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Add valid_data.csv

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  1. valid_data.csv +684 -0
valid_data.csv ADDED
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651
+ [H]C1C(=O)C([H])([H])C([H])(C=1[H])C([H])([H])[H],-1605.4
652
+ [H]C([H])=C([H])C([H])([H])C([H])=C([H])C#N,-1657.07
653
+ [H]C([H])([H])OC([H])([H])C1(C([H])([H])[H])C([H])([H])C1([H])[H],-1838.28
654
+ [H]N([H])C1([H])C([H])([H])OC1(C([H])([H])[H])C([H])([H])[H],-1715.96
655
+ [H]N1C(=O)N([H])C([H])(C([H])([H])[H])C1([H])[H],-1512.44
656
+ [H]C1=NN(OC([H])([H])[H])C([H])=C1[H],-1307.37
657
+ [H]C(=O)N1N=C([H])C([H])([H])C1([H])[H],-1231.29
658
+ [H]C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H],-1917.65
659
+ [H]OC([H])([H])C(OC([H])([H])C([H])([H])[H])=C([H])[H],-1649.04
660
+ [H]C1=C([H])C([H])([H])C(=O)OC1([H])[H],-1411.36
661
+ [H]C([H])=C1OC([H])([H])C([H])=C1[H],-1289.94
662
+ [H]C1=NC([H])([H])C([H])([H])N1C([H])([H])[H],-1373.65
663
+ [H]C([H])=C1C([H])([H])C2([H])N([H])C1([H])C2([H])[H],-1626.66
664
+ [H]C1=NN([H])C([H])([H])C([H])=C1[H],-1220.99
665
+ [H]N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1464.45
666
+ [H]C1SC([H])=C(C=1[H])N([H])C([H])([H])[H],-1317.18
667
+ [H]OC([H])([H])C([H])([H])C([H])=C([H])C([H])([H])[H],-1555.89
668
+ [H]C1([H])ON=C(C([H])([H])[H])C([H])([H])O1,-1370.72
669
+ [H]C#CC([H])=C([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1752.4
670
+ [H]OC1(C([H])=C([H])[H])C([H])([H])C([H])([H])C1([H])[H],-1701.34
671
+ [H]N([H])C1([H])C([H])([H])OC1([H])C([H])([H])[H],-1417.09
672
+ [H]OC1(C([H])([H])N([H])[H])C([H])([H])N([H])C1([H])[H],-1581.98
673
+ [H]C1=C(OC([H])([H])C1([H])[H])C([H])([H])C([H])([H])[H],-1725.39
674
+ [H]C1ON=C(C#N)C=1[H],-1059.16
675
+ [H]O[N][C]([H])C([H])([H])C([H])([H])C([H])([H])O[H],-1575.71
676
+ [H]C([H])=C1OC([H])([H])C([H])([H])OC1([H])[H],-1515.17
677
+ [H]C(=O)OC([H])=C([H])C([H])([H])[H],-1237.65
678
+ [H]C1=NOC([H])([H])C([H])([H])C1=O,-1570.62
679
+ [H]C#CC(=NC([H])([H])[H])N([H])C([H])([H])[H],-1490.57
680
+ [H]C([H])=C([H])C1([H])C([H])=C([H])C([H])([H])N1[H],-1537.08
681
+ [H]N([H])C([H])([H])C([H])([H])C1([H])C([H])([H])C1([H])C([H])([H])[H],-1916.81
682
+ [H]OC([H])([H])C([H])([H])C#CC([H])=O,-1363.75
683
+ [H]OC([H])([H])C([H])(N([H])[H])C1([H])C([H])([H])C1([H])[H],-1587.63
684
+ [H][N][C]1OC([H])=C([H])N1C([H])([H])[H],-1342.31