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137 SMILES Strings for 4-hydroxyphenylpyruvate dioxygenase

Compound NameSMILES String
BDBM50075317 CCC\C(=N/OCC)C1C(=O)CC(CC(C)SCC)CC1=O |(12.1,-2.31,;10.76,-1.55,;9.43,-2.32,;8.09,-1.55,;8.07,-.01,;9.41,.76,;9.41,2.31,;10.74,3.08,;6.76,-2.34,;5.41,-1.57,;5.41,-.02,;4.08,-2.34,;4.08,-3.89,;2.74,-4.65,;2.76,-6.2,;4.09,-6.97,;1.41,-6.97,;.08,-6.2,;-1.25,-6.98,;5.41,-4.66,;6.76,-3.89,;8.09,-4.66,)|
BDBM50075318 CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1
BDBM50075319 [O-]C1=C(C(=[OH+])c2ccc(cc2[N+]([O-])=O)C(F)(F)F)C(=O)CCC1 |c:1|
BDBM50089165 O=C(OC1=CC(=O)CCC1)C1CC1 |t:3|
BDBM50089166 O=C(OC1=CC(=O)CCC1)C1CCCCC1 |t:3|
BDBM50089167 CC(C)C(=O)OC1=CC(=O)CCC1 |t:6|
BDBM50088792 O=C(C1CC1)C1C(=O)CCCC1=O
BDBM50088793 [O-][N+](=O)c1ccccc1C(=O)C1C(=O)CCCC1=O
BDBM50089168 CCC(=O)OC1=CC(=O)CCC1 |t:5|
BDBM50089169 CC(C)(C)C(=O)OC1=CC(=O)CCC1 |t:7|
BDBM50089170 CC(=O)OC1=CC(=O)CCC1 |t:4|
BDBM50089171 O=C(OC1=CCCCC1)C1CC1 |t:3|
BDBM50088794 Cc1ccccc1C(=O)C1C(=O)CCCC1=O
BDBM50088795 Brc1ccccc1C(=O)C1C(=O)CCCC1=O
BDBM50088796 COc1ccccc1C(=O)C1C(=O)CCCC1=O
BDBM50088797 CC(=O)C1C(=O)CCCC1=O
BDBM50089172 O=C(OC1=CC(=O)CCC1)c1ccccc1 |t:3|
BDBM50088798 Ic1ccccc1C(=O)C1C(=O)CCCC1=O
BDBM50088799 FC(F)(F)c1ccccc1C(=O)C1C(=O)CCCC1=O
BDBM50088800 O=C(C1CCCCC1)C1C(=O)CCCC1=O
BDBM50088801 CC(C)C(=O)C1C(=O)CCCC1=O
BDBM50088802 CCC(=O)C1C(=O)CCCC1=O
BDBM50088803 Clc1ccccc1C(=O)C1C(=O)CCCC1=O
BDBM50088804 [O-][N+](=O)c1cc(ccc1C(=O)C1C(=O)CCCC1=O)C(F)(F)F
BDBM50088805 O=C(C1C(=O)CCCC1=O)c1ccccc1
BDBM50113304 [O-]C1=C(C(=[OH+])c2ccccc2[N+]([O-])=O)C(=O)CCC1 |c:1|
BDBM50113305 [#8]-[#7]\[#6](=[#6]-1\[#6](=O)-[#6]-[#6]-[#6]-[#6]-1=O)-c1ccccc1-[#7+](-[#8-])=O
BDBM50113306 [O-]C1=C(Cc2ccccc2[N+]([O-])=O)C(=[OH+])CCC1 |c:1|
BDBM50113307 [O-][N+](=O)c1ccccc1C(=O)C1=C(Cl)CCCC1=O |c:12|
BDBM50113308 [O-][N+](=O)c1ccccc1C(=[OH+])[C-]1CCCCC1=O
BDBM50113309 [O-][N+](=O)c1ccccc1CN1C(=O)CCCC1=O
BDBM50113310 [O-][N+](=O)c1ccccc1C(=[OH+])C1=C(Cl)[CH-]CCC1=O |c:12|
BDBM50113311 COC1=C(C(=O)c2ccccc2[N+]([O-])=O)C(=O)CCC1 |c:2|
BDBM50113312 [O-][N+](=O)c1ccccc1C(=O)N1C(=O)CCCC1=O
BDBM50114875 CCOC(=O)C(C)Oc1ccc(O)cc1
BDBM50114876 OC(C(O)=O)C(=C)c1ccccc1
BDBM50114877 COC(=O)C(O)C(=C)c1ccccc1
BDBM50114878 CCOC(=O)COc1ccc(O)cc1
BDBM50114879 COC(=O)COc1ccc(O)cc1
BDBM50114880 O=C1OCC(C1=O)c1ccccc1
BDBM50114881 COC(=O)C1OC1(C)c1ccccc1
BDBM50114882 OC(=O)COc1ccc(O)cc1
