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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40703 8144553 1 SO3N4C18H22 AB3C4D18E22 -15.05 3.71 -8.42 -0.24 0
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40704 8144554 1 N3O4C16H21 A3B4C16D21 -106.31 6.62 -9.08 -0.4 0
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40705 8144556 1 FOSN4C14H17 ABCD4E14F17 -9.59 3.07 -8.41 -0.83 1
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40706 8144557 1 SO2N3C22H26 AB2C3D22E26 -1.31 7.45 0.0 0.0 0
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40707 8144558 1 SO2N3C22H25 AB2C3D22E25 -16.35 1.61 -8.56 -0.79 0
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40708 8144559 1 ClN4O4H17C18 AB4C4D17E18 -26.94 10.22 -9.66 -1.6 0
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40709 8144563 1 SO3N4C16H22 AB3C4D16E22 -39.9 3.93 -8.37 -0.22 0
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40710 8144565 1 ClOSN4C20H21 ABCD4E20F21 56.23 2.67 -8.42 -1.07 1
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40711 8144566 1 SO2N3C24H24 AB2C3D24E24 44.08 7.96 0.0 0.0 0
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40712 8144567 1 SO2N3H23C24 AB2C3D23E24 28.35 4.96 -8.69 -0.91 0
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40713 8144568 2 NOC12H13 ABC12D13 -5.78 6.12 -8.56 -0.64 1
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40714 8144569 1 OSN4C17H23 ABC4D17E23 67.48 5.85 0.0 0.0 0
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40715 8144570 1 OSN4C17H22 ABC4D17E22 48.38 4.3 -8.35 -0.26 1
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40716 8144576 1 SO2N5C21H22 AB2C5D21E22 56.9 9.11 0.0 0.0 0
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40717 8144579 1 OSN4C21H30 ABC4D21E30 0.58 5.29 -8.22 -0.37 1
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40718 8144580 1 ClO2N3C20H21 AB2C3D20E21 14.28 7.66 0.0 0.0 1
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40719 8144582 1 OSN4C21H31 ABC4D21E31 23.91 6.06 0.0 0.0 0
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40720 8144583 1 OSN4C21H30 ABC4D21E30 7.34 5.35 -8.2 -0.43 1
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40721 8144585 1 OSN4C21H31 ABC4D21E31 22.84 6.42 0.0 0.0 0
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40722 8144586 1 OSN4C21H30 ABC4D21E30 3.76 5.5 -8.24 -0.4 0
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40723 8144588 1 OSN4C21H30 ABC4D21E30 7.7 5.51 -8.22 -0.46 0
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40724 8144591 1 ClO4N5H14C16 AB4C5D14E16 -8.67 11.52 -9.72 -1.73 1
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40725 8144592 1 BrOSN4C13H16 ABCD4E13F16 50.95 10.73 0.0 0.0 0
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40726 8144593 1 BrOSN4C13H15 ABCD4E13F15 51.18 7.07 -8.33 -1.42 1
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40727 8144594 1 OSN3C16H22 ABC3D16E22 20.82 4.09 0.0 0.0 0
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40728 8144595 1 OSN3C16H21 ABC3D16E21 2.11 4.93 -8.04 -0.12 0
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40729 8144597 1 BrO2N3C19H20 AB2C3D19E20 3.07 3.33 -9.14 -0.49 0
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40730 8144599 1 N3O4C22H25 A3B4C22D25 -68.38 6.25 -8.55 -0.5 1
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40731 8144600 1 OS2N4C15H21 AB2C4D15E21 16.21 3.65 0.0 0.0 1
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40732 8144603 1 SO2N5C22H24 AB2C5D22E24 39.53 3.72 0.0 0.0 0
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40733 8144604 1 SO2N5C22H23 AB2C5D22E23 24.85 0.58 -8.59 -1.17 0
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40734 8144608 1 N3O3C18H25 A3B3C18D25 -112.18 3.26 -8.97 -0.06 0
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40735 8144613 1 OSN4C20H22 ABC4D20E22 56.72 4.64 -8.28 -0.58 1
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40736 8144616 1 O2N3C21H24 A2B3C21D24 20.81 9.81 0.0 0.0 0
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40737 8144617 1 O2N3C21H23 A2B3C21D23 3.25 7.2 -8.88 -0.55 0
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40738 8144619 1 SO2N4C15H20 AB2C4D15E20 -1.5 3.43 -8.42 -0.54 1
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40739 8144620 1 SO2N4C17H23 AB2C4D17E23 34.19 7.21 0.0 0.0 0
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40740 8144621 1 SO2N4C17H22 AB2C4D17E22 12.32 6.21 -8.14 -0.57 0
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40741 8144622 1 ClO2N3H20C23 AB2C3D20E23 10.4 3.36 -9.29 -0.66 0
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40742 8144626 1 ClSO2N4C20H21 ABC2D4E20F21 17.65 6.15 -8.35 -0.67 0
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40743 8144628 1 SO2N4C15H20 AB2C4D15E20 -3.62 6.35 -8.24 -0.46 1
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40744 8144629 1 SO2N3C24H24 AB2C3D24E24 42.07 9.21 0.0 0.0 0
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40745 8144630 1 SO2N3H23C24 AB2C3D23E24 23.97 5.02 -8.81 -1.04 1
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40746 8144634 1 SN3O4C21H24 AB3C4D21E24 -83.68 12.93 0.0 0.0 0
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40747 8144635 1 SN3O4C21H23 AB3C4D21E23 -96.35 6.06 -8.82 -1.2 1
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40748 8144636 1 OSN4C18H27 ABC4D18E27 29.19 6.55 0.0 0.0 0
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40749 8144638 1 OS2N3C21H23 AB2C3D21E23 31.08 7.76 -8.13 -1.37 1
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40750 8144639 1 OSN4C15H21 ABC4D15E21 44.44 5.69 0.0 0.0 1
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40751 8144641 1 ClSO2N4C20H22 ABC2D4E20F22 39.84 3.83 0.0 0.0 0
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40752 8144644 1 SN3O3H21C22 AB3C3D21E22 -0.34 5.28 -8.57 -0.95 0