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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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9525 90546 1 SN2O3C4H8 AB2C3D4E8 -137.09 4.84 -9.44 -0.07 0
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9527 90557 1 I2C9H18 A2B9C18 -16.15 1.38 -9.74 -0.79 0
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9528 90558 2 O2C3H4 A2B3C4 -160.25 5.35 -11.25 -0.71 0
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9529 90559 2 SO3H5C7 AB3C5D7 -216.86 6.51 -9.3 -1.67 0
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9530 90602 1 O4C17H20 A4B17C20 -133.03 2.66 -8.46 0.13 0
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9531 90603 2 OC5H7 AB5C7 -82.14 3.07 -9.54 0.19 0
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9532 90604 2 NOC2H3 ABC2D3 -31.39 7.07 -10.52 -0.23 0
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9533 90607 1 O3C16H16 A3B16C16 -89.47 3.64 -9.24 -0.62 0
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9534 90610 1 NO5C7H17 AB5C7D17 -236.28 4.35 -8.99 0.69 0
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9535 90611 1 ClN3O5C20H26 AB3C5D20E26 10.57 19.88 -8.82 -2.24 0
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9536 90616 1 SN2O13C34H50 AB2C13D34E50 -551.07 7.92 -8.87 -0.92 0
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9537 90627 1 ClOPS2C12H18 ABCD2E12F18 -118.66 5.31 -9.01 -0.81 0
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9538 90693 1 SO2N3C7H7 AB2C3D7E7 33.9 6.96 -9.64 -1.31 0
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9539 90720 1 O2C15H24 A2B15C24 -115.15 2.39 -9.04 0.83 0
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9540 90724 1 S2N3O3C6H15 A2B3C3D6E15 -121.81 1.25 -9.23 -1.3 0
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9541 90735 1 N2O4C13H24 A2B4C13D24 -194.87 3.75 -10.13 0.5 0
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9542 90737 2 SN2O2H9C10 AB2C2D9E10 -91.29 4.4 -9.21 -1.22 0
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9543 90738 1 SN4O4H18C20 AB4C4D18E20 -99.69 2.83 -9.22 -0.57 0
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9544 90752 3 NC6H7 AB6C7 76.69 2.13 -8.7 0.15 0
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9545 90756 1 NCl2O3H13C16 AB2C3D13E16 -94.78 4.35 -9.65 -0.97 0
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9546 90758 2 C9H16 A9B16 -67.84 0.12 -10.0 3.78 0
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9547 90787 1 NOC8H17 ABC8D17 -42.29 1.59 -9.59 1.01 0
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9548 90819 1 O3C8H18 A3B8C18 -160.59 2.66 -10.11 1.65 0
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9549 90838 1 O4C27H52 A4B27C52 -286.94 6.53 -10.59 0.6 0
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9550 90846 1 O2C13H22 A2B13C22 -117.06 1.92 -10.54 0.83 0
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9551 90873 2 O3C6H8 A3B6C8 -252.83 5.48 -10.04 -1.18 0
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9552 90875 1 NO2C9H19 AB2C9D19 -129.82 3.32 -9.8 1.03 0
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9553 90899 1 O2C13H20 A2B13C20 -76.9 2.38 -10.05 -0.18 0
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9554 90900 2 O2C8H11 A2B8C11 -181.04 6.91 -10.53 -1.17 0
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9555 90904 1 S2N4O4C21H21 A2B4C4D21E21 -44.21 7.94 0.0 0.0 1
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9556 90908 1 NOC5H11 ABC5D11 -56.31 3.62 -9.42 2.57 0
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9557 90909 1 ClO4C16H23 AB4C16D23 -180.61 3.68 -9.19 -0.36 0
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9558 90916 4 NOC6H9 ABC6D9 -172.04 3.82 -10.39 -0.5 0
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9559 90919 1 NOC7H9 ABC7D9 -20.87 4.04 -10.02 -0.1 0
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9560 90924 1 OC10H22 AB10C22 -99.34 1.79 -10.27 3.03 0
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9561 90954 1 N3O3C7H11 A3B3C7D11 -29.34 6.91 -10.02 -1.14 0
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9562 90959 1 PbO4C18H34 AB4C18D34 -217.25 1.59 -8.03 -1.16 0
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9563 90961 1 N3O3C7H7 A3B3C7D7 -83.58 4.22 -9.96 -0.64 0
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9564 90962 1 F2O6C25H32 A2B6C25D32 -353.39 9.66 -9.92 -0.72 0
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9565 91038 1 SCl2N2C25H26 AB2C2D25E26 56.17 3.25 -8.47 -0.4 0
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9566 91040 1 ClOSN2C26H29 ABCD2E26F29 29.14 2.93 -8.28 -0.32 0
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9567 91044 1 ClSN2C26H29 ABC2D26E29 55.32 1.64 -8.14 -0.44 0
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9568 91045 1 ClSN2O4C28H31 ABC2D4E28F31 -104.32 1.9 -8.42 -1.11 0
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9569 91046 1 ClSN2C26H29 ABC2D26E29 57.46 2.7 -8.25 -0.39 0
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9570 91048 1 ClSN3C24H26 ABC3D24E26 71.18 3.37 -8.45 -0.39 0
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9571 91057 1 NOC22H27 ABC22D27 1.15 1.1 -8.3 0.36 0
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9572 91065 1 ClN3C26H30 AB3C26D30 70.35 2.53 -8.68 -0.2 0
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9573 91066 1 ClSN3O4C26H28 ABC3D4E26F28 -116.32 2.22 -9.09 -0.51 0
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9574 91079 1 ClON2C22H29 ABC2D22E29 -24.78 2.81 -8.42 -0.11 0
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9575 91131 1 O5C12H14 A5B12C14 -161.8 7.79 -8.41 -0.82 0