BDBM50114883 CC(Oc1ccc(O)cc1)C(O)=O
BDBM50114884 COC(=O)CC1=CC(=O)C(OC)=CC1=O |c:11,t:5|
BDBM50114885 COC(=O)CC12OC1C(=O)C(OC)=CC2=O |c:13|
BDBM50124366 CCOC(=O)C1CC(=O)C(C(=O)C2CC2)=C(C1)OC(=O)C1CC1 |c:15|
BDBM50124367 CCOC(=O)C1CC(=O)C(C(=O)C2CC2)=C(C1)NC(=O)C1CC1 |c:15|
BDBM50195068 O=C(C1CCC1)C1C(=O)CCCC1=O
BDBM50195072 Oc1c(C(=O)C2CC2)c(=O)oc2ccccc12
BDBM50195073 O=C(C1CCCC1)C1C(=O)CCCC1=O
BDBM50279373 Fc1ccc(CN2C(CCCCNC(=O)c3ccc(Cl)nc3)C(=O)C(C(=O)C3CC3)C2=O)cc1
BDBM50403929 BrC1=C(CCCC1=O)OC(=O)C1CC1 |t:1|
BDBM50403932 O=C(Oc1cc(=O)oc2ccccc12)C1CC1
BDBM50403933 O=C(OC1=CC(=O)CC1)C1CC1 |t:3|
BDBM50403935 COC1=CC(=O)C(OC(=O)C2CC2)=CC1=O |c:13,t:2|
BDBM50403921 ClC1=C(CCCC1=O)OC(=O)C1CC1 |t:1|
BDBM50403924 Oc1cccc(OC(=O)C2CC2)c1
BDBM50403925 CC1(C)CC(=O)C=C(C1)OC(=O)C1CC1 |c:6|
BDBM50403928 CCOC(=O)C1CC(=O)C=C(C1)OC(=O)C1CC1 |c:9|
BDBM50072240 Cn1ncc(C(=O)c2ccc3n(C)c(=O)n(Cc4ccccc4)c3c2)c1O
BDBM50024752 Cc1ccc(c(Br)c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(7.71,-46.18,;6.4,-46.98,;6.43,-48.53,;5.12,-49.32,;3.77,-48.58,;3.73,-47.05,;2.38,-46.31,;5.04,-46.24,;2.46,-49.38,;2.49,-50.93,;3.84,-51.67,;1.16,-51.73,;-.2,-50.99,;-1.52,-51.78,;-2.87,-51.04,;-2.89,-49.5,;-1.58,-48.7,;-.24,-49.44,;1.09,-48.63,;1.06,-47.09,;-4.25,-48.75,;-4.28,-47.21,;-5.56,-49.55,;-5.69,-51.08,;-7.19,-51.44,;-7.98,-50.12,;-9.51,-49.99,;-6.98,-48.95,;-7.34,-47.45,)|
BDBM50024716 Cc1nc2ccc(cc2c(=O)n1-c1cccc(OC(F)(F)F)c1)C(=O)c1cnn(C)c1O
BDBM50024719 Cc1cccc(c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O
BDBM50024720 Cc1nc2ccc(cc2c(=O)n1-c1cccc(Br)c1)C(=O)c1cnn(C)c1O
BDBM50024721 Cc1nc2ccc(cc2c(=O)n1-c1cccc(Cl)c1)C(=O)c1cnn(C)c1O
BDBM50024722 Cc1nc2ccc(cc2c(=O)n1-c1cccc(F)c1)C(=O)c1cnn(C)c1O
BDBM50024724 Cc1ccccc1-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(6.33,-13.22,;6.3,-11.68,;7.61,-10.88,;7.58,-9.34,;6.22,-8.6,;4.91,-9.4,;4.95,-10.93,;3.64,-11.73,;3.67,-13.28,;5.02,-14.02,;2.34,-14.09,;.99,-13.34,;-.34,-14.14,;-1.68,-13.39,;-1.7,-11.85,;-.4,-11.06,;.96,-11.79,;2.27,-10.98,;2.24,-9.44,;-3.06,-11.11,;-3.09,-9.57,;-4.37,-11.9,;-4.51,-13.44,;-6.01,-13.79,;-6.8,-12.47,;-8.33,-12.35,;-5.79,-11.31,;-6.16,-9.81,)|
BDBM50024725 Cc1nc2ccc(cc2c(=O)n1-c1ccccc1Br)C(=O)c1cnn(C)c1O |(57.5,-6.26,;56.15,-5.52,;54.82,-6.32,;53.47,-5.58,;52.15,-6.37,;50.8,-5.63,;50.78,-4.08,;52.09,-3.29,;53.43,-4.03,;54.75,-3.22,;54.72,-1.68,;56.12,-3.97,;57.43,-3.17,;57.39,-1.63,;58.7,-.83,;60.06,-1.57,;60.09,-3.11,;58.78,-3.91,;58.81,-5.45,;49.43,-3.34,;49.4,-1.8,;48.11,-4.14,;47.98,-5.67,;46.48,-6.03,;45.69,-4.71,;44.15,-4.58,;46.69,-3.54,;46.33,-2.04,)|
