316 SMILES Strings for Steroid hormone receptor ERR1

Compound Name
SMILES String
Oc1ccc(cc1)-n1cc(Br)c2cc(O)ccc2c1=O
Oc1ccc(cc1)-n1cc(Br)c2cc(O)cc(O)c2c1=O
Oc1cc(O)c2c(c1)c(Br)cn(-c1ccc(O)c(F)c1)c2=O
COc1ccc(cc1)-n1cc(Br)c2cc(OC)cc(C#N)c2c1=O
Oc1ccc(cc1)-n1cc(C#N)c2cc(O)cc(O)c2c1=O
Oc1ccc(cc1)-n1cc(Br)c2cc(O)cc(C#N)c2c1=O
Oc1ccc(cc1)-n1cc(-c2ccccc2)c2cc(O)ccc2c1=O
COc1ccc(cc1)-c1cn(-c2ccc(O)cc2)c(=O)c2ccc(O)cc12
Oc1cc(O)c2c(c1)c(C=C)cn(-c1ccc(O)c(F)c1)c2=O
COc1ccc(cc1)-c1cn(-c2ccc(O)cc2)c(=O)c2c(O)cc(O)cc12
Oc1ccc(cc1)-n1cc(-c2ccccc2)c2cc(O)cc(O)c2c1=O
C\C=C\c1cn(-c2ccc(O)cc2)c(=O)c2c(O)cc(O)cc12
Cc1ccc(cc1)-n1cc(CNCC2CCCCC2)c2ccccc12
C(NCc1cn(-c2ccccc2)c2ccccc12)C1CCCCC1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC2)cc1)c1ccccc1
CN1CCCC1CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
CN1CCCC1COc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
CN1CCCC1COc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
CC(C)N1CCN(CC1)c2ccc(cc2)C(=C(CCCO)c3ccccc3)c4ccc(cc4)O
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
CC(C)N1CCN(CC1)c2ccc(cc2)/C(=C(/CCCO)\c3ccccc3)/c4cccc(c4)O
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
OCCC\C(=C(/c1ccc(Br)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1
Cc1ccc(cc1)C(=C(/CCCO)c1ccccc1)\c1ccc(cc1)N1CCNCC1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1
CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
c1ccc(cc1)/C(=C(\c2ccc(cc2)C3CCN(CC3)C4CC4)/c5ccc(cc5)O)/CCCO
CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCCCC1)c1ccccc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCC1)c1ccccc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCN(C1)C1CC1)c1ccccc1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(NCS(C)(=O)=O)cc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCCC3)C2)cc1)c1ccccc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCC[C@@H]2CO)cc1)c1ccccc1 |r|
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3[C@H]2CO)cc1)c1ccccc1 |r|
CN(C)CCOc1ccc(cc1)/C(=C(/CCCO)\c2ccccc2)/c3ccc(cc3)O
CN1CCC[C@H]1COc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 |r|
CN1CCC[C@H]1COc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1 |r|
CN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
CN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
CN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCNCC1)c1ccccc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCN(CC1)C1CCCCC1)c1ccccc1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(NS(C)(=O)=O)cc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2C[C@H]3C[C@H]3[C@H]2CO)cc1)c1ccccc1 |r|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r|
C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)/C=C/C(=O)O)F
CCCN1CC(C1)Oc2ccc(cc2)[C@@H]3c4c(c5ccccc5[nH]4)C[C@H](N3CC(C)(C)F)C
CCCN1CC(C1)Oc1cc(F)c([C@H]2N(CC(C)(C)F)[C@H](C)Cc3c2[nH]c2ccccc32)c(F)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(OC2CN(CCF)C2)cc1
C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)OCCN5CC(C5)CF)F
