484 SMILES Strings for Metabotropic glutamate receptor 7

Compound Name
SMILES String
C1Cc2[nH]ncc2-c2nc(Nc3ccccn3)sc2C1
C1Cc2[nH]ncc2-c2nc(Nc3ncccn3)sc2C1
C1Cc2sc(Nc3ccccn3)nc2-c2cn[nH]c12
CC(=O)N1CCCn2nc(COc3ccccc3)cc12
CC(=O)Nc1cnc(nc1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C
CC(=O)Nc1cnc(nc1)-n1ncc2CC(CCc2c1=O)c1cccc(OC2CC2)c1C
CC(=O)Nc1cnc(nc1)-n1ncc2C[C@@H](CCc2c1=O)c1ccc(C)cc1C |r|
CC(=O)Nc1cnc(nc1)-n1ncc2C[C@H](CCc2c1=O)c1ccc(C)cc1C |r|
CC(=O)c1ccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c(C)c1
CC(=O)c1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1C
CC(C)C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CC(C)Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
CC(C)Oc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
CC(C)Oc1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1C
CC(C)Oc1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
CC(C)n1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccccc1
CC(O)c1cccc(c1)C1CCc2c(C1)cnn(-c1ccccn1)c2=O
CC(Oc1ccc(cc1)C(O)P(O)(=O)CC[C@@H](N)C(O)=O)C(O)=O |r|
CC1CN(CCO1)c1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
CCCCCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CCCOc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
CCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CCCc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
CCOC(=O)C12CC1C(N=O)c1ccccc1O2
CCOC(=O)c1ccc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1OC
CCOC(=O)c1cnc2c(OC)cc(OC)cc2c1-c1ccc(nc1)-c1ccccc1OC
CCOC(=O)c1cnc2c(OC)cc(OC)cc2c1-c1ccc(nc1)-c1ccccc1OCC
CCOC(=O)c1cnc2c(OC)cc(OC)cc2c1N1CCN(CC1)c1ccccc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1-c1cc(F)c(nc1OC)-c1ccccc1OC |(3.32,-28.48,;4.65,-27.71,;5.99,-28.49,;7.32,-27.72,;7.33,-26.18,;8.66,-28.51,;8.65,-30.05,;9.98,-30.82,;11.33,-30.04,;12.65,-30.8,;12.65,-32.34,;13.98,-33.12,;13.97,-30.04,;13.96,-28.5,;12.64,-27.74,;11.33,-28.51,;10,-27.74,;10,-26.2,;8.68,-25.44,;8.68,-23.9,;7.35,-23.13,;10.02,-23.13,;11.35,-23.9,;11.35,-25.44,;12.67,-26.22,;14,-25.46,;10.01,-21.58,;11.35,-20.82,;11.35,-19.26,;10.01,-18.5,;8.68,-19.27,;8.68,-20.82,;7.34,-21.58,;6.01,-20.81,)|
CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(cc1)-c1ccccc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(cn1)-c1ccccc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(nc1)-c1cc(F)cnc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(nc1)-c1ccccc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(nc1)-c1ccccc1OC(C)C
CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(nc1)-c1ccccc1OCC
CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(nc1)-c1ccccc1SC
CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccn(Cc2ccccc2OC)c1
CCOC(=O)c1cnc2c(OC)cccc2c1-c1cnc(c(OC)c1)-c1ccccc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1-c1cnc(cn1)-c1ccccc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1-c1cnc(nc1)-c1ccccc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1C1=CCN(CC1)c1ccccc1OC |t:19|
CCOC(=O)c1cnc2c(OC)cccc2c1C1C2CC1CN(C2)c1ccccc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1C1CC2CC(C1)N2c1ccccc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1C1CCN(CC1)c1ccccc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1N(C)CCN(C)c1ccccc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1N1CC2(CN(C2)c2ccccc2OC)C1
CCOC(=O)c1cnc2c(OC)cccc2c1N1CC2CN(CC2C1)c1ccccc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(C(C)C1)c1ccccc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1c(OC)cccc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1cc(F)ccc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccc(OC)cc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1C
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1C#N
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1Cl
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1F
