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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40603 8144404 1 OSN5C14H19 ABC5D14E19 53.22 0.7 -8.74 -0.59 0
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40604 8144405 1 ClN2O3H11C17 AB2C3D11E17 26.82 6.1 -9.1 -1.71 1
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40605 8144406 1 O2N4C17H25 A2B4C17D25 -54.06 4.79 0.0 0.0 0
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40606 8144407 1 O2N4C17H24 A2B4C17D24 -68.5 7.77 -9.32 -0.73 0
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40607 8144408 1 O2N7C21H23 A2B7C21D23 43.06 9.11 -9.04 -1.17 0
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40608 8144410 1 SO2N5C17H19 AB2C5D17E19 24.74 0.88 -8.62 -1.18 1
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40609 8144414 1 N3O3C16H22 A3B3C16D22 -83.88 2.86 0.0 0.0 1
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40610 8144416 1 N3O3C16H22 A3B3C16D22 -83.76 2.97 0.0 0.0 0
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40611 8144417 1 N3O3C16H21 A3B3C16D21 -106.31 3.13 -8.81 -0.1 1
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40612 8144418 1 SO2N4C20H25 AB2C4D20E25 -31.89 5.6 0.0 0.0 0
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40613 8144419 1 SO2N4C20H24 AB2C4D20E24 -49.23 5.67 -8.79 -0.97 1
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40614 8144421 1 N3O3C18H32 A3B3C18D32 -138.55 3.35 0.0 0.0 1
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40615 8144425 1 N3O3C15H20 A3B3C15D20 -75.38 3.21 0.0 0.0 0
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40616 8144426 1 N3O3C15H19 A3B3C15D19 -95.29 3.35 -8.93 -0.3 1
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40617 8144427 1 N3O3C15H20 A3B3C15D20 -75.17 3.14 0.0 0.0 0
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40618 8144429 1 IN2O2H11C16 AB2C2D11E16 13.77 6.28 -8.93 -1.05 1
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40619 8144430 1 N3O3C16H22 A3B3C16D22 -79.37 3.21 0.0 0.0 0
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40620 8144431 1 N3O3C16H21 A3B3C16D21 -101.61 2.8 -9.0 -0.11 1
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40621 8144432 1 N3O3C16H22 A3B3C16D22 -79.12 2.7 0.0 0.0 1
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40622 8144434 1 N3O3C19H22 A3B3C19D22 -56.03 2.53 0.0 0.0 0
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40623 8144435 1 N3O3C19H21 A3B3C19D21 -79.14 2.85 -9.03 -0.84 0
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40624 8144437 1 SN4O4C17H24 AB4C4D17E24 -169.35 7.9 -8.87 -1.14 1
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40625 8144439 1 N3O3C19H22 A3B3C19D22 -56.29 3.24 0.0 0.0 1
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40626 8144441 1 N3O3C14H26 A3B3C14D26 -130.6 2.61 0.0 0.0 0
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40627 8144442 1 N3O3C14H25 A3B3C14D25 -153.76 2.7 -9.02 0.19 1
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40628 8144443 1 N3O3C14H26 A3B3C14D26 -130.86 3.46 0.0 0.0 0
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40629 8144445 1 F2N2H16C21 A2B2C16D21 16.68 3.25 -8.36 -0.58 1
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40630 8144448 1 SO3N4C18H23 AB3C4D18E23 -57.21 5.87 0.0 0.0 0
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40631 8144449 1 SO3N4C18H22 AB3C4D18E22 -74.3 1.36 -8.69 -1.25 1
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40632 8144450 1 N3O3C19H22 A3B3C19D22 -59.56 3.3 0.0 0.0 0
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40633 8144451 1 N3O3C19H21 A3B3C19D21 -81.72 2.87 -8.98 -0.66 1
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40634 8144452 1 N3O3C17H30 A3B3C17D30 -136.39 3.14 0.0 0.0 0
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40635 8144453 1 N3O3C17H29 A3B3C17D29 -159.17 3.6 -8.96 0.18 1
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40636 8144454 1 ClN3O3C16H21 AB3C3D16E21 -89.16 2.08 0.0 0.0 0
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40637 8144455 1 ClN3O3C16H20 AB3C3D16E20 -111.27 2.68 -9.07 -0.43 0
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40638 8144456 1 F2N2H16C21 A2B2C16D21 16.61 3.45 -8.4 -0.59 1
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40639 8144457 1 ClN3O3C16H21 AB3C3D16E21 -89.22 1.49 0.0 0.0 0