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(N)c3OCCc23)cc1 |r,c:13,t:9|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc3cc[nH]c3c2)cc1 |r,c:13,t:9|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc3NCCOc3c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cc3CCOc3c(N)c2)cc1 |r,c:13,t:9|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(N)c3OCCc23)cc1
FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(CCN4CCCC4)C3=O)ccc12
CN1CCC[C@H]1CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r|
CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r|
COc1ccc(Cn2ncc3cc(\C=C4/SC(=O)N(CCN5CCOCC5)C4=O)ccc23)c(c1)C(F)(F)F
OC(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(cc4C(F)(F)F)C(F)(F)F)ncc3c2)C1=O
CC(=O)NS(=O)(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(CC(=O)NS(=O)(=O)N4CCCC4)C3=O)ccc12
FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(C[C@H]4COCCN4)C3=O)ccc12 |r|
CN1CC[C@@H]([C@@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r|
COc1ccc(Cn2ncc3cc(\C=C4/SC(=O)N(CCN5CCCC5)C4=O)ccc23)c(c1)C(F)(F)F
FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(C4CCNCC4)C3=O)ccc12
OC(=O)C1CCC(CC1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |(47.59,-35.76,;46.69,-34.51,;47.31,-33.11,;45.15,-34.68,;44.52,-36.09,;43,-36.25,;42.09,-35,;42.71,-33.59,;44.24,-33.43,;40.57,-35.17,;39.8,-36.51,;40.43,-37.91,;38.29,-36.19,;38.13,-34.66,;36.79,-33.9,;35.46,-34.67,;35.47,-36.22,;34.13,-37,;32.79,-36.23,;31.33,-36.7,;30.85,-38.16,;31.88,-39.31,;33.38,-38.98,;34.41,-40.12,;33.94,-41.59,;34.97,-42.74,;32.43,-41.91,;31.4,-40.77,;29.88,-41.08,;28.51,-41.36,;28.63,-40.06,;29.14,-42.51,;30.43,-35.45,;31.33,-34.21,;32.8,-34.69,;34.12,-33.91,;39.53,-34.03,;39.84,-32.52,)|
OC(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
COc1ccc(Cn2ncc3cc(\C=C4/SC(=O)N(C5CCC(CC5)C(O)=O)C4=O)ccc23)c(c1)C(F)(F)F |(9.02,-29.93,;9.49,-28.47,;8.46,-27.32,;8.94,-25.85,;7.91,-24.71,;6.41,-25.04,;5.38,-23.89,;5.86,-22.43,;4.95,-21.18,;5.86,-19.94,;7.32,-20.41,;8.65,-19.64,;9.99,-20.4,;11.32,-19.63,;12.66,-20.39,;12.82,-21.92,;14.33,-22.24,;14.96,-23.64,;15.09,-20.9,;16.62,-20.73,;17.53,-21.98,;19.05,-21.81,;19.68,-20.41,;18.77,-19.16,;17.23,-19.32,;21.21,-20.24,;22.12,-21.49,;21.84,-18.83,;14.06,-19.76,;14.37,-18.25,;9.99,-21.95,;8.66,-22.72,;7.32,-21.95,;5.93,-26.49,;6.95,-27.64,;4.41,-26.8,;3.04,-27.09,;3.16,-25.79,;3.67,-28.23,)|
FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(CCN4CCOCC4)C3=O)ccc12
FC(F)(F)c1ccc(Cn2ncc3cc(\C=C4/SC(=O)N(CCN5CCCC5)C4=O)ccc23)c(c1)C(F)(F)F
Cc1nn(Cc2ccc(Cl)cc2C(F)(F)F)c2ccc(\C=C3/SC(=O)N(CC(O)=O)C3=O)cc12
FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(Cc4nnn[nH]4)C3=O)ccc12
NS(=O)(=O)NC(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
CN(C)S(=O)(=O)NC(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
C[C@H](N)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r|
OCCN1CCC(CC1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
N[C@@H](CO)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r|
O[C@@H]1CNCC[C@H]1N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r|
CN1CC[C@H]([C@H](O)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r|
F[C@@H]1CNCC[C@H]1N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r|