BDBM50024726 Cc1nc2ccc(cc2c(=O)n1-c1ccccc1Cl)C(=O)c1cnn(C)c1O |(39.95,-6.5,;38.6,-5.76,;37.27,-6.56,;35.91,-5.82,;34.6,-6.61,;33.25,-5.87,;33.22,-4.32,;34.53,-3.53,;35.88,-4.27,;37.2,-3.46,;37.16,-1.92,;38.56,-4.21,;39.88,-3.41,;39.83,-1.87,;41.14,-1.07,;42.5,-1.81,;42.54,-3.35,;41.22,-4.15,;41.25,-5.69,;31.87,-3.58,;31.84,-2.04,;30.55,-4.38,;30.42,-5.91,;28.92,-6.27,;28.13,-4.95,;26.6,-4.82,;29.13,-3.78,;28.78,-2.28,)|
BDBM50024727 Cc1nc2ccc(cc2c(=O)n1-c1ccccc1F)C(=O)c1cnn(C)c1O |(22.4,-6.56,;21.05,-5.81,;19.72,-6.62,;18.37,-5.87,;17.05,-6.67,;15.7,-5.92,;15.67,-4.38,;16.98,-3.59,;18.33,-4.32,;19.65,-3.51,;19.61,-1.97,;21.01,-4.26,;22.33,-3.46,;22.29,-1.93,;23.6,-1.13,;24.96,-1.87,;24.99,-3.41,;23.67,-4.21,;23.7,-5.75,;14.33,-3.64,;14.29,-2.1,;13.01,-4.43,;12.88,-5.97,;11.38,-6.32,;10.58,-5,;9.05,-4.88,;11.58,-3.84,;11.23,-2.34,)|
BDBM50024729 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(C)cc3Cl)c(=O)c2c1 |(13.19,-60.25,;12.02,-59.25,;10.52,-59.6,;9.73,-58.28,;8.19,-58.16,;10.73,-57.11,;10.37,-55.61,;12.15,-57.71,;13.47,-56.91,;13.44,-55.37,;14.82,-57.66,;14.85,-59.2,;16.19,-59.94,;17.51,-59.15,;18.87,-59.89,;20.19,-59.09,;21.54,-59.83,;20.16,-57.54,;21.47,-56.74,;22.82,-57.48,;24.13,-56.69,;24.1,-55.15,;25.42,-54.34,;22.74,-54.4,;21.43,-55.21,;20.08,-54.47,;18.8,-56.79,;18.76,-55.25,;17.48,-57.6,;16.13,-56.86,)|
BDBM50024730 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(Cl)cc3C)c(=O)c2c1 |(40.51,-51.09,;39.34,-50.08,;37.84,-50.44,;37.05,-49.12,;35.52,-48.99,;38.05,-47.95,;37.7,-46.45,;39.48,-48.55,;40.79,-47.75,;40.76,-46.21,;42.14,-48.49,;42.17,-50.04,;43.52,-50.78,;44.83,-49.99,;46.19,-50.73,;47.52,-49.93,;48.87,-50.67,;47.48,-48.38,;48.8,-47.58,;50.14,-48.32,;51.46,-47.52,;51.42,-45.98,;52.74,-45.18,;50.06,-45.24,;48.75,-46.04,;47.4,-45.31,;46.12,-47.63,;46.08,-46.09,;44.8,-48.44,;43.45,-47.7,)|
BDBM50024731 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(C)cc3Br)c(=O)c2c1 |(19.9,-51.81,;18.73,-50.81,;17.23,-51.16,;16.44,-49.84,;14.91,-49.72,;17.44,-48.67,;17.09,-47.18,;18.86,-49.27,;20.18,-48.48,;20.15,-46.94,;21.53,-49.22,;21.56,-50.76,;22.91,-51.51,;24.22,-50.71,;25.58,-51.46,;26.91,-50.65,;28.26,-51.39,;26.87,-49.1,;28.19,-48.3,;29.53,-49.04,;30.85,-48.25,;30.81,-46.71,;32.13,-45.91,;29.45,-45.97,;28.14,-46.77,;26.79,-46.03,;25.51,-48.35,;25.47,-46.81,;24.19,-49.16,;22.84,-48.43,)|
