formula
stringlengths
2
11
target
float64
0.03
1.6k
Pt1Te2
144.3219
C1Nb2S2
51.867
C2
70.355
Se2Ta1
91.529833
Cd4P4S12
67.22335
Re4Se8
75.100667
S2Ti1
89.569333
Mo2S4
89.425167
Ni2Se2
130.84975
C1Nb2S2
51.9244
Mo1Te2
90.981
Cr2Se2
75.92125
P8S8
117.836688
O2Pt1
84.508333
Ag1P2Se6V1
74.6965
Al1N1
626.81875
Se2Sn1
93.474367
Se2Sn2
152.650275
Se2V1
83.778
P2S8Sc2
66.628083
Ag1Ga1P2Se6
74.439
Pd4Se6Tl2
124.91825
Ni1O2
57.782667
P4S5
86.240667
P4Pd4S4
79.814667
Nd2Te6
57.274125
Mo2Te4
86.8705
Cr1S2
107.713333
Mo1Se2
79.550333
Nb1Se2
94.055
Pt1S2
95.4935
C1S2Ta2
49.9684
Pd1Te2
202.392167
S2Zr2
199.7195
O2Pt1
79.792667
Se2Ta1
90.692417
B1N1
58.9045
Ga1N1
499.82545
Ag1P2S6Sc1
69.55805
Se4Ta2
83.6815
Pt4Te6Tl2
138.24275
Pt4S6Tl2
106.048667
Cd2P2S6
69.1038
Sm2Te6
57.237
Se6U2
69.040375
Al2Mg1Se4
35.419286
S8Tc4
74.424583
S2V1
86.275
S6Sn2Tl8
100.852344
Hf2Se6
58.414125
B1N1
71.336
Hf1S2
86.830667
Hf1Se2
92.048667
Ga2S2
57.08485
S6Zr2
55.4895
B2C2Dy2
8.2195
Nb1S2
96.629
S2Sn1
82.335867
P8Si4
70.100792
P4
111.62375
Mo2Te4
86.841583
Au2I2
88.809824
Br2Fe1
74.284267
Na2P2Zn2
124.799967
F2Hg2
585.962548
Cl2Er2S2
65.078167
Li2Rb2S2
94.140667
Al2Te5
98.017571
In2S2
250.753675
Cl6Sc2
69.31275
Br2N2Ti2
41.272667
F2O2U1
47.7298
Sb2Sn1Te4
57.285714
Bi4O6
221.3538
I4P2
96.3197
Cl2O2V2
39.04
Br12Ir4
81.287937
Br12Rh4
80.673125
Au2Se2
165.899325
Br2Mg1
71.929633
Cl2N2Ti2
39.395667
Cl2O1Os1
73.847
Bi1Cl1Te1
104.2082
Bi2Cl2O2
71.047
Br6Nd2
90.03875
Br2Mn1
74.126233
F4Pb1
102.40816
Br2Ni1
73.5888
Cl2Ni1
66.032433
Cl2Zr1
69.383333
Sb2Se1Te2
71.8029
Cl12Rh4
71.894062
Cl2Rh2Te2
93.945333
I2N2Zr2
45.263
K2Mg2Sb2
110.6542
C1Cl2Sc2
40.4786
S6Ti2
54.49275
K2S4Sb2
223.312625
Ag2Cl6Re1
86.921111
Br2N2Th2
72.053833