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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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14442 411526 1 C4N5H7 A4B5C7 64.16 2.98 -8.88 -0.56 0
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14443 411557 1 NOH16C21 ABC16D21 58.6 4.46 0.0 0.0 1
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14444 411628 1 NO2C18H20 AB2C18D20 3.29 4.13 0.0 0.0 1
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14445 411635 1 ClNC19H22 ABC19D22 21.2 0.93 -8.66 0.01 0
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14446 411657 1 NO2C22H23 AB2C22D23 -8.77 4.39 -8.14 0.03 0
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14447 411658 1 O9C22H24 A9B22C24 -315.27 5.47 -8.7 -0.63 0
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14448 411660 1 N2C23H34 A2B23C34 -4.26 1.16 -7.98 0.13 0
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14449 411677 1 O2N3C19H29 A2B3C19D29 -88.37 5.54 -8.75 0.17 0
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14450 411841 1 BrSO3C7H7 ABC3D7E7 -90.12 4.1 -9.93 -1.34 0
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14451 411854 1 N3O3C16H35 A3B3C16D35 -106.37 6.11 -9.15 -0.3 0
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14452 411933 1 NO3C21H27 AB3C21D27 -102.31 1.34 -8.79 0.05 0
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14453 411950 1 N2O3C15H22 A2B3C15D22 -107.82 2.61 -8.88 -0.05 0
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14454 411984 1 NOSH10C11 ABCD10E11 32.57 1.44 0.0 0.0 1
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14455 412005 2 NC8H14 AB8C14 -8.31 3.28 -7.87 0.81 0
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14456 412006 2 NC8H14 AB8C14 -2.7 2.41 -7.76 0.71 0
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14457 412007 1 NOBr2H16C17 ABC2D16E17 12.87 7.48 0.0 0.0 1
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14458 412009 1 BrNOC17H18 ABCD17E18 -9.91 7.54 -8.16 -0.69 0
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14459 412010 1 ClNOC17H18 ABCD17E18 -11.86 7.2 -8.53 -0.62 0
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14460 412027 1 NSO4C10H17 ABC4D10E17 -192.69 0.88 -9.22 -0.31 0
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14461 412116 1 ClNO2S2H16C24 ABC2D2E16F24 27.49 3.13 -8.7 -1.54 0
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14462 412126 1 ON5C8H11 AB5C8D11 44.51 6.46 -9.54 -1.08 0
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14463 412127 1 ON5C7H9 AB5C7D9 53.7 6.2 -9.6 -1.15 0
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14464 412134 1 ON3H21C24 AB3C21D24 85.38 1.5 -7.89 -0.98 0
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14465 412145 1 OH15C21 AB15C21 58.43 0.82 0.0 0.0 1
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14466 412173 1 SC5H5N5 AB5C5D5 141.61 6.75 -9.79 -2.21 0
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14467 412203 1 ON2C19H24 AB2C19D24 3.63 4.36 -8.0 0.4 0
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14469 412220 1 ON2C21H44 AB2C21D44 -109.47 3.04 -9.16 1.05 0
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14470 412314 1 SN2O4C7H16 AB2C4D7E16 -167.04 3.81 -9.06 -0.34 0
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14471 412405 1 N2O3C17H26 A2B3C17D26 -138.35 5.15 -9.09 -0.51 0
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14472 412406 1 N2O3C18H28 A2B3C18D28 -141.5 6.53 -9.09 -0.53 0
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14473 412407 1 ClN2O3C13H19 AB2C3D13E19 -129.95 1.01 -8.71 -1.04 0
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14474 412484 1 ClN2O2C11H15 AB2C2D11E15 -77.26 2.57 -9.01 -0.35 0
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14475 412523 1 N2O3C17H26 A2B3C17D26 -140.69 2.4 -9.18 -0.64 0
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14476 412570 1 ClNO2C17H18 ABC2D17E18 -49.61 3.25 -9.12 -0.17 0
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14477 412572 1 ClON2C18H25 ABC2D18E25 -4.22 0.66 -8.47 -0.48 0
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14478 412584 2 N3C5H8 A3B5C8 111.45 9.36 -9.57 -1.67 0
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14479 412744 1 N2O3C13H18 A2B3C13D18 -120.81 2.69 -9.0 -0.6 0
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14480 412757 1 ClN2O2C13H17 AB2C2D13E17 -76.97 4.73 -8.77 -0.23 0
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14481 412761 1 ClN2O3C17H27 AB2C3D17E27 -136.73 1.6 -8.73 -0.65 0
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14482 412773 1 NOC16H27 ABC16D27 -61.03 2.57 -9.0 0.36 0
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14483 412798 1 ClNC9H18 ABC9D18 -35.45 3.02 -8.8 0.91 0
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14484 412855 1 ON2C12H19 AB2C12D19 -32.52 4.85 0.0 0.0 1
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14485 412917 2 N2C9H12 A2B9C12 46.5 2.32 -8.32 -0.58 0
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14486 412954 1 PN2O2C10H21 AB2C2D10E21 -120.48 2.82 -9.71 1.02 0
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14487 413038 1 SO2N3C5H11 AB2C3D5E11 -74.85 1.03 -9.48 -0.28 0
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14488 413051 1 NOC10H19 ABC10D19 -62.96 2.51 -8.75 0.77 0
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14489 413114 1 N2C13H20 A2B13C20 23.15 2.07 -8.61 0.42 0
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14490 413163 1 S2N6O12H20C25 A2B6C12D20E25 -156.91 5.72 -8.45 -2.78 0
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14491 413263 1 OCl2N5H7C10 AB2C5D7E10 89.8 6.96 -9.98 -1.79 0
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14492 413264 1 ClON5H8C10 ABC5D8E10 92.8 6.85 -9.88 -1.62 0