BDBM50024732 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(F)cc3C)c(=O)c2c1 |(1.67,-50.37,;.51,-49.37,;-1,-49.72,;-1.79,-48.4,;-3.32,-48.28,;-.79,-47.23,;-1.15,-45.74,;.64,-47.83,;1.96,-47.04,;1.93,-45.5,;3.31,-47.78,;3.33,-49.32,;4.68,-50.07,;6,-49.27,;7.35,-50.02,;8.68,-49.21,;10.03,-49.95,;8.65,-47.66,;9.96,-46.86,;11.31,-47.61,;12.62,-46.81,;12.59,-45.27,;13.91,-44.47,;11.23,-44.53,;9.92,-45.33,;8.57,-44.59,;7.28,-46.91,;7.25,-45.37,;5.96,-47.72,;4.62,-46.99,)|
BDBM50024733 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(C)cc3F)c(=O)c2c1 |(40.74,-42.2,;39.58,-41.19,;38.08,-41.55,;37.28,-40.23,;35.75,-40.1,;38.28,-39.06,;37.93,-37.56,;39.71,-39.66,;41.03,-38.86,;41,-37.32,;42.38,-39.61,;42.4,-41.15,;43.75,-41.89,;45.07,-41.1,;46.42,-41.84,;47.75,-41.04,;49.1,-41.78,;47.72,-39.49,;49.03,-38.69,;50.37,-39.43,;51.69,-38.63,;51.66,-37.09,;52.97,-36.29,;50.3,-36.35,;48.99,-37.15,;47.63,-36.42,;46.35,-38.74,;46.32,-37.2,;45.03,-39.55,;43.68,-38.81,)|
BDBM50024735 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(Cl)cc3)c(=O)c2c1
BDBM50024736 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(C)cc3)c(=O)c2c1
BDBM50024737 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(Br)cc3)c(=O)c2c1
BDBM50024738 COc1ccc(cc1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1c(C)nn(C)c1O
BDBM50024740 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3cccc(F)c3)c(=O)c2c1
BDBM50024741 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3cccc(Br)c3)c(=O)c2c1
BDBM50024742 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3cccc(Cl)c3)c(=O)c2c1
BDBM50024743 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3cccc(C)c3)c(=O)c2c1
BDBM50024744 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccccc3F)c(=O)c2c1 |(4.02,-15.93,;2.85,-14.93,;1.35,-15.28,;.56,-13.96,;-.98,-13.84,;1.56,-12.8,;1.2,-11.3,;2.98,-13.39,;4.3,-12.6,;4.27,-11.06,;5.65,-13.34,;5.68,-14.88,;7.02,-15.63,;8.34,-14.83,;9.7,-15.58,;11.02,-14.77,;12.37,-15.52,;10.99,-13.22,;12.3,-12.42,;13.65,-13.17,;14.96,-12.37,;14.93,-10.83,;13.57,-10.09,;12.26,-10.89,;10.91,-10.15,;9.63,-12.47,;9.59,-10.93,;8.31,-13.28,;6.96,-12.55,)|