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1OC(C)C
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1OC(F)(F)F
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1OCC
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1SC
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1cccnc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1cccs1
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccnn1C
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1cncs1
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1nccnc1OC
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1C)c1ccccc1OC
CCOC(=O)c1cnc2ccccc2c1N1CCN(CC1)c1ccccc1OC
CCOC(=O)c1cnc2ccsc2c1N1CCN(CC1)c1ccccc1OC
CCOC(=O)c1cnc2sccc2c1N1CCN(CC1)c1ccccc1OC
CCOC(=O)c1cnccc1N1CCN(CC1)c1ccccc1OC
CCOc1cc(ccc1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|
CCOc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
CCOc1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1C
CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CCc1nc2c(CC(CC2=O)c2ccc(C)cc2C)o1
CCc1nn2c(cc(C)nc2c1-c1cc(F)c(OC(F)F)cc1F)C(F)(F)F |(25.69,-48.74,;24.92,-50.08,;23.38,-50.09,;22.48,-48.85,;21.02,-49.33,;19.69,-48.56,;18.36,-49.33,;18.36,-50.87,;17.03,-51.64,;19.69,-51.64,;21.03,-50.86,;22.49,-51.33,;22.97,-52.79,;21.94,-53.94,;22.43,-55.4,;21.4,-56.55,;23.94,-55.71,;24.42,-57.17,;23.4,-58.33,;23.88,-59.79,;21.89,-58.02,;24.96,-54.56,;24.47,-53.1,;25.5,-51.95,;19.69,-47.02,;21.03,-46.24,;18.36,-46.24,;19.68,-45.48,)|
CCc1nn2c(cc(C)nc2c1-c1ccc(OC(F)F)cc1F)C(F)(F)F |(53.47,-48.39,;52.7,-49.73,;51.16,-49.74,;50.26,-48.5,;48.8,-48.99,;47.47,-48.21,;46.14,-48.99,;46.14,-50.53,;44.81,-51.3,;47.47,-51.29,;48.81,-50.52,;50.27,-50.98,;50.75,-52.45,;49.72,-53.6,;50.21,-55.06,;51.72,-55.37,;52.2,-56.83,;51.18,-57.99,;49.67,-57.67,;51.67,-59.45,;52.74,-54.21,;52.25,-52.75,;53.28,-51.6,;47.47,-46.67,;48.8,-45.9,;46.13,-45.9,;47.45,-45.13,)|
CCc1nn2c(cc(C)nc2c1-c1ccc(OC)c(F)c1F)C(F)(F)F |(39.73,-48.22,;38.96,-49.56,;37.42,-49.57,;36.52,-48.33,;35.06,-48.81,;33.73,-48.04,;32.4,-48.81,;32.4,-50.35,;31.07,-51.12,;33.73,-51.12,;35.07,-50.34,;36.53,-50.81,;37.01,-52.27,;35.98,-53.42,;36.47,-54.88,;37.98,-55.19,;38.46,-56.65,;37.44,-57.81,;39,-54.04,;40.51,-54.34,;38.52,-52.58,;39.54,-51.43,;33.73,-46.5,;35.07,-45.72,;32.4,-45.72,;33.72,-44.96,)|
CCc1nn2c(cc(C)nc2c1-c1ccc(OC)cc1)C(F)(F)F
CCn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccccc1
CN(C)c1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
CN(C)c1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1C
CN(C)c1cccc(c1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
CN(C)c1cccc(c1)C1CCc2c(C1)cnn(-c1ccccn1)c2=O
CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
CN1CCc2c1cccc2C1CCc2c(C1)cnn(-c1ccccn1)c2=O
CN1CCc2c1cccc2C1CCc2c(C1)cnn(-c1ncccn1)c2=O
CN1CCc2nc(COc3ccccc3)sc2C1=O
CNc1ncc(cn1)C#Cc1ccccc1
COC(=O)c1ccc(cc1)-n1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C
COCCCOc1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1C
COCCOc1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1C
COCCOc1cnc(nc1)-n1ncc2CC(CCc2c1=O)c1cccc(OC)c1C
COCc1ccc(nc1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C
COCc1cccc(c1)C1CCc2c(C1)cnn(-c1ncccn1)c2=O
COc1c(C)cccc1C1CCc2c(C1)cnn(-c1ccccn1)c2=O
COc1c(C)cccc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O
COc1c(F)c(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
COc1c(F)ccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
COc1cc(C)ccc1C1CCc2c(C1)cnn(-c1ccccn1)c2=O
COc1cc(C)ccc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O
COc1cc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c(C)cc1C
COc1cc(CP(O)(=O)CC[C@@H](N)C(O)=O)cc(Cl)c1OCC(O)=O |r|
COc1cc(CP(O)(=O)CC[C@@H](N)C(O)=O)cc(F)c1OCC(O)=O |r|
