.41,-15.69,;28.07,-13.38,;28.08,-11.84,;26.74,-11.07,;29.4,-11.07,;30.74,-11.83,;32.07,-11.06,;29.4,-9.54,;28.06,-8.78,;28.05,-7.24,;29.39,-6.46,;30.72,-7.23,;30.73,-8.76,;32.06,-9.53,;26.72,-6.47,;25.4,-7.25,;24.06,-6.49,;22.73,-7.26,;24.05,-4.94,;22.72,-4.18,;21.39,-4.95,;22.71,-2.64,;24.06,-1.86,;24.06,-.32,;25.39,-2.63,;25.39,-4.17,;26.71,-4.93,)|
C\C=N\Nc1nc(=O)[nH]c2[nH]ncc12
c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
CC(C)(C)COc1ccc(cc1C#N)-n1cc(cn1)C(O)=O
CC(C)COc1ccc(cc1Br)-n1cc(cn1)C(O)=O
O=c1nc(cc([nH]1)-c1cccc2ccccc12)-c1ccncc1
Oc1ccc(cc1)-c1nc2c3cn[nH]c3[nH]c(=O)n2n1
Clc1ccc(cc1)-c1cc([nH]c(=O)n1)-c1ccc(Cl)cc1
O=c1nc(cc([nH]1)-c1cccs1)-c1ccncc1
O=c1nc(N\N=C\c2ccccc2)c2cn[nH]c2[nH]1
Oc1ccc(CC=C)cc1O
Oc1ccc(cc1[N+]([O-])=O)-c1nc2c3cn[nH]c3[nH]c(=O)n2n1
[O-][N+](=O)c1ccc(cc1)-c1nc2c3cn[nH]c3[nH]c(=O)n2n1
c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2
CCCCOc1ccc(cc1C#N)-n1cc(cn1)C(O)=O
c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
CC(C)COc1ccc(cc1[N+]([O-])=O)-n1cc(cn1)C(O)=O
c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O
c1cnccc1c2[nH]nc(n2)c3ccnc(c3)C#N
O=c1nc(cc([nH]1)-c1ccco1)-c1ccncc1
Fc1ccc(\C=N\Nc2nc(=O)[nH]c3[nH]ncc23)cc1
CCCCCCCOc1ccc(cc1C#N)-n1cc(nn1)C(O)=O
COc1cccc(COc2ccc(cc2C#N)-n2cc(nn2)C(O)=O)c1
OC(=O)c1cn(nn1)-c1ccc(OCc2cccc(c2)C#N)c(c1)C#N
COc1ccccc1COc1ccc(cc1C#N)-n1cc(nn1)C(O)=O
OC(=O)c1cn(nn1)-c1ccc(OCc2ccc(Cl)cc2)c(c1)C#N
CCCCCCOc1ccc(cc1C#N)-n1cc(nn1)C(O)=O
COCCOc1ccc(cc1C#N)-n1cc(nn1)C(O)=O
OC(=O)c1cn(nn1)-c1ccc(OC2CCCC2)c(c1)C#N
OC(=O)c1cn(nn1)-c1ccc(OCc2ccccc2)c(c1)C#N
COc1ccc(COc2ccc(cc2C#N)-n2cc(nn2)C(O)=O)cc1
CCCCCCCCOc1ccc(cc1C#N)-n1cc(nn1)C(O)=O
OC(=O)c1cn(nn1)-c1ccc(OCc2ccc(cc2)C#N)c(c1)C#N
CCCCOc1ccc(cc1C#N)-n1cc(nn1)C(O)=O
CC(C)CCOc1ccc(cc1C#N)-n1cc(nn1)C(O)=O
CCCCCOc1ccc(cc1C#N)-n1cc(nn1)C(O)=O
CCC(C)Oc1ccc(cc1C#N)-n1cc(nn1)C(O)=O
CC(C)COc1ccc(cc1C#N)-n1cc(nn1)C(O)=O
CC(C)Oc1ccc(cc1C#N)-n1cc(nn1)C(O)=O
CCCOc1ccc(cc1C#N)-n1cc(nn1)C(O)=O
[H][C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1cc(O)cc2O[C@H](CC(=O)c12)c1ccc(O)cc1 |r|
CCCCCCOc1ccc(NC(=O)c2ccncc2)cc1C#N
O=C(Nc1ccc(OCc2ccc(cc2)C#N)c(c1)C#N)c1ccncc1
CCCCCCCOc1ccc(NC(=O)c2ccncc2)cc1C#N
CC(C)COc1ccc(NC(=O)c2ccncc2)cc1C#N
O=C(Nc1ccc(OCc2cccc(c2)C#N)c(c1)C#N)c1ccncc1
CC(C)CCOc1ccc(NC(=O)c2ccncc2)cc1C#N
CCC(C)Oc1ccc(NC(=O)c2ccncc2)cc1C#N
CCCOc1ccc(NC(=O)c2ccncc2)cc1C#N
CCCCOc1ccc(NC(=O)c2ccncc2)cc1C#N
CCCCCOc1ccc(NC(=O)c2ccncc2)cc1C#N
CCCCCCCCOc1ccc(NC(=O)c2ccncc2)cc1C#N
CC(C)Oc1ccc(NC(=O)c2ccncc2)cc1C#N
O=C(Nc1ccc(OC2CCCC2)c(c1)C#N)c1ccncc1
O=C(Nc1ccc(OCc2ccccc2)c(c1)C#N)c1ccncc1
Clc1ccc(COc2ccc(NC(=O)c3ccncc3)cc2C#N)cc1
COc1ccc(COc2ccc(NC(=O)c3ccncc3)cc2C#N)cc1
COc1ccccc1COc1ccc(NC(=O)c2ccncc2)cc1C#N
CC(C)CCOc1ccc(NC(=O)c2cccnc2)cc1C#N
O=C(Nc1ccc(OCc2ccccc2)c(c1)C#N)c1cccnc1
O=C(Nc1ccc(OCc2ccccc2C#N)c(c1)C#N)c1ccncc1
O=C(Nc1ccc(OCc2ccccc2)c(c1)C#N)c1ccccn1
[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6](/[#6])-[#7]-[#7]-c2ccccc2)-[#6]-1=O
[#8-]-[#7+](=O)-c1ccccc1\[#6]=[#6]-1\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-1=O
[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6](/[#6])-[#7]-[#7]-c2ccc(cc2)-[#7+](-[#8-])=O)-[#6]-1=O
[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/c2ccccc2-[#7+](-[#8-])=O)-[#6]-1=O
CC(C)Oc1ccc(cc1I)-c1cc(nc(S)n1)C(O)=O
CCCCOc1ccc(cc1I)-c1cc(nc(S)n1)C(O)=O
CC(C)Oc1ccc(cc1Br)-c1cc(nc(S)n1)C(O)=O
CC(C)COc1ccc(cc1Br)-c1cc(nc(S)n1)C(O)=O
CC(C)CCOc1ccc(cc1Br)-c1cc(nc(S)n1)C(O)=O
CC(C)COc1ccc(cc1I)-c1cc(nc(S)n1)C(O)=O
CC(C)CCOc1ccc(cc1I)-c1cc(nc(S)n1)C(O)=O
CCC(C)Oc1ccc(cc1I)-c1cc(nc(S)n1)C(O)=O
CC(C)Oc1ccc(cc1C#N)-c1cc(nc(S)n1)C(O)=O
CC(C)COc1ccc(cc1C#N)-c1cc(nc(S)n1)C(O)=O
CC(C)CCOc1ccc(cc1C#N)-c1cc(nc(S)n1)C(O)=O
CCCCOc1ccc(cc1C#N)-c1cc(nc(S)n1)C(O)=O
CCC(C)Oc1ccc(cc1C#N)-c1cc(nc(S)n1)C(O)=O
CC(C)Oc1ccc(cc1[N+]([O-])=O)-c1cc(nc(S)n1)C(O)=O
CC(C)COc1ccc(cc1[N+]([O-])=O)-c1cc(nc(S)n1)C(O)=O
CC(C)CCOc1ccc(cc1[N+]([O-])=O)-c1cc(nc(S)n1)C(O)=O
CCCCOc1ccc(cc1[N+]([O-])=O)-c1cc(nc(S)n1)C(O)=O
CCC(C)Oc1ccc(cc1[N+]([O-])=O)-c1cc(nc(S)n1)C(O)=O
Oc1cc(cccc1=O)\N=N\c1cccc(c1)[N+]([O-])=O
Oc1cc(cccc1=O)\N=N\c1cccc(F)c1
Oc1cc(cccc1=O)\N=N\c1cccc(Cl)c1
COc1cccc(c1)\N=N\c1cccc(=O)c(O)c1
Oc1cc(cccc1=O)\N=N\c1cccc(c1)C#N
COC(=O)c1cccc(c1)\N=N\c1cccc(=O)c(O)c1
Oc1cc(cccc1=O)\N=N\c1ccc(C#N)c(c1)C(F)(F)F
Oc1cc(cccc1=O)\N=N\c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1cc(cc(OC)c1OC)\N=N\c1cccc(=O)c(O)c1
Oc1cc(cccc1=O)\N=N\c1ccccc1
Oc1cc(cccc1=O)\N=N\c1cccc(c1)C(F)(F)F
Cc1c(cccc1[N+]([O-])=O)\N=N\c1cccc(=O)c(O)c1
CC(C)CNc1ccc(cc1C#N)-n1cc(cn1)C(O)=O
Cc1nn(cc1C(O)=O)-c1ccc(N2CCCCC2)c(c1)[N+]([O-])=O
Cc1nn(cc1C(O)=O)-c1ccc(N2CCCCC2)c(c1)C#N
CC(C)CN(C)c1ccc(cc1C#N)-n1cc(cn1)C(O)=O
CN(C)c1ccc(cc1C#N)-n1cc(cn1)C(O)=O
CC(C)(C)COc1ccc(cc1C#N)-n1cc(C(O)=O)c(n1)C(F)(F)F
CCOc1ccc(cc1C#N)-n1cc(C(O)=O)c(n1)C(F)(F)F
CCCCCCCCOc1ccc(cc1C#N)-n1cc(C(O)=O)c(C)n1
CC(C)Oc1ccc(cc1C#N)-n1cc(C(O)=O)c(C)n1
CCOc1ccc(cc1C#N)-n1cc(C(O)=O)c(C)n1
Cc1nn(cc1C(O)=O)-c1ccc(N2CCOCC2)c(c1)C#N
CC(C)Oc1ccc(cc1C#N)-n1cc(C(O)=O)c(n1)C(F)(F)F
CC(C)COc1ccc(cc1C#N)-n1cc(C(O)=O)c(n1)C(F)(F)F
OC(=O)c1cnn(c1)-c1ccc(N2CCCC2)c(c1)C#N
CC1CCCN1c1ccc(cc1C#N)-n1cc(cn1)C(O)=O
Cc1nn(cc1C(O)=O)-c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O
OC(=O)c1cnn(c1)-c1ccc(N2CCCCC2)c(c1)C#N
CCCCCCCCOc1ccc(cc1C#N)-n1cc(C(O)=O)c(n1)C(F)(F)F
Cc1nn(cc1C(O)=O)-c1ccc(OCC(C)(C)C)c(c1)C#N
OC(=O)c1cnn(c1)-c1ccc(O)c(c1)C#N
Cc1ccc2oc(nc2c1)C(\Cc1ccccc1)=N\O
O\N=C(/Cc1ccccc1)c1nc2ccccc2o1
Cc1ccc2nc(oc2c1)C(\Cc1ccccc1)=N\O
Cc1ccc2oc(nc2c1)C(\Cc1ccc(F)cc1)=N\O
C\C(=N/OC(=O)c1ccccc1)c1nc2ccccc2o1
C\C(=N/OC(=O)Cc1ccccc1)c1nc2ccccc2o1
C\C(=N/OC(=O)c1ccccc1C)c1nc2ccccc2o1
COc1ccccc1C(=O)O\N=C(/C)c1nc2ccccc2o1
C\C(=N/OC(=O)c1ccc(cc1)[N+]([O-])=O)c1nc2ccccc2o1
O\N=C(/Cc1ccccc1)c1nc2cc(Cl)ccc2o1
COc1ccc(C\C(=N/O)c2nc3ccc(OC)cc3o2)cc1
O\N=C(/Cc1ccc(F)cc1)c1nc2ccc(Cl)cc2o1
C\C(=N/OC(=O)c1ccccc1Br)c1nc2ccccc2o1
O\N=C(/Cc1ccc(F)cc1)c1nc2ccc(Br)cc2o1
COc1ccc(C\C(=N/O)c2nc3ccc(Cl)cc3o2)cc1
O\N=C(/Cc1ccccc1)c1nc2ccc(Br)cc2o1
C\C(=N/OC(=O)c1ccc(Br)cc1)c1nc2ccccc2o1
O\N=C(/Cc1ccccc1)c1nc2ccc(Cl)cc2o1
O\N=C(/Cc1ccccc1)c1nc2cc(Br)ccc2o1
Cc1ccc2nc(oc2c1)C(\Cc1ccc(F)cc1)=N\O
O\N=C(/Cc1ccc(F)cc1)c1nc2cc(Cl)ccc2o1
C\C(=N/OC(=O)CCc1ccccc1)c1nc2ccccc2o1
CC(C)COc1ccc(cc1C#N)-c1nc(cn1O)-c1cccnc1
CC(C)CCOc1ccc(cc1C#N)-n1cc(nn1)-c1ccncc1
CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccnc(C)c1
CCCCOc1ccc(cc1C#N)-n1cc(nn1)-c1ccncc1
COc1ccc(cc1C#N)-c1nc(cn1O)-c1ccncc1
Cc1cc(ccn1)-c1nnc([nH]1)-c1ccc(OCCOCCOCCCl)c(c1)C#N
Cc1cc(ccn1)-c1nnc([nH]1)-c1ccc(OCC(O)=O)c(c1)C#N
CC(C)CCOc1ccc(cc1C#N)-c1nc(cn1O)-c1cccnc1
CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1cccnc1
CC(C)CCOc1ccc(cc1C#N)-c1nc(cn1O)-c1ccncc1
On1cc(nc1-c1ccc(OCC=C)c(c1)C#N)-c1cccnc1
Cc1cc(ccn1)-c1nnc([nH]1)-c1ccc(OCC2COC(C)(C)O2)c(c1)C#N
COCCOCCOc1ccc(cc1C#N)-c1nnc([nH]1)-c1ccnc(C)c1
COCOc1ccc(cc1C#N)-c1nnc([nH]1)-c1ccnc(C)c1
COCCOc1ccc(cc1C#N)-c1nnc([nH]1)-c1ccnc(C)c1
Cc1cc(ccn1)-c1nnc([nH]1)-c1ccc(O)c(c1)C#N
CCOC(=O)c1cc(ccc1OCC(C)C)-c1nnc([nH]1)-c1ccnc(C)c1
CC(C)COc1ccc(cc1C#N)-c1nnc([nH]1)-c1ccnc(C)c1
N#Cc1cc(ccc1OC1CCCC1)-n1cc(nn1)-c1ccncc1
CC(C)Oc1ccc(cc1C#N)-n1cc(nn1)-c1ccncc1
CCCCCOc1ccc(cc1C#N)-n1cc(nn1)-c1ccncc1
CCC(C)Oc1ccc(cc1C#N)-c1nc(cn1O)-c1ccncc1
CC(C)Oc1ccc(cc1C#N)-c1nc(cn1O)-c1ccncc1
CCCCOCCOCCOc1ccc(cc1C#N)-c1nnc([nH]1)-c1ccnc(C)c1
Cc1cc(ccn1)-c1nnc([nH]1)-c1ccc(OCCO)c(c1)C#N
COc1ccc(COc2ccc(cc2C#N)-n2cc(nn2)-c2ccncc2)cc1
CCC(C)Oc1ccc(cc1C#N)-n1cc(nn1)-c1ccncc1
N#Cc1cc(ccc1OCc1ccccc1)-n1cc(nn1)-c1ccncc1
COCCOCOc1ccc(cc1C#N)-c1nnc([nH]1)-c1ccnc(C)c1
CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccnc(Cl)c1
COc1ccc(cc1)-c1oc2cc(OC)cc(O)c2c(=O)c1OC
COc1cc(cc(OC)c1OC)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC
COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)cc1
COc1cc(cc(O)c1OC)-c1oc2cc(O)cc(O)c2c(=O)c1OC
COc1cc(cc(O)c1OC)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC
COc1ccc(cc1)-c1oc2cc(OC)c(OC)c(O)c2c(=O)c1OC
COc1cc(O)c2c(c1)oc(-c1cc(O)c(OC)c(OC)c1)c(OC)c2=O
COc1c(O)cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c1O
COc1ccc(cc1)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC
CC(C)OC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Oc1ccc(cc1O)-c1cc2c(\C=C\C(=O)N3CCOCC3)ccc(O)c2o1
CCOC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
CC(C)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Oc1ccc(cc1O)-c1cc2c(\C=C\C(=O)Nc3ccc(Cl)cc3)ccc(O)c2o1
Oc1ccc(NC(=O)\C=C\c2ccc(O)c3oc(cc23)-c2ccc(O)c(O)c2)cc1
Oc1ccc(NC(=O)CCc2ccc(O)c3oc(cc23)-c2ccc(O)c(O)c2)cc1
CNC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Oc1ccc(cc1O)-c1cc2c(\C=C\C(=O)N3CCCCC3)ccc(O)c2o1
Oc1ccc(cc1O)-c1cc2c(\C=C\C(=O)Nc3ccc(Br)cc3)ccc(O)c2o1
OC(=O)CCc1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
OC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
COC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
CCCOC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
CCNC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Oc1ccc(cc1O)-c1cc2c(\C=C\C(=O)Nc3ccccc3)ccc(O)c2o1
Oc1ccc(cc1O)-c1cc2c(\C=C\C(=O)NCc3ccccc3)ccc(O)c2o1
Oc1ccc(cc1O)-c1cc2c(\C=C\C(=O)Nc3ccc(F)cc3)ccc(O)c2o1
Cc1ccc(NC(=O)\C=C\c2ccc(O)c3oc(cc23)-c2ccc(O)c(O)c2)cc1
COc1ccc(NC(=O)\C=C\c2ccc(O)c3oc(cc23)-c2ccc(O)c(O)c2)cc1
Oc1ccc(cc1O)-c1cc2c(\C=C\C(=O)NCC=C)ccc(O)c2o1
CNC(=O)CCc1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Oc1ccc(cc1O)-c1cc2c(CCC(=O)NCC=C)ccc(O)c2o1
Oc1ccc(cc1O)-c1cc2c(CCC(=O)N3CCOCC3)ccc(O)c2o1