BDBM50024746 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccccc3C)c(=O)c2c1 |(24.94,-6.21,;23.77,-5.21,;22.27,-5.56,;21.48,-4.24,;19.95,-4.11,;22.48,-3.07,;22.13,-1.57,;23.9,-3.67,;25.22,-2.87,;25.19,-1.33,;26.57,-3.62,;26.6,-5.16,;27.95,-5.9,;29.26,-5.11,;30.62,-5.85,;31.95,-5.05,;33.3,-5.79,;31.91,-3.5,;33.23,-2.7,;33.18,-1.17,;34.49,-.36,;35.85,-1.1,;35.89,-2.65,;34.57,-3.44,;34.6,-4.98,;30.55,-2.75,;30.51,-1.21,;29.23,-3.56,;27.88,-2.82,)|
BDBM50024747 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccccc3Cl)c(=O)c2c1 |(5.74,-6.55,;4.58,-5.55,;3.08,-5.9,;2.28,-4.58,;.75,-4.46,;3.28,-3.42,;2.93,-1.92,;4.71,-4.01,;6.03,-3.22,;6,-1.68,;7.38,-3.96,;7.4,-5.5,;8.75,-6.25,;10.07,-5.45,;11.42,-6.2,;12.75,-5.39,;14.1,-6.14,;12.71,-3.84,;14.03,-3.04,;13.99,-1.51,;15.3,-.71,;16.66,-1.45,;16.69,-2.99,;15.37,-3.79,;15.4,-5.33,;11.35,-3.09,;11.31,-1.55,;10.03,-3.9,;8.68,-3.17,)|
BDBM50024748 Cc1ccc(c(C)c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(30.83,-34.46,;29.51,-35.26,;29.55,-36.8,;28.23,-37.6,;26.89,-36.85,;26.84,-35.32,;25.49,-34.58,;28.16,-34.52,;25.57,-37.65,;25.61,-39.2,;26.96,-39.95,;24.28,-40.01,;22.92,-39.26,;21.61,-40.06,;20.26,-39.31,;20.23,-37.77,;21.54,-36.98,;22.89,-37.71,;24.21,-36.9,;24.17,-35.36,;18.88,-37.03,;18.85,-35.49,;17.57,-37.82,;17.43,-39.36,;15.94,-39.71,;15.14,-38.39,;13.61,-38.27,;16.14,-37.23,;15.79,-35.73,)|
BDBM50024750 Cc1ccc(c(F)c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(40.08,-48.16,;38.76,-48.96,;38.79,-50.5,;37.48,-51.3,;36.14,-50.56,;36.09,-49.02,;34.74,-48.29,;37.4,-48.22,;34.82,-51.36,;34.85,-52.91,;36.2,-53.65,;33.53,-53.71,;32.17,-52.97,;30.85,-53.76,;29.51,-53.02,;29.48,-51.47,;30.79,-50.68,;32.14,-51.42,;33.46,-50.61,;33.42,-49.07,;28.13,-50.73,;28.1,-49.19,;26.81,-51.53,;26.68,-53.06,;25.18,-53.42,;24.39,-52.1,;22.85,-51.97,;25.39,-50.93,;25.03,-49.43,)|
BDBM50024751 Cc1nc2ccc(cc2c(=O)n1-c1ccc(Cl)c(Cl)c1)C(=O)c1cnn(C)c1O
BDBM50024753 Cc1cc(F)ccc1-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(59.16,-38.71,;60.52,-39.45,;61.83,-38.65,;63.19,-39.39,;64.5,-38.59,;63.22,-40.93,;61.9,-41.73,;60.56,-40.98,;59.24,-41.78,;59.28,-43.33,;60.63,-44.08,;57.95,-44.14,;56.6,-43.39,;55.28,-44.19,;53.93,-43.44,;53.9,-41.9,;55.21,-41.11,;56.56,-41.84,;57.88,-41.03,;57.84,-39.49,;52.55,-41.16,;52.52,-39.62,;51.24,-41.95,;51.1,-43.49,;49.61,-43.84,;48.81,-42.52,;47.28,-42.4,;49.81,-41.36,;49.46,-39.86,)|