COc1cc(F)c(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1 |(75.94,-28.33,;76.96,-27.18,;76.48,-25.72,;74.97,-25.41,;74.49,-23.95,;72.98,-23.63,;75.51,-22.79,;75.03,-21.33,;75.93,-20.09,;77.47,-20.08,;75.01,-18.86,;73.56,-19.33,;72.23,-18.56,;70.9,-19.33,;70.9,-20.87,;69.56,-21.65,;72.23,-21.64,;73.57,-20.87,;72.23,-17.02,;73.56,-16.25,;70.89,-16.25,;72.21,-15.48,;77.01,-23.11,;78.04,-21.95,;77.51,-24.56,)|
COc1cc(F)c(-c2noc(n2)-c2cc(Cl)ccc2-n2cncn2)c(F)c1OC
COc1cc(F)c(CCCNc2cc(Cl)ccc2-n2cncn2)cc1OC
COc1cc(F)c(CCCNc2cc(OC(F)(F)F)ccc2-n2cncn2)cc1OC
COc1cc(F)c(OCCNc2cc(Cl)ccc2-n2cncn2)cc1OC
COc1cc(F)c(OCCNc2cc(OC(F)(F)F)ccc2-n2cncn2)cc1OC
COc1cc(F)c(cc1Cl)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F |(37.17,-44.14,;38.18,-42.98,;37.7,-41.52,;38.73,-40.37,;38.23,-38.91,;39.26,-37.76,;36.73,-38.6,;35.71,-39.75,;36.19,-41.21,;35.16,-42.36,;36.25,-37.14,;37.15,-35.9,;38.69,-35.89,;36.24,-34.66,;34.78,-35.14,;33.45,-34.37,;32.12,-35.14,;32.12,-36.68,;30.79,-37.46,;33.45,-37.45,;34.79,-36.67,;33.45,-32.83,;34.79,-32.05,;32.12,-32.05,;33.44,-31.28,)|
COc1cc(F)c(cc1F)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F |(24.3,-44,;25.32,-42.84,;24.84,-41.38,;25.87,-40.23,;25.37,-38.77,;26.4,-37.61,;23.87,-38.46,;22.85,-39.61,;23.33,-41.07,;22.3,-42.22,;23.39,-36.99,;24.29,-35.75,;25.83,-35.74,;23.38,-34.52,;21.92,-35,;20.59,-34.22,;19.26,-35,;19.26,-36.54,;17.92,-37.31,;20.59,-37.3,;21.93,-36.53,;20.59,-32.68,;21.92,-31.91,;19.25,-31.91,;20.57,-31.14,)|
COc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
COc1cc(NC(=O)c2ccccn2)ccc1Cl
COc1cc(OCC(=O)Nc2cc(OC(F)(F)F)ccc2-n2cncn2)ccc1OC1COC1
COc1cc(cc(Cl)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|
COc1cc(cc(F)c1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1
COc1cc(cc(F)c1OC)-c1noc(n1)-c1cc(Cl)ccc1-n1cncn1
COc1cc(cc(F)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|
COc1cc(cc(I)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|
COc1cc(cc(OC)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|
COc1cc(cc(c1O)[N+]([O-])=O)C(=O)P(O)(O)CC[C@H](N)C(O)=O |r|
COc1cc(cc(c1O)[N+]([O-])=O)[C@@H](O)P(O)(=O)CC[C@H](N)C(O)=O |r|
COc1cc(cc(c1O)[N+]([O-])=O)[C@H](O)P(O)(=O)CC[C@H](N)C(O)=O |r|
COc1cc(cc(c1OCC(O)=O)[N+]([O-])=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|
COc1cc(ccc1C)C1CCc2c(C1)cnn(-c1ccccn1)c2=O
COc1cc(ccc1F)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1
COc1cc(ccc1OC(C)C)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
COc1cc(ccc1OC1CC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
COc1cc(ccc1OC1CCC1)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1
COc1cc(ccc1OC1CCC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
COc1cc(ccc1OC1CCCC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
COc1cc(ccc1OCC(C)(C)C)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
COc1cc(ccc1OCC(C)C)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
COc1cc(ccc1OCC(F)(F)F)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
COc1cc(ccc1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|
COc1cc(ccc1OCC1CC1)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1
COc1cc(ccc1OCC1CC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
COc1cc(ccc1OCC1CCC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
COc1cc(ccc1OCC1CCCC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
COc1cc(ccc1OCc1ccccc1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
COc1cc(cnc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1
COc1ccc(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1 |(62.43,-27.8,;63.45,-26.65,;62.96,-25.18,;61.45,-24.87,;60.97,-23.41,;62,-22.26,;61.51,-20.8,;62.41,-19.56,;63.95,-19.55,;61.5,-18.32,;60.04,-18.8,;58.71,-18.03,;57.38,-18.8,;57.38,-20.34,;56.05,-21.12,;58.71,-21.11,;60.05,-20.33,;58.71,-16.49,;60.05,-15.71,;57.38,-15.71,;58.7,-14.95,;63.5,-22.57,;64.52,-21.42,;63.99,-24.03,)|