CC(C)(C)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
COc1cc(Oc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2OC)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
COc1ccccc1\C=C\C=O
c1ccc(cc1)\C=C\C(=O)O
COc1cc(ccc1O)/C=C/C=O
OC[C@H]1O[C@@H](Oc2ccccc2CCC(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
COC(=O)CCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
COC(=O)c1cccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1 |r|
OC\C=C\c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Oc1ccccc1\C=C\C=O
OC\C=C\c1ccccc1
O[C@H]1CO[C@@H](OC[C@H]2O[C@H](OC\C=C\c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O |r|
c1ccc(c(c1)\C=C\C(=O)O)O
c1ccc(cc1)/C=C/C=O
OC(=O)Cn1ncc2c(Nc3ccc(NS(=O)(=O)c4ccc(cc4)[N+]([O-])=O)cc3)ncnc12
OC(=O)Cn1ncc2c(Nc3ccc(NC(=O)CCl)cc3)ncnc12
OC(=O)Cn1ncc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc12
CCOC(=O)Cn1ncc2c(Nc3ccc(NC(=O)CCl)cc3)ncnc12
CCOC(=O)Cn1ncc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc12
CCOC(=O)Cn1ncc2c(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)ncnc12
CCOC(=O)Cn1ncc2c(Nc3ccc(N)cc3)ncnc12
CC(=O)Nc1ccc(Nc2ncnc3n(CC(O)=O)ncc23)cc1
OC(=O)Cn1ncc2c(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)ncnc12
CCOC(=O)Cn1ncc2c(Nc3ccc(NS(=O)(=O)c4ccc(cc4)[N+]([O-])=O)cc3)ncnc12
CCOC(=O)Cn1ncc2c(Nc3ccc(NC(C)=O)cc3)ncnc12
OC(=O)Cn1ncc2c(Nc3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3)ncnc12
c1c(nc2c(n1)N=C(NC2=O)N)C=O
O=c1[nH]c2n[nH]cc2c(=O)[nH]1
COc1cc2[nH]c(=S)n(N(C)C)c(=O)c2cc1OC
CC(C)n1c(=S)[nH]c2cc3OCCOc3cc2c1=O
COc1cc2[nH]c(=S)n(N)c(=O)c2cc1OC
Nn1c(=S)[nH]c2cc(F)c(F)cc2c1=O
Fc1ccc(Nn2c(=S)[nH]c3ccc(F)cc3c2=O)cc1
CN(C)CCCn1c(=S)[nH]c2ccccc2c1=O
CN(C)CCCCCCn1c(=S)[nH]c2ccc(F)cc2c1=O
CC(C)(C)C(=O)Nn1c(=S)[nH]c2ccc(F)cc2c1=O
[O-][N+](=O)c1ccc(cc1)C(=O)Nn1c(=S)[nH]c2ccc(F)cc2c1=O
Fc1cccc(NC(=S)Nn2c(=S)[nH]c3ccc(F)cc3c2=O)c1
Fc1ccc2[nH]c(=S)n(Nc3ncc(cc3Cl)C(F)(F)F)c(=O)c2c1
Fc1ccc2[nH]c(=S)n(NC(=O)c3ccccc3)c(=O)c2c1
CN(C)CCCn1c(=S)[nH]c2cc(Cl)ccc2c1=O
COc1cc2[nH]c(=S)n(NC(=O)c3ccc(cc3)C(F)(F)F)c(=O)c2cc1OC
CN(C)CCCn1c(=S)[nH]c2ccc(Cl)cc2c1=O
CCCCOC(=O)C(=O)Nc1nc[nH]c1C(N)=O
CCCCSc1nc2nc[nH]c2c(=O)[nH]1
CCCCCOC(=O)C(=O)Nc1nc[nH]c1C(N)=O
CCCCCNc1nc2nc[nH]c2c(=O)[nH]1
CCCCCCOC(=O)C(=O)Nc1nc[nH]c1C(N)=O
CCCCNc1nc2nc[nH]c2c(=O)[nH]1
CCCCCCSc1nc2nc[nH]c2c(=O)[nH]1
CCCCCCNc1nc2nc[nH]c2c(=O)[nH]1
CCCCCSc1nc2nc[nH]c2c(=O)[nH]1
CCCCCC(=O)Nc1nc[nH]c1C(N)=O
O=c1[nH]c(=S)[nH]c2nc([nH]c12)-c1ccccc1
O=c1[nH]c2nc(SCc3ccccc3)[nH]c(=O)c2[nH]1
O=c1[nH]c2nc3SCCCn3c(=O)c2[nH]1
O=c1n2CCCSc2nc2[nH]c(=S)[nH]c12
O=c1[nH]c2nc3SCCn3c(=O)c2[nH]1
CCCCSc1nc(N)c(NC=O)c(=O)[nH]1
CCCC(=O)Nc1nc2nc[nH]c2c(=O)[nH]1
O=c1nc2[nH]c(=S)[nH]c2c2SCCCn12
O=c1n2CCSc2nc2[nH]c(=S)[nH]c12
CCCCCSc1nc(N)c(NC=O)c(=O)[nH]1
O=c1[nH]c2nc(=O)n3CCSc3c2[nH]1
CC1CSc2nc3[nH]c(=S)[nH]c3c(=O)n2C1
CCCCc1nc2n[nH]cc2c(=O)[nH]1
CCCc1nc2n[nH]cc2c(=O)[nH]1
O=c1[nH]c2nc(nc2c2SCCCn12)-c1ccccc1
O=c1[nH]c2nc(=O)n3CCCSc3c2[nH]1
CSc1nc2nc([nH]c2c(=O)[nH]1)-c1ccccc1
O=c1[nH]c2nc([nH]c(=O)c2[nH]1)S(=O)(=O)Cc1ccccc1
O=c1[nH]c2nnnc2c2SCCCn12
CCCCCCSc1nc2nc([nH]c2c(=O)[nH]1)-c1ccccc1
O=c1nc2[nH]c(=S)[nH]c2c2SCCn12
CCCCCCSc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1
CCc1nc2n[nH]cc2c(=O)[nH]1
CC1CSc2nc3[nH]c(=O)[nH]c3c(=O)n2C1
O=c1n2CCCSc2nc2[nH]c(nc12)-c1ccccc1
CCCCCCSc1nc(N)c(NC=O)c(=O)[nH]1
CCCCCc1nc2n[nH]cc2c(=O)[nH]1
CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nc(C)c(s1)C(O)=O
CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nc(cs1)C(O)=O
COc1cc(ccc1O)-c1c(O)c(=O)oc2cc(O)cc(O)c12
Cc1ccc(COc2ccc(cc2C#N)-c2nc(C)c(C(O)=O)c(=O)[nH]2)cc1
CC(C)Oc1ccc(cc1C#N)-c1ncc(C(O)=O)c(=O)[nH]1
CC(=C)COc1ccc(cc1C#N)-c1ncc(C(O)=O)c(=O)[nH]1
CC(C)=CCOc1ccc(cc1C#N)-c1ncc(C(O)=O)c(=O)[nH]1 |(24.09,-24.17,;25.43,-23.4,;25.43,-21.86,;26.76,-24.17,;28.1,-23.4,;29.43,-24.18,;30.76,-23.41,;30.76,-21.86,;32.09,-21.09,;33.43,-21.86,;33.43,-23.41,;32.1,-24.18,;32.1,-25.71,;32.1,-27.25,;34.75,-21.08,;36.09,-21.85,;37.42,-21.08,;37.42,-19.54,;38.75,-18.76,;40.08,-19.52,;38.74,-17.22,;36.07,-18.77,;36.06,-17.23,;34.75,-19.55,)|
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCc2ccc(Cl)cc2)c(c1)C#N
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCc2ccc(Br)cc2)c(c1)C#N
CC(C)(C)c1ccc(COc2ccc(cc2C#N)-c2ncc(C(O)=O)c(=O)[nH]2)cc1
CC(C)CCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)c(=O)[nH]1
CC(C)CCOc1ccc(cc1C#N)-c1ncc(C(O)=O)c(=N)[nH]1
OC(=O)c1cnc([nH]c1=N)-c1ccc(OCc2ccc(Br)cc2)c(c1)C#N
Cc1ccc(COc2ccc(cc2C#N)-c2ncc(C(O)=O)c(=N)[nH]2)cc1
CC(C)COc1ccc(cc1C#N)-c1ncc(C(O)=O)c(=O)[nH]1
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCc2ccccc2)c(c1)C#N
CC(=C)COc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)c(=O)[nH]1
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCC=C)c(c1)C#N
CC(C)CCOc1ccc(cc1C#N)-c1ncc(C(O)=O)c(=O)[nH]1
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCc2ccc(F)cc2)c(c1)C#N
Cc1ccc(COc2ccc(cc2C#N)-c2ncc(C(O)=O)c(=O)[nH]2)cc1
CC(=C)COc1ccc(cc1C#N)-c1ncc(C(O)=O)c(=N)[nH]1
Cc1nc([nH]c(=O)c1C(O)=O)-c1ccc(OCc2ccc(Br)cc2)c(c1)C#N
CC(C)CCOc1ccc(cc1C#N)-c1cc(C(=O)NN)c(=O)[nH]n1
CC(C)COc1ccc(cc1[N+]([O-])=O)-c1cc(C(=O)NN)c(=O)[nH]n1
CC(C)Oc1ccc(cc1[N+]([O-])=O)-c1cc(C(=O)NN)c(=O)[nH]n1
CCCCOc1ccc(cc1C#N)-c1cc(C(=O)NN)c(=O)[nH]n1
CCCOc1ccc(cc1C#N)-c1cc(C(=O)NN)c(=O)[nH]n1
CC(C)COc1ccc(cc1C#N)-c1cc(C(=O)NN)c(=O)[nH]n1
CC(C)Oc1ccc(cc1C#N)-c1cc(C(=O)NN)c(=O)[nH]n1
CC(C)CCOc1ccc(cc1[N+]([O-])=O)-c1cc(C(=O)NN)c(=O)[nH]n1
CCCCCOc1ccc(cc1C#N)-c1cc(C(=O)NN)c(=O)[nH]n1
CCOc1ccc(cc1C#N)-c1cc(C(=O)NN)c(=O)[nH]n1
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCc2ccccc2Cl)c(c1)-n1ccnn1
CC(C)Oc1ccc(cc1-n1ccnn1)-c1ncc(C(O)=O)c(=O)[nH]1
Cc1ccc(COc2ccc(cc2-n2ccnn2)-c2ncc(C(O)=O)c(=O)[nH]2)cc1
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCC2CCCCC2)c(c1)-n1ccnn1
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCc2ccc(Br)cc2)c(c1)-n1ccnn1
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCc2ccc(Cl)cc2Cl)c(c1)-n1ccnn1
COc1ccc(cc1-n1ccnn1)-c1ncc(C(O)=O)c(=O)[nH]1
CC(C)COc1ccc(cc1-n1ccnn1)-c1ncc(C(O)=O)c(=O)[nH]1
CC(=C)COc1ccc(cc1-n1ccnn1)-c1ncc(C(O)=O)c(=O)[nH]1
CC(C)=CCOc1ccc(cc1-n1ccnn1)-c1ncc(C(O)=O)c(=O)[nH]1 |(40.07,-9.38,;41.4,-8.61,;41.4,-7.07,;42.74,-9.38,;44.07,-8.61,;45.4,-9.38,;46.74,-8.61,;46.74,-7.07,;48.07,-6.3,;49.4,-7.06,;49.41,-8.61,;48.07,-9.38,;48.07,-10.92,;46.83,-11.83,;47.31,-13.29,;48.85,-13.29,;49.33,-11.83,;50.73,-6.29,;52.07,-7.06,;53.39,-6.29,;53.39,-4.75,;54.73,-3.97,;56.06,-4.74,;54.73,-2.43,;52.06,-3.98,;52.06,-2.44,;50.72,-4.75,)|
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCC2CC2)c(c1)-n1ccnn1
OC(=O)c1cnc([nH]c1=O)-c1ccc(OC2CCCC2)c(c1)-n1ccnn1
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCc2ccccc2)c(c1)-n1ccnn1
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCc2ccc(F)cc2)c(c1)-n1ccnn1
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCc2ccc(Cl)cc2)c(c1)-n1ccnn1
COc1cccc(COc2ccc(cc2-n2ccnn2)-c2ncc(C(O)=O)c(=O)[nH]2)c1
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCc2cccc(Cl)c2)c(c1)-n1ccnn1
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCc2cccc(Br)c2)c(c1)-n1ccnn1
OC(=O)c1cnc([nH]c1=O)-c1ccc(O)c(c1)-n1ccnn1
COc1ccc(COc2ccc(cc2-n2ccnn2)-c2ncc(C(O)=O)c(=O)[nH]2)cc1
CC(C)CCOc1ccc(cc1-n1ccnn1)-c1ncc(C(O)=O)c(=O)[nH]1
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCC=C)c(c1)-n1ccnn1
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCC#C)c(c1)-n1ccnn1
CC(C)(C)c1ccc(COc2ccc(cc2-n2ccnn2)-c2ncc(C(O)=O)c(=O)[nH]2)cc1
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCc2cccc(F)c2)c(c1)-n1ccnn1
OC(=O)c1cnc([nH]c1=O)-c1ccc(OCc2c(Cl)cccc2Cl)c(c1)-n1ccnn1
O=C(Nc1ccc(OCc2ccccc2C#N)c(c1)-n1cnnn1)c1ccncc1
CCC(C)COc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
O=C(Nc1ccncc1)c1ccc(OCc2ccccc2)c(c1)-n1cnnn1
CCCCCCOc1ccc(cc1-n1cnnn1)C(=O)Nc1ccncc1
CCCCCOc1ccc(cc1-n1cnnn1)C(=O)Nc1ccncc1
O=C(Nc1ccc(OCc2ccc(cc2)C#N)c(c1)-n1cnnn1)c1ccncc1
COc1ccc(COc2ccc(NC(=O)c3ccncc3)cc2-n2cnnn2)cc1
COc1cccc(COc2ccc(NC(=O)c3ccncc3)cc2-n2cnnn2)c1
COc1ccccc1COc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
O=C(Nc1ccc(OCc2ccccc2)c(c1)-n1cnnn1)c1ccncc1
CCCCCCCCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
CCCCCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
CCC(C)Oc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
CCCCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
CC(C)Oc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
O=C(Nc1ccc(OC2CCCC2)c(c1)-n1cnnn1)c1ccncc1
CC(=O)Oc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
CC(C)CCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
Cc1ccccc1COc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
Cc1ccc(COc2ccc(NC(=O)c3ccncc3)cc2-n2cnnn2)cc1
CC(C)COc1ccc(cc1-n1cnnn1)C(=O)Nc1ccncc1
O=C(Nc1ccc(OCc2cccc(c2)C#N)c(c1)-n1cnnn1)c1ccncc1
Cc1cccc(COc2ccc(NC(=O)c3ccncc3)cc2-n2cnnn2)c1
CCCCCCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
CC(C)COc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
C\C(=N/OC(=O)c1ccccc1)c1nc2ccccc2[nH]1
C\C(=N/OC(=O)CCl)c1nc2ccccc2[nH]1
C\C(=N/OC(=O)Cc1ccccc1)c1nc2ccccc2[nH]1
COc1ccc(cc1)C(=O)O\N=C(/C)c1nc2ccccc2[nH]1
C\C(=N/NS(=O)(=O)c1ccc(C)cc1)c1nc2ccccc2o1
COc1ccc(cc1)S(=O)(=O)N\N=C(/C)c1nc2ccccc2o1
C\C(=N/NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)c1nc2ccccc2o1
C\C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1nc2ccccc2o1
C\C(=N/NS(=O)(=O)c1ccccc1)c1nc2ccccc2o1
CCCS(=O)(=O)N\N=C(/C)c1nc2ccccc2o1
CCCCS(=O)(=O)N\N=C(/C)c1nc2ccccc2o1
