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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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135362 51859902 1 N2O3C19H20 A2B3C19D20 -81.48 2.21 -8.37 -0.28 0
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135363 51860054 2 ClNOH8C9 ABCD8E9 -56.17 1.81 -8.98 -0.58 0
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135364 51860307 1 BrN2O2H17C18 AB2C2D17E18 -37.89 1.03 -8.6 -0.45 -1
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135365 51860815 1 N2S2O6C16H21 A2B2C6D16E21 -211.19 6.41 0.0 0.0 0
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135366 51860939 1 NSCl2O4C11H15 ABC2D4E11F15 -171.08 6.22 -9.6 -0.94 0
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135367 51861087 1 BrClSN2O3H14C19 ABCD2E3F14G19 -27.3 5.43 -9.19 -0.92 -1
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135368 51861557 3 NOC2H2 ABC2D2 -9.28 10.25 0.0 0.0 -1
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135369 51861681 1 O2S2N4H11C15 A2B2C4D11E15 85.56 4.55 0.0 0.0 0
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135370 51861870 1 SO3N4C18H24 AB3C4D18E24 -56.81 2.77 -8.57 -0.33 0
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135371 51862264 1 FSN2O5C19H25 ABC2D5E19F25 -252.54 2.26 -9.43 -0.6 0
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135372 51862687 1 N3O3C22H25 A3B3C22D25 -72.6 1.27 -8.75 -0.5 0
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135373 51862990 1 S2O3N4C23H24 A2B3C4D23E24 -23.25 5.73 -8.82 -0.56 0
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135374 51863176 1 N3O3S3C16H25 A3B3C3D16E25 -110.42 4.13 -9.09 -1.54 1
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135375 51863240 1 N2O2C22H23 A2B2C22D23 6.83 18.3 0.0 0.0 -2
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135376 51863299 2 NO3C11H16 AB3C11D16 -307.69 7.17 -9.59 -0.1 0
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135377 51863420 2 ClNO2C11H13 ABC2D11E13 -156.08 3.66 -8.37 -0.88 0
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135378 51863423 1 SO2N3H21C23 AB2C3D21E23 17.7 6.26 -8.56 -0.68 1
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135379 51863591 1 N2O2C12H21 A2B2C12D21 -64.15 6.76 0.0 0.0 0
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135380 51863631 1 N3O3C19H27 A3B3C19D27 -141.67 1.29 -9.37 0.09 0
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135381 51863632 1 N3O3C19H27 A3B3C19D27 -141.88 1.95 -9.22 0.22 0
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135382 51863633 1 ClN2S2O4C19H23 AB2C2D4E19F23 -132.09 2.49 -9.21 -1.14 1
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135383 51864541 1 FOSN2C20H26 ABCD2E20F26 -42.52 8.98 0.0 0.0 1
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135384 51864709 1 SN2O3C21H29 AB2C3D21E29 -68.51 2.7 0.0 0.0 0
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135385 51864710 1 SN2O3C21H28 AB2C3D21E28 -83.69 2.96 -8.49 -0.14 1
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135386 51865024 1 ClSO2N3C20H27 ABC2D3E20F27 -37.74 10.6 0.0 0.0 0