COc1ccc(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1F |(9.45,-43.77,;10.47,-42.62,;9.99,-41.15,;8.48,-40.84,;7.99,-39.38,;9.02,-38.23,;8.54,-36.77,;9.43,-35.53,;10.97,-35.52,;8.53,-34.29,;7.07,-34.77,;5.74,-34,;4.41,-34.77,;4.41,-36.31,;3.08,-37.09,;5.74,-37.08,;7.08,-36.3,;5.74,-32.46,;7.08,-31.68,;4.41,-31.68,;5.73,-30.92,;10.52,-38.54,;11.55,-37.39,;11.01,-40,;12.52,-40.31,)|
COc1ccc(-c2nnc(o2)-c2cc(OC(F)(F)F)ccc2-n2cncn2)c(F)c1F
COc1ccc(-c2noc(n2)-c2cc(Cl)cc(F)c2-n2cncn2)c(F)c1OC
COc1ccc(-c2noc(n2)-c2cc(Cl)ccc2-n2cncn2)c(F)c1OC
COc1ccc(C)c(c1)C1CCc2c(C1)cnn(-c1ccccn1)c2=O
COc1ccc(C)c(c1)C1CCc2c(C1)cnn(-c1ncc(C)cn1)c2=O
COc1ccc(C)c(c1)C1CCc2c(C1)cnn(-c1ncc(Cl)cn1)c2=O
COc1ccc(C)c(c1)C1CCc2c(C1)cnn(-c1ncc(cn1)C1CC1)c2=O
COc1ccc(C)c(c1)C1CCc2c(C1)cnn(-c1ncccn1)c2=O
COc1ccc(C)cc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O
COc1ccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c(C)c1
COc1ccc(CCCNc2cc(Cl)ccc2-n2cncn2)cc1OC
COc1ccc(CCCNc2cc(OC(F)(F)F)ccc2-n2cncn2)cc1OC
COc1ccc(CNc2cc(Cl)ccc2-n2cncn2)cc1OC
COc1ccc(CNc2cc(OC(F)(F)F)ccc2-n2cncn2)cc1OC
COc1ccc(Cl)c(c1)C1CCc2c(C1)cnn(-c1ncccn1)c2=O
COc1ccc(F)c(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1F
COc1ccc(F)c(c1)C1CCc2c(C1)cnn(-c1ncccn1)c2=O
COc1ccc(F)c2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
COc1ccc(c(c1)C1CCc2c(C1)cnn(-c1ncccn1)c2=O)C(F)(F)F
COc1ccc(cc1)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F
COc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
COc1ccc(cc1)-c1cc2onc(-c3ccncc3)c2c(=O)n1C
COc1ccc(cc1)-c1noc2cc(-c3ccccc3)n(C)c(=O)c12
COc1ccc(cc1)C1CCc2c(C1)cnn(-c1ccccn1)c2=O
COc1ccc(cc1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1)C(O)=O
COc1ccc(cc1Br)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
COc1ccc(cc1C)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F
COc1ccc(cc1Cl)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F
COc1ccc(cc1F)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F
COc1ccc(cc1F)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
COc1ccc(cc1F)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1
COc1ccc(cc1OC)-c1cnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1
COc1ccc(cc1OC)-c1coc(n1)-c1cc(Cl)ccc1-n1cncn1
COc1ccc(cc1OC)-c1coc(n1)-c1cc(OC(F)(F)F)ccc1-n1cncn1
COc1ccc(cc1OC)-c1nc(no1)-c1cc(OC(F)(F)F)ccc1-n1cncn1
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(Cl)ccc1-c1ccnn1C
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(Cl)ccc1-c1cn[nH]c1
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-c1cccnc1
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-c1ccnn1C
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-c1cn[nH]c1
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-c1cnn(C)c1
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-c1cscn1
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cccn1
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1ccnc1
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1N1CCCC1
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1N1CCCCC1
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1N1CCN(C)CC1
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1N1CCOCC1
COc1ccc(cc1OC)-c1noc(n1)-c1cc(Cl)c(F)cc1-n1cncn1
COc1ccc(cc1OC)-c1noc(n1)-c1cc(Cl)ccc1-n1cncn1
COc1ccc(cc1OC)-c1noc(n1)-c1cc(OC(F)(F)F)ccc1-n1cncn1
COc1ccc(cc1OC)C(=O)Nc1cc(Cl)ccc1-n1cncn1
COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
COc1ccc(cc1[N+]([O-])=O)[C@@H](O)P(O)(=O)CC[C@H](N)C(O)=O |r|
COc1ccc(cc1[N+]([O-])=O)[C@H](O)P(O)(=O)CC[C@H](N)C(O)=O |r|
COc1ccc(cn1)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1
COc1ccc(nc1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C
COc1cccc(C2CCc3c(C2)cnn(-c2ccc(CO)cn2)c3=O)c1C
COc1cccc(C2CCc3c(C2)cnn(-c2ccc(O)cn2)c3=O)c1C
COc1cccc(C2CCc3c(C2)cnn(-c2ccc(cn2)C2CC2)c3=O)c1C
COc1cccc(C2CCc3c(C2)cnn(-c2ccc(cn2)N2CCOCC2)c3=O)c1C
COc1cccc(C2CCc3c(C2)cnn(-c2ccccn2)c3=O)c1C
COc1cccc(C2CCc3c(C2)cnn(-c2ncc(C)cn2)c3=O)c1C
COc1cccc(C2CCc3c(C2)cnn(-c2ncc(C)cn2)c3=O)c1Cl
