Compound Name

SMILES String

CC(C=Cc1ccco1)=NCCCCNC(=O)C=Cc1ccco1 |w:18.19,9.10,2.1|

CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2CC(C)CCc12

FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(Br)o2)C1=O

[O-][N+](=O)c1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Br)o2)C1=O

Fc1ccc(C=NNC(=N)NN=Cc2ccc(F)cc2)cc1 |w:11.10,6.6|

CCOc1ccc(cc1)-c1cc(C)n2nc(cc2n1)C(N)=O

COc1cc(\C=C2\SC(=S)N(CC(=O)Nc3ccccn3)C2=O)cc(OC)c1OC

CCOc1ccc(Cl)cc1\C=C1\SC(=S)N(CC)C1=O

[#8-]-[#7+](=O)-c1cc(Cl)c(cc1Cl)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1

COc1cc(C=Nn2c(O)csc2=S)ccc1OCCOc1ccc(cc1)C(C)(C)C |w:6.6|

FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(I)o2)C1=O

FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2Cl)C1=O

[O-][N+](=O)c1ccc(cc1)N1C(=S)S\C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C1=O

[#8-]-[#6](=O)-c1cc(ccc1Cl)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1

[#8-]-[#6](=O)-c1cccc(-c2ccc(\[#6]=[#6]-3/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)o2)c1Cl

[O-][N+](=O)c1ccc(COc2ccc(Cl)cc2C=C2C(=O)NC(=O)N(C2=O)c2ccccc2F)cc1 |w:16.16|

O[C@@H](COc1ccc(Cl)cc1Cl)Cn1c2ccccc2n(CCN2CCCCC2)c1=N |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:38.39,wD:11.10,(46.28,-21.08,;46.25,-22.61,;47.58,-23.4,;44.91,-23.37,;44.89,-24.91,;43.54,-25.65,;42.23,-24.87,;40.88,-25.62,;39.56,-24.83,;38.22,-25.58,;38.2,-27.12,;36.89,-24.79,;35.55,-25.54,;35.54,-27.08,;34.2,-27.85,;34.19,-29.38,;35.52,-30.16,;35.62,-31.71,;36.95,-32.47,;38.28,-31.7,;36.96,-34.01,;35.64,-34.78,;34.31,-34.02,;32.98,-34.79,;31.65,-34.04,;31.65,-32.51,;32.96,-31.72,;34.3,-32.49,;30.32,-31.75,;30.3,-30.22,;28.97,-29.47,;27.65,-30.24,;28.95,-27.93,;30.28,-27.15,;30.26,-25.61,;31.59,-24.83,;32.93,-25.59,;34.25,-24.82,;34.24,-23.28,;32.9,-22.51,;31.57,-23.3,;30.79,-24.63,;32.33,-24.63,;30.23,-22.53,;28.9,-23.31,;27.57,-22.54,;26.24,-23.32,;26.23,-24.86,;27.57,-25.63,;28.91,-24.86,;35.57,-22.49,;35.56,-20.95,;36.91,-23.25,;32.95,-27.13,;31.63,-27.92,;36.86,-29.39,;36.86,-27.86,;42.24,-23.33,;43.58,-22.57,)|

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:36.37,wD:11.10,(23.09,-3.13,;23.07,-4.67,;24.39,-5.45,;21.73,-5.42,;21.7,-6.96,;20.35,-7.7,;19.04,-6.92,;17.69,-7.67,;16.38,-6.89,;15.03,-7.63,;15.01,-9.17,;13.71,-6.85,;12.36,-7.6,;12.35,-9.14,;11.01,-9.9,;11,-11.44,;12.33,-12.22,;12.32,-13.75,;10.99,-14.51,;10.98,-16.04,;9.67,-13.73,;8.33,-14.49,;7.02,-13.72,;5.69,-14.47,;5.67,-16,;6.99,-16.78,;8.33,-16.03,;4.33,-16.75,;5.78,-11.52,;7.12,-12.28,;5.77,-9.99,;7.09,-9.21,;7.08,-7.67,;8.4,-6.89,;9.74,-7.65,;11.07,-6.87,;11.05,-5.33,;9.71,-4.57,;8.38,-5.36,;7.6,-6.68,;9.15,-6.68,;7.04,-4.59,;5.72,-5.37,;4.38,-4.6,;3.05,-5.37,;3.05,-6.92,;4.38,-7.69,;5.72,-6.92,;12.38,-4.54,;12.37,-3,;13.72,-5.31,;9.76,-9.18,;8.44,-9.97,;13.67,-11.45,;13.68,-9.91,;19.05,-5.39,;20.39,-4.63,)|