C\C(=N/NS(=O)(=O)c1cccc(c1)[N+]([O-])=O)c1nc2ccccc2o1
C\C(=N/NS(=O)(=O)c1ccc(C)cc1)c1nc2ccccc2[nH]1
COc1ccc(cc1)S(=O)(=O)N\N=C(/C)c1nc2ccccc2[nH]1
C\C(=N/NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)c1nc2ccccc2[nH]1
C\C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1nc2ccccc2[nH]1
CCCS(=O)(=O)N\N=C(/C)c1nc2ccccc2[nH]1
C\C(=N/NS(=O)(=O)c1ccccc1)c1nc2ccccc2[nH]1
COc1ccc(cc1C#N)-n1cc(cn1)C(O)=O
OC(=O)c1cnn(c1)-c1cccc(c1)C#N
OC(=O)COc1ccc(cc1C#N)-n1cc(cn1)C(O)=O
CN(C)CCOc1ccc(cc1C#N)-n1cc(cn1)C(O)=O
CC(C)COc1ccc(cc1)-n1cc(cn1)C(O)=O
CC(C)CN(C)c1ccc(cc1C#N)-n1cnc(c1)C(O)=O
OC(=O)c1cn(cn1)-c1ccc(N2CCCC2)c(c1)C#N
OC(=O)c1cn(cn1)-c1ccc(N2CCCCC2)c(c1)C#N
CC1CCN(CC1)c1ccc(cc1C#N)-n1cnc(c1)C(O)=O
OC(=O)c1cn(cn1)-c1ccc(N2CCCCCCC2)c(c1)C#N
CCOc1ccc(cc1C#N)-n1cnc(c1)C(O)=O
CC(C)Oc1ccc(cc1C#N)-n1cnc(c1)C(O)=O
CC(C)COc1ccc(cc1C#N)-n1cnc(c1)C(O)=O
CCC(C)Oc1ccc(cc1C#N)-n1cnc(c1)C(O)=O
CC(C)(C)COc1ccc(cc1C#N)-n1cnc(c1)C(O)=O
CCC(CC)Oc1ccc(cc1C#N)-n1cnc(c1)C(O)=O
CCC(CC)COc1ccc(cc1C#N)-n1cnc(c1)C(O)=O
OC(=O)c1cn(cn1)-c1ccc(OC2CCCC2)c(c1)C#N
OC(=O)c1cn(cn1)-c1ccc(OC2CCCCC2)c(c1)C#N
CCOc1ccc(cc1C#N)-c1c[nH]c(n1)C(O)=O
CC(C)Oc1ccc(cc1C#N)-c1c[nH]c(n1)C(O)=O
CC(C)COc1ccc(cc1C#N)-c1c[nH]c(n1)C(O)=O
OC(=O)c1nc(c[nH]1)-c1ccc(OCC2CCCC2)c(c1)C#N
CC(C)COc1ccc(cc1C#N)-c1cn(C)c(n1)C(O)=O
CC(C)(C)c1ccc(cc1)-c1ccc(cc1C#N)-n1cnc(c1)C(O)=O
COc1ccc(cc1)-c1ccc(cc1C#N)-n1cnc(c1)C(O)=O
COc1cccc(c1)-c1ccc(cc1C#N)-n1cnc(c1)C(O)=O
O=c1[nH]c(no1)-c1ccc2[nH]cc(C#N)c2c1
Cn1cc(C#N)c2cc(ccc12)-c1noc(=O)[nH]1
CC(C)n1cc(C#N)c2cc(ccc12)-c1noc(=O)[nH]1
CC(C)Cn1cc(C#N)c2cc(ccc12)-c1noc(=O)[nH]1
CC(C)CCn1cc(C#N)c2cc(ccc12)-c1noc(=O)[nH]1
CC(C)=CCn1cc(C#N)c2cc(ccc12)-c1noc(=O)[nH]1 |(9.82,-20.7,;10.83,-19.56,;12.35,-19.88,;10.36,-18.1,;11.39,-16.95,;10.91,-15.49,;11.82,-14.23,;10.91,-12.98,;11.39,-11.51,;11.87,-10.05,;9.44,-13.46,;8.1,-12.69,;6.77,-13.46,;6.77,-15.01,;8.1,-15.78,;9.44,-15.01,;5.44,-12.69,;5.28,-11.15,;3.78,-10.83,;3.01,-12.17,;1.48,-12.33,;4.04,-13.31,)|
O=c1[nH]c(no1)-c1ccc2n(CC3CC3)cc(C#N)c2c1
O=c1[nH]c(no1)-c1ccc2n(cc(C#N)c2c1)C1CCCC1
O=c1[nH]c(no1)-c1ccc2n(CC3CCCCC3)cc(C#N)c2c1
O=c1[nH]c(no1)-c1ccc2n(Cc3ccccc3)cc(C#N)c2c1
Fc1ccc(Cn2cc(C#N)c3cc(ccc23)-c2noc(=O)[nH]2)cc1
Clc1ccc(Cn2cc(C#N)c3cc(ccc23)-c2noc(=O)[nH]2)cc1
Brc1ccc(Cn2cc(C#N)c3cc(ccc23)-c2noc(=O)[nH]2)cc1
Cc1ccc(Cn2cc(C#N)c3cc(ccc23)-c2noc(=O)[nH]2)cc1
COc1ccc(Cn2cc(C#N)c3cc(ccc23)-c2noc(=O)[nH]2)cc1
CC(C)(C)c1ccc(Cn2cc(C#N)c3cc(ccc23)-c2noc(=O)[nH]2)cc1
Fc1cccc(Cn2cc(C#N)c3cc(ccc23)-c2noc(=O)[nH]2)c1
Clc1cccc(Cn2cc(C#N)c3cc(ccc23)-c2noc(=O)[nH]2)c1
Brc1cccc(Cn2cc(C#N)c3cc(ccc23)-c2noc(=O)[nH]2)c1
Cc1cccc(Cn2cc(C#N)c3cc(ccc23)-c2noc(=O)[nH]2)c1
COc1cccc(Cn2cc(C#N)c3cc(ccc23)-c2noc(=O)[nH]2)c1
CC(C)n1cc(C#N)c2ccc(cc12)-c1noc(=O)[nH]1
CC(C)CCn1cc(C#N)c2ccc(cc12)-c1noc(=O)[nH]1
O=c1[nH]c(no1)-c1ccc2c(cn(C3CCCC3)c2c1)C#N
Cc1ccc(Cn2cc(C#N)c3ccc(cc23)-c2noc(=O)[nH]2)cc1
CC(C)COc1ccc(cc1C#N)-c1nc(N)cc(O)n1
Nc1cc(O)nc(n1)-c1ccc(OCC2CCCCC2)c(c1)C#N
Nc1cc(O)nc(n1)-c1ccc(OCc2ccccc2)c(c1)C#N
CC(C)COc1ccc(cc1C#N)-c1nccc(O)n1
Oc1ccnc(n1)-c1ccc(OCC2CCCCC2)c(c1)C#N
Oc1ccnc(n1)-c1ccc(OCc2ccccc2)c(c1)C#N
CC(C)COc1ccc(cc1C#N)-c1nccc(N)n1
Nc1ccnc(n1)-c1ccc(OCC2CCCCC2)c(c1)C#N
Nc1ccnc(n1)-c1ccc(OCc2ccccc2)c(c1)C#N
CC(C)COc1ccc(cc1C#N)-c1ncccn1
N#Cc1cc(ccc1OCC1CCCCC1)-c1ncccn1
N#Cc1cc(ccc1OCc1ccccc1)-c1ncccn1
COc1ccc(cc1C#N)-c1nccc(O)n1
CC(C)Oc1ccc(cc1C#N)-c1nccc(O)n1
CC(C)CCOc1ccc(cc1C#N)-c1nccc(O)n1
Oc1ccnc(n1)-c1ccc(OCC2CC2)c(c1)C#N
Oc1ccnc(n1)-c1ccc(OCc2ccc(F)cc2)c(c1)C#N
Oc1ccnc(n1)-c1ccc(OCc2cccc(F)c2)c(c1)C#N
Oc1ccnc(n1)-c1ccc(OCc2ccccc2F)c(c1)C#N
Oc1ccnc(n1)-c1ccc(OCc2ccc(Cl)cc2)c(c1)C#N
Oc1ccnc(n1)-c1ccc(OCc2ccc(Br)cc2)c(c1)C#N
COc1ccc(COc2ccc(cc2C#N)-c2nccc(O)n2)cc1
Cc1ccc(COc2ccc(cc2C#N)-c2nccc(O)n2)cc1
CC(C)(C)c1ccc(COc2ccc(cc2C#N)-c2nccc(O)n2)cc1
[#6]\[#6](-[#6])=[#6]\[#8]-c1ccc(cc1C#N)-c1nccc(-[#8])n1
[H][C@]12CCN(C\C1=C\C)Cc1c([nH]c3ccccc13)C2=C |r|
[H][C@]12CCN(C\C1=C/C)Cc1c([nH]c3ccccc13)[C@@]2(CO)C(=O)OC |r|
[H][C@]12CC=C(CO)[C@@]1([H])[C@H](O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC |r,c:26,t:3|
C1C=C([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO
[H][C@]12CC3OC3(CO)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC |r,c:28|
[H][C@]12CC=C(CO)[C@@]1([H])C(O)OC=C2C(=O)OC |r,c:13,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(O)=O |r,c:41,t:3|
[H][C@]12CC=C(COC(=O)CC)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(=O)CC)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]1OC(=O)CC)OC=C2C(O)=O |r,c:46,t:3|
[H][C@]12CC=C(COC(=O)CCC)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC)OC=C2C(O)=O |r,c:51,t:3|
[H][C@]12CC=C(COC(=O)CC(C)C)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C)OC=C2C(O)=O |r,c:56,t:3|
[H][C@]12CC=C(COC(=O)C(C)(C)C)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)OC=C2C(O)=O |r,c:56,t:3|
[H][C@]12CC=C(COC(=O)NCC)[C@@]1([H])C(OC(=O)NCC)OC=C2C(=O)OC |r,c:23,t:3|
[H][C@]12CC=C(COC(=O)NC(C)C)[C@@]1([H])C(OC(=O)NC(C)C)OC=C2C(=O)OC |r,c:25,t:3|
[H][C@]12CC=C(COC(=O)NC(C)(C)C)[C@@]1([H])C(OC(=O)NC(C)(C)C)OC=C2C(=O)OC |r,c:27,t:3|
[H][C@]12CC=C(COC(=O)NCCCCl)[C@@]1([H])C(OC(=O)NCCCCl)OC=C2C(=O)OC |r,c:27,t:3|
[H][C@]12CC=C(COC(=O)Nc3ccccc3Br)[C@@]1([H])C(OC(=O)Nc1ccccc1Br)OC=C2C(=O)OC |r,c:35,t:3|
[H][C@]12CC=C(COC(=O)NC3CCCCC3)[C@@]1([H])C(OC(=O)NC1CCCCC1)OC=C2C(=O)OC |r,c:33,t:3|
[H][C@]12CC=C(COC(=O)Nc3ccc(C)cc3)[C@@]1([H])C(OC(=O)Nc1ccc(C)cc1)OC=C2C(=O)OC |r,c:35,t:3|
[H][C@]12CC=C(COC(=O)Nc3cccc(C)c3)[C@@]1([H])C(OC(=O)Nc1cccc(C)c1)OC=C2C(=O)OC |r,c:35,t:3|
[H][C@]12CC=C(COC(=O)Nc3ccc(OC)cc3)[C@@]1([H])C(OC(=O)Nc1ccc(OC)cc1)OC=C2C(=O)OC |r,c:37,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)SCc1ccccc1 |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Sc1cccs1 |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Sc1ncc[nH]1 |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)SC1=NCCS1 |r,c:41,t:3,47|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Sc1ccncc1 |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Oc1cccc(c1)C#N |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Oc1ccncc1 |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Oc1cncc2ccccc12 |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)On1cccn1 |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nn1cccc1 |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nn1ncc2ccccc12 |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1ncco1 |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1ccccc1-c1ccccc1 |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1cccc2[nH]ccc12 |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)NCCC#N |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1ccc(Br)c2ccccc12 |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1ccc(cc1)C(O)=O |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1cccc(F)c1 |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1ccc(cc1)C#N |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)NCc1ccncc1 |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1nn[nH]n1 |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1cncc2ccccc12 |r,c:41,t:3|
[H][C@]12CC=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC=C2C(=O)Nc1ccc(cc1)C(=O)NCC(O)=O |r,c:41,t:3|
CCCCn1cc(COc2ccccc2C=O)nn1
CC(C)Cn1cc(COc2ccccc2C=O)nn1
CCC(C)n1cc(COc2ccccc2C=O)nn1
CCCCCn1cc(COc2ccccc2C=O)nn1
CC(C)CCn1cc(COc2ccccc2C=O)nn1
O=Cc1ccccc1OCc1cn(Cc2ccccc2C#N)nn1
O=Cc1ccccc1OCc1cn(Cc2cccc(c2)C#N)nn1
COc1ccccc1Cn1cc(COc2ccccc2C=O)nn1
COc1cccc(Cn2cc(COc3ccccc3C=O)nn2)c1
Cc1ccccc1Cn1cc(COc2ccccc2C=O)nn1
Cc1cccc(Cn2cc(COc3ccccc3C=O)nn2)c1
CCCCn1cc(COc2cc(F)ccc2C=O)nn1
CCn1cc(COc2ccc(F)cc2C=O)nn1
CCCn1cc(COc2ccc(F)cc2C=O)nn1
CC(C)n1cc(COc2ccc(F)cc2C=O)nn1
CCCCn1cc(COc2ccc(F)cc2C=O)nn1
CC(C)Cn1cc(COc2ccc(F)cc2C=O)nn1
CCC(C)n1cc(COc2ccc(F)cc2C=O)nn1
CCCCCn1cc(COc2ccc(F)cc2C=O)nn1
CC(C)CCn1cc(COc2ccc(F)cc2C=O)nn1
Fc1ccc(OCc2cn(Cc3ccccc3)nn2)c(C=O)c1
Fc1ccc(OCc2cn(Cc3ccccc3C#N)nn2)c(C=O)c1
Fc1ccc(OCc2cn(Cc3cccc(c3)C#N)nn2)c(C=O)c1
COc1ccccc1Cn1cc(COc2ccc(F)cc2C=O)nn1
COc1cccc(Cn2cc(COc3ccc(F)cc3C=O)nn2)c1
Cc1ccccc1Cn1cc(COc2ccc(F)cc2C=O)nn1
Cc1cccc(Cn2cc(COc3ccc(F)cc3C=O)nn2)c1
COc1ccccc1Cn1cc(COc2cc(F)ccc2C=O)nn1
O=Cc1ccccc1OCc1cn(Cc2ccccc2)nn1
CC(C)CCn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc12
CC(C)Cn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc12
CC(C)n1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc12
Cn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc12
O=C(Nc1ccc2[nH]cc(C#N)c2c1)c1cc(=O)[nH]cn1
O=C(Nc1ccc2n(CC3CC3)cc(C#N)c2c1)c1cc(=O)[nH]cn1
O=C(Nc1ccc2n(cc(C#N)c2c1)C1CCCC1)c1cc(=O)[nH]cn1
O=C(Nc1ccc2n(CC3CCCCC3)cc(C#N)c2c1)c1cc(=O)[nH]cn1
CC(C)(O)Cn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc12
C=CCn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc12
CC(C)=CCn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc12 |(7.28,-4.85,;5.79,-4.45,;4.71,-5.54,;5.4,-2.96,;3.91,-2.57,;3.51,-1.08,;4.43,.17,;3.55,1.39,;3.95,2.88,;4.35,4.36,;2.05,.92,;.72,1.69,;-.61,.92,;-1.95,1.69,;-3.28,.92,;-3.28,-.62,;-4.61,1.69,;-4.61,3.23,;-5.95,4,;-5.95,5.54,;-7.28,3.23,;-7.28,1.69,;-5.95,.92,;-.61,-.63,;.72,-1.39,;2.05,-.62,)|
O=C(Nc1ccc2n(CC#C)cc(C#N)c2c1)c1cc(=O)[nH]cn1
O=C(Nc1ccc2n(Cc3ccccc3)cc(C#N)c2c1)c1cc(=O)[nH]cn1
Fc1ccccc1Cn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc12
Clc1ccccc1Cn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc12
Fc1cccc(Cn2cc(C#N)c3cc(NC(=O)c4cc(=O)[nH]cn4)ccc23)c1
Clc1cccc(Cn2cc(C#N)c3cc(NC(=O)c4cc(=O)[nH]cn4)ccc23)c1
