formula
stringlengths
2
15
target
float64
43.9
2.11k
Ba1Nb7O9
583.649
Ge1Rh1Zr1
380.075
Hg11K1
59.989
O2Zn1
567.846
Ga4Sr1
276.981
F10K1Y3
435.444
Be13Pa1
837.119
Co1V3
529.996
B1La1Rh3
307.992
Mn3N1Pd1
375.859
Ho2Mg1Se4
198.529
H2Ta1
375.272
Ba1O2
333.335
Ba1Pd1Si3
334.497
Be13Sr1
1,047.03
Ag1Bi1Yb1
156.93
Al1C1Sc3
630.221
K3Sb1Te3
117.168
Na2Se1
267.935
Al1Er1Zn1
319.475
S2Ta1
196.796
Bi1Ho1
185.933
In1Y1
205.668
O3Sr1Zr1
547.172
Ba1Ir1P1
232.25
Ba1Ru2Sb2
259.835
In8Ir1Yb2
198.987
Er1Hg2
170.298
Li3N1
753.375
Ca1Rh2Si2
454.515
Cr2O6Te1
646.487
Hf1Si2
441.61
Li1Pd2Tl1
223.318
B4Hf1Ir3
389.642
La1Pt3
196.763
Al1F4Na1
535.801
Cd2Ho1
214.121
Ni1Sb1Se1
298.767
Ba1O3Pa1
248.232
As1La1Te1
245.689
P1Pt5Zn1
270.594
Ag1S3Ta1
275.522
Co1Si2Tb1
397.525
Yb1
107.571
B1Rh3Zr1
425.91
Pd4Se1
244.429
Mg2Zn11
302.084
Ba1Ni1Sn3
221.418
H1Ho1Se1
363.528
Au1In1Yb1
158.542
P1Sr1
298.046
Be2Ta3
393.177
Ni1O1
587.36
Ag2Ca1Ge2
238.261
Al1Pd1Tb1
207.678
Cu2Te2Tl1
145.272
N1Re2Zr4
336.738
Dy1H2
388.194
Nb3Pt1
332.55
Lu2Mg1S4
264.612
In1Pd3
271.068
Mn2O5Sr2
481.765
Te1Zr1
306.454
In2Te4Zn1
166.235
Ba1Cd1Ge1
215.542
Al3C3Er1
713.17
Ba1C2
238.235
Pt3Th7
140.404
C1Hf1
538.948
F6Si1Tl2
128.197
Li2Pd1Sb1
248.106
Cs2H4Mg1
219.79
Ga3Hf1
362.631
Re1Si1Zr1
450.028
O1U1
257.605
B2W1
648.735
P1Ru1Ta1
417.513
Cd1Cu1F4
347.07
C6Cr3W20
374.138
In1Ni1
284.873
La1Rh3Si2
426.297
Ca1In2P2
321.836
Al8Fe4Y1
397.739
Al1Rh1Th1
240.21
Ge6Ho4Ir7
336.909
Bi1K3Te3
109.682
Al1Pt1
243.444
Si1Sr1Zn1
347.163
Ga1Ir1Th1
207.095
C1In1Y3
381.722
Cu4In1Y1
321.203
Bi1Li1Sr1
212.372
C1Er3Ga1
177.223
F3Pb1Rb1
199.074
B1Sc3Tl1
370.971
Ir2Sr1
250.602
O4V1Y1
473.756
O4P1Tb1
460.577
Ag1Ga1
164.855
Al1Co2Ti1
493.657