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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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11530 117275 1 OC12H18 AB12C18 -54.59 1.75 -9.44 0.25 0
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11531 117288 1 OC15H24 AB15C24 -63.11 3.56 -9.59 0.86 0
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11532 117300 2 NC3H7 AB3C7 -5.74 1.66 -8.45 2.97 0
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11533 117309 2 OC13H25 AB13C25 -185.51 1.98 -9.53 0.9 0
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11534 117321 1 NO3H23C28 AB3C23D28 -28.73 5.42 -8.46 -0.73 0
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11535 117324 1 NO2C9H11 AB2C9D11 -61.69 2.46 -9.71 -0.14 0
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11536 117338 1 NOC8H15 ABC8D15 -64.42 1.87 -9.72 1.39 0
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11537 117371 2 ClNOC10H14 ABCD10E14 -116.16 2.58 -8.2 -0.24 0
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11538 117372 2 NOC10H13 ABC10D13 -41.26 5.51 -8.09 0.16 0
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11539 117386 1 O5C8H16 A5B8C16 -225.23 2.72 -9.67 -0.02 0
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11540 117387 1 N3O3C14H17 A3B3C14D17 -14.18 7.8 -8.54 -1.4 0
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11541 117390 1 S2N3O6C17H17 A2B3C6D17E17 -144.08 0.83 -8.56 -1.71 0
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11542 117392 1 N3C18H29 A3B18C29 11.6 2.47 -7.85 0.62 0
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11543 117394 1 N3C20H25 A3B20C25 46.54 1.68 -8.23 0.43 0
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11544 117396 1 NO2C22H29 AB2C22D29 -69.45 1.99 -8.8 0.04 0
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11545 117398 1 NO4C25H31 AB4C25D31 -152.37 2.05 -8.68 0.03 0
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11546 117406 1 OSiC11H16 ABC11D16 -65.44 0.95 -9.26 -0.1 0
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11547 117416 2 OSCl2H2C8 ABC2D2E8 -15.5 0.01 -8.8 -2.09 0
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11548 117420 1 MgC12O12H14 AB12C12D14 -517.63 1.76 -9.54 -1.84 0
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11549 117425 2 O2C7H8 A2B7C8 -155.99 3.69 -10.36 -0.83 0
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11550 117429 1 NNaSO4H8C10 ABCD4E8F10 -166.73 5.83 -8.26 -0.47 0
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11551 117435 1 ClN4C13H13 AB4C13D13 72.73 5.83 -9.82 -0.96 0
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11552 117441 1 NPH2 ABC2 84.66 5.62 -9.34 -0.12 0
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11553 117453 1 ClO2H13C18 AB2C13D18 -3.67 3.91 -9.13 -0.42 0
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11554 117463 1 NO3C17H19 AB3C17D19 -86.76 3.1 -9.41 0.03 0
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11555 117466 2 NO2C6H11 AB2C6D11 -189.08 2.64 -10.16 0.37 0
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11556 117492 2 NO2C6H12 AB2C6D12 -219.79 2.82 -10.55 0.74 0
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11557 117503 2 NO2C4H7 AB2C4D7 -182.14 2.53 -10.1 0.2 0
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11558 117523 1 PS2O4C6H15 AB2C4D6E15 -236.38 3.31 -8.63 0.12 0
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11559 117575 2 OC15H20 AB15C20 -102.88 3.99 -9.34 -1.11 0
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11560 117604 1 O2C11H14 A2B11C14 -76.88 1.57 -9.59 0.22 0
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11561 117627 1 LaN AB -53.68 4.12 -5.99 4.41 0
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11562 117705 1 BrO6C16H17 AB6C16D17 -220.71 4.38 -8.94 -0.89 0
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11563 117723 1 N2O4C22H29 A2B4C22D29 -93.62 20.07 0.0 0.0 1
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11564 117728 1 N2O4C30H45 A2B4C30D45 -146.48 5.39 0.0 0.0 1
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11565 117734 3 NSiO4C7H15 ABC4D7E15 -797.11 2.27 -9.58 -0.06 0
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11566 117743 1 N2C7H12 A2B7C12 17.68 4.22 -9.23 1.31 0
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11567 117745 2 NOC3H5 ABC3D5 -10.12 9.17 -9.13 -0.23 0
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11568 117759 1 NH13C14 AB13C14 49.7 1.53 -8.31 0.28 0
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11569 117764 1 ClSN7O10C29H32 ABC7D10E29F32 -199.7 13.91 -8.72 -1.39 0
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11570 117792 1 OSSnC4H11 ABCD4E11 31.52 5.45 0.0 0.0 -1
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11571 117801 1 N2C5O6H10 A2B5C6D10 -85.93 3.27 -11.8 -1.28 0
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11572 117805 1 NC10H15 AB10C15 20.6 4.27 -9.3 0.88 0
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11573 117834 1 NSO8C17H29 ABC8D17E29 -364.83 7.31 -9.71 -1.39 0
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11574 117864 1 PO4C14H23 AB4C14D23 -255.07 3.64 -9.24 0.01 0
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11575 117869 1 NOC10H13 ABC10D13 -36.67 4.25 -9.54 -0.12 0
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11576 117883 1 N3O4H12C17 A3B4C12D17 79.02 9.16 0.0 0.0 1
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11577 117931 1 ON2C18H18 AB2C18D18 26.63 3.14 -8.38 -0.9 0
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11579 117934 1 N3O5C42H67 A3B5C42D67 -215.06 3.39 -8.04 0.3 0
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11580 117935 1 O4C9H16 A4B9C16 -193.16 2.46 -10.79 0.55 0