COc1ccc(Cn2ncc3cc(\C=C4/SC(=O)N(CC(O)=O)C4=O)ccc23)c(c1)C(F)(F)F
CS(=O)(=O)NC(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
CN1CCC(CC1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Cc1nn(Cc2ccc(Cl)cc2C(F)(F)F)c2ccc(\C=C3/SC(=O)N(CC(=O)NS(=O)(=O)N4CCCC4)C3=O)cc12
CN1CC[C@@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r|
COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(F)(F)F)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F
CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCC)c(c1)C(=O)Nc1ccccc1
CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCC)c(c1)C(=O)NC(C)C
CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCC)c(c1)C(=O)Nc1cccc(OC)c1
CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCC)c(c1)C(=O)Nc1ccc(C)cc1
CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCc2ccccc2)c(c1)C(=O)OC
CCCCOc1ccc(NC(=O)NCc2cc(OCC)c(NS(C)(=O)=O)cc2OCC)cc1C(=O)OC
CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccccc1
CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCC)c(c1)C(=O)NCc1ccc(OC)cc1
CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCC)c(c1)C(=O)NCc1ccccc1
COc1cc(\C=C(/C#N)C(=O)NCCOCCC(O)=O)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F
COc1cc(\C=C(/C#N)C(=O)NCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F |r|
COc1cc(\C=C(/C#N)C(O)=O)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F
COC(=O)C(=C\c1ccc(OCc2ccc(cc2C(F)(F)F)C(F)(F)F)c(OC)c1)\C#N
COc1cc(\C=C(/C#N)C(=O)NCCCCC(O)=O)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N |w:5.4,c:9|
COc1cc(\C=C(/C#N)C(=O)NCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F |r|
COc1cc(\C=C(/C#N)C(=O)NCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F |r|
COc1cc(\C=C(/C#N)C(=O)NCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F |r|
COc1cc(\C=C(/C#N)C(=O)NCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F |r|
COc1cc(\C=C(/C#N)C(=O)NCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F |r|
COc1cc(\C=C(/C#N)C(=O)NCCOCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F |r|
COc1cc(\C=C(/C#N)C(=O)NCCCCC(=O)N[C@H](C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F |r|
COc1cc(\C=C2/SC(=O)N(CCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)C2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N |r|
COc1cc(\C=C(/C#N)C(N)=O)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F
COc1cc(\C=C(/C#N)C(=O)NCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F |r|
COCCNC(=O)C(=C\c1ccc(OCc2ccc(cc2C(F)(F)F)C(F)(F)F)c(OC)c1)\C#N
COc1cc(\C=C(/C#N)C(=O)NCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F |r|
COc1cc(\C=C(/C#N)C(=O)NCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F |r|
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(Br)cc1
CN1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1cccc(O)c1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1
CN1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(C)cc1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(C)cc1
