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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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195645 78715042 1 S2N3O3C19H25 A2B3C3D19E25 -73.5 10.25 -9.16 -0.63 0
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195646 78715111 1 ClO3N5H16C18 AB3C5D16E18 0.75 7.84 -9.02 -2.02 0
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195647 78715339 1 ON3C21H25 AB3C21D25 16.46 4.84 -9.11 -0.62 0
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195648 78715340 1 O3N5C20H21 A3B5C20D21 -1.63 5.29 -8.72 -1.94 1
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195649 78715341 1 ON2F3C20H24 AB2C3D20E24 -132.06 7.58 0.0 0.0 0
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195650 78715485 1 FN2O4H19C24 AB2C4D19E24 -83.55 7.15 -8.75 -1.17 0
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195651 78715491 1 O2N5C20H27 A2B5C20D27 -51.97 8.66 -9.31 -0.59 1
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195652 78716204 1 ON3C18H20 AB3C18D20 31.63 5.66 0.0 0.0 0
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195653 78716294 2 ON2C11H13 AB2C11D13 -11.35 3.88 -8.29 -0.3 0
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195654 78716460 1 N2O5C23H28 A2B5C23D28 -195.32 7.4 -9.24 -0.8 0
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195655 78716461 1 ClNO4C21H24 ABC4D21E24 -137.83 2.7 -9.09 -0.24 0
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195656 78718101 1 O2N3H25C26 A2B3C25D26 39.08 8.36 -8.55 -0.63 0
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195657 78718349 1 O3N4C19H28 A3B4C19D28 -131.88 6.58 -8.41 0.23 0
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195658 78718502 1 N3O4C24H27 A3B4C24D27 -80.79 2.97 -9.02 -0.6 0
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195659 78719012 1 SN3O3C21H27 AB3C3D21E27 -94.93 5.66 -8.62 -0.37 0
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195660 78719130 1 SN3O3C17H19 AB3C3D17E19 -65.81 6.03 -9.38 -1.51 0
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195661 78719505 1 N3O5C19H19 A3B5C19D19 -43.71 8.35 -9.12 -1.26 0
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195662 78719544 1 N2O5C21H24 A2B5C21D24 -112.04 6.85 -9.51 -1.7 0
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195663 78719788 1 N2S2O3C17H20 A2B2C3D17E20 -76.82 4.51 -9.15 -0.49 0
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195664 78719789 3 NO2C7H7 AB2C7D7 -204.81 5.85 -9.18 -0.79 0
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195665 78719790 1 FOSN5C20H20 ABCD5E20F20 15.41 5.99 -8.29 -1.01 0
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195666 78719799 1 FSO2N6C15H15 ABC2D6E15F15 24.75 8.16 -9.11 -1.05 1
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195667 78719804 1 SF2N2O2C19H23 AB2C2D2E19F23 -142.64 7.19 0.0 0.0 0
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195668 78720042 1 ClO3N4C20H21 AB3C4D20E21 -57.5 2.14 -9.4 -0.42 0
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195669 78720273 1 SF2N2O4C17H18 AB2C2D4E17F18 -251.93 2.24 -9.29 -0.7 2
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195670 78720755 1 FON3C24H32 ABC3D24E32 -26.39 2.09 -8.93 -0.18 1
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195671 78720756 1 O3N4C18H25 A3B4C18D25 -58.09 4.19 0.0 0.0 2
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195672 78720980 1 O3N4C20H32 A3B4C20D32 -83.43 8.61 -7.82 -0.42 2
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195673 78720994 1 FON3C23H30 ABC3D23E30 -24.86 4.84 -9.18 -0.33 0
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195674 78721340 1 N3O3C25H33 A3B3C25D33 -82.22 3.48 -8.62 0.04 1
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195675 78721456 1 NO3C20H28 AB3C20D28 -113.1 10.26 0.0 0.0 0
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195676 78721498 1 N2O3H18C20 A2B3C18D20 -55.42 4.43 -8.88 -0.48 0
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195677 78722514 1 N3O4C21H21 A3B4C21D21 -85.51 5.1 -8.77 -1.35 0
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195678 78722515 1 FN2O4C20H21 AB2C4D20E21 -182.7 5.96 -9.55 -0.15 0
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195679 78722687 1 N3O4H21C22 A3B4C21D22 -83.04 7.67 -9.28 -0.91 0
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195680 78722970 1 SN3O4C20H21 AB3C4D20E21 -111.41 1.22 -9.01 -0.97 0
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195681 78723264 1 SN2O6C20H24 AB2C6D20E24 -207.73 3.05 -8.15 -0.82 0
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195682 78723265 1 F3N3O6C16H20 A3B3C6D16E20 -429.48 2.63 -10.38 -0.35 0
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195683 78723266 1 SN2O4C21H26 AB2C4D21E26 -147.44 5.68 -8.96 -1.04 1
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195684 78723267 1 SN3O4C18H28 AB3C4D18E28 -146.71 4.42 0.0 0.0 0
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195685 78723268 1 SN3O4C18H27 AB3C4D18E27 -163.66 5.99 -9.14 0.03 1
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195686 78723343 1 SN3O3C20H30 AB3C3D20E30 -78.98 5.43 0.0 0.0 0
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195687 78723344 1 SN2O4C21H22 AB2C4D21E22 -115.26 4.88 -8.95 -0.73 1
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195688 78723345 1 O3N5C23H36 A3B5C23D36 -113.03 6.52 0.0 0.0 0
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195689 78723623 1 ClSN2O4C20H23 ABC2D4E20F23 -143.67 4.32 -9.45 -0.87 0
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195690 78724276 1 N3O6C16H19 A3B6C16D19 -209.49 3.05 -8.67 -0.44 1
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195691 78724277 1 N3O4C21H32 A3B4C21D32 -161.05 8.35 0.0 0.0 0
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195692 78724278 1 SN3O3C18H21 AB3C3D18E21 3.96 4.51 -8.64 -1.43 0
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195693 78724279 1 O2S2N3C14H21 A2B2C3D14E21 12.91 6.14 -8.7 -1.35 1
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195694 78724280 1 Cl2N3O4C15H18 A2B3C4D15E18 -148.67 3.04 0.0 0.0 0