COc1cccc(C2CCc3c(C2)cnn(-c2ncc(Cl)cn2)c3=O)c1C
COc1cccc(C2CCc3c(C2)cnn(-c2ncc(O)cn2)c3=O)c1C
COc1cccc(C2CCc3c(C2)cnn(-c2ncc(OCCO)cn2)c3=O)c1C
COc1cccc(C2CCc3c(C2)cnn(-c2ncc(cn2)C2CC2)c3=O)c1C
COc1cccc(C2CCc3c(C2)cnn(-c2ncc(cn2)N2CCCC2)c3=O)c1C
COc1cccc(C2CCc3c(C2)cnn(-c2ncc(cn2)N2CCOCC2)c3=O)c1C
COc1cccc(C2CCc3c(C2)cnn(-c2nccc(n2)N2CCOCC2)c3=O)c1C
COc1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1C
COc1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1Cl
COc1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1F
COc1cccc([C@@H]2CCc3c(C2)cnn(-c2ncc(C)cn2)c3=O)c1Cl |r|
COc1cccc([C@H]2CCc3c(C2)cnn(-c2ncc(C)cn2)c3=O)c1Cl |r|
COc1cccc(c1)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F
COc1cccc(c1)-c1noc2cc(-c3ccccc3)n(C)c(=O)c12
COc1cccc(c1)C1CCc2c(C1)cnn(-c1ccccn1)c2=O
COc1cccc(n1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C
COc1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
COc1ccccc1-c1c(C)nn2c(cc(C)nc12)C(F)(F)F |(18.61,-25.02,;19.64,-23.87,;21.15,-24.18,;21.63,-25.65,;23.14,-25.96,;24.17,-24.8,;23.67,-23.35,;22.17,-23.03,;21.69,-21.57,;22.59,-20.33,;24.13,-20.32,;21.68,-19.09,;20.22,-19.57,;18.89,-18.8,;17.56,-19.57,;17.56,-21.11,;16.23,-21.89,;18.89,-21.88,;20.23,-21.11,;18.89,-17.26,;20.23,-16.49,;17.56,-16.49,;18.88,-15.72,)|
COc1ccccc1-c1noc2cc(-c3ccccc3)n(C)c(=O)c12
COc1ccccc1C1CCc2c(C1)cnn(-c1ccccn1)c2=O
COc1cccnc1-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C
COc1ccnc(c1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C
COc1ccnc(n1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C
COc1ccnc(n1)-n1ncc2CC(CCc2c1=O)c1cccc(OC)c1C
COc1cnc(nc1)-n1ncc2CC(CCc2c1=O)c1cc(OC)ccc1C
COc1cnc(nc1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C
COc1cnc(nc1)-n1ncc2CC(CCc2c1=O)c1cccc(OC)c1C
COc1nc(ncc1C)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C
CP(O)(=O)CC[C@H](N)C(O)=O
CS(=O)(=O)c1ccc(cc1)C(O)P(O)(=O)CC[C@H](N)C(O)=O |r|
C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C |r|
C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O
C[C@H]1CN(Cc2cc3nc(cc(-c4ccc(F)cc4)c3s2)C(N)=O)C[C@@H](C)O1 |r|
Cc1c(OC2CC2)cccc1C1CCc2c(C1)cnn(-c1ncc(Br)cn1)c2=O
Cc1c(OC2CC2)cccc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O
Cc1c(OC2CC2)cccc1[C@@H]1CCc2c(C1)cnn(-c1ncccn1)c2=O |r|
Cc1c(OC2CC2)cccc1[C@H]1CCc2c(C1)cnn(-c1ncccn1)c2=O |r|
Cc1c(OCC2CC2)cccc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O
Cc1c(OCc2ccccc2)cccc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O
Cc1cc(C)c(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c(C)c1
Cc1cc(Cl)ccc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O
Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1NC(=O)c1ccc(Cl)o1 |t:7|
Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1NC(=O)c1ccco1 |t:7|
Cc1cc(cc(C)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|
Cc1ccc(C)c(c1)C1CCc2c(C1)cnn(-c1ncccn1)c2=O
Cc1ccc(C2CCc3c(C2)cnn(-c2cc(Cl)ccn2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2cc(F)ccn2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2cc(O)ccn2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2cc(ccn2)C#N)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ccc(Cl)cn2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ccc(F)cn2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ccc(O)cn2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ccc(cn2)C#N)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ccc(cn2)C2CC2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ccc(cn2)N2CCOCC2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2cccc(C)n2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2cccc(F)n2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2cccc(n2)C#N)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ccccn2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2cccnc2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ccncc2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