CCN1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CCN1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(C)cc1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1cccc(Br)c1
Cc1ccc(cc1)C(=C(/CCCO)c1ccccc1)c1ccc(cc1)N1CCNCC1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCCCC1)c1ccccc1
CN1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(Br)cc1
OCCCC(=C(/c1ccc(Br)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCC1)c1ccccc1
OCCCC(=C(/c1ccc(O)cc1)c1ccc2oc(CCN3CCCCC3)cc2c1)c1ccccc1
C[Si](C)(CN1CCCC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
C[Si](C)(CN1CCCCC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCNC3)C2)cc1)c1ccccc1
[H][C@@]12CNC[C@]1([H])CN(CCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1)C2
[H][C@]12C[C@@]1([H])[C@@H](CO)N(CCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1)C2
CN1CCCC1CCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(Br)cc1
CN1CCC[C@H]1COc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(Br)cc1
CN1CCC[C@@H]1CCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CN1CCC[C@H]1CCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CN1CCC[C@@H]1COc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CN1CCC[C@H]1COc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CNC1)c1ccccc1
OCCCC(=C(/c1ccc(Br)cc1)c1ccc(cc1)C1CNC1)c1ccccc1
Cc1ccc(cc1)C(=C(/CCCO)c1ccccc1)c1ccc(cc1)C1CNC1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CN(C1)C1CC1)c1ccccc1
Oc1ccc(cc1)C(=C(/CCCF)c1ccccc1)c1ccc(cc1)C1CNC1
OCCCC(=C(c1ccc(cc1)C1CCN(C1)C1CC1)c1cccc(O)c1)c1ccccc1
CC(C)N1CCC(C1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCNCC1)c1ccccc1
CN1CCC(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1cccc(O)c1
CCN1CCC(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1cccc(O)c1
Oc1ccc(cc1)C(=C(/CCCF)c1ccccc1)c1ccc(cc1)C1CCN(CC1)C1CC1
CC(C)N1CCC(=CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1cccc(O)c1
CC(C)N1CCC(=CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(cc1)C1=CCN(CC1)C1CC1)c1ccccc1
CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(CCCO)c1ccc(F)cc1)c1ccc(O)cc1
CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(CCCO)c1ccc(F)cc1F)c1ccc(O)cc1
Nc1ccc(cc1)C(=C(/CCCO)c1ccccc1)c1ccc(cc1)C1CCN(CC1)C1CC1
Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(O)c(c3)C(C)(C)C)cc12
Cn1c(COc2ccccc2)nc2ccc(Oc3ccc(O)c(c3)C(C)(C)C)cc12
Cn1c(COc2ccccc2)nc2ccc(Oc3cccc(c3)C(C)(C)C)cc12
Cn1c(nc2ccc(Oc3ccc(O)c(c3)C(C)(C)C)cc12)-c1ccccc1
Cc1nc2ccc(Oc3ccc(O)c(c3)C(C)(C)C)cc2n1C
CC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
CCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
CCCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
CC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)cc1
CC(=O)Nc1ccc(Oc2cccc3ccccc23)c(Cl)c1
CC(=O)Nc1ccc(Oc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
CC(=O)c1ccc(Oc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
CC(=O)c1ccc(cc1)Oc2ccc(c(c2)C(C)(C)C)O
COc1cc(\C=C(/C#N)C(=O)Nc2nncs2)ccc1OCCOc1c(C)cccc1C
CCc1nnc(NC(=O)C(=C\c2ccc(OCc3ccccc3Br)c(OC)c2)\C#N)s1
COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(F)(F)F)ccc1OCCOc1c(C)cccc1C
COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(C)(C)C)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F
CCc1nnc(NC(=O)C(=C\c2ccc(OCc3ccc(cc3C(F)(F)F)C(F)(F)F)c(OC)c2)\C#N)s1
CCc1nnc(NC(=O)C(=C\c2ccc(OCc3cc(F)ccc3C(F)(F)F)c(OC)c2)\C#N)s1
COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(C)(C)C)ccc1OCCOc1c(C)cccc1C
COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)-c2ccccc2)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F
CCc1nnc(NC(=O)C(=C\c2ccc(OCCOc3c(C)cccc3C)c(OC)c2)\C#N)s1
CCc1nnc(NC(=O)C(=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)\C#N)s1
COc1cc(\C=C(/C#N)C(=O)Nc2nncs2)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F
CCC1=NN2C\C(=C\c3ccc(OCCOc4c(C)cccc4C)c(OC)c3)C(=O)N=C2S1 |c:32,t:2|
COc1cc(\C=C(/C#N)C(=O)Nc2nnc(SC)s2)ccc1OCCOc1c(C)cccc1C
COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)-c2ccc(cc2)N(C)C)ccc1OCCOc1c(C)cccc1C
CCc1nnc(NC(=O)C(=C\c2ccc(OCc3ccc(F)cc3C(F)(F)F)c(OC)c2)\C#N)s1
CCc1nnc(NC(=O)C(=C\c2ccc(OCCOc3c(C)cccc3C)c(OC)c2)\C#N)o1
CCc1nnc(NC(=O)C(=C\c2ccc(OCc3ccccc3OC(F)(F)F)c(OC)c2)\C#N)s1
COc1cc(\C=C(/C#N)C(=O)Nc2nnc(SC)s2)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
Oc1ccc(cc1)-c1cc(Br)c2cc(O)ccc2n1
Oc1ccc-2c(OCc3c(C=C)c4cc(O)ccc4nc-23)c1
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Oc1ccc(cc1)-c1cc(C#C)c2cc(O)ccc2n1
Oc1ccc(cc1)-c1cc(C#N)c2cc(O)ccc2n1
COc1cccc(c1)-c1c2COc3cc(O)ccc3-c2nc2ccc(O)cc12
Oc1ccc-2c(OCc3c(Cl)c4cc(O)ccc4nc-23)c1
Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3-c2ccc(cc2)C#N)c1
Oc1ccc(cc1)-c1cc(C=C)c2cc(O)ccc2n1
Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3-c2cccc(Cl)c2)c1
Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3C#N)c1
Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3C#C)c1
CCc1cc(nc2ccc(O)cc12)-c1ccc(O)cc1
Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3-c2ccc(Cl)cc2)c1
Oc1ccc(cc1)-c1cc(Cl)c2cc(O)ccc2n1
Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3-c2ccc(cc2)C(F)(F)F)c1
CCc1c2COc3cc(O)ccc3-c2nc2ccc(O)cc12
COc1ccc(cc1)-c1c2COc3cc(O)ccc3-c2nc2ccc(O)cc12
Oc1ccc-2c(OCc3c(Br)c4cc(O)ccc4nc-23)c1
Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3-c2cccc(c2)C#N)c1
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c(c1)C#N |w:5.4,c:9|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c(C)c1 |w:5.4,c:9|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F |w:5.4,c:9|
COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c2ccccc12 |w:13.12,c:17|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c2ccccc12 |w:5.4,c:9|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F |w:5.4,c:9|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1Br)C(F)(F)F |w:5.4,c:9|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |w:5.4,c:9|
COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(Br)c1 |w:13.12,c:17|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)C#N |w:5.4,c:9|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1Cl)C#N |w:5.4,c:9|
COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(c1)[N+]([O-])=O |w:13.12,c:17|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccccc1[N+]([O-])=O |w:5.4,c:9|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C(F)(F)F |w:5.4,c:9|
COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(c1)C(F)(F)F |w:13.12,c:17|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1Br)C#N |w:5.4,c:9|
COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)cc1C(F)(F)F |w:13.12,c:17|
COC(=O)c1cc(ccc1Oc1ccc(C=C2SC(O)=NC2=O)cc1OC)C(F)(F)F |w:15.15,c:20|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1Cl)C(F)(F)F |w:5.4,c:9|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccccc1C(F)(F)F |w:5.4,c:9|
COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(Cl)c1 |w:13.12,c:17|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C#N)C(F)(F)F |w:5.4,c:9|
Cc1ccc(C)c(c1)-c1cc(nn1C)-c1ccc(O)cc1
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C#N)[N+]([O-])=O |w:5.4,c:9|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccccc1C#N |w:5.4,c:9|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C#N)C#N |w:5.4,c:9|
COc1cc(Oc2ccc(C#N)c(c2)C(F)(F)F)ccc1C=C1SC(O)=NC1=O |w:21.22,c:27|
COc1cc(C=C2SC(O)=NC2=O)cc(OC)c1Oc1ccc(C#N)c(c1)C(F)(F)F |w:5.4,c:9|
OC1=NC(=O)C(S1)=Cc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c2ccccc12 |w:7.8,t:1|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C)C#N |w:5.4,c:9|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c(Cl)c1 |w:5.4,c:9|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1)C#N |w:5.4,c:9|
COC(=O)c1ccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2OC)cc1C(F)(F)F
OC1=NC(=O)C(S1)=Cc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)cc1 |w:7.8,t:1|
Cc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F |w:4.3,c:8|
CCOc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F |w:6.5,c:10|
COc1cc(O)c(C(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccc3OCOc3c2)c(OC)c1 |r|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCc1cn(CC2COc4ccccc4O2)nn1)Cc1cc(O)ccc31 |r|
CCOC(=O)C(Cc1ccc(cc1)C#CCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12)C(=O)OCC |r|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCc1cn(nn1)-c1cc2ccc(O)cc2oc1=O)Cc1cc(O)ccc31 |r|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCC#Cc1ccc(CN2CCCCC2)cc1)Cc1cc(O)ccc31 |r|
CCOC(=O)CC(=O)c1ccc(cc1)C#CCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 |r|
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1)C#CCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 |r|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCC#Cc1ccc(cc1)-c1ccno1)Cc1cc(O)ccc31 |r|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCC#Cc1ccc2ccccc2c1)Cc1cc(O)ccc31 |r|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCC#Cc1ccc(cc1)-n1cccc1)Cc1cc(O)ccc31 |r|
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
Nc1ccccc1C(=O)c1cn(nn1)-c1cccc(c1)C(O)=O
Nc1ccccc1C(=O)c1cn(nn1)-c1cccc(c1)S(N)(=O)=O
Nc1ccccc1C(=O)c1cn(nn1)-c1cccc(c1)C#N
CCCOC(=O)c1cccc(c1)-n1cc(nn1)C(=O)c1ccccc1N
CCOC(=O)c1cccc(c1)-n1cc(nn1)C(=O)c1ccccc1N
COC(=O)c1cccc(c1)-n1cc(nn1)C(=O)c1ccccc1N
Nc1ccccc1C(=O)c1cn(nn1)-c1cccc(OCc2ccccc2)c1
Nc1ccccc1C(=O)c1cn(nn1)-c1cccc(Oc2ccccc2)c1
Nc1ccccc1C(=O)c1cn(nn1)-c1cccc(c1)-c1ccccc1
CC(C)(C)c1cccc(c1)-n1cc(nn1)C(=O)c1ccccc1N
