formula
stringlengths
2
11
target
float64
0.03
1.6k
I2Mg1
82.056433
Cl2Mg1
63.486267
B1Br3
125.359225
Cl2Fe1
67.4109
Cl6P2
96.069563
I6Ti2
111.231563
As2Cl6
77.782625
I6Sb2
97.593462
Al2Br6
100.052188
Br6Ru2
99.686562
Br6Mo2
95.031
As2Br6
89.146687
Bi2Br2S2
110.969583
Bi4I2Te2
43.940988
Bi2I2S2
221.4786
N2S2
96.40375
N2S2
94.558125
H8Si2
39.65485
Pd2Se4
166.235583
H2N2S14
61.320833
P8Se10
114.364222
Ca2Sn2
337.876975
Ga2S2
56.224775
O2Ti1
59.974333
Mn1O2
54.228667
Ni1Te2
172.0149
Hg2P2S6
70.5961
Cr2I4
82.831733
Br6P2
109.6706
Cl4Nb2Se4
69.4213
Cl8Nb4S8
68.5222
Br6Sb2
88.648037
Cl2Zr2
52.18725
Al1P1S4
83.988917
Cl2Sc2
51.953
As8S6
93.977071
Si1Te2
92.340133
Cl12Cr4
69.522562
Br4Te8
101.537958
I4Te8
106.925558
Cl2N2S3
101.223286
Bi8I8
77.687256
Br6Cr2
79.077625
Br2Ti1
75.929233
I2N2Ti2
44.698333
Br2Tb2
58.429475
Ge8I8S12
388.005429
Bi2Ge1Te4
53.753457
Cl3N3S3
77.945778
Br1C1N1
108.4915
Ba2Br2Cl2
195.643167
Br4Pb2
105.434267
S6Sb4
138.26555
Cl2Ti1
66.7031
Cl6V2
73.316
Mo1S2
76.990667
Cl6Fe1Zr1
72.041625
Cl6Fe1Hf1
71.850688
Cd1I2
84.256617
Au1Cl7Te1
87.006378
Cl2N1Sc2
40.8698
Cl4I4Ta2
142.1311
Al6I2Te6
60.997036
I2Nb4Te12
107.822361
I2Nd1
98.5984
Ge2Nb6Te12
94.86805
P2Se5
122.456214
P8Se8
96.67025
Cr1S2
54.9775
Hf3Te2
78.3396
Cl7Nb3Te1
72.979818
Br6Sr1Th1
115.675688
I7Ta3Te1
94.751818
Fe2P2Se6
74.8725
Al1I7Te1
95.513806
Al1Br7Se1
89.921367
Cl8Hf2
71.624
Al8Te12
81.669325
Ga1I7Te1
94.038147
I2Tm1
90.773933
I7Nb3Te1
97.529182
H2Si2
46.42475
C1Sc2
423.692333
Cl8Nb3
72.972182
Br2Co1
75.462967
O6Sb2Tl2
42.2028
Cl6Pd6S6
88.211972
As1Cl5
131.394667
Br2Hf2N2
37.027833
Al2I6
120.514087
Mg2P2Se6
71.8986
Br7S1Ta3
87.800818
Al2Si2Te6
81.9326
P4Pd4Se4
83.189125
I10Nb2
178.347042
Br2Cr2O2
41.459667
Br2O1V1
67.661
Hf1Te2
108.003333
Bi2Te3
250.82136
Cr2Si2Te6
87.0515