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OsBaran
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Polimer-Ozellik-Tahmini

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polymer_id
stringlengths
4
7
smiles
stringlengths
3
308
value
float64
-129
495
source
stringclasses
4 values
P522055
*CC(C(=O)OCC(Cl)(Cl)Cl)(F)*
127
polyinfo
P522063
CCCCCCCCOc1ccc2c(c1*)ccc(c2)c1ccc2c(c1)ccc(c2*)OCCCCCCCC
68
polyinfo
P522066
*C(C(F)(F)*)OCOC(C(F)(F)*)*
122
polyinfo
P522072
*c1c(c2ccccc2)c(c2ccccc2)c(c2c1cc(cc2)C(C(F)(F)F)(C(F)(F)F)c1ccc2c(c1)c(*1=CC=CC=C1)c(cc2)c1ccccc1)*
400
polyinfo
P522073
*c1c(c2ccccc2)c(c2ccccc2)c(c2c1cc(cc2)Oc1ccc2c(c1)c(*1=CC=CC=C1)c(cc2)c1ccccc1)*
400
polyinfo
P522074
*c1c(c2ccccc2)c(c2ccccc2)c(c2c1cc(cc2)c1ccc2c(c1)c(*1=CC=CC=C1)c(cc2)c1ccccc1)*
400
polyinfo
P522075
*c1c(c2ccccc2)c(c2ccccc2)c(c2c1cc(cc2)C1(c2ccc3c(c2)c(*2=CC=CC=C2)c(cc3)c2ccccc2)c2ccccc2-c2c1cccc2)*
400
polyinfo
P010006
*CC(C(C)C)*
60
polyinfo
P522035
CCCCCCCCC1(CCCCCCCC)c2cc(ccc2-c2c1cc(*)cc2)c1ccc2-c3c([C]4(=CC=C(C=C4)C(C)(C)C)c2c1)cc(cc3)*
166
polyinfo
P522036
CCCCCCCCC1(CCCCCCCC)c2cc(*)ccc2-c2c1cc(cc2)c1ccc2-c3c([C]4(=C[C](=C[C](=C4)(C)C)(C)C)c2c1)cc(cc3)*
132
polyinfo
P522037
*C=C([As](c1ccccc1)*)c1ccccc1
92.9
polyinfo
P522041
*CC(C1(F)C(*)CC(C1(F)F)(O)C(F)(F)F)(F)F
152
polyinfo
P522047
*CC(C1(F)CC(CC1*)CC(C(F)(F)F)(C(F)(F)F)O)(F)F
98
polyinfo
P522048
*CC(C1(F)CC(CC1*)C(C(F)(F)F)(C(F)(F)F)O)(F)F
118
polyinfo
P522049
CCCCCCC1(CCCCCC)c2cc(*)ccc2-c2c1cc(cc2)c1ccc2-c3c([C]4(=CC=[C](C=C4)(C4=NC(CO4)c4ccccc4)C4=NC(CO4)c4ccccc4)c2c1)cc(cc3)*
161
polyinfo
P522050
CCCCCCC1(CCCCCC)c2cc(ccc2-c2c1cc(*)cc2)c1ccc2-c3c([C]4(=CC=[C](C=C4)(C4=NC(CO4)Cc4ccccc4)C4=NC(CO4)Cc4ccccc4)c2c1)cc(cc3)*
142
polyinfo
P522008
*CC(C(=O)OCC(C(C(F)(F)F)(F)F)(F)F)(F)*
75
polyinfo
P522009
*CC(C(=O)OCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)*
63
polyinfo
P522016
*CC(C(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)*
6
polyinfo
P522017
*CC(C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)*
53
polyinfo
P522018
*CC(C(=O)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)*
53
polyinfo
P522019
*CC(C(=O)OC(C(F)(F)F)C(F)(F)F)(F)*
102
polyinfo
P522020
CCOC(=O)C(C*)(F)*
94
polyinfo
P522021
CCCOC(=O)C(C*)(F)*
62
polyinfo
P520015
*C=C[Ge](c1ccccc1)(c1ccccc1)*
-36
polyinfo
P520020
*[Se]c1c(Cl)c(Cl)c(c(c1Cl)Cl)*
104
polyinfo
P520022
*CC(C(=O)OCC(F)(F)F)(F)*
118
polyinfo
P520023
*CC(C(=O)OCC(C(F)(F)F)(F)F)(F)*
99
polyinfo
P520024
*CC(C(=O)OCC(C(F)F)(F)F)(F)*
90.5
polyinfo
P520025
*CC(C(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(F)*
60
polyinfo
P520026
*CC(C(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)*
87.5
polyinfo
P520030
FC(COC(C(F)(F)*)(F)*)(F)F
29
polyinfo
P020010
CCCCCOCc1ccccc1C(C*)*
47
polyinfo
P020011
*CC(c1ccccc1COCCC(C)C)*
78
polyinfo
P020012
*CC(c1ccccc1COCc1ccccc1)*
72
polyinfo
P020013
*CC(c1ccccc1COCCc1ccccc1)*
63
polyinfo
P020014
*CC(c1ccccc1C(=O)NC)*
189
polyinfo
P020015
*CC(c1ccccc1C(=O)N(C)C)*
190
polyinfo