Nc1ccccc1C(=O)c1cn(nn1)-c1ccccc1
Nc1ccccc1C(=O)c1cn(nn1)-c1cccc(c1)C(F)(F)F
Cc1cccc(c1)-n1cc(nn1)C(=O)c1ccccc1N
CCc1cccc(c1)-n1cc(nn1)C(=O)c1ccccc1N
CC(C)c1cccc(c1)-n1cc(nn1)C(=O)c1ccccc1N
CC(C)c1ccccc1-n1cc(nn1)C(=O)c1ccccc1N
CC(C)c1ccc(cc1)-n1cc(Cc2ccccc2O)nn1
CC(C)c1ccc(cc1)-n1cc(nn1)C(=O)c1ccc(N)cc1
CC(C)c1ccc(cc1)-n1cc(nn1)C(=O)c1cccc(N)c1
CC(C)c1ccc(cc1)-n1cc(nn1)C(=O)c1ccccc1N
COc1ccccc1C(=O)c1cn(nn1)-c1ccc(cc1)C(C)C
CC(C)c1ccc(cc1)-n1cc(nn1)C(=O)c1ccccc1C(F)(F)F
CC(C)c1ccc(cc1)-n1cc(nn1)C(=O)c1ccccc1F
CC(C)c1ccc(cc1)-n1cc(nn1)C(=O)c1ccccc1C
CC(C)c1ccc(cc1)-n1cc(nn1)C(=O)c1ccccc1[N+]([O-])=O
CC(C)c1ccc(cc1)-n1cc(nn1)C(=O)c1ccccc1O
CC(C)c1ccc(cc1)-n1cc(nn1)C(=O)c1cccc(O)c1
CC(C)c1ccc(cc1)-n1cc(nn1)C(=O)c1ccc(O)cc1
Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12 |(2.54,-4.54,;3.47,-3.72,;4.98,-4.05,;5.76,-2.71,;4.73,-1.56,;4.98,-.35,;3.33,-2.19,;2.01,-1.4,;.66,-2.12,;-.68,-1.4,;-.68,.15,;-2.01,.93,;-3.37,.15,;-4.42,-.49,;-3.33,1.39,;-3.37,-1.4,;-4.43,-2.04,;-2.01,-2.12,;-.91,-2.7,;-3.09,-2.71,;.66,.93,;.98,2.44,;2.53,2.61,;3.18,1.19,;2.01,.15,)|
CN(C)CCCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CN(C)CCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(C)cc1
CN(C)CCOc1ccc(cc1)C(=C(CCC(F)F)c1ccccc1)c1ccc(O)cc1
CCN(CC)CCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CN(C)CCOc1ccc(cc1)C(=C(CCCF)c1ccccc1)c1ccc(O)cc1
CNCCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CN(C)CCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(Br)cc1
C[C@@H]1CN(CCN1c1ccc(cn1)C(C)=O)C(=O)c1cc2c(C)nn(Cc3cccc(OCC4CCN(C4)C(=O)CCC4=[N+]5C(C=C4)=Cc4c(C)cc(C)n4[B-]5(F)F)c3)c2s1 |r,c:48,50,t:45|
C[C@@H]1CN(CCN1c1ccc(cn1)C(C)=O)C(=O)c1cc2c(C)nn(Cc3cccc(OCC4CCN(CC4)C(=O)CCC4=[N+]5C(C=C4)=Cc4c(C)cc(C)n4[B-]5(F)F)c3)c2s1 |r,c:49,51,t:46|
COCCOc1cccc(Cn2nc(C)c3cc(sc23)C(=O)N2CCN([C@H](C)C2)c2ccc(cn2)C(C)=O)c1 |r|
C[C@@H]1CN(CCN1c1ccc(cn1)C(C)=O)C(=O)c1cc2c(C)nn(Cc3cccc(OCCNC(=O)CCC4=[N+]5C(C=C4)=Cc4c(C)cc(C)n4[B-]5(F)F)c3)c2s1 |r,c:44,46,t:41|
C[C@@H]1CN(CCN1c1ccc(cn1)C(C)=O)C(=O)c1cc2c(C)nn(Cc3cccc(OCCCNC(=O)CCC4=[N+]5C(C=C4)=Cc4c(C)cc(C)n4[B-]5(F)F)c3)c2s1 |r,c:45,47,t:42|
C[C@@H]1CN(CCN1c1ccc(cn1)C(C)=O)C(=O)c1cc2c(C)nn(Cc3cccc(OCCCCNC(=O)CCC4=[N+]5C(C=C4)=Cc4c(C)cc(C)n4[B-]5(F)F)c3)c2s1 |r,c:46,48,t:43|
C[C@@H]1CN(CCN1c1ccc(cn1)C(C)=O)C(=O)c1cc2c(C)nn(Cc3cccc(OCCOCCNC(=O)CCC4=[N+]5C(C=C4)=Cc4c(C)cc(C)n4[B-]5(F)F)c3)c2s1 |r,c:47,49,t:44|
C[C@@H]1CN(CCN1c1ccc(cn1)C(C)=O)C(=O)c1cc2c(C)nn(Cc3cccc(OCCOCCOCCNC(=O)CCC4=[N+]5C(C=C4)=Cc4c(C)cc(C)n4[B-]5(F)F)c3)c2s1 |r,c:50,52,t:47|
C[C@@H]1CN(CCN1c1ccc(cn1)C(C)=O)C(=O)c1cc2c(C)nn(Cc3cccc(OCCCCCNC(=O)CCC4=[N+]5C(C=C4)=Cc4c(C)cc(C)n4[B-]5(F)F)c3)c2s1 |r,c:47,49,t:44|
C[C@@H]1CN(CCN1c1ccc(cn1)C(C)=O)C(=O)c1cc2c(C)nn(Cc3cccc(OCCOCCOCCOCCNC(=O)CCC4=[N+]5C(C=C4)=Cc4c(C)cc(C)n4[B-]5(F)F)c3)c2s1 |r,c:53,55,t:50|
C[C@@H]1CN(CCN1c1ccc(cn1)C(C)=O)C(=O)c1cc2c(C)nn(Cc3cccc(OCC4CN(CCO4)C(=O)CCC4=[N+]5C(C=C4)=Cc4c(C)cc(C)n4[B-]5(F)F)c3)c2s1 |r,c:49,51,t:46|
C[C@@H]1CN(CCN1c1ccc(cn1)C(C)=O)C(=O)c1cc2c(C)nn(Cc3cccc(OCc4ccc(CNC(=O)CCC5=[N+]6C(C=C5)=Cc5c(C)cc(C)n5[B-]6(F)F)cc4)c3)c2s1 |r,c:48,50,t:45|