Clc1ccc(Cn2cc(C#N)c3cc(NC(=O)c4cc(=O)[nH]cn4)ccc23)cc1
Brc1ccc(Cn2cc(C#N)c3cc(NC(=O)c4cc(=O)[nH]cn4)ccc23)cc1
Cc1ccc(Cn2cc(C#N)c3cc(NC(=O)c4cc(=O)[nH]cn4)ccc23)cc1
COc1ccc(Cn2cc(C#N)c3cc(NC(=O)c4cc(=O)[nH]cn4)ccc23)cc1
CC(C)(C)c1ccc(Cn2cc(C#N)c3cc(NC(=O)c4cc(=O)[nH]cn4)ccc23)cc1
CC(C)n1cc(C#N)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12
CC(C)Cn1cc(C#N)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12
O=C(Nc1ccc2c(cn(CC3CC3)c2c1)C#N)c1cc(=O)[nH]cn1
O=C(Nc1ccc2c(cn(C3CCCC3)c2c1)C#N)c1cc(=O)[nH]cn1
C=CCn1cc(C#N)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12
CC(C)=CCn1cc(C#N)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12 |(7.95,-4.26,;6.46,-3.86,;5.37,-4.95,;6.06,-2.38,;4.58,-1.98,;4.18,-.49,;5.09,.76,;4.22,1.98,;4.61,3.46,;5.01,4.95,;2.72,1.51,;1.39,2.28,;.05,1.51,;.05,-.04,;-1.28,-.81,;-2.61,-.04,;-2.61,1.5,;-3.95,-.81,;-5.28,-.04,;-6.61,-.81,;-7.95,-.04,;-6.61,-2.35,;-5.28,-3.12,;-3.95,-2.35,;1.39,-.8,;2.72,-.03,)|
Cc1nc(cc(=O)[nH]1)C(=O)Nc1ccc2c(cn(C3CCCC3)c2c1)C#N
COc1ccnc(n1)-c1ccc2n(cc(C#N)c2c1)C(C)C
CC(C)n1cc(C#N)c2cc(ccc12)-c1nccc(O)n1
CC(C)Cn1cc(C#N)c2cc(ccc12)-c1nccc(O)n1
CC(C)CCn1cc(C#N)c2cc(ccc12)-c1nccc(O)n1
Oc1ccnc(n1)-c1ccc2n(CC3CC3)cc(C#N)c2c1
Oc1ccnc(n1)-c1ccc2n(cc(C#N)c2c1)C1CCCC1
NC1=NC(=O)\C(S1)=C\c1cccc(OCc2ccc(cc2)[N+]([O-])=O)c1 |t:1|
NC1=NC(=O)\C(S1)=C\c1ccc(Br)c(c1)[N+]([O-])=O |t:1|
NC1=NC(=O)\C(S1)=C\c1cccc(F)c1 |t:1|
COc1ccc(\C=C2/SC(N)=NC2=O)cc1OCc1ccc(Cl)cc1 |c:10|
NC1=NC(=O)\C(S1)=C/c1ccc(Oc2ccccc2)cc1 |t:1|
NC1=NC(=O)\C(S1)=C/c1ccc(OC(=O)c2ccc(cc2)[N+]([O-])=O)cc1 |t:1|
CC(C)Oc1ccc(cc1C#N)-c1ncc(cn1)C(O)=O
CC(C)COc1ccc(cc1C#N)-c1ncc(cn1)C(O)=O
CC(C)CCOc1ccc(cc1C#N)-c1ncc(cn1)C(O)=O
OC(=O)c1cnc(nc1)-c1ccc(OCC2CCCCC2)c(c1)C#N
OC(=O)c1cnc(nc1)-c1ccc(OCc2ccccc2)c(c1)C#N
OC(=O)c1cnc(nc1)-c1ccc(OCc2ccc(F)cc2)c(c1)C#N
OC(=O)c1cnc(nc1)-c1ccc(OCc2ccc(Cl)cc2)c(c1)C#N
OC(=O)c1cnc(nc1)-c1ccc(OCc2ccc(Br)cc2)c(c1)C#N
Cc1ccc(COc2ccc(cc2C#N)-c2ncc(cn2)C(O)=O)cc1
CC(C)(C)c1ccc(COc2ccc(cc2C#N)-c2ncc(cn2)C(O)=O)cc1
COCOc1ccc(cc1C#N)-c1ncc(cn1)C(O)=O
OC(=O)c1cnc(nc1)-c1ccc(OCC2CCOCC2)c(c1)C#N
OC(=O)c1cnc(nc1)-c1ccc(OCc2ccncc2)c(c1)C#N
OC(=O)c1cnc(nc1)-c1ccc(O)c(c1)C#N
CC(C)Oc1ccc(cc1C#N)-c1nccc(n1)C(O)=O
CC(C)COc1ccc(cc1C#N)-c1nccc(n1)C(O)=O
CC(C)CCOc1ccc(cc1C#N)-c1nccc(n1)C(O)=O
OC(=O)c1ccnc(n1)-c1ccc(OCC2CCCCC2)c(c1)C#N
OC(=O)c1ccnc(n1)-c1ccc(OCc2ccccc2)c(c1)C#N
OC(=O)c1ccnc(n1)-c1ccc(OCc2ccc(F)cc2)c(c1)C#N
OC(=O)c1ccnc(n1)-c1ccc(OCc2ccc(Cl)cc2)c(c1)C#N
OC(=O)c1ccnc(n1)-c1ccc(OCc2ccc(Br)cc2)c(c1)C#N
Cc1ccc(COc2ccc(cc2C#N)-c2nccc(n2)C(O)=O)cc1
CC(C)(C)c1ccc(COc2ccc(cc2C#N)-c2nccc(n2)C(O)=O)cc1
CC(C)Oc1ccc(cc1C#N)-c1ncc2c(n1)[nH][nH]c2=O
CC(C)COc1ccc(cc1C#N)-c1ncc2c(n1)[nH][nH]c2=O
CC(C)CCOc1ccc(cc1C#N)-c1ncc2c(n1)[nH][nH]c2=O
O=c1[nH][nH]c2nc(ncc12)-c1ccc(OCC2CCCCC2)c(c1)C#N
O=c1[nH][nH]c2nc(ncc12)-c1ccc(OCc2ccccc2)c(c1)C#N
Fc1ccc(COc2ccc(cc2C#N)-c2ncc3c(n2)[nH][nH]c3=O)cc1
Clc1ccc(COc2ccc(cc2C#N)-c2ncc3c(n2)[nH][nH]c3=O)cc1
Brc1ccc(COc2ccc(cc2C#N)-c2ncc3c(n2)[nH][nH]c3=O)cc1
Cc1ccc(COc2ccc(cc2C#N)-c2ncc3c(n2)[nH][nH]c3=O)cc1
CC(C)(C)c1ccc(COc2ccc(cc2C#N)-c2ncc3c(n2)[nH][nH]c3=O)cc1
c1cc2c(cc1O)OC(=O)C=C2
Oc1ccc2ccc(=O)oc2c1O
c1ccc2c(c1)C(=CC(=O)O2)O
Cc1cc(=O)oc2cc(O)c(O)cc12
c1c2c(cc(c1O)O)OC(=O)C=C2
COc1cc2oc(=O)ccc2cc1O
c1ccc2c(c1)C=C(C(=O)O2)O
Cc1cc2nc[nH]c2cc1C
CNc1nc(Cl)nc2nc[nH]c12
Nc1ncc2[nH]cnc2n1
c1c2c(ncnc2n[nH]1)N
Nc1nc(Cl)c2[nH]cnc2n1
COc1nc(N)nc2nc[nH]c12
Nc1nc2nc[nH]c2c(=S)[nH]1
Cc1ccc2nc[nH]c2c1
Nc1nc(N)c2[nH]cnc2n1
Cn1c(=O)[nH]c2nc[nH]c2c1=O
[O-][N+](=O)c1ccc2nc[nH]c2c1
CC(C)(C)c1ccc(cc1)-c1ccc(cc1)-c1nnn[nH]1
COc1ccc(cc1)-c1ccc(cc1)-c1nnn[nH]1
COc1cccc(c1)-c1ccc(cc1)-c1nnn[nH]1
COc1ccccc1-c1ccc(cc1)-c1nnn[nH]1
CCOc1ccc(cc1)-c1ccc(cc1)-c1nnn[nH]1
O=Cc1ccccc1-c1ccc(cc1)-c1nnn[nH]1
CC(=O)c1ccc(cc1)-c1ccc(cc1)-c1nnn[nH]1
Clc1ccc(c(C=O)c1)-c1ccc(cc1)-c1nnn[nH]1
OC(=O)c1cc(ccc1Cl)-c1ccc(cc1)-c1nnn[nH]1
OC(=O)c1ccc(cc1Cl)-c1ccc(cc1)-c1nnn[nH]1
c1ncc(cn1)-c1ccc(cc1)-c1nnn[nH]1
Clc1ccc(NC(=O)c2ccc(cc2)-c2nnn[nH]2)cc1
COc1ccc(NC(=O)c2ccc(cc2)-c2nnn[nH]2)cc1
CCOc1ccc(NC(=O)c2ccc(cc2)-c2nnn[nH]2)cc1
CCCOc1ccc(NC(=O)c2ccc(cc2)-c2nnn[nH]2)cc1
CC(C)Oc1ccc(NC(=O)c2ccc(cc2)-c2nnn[nH]2)cc1
CCOc1ccc(CNC(=O)c2ccc(cc2)-c2nnn[nH]2)cc1
[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/c2ccc(Cl)cc2Cl)-[#6]-1=O
[O-][N+](=O)c1ccc(cc1)-c1nnn[nH]1
CC(C)COc1ccc(cc1-n1cnnn1)-c1nc(C)c(s1)C(O)=O
Cc1nc(sc1C(O)=O)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1
CCCCCCCNc1ccc(cc1C#N)-c1cc(ccn1)C(O)=O
CC(CO)n1cc(C#N)c2cc(ccc12)-c1nc(C)c(s1)C(O)=O
Cc1nc(sc1C(O)=O)-c1cc(C#N)c2[nH]c(cc2c1)-c1ccccc1
COCCOCCn1cc(C#N)c2cc(ccc12)-c1nc(C)c(s1)C(O)=O
CCn1cc(C)c2cc(cc(C#N)c12)-c1nc(C)c(s1)C(O)=O
CCCn1cc(C)c2cc(cc(C#N)c12)-c1nc(C)c(s1)C(O)=O
Cc1nc(sc1C(O)=O)-c1cc(C#N)c2n(C)ccc2c1
CCn1ncc2c(NN)ncnc12
CSc1nc(O)c(C(=O)Nc2ccc(cn2)-c2cnn[nH]2)c(=O)[nH]1
OC(=O)c1cnc(nc1)-c1ccc(OCc2cccc(C#N)c2Cl)cc1
CC(C)Oc1ccc(cc1C#N)-c1ncc(C(O)=O)c(C)n1
Cc1ccc(COc2ccc(cc2C#N)-c2ncc(C(O)=O)c(C)n2)cc1
[O-][N+](=O)c1cc(C=O)ccc1C1Nc2ccccc2-c2cc(nn12)-c1ccccc1
OC(=O)c1ccc(cc1O)-c1sc(C#N)c2CCCCc12
OC(=O)c1ccc(cc1O)-c1sc(C#N)c2CCC(F)(F)Cc12
OC(=O)c1ccc(cc1O)-c1sc(C#N)c2CCCc12
OC(=O)c1ccc(cc1O)-c1sc(C#N)c2OCCOc12
OC(=O)c1ccc(cc1O)-c1sc(C#N)c2OCCc12
CC(C)CCOc1ccc(cc1C#N)-n1nc(C)c(n1)C(O)=O
O=c1[nH]c(no1)-c1ccc(OCC2CCCCC2)c(c1)-n1cnnn1
COc1ccc(cc1)-c1cc2cc(ccc2oc1=O)[N+]([O-])=O
Oc1cccc(c1)-c1cc2c(O)cc(O)cc2oc1=O
Oc1ccc(\C=N\NC(=S)Nc2ccccc2)cc1
N#Cc1cc(ccc1OC1CCCC1)C1C=C(N=N1)c1ccncc1 |c:17,19|
OC(=O)C(Cc1ccccc1)NC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
COc1cc(OC)c(C(=O)\C=C\c2ccccc2F)c(O)c1C(=O)\C=C\c1ccccc1F
Oc1ccc(C(=O)\C=C\c2cc(O)cc(O)c2)c(O)c1
[O-][N+](=O)c1ccc(CSc2nnc(o2)-c2cc(nn2Cc2ccccc2)-c2ccccc2)cc1
Nn1c(S)nnc1-c1cc(nn1Cc1ccccc1)-c1ccccc1
Oc1cc(C=O)cc(c1O)[N+]([O-])=O
COC(=O)[C@@H]1C[C@@H](O)[C@@H](C[C@@H]1C(=O)OC)n1cc(nn1)-c1ccccc1 |r|
Cc1cc(C)c(C[n+]2cn(CCO)c3ccccc23)c(C)c1
COc1ccc(cc1O)[C@@H]1C\C(=N/c2ccc(cc2Cl)[N+]([O-])=O)C2C(O1)C=C(O[C@H]1C[C@@H](OC3O[C@H](C)[C@@H](O)[C@H](O)C3O)[C@H](O)[C@@H](O)[C@@H]1O)C=C2O |r,c:54,t:29|
OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O
ON1C=NC=C2N=C(SC12)c1ccc(Oc2ccccc2F)c(c1)[N+]([O-])=O |c:2,6,t:4|
Cc1ccc2c(cc(C#N)n2n1)-c1ccc(C(O)=O)c(O)c1
COC(=O)c1cc2cc(Oc3ccccc3)cc([N+]([O-])=O)c2[nH]1
COC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1
COC(=O)c1sc(nc1C)-c1cc2cc(cc(C#N)c2[nH]1)[N+]([O-])=O
COC(=O)c1cc2cc(CNS(C)(=O)=O)cc([N+]([O-])=O)c2[nH]1
COC(=O)c1cc2cc(C)cc(Br)c2[nH]1
COC(=O)c1cc2cc(OCC(C)C)ccc2[nH]1
Nc1c(I)cc(cc1C#N)[N+]([O-])=O
CCOC(=O)c1sc(nc1C)-c1cc(I)c2OC(C)(C)CCc2c1
Cc1nc(sc1C(O)=O)-c1cc(I)c2OC(C)(C)CCc2c1
CC1Cc2cc(cc(C#N)c2O1)-c1nc(C)c(s1)C(O)=O
Cc1nc([se]c1C(O)=O)-c1cc2CC3(CCCC3)Oc2c(c1)C#N
Cc1nc(sc1C(O)=O)-c1cc2CCC(C)(C)Oc2c(c1)C#N
Cc1nc([se]c1C(O)=O)-c1cc2CCC(C)(C)Oc2c(c1)C#N
Cc1nc(sc1C(O)=O)-c1cc2CC3(CCCCC3)Oc2c(c1)C#N
CCC1(C)Cc2cc(cc(C#N)c2O1)-c1nc(C)c(s1)C(O)=O
COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
O[C@H]1C(O)c2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 |r|
OCc1ccc(O)c(O)c1
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-c1cc2ccc(-[#8])cc2o1
CC1(C)Oc2cc(cc(O)c2C=C1)-c1cc2ccc(O)cc2o1 |c:12|
COc1ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O
c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
Oc1cc(OCc2ccc(cc2)C#N)c2c(c1)oc1cc(O)c(O)cc1c2=O
Fc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1
NC1=C(C#N)C(c2cccs2)c2c(O1)c1ccccc1oc2=O |c:1|
CC(=O)N1N=C(CC1c1ccncc1)c1ccco1 |c:4|
Cc1nc(-c2ccc(OCC(C)(C)C)c(c2)C#N)n(O)c1C(O)=O
O=C(Nc1ccc(OCc2ccccc2C#N)c(c1)-n1cnnn1)c1c[nH]cn1
CCCn1cc(C#N)c2cc(NC(=O)c3c[nH]cn3)ccc12
O=C(Nc1ccc2n(cc(C#N)c2c1)C1CCCC1)c1ccc2[nH]cnc2c1
COc1ccc(cc1O)C2=CC(=O)c3c(cc(cc3O2)O)O
COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O
Oc1cc(O)c2c(c1)oc(-c1ccc(O)c3oc(=O)sc13)c(O)c2=O
COc1cc(O)cc2c1c(C)c(O)oc2=O
O=c1oc2ccccc2c2OC(=CC(c3cccs3)c12)c1ccccc1 |c:12|
CCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
CCCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
CC(C)n1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
CCCCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
CC(C)Cn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
CCCCCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
CC(C)CCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
C=CCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
CC(C)=Cn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
CC#Cn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
N#Cc1cn(C2CCC2)c2ccc(-c3cc(C(=O)O)no3)cc12
N#Cc1cn(C2CCCC2)c2ccc(-c3cc(C(=O)O)no3)cc12
N#Cc1cn(CC2CCCC2)c2ccc(-c3cc(C(=O)O)no3)cc12
N#Cc1cn(Cc2ccccc2)c2ccc(-c3cc(C(=O)O)no3)cc12
N#Cc1cn(Cc2ccc(F)cc2)c2ccc(-c3cc(C(=O)O)no3)cc12
N#Cc1cn(Cc2ccc(Cl)cc2)c2ccc(-c3cc(C(=O)O)no3)cc12
N#Cc1cn(Cc2ccc(Br)cc2)c2ccc(-c3cc(C(=O)O)no3)cc12
N#Cc1cn(Cc2ccccc2Cl)c2ccc(-c3cc(C(=O)O)no3)cc12
N#Cc1cn(Cc2cccc(Cl)c2)c2ccc(-c3cc(C(=O)O)no3)cc12
N#Cc1cn(Cc2ccccc2F)c2ccc(-c3cc(C(=O)O)no3)cc12
N#Cc1cn(Cc2cccc(F)c2)c2ccc(-c3cc(C(=O)O)no3)cc12
Cc1ccccc1Cn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
N#Cc1c[nH]c2ccc(-c3cc(C(=O)O)no3)cc12
CC(C)NC(=O)c1cncc(-c2ccc(O)c(C(=O)O)c2)c1
CC(C)NC(=O)c1cncc(-c2ccc(Cl)c(C(=O)O)c2)c1
CC(C)NC(=O)c1cncc(-c2ccc(F)c(C(=O)O)c2)c1
CC(C)NC(=O)c1cncc(-c2ccc(C#N)cc2)c1
CC(C)NC(=O)c1cncc(-c2ccc(C(=O)O)cc2)c1
CC(C)NC(=O)c1cncc(-c2cccc(C(=O)O)c2)c1
CC(C)NC(=O)c1cncc(-c2ccc(C(=O)O)c(O)c2)c1
CC(=O)c1ccc(-c2cncc(C(=O)NC(C)C)c2)cc1
Cc1nc(C)c(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)s1