BDBM50024754 Cc1cc(Cl)ccc1-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(41.86,-39.5,;43.21,-40.23,;44.52,-39.43,;45.88,-40.17,;47.19,-39.37,;45.91,-41.71,;44.6,-42.51,;43.25,-41.77,;41.94,-42.57,;41.97,-44.12,;43.32,-44.86,;40.64,-44.92,;39.29,-44.18,;37.97,-44.97,;36.62,-44.23,;36.6,-42.69,;37.91,-41.89,;39.25,-42.63,;40.57,-41.82,;40.54,-40.28,;35.25,-41.94,;35.22,-40.4,;33.93,-42.74,;33.8,-44.27,;32.3,-44.63,;31.51,-43.31,;29.97,-43.18,;32.51,-42.14,;32.15,-40.64,)|
BDBM50024756 COc1ccc(cc1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O
BDBM50024757 Cc1ccc(cc1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O
BDBM50024758 Cc1nc2ccc(cc2c(=O)n1-c1ccc(Br)cc1)C(=O)c1cnn(C)c1O
BDBM50024759 Cc1nc2ccc(cc2c(=O)n1-c1ccc(Cl)cc1)C(=O)c1cnn(C)c1O
BDBM50024723 COc1ccccc1-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(24.63,-14.14,;23.28,-13.4,;23.25,-11.86,;24.57,-11.06,;24.54,-9.52,;23.18,-8.78,;21.87,-9.58,;21.91,-11.12,;20.59,-11.92,;20.63,-13.47,;21.98,-14.21,;19.3,-14.27,;17.95,-13.53,;16.63,-14.32,;15.28,-13.58,;15.25,-12.03,;16.56,-11.24,;17.91,-11.98,;19.23,-11.17,;19.19,-9.63,;13.91,-11.29,;13.87,-9.75,;12.59,-12.09,;12.46,-13.62,;10.96,-13.97,;10.16,-12.66,;8.63,-12.53,;11.16,-11.49,;10.81,-9.99,)|
BDBM50024728 Cc1nc2ccc(cc2c(=O)n1-c1ccccc1)C(=O)c1cnn(C)c1O
BDBM50024734 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(C)cc3C)c(=O)c2c1 |(19.88,-42.14,;18.71,-41.13,;17.21,-41.48,;16.42,-40.17,;14.88,-40.04,;17.42,-39,;17.06,-37.5,;18.84,-39.6,;20.16,-38.8,;20.13,-37.26,;21.51,-39.54,;21.53,-41.09,;22.88,-41.83,;24.2,-41.04,;25.55,-41.78,;26.88,-40.98,;28.23,-41.72,;26.85,-39.43,;28.16,-38.63,;29.51,-39.37,;30.82,-38.57,;30.79,-37.03,;32.11,-36.23,;29.43,-36.29,;28.12,-37.09,;26.77,-36.36,;25.48,-38.68,;25.45,-37.14,;24.17,-39.49,;22.82,-38.75,)|
BDBM50024739 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(F)cc3)c(=O)c2c1
BDBM50024745 COc1ccccc1-n1c(C)nc2ccc(cc2c1=O)C(=O)c1c(C)nn(C)c1O |(49.35,-.46,;49.39,-2,;50.75,-2.74,;52.06,-1.94,;53.42,-2.68,;53.45,-4.22,;52.13,-5.01,;50.79,-4.27,;49.47,-5.07,;49.51,-6.62,;50.86,-7.36,;48.18,-7.42,;46.83,-6.68,;45.51,-7.48,;44.16,-6.73,;44.13,-5.19,;45.44,-4.4,;46.79,-5.13,;48.11,-4.32,;48.07,-2.78,;42.78,-4.45,;42.75,-2.91,;41.47,-5.24,;41.34,-6.78,;42.5,-7.78,;39.84,-7.13,;39.04,-5.81,;37.51,-5.69,;40.04,-4.64,;39.69,-3.15,)|
