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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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216523 85086365 1 ClO2N4H9C12 AB2C4D9E12 -4.81 8.31 -10.33 -1.89 0
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216524 85086366 1 NO3C17H17 AB3C17D17 -56.36 4.95 -8.75 -0.57 0
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216525 85086367 1 N3O4C13H15 A3B4C13D15 -28.23 7.28 -10.15 -1.46 0
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216526 85086368 1 O3N5C12H15 A3B5C12D15 -39.77 5.47 -9.76 -1.18 0
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216527 85086369 1 SN5H7C14 AB5C7D14 192.53 5.77 -9.32 -2.25 0
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216528 85086372 1 NOC19H19 ABC19D19 24.16 3.54 -8.4 -0.02 0
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216529 85086374 1 ClNO3H12C14 ABC3D12E14 -33.84 2.26 -9.75 -0.78 0
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216530 85086375 1 F3O3N4C9H9 A3B3C4D9E9 -177.93 4.84 -8.69 -1.27 0
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216531 85086376 1 O5C15H18 A5B15C18 -182.37 6.21 -9.75 -0.22 0
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216532 85086378 1 ON4H14C16 AB4C14D16 90.69 8.8 -8.67 -2.1 0
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216533 85086379 1 SO4C14H14 AB4C14D14 -133.69 2.28 -9.71 -1.04 1
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216534 85086380 1 NO2H16C18 AB2C16D18 39.68 1.16 0.0 0.0 0
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216535 85086382 2 O2C8H11 A2B8C11 -159.11 3.03 -9.83 -0.83 0
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216536 85086383 1 O2H18C19 A2B18C19 -46.3 4.37 -8.84 -0.36 0
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216537 85086384 1 O2H18C19 A2B18C19 83.48 3.21 -8.77 -0.51 0
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216538 85086385 1 N2O3C15H22 A2B3C15D22 -97.08 3.71 -9.36 0.01 0
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216539 85086386 1 N2O3C15H22 A2B3C15D22 -126.33 3.11 -9.53 -0.42 0
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216540 85086387 1 O3C17H26 A3B17C26 -164.98 3.07 -9.52 0.89 0
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216541 85086389 1 SiO2C16H26 AB2C16D26 -106.1 1.92 -8.12 0.31 0
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216542 85086393 1 ON5C15H23 AB5C15D23 -11.81 6.83 -8.55 0.52 0
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216543 85086394 1 N7H13C14 A7B13C14 157.8 5.81 -8.44 -1.56 0
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216544 85086395 1 NO2H17C18 AB2C17D18 -36.3 3.23 -8.97 -0.92 0
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216545 85086397 1 NO3C16H25 AB3C16D25 -152.8 1.66 -8.78 0.53 0
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216546 85086399 1 ClNO2C15H18 ABC2D15E18 -40.71 3.65 -8.91 -0.4 0
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216547 85086400 1 BrNO2H10C12 ABC2D10E12 3.21 3.06 -9.47 -1.04 0
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216548 85086403 1 N2O5C13H16 A2B5C13D16 -138.94 5.4 -9.51 -0.44 0
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216549 85086404 1 O3N6C11H16 A3B6C11D16 -32.7 1.65 -9.47 -0.82 0
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216550 85086405 1 FO4C15H17 AB4C15D17 -207.69 4.38 -9.69 -0.5 0
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216551 85086408 2 NO2C7H10 AB2C7D10 -166.63 2.74 -9.76 -1.1 0
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216552 85086409 1 ON4C16H20 AB4C16D20 34.62 5.77 -8.26 -0.31 0
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216553 85086411 4 OC4H6 AB4C6 -146.76 3.89 -8.76 -0.04 0
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216554 85086414 1 SO3C15H20 AB3C15D20 -93.68 5.88 -10.05 -0.47 0
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216555 85086415 1 SO3C15H20 AB3C15D20 -123.09 7.07 -9.53 -0.16 0
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216556 85086416 1 O3C17H28 A3B17C28 -170.16 0.8 -10.13 -0.12 0
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216557 85086417 1 SO2C16H24 AB2C16D24 -104.91 2.98 -8.76 -0.17 0
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216558 85086418 1 SiO2C16H28 AB2C16D28 -115.42 1.85 -9.1 0.4 0
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216559 85086419 1 ClO4H13C14 AB4C13D14 -123.63 4.73 -9.42 -1.23 0
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216560 85086420 1 ClO3C15H17 AB3C15D17 -94.95 2.67 -9.81 -0.74 0
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216561 85086424 1 O2N3C16H19 A2B3C16D19 -38.59 4.92 -9.4 -0.3 0
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216562 85086426 1 NOC19H23 ABC19D23 7.29 0.84 -9.17 0.34 0
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216563 85086428 1 NC20H27 AB20C27 4.87 0.63 -8.46 0.49 0
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216564 85086429 1 ClNOSC14H16 ABCDE14F16 -34.95 2.89 -8.82 -0.37 0
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216565 85086433 1 ON2F3H11C14 AB2C3D11E14 -136.78 5.73 -9.03 -2.0 0
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216566 85086434 2 O3C7H9 A3B7C9 -249.46 5.4 -10.44 -0.09 0
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216567 85086435 1 O4H14C17 A4B14C17 -110.71 0.21 -9.45 -0.91 0
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216568 85086436 2 NSO2H3C5 ABC2D3E5 57.42 0.03 -9.85 -2.53 0
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216569 85086437 1 SO7C10H18 AB7C10D18 -324.74 3.72 -10.28 -0.3 0
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216570 85086438 3 OC6H6 AB6C6 -74.11 3.7 -9.32 0.14 0
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216571 85086439 1 O2C19H22 A2B19C22 -54.9 1.51 -8.25 0.17 0
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216572 85086440 2 NOSC6H7 ABCD6E7 -50.27 6.66 -9.15 -1.31 0