O=C(O)c1ccc(-c2cncc(Oc3ccccc3)c2)cc1O
O=C(O)c1ccc(-c2cncc(Oc3ccc(F)cc3)c2)cc1O
O=C(O)c1ccc(-c2cncc(Oc3ccc(Cl)cc3)c2)cc1O
Cc1ccc(Oc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1
CC(C)(C)c1ccc(Oc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1
O=C(O)c1ccc(-c2cncc(Oc3cccc(Cl)c3)c2)cc1O
Cc1cccc(Oc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)c1
O=C(O)c1ccc(-c2cncc(Nc3ccccc3)c2)cc1O
O=C(O)c1ccc(-c2cncc(Nc3ccc(F)cc3)c2)cc1O
O=C(O)c1ccc(-c2cncc(Nc3ccc(Cl)cc3)c2)cc1O
Cc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1
CCc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1
CC(C)(C)c1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1
COc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1
O=C(O)c1ccc(-c2cncc(Nc3cccc(Cl)c3)c2)cc1O
Cc1cccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)c1
O=C(O)c1ccc(-c2cncc(Nc3ccc(F)c(Cl)c3)c2)cc1O
O=C(O)c1ccc(-c2cncc(Nc3ccc(Cl)c(Cl)c3)c2)cc1O
Cc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1C
Cc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1F
Cc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1Cl
c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2
OCc1nnn(Cc2cccc(Br)c2)c1CO
C=Cc1ccc(C[n+]2cn(Cc3ccc(SC)cc3)c3ccccc32)cc1
COc1cc2ccc(C(=O)NCCCCc3ccc(O)c(O)c3)cc2cc1OC
Cc1c(/N=C/c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2)c(=O)n(-c2ccccc2)n1C
O=C(NS(=O)(=O)c1ccc(F)cc1)N1CCSC1=S
COc1ccc(C(=O)/C=C/c2ccc(O)cc2)c(OC)c1
O=[N+]([O-])c1ccc(-c2cnc(-c3ccc(Br)cc3)s2)cc1
CCn1c(O)c(C(c2ccc(Br)cc2)c2c(O)n(CC)c(=S)n(CC)c2=O)c(=O)n(CC)c1=S
O=C1CCC(Nc2nc3cc(C(=O)Nc4cc(O)c(O)c(O)c4)ccc3n2Cc2ccc(O)cc2)C(=O)N1
Oc1ccc(/C=C/c2cc(O)cc3oc(-c4ccc(O)cc4)c(-c4cc(O)cc(O)c4)c23)cc1
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4/c3=NNc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Nc1ccc(O)c(/N=N/c2ncc(-n3cc4c(=O)ncnc-4[nH]3)[nH]2)c1
N#Cc1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(C#N)c(C(=O)O)c4)cc3)cc2)cc1C(=O)O
COc1ccc2c(c1)C(=O)C(=O)N2CCn1cc(COc2cc(=O)oc3ccccc23)nn1
COc1ccc([C@@H]2C/C(=Nc3ccc([N+](=O)[O-])cc3Cl)c3c(O)cc(O[C@H]4O[C@@H](O[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@@H](O)[C@@H]4O)cc3O2)cc1O
Oc1cc(\C=C\c2ccc(O)c(O)c2)oc(=O)c1
CC(C)COc1ccc(-c2ccc(C(=O)O)c(O)c2)cc1C#N
CC(C)COc1ccc(-c2cccc(O)c2C(=O)O)cc1C#N
N#Cc1cccc(-c2ccc(C(=O)O)c(O)c2)c1
N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2ncsc2c1
N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2cc[nH]c2c1
N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2sccc2c1
N#Cc1cc2c(c(-c3ccc(C(=O)O)c(O)c3)c1)CCC2
N#Cc1cc(-c2ccc(C(=O)O)cc2)c2occc2c1
COc1cc(-c2cc(C#N)cc3ccoc23)ccc1C(=O)O
O=C(O)c1ccc(-c2cc(C(F)(F)F)cc3ccoc23)cc1O
N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2occ(C(F)(F)F)c2c1
N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2oc(C(F)(F)F)cc2c1
Cc1cc2cc(C#N)cc(-c3ccc(C(=O)O)c(O)c3)c2o1
N#Cc1ccc2c(c1)c(C(=O)Nc1cc[nH]c1C(=O)O)cn2Cc1ccccn1
N#Cc1ccc2c(c1)c(C(=O)Nc1scnc1C(=O)O)cn2Cc1ccccn1
N#Cc1ccc2c(c1)c(C(=O)Nc1ncc(C(=O)O)s1)cn2Cc1ccccn1
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c1O
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(-c3cc(O)c(O)c(O)c3)c(O)c4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(c(O)c4=O)-c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
CC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
COC(=O)c1cc(O)c(O)c(O)c1
COc1ccc(C=O)cc1O
COC(=O)c1ccc(cc1)O
COC(=O)c1ccc(c(c1)O)O
Oc1ccc(\C=C\C=O)cc1O
COc1cc(OC)c2c(O)c3c(cc2c1)oc(C)cc3=O
COc1cc(OC)c2c(O)c3c(oc(C)cc3=O)c(-c3c(OC)cc4cc(O)c5c(oc(C)cc5=O)c4c3OC)c2c1 |(9.32,-12.21,;9.32,-10.66,;10.66,-9.9,;10.67,-8.34,;12.01,-7.58,;12.02,-6.04,;10.69,-5.26,;13.34,-8.36,;14.67,-7.6,;14.68,-6.05,;16,-8.37,;16.01,-9.91,;17.33,-10.68,;18.66,-9.9,;20,-10.66,;18.65,-8.36,;17.32,-7.6,;17.31,-6.06,;14.67,-10.68,;14.67,-12.22,;13.33,-12.99,;12,-12.21,;10.66,-12.98,;13.33,-14.53,;14.67,-15.3,;14.66,-16.84,;16,-17.61,;16,-19.15,;17.33,-16.83,;17.33,-15.29,;18.66,-14.52,;19.98,-15.3,;21.32,-14.53,;19.98,-16.83,;18.65,-17.59,;18.65,-19.13,;16,-14.53,;16,-12.99,;17.34,-12.22,;18.67,-12.99,;13.34,-9.91,;12.01,-10.67,)|
COc1cc(\C=C\O[C@@H]2[C@@H]3O[C@@]3(CO)[C@@H]3[C@H]2C=CO[C@H]3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |r,c:18|
COc1cc(C[C@@H]2COC[C@@H]2C(O)c2ccc(O)c(OC)c2)ccc1O |r|
COc1cc2C[C@@](O)(CO)[C@H](CO)[C@@H](c3ccc(O)c(OC)c3)c2cc1O |r|
COc1cc(C[C@@H](CO)[C@H](CO)C(O)c2ccc(O)c(OC)c2)ccc1O |r|
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O\C=C\c4ccc(O)cc4)[C@@H]4O[C@@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |r,c:8|
OC[C@@H]1O[C@H](Oc2ccc(cc2)-c2cc(O)c3c(cc(O)cc3=O)o2)[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@H]1O |r,w:29.31|
O[C@H]1[C@H](COC(=O)C=Cc2ccc(O)cc2)O[C@H](Oc2ccc(cc2)-c2cc(O)c3c(cc(O)cc3=O)o2)[C@@H](O)[C@@H]1O |r,w:7.6|
O[C@H]1[C@H](COC(=O)C=Cc2ccc(O)cc2)O[C@H](Oc2ccc(cc2)-c2cc(O)c3c(cc(O)cc3=O)o2)[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@@H]1O |r,w:7.6,42.45|
Nc1c(cnn1-c1ccc(cc1)C(O)=O)C#N
CC(=O)OC[C@H]1O[C@@H](Nc2ncnc3n(ncc23)-c2ccc(cc2)C(O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Nc1ncnc2n(ncc12)-c1ccc(cc1)C(F)(F)F
Nc1ncnc2n(ncc12)-c1ccc(cc1)[N+]([O-])=O
Nc1ncnc2n(ncc12)-c1ccc(cc1)C#N
Nc1ncnc2n(ncc12)-c1ccc(cc1)C(O)=O
COc1ccc(cc1)-n1ncc2c(N)ncnc12
Cc1ccc(cc1)-n1ncc2c(N)ncnc12
COC(=O)CNC(=O)c1ccc(cc1)-n1ncc(C#N)c1N
Cc1ccc(cc1)-n1ncc(C#N)c1N
c1cc(ccc1n2c(c(cn2)C#N)N)Cl
Nc1c(cnn1-c1ccc(cc1)C(F)(F)F)C#N
Nc1c(cnn1-c1ccc(cc1)[N+]([O-])=O)C#N
Nc1c(cnn1-c1ccc(cc1)C#N)C#N
COc1ccc(cc1)-n1ncc(C#N)c1N
CC(=O)OC[C@H]1O[C@@H](Nc2c(cnn2-c2ccc(cc2)C(O)=O)C#N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
COC(=O)CNC(=O)c1ccc(cc1)-n1ncc2c(N)ncnc12
O=c1[nH]c2[nH]ccc2c(=O)[nH]1
[#6]-[#6]-[#6](-[#6])-[#6](=O)-[#6]-1-[#6](=O)[C@@]([#6])([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)[C@@]2([#6]-[#6@H]3-[#6@H](-[#6]-[#6][C@@]3([#6])[#8])[C@]([#6])([#8])[#6]2)[#6]-1=O |r|
CCOc1ccc(OCC)c(c1)C(=O)\C=C\c1ccc(C)s1
CCOc1ccc(OC)cc1C(=O)\C=C\c1ccc(C)s1
Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O
c1cc(c(cc1C2=COc3cc(ccc3C2=O)O)O)O
c1cc(ccc1C2=COc3cc(c(cc3C2=O)O)O)O
c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O
COc1cc2c(cc1O)occ(-c1ccc(O)cc1)c2=O
CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1cc(C)nc(Cl)c1
COc1cc(ccn1)-c1nnc([nH]1)-c1ccc(OCC(C)C)c(c1)[N+]([O-])=O
CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccccn1
CC(C)COc1ccc(NC(=O)C(O)=O)cc1Cl
CC(C)COc1ccc(cc1C(O)=O)-c1nnc([nH]1)-c1ccnc(C)c1
CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccncc1
CC(C)COc1ccc(NC(=O)Nc2ccncc2)cc1[N+]([O-])=O
COc1ccc(cc1OC)[C@@H]1Oc2cc(OC)c(O)c(OC)c2C(=O)[C@@H]1O |r|
COc1cc2O[C@@H]([C@@H](O)C(=O)c2c(OC)c1OC)c1ccc(O)c(O)c1 |r|
Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c(O)c1
COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 |r|
COc1cc(ccc1O)-c1oc2cc(O)cc(=O)c2c(O)c1OS([O-])(=O)=O
c1cc2c(cc1O)OC(=C(C2=O)O)c3cc(c(c(c3)O)O)O
Oc1ccc(cc1)[C@@H]1CC(=O)c2ccc(O)cc2O1 |r|
O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)cc1 |r|
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
COc1cc2cc(-c3cc4cc(O)c(O)cc4oc3=O)c(=O)oc2c(OC)c1O
[O-][N+](=O)c1cc(ccc1Cl)-c1nnc([nH]1)-c1ccncc1
Cc1cc(ccn1)-c1nnc([nH]1)-c1ccc(Cl)c(c1)[N+]([O-])=O
COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccncc1
COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccnc(C)c1
CC(C)COc1ccc(cc1C#N)-c1nnc([nH]1)-c1ccncc1
Cc1cc(ccn1)-c1nnc([nH]1)-c1ccnc(Cl)c1
Cc1cc(ccn1)-c1nnc([nH]1)-c1ccnc(c1)C#N
CSc1cc(ccn1)-c1nnc([nH]1)-c1ccnc(C)c1
Cc1cc(ccn1)-c1nnc([nH]1)-c1ccnc(c1)-c1ccccc1
CC(C)COc1cc(ccn1)-c1nnc([nH]1)-c1ccnc(C)c1
CC(C)CSc1cc(ccn1)-c1nnc([nH]1)-c1ccnc(C)c1
Clc1cc(ccn1)-c1nnc([nH]1)-c1ccnc(c1)C#N
N#Cc1cc(ccn1)-c1nnc([nH]1)-c1ccnc(c1)C#N
N#Cc1cc(ccn1)-c1nnc([nH]1)-c1ccncc1
Clc1cc(ccn1)-c1nnc([nH]1)-c1ccncc1
Brc1cc(ccn1)-c1nnc([nH]1)-c1ccncc1
Fc1cc(ccn1)-c1nnc([nH]1)-c1ccncc1
c1ccc(cc1)-c1cc(ccn1)-c1nnc([nH]1)-c1ccncc1
c1cc(ccn1)-c1nnc([nH]1)-c1ccncc1
c1cncc(c1)-c1nnc([nH]1)-c1ccncc1
Cc1cc(ccn1)-c1nnc([nH]1)-c1ccncc1
Cc1cc(ccn1)-c1nnc([nH]1)-c1ccnc(C)c1
N#Cc1ccc(cn1)-c1nnc([nH]1)-c1ccncc1
CC(C)COc1ccc(cn1)-c1nnc([nH]1)-c1ccncc1
CC(C)COc1ccc(cn1)-c1nnc([nH]1)-c1ccnc(C)c1
CC(C)COc1ccc(cn1)-c1nnc([nH]1)-c1ccnc(c1)C#N
CC(C)(C)c1ccc(COc2ccc(cc2C#N)-c2cc(no2)C(O)=O)cc1
CC(C)COc1ccc(cc1[N+]([O-])=O)-c1cc([n-][o+]1)C(O)=O
OC(=O)c1cc([o+][n-]1)-c1ccc(OCc2ccccc2)c(c1)[N+]([O-])=O
OC(=O)c1cc([o+][n-]1)-c1ccc(OCc2ccc(Cl)cc2)c(c1)[N+]([O-])=O
CC(C)(C)c1ccc(COc2ccc(cc2[N+]([O-])=O)-c2cc([n-][o+]2)C(O)=O)cc1
CC(C)COc1ccc(cc1C#N)-c1cc(no1)C(O)=O
OC(=O)c1cc(on1)-c1ccc(OCc2ccccc2)c(c1)C#N
OC(=O)c1cc(on1)-c1ccc(OCc2ccc(Cl)cc2)c(c1)C#N
Cc1n(Cc2cccnc2)c(=O)cc2[nH]n(-c3ccccc3)c(=O)c12
Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Cc1ccc(OCc2nn3c(nc(C)cc3=O)s2)cc1
Cc1cc(=O)n2nc(COc3cccc(Cl)c3)sc2n1
Cc1cc(=O)n2nc(COc3cccc(Br)c3)sc2n1
Cc1cc(=O)n2nc(COc3cccc(F)c3)sc2n1
Cc1cc(=O)n2nc(COc3ccccc3)sc2n1
COc1ccc(OCc2nn3c(nc(C)cc3=O)s2)cc1
Cc1cc(=O)n2nc(COc3ccc(Cl)cc3)sc2n1
Cc1cc(=O)n2nc(COc3ccccc3Br)sc2n1
Cc1cc(=O)n2nc(COc3ccccc3C)sc2n1
Cc1cc(=O)n2nc(COc3ccccc3Cl)sc2n1
Cc1cc(=O)n2nc(COc3ccc(Cl)c(C)c3)sc2n1
Cc1cccc(OCc2nn3c(nc(C)cc3=O)s2)c1
Cc1cc(=O)n2nc(COc3ccc(cc3)[N+]([O-])=O)sc2n1
Cc1ccc(OCc2nn3c(nc(C)cc3=O)s2)c(C)c1
Cc1cc(=O)n2nc(COc3ccccc3F)sc2n1
CC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1cccc2ccccc12 |c:4|
CC(=O)N1N=C(CC1c1cccc(c1)[N+]([O-])=O)c1cccc2ccccc12 |c:4|
COc1ccc(cc1)C1CC(=NN1C(C)=O)c1cccc2ccccc12 |c:11|