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40640 8144458 1 ClN3O3C16H20 AB3C3D16E20 -111.81 2.56 -9.13 -0.44 1
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40641 8144459 1 N3O4C20H24 A3B4C20D24 -100.31 3.15 0.0 0.0 0
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40642 8144460 1 N3O4C20H23 A3B4C20D23 -122.51 3.78 -8.66 -0.67 1
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40643 8144461 1 N3O4C20H24 A3B4C20D24 -99.82 3.07 0.0 0.0 0
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40644 8144462 1 N3O4C20H23 A3B4C20D23 -122.45 3.34 -8.7 -0.71 1
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40645 8144463 1 Cl2N3O3C15H18 A2B3C3D15E18 -91.87 2.5 0.0 0.0 0
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40646 8144465 1 SN3O4C19H21 AB3C4D19E21 -112.03 4.56 -9.54 -0.58 1
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40647 8144466 1 Cl2N3O3C15H18 A2B3C3D15E18 -91.28 3.43 0.0 0.0 0
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40648 8144467 1 Cl2N3O3C15H17 A2B3C3D15E17 -115.58 1.85 -9.16 -0.87 0
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40649 8144469 1 N3O3C14H23 A3B3C14D23 -145.51 3.09 -9.0 0.17 0
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40650 8144472 1 SN3O4C19H21 AB3C4D19E21 -112.48 3.0 -9.6 -0.59 1
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40651 8144473 1 ClSO2N4C20H24 ABC2D4E20F24 -32.85 6.63 0.0 0.0 1
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40652 8144475 1 N3O3C14H24 A3B3C14D24 -123.4 2.68 0.0 0.0 0
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40653 8144478 1 N3O3C14H23 A3B3C14D23 -144.66 3.22 -8.98 0.2 1
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40654 8144479 1 SO2N4C18H21 AB2C4D18E21 57.61 8.64 0.0 0.0 0
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40655 8144480 1 SO2N4C18H20 AB2C4D18E20 32.11 4.31 -8.4 -0.76 1
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40656 8144481 1 N3O5C22H26 A3B5C22D26 -122.62 3.35 0.0 0.0 0
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40657 8144482 1 N3O5C22H25 A3B5C22D25 -144.58 4.71 -8.9 -0.15 1
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40658 8144483 1 ClOSN4C18H24 ABCD4E18F24 36.18 6.3 0.0 0.0 1
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40659 8144485 1 ClOSN4C20H22 ABCD4E20F22 68.41 4.31 0.0 0.0 1
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40660 8144487 1 ClOSN4C14H18 ABCD4E14F18 44.45 3.81 0.0 0.0 0
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40661 8144488 1 ClOSN4C14H17 ABCD4E14F17 28.53 3.01 -8.4 -0.96 0
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40662 8144490 1 SO3N4C21H24 AB3C4D21E24 -8.24 4.28 -8.28 -0.63 1
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40663 8144491 1 OSN3C22H22 ABC3D22E22 60.6 4.72 0.0 0.0 0
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40664 8144492 1 OSN3H21C22 ABC3D21E22 49.49 8.78 -8.99 -0.42 1
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40665 8144493 1 SO3N4C21H23 AB3C4D21E23 14.73 5.25 0.0 0.0 0
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40666 8144494 1 SO3N4C21H22 AB3C4D21E22 -3.61 4.65 -8.41 -0.6 1
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40667 8144497 1 OSN3C22H22 ABC3D22E22 49.7 6.09 0.0 0.0 0
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40668 8144498 1 OSN3H21C22 ABC3D21E22 54.91 7.33 -8.89 -0.68 1
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40669 8144499 1 SO2N4C23H27 AB2C4D23E27 54.29 2.65 0.0 0.0 0
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40670 8144500 1 SO2N4C23H26 AB2C4D23E26 36.79 4.6 -8.48 -0.44 0
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40671 8144501 1 O2N7C22H25 A2B7C22D25 44.93 5.36 -8.57 -0.39 1
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40672 8144502 1 SO2N3C20H24 AB2C3D20E24 7.16 3.06 0.0 0.0 0
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40673 8144503 1 SO2N3C20H23 AB2C3D20E23 -8.91 5.14 -8.15 -0.53 0
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40674 8144505 1 OSN3C23H23 ABC3D23E23 41.49 6.74 -9.12 -0.54 1
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40675 8144506 1 SO2N4C17H25 AB2C4D17E25 -0.33 6.31 0.0 0.0 0
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40676 8144511 1 OSN3C23H23 ABC3D23E23 42.88 7.43 -9.05 -0.68 1
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40677 8144514 1 N3O5C18H26 A3B5C18D26 -161.6 4.23 0.0 0.0 1