2cn(C)cn2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2cnccn2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2cscn2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2nc(C)cc(C)n2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(C)cn2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(CN4CCOCC4)cn2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(Cl)cn2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(F)cn2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(cn2)C(F)(F)F)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(cn2)C2CC2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(cn2)N2CCC2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(cn2)N2CCOCC2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2nccc(n2)C2CC2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ncccc2C#N)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ncccc2C)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ncccc2Cl)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ncccc2F)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c(Cl)c1
Cc1ccc(C2CCc3c(C2)cnn(-c2nccs2)c3=O)c(C)c1
Cc1ccc(C2CCc3c(C2)ncn(-c2ccccn2)c3=O)c(C)c1
Cc1ccc(C2Cc3cnn(-c4ccccn4)c(=O)c3C2)c(C)c1
Cc1ccc(O)c(N=Nc2ccccc2)n1 |w:7.6|
Cc1ccc(OC2CC2)cc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O
Cc1ccc([C@@H]2CCc3c(C2)cnn(-c2ccccn2)c3=O)c(C)c1 |r|
Cc1ccc([C@H]2CCc3c(C2)cnn(-c2ccccn2)c3=O)c(C)c1 |r|
Cc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
Cc1ccc(cc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O)N1CCCC1
Cc1ccc(nc1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C
Cc1ccc2n(C)ncc2c1C1CCc2c(C1)cnn(-c1ncccn1)c2=O
Cc1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1C
Cc1cccc(\C=C\c2ccccc2)n1
Cc1cccc(c1)C#Cc1ncccn1
Cc1cccc(n1)C#Cc1ccccc1
Cc1ccnc(c1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C
Cc1ccoc1C(=O)Nc1c(F)cc(N2C(=O)c3ccccc3C2=O)c(F)c1F
Cc1ccoc1C(=O)Nc1cc(C)c(cc1F)N1C(=O)c2ccccc2C1=O
Cc1ccoc1C(=O)Nc1cc(F)c(N2C(=O)c3cccc(Cl)c3C2=O)c(F)c1F
Cc1ccoc1C(=O)Nc1cc(F)c(N2C(=O)c3cccc(F)c3C2=O)c(F)c1F
Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)C2=C(CCCC2)C1=O |t:22|
Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)c2ccc(C)cc2C1=O
Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)c2cccc(Cl)c2C1=O
Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)c2cccc(F)c2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(C)cc2C1=O
Cc1cnc(nc1)-n1ncc2CC(CCc2c1=O)c1cccc(OC2CC2)c1C
Cc1cnc(nc1)-n1ncc2C[C@@H](CCc2c1=O)c1cccc(OC2CC2)c1C |r|
Cc1cnc(nc1)-n1ncc2C[C@H](CCc2c1=O)c1cccc(OC2CC2)c1C |r|
Cc1nc(cs1)C(=O)Nc1cc(F)c(cc1C)N1C(=O)C2=C(CCCC2)C1=O |t:22|
Cc1nn2c(cc(C)nc2c1-c1ccc(OC(F)F)cc1)C(F)(F)F
Cc1o[nH]c(=O)c1CC[C@@H](N)C(O)=O
Cc1o[nH]c(=O)c1CC[C@H](N)C(O)=O
Cc1sc(Nc2nccc(C)n2)nc1-c1cn[nH]c1
Clc1c(OC2CC2)cccc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O
Clc1c(OC2CC2)cccc1[C@@H]1CCc2c(C1)cnn(-c1ncccn1)c2=O |r|
Clc1c(OC2CC2)cccc1[C@H]1CCc2c(C1)cnn(-c1ncccn1)c2=O |r|
Clc1cc(Br)cc(NC(=O)[C@@H]2CSCCC(=O)N2)c1 |r|
Clc1ccc(Oc2ccc(NC(=O)c3ccccn3)cc2Cl)nc1
Clc1cccc(NC(=O)c2ccccn2)c1
Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc(F)cc1
Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc2OCOc2c1
Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1cccc(c1)C(F)(F)F
Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccccc1
Cn1c(cc2onc(-c3ccccn3)c2c1=O)-c1ccccc1
Cn1c(cc2onc(-c3cccnc3)c2c1=O)-c1ccccc1
Cn1c(cc2onc(-c3ccncc3)c2c1=O)-c1ccccc1
Cn1ccc(COc2cnc(cc2-c2ccc(F)cc2)C(N)=O)n1
FC(F)(F)Oc1ccc(c(c1)-c1nnc(o1)-c1ccc2OC(F)(F)Oc2c1)-n1cncn1
FC(F)(F)Oc1ccc(c(c1)-c1nnc(o1)-c1ccc2OCCOc2c1)-n1cncn1
FC(F)(F)Oc1ccc(c(c1)-c1nnc(o1)-c1ccc2OCOc2c1)-n1cncn1
FC(F)Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
FC(F)Oc1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
Fc1cc(NC(=O)Nc2ccc(Cl)cn2)cc(c1)C#N
Fc1cc(OC2CCC2)c2ncc(C#N)c(N3CCN(CC3)c3ccccc3F)c2c1