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11581 117970 1 N4C13H16 A4B13C16 30.54 1.57 -7.96 0.58 0
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11582 117984 1 ClN2O4C25H35 AB2C4D25E35 -157.23 5.63 -8.67 -0.07 0
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11583 117999 1 N2O5C26H38 A2B5C26D38 -168.0 3.31 -8.59 -0.08 0
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11584 118011 1 N2O2H12C13 A2B2C12D13 21.53 5.36 -9.42 -0.33 0
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11585 118012 1 N2O2H12C13 A2B2C12D13 22.08 5.29 -9.61 -0.33 0
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11586 118034 1 ClON2C17H25 ABC2D17E25 -39.88 3.42 -8.86 -0.1 0
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11587 118035 1 ClON2C15H21 ABC2D15E21 -34.59 4.61 -8.86 0.05 0
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11588 118037 1 ON2C17H26 AB2C17D26 -28.94 2.07 -8.66 0.43 0
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11589 118053 1 OCl2N2C13H16 AB2C2D13E16 -28.14 4.6 -9.07 -0.37 0
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11590 118056 1 ON2C16H24 AB2C16D24 -30.51 2.19 -8.77 0.53 0
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11591 118058 1 ON2C15H22 AB2C15D22 -24.14 2.91 -8.74 0.45 0
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11592 118059 1 ON2C17H26 AB2C17D26 -26.19 2.91 -8.53 0.46 0
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11593 118060 1 ClON2C16H23 ABC2D16E23 -38.18 4.86 -8.91 0.03 0
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11594 118080 1 SN2O5C20H22 AB2C5D20E22 -169.27 8.52 -9.4 -1.1 0
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11595 118087 1 NO5H15C16 AB5C15D16 -168.5 4.28 -8.96 -0.96 0
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11596 118088 2 OC6H9 AB6C9 -88.22 3.07 -9.44 0.84 0
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11597 118089 1 NO12C41H67 AB12C41D67 -594.42 3.88 -9.35 -0.02 0
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11598 118093 1 NO4C5H5 AB4C5D5 -151.0 3.67 -10.98 -0.76 0
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11599 118095 1 NOC6H15 ABC6D15 -59.31 2.12 -8.77 2.74 0
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11600 118104 2 OC3H5 AB3C5 -96.34 2.24 -10.05 0.29 0
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11601 118108 2 OC7H12 AB7C12 -127.53 5.26 -9.79 0.68 0
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11602 118116 4 OC5H10 AB5C10 -265.41 3.82 -10.56 0.29 0
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11603 118126 2 O3C8H9 A3B8C9 -228.38 3.48 -9.06 -0.79 0
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11604 118129 1 OC10H20 AB10C20 -88.46 2.15 -10.16 2.83 0
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11605 118134 1 OC13H22 AB13C22 -88.97 3.93 -9.86 0.79 0
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11606 118150 1 Cl2N2O3C13H30 A2B2C3D13E30 -150.78 2.24 -6.73 0.35 2
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11607 118153 1 NOC13H19 ABC13D19 -37.13 1.8 -8.93 0.25 0
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11608 118159 1 O5N8C22H26 A5B8C22D26 -117.99 1.76 -8.66 -1.13 0
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11609 118183 1 O2C13H22 A2B13C22 -110.9 2.47 -9.92 1.88 0
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11610 118184 1 O4C25H38 A4B25C38 -234.08 5.76 -9.25 0.76 0
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11611 118211 1 BrN6O8C19H21 AB6C8D19E21 -96.99 7.42 -8.41 -2.3 0
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11612 118212 1 ClNO4C10H14 ABC4D10E14 -199.98 0.92 -9.38 -0.36 0
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11613 118213 1 NO4C10H13 AB4C10D13 -164.22 1.54 -9.2 -0.21 0
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11614 118214 1 NOCl5C26H32 ABC5D26E32 -86.67 3.32 -9.15 -1.27 0
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11615 118215 1 NC20H31 AB20C31 -31.71 1.8 -8.88 0.58 0
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11616 118216 1 OBr5H7C9 AB5C7D9 -8.29 2.47 -9.85 -1.25 0
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11617 118217 2 ClO2C4H6 AB2C4D6 -216.31 0.19 -10.8 0.18 0
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11618 118218 1 N2O3C16H16 A2B3C16D16 -78.58 4.22 -9.68 -0.79 0
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11619 118220 1 O6C13H26 A6B13C26 -120.77 0.7 -9.2 -0.02 0
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11620 118222 1 SO6C7H12 AB6C7D12 -211.18 2.55 -10.53 -0.16 0
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11621 118225 2 O2C6H11 A2B6C11 -223.92 1.98 -10.81 0.8 0
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11622 118228 1 NaS2N5O6H12C18 AB2C5D6E12F18 -185.77 7.38 -8.94 -1.65 0
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11623 118229 1 S2N5O6H13C18 A2B5C6D13E18 -131.75 4.04 -9.4 -1.74 0
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11624 118230 1 S2N6C19H34 A2B6C19D34 13.73 4.72 -8.53 -0.42 0
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11626 118232 1 NC7H17 AB7C17 -36.33 1.78 -9.26 3.64 0
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11627 118233 1 OC18H26 AB18C26 -67.52 1.04 -8.54 0.41 0
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11628 118244 2 O2C11H12 A2B11C12 -143.84 2.48 -10.04 -0.61 0
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11629 118264 1 ClN2O2C13H15 AB2C2D13E15 -68.7 4.44 -9.95 -0.71 0
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11630 118288 1 OC33H60 AB33C60 -156.4 1.6 -8.36 0.49 0
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11631 118294 1 NPO6C40H84 ABC6D40E84 -464.03 13.37 -9.08 -0.31 0