BDBM50024749 Cc1ccc(c(Cl)c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(60,-48.32,;58.68,-49.12,;58.71,-50.67,;57.4,-51.46,;56.06,-50.72,;56.01,-49.19,;54.66,-48.45,;57.32,-48.38,;54.74,-51.52,;54.77,-53.07,;56.12,-53.81,;53.45,-53.87,;52.09,-53.13,;50.77,-53.92,;49.43,-53.18,;49.4,-51.64,;50.71,-50.84,;52.06,-51.58,;53.38,-50.77,;53.34,-49.23,;48.05,-50.89,;48.02,-49.35,;46.73,-51.69,;46.6,-53.23,;45.1,-53.58,;44.31,-52.26,;42.77,-52.14,;45.31,-51.09,;44.95,-49.59,)|
BDBM50024755 Cc1nc2ccc(cc2c(=O)n1-c1ccc(OC(F)(F)F)cc1)C(=O)c1cnn(C)c1O
BDBM50024760 Cc1nc2ccc(cc2c(=O)n1-c1ccc(F)cc1)C(=O)c1cnn(C)c1O
BDBM50072267 CCn1c2ccc(cc2n(c1=O)C(C)(C)C)C(=O)c1cnn(C)c1O
BDBM50072268 CCn1c2ccc(cc2n(C2CC2)c1=O)C(=O)c1cnn(C)c1O
BDBM50072269 CCCn1c2ccc(cc2n(CC)c1=O)C(=O)c1cnn(C)c1O
BDBM50072270 CCCn1c2ccc(cc2n(CCC)c1=O)C(=O)c1cnn(C)c1O
BDBM50072271 CCCn1c2ccc(cc2n(c1=O)C(C)(C)C)C(=O)c1cnn(C)c1O
BDBM50072273 CCCCn1c2cc(ccc2n(C)c1=O)C(=O)c1c(C)nn(C)c1O
BDBM50072274 CC(C)Cn1c2cc(ccc2n(C)c1=O)C(=O)c1c(C)nn(C)c1O
BDBM50072276 CCCn1c2ccc(cc2n(CCC)c1=O)C(=O)c1c(C)nn(C)c1O
BDBM50072277 CCCn1c2ccc(cc2n(C(C)C)c1=O)C(=O)c1c(C)nn(C)c1O
BDBM50072180 Cc1nn(C)c(O)c1C(=O)c1ccc2n(C)c(=O)n(C3CCCC3)c2c1
BDBM50072181 CC(C)n1c2cc(ccc2n(C)c1=O)C(=O)c1c(C)nn(C)c1O
BDBM50072213 CCn1c2cc(ccc2n(C)c1=O)C(=O)c1c(C)nn(C)c1O
BDBM50072216 Cc1nn(C)c(O)c1C(=O)c1ccc2n(C)c(=O)n(c2c1)C(C)(C)C
BDBM50072217 Cc1nn(C)c(O)c1C(=O)c1ccc2n(C)c(=O)n(-c3ccc(C)cc3)c2c1
BDBM50072218 Cc1nn(C)c(O)c1C(=O)c1ccc2n(C)c(=O)n(Cc3ccccc3)c2c1
BDBM50072219 CCCn1c2cc(ccc2n(CC)c1=O)C(=O)c1c(C)nn(C)c1O
BDBM50072221 CCn1c2ccc(cc2n(CC)c1=O)C(=O)c1c(C)nn(C)c1O
BDBM50072222 CCn1c2ccc(cc2n(C(C)C)c1=O)C(=O)c1c(C)nn(C)c1O
BDBM50072230 CCCn1c2cc(ccc2n(C)c1=O)C(=O)c1cnn(C)c1O
BDBM50072231 CCCCn1c2cc(ccc2n(C)c1=O)C(=O)c1cnn(C)c1O
BDBM50072235 Cn1ncc(C(=O)c2ccc3n(C)c(=O)n(C4CCCC4)c3c2)c1O
BDBM50072236 CC(C)n1c2cc(ccc2n(C)c1=O)C(=O)c1cnn(C)c1O
BDBM50072238 Cn1ncc(C(=O)c2ccc3n(C)c(=O)n(c3c2)C(C)(C)C)c1O
BDBM50072239 Cc1ccc(cc1)-n1c2cc(ccc2n(C)c1=O)C(=O)c1cnn(C)c1O
BDBM50072263 Cn1ncc(C(=O)c2ccc3n(C)c(=O)n(C4CC4)c3c2)c1O
BDBM50072264 CCCn1c2cc(ccc2n(CC)c1=O)C(=O)c1cnn(C)c1O
BDBM50072265 CCn1c2ccc(cc2n(CC)c1=O)C(=O)c1cnn(C)c1O
BDBM50024718 COc1cccc(c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O
BDBM50072223 CCC(=O)C(C(C)=O)C(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F
BDBM50072232 CC(C)Cn1c2cc(ccc2n(C)c1=O)C(=O)c1cnn(C)c1O
BDBM50072237 CCn1c2cc(ccc2n(C)c1=O)C(=O)c1cnn(C)c1O
BDBM50072266 CCn1c2ccc(cc2n(C(C)C)c1=O)C(=O)c1cnn(C)c1O
BDBM50072272 CCCn1c2cc(ccc2n(C)c1=O)C(=O)c1c(C)nn(C)c1O
BDBM50072275 CCCn1c2ccc(cc2n(CC)c1=O)C(=O)c1c(C)nn(C)c1O