Fc1cc(OC2CCOC2)c2ncc(C#N)c(N3CCN(CC3)c3ccccc3F)c2c1
Fc1cc(OCC2CCOC2)c2ncc(C#N)c(N3CCN(CC3)c3ccccc3F)c2c1
Fc1ccc(cc1)-n1ccc2nc(COc3ccccc3)cn2c1=O
Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O
Fc1ccc(cc1)N1CCn2nc(OCc3ccccc3)cc2C1=O
Fc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(OC3CCC3)cccc12)C#N
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(OC3CCOC3)cccc12)C#N
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(OCC3CCOC3)cccc12)C#N
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)-n1cccn1)C#N
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)-n1ccnc1)C#N
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)-n1cncn1)C#N
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCC(F)(F)CC1)C#N
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCCC1)C#N
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCCCC1)C#N
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCOCC1)C#N
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1
NC(=O)c1cc(-c2ccc(F)cc2)n2nc(COc3ccnc(c3)C(F)(F)F)cc2n1
NC(C(O)=O)c1ccc(cc1)P(O)(O)=O
NC(CC1c2ccccc2Oc2ccccc12)([C@H]1[C@H](CCc2ccccc2)[C@@H]1C(O)=O)C(O)=O
NC(CCP(O)(O)=O)C(O)=O
NC([C@@H]1[C@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O
NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
NC([C@H]1[C@@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
NC1(CC1(F)CP(O)(O)=O)C(O)=O
NCCC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
NCC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O
N[C@@H](CCC(O)=O)C(O)=O
N[C@@H](CCP(O)(=O)C(O)c1c(F)c(F)c(F)c(F)c1F)C(O)=O |r|
N[C@@H](CCP(O)(=O)C(O)c1cc(F)c(O)c(c1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)C(O)c1cc(O)c(O)c(c1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)C(O)c1ccc(Cl)c(c1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)C(O)c1ccc(F)c(c1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)C(O)c1ccc(N)cc1)C(O)=O |r|
N[C@@H](CCP(O)(=O)C(O)c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)C(O)c1ccc(O)c(c1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)cc1)C(O)=O |r|
N[C@@H](CCP(O)(=O)C(O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)C(O)c1ccc(c(c1)[N+]([O-])=O)C(F)(F)F)C(O)=O |r|
N[C@@H](CCP(O)(=O)C(O)c1ccc(cc1)C(O)=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)C(O)c1ccc(cc1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)C(O)c1ccc(o1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)C(O)c1ccc(s1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)C(O)c1cccc(c1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)C(O)c1csc(c1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)CC(Cl)C(O)=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)CCC(O)=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)Cc1cccc(c1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)[C@@H](O)c1cc(F)c(O)c(c1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)[C@@H](O)c1ccc(O)c(c1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)[C@@H](O)c1cccc(c1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)[C@H](O)c1cc(F)c(O)c(c1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)[C@H](O)c1ccc(O)c(c1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(=O)[C@H](O)c1cccc(c1)[N+]([O-])=O)C(O)=O |r|
N[C@@H](CCP(O)(O)=O)C(O)=O |r|
N[C@@H](CCP(O)(O)=S)C(O)=O
N[C@@H](CCP(O)=O)C(O)=O
N[C@@H](COP(O)(O)=O)C(O)=O
N[C@@H](C[C@@H](CC(O)=O)C(O)=O)C(O)=O |r|
N[C@@H](C[C@@H](CCC#N)C(O)=O)C(O)=O |r|
N[C@@H](C[C@@H](CCC(=O)NO)C(O)=O)C(O)=O |r|
N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
N[C@@H]([C@@H]1C[C@H]1P(O)(O)=O)C(O)=O
N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O
N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
N[C@@H]([C@H]1[C@@H](O)[C@@H]1C(O)=O)C(O)=O
N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
N[C@@]1(C[C@@H]1CP(O)(O)=O)C(O)=O
N[C@@]1(C[C@H]1CP(O)(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