CC(=O)N1N=C(CC1c1cccc(Br)c1)c1cccc2ccccc12 |c:4|
CC(=O)N1N=C(CC1c1ccccc1[N+]([O-])=O)c1cccc2ccccc12 |c:4|
COc1ccc(OC)c(c1)C1CC(=NN1C(C)=O)c1cccc2ccccc12 |c:13|
COc1ccc(cc1OC)C1CC(=NN1C(C)=O)c1cccc2ccccc12 |c:13|
COc1cc(cc(OC)c1OC)C1CC(=NN1C(C)=O)c1cccc2ccccc12 |c:15|
COc1cc(OC)c(cc1OC)C1CC(=NN1C(C)=O)c1cccc2ccccc12 |c:15|
COc1cc(ccc1O)C1CC(=NN1C(C)=O)c1cccc2ccccc12 |c:12|
CC(=O)N1N=C(CC1c1cccc(Cl)c1Cl)c1cccc2ccccc12 |c:4|
CC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1cccc2ccccc12 |c:4|
CC(=O)N1N=C(CC1c1ccc2ccccc2c1)c1cccc2ccccc12 |c:4|
CC(=O)N1N=C(CC1c1ccccc1)c1ccco1 |c:4|
CC(=O)N1N=C(CC1c1ccccc1[N+]([O-])=O)c1ccco1 |c:4|
CC(=O)N1N=C(CC1c1cccc(c1)[N+]([O-])=O)c1ccco1 |c:4|
CC(=O)N1N=C(CC1c1cccc(O)c1)c1ccco1 |c:4|
CC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1ccco1 |c:4|
CC(=O)N1N=C(CC1c1ccc(Br)cc1)c1ccco1 |c:4|
CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccco1 |c:4|
COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccco1 |c:11|
CN(C)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccco1 |c:12|
CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccco1 |c:4|
COc1ccc(OC)c(c1)C1CC(=NN1C(C)=O)c1ccco1 |c:13|
COc1cc(cc(OC)c1OC)C1CC(=NN1C(C)=O)c1ccco1 |c:15|
COc1ccc(cc1OC)C1CC(=NN1C(C)=O)c1ccco1 |c:13|
COc1cc(OC)c(cc1OC)C1CC(=NN1C(C)=O)c1ccco1 |c:15|
COc1cc(ccc1O)C1CC(=NN1C(C)=O)c1ccco1 |c:12|
CC(=O)N1N=C(CC1c1cccc(Cl)c1Cl)c1ccco1 |c:4|
CC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccco1 |c:4|
CC(=O)N1N=C(CC1c1ccc2ccccc2c1)c1ccco1 |c:4|
C1C(N=NC1c1ccccc1)c1ccccc1 |c:2|
CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:4|
COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccccc1 |c:11|
CN(C)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccccc1 |c:12|
CC(=O)N1N=C(CC1c1cccc(Cl)c1Cl)c1ccccc1 |c:4|
CC(=O)N1[C@@H](CC(=N1)c2ccccc2)c3ccc(c(c3)OC)OC
COc1cc(ccc1O)C1CC(=NN1C(C)=O)c1ccccc1 |c:12|
COc1cc(cc(OC)c1OC)C1CC(=NN1C(C)=O)c1ccccc1 |c:15|
CC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccccc1 |c:4|
CC(=O)N1N=C(CC1c1ccccc1)c1ccc(Br)cc1 |c:4|
COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(Br)cc1 |c:11|
COc1ccc(cc1OC)C1CC(=NN1C(C)=O)c1ccc(Br)cc1 |c:13|
COc1cc(cc(OC)c1OC)C1CC(=NN1C(C)=O)c1ccc(Br)cc1 |c:15|
CC(=O)N1N=C(CC1c1cccc(Cl)c1Cl)c1ccc(Br)cc1 |c:4|
CC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccc(Br)cc1 |c:4|
CC(=O)N1N=C(CC1c1ccccc1)c1cccc(c1)[N+]([O-])=O |c:4|
COc1ccc(cc1)C1CC(=NN1C(C)=O)c1cccc(c1)[N+]([O-])=O |c:11|
COc1ccc(cc1OC)C1CC(=NN1C(C)=O)c1cccc(c1)[N+]([O-])=O |c:13|
CC(=O)N1N=C(CC1c1cccc(Cl)c1Cl)c1cccc(c1)[N+]([O-])=O |c:4|
CC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1cccc(c1)[N+]([O-])=O |c:4|
CC(=O)N1N=C(CC1c1ccccc1)c1cccc2ccccc12 |c:4|
O=c1c2ccccc2oc2cc(OCCCN3CCCCC3)ccc12
O=c1c2ccccc2oc2cc(OCCCN3CCCC3)ccc12
CN1CCN(CCCOc2ccc3c(c2)oc2ccccc2c3=O)CC1
O=c1c2ccccc2oc2cc(OCCCN3CCNCC3)ccc12
CCN(CC)CCCOc1ccc2c(c1)oc1ccccc1c2=O
Oc1ccc2c(c1)oc1cc(OCCCN3CCCCC3)ccc1c2=O
Oc1ccc2c(c1)oc1cc(OCCCN3CCCC3)ccc1c2=O
Oc1ccc2c(c1)oc1cc(OCCCNC3CC3)ccc1c2=O
Oc1ccc2c(c1)oc1cc(OCCCNC3CCCCC3)ccc1c2=O
CCN(CC)CCCOc1ccc2c(c1)oc1cc(O)ccc1c2=O
Oc1ccc2c(c1)oc1cc(OCCCN3CCNCC3)ccc1c2=O
CN1CCN(CCCOc2ccc3c(c2)oc2cc(O)ccc2c3=O)CC1
c1c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O
Cc1ccccc1COc1cc(O)cc2oc3cc(O)c(O)cc3c(=O)c12
Cc1cccc(COc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)c1
Cc1ccc(COc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)cc1
Oc1cc(OCc2ccccc2Cl)c2c(c1)oc1cc(O)c(O)cc1c2=O
Oc1cc(OCc2ccc(Cl)cc2)c2c(c1)oc1cc(O)c(O)cc1c2=O
Oc1cc(OCc2ccc(Br)cc2)c2c(c1)oc1cc(O)c(O)cc1c2=O
CC(=O)NC(CC(=O)c1ccccc1)c1ccccc1
O=C(CC(NC(=O)c1ccccc1)c1ccccc1)c1ccccc1
CC(=O)NC(CC(=O)c1ccccc1)c1cccc(c1)[N+]([O-])=O
[O-][N+](=O)c1cccc(c1)C(CC(=O)c1ccccc1)NC(=O)c1ccccc1
CC(=O)NC(CC(=O)c1ccccc1)c1cccc(Br)c1
CC(=O)NC(CC(=O)c1ccccc1)c1ccc(cc1)[N+]([O-])=O
CC(=O)NC(CC(=O)c1ccccc1)c1ccc(Cl)cc1
CC(=O)NC(CC(=O)c1ccccc1)c1ccc(cc1)C#N
COc1ccc(cc1)C(CC(=O)c1ccccc1)NC(C)=O
CC(=O)NC(CC(=O)c1ccccc1)c1ccccc1[N+]([O-])=O
COc1ccc(cc1OC)C(CC(=O)c1ccccc1)NC(C)=O
COc1ccc(OC)c(c1)C(CC(=O)c1ccccc1)NC(C)=O
COc1ccc(C(CC(=O)c2ccccc2)NC(C)=O)c(OC)c1OC
COc1cc(cc(OC)c1OC)C(CC(=O)c1ccccc1)NC(C)=O
CC(=O)NC(CC(=O)c1ccccc1)c1ccc2ccccc2c1
C[N+](=O)C(CC(=O)c1ccccc1)c1c2ccccc2cc2ccccc12
CC(=O)NC(CC(=O)c1ccccc1)c1cccc2ccccc12
CC(=O)NC(CC(=O)c1ccc2ccccc2c1)c1ccccc1
CC(=O)NC(CC(=O)c1ccc2ccccc2c1)c1cccc(Br)c1
CC(=O)NC(CC(=O)c1cccc2ccccc12)c1ccccc1
CC(=O)NC(CC(=O)c1cccc2ccccc12)c1cccc(Br)c1
CC(=O)NC(CC(=O)c1cccc2ccccc12)c1cccc(c1)[N+]([O-])=O
CC(=O)NC(CC(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccc1
CC(=O)NC(CC(=O)c1ccc(cc1)[N+]([O-])=O)c1ccc(Cl)cc1
COc1ccc(cc1)C(CC(=O)c1ccc(cc1)[N+]([O-])=O)NC(C)=O
CC(=O)NC(CC(=O)c1ccc(Cl)cc1)c1ccccc1
CC(=O)NC(CC(=O)c1ccc(Cl)cc1)c1ccc(C)cc1
CC(=O)NC(CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
COc1ccc(OC)c(c1)C(CC(=O)c1cccc(NC(C)=O)c1)NC(C)=O
CC(=O)NC(CC(=O)c1cccc(NC(C)=O)c1)c1cccc(c1)[N+]([O-])=O
CC(=O)NC(CC(=O)c1cccc(NC(C)=O)c1)c1ccc(Cl)cc1
CC(=O)NC(CC(=O)c1ccccc1)c1ccco1
CC(=O)NC(CC(=O)c1ccccc1)c1cccs1
CC(=O)NC(CC(=O)c1ccco1)c1cccc(c1)[N+]([O-])=O
COc1ccc(OC)c(c1)C(CC(=O)c1cc(Cl)cs1)NC(C)=O
CC(=O)NC(CC(=O)c1cc(Cl)cs1)c1ccc(Cl)cc1
CC(=O)NC(CC(=O)c1ccco1)c1ccccc1
CC(=O)NC(CC(=O)c1cccs1)c1ccccc1
CC(=O)NC(CC(=O)c1cc(C)sc1C)c1cccc(c1)[N+]([O-])=O
CC(=O)NC(CC(=O)c1cc(C)sc1C)c1ccc(Cl)cc1
CC(=O)NC(CC(=O)c1ccccc1)\C=C\c1ccccc1
CC(=O)NC(CC(=O)c1cccc(NC(C)=O)c1)\C=C\c1ccccc1
Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
CCCCCCCCCCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1
CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1
CCCCCCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1
CCCCCCCCCCCCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1
CC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1
CCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1
CCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1
Cn1c(N)nc(O)c2ccnc12
Cn1ccc2c1nc(N)[nH]c2=O
c1c[nH]c2c1C(=O)NC(=N2)N
Cn1c(N)nc2[nH]ccc2c1=O
C[C@]1(CO)Oc2ccc(O)cc2C=C1 |c:13|
Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(O)=O
Cn1cc2CC[N+](C)=C3C=C(NCCc4ccc(O)cc4)C(=O)c1c23 |t:7,9|
COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc(\C=C\c2ccc(O)cc2)c1 |r|
COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(\C=C\c2ccc(O)cc2)c1 |r|
CCCOC(=O)c1cc(O)c(O)c(O)c1
COc1ccc(O)cc1C(C)(C)C
c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
OC[C@H]1OC(Oc2c(O)c(OC3OC[C@@H](O)[C@H](O)[C@H]3O)c3oc(c(O)c(=O)c3c2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1OC(Oc2c(O)c(OC3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c3c2oc(c(O)c3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
OC[C@H]1O[C@@H](Oc2c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3oc(-c4ccc(O)cc4)c(O)c(=O)c3c2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2o1 |r|
C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)oc(cc4=O)-c3ccc(O)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
O[C@@H]1[C@@H](COC(=O)C=Cc2ccc(O)cc2)O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H]1O |r,w:7.6|
C[C@@H]1O[C@@H](OC[C@H]2OC(Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(O)c2=O
COc1cc(ccc1O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
OC1C(=O)C(Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1
c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O
c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O
c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O
Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Oc1c(oc2ccccc2c1=O)-c1ccccc1
c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O
O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
CCOC(=O)COc1cc(O)c2c(c1)oc(-c1ccc3OC(CO)C(Oc3c1)c1ccc(OCC(=O)OCC)c(OC)c1)c(O)c2=O
COc1cc(ccc1O)C1Oc2cc(ccc2OC1CO)-c1oc2cc(O)cc(=O)c2c(O)c1O
COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1CO)C1Oc2cc(O)cc(O)c2C(O)C1=O
CCC[C@H]1C[C@H]2OC(=O)c3c(O)c(OC)c(OC)cc3[C@H]2O1 |r|
CCC[C@H]1C[C@H]2OC(=O)c3c(O)c(O)c(OC)cc3[C@H]2O1 |r|
CCC[C@H](O)C[C@@H]1Cc2cc(OC)c(OC)c(O)c2C(=O)O1 |r|
CCC[C@H](O)C[C@@H]1Cc2cc(OC)c(O)c(O)c2C(=O)O1 |r|
CCC[C@@H](O)C[C@H]1OC(=O)c2c(O)c(OC)c(OC)cc2[C@H]1O |r|
CCCC(=O)CC[C@H]1OC(=O)c2c1cc(OC)c(OC)c2O |r|
COc1ccc(cc1)-c1cc(NS(C)(=O)=O)nc(N)n1
COc1ccc(cc1)-c1cc(=O)[nH]c(=O)[nH]1
COc1ccc(cc1)-c1cc(Cl)nc(Cl)n1
COc1ccc(cc1)-c1cc(N)nc(N)n1
COc1ccc(cc1)-c1cc(OC)nc(N)n1
COc1ccc(cc1)-c1ccnc(N)n1
COc1ccc(cc1)-c1cc(nc(NN)n1)C#N
COc1ccc(cc1)-c1cc(nc(N)n1)C(F)(F)F
COc1ccc(cc1)-c1cc(=O)[nH]c(N)n1
COc1ccc(cc1OC)-c1cc(=O)[nH]c(N)n1
COc1ccc(cc1OC)-c1cc(=S)[nH]c(N)n1
CC(C)COc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1
CC(C)COc1ccc(cc1[N+]([O-])=O)-c1cc(=O)[nH]c(N)n1
COc1cc(ccc1OCC(C)C)-c1cc(=O)[nH]c(N)n1
CC(C)COc1ccc(cc1C(N)=O)-c1cc(=O)[nH]c(N)n1
CC(C)COc1ccc(cc1N)-c1cc(=O)[nH]c(N)n1
CC(C)COc1ccc(cc1OC(F)(F)F)-c1cc(=O)[nH]c(N)n1
Nc1nc(cc(=O)[nH]1)-c1ccc(Oc2ccccc2)cc1
Nc1nc(cc(=O)[nH]1)-c1ccc(cc1)N1CCOCC1
Nc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Nc1nc(cc(=O)[nH]1)-c1ccc(Cc2ccccc2)cc1
Nc1nc(cc(=O)[nH]1)-c1ccc(O)cc1
CC(C)Cc1ccc(cc1)-c1cc(=O)[nH]c(N)n1
CCCCSc1ccc(cc1)-c1cc(=O)[nH]c(N)n1
Nc1nc(cc(=O)[nH]1)-c1ccc(OCCCO)cc1
CC(C)Sc1ccc(cc1)-c1cc(=O)[nH]c(N)n1
CCCCOc1ccc(cc1)-c1cc(=O)[nH]c(N)n1
CC(C)COc1ccc(cc1)-c1cc(=O)[nH]c(N)n1
Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccccc4)c3)ccc12
Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccccc4Cl)c3)ccc12
Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4cccc(Cl)c4)c3)ccc12
Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccc(Cl)cc4)c3)ccc12
Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccccc4F)c3)ccc12
Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4cccc(F)c4)c3)ccc12
Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)ccc12
Cc1ccccc1C(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc2n(C)c3ccccc3c2c1
Cc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc2n(C)c3ccccc3c2c1
Cc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc2n(C)c3ccccc3c2c1
Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccc(cc4)C(C)(C)C)c3)ccc12
Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4cccc(c4)C(F)(F)F)c3)ccc12
Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4ccco4)c3)ccc12
Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4cccs4)c3)ccc12
Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)\C=C\c4ccccc4)c3)ccc12
Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)C4CC4)c3)ccc12
CC(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc2n(C)c3ccccc3c2c1
Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(N)c3)ccc12
Cn1c2ccccc2c2cc(\C=C\C(=O)c3cccc(NC(=O)c4cccc(Br)c4)c3)ccc12
CN(C)c1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(Cl)cc1)c1cc(Cl)sc1S(N)(=O)=O |c:12|
CN(C)c1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(Cl)cc1)c1cc(Cl)sc1SCc1ccccc1 |c:12|
CN(C)c1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(Cl)cc1)c1cc(Cl)sc1Cl |c:12|
NS(=O)(=O)c1sc(Cl)cc1C1=NN(C(C1)c1ccc(F)cc1)c1nc(cs1)-c1ccc(Cl)cc1 |t:11|
Fc1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(Cl)cc1)c1cc(Cl)sc1SCc1ccccc1 |c:10|
Fc1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(Cl)cc1)c1cc(Cl)sc1Cl |c:10|
NS(=O)(=O)c1sc(Cl)cc1C1=NN(C(C1)c1ccc(Cl)cc1)c1nc(cs1)-c1ccc(Cl)cc1 |t:11|
Clc1cc(C2=NN(C(C2)c2ccc(Cl)cc2)c2nc(cs2)-c2ccc(Cl)cc2)c(SCc2ccccc2)s1 |t:4|
Clc1cc(C2=NN(C(C2)c2ccc(Cl)cc2)c2nc(cs2)-c2ccc(Cl)cc2)c(Cl)s1 |t:4|
CCCCc1nc(Cl)c([nH]1)C1CC(=NN1c1nc(cs1)-c1ccc(Cl)cc1)c1cc(Cl)sc1S(N)(=O)=O |c:13|
CCCCc1nc(Cl)c([nH]1)C1CC(=NN1c1nc(cs1)-c1ccc(Cl)cc1)c1cc(Cl)sc1SCc1ccccc1 |c:13|
CCCCc1nc(Cl)c([nH]1)C1CC(=NN1c1nc(cs1)-c1ccc(Cl)cc1)c1cc(Cl)sc1Cl |c:13|
Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccccc2)c(c1)C#N
CC(C)(C)COc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1
CC(C)C(C)Oc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1
CCC(CC)COc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1
COc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1
Nc1nccc(n1)-c1ccc(OCC2CCC(CC2)C(O)=O)c(c1)C#N |(11.11,-13.05,;12.45,-12.28,;12.45,-10.74,;13.78,-9.97,;15.12,-10.73,;15.12,-12.28,;13.79,-13.05,;16.45,-13.05,;17.78,-12.28,;19.12,-13.04,;19.12,-14.59,;20.46,-15.36,;20.46,-16.9,;21.8,-17.66,;21.8,-19.21,;23.13,-19.97,;24.47,-19.2,;24.46,-17.65,;23.12,-16.89,;25.8,-19.96,;25.8,-21.48,;27.12,-19.19,;17.79,-15.36,;16.45,-14.59,;17.8,-16.9,;17.8,-18.44,)|
COC(=O)C1CCC(COc2ccc(cc2C#N)-c2ccnc(N)n2)CC1 |(24.48,-22.25,;25.8,-21.48,;25.8,-19.96,;27.12,-19.19,;24.47,-19.2,;23.13,-19.97,;21.8,-19.21,;21.8,-17.66,;20.46,-16.9,;20.46,-15.36,;19.12,-14.59,;19.12,-13.04,;17.78,-12.28,;16.45,-13.05,;16.45,-14.59,;17.79,-15.36,;17.8,-16.9,;17.8,-18.44,;15.12,-12.28,;15.12,-10.73,;13.78,-9.97,;12.45,-10.74,;12.45,-12.28,;11.11,-13.05,;13.79,-13.05,;23.12,-16.89,;24.46,-17.65,)|
Nc1nccc(n1)-c1ccc(OCC2CCCCC2)c(c1)C#N
Nc1nccc(n1)-c1ccc(OCC2CCC2)c(c1)C#N
Nc1nccc(n1)-c1ccc(OCc2ccc(F)cc2C(F)(F)F)c(c1)C#N
Nc1nccc(n1)-c1ccc(OCc2ccccc2C(F)(F)F)c(c1)C#N
Nc1nccc(n1)-c1ccc(OCc2ccc(F)cc2)c(c1)C#N
CC(C)COc1ccc(cc1C#N)-c1ccnc(N)n1
CC(C)COc1ccc(cc1C#N)-c1cc(=O)[nH]c(C)n1
CC(C)COc1ccc(cc1C#N)-c1cc(=O)[nH]cn1
CC(C)COc1ccc(cc1C#N)-c1cc(nc(N)n1)C(N)=O
CC(C)COc1ccc(cc1C#N)-c1cc(nc(N)n1)C(O)=O
COC(=O)C1CCC(COc2ccc(cc2C#N)-c2cc(=O)[nH]c(N)n2)CC1 |(39.78,-47.2,;41.12,-46.43,;41.12,-44.89,;42.45,-44.12,;39.78,-44.12,;38.44,-44.89,;37.12,-44.13,;37.12,-42.59,;35.79,-41.82,;35.78,-40.28,;34.45,-39.52,;34.44,-37.97,;33.1,-37.21,;31.78,-37.98,;31.78,-39.52,;33.11,-40.29,;33.12,-41.83,;33.12,-43.37,;30.45,-37.21,;30.44,-35.66,;29.11,-34.9,;29.1,-33.36,;27.78,-35.67,;27.78,-37.21,;26.44,-37.98,;29.11,-37.98,;38.44,-41.81,;39.78,-42.58,)|
Nc1nc(cc(=O)[nH]1)-c1ccc(OCC2CCC(CC2)C(O)=O)c(c1)C#N |(13.46,-38.13,;14.8,-37.36,;16.13,-38.13,;17.47,-37.36,;17.46,-35.81,;16.13,-35.05,;16.12,-33.51,;14.8,-35.82,;18.8,-38.13,;20.12,-37.35,;21.46,-38.12,;21.46,-39.66,;22.8,-40.43,;22.8,-41.97,;24.14,-42.74,;24.13,-44.27,;25.46,-45.04,;26.8,-44.27,;26.8,-42.73,;25.46,-41.95,;28.14,-45.04,;28.13,-46.58,;29.47,-44.27,;20.13,-40.44,;18.8,-39.67,;20.14,-41.97,;20.14,-43.51,)|
COC(=O)c1ccc(COc2ccc(cc2C#N)-c2cc(=O)[nH]c(N)n2)cc1
Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccc(cc2)C(O)=O)c(c1)C#N
COC(=O)C(C)(C)COc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1
CC(C)(COc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1)C(O)=O
Nc1nc(cc(=O)[nH]1)-c1ccc(OCC2CCCCC2)c(c1)C#N
Nc1nc(cc(=O)[nH]1)-c1ccc(OCC2CCC2)c(c1)C#N
CC(C)(C)c1ccc(COc2ccc(cc2C#N)-c2cc(=O)[nH]c(N)n2)cc1
Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccc(F)cc2C(F)(F)F)c(c1)C#N
Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccccc2C(F)(F)F)c(c1)C#N
Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccc(F)cc2)c(c1)C#N
COC(=O)C1=C(C)Oc2ccc3ccccc3c2C1c1ccc[nH]1 |c:4|
COC(=O)C1=C(C)Oc2ccc3ccccc3c2C1c1sccc1C |c:4|
CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2C1c1ccco1 |c:5|
CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2C1c1cccs1 |c:5|
COC(=O)C1=C(C)Oc2ccc3ccccc3c2C1c1ccco1 |c:4|
COC(=O)C1=C(C)Oc2ccc3ccccc3c2C1c1cccs1 |c:4|
COC(=O)C1=C(C)Oc2ccc3ccccc3c2C1c1ccc(OC)c(OC)c1 |c:4|
COC(=O)C1=C(C)Oc2ccc3ccccc3c2C1c1ccc(O)cc1 |c:4|
COC(=O)C1=C(C)Oc2ccc3ccccc3c2C1c1ccc(OC)cc1 |c:4|
CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2C1c1ccccc1 |c:5|
C[N+](C)(C)Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
COc1cccc2C(=O)c3cc(\C=N\[C@H]4C(OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)cc(OC)c3C(=O)c12 |r|
Oc1cccc2C(=O)c3cc(\C=N\c4ccccc4)cc(O)c3C(=O)c12
Oc1cccc2C(=O)c3cc(C=O)cc(O)c3C(=O)c12
Nc1nc(c(Cl)c(=O)[nH]1)-c1ccc(OCC2CCOC2)c(c1)C(F)(F)F
Nc1nc(c(Cl)c(=O)[nH]1)-c1ccc(OCC2CCOC2)c(c1)C#N
Nc1nc(-c2ccc(OCC3CCOC3)c(OC(F)(F)F)c2)c(C#N)c(=O)[nH]1
CC(C)COc1ccc(cc1C#N)-c1nc(N)[nH]c(=O)c1C#N
CC(=O)Nc1ccc(cc1)-c1cc(=O)[nH]c(N)n1
FC(F)(F)c1cccc(c1)-c1cn2c(cc[nH]c2=O)n1
Nc1nc(c(Cl)c(=O)[nH]1)-c1ccc(OCC2CCOC2)c(OC(F)(F)F)c1
Cc1cc(cc(C#N)c1OCC1CCOC1)-c1nc(N)[nH]c(=O)c1Cl
CC(C)COc1ccc(cc1C(F)(F)F)-c1nc(N)[nH]c(=O)c1C#N
CC(C)(C)COc1ccc(cc1OC(F)(F)F)-c1nc(N)[nH]c(=O)c1C#N
Nc1nc(-c2ccc(OCC3CC3)c(c2)C#N)c(C#N)c(=O)[nH]1
Nc1nc(c(Cl)c(=O)[nH]1)-c1ccc(OCCCCO)c(c1)C#N
CNc1nc(-c2ccc(OCC(C)C)c(c2)C#N)c(C#N)c(=O)[nH]1
CC(C)COc1ccc(cc1C#N)-c1nc(N)[nH]c(=O)c1Cl
Nc1nc(cc(=O)[nH]1)-c1ccc(OCC2CCOC2)cc1
Nc1nc(cc(=O)[nH]1)-c1ccc(OCCCCO)cc1
CC(C)(C)COc1ccc(cc1)-c1cc(=O)[nH]c(N)n1
Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccccc2)cc1
Nc1nc(cc(=O)[nH]1)-c1cc(cc(c1)C(F)(F)F)C#N
Cc1cc(cc(c1)-c1cc(=O)[nH]c(N)n1)C#N
Cc1cccc(c1)-c1cc(=O)[nH]c(N)n1
Nc1nc(cc(=O)[nH]1)-c1cccc(OC(F)(F)F)c1
Nc1nc(cc(=O)[nH]1)-c1cccc(c1)C(F)(F)F
Nc1nc(cc(=O)[nH]1)-c1cccc(c1)C#N
Nc1nc(-c2ccccc2)c(-c2ccccc2)c(=O)[nH]1
Cc1c(nc(N)[nH]c1=O)-c1ccccc1
Nc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1
Nc1nc(-c2ccccc2)c(Br)c(=O)[nH]1
Nc1nc(-c2ccccc2)c(Cl)c(=O)[nH]1
Nc1nc(-c2ccccc2)c(F)c(=O)[nH]1
Cn1c(N)nc(cc1=O)-c1ccccc1
CS(=O)(=O)Nc1nc(cc(=O)[nH]1)-c1ccccc1
CC(=O)Nc1nc(cc(=O)[nH]1)-c1ccccc1
O=c1cc(nc(NCc2ccccc2)[nH]1)-c1ccccc1
CNc1nc(cc(=O)[nH]1)-c1ccccc1
c1ccc(cc1)-c1nn2c(nnc2s1)-c1cnccn1
COc1ccc(cc1)-c1cnc2nc[nH]c(=O)c2n1
Brc1ccc(cc1)-c1cn2c(n1)nc[nH]c2=O
Nc1nc(cc(=O)[nH]1)-c1ccccc1
c1ccc(c(c1)C(=O)O)O
Nc1nc(O)c2ncn(-c3ccc(Cl)c(Cl)c3)c2n1
Nc1nc(O)c2ncn(-c3ccc(Cl)cc3)c2n1
Cc1ccc(cc1)-n1cnc2c(O)nc(N)nc12
COc1ccc(cc1)-n1cnc2c(O)nc(N)nc12
Nc1nc(O)c2ncn(-c3ccccc3)c2n1
Nc1nc(O)c2ncn(-c3cccc(Cl)c3)c2n1
Cc1cccc(c1)-n1cnc2c(O)nc(N)nc12
COc1cccc(c1)-n1cnc2c(O)nc(N)nc12
Nc1nc(O)c2ncn(-c3cccc(c3)C(F)(F)F)c2n1
Oc1cc(O)n2nccc2n1
Oc1cc(O)n2ncc(Br)c2n1
Oc1cc(O)n2ncc(Cl)c2n1
Oc1cc(O)n2ncc(-c3ccccc3)c2n1
Oc1cc(O)n2ncc(-c3cccnc3)c2n1
Oc1cc(O)n2ncc(-c3cccc4ccccc34)c2n1
Oc1cc(O)n2ncc([N+]([O-])=O)c2n1
Oc1cc(O)n2ncc(-c3ccc(Br)cc3)c2n1
Oc1cc(O)n2ncc(-c3ccc(Cl)cc3)c2n1
CC(=O)Nc1ccc(cc1)-c1cnn2c(O)cc(O)nc12
Cc1ccc(cc1)-c1cnn2c(O)cc(O)nc12
Cc1cccc(c1)-c1cnn2c(O)cc(O)nc12
Oc1cc(O)n2ncc(-c3ccc4OCOc4c3)c2n1
Cc1nc([se]c1C(O)=O)-c1ccc(OCC#C)c(c1)C#N
CCCCCOc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
CCC(C)Oc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
CCCOc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
COc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Cc1nc([se]c1C(O)=O)-c1ccc(OCC=C)c(c1)C#N
CCCCOc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Cc1nc([se]c1C(O)=O)-c1ccc(OCc2ccccc2)c(c1)[N+]([O-])=O
Cc1nc([se]c1C(O)=O)-c1ccc(OCC=C)c(c1)[N+]([O-])=O
CC(C)CCOc1ccc(cc1[N+]([O-])=O)-c1nc(C)c([se]1)C(O)=O
CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nc(C)c([se]1)C(O)=O
CCCCOc1ccc(cc1[N+]([O-])=O)-c1nc(C)c([se]1)C(O)=O
CCOc1ccc(cc1[N+]([O-])=O)-c1nc(C)c([se]1)C(O)=O
OC(=O)CCCCCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
OC(=O)CCCCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
OC(=O)CCCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
OC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
OC(=O)CCCCCCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1
OC(=O)CCCCCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1
