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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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193591 78410658 1 NSO4C15H21 ABC4D15E21 -126.25 2.23 -8.55 -1.02 0
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193592 78410737 1 SN4O24C46H78 AB4C24D46E78 -1099.27 11.7 -9.76 -0.89 0
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193593 78411213 3 NC5O6H7 AB5C6D7 -550.27 6.74 -11.3 -1.65 0
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193594 78411366 1 ClO4H9C13 AB4C9D13 -114.16 2.43 -9.9 -1.48 0
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193595 78411495 1 SO2N5H11C16 AB2C5D11E16 92.9 7.28 -9.5 -1.87 0
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193596 78411960 1 PN2O5C7H11 AB2C5D7E11 -261.93 3.27 -10.04 -0.56 0
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193597 78412001 1 O5C21H28 A5B21C28 -198.73 7.95 -9.04 -1.11 -1
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193598 78412048 1 S2N4O12C24H25 A2B4C12D24E25 -361.65 9.97 0.0 0.0 0
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193600 78412266 1 O9C42H62 A9B42C62 -413.11 6.16 -9.46 -0.32 0
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193601 78412280 1 BrPN2O9C24H30 ABC2D9E24F30 -433.26 8.11 -9.47 -0.36 0
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193602 78412295 1 N5O6C32H43 A5B6C32D43 -239.81 9.55 -8.98 -0.48 0
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193603 78412296 1 N5O6C34H45 A5B6C34D45 -242.61 6.17 -9.3 -0.08 0
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193604 78412297 1 N5O6C34H43 A5B6C34D43 -220.62 5.77 -9.16 -0.28 0
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193605 78412298 1 N5O6C37H45 A5B6C37D45 -209.04 7.59 -8.57 -0.48 0
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193606 78412299 1 N5O6C39H47 A5B6C39D47 -215.29 3.41 -8.77 -0.31 0
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193607 78412300 1 N5O6C38H45 A5B6C38D45 -207.07 10.09 -8.67 -0.5 0
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193608 78412301 1 N5O7C32H43 A5B7C32D43 -243.85 2.71 -9.17 -0.31 0
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193609 78412302 1 N5O7C31H41 A5B7C31D41 -247.16 5.32 -9.14 -0.44 0
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193610 78412303 1 N5O7C33H43 A5B7C33D43 -242.13 8.21 -9.48 -0.68 0
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193611 78412304 1 N5O7C34H45 A5B7C34D45 -249.97 2.02 -9.43 -0.38 0
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193612 78412305 1 N5O6C34H41 A5B6C34D41 -209.35 6.92 -9.38 -0.93 0
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193613 78412306 1 N5O6C38H43 A5B6C38D43 -185.27 3.77 -8.98 -0.95 0
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193614 78412307 1 N4O6C31H40 A4B6C31D40 -234.7 4.72 -9.6 -0.61 0
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193615 78412708 1 N4O5C34H36 A4B5C34D36 -122.23 10.22 -9.12 -1.1 0
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193616 78413052 1 N2O9F26C56H84 A2B9C26D56E84 -1854.78 5.13 -9.59 -0.48 0
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193617 78413728 1 O4N5C21H29 A4B5C21D29 -102.09 9.27 -8.65 -0.08 1
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193618 78413754 1 BrO2N5C18H19 AB2C5D18E19 5.91 4.28 0.0 0.0 1
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193619 78413755 1 ClFO2N5C18H18 ABC2D5E18F18 -50.73 4.88 0.0 0.0 1
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193620 78413756 1 Cl2O2N5C18H18 A2B2C5D18E18 -7.95 6.38 0.0 0.0 0
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193621 78413821 1 O2F3N4H9C14 A2B3C4D9E14 -155.01 2.69 -10.26 -1.69 1
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193622 78413918 1 O2N6C15H19 A2B6C15D19 15.31 2.38 0.0 0.0 0
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193623 78413996 1 SN3O4C22H23 AB3C4D22E23 -101.96 1.25 -8.81 -0.75 0
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193624 78414480 1 O2N3C26H33 A2B3C26D33 11.38 1.98 -9.21 -1.62 0
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193625 78414994 1 ClO2N4C16H21 AB2C4D16E21 -71.83 3.61 -9.65 -0.3 0
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193626 78414995 1 ClO2N4C17H19 AB2C4D17E19 -15.79 3.0 -8.87 -2.11 0
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193627 78415137 1 ClN4O4C17H21 AB4C4D17E21 -124.19 4.23 -9.1 -0.42 0
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193628 78415387 1 SN4O4H16C25 AB4C4D16E25 45.5 4.15 -9.17 -2.98 0
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193629 78415504 1 SO2N3C18H21 AB2C3D18E21 -17.71 3.81 -9.24 -0.35 0
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193630 78415944 1 FOSN5C19H24 ABCD5E19F24 -35.7 9.29 -9.14 -0.71 0
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193631 78415945 1 FOSN5C20H24 ABCD5E20F24 -12.29 8.75 -9.23 -0.86 0
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193632 78415946 1 FOSN5H14C18 ABCD5E14F18 67.58 5.18 -9.01 -1.69 0
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193633 78415961 1 O2S3N5C16H17 A2B3C5D16E17 6.45 2.52 -9.16 -1.76 1
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193634 78416217 1 FN3O4C20H21 AB3C4D20E21 -160.31 3.91 0.0 0.0 0
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193635 78416579 1 OCl2N4H14C15 AB2C4D14E15 55.43 4.87 -8.14 -2.24 0
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193636 78416580 1 ON3C25H27 AB3C25D27 82.05 5.68 -8.67 -2.18 0
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193637 78416581 1 Br2N2O3H16C23 A2B2C3D16E23 30.3 2.75 -9.23 -1.73 0
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193638 78416661 1 ClO2N3C21H22 AB2C3D21E22 -35.59 4.6 -8.43 -0.82 0
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193639 78416662 1 SN4O4C20H20 AB4C4D20E20 -25.32 4.9 -8.49 -0.96 0
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193640 78416663 1 N4O4H12C13 A4B4C12D13 -28.91 4.88 -9.23 -1.96 0
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193641 78417509 1 ClNSO4H24C26 ABCD4E24F26 -89.04 6.89 -9.24 -0.48 0