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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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326372 126687417 2 FNOC11H13 ABCD11E13 -152.23 1.04 -8.78 -0.23 0
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326373 126687420 1 ClOPSH2I2N2C4 ABCDE2F2G2H4 -40.1 4.0 -9.83 -2.48 0
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326374 126687422 2 NOC11H14 ABC11D14 -59.8 1.17 -8.76 -0.32 0
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326375 126687423 1 FN2O3C21H25 AB2C3D21E25 -126.81 4.77 -9.2 -0.72 0
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326376 126687427 1 NO2C23H35 AB2C23D35 -118.84 1.6 -8.77 0.11 0
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326377 126687428 1 ClN2O3C21H25 AB2C3D21E25 -91.01 5.78 -8.82 -1.08 0
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326378 126687429 1 NO2C22H27 AB2C22D27 -42.24 0.91 -8.94 0.08 0
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326379 126687430 1 O8C21H26 A8B21C26 -308.34 6.11 -8.93 -0.4 0
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326380 126687432 1 F2N2O2C21H24 A2B2C2D21E24 -147.45 1.12 -8.81 -0.27 0
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326381 126687437 1 FO2N3C20H24 AB2C3D20E24 -87.56 4.64 -9.01 -0.45 0
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326382 126687439 1 ClNOC9H10 ABCD9E10 -19.22 2.36 -10.18 -1.2 0
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326383 126687440 1 NC11H25 AB11C25 -53.43 1.26 -8.62 3.12 0
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326384 126687442 2 ON2C10H14 AB2C10D14 -73.75 6.13 -8.88 -0.61 0
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326385 126687443 1 O2F3N6H31C33 A2B3C6D31E33 -106.73 4.06 -8.85 -1.21 0
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326386 126687445 1 O3C10H16 A3B10C16 -154.54 3.19 -9.9 0.4 0
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326387 126687448 1 NSO2C22H27 ABC2D22E27 -68.73 2.78 -8.45 0.03 0
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326388 126687450 1 O2C9H16 A2B9C16 -120.2 4.07 -9.95 0.75 -1
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326389 126687454 1 NOC8H10 ABC8D10 14.82 3.57 0.0 0.0 0
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326390 126687455 1 NOC9H11 ABC9D11 52.87 4.22 -8.86 -1.04 0
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326391 126687456 1 NOC10H11 ABC10D11 -4.6 3.32 -9.75 -0.25 0
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326392 126687457 1 NO2C10H17 AB2C10D17 -97.49 3.96 -10.57 0.98 0
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326393 126687462 1 FO2N3C21H26 AB2C3D21E26 -81.99 3.62 -8.66 -0.51 0
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326394 126687463 1 NO3C25H33 AB3C25D33 -116.82 1.11 -8.65 0.36 0
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326395 126687466 1 FN2O2C22H27 AB2C2D22E27 -106.81 0.9 -8.74 -0.25 0
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326396 126687469 2 BrN3H27C33 AB3C27D33 266.87 3.08 -8.16 -1.45 0
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326397 126687470 1 N3C10H15 A3B10C15 58.83 1.66 -8.9 0.02 0
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326398 126687471 1 O2F3N7H24C26 A2B3C7D24E26 -77.76 4.91 -8.6 -1.07 0
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326399 126687477 1 ClINOC8H11 ABCDE8F11 -1.04 2.4 -9.02 -1.18 0
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326400 126687478 1 SO6C23H30 AB6C23D30 -244.83 5.37 -8.58 -0.26 0
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326401 126687479 1 FO2N3H12C17 AB2C3D12E17 -17.24 4.14 -9.52 -1.5 0
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326402 126687481 1 ClNOC9H14 ABCD9E14 -15.61 2.65 -8.72 0.33 0
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326403 126687482 1 NOC9H15 ABC9D15 -4.64 0.6 -8.41 0.95 0
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326404 126687483 1 INOC8H12 ABCD8E12 9.59 1.46 -8.74 -0.98 0
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326405 126687484 1 N2C9H16 A2B9C16 30.81 2.71 -8.42 0.57 0
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326406 126687485 2 O2C6H9 A2B6C9 -200.38 5.96 -10.33 0.32 0