P020016
*CC(c1ccccc1C(=O)Nc1ccccc1)*
191
polyinfo
P020017
*CC(c1ccccc1C(=O)O)*
177
polyinfo
P014525
*CC/C=C(/C(C)(C)C)\*
25
polyinfo
P020001
*CC(c1ccccc1)*
98
polyinfo
P020002
*CC(c1ccccc1C)*
131
polyinfo
P020005
COCc1ccccc1C(C*)*
89
polyinfo
P020006
CCOCc1ccccc1C(C*)*
74
polyinfo
P020007
CCCOCc1ccccc1C(C*)*
97
polyinfo
P020008
*CC(c1ccccc1COC(C)C)*
88
polyinfo
P020009
CCCCOCc1ccccc1C(C*)*
67
polyinfo
P010092
*CC(C1CCC(CC1)C)*
132
polyinfo
P010096
*CCC=C(CCCCCCC)*
-83
polyinfo
P010097
*CCC=C(C(C)C)*
-47
polyinfo
P010098
*CCC/C=C\*
-114
polyinfo
P010103
*C=CC1CCC(C1)*
31
polyinfo
P010106
*CCCCCCCCCCC=C*
-53
polyinfo
P014362
*C=C*
-30.5
polyinfo
P014500
*CC1(*)CCCCC1
100
polyinfo
P010007
CCCCC(C*)*
-48.3
polyinfo
P010002
*CC(C)*
-0.39
polyinfo
P010003
*CC(CC)*
-24.05
polyinfo
P010004
CCCC(C*)*
-36
polyinfo
P010080
CCCCCCCCCCCCCCC(C*)*
-24
polyinfo
P010081
*CCCCCCC=C*
-78
polyinfo
P010082
*CCC/C=C/*
-92.5
polyinfo
P010091
*CC(C1CCCC(C1)C)*
141
polyinfo
P020088
*CC(c1ccc(cc1)C(=O)N1CCOCC1)*
127
polyinfo
P020090
*CC(c1ccc(cc1)C(=O)OC)*
122
polyinfo
P020091
CCOC(=O)c1ccc(cc1)C(C*)*
94
polyinfo
P020092
CCCOC(=O)c1ccc(cc1)C(C*)*
92
polyinfo
P020093
*CC(c1ccc(cc1)C(=O)OC(C)C)*
95
polyinfo
P020094
CCCCOC(=O)c1ccc(cc1)C(C*)*
76
polyinfo
P020095
*CC(c1ccc(cc1)C(=O)OCC(C)C)*
90
polyinfo
P020096
CCCCCCOC(=O)c1ccc(cc1)C(C*)*
66
polyinfo
P020078
OCCCCOCc1ccc(cc1)C(C*)*
20
polyinfo
P020079
*CC(c1ccc(cc1)COC(CC)C)*
40
polyinfo
P020080
CCCCCCOCc1ccc(cc1)C(C*)*
-20
polyinfo
P020083
CCCCOCCOCc1ccc(cc1)C(C*)*
-38
polyinfo
P020084
*CC(c1ccc(cc1)C(=O)N(C)C)*
125
polyinfo
P020085
*CC(c1ccc(cc1)C(=O)N(CC)CC)*
102
polyinfo
P020086
*CC(c1ccc(cc1)C(=O)N1CCCCC1)*
114
polyinfo
P020087
*CC(c1ccc(cc1)C(=O)CCN1CCCCC1)*
38
polyinfo
P020069
CCCCCC(c1ccc(cc1)C(C*)*)(O)C
92.5
polyinfo
P020070
*CC(c1ccc(cc1)C(CCN(C)C)O)*
43
polyinfo
P020071
*CC(c1ccc(cc1)C(CCN1CCCCC1)O)*
54
polyinfo
P020072
*CC(c1ccc(cc1)C(CCN1CCOCC1)O)*
50
polyinfo
P020074
COCc1ccc(cc1)C(C*)*
77
polyinfo
P020075
OCCOCc1ccc(cc1)C(C*)*
46
polyinfo
P020076
CCCOCc1ccc(cc1)C(C*)*
22
polyinfo
P020077
CCCCOCc1ccc(cc1)C(C*)*
10
polyinfo
P020061
*CC(c1ccc(cc1)Cl)*
124
polyinfo
P020062
*CC(c1ccc(cc1)Br)*
134.5
polyinfo
P020063
*CC(c1ccc(cc1)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)*
42
polyinfo
P020064
*CC(c1ccc(cc1)C(=NO)C)*
134
polyinfo
P020065
*CC(c1ccc(cc1)C(O)(C)C)*
165
polyinfo
P020066
*CC(c1ccc(cc1)C(CC)(O)C)*
186
polyinfo
P020067
CCCC(c1ccc(cc1)C(C*)*)(O)C
130
polyinfo
P020068
CCCCC(c1ccc(cc1)C(C*)*)(O)C
82.5
polyinfo
P020133
*C(c1cc(Cl)ccc1Cl)C*
108
polyinfo
P020136
CCCCOc1ccc(cc1C(C*)*)Br
47
polyinfo
P020137
CCOc1ccc(cc1C(C*)*)Br
80
polyinfo
P020138
*C(c1cc(Br)ccc1OC)C*
86
polyinfo
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Size of downloaded dataset files:
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Size of the auto-converted Parquet files:
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Number of rows:
44,994

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