OC(=O)CCCCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1
OC(=O)CCCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1
OC(=O)CCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1
OC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1
OC(=O)CCCCCCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)cc1
OC(=O)CCCCCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)cc1
OC(=O)CCCCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)cc1
OC(=O)CCCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)cc1
OC(=O)CCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)cc1
OC(=O)COc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)cc1
OC(=O)CCCCCCCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
OC(=O)CCCCCCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
CCOC(=O)C1=Nc2c(O)ccc(-c3cc(=O)c4c(O)cc(O)cc4o3)c2SC1 |t:5|
COc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
CC(C)Oc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
CCC(C)Oc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
CCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
CCCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
CC(C)COc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
CC(C)CCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
CCCCCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
CCCCCCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
CCCCCCCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Cc1nc(-c2ccc(Cc3ccc(C)cc3)c(c2)C#N)n(O)c1C(O)=O
CCC(C)Oc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1OC
COn1c(nc(C)c1C(O)=O)-c1ccc(OCCC(C)C)c(c1)C#N
CCCCCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1OC
COn1c(nc(C)c1C(O)=O)-c1ccc(Cc2ccc(C)cc2)c(c1)C#N
Nc1nc2c(c[nH]c2c(=O)[nH]1)C(=O)c1cccc(c1)[N+]([O-])=O
Oc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Oc1ccc(\C=C\C(=O)c2c(O)cccc2O)cc1O
Oc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Oc1ccc(\C=C\C(=O)c2ccc(O)c(O)c2)cc1O
Oc1ccc(cc1O)C(=O)\C=C\c1cccc(O)c1O
Oc1cc(O)cc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Oc1ccc(\C=C\C(=O)c2ccc(O)c(O)c2O)cc1O
Oc1ccc(\C=C\C(=O)c2ccc(O)c(O)c2O)c(O)c1O
c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O
Oc1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Oc1ccc(O)c(\C=C\C(=O)c2ccc(O)c(O)c2)c1
Oc1ccc(cc1O)C(=O)\C=C\c1ccc(O)c(O)c1O
Oc1ccc(\C=C\C(=O)c2ccccc2)cc1O
[H][C@@]12C[C@@](C)([C@@H](O)C[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O)C(O)=O |r,t:15|
[H][C@@]12C[C@@](C)([C@@H](O)C[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]3([H])CC[C@@]12C)C(O)=O)C(O)=O |r,t:15|
[H]C1(OC2C(O)C(O)C(CO)OC2OCC2(C)C(O)CCC3(C)C2([H])CCC2(C)C3([H])CC=C3C4([H])CC(C)(O)C(O)CC4(CCC23C)C(O)=O)OC(C)C(O)C(O)C1O |t:35|
[H]C1(OC2CCC3(C)C([H])(CCC4(C)C3([H])CC=C3C5([H])CC(CO)CCC5(CCC43C)C(=O)OC3OC(COC4OC(CO)C(OC5([H])OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)C2(C)C)OCC(O)C(O)C1OC1([H])OC(C)C(O)C(O)C1O |t:18|
[H]C1(OC2C(O)COC([H])(OC3C(O)C(O)COC3([H])OC3CCC4(C)C([H])(CCC5(C)C4([H])CC=C4C6([H])CC(=C)CCC6(CCC54C)C(=O)OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3(C)C)C2O)OCC(O)C(O)C1O |t:37|
[H][C@@]1(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(=C)CC[C@@]5(CC[C@@]43C)C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@]5([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@]2(C)CO)OC[C@H](O)[C@H](O[C@]2([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H]1O |r,t:18|
[H]C1(OC2C(O)C(C)OC([H])(OC3C(O)C(O)COC3([H])OC3CCC4(C)C([H])(CCC5(C)C4([H])CC=C4C6([H])CC(=C)CCC6(CCC54C)C(=O)OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3(C)C)C2O)OCC(O)C(O)C1O |t:38|
[H][C@@]1(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(=C)CC[C@@]5(CC[C@@]43C)C(O)=O)C2(C)C)OC[C@H](O)[C@H](O)[C@H]1O[C@]1([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r,t:18|
[H][C@@]1(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(=C)CC[C@@]5(CC[C@@]43C)C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@]2(C)CO)OC[C@H](O)[C@H](O)[C@H]1O |r,t:18|
[H][C@@]1(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(=C)CC[C@@]5(CC[C@@]43C)C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C2(C)C)OC[C@H](O)[C@H](O[C@]2([H])OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1O |r,t:18|
[H]C1(OC2C(O)COC([H])(OC3C(O)C(O)COC3([H])OC3C(O)COC([H])(OC4CCC5(C)C([H])(CCC6(C)C5([H])CC=C5C7([H])CC(=C)CCC7(CCC65C)C(=O)OC5OC(COC6OC(CO)C(OC7([H])OC(C)C(O)C(O)C7O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3O)C2O)OCC(O)C(O)C1O |t:45|
COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccc(cc3)S(C)(=O)=O)C2=O)c1
COc1cc(OC)cc(\C=C2/CC\C(=C/c3ccccc3Cl)C2=O)c1
COc1cc(OC)cc(\C=C2/CCC\C(=C/c3cccc(Cl)c3)C2=O)c1
COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccccc3Cl)C2=O)c1
COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccc(Br)cc3)C2=O)c1
COc1cc(OC)cc(\C=C2/CC\C(=C/c3ccc(cc3)S(C)(=O)=O)C2=O)c1
COc1cc(OC)cc(\C=C2/CCC\C(=C/c3cccc(Br)c3)C2=O)c1
COc1cc(OC)cc(\C=C2/CC\C(=C/c3cccc(Cl)c3)C2=O)c1
COc1cc(OC)cc(\C=C2/CC\C(=C/c3cccc(Br)c3)C2=O)c1
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(OC)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)\C=C\c1ccc(OC)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
COc1ccc(\C=C\C(=O)N[C@@H](C)C(O)=O)c2cc(oc12)-c1ccc(O)c(O)c1 |r|
COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(OC)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
COC(=O)[C@H](C)NC(=O)\C=C\c1ccc(OC)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
COc1ccc(\C=C\C(=O)N[C@H](Cc2ccc(O)c(O)c2)C(O)=O)c2cc(oc12)-c1ccc(O)c(O)c1 |r|
COc1ccc(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(O)=O)c2cc(oc12)-c1ccc(O)c(O)c1 |r|
COc1ccc(\C=C\C(=O)N[C@@H](Cc2ccc(O)cc2)C(O)=O)c2cc(oc12)-c1ccc(O)c(O)c1 |r|
COC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(OC)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)\C=C\c1ccc(OC)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
COc1ccc(\C=C\C(=O)N[C@@H](Cc2ccc(O)c(O)c2)C(O)=O)c2cc(oc12)-c1ccc(O)c(O)c1 |r|
COc1ccc(\C=C\C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(O)=O)c2cc(oc12)-c1ccc(O)c(O)c1 |r|
O=Cc1ccc(OCc2cn(Cc3ccc4C(=O)c5ccccc5C(=O)c4c3)nn2)cc1
COc1cc(C=O)cc(OC)c1OCc1cn(Cc2ccc3C(=O)c4ccccc4C(=O)c3c2)nn1
O=Cc1cccc(OCc2cn(Cc3ccc4C(=O)c5ccccc5C(=O)c4c3)nn2)c1
O=Cc1ccccc1OCc1cn(Cc2ccc3C(=O)c4ccccc4C(=O)c3c2)nn1
Fc1ccc(OCc2cn(Cc3ccc4C(=O)c5ccccc5C(=O)c4c3)nn2)c(C=O)c1
Clc1ccc(OCc2cn(Cc3ccc4C(=O)c5ccccc5C(=O)c4c3)nn2)c(C=O)c1
Fc1ccc(C=O)c(OCc2cn(Cc3ccc4C(=O)c5ccccc5C(=O)c4c3)nn2)c1
CCCCCCn1cc(COc2ccc(F)cc2C=O)nn1
COc1ccc(Nc2ncnc3OC4=C(C(c5ccc(F)cc5)c23)C(=O)CCC4)cc1 |c:13|
COc1ccc(Nc2ncnc3OC4=C(C(c5cccc(Cl)c5)c23)C(=O)CCC4)cc1 |c:13|
COc1ccc(Nc2ncnc3OC4=C(C(c5ccc(Cl)cc5)c23)C(=O)CCC4)cc1 |c:13|
COc1ccc(Nc2ncnc3OC4=C(C(c5cccc(c5)[N+]([O-])=O)c23)C(=O)CCC4)cc1 |c:13|
COc1ccc(Nc2ncnc3OC4=C(C(c5ccc(cc5)[N+]([O-])=O)c23)C(=O)CCC4)cc1 |c:13|
COc1ccc(Nc2ncnc3Oc4c(C(c5ccc(OC)cc5)c23)c2ccccc2oc4=O)cc1
COc1ccc(Nc2ncnc3Oc4c(C(c5ccccc5OC)c23)c2ccccc2oc4=O)cc1
COc1ccc(Nc2ncnc3Oc4c(C(c5ccc(OC)c(OC)c5)c23)c2ccccc2oc4=O)cc1
COc1ccc(Nc2ncnc3Oc4c(C(c5ccc(O)cc5)c23)c2ccccc2oc4=O)cc1
COc1ccc(Nc2ncnc3Oc4c(C(c5cccc(O)c5)c23)c2ccccc2oc4=O)cc1
COc1ccc(Nc2ncnc3Oc4c(C(c5ccc(O)c(O)c5)c23)c2ccccc2oc4=O)cc1
COc1ccc(Nc2ncnc3Oc4c(C(c5cccc(C)c5)c23)c2ccccc2oc4=O)cc1
COc1ccc(Nc2ncnc3Oc4c(C(c5ccc(O)c(OC)c5)c23)c2ccccc2oc4=O)cc1
COc1ccc(Nc2ncnc3Oc4n[nH]c(C)c4C(c4ccc(O)c(O)c4)c23)cc1
COc1ccc(Nc2ncnc3OC4=C(C(c5ccc(O)c(O)c5)c23)C(=O)CCC4)cc1 |c:13|
COc1ccc(Nc2ncnc3OC4=C(C(c5ccc(OC)c(OC)c5)c23)C(=O)CCC4)cc1 |c:13|
COc1ccc(Nc2ncnc3Oc4c(C(c5ccc(cc5)[N+]([O-])=O)c23)c2ccccc2oc4=O)cc1
COc1ccc(Nc2ncnc3Oc4c(C(c5cc(OC)c(OC)c(OC)c5)c23)c2ccccc2oc4=O)cc1
COc1ccc(Nc2ncnc3OC4=C(C(c5ccccc5OC)c23)C(=O)CCC4)cc1 |c:13|
COc1ccc(Nc2ncnc3Oc4c(C(c5ccccc5)c23)c2ccccc2oc4=O)cc1
COc1ccc(Nc2ncnc3OC4=C(C(c5cccc(O)c5)c23)C(=O)CCC4)cc1 |c:13|
COc1ccc(Nc2ncnc3Oc4c(C(c5cccc(Cl)c5)c23)c2ccccc2oc4=O)cc1
COc1ccc(Nc2ncnc3OC4=C(C(c5ccc(O)cc5)c23)C(=O)CCC4)cc1 |c:13|
COc1ccc(Nc2ncnc3OC4=C(C(c5cccc(C)c5)c23)C(=O)CCC4)cc1 |c:13|
COc1ccc(Nc2ncnc3Oc4n[nH]c(C)c4C(c4ccc(OC)c(OC)c4)c23)cc1
COc1ccc(Nc2ncnc3OC4=C(C(c5ccc(Br)cc5)c23)C(=O)CCC4)cc1 |c:13|
COc1ccc(Nc2ncnc3Oc4c(C(c5ccc(F)cc5)c23)c2ccccc2oc4=O)cc1
COc1ccc(Nc2ncnc3OC4=C(C(c5ccccc5)c23)C(=O)CCC4)cc1 |c:13|
COc1ccc(Nc2ncnc3OC4=C(C(c5ccc(O)c(OC)c5)c23)C(=O)CCC4)cc1 |c:13|
COc1ccc(Nc2ncnc3Oc4c(C(c5cccc(c5)[N+]([O-])=O)c23)c2ccccc2oc4=O)cc1
COc1ccc(Nc2ncnc3OC4=C(C(c5cc(OC)c(OC)c(OC)c5)c23)C(=O)CCC4)cc1 |c:13|
COc1ccc(Nc2ncnc3Oc4c(C(c5ccc(Br)cc5)c23)c2ccccc2oc4=O)cc1
COc1ccc(Nc2ncnc3Oc4n[nH]c(C)c4C(c4ccc(O)c(OC)c4)c23)cc1
COc1ccc(Nc2ncnc3OC4=C(C(c5ccc(OC)cc5)c23)C(=O)CCC4)cc1 |c:13|
COc1ccc(Nc2ncnc3Oc4c(C(c5ccc(Cl)cc5)c23)c2ccccc2oc4=O)cc1
CCOc1ccc(\C=N\NC(=O)c2cccnc2)cc1
CCOc1cccc(\C=N\NC(=O)c2ccncc2)c1O
Oc1cc(O)cc(\C=N\NC(=O)c2cccnc2)c1
[O-][N+](=O)c1cccc(\C=N\NC(=O)c2cccnc2)c1
O=C(N\N=C\c1ccccc1)c1cccnc1
c1cc(cnc1)C(=O)O
COc1cccc(\C=N\NC(=O)c2ccncc2)c1O
Oc1ccc(\C=N\NC(=O)c2ccncc2)cc1O
Oc1cc(O)c(\C=N\NC(=O)c2ccncc2)c(O)c1
Oc1ccc(\C=N\NC(=O)c2cccnc2)cc1O
Clc1ccc(\C=N\NC(=O)c2ccncc2)cc1
CCOc1cccc(\C=N\NC(=O)c2cccnc2)c1O
CCOc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Oc1ccc(\C=N\NC(=O)c2cccnc2)cc1
[O-][N+](=O)c1cccc(\C=N\NC(=O)c2ccncc2)c1
Cc1ccccc1\C=N\NC(=O)c1cccnc1
Clc1ccc(\C=N\NC(=O)c2cccnc2)cc1
Clc1cccc(\C=N\NC(=O)c2cccnc2)c1
Fc1ccccc1\C=N\NC(=O)c1cccnc1
Brc1ccccc1\C=N\NC(=O)c1cccnc1
COc1cccc(\C=N\NC(=O)c2cccnc2)c1O
Clc1cccc(\C=N\NC(=O)c2ccncc2)c1