N[C@H](C(O)=O)c1cc(O)cc(O)c1
N[C@H](C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O
N[C@H](CCC(O)=O)C(O)=O
N[C@H](CCP(O)(=O)C(O)c1cc(Cl)c(OCC(O)=O)c(Cl)c1)C(O)=O |r|
N[C@H](CCP(O)(=O)C(O)c1cc(F)c(OCC(O)=O)c(F)c1)C(O)=O |r|
N[C@H](CCP(O)(=O)C(O)c1ccc(CCC(O)=O)cc1)C(O)=O |r|
N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(O)c1)C(O)=O |r|
N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(OC(F)(F)F)c1)C(O)=O |r|
N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(c1)C(F)(F)F)C(O)=O |r|
N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(c1)C(O)=O)C(O)=O |r|
N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(c1)[N+]([O-])=O)C(O)=O |r|
N[C@H](CCP(O)(=O)C(O)c1ccc(OCP(O)(O)=O)cc1)C(O)=O |r|
N[C@H](CCP(O)(=O)C(O)c1ccc(SCC(O)=O)c(c1)[N+]([O-])=O)C(O)=O |r|
N[C@H](CCP(O)(=O)C(O)c1ccc(SCC(O)=O)cc1)C(O)=O |r|
N[C@H](CCP(O)(=O)Cc1ccc(OCC(O)=O)c(OC(F)(F)F)c1)C(O)=O |r|
N[C@H](CCP(O)(=O)Cc1ccc(OCC(O)=O)c(c1)C(F)(F)F)C(O)=O |r|
N[C@H](CCP(O)(=O)Cc1ccc(OCC(O)=O)cc1)C(O)=O |r|
N[C@H](CCP(O)(O)=O)C(O)=O |r|
N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O |r|
N[C@]1(COC2[C@@H](C12)C(O)=O)C(O)=O
N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
N[C@]1(CSC2[C@@H](C12)C(O)=O)C(O)=O
N[C@]1(CS[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
N[C@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
N[C@]1(C[C@@H]1CP(O)(O)=O)C(O)=O
N[C@]1(C[C@H]1CP(O)(O)=O)C(O)=O
O=C(C1CCC1)N1CCCC2(CCCCC2)C1
O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
O=C1CCCc2nc(sc12)C#Cc1ccccc1
O=C1CCOc2cc(COc3ccccc3)ccc12
O=C1CCOc2cc(OCc3ccccc3)ccc12
O=NC1[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccn1 |r|
O=c1c2CCC(Cc2cnn1-c1ccccn1)c1cccc(OC2CC2)c1
O=c1c2CCC(Cc2cnn1-c1ccccn1)c1cccc(c1)C1CC1
O=c1c2CCC(Cc2cnn1-c1ncccn1)c1cccc(OC2CC2)c1
O=c1c2CCC(Cc2cnn1-c1ncccn1)c1cccc(OC2CCCC2)c1
O=c1c2CCC(Cc2cnn1-c1ncccn1)c1cccc2N(CCc12)C1CC1
O=c1c2CCC(Cc2cnn1-c1ncccn1)c1cccc2n(ccc12)C1CC1
O=c1c2CC[C@@H](Cc2cnn1-c1ncccn1)c1cccc2n(ccc12)C1CC1 |r|
O=c1c2CC[C@H](Cc2cnn1-c1ncccn1)c1cccc2n(ccc12)C1CC1 |r|
OC(=O)CCP(O)(=O)CCC(=N)C(O)=O
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CC2)c3=O)c1
O[C@H]1CC[C@@H](CC1)n1ccc2cc(ccc12)-c1ccn2c(CC(F)(F)F)cnc2c1Cl |r,wU:1.0,wD:4.7,(14.04,-34.61,;14.86,-33.31,;14.14,-31.95,;14.97,-30.65,;16.51,-30.72,;17.22,-32.08,;16.4,-33.38,;17.33,-29.42,;16.45,-28.16,;17.37,-26.93,;18.83,-27.43,;20.17,-26.68,;21.49,-27.47,;21.47,-29,;20.12,-29.75,;18.81,-28.97,;22.84,-26.72,;24.16,-27.5,;25.5,-26.75,;25.52,-25.22,;26.68,-24.2,;28.23,-24.21,;29.04,-22.9,;30.58,-22.94,;28.3,-21.54,;29.79,-21.55,;26.08,-22.79,;24.55,-22.93,;24.21,-24.43,;22.86,-25.18,;21.54,-24.38,)|
Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wU:3.3,5.4,c:6,(-.76,-35.66,;.38,-36.71,;1.89,-36.4,;2.67,-35.09,;2.65,-36.63,;4.17,-37.76,;4.95,-36.44,;4.2,-35.1,;2.64,-37.74,;1.61,-38.88,;1.92,-40.39,;.21,-38.24,;-1.11,-39.04,;-2.45,-38.29,;-3.77,-39.09,;-3.75,-40.63,;-5.07,-41.42,;-6.42,-40.67,;-6.44,-39.13,;-7.74,-41.46,;-7.71,-43,;-9.03,-43.8,;-10.38,-43.05,;-10.4,-41.51,;-9.08,-40.72,;-2.4,-41.38,;-1.08,-40.59,;.27,-41.33,)|
Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
Oc1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
[2H]C([2H])([2H])Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
[2H]C([2H])([2H])Oc1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
[H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
[H][C@@]1(C[C@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
[H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])C2C(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl |c:5,TLB:10:9:2:5.6,THB:13:7:2:5.6|
[H][C@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
[H][C@]1(C[C@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)c1cccc(OC)c1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc[nH]1)C(O)=O |r|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|