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326407 126687487 1 ON2C9H18 AB2C9D18 -55.8 1.15 -9.16 2.14 0
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326408 126687488 1 N5C16H27 A5B16C27 30.99 5.55 -8.86 0.33 0
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326409 126687489 1 NOC28H37 ABC28D37 15.06 4.86 -8.15 -0.13 0
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326410 126687490 1 N2O7C23H34 A2B7C23D34 -281.45 6.32 -8.57 0.31 0
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326411 126687491 1 N2O7C23H34 A2B7C23D34 -286.68 5.74 -8.55 0.33 0
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326412 126687499 1 O2N3H13C17 A2B3C13D17 24.04 5.01 -9.44 -1.23 0
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326413 126687500 1 N2O2H16C17 A2B2C16D17 -17.04 6.02 -9.2 -0.79 0
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326414 126687502 1 FBr2O2H5C8 AB2C2D5E8 -93.23 2.4 -9.9 -1.3 0
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326415 126687503 2 NOH8C9 ABC8D9 20.84 6.53 -9.16 -0.79 0
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326416 126687506 1 BrO2N3H12C17 AB2C3D12E17 29.7 4.45 -9.49 -1.46 0
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326417 126687508 1 IO2N3H12C17 AB2C3D12E17 43.32 4.46 -9.46 -1.56 0
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326418 126687511 1 N9O13C52H77 A9B13C52D77 -583.52 3.88 -9.09 -0.79 0
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326419 126687514 1 OC29H38 AB29C38 6.73 1.13 -8.42 0.39 0
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326420 126687516 1 ClO2N3H12C17 AB2C3D12E17 18.29 4.09 -9.48 -1.47 0
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326421 126687518 1 ClN2O2H15C17 AB2C2D15E17 -26.07 5.13 -9.28 -0.93 0
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326422 126687520 2 NOC9H9 ABC9D9 -25.41 5.94 -9.14 -0.74 0
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326423 126687524 1 O9H42C43 A9B42C43 -263.06 4.78 -8.78 -0.94 0
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326424 126687526 1 ON4H20C27 AB4C20D27 165.59 4.93 -8.62 -0.57 0
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326425 126687527 2 NH17C19 AB17C19 138.83 2.86 -7.77 -0.09 0
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326426 126687530 1 NOC19H21 ABC19D21 24.11 2.47 -9.03 0.26 0
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326427 126687531 1 SO4C6H10 AB4C6D10 -157.92 4.23 -9.99 -0.03 0
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326428 126687532 1 O2N4C19H22 A2B4C19D22 40.31 4.64 -9.06 0.03 0
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326429 126687534 1 NO3C19H23 AB3C19D23 -82.48 2.64 -9.08 0.18 0
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326430 126687535 1 N2O2C19H24 A2B2C19D24 -34.07 2.51 -8.74 0.29 0
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326431 126687536 1 Br2N2O2H14C17 A2B2C2D14E17 -10.61 5.61 -9.3 -1.08 0
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326432 126687538 1 BrClN2O2H12C16 ABC2D2E12F16 -12.15 4.2 -9.37 -1.14 0
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326433 126687541 1 N2O2F3H13C17 A2B2C3D13E17 -170.19 4.67 -9.4 -1.17 0
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326434 126687542 2 INOH6C8 ABCD6E8 25.45 4.64 -9.34 -1.61 0
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326435 126687543 1 BrN2O2F3H12C17 AB2C2D3E12F17 -163.98 4.2 -9.46 -1.38 0
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326436 126687546 1 ClNOC9H10 ABCD9E10 43.99 3.09 -9.12 -1.39 0
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326437 126687547 1 Br2N2O3H14C17 A2B2C3D14E17 -39.86 5.15 -9.19 -1.13 0
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326438 126687548 1 Br2N2O3H12C16 A2B2C3D12E16 -42.67 4.32 -9.38 -1.2 0
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326439 126687549 1 ClN2H9C10 AB2C9D10 41.08 5.1 -10.14 -1.16 0
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326440 126687552 1 ON4H22C26 AB4C22D26 99.88 5.29 -8.66 -0.61 0
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326441 126687553 1 NC11H25 AB11C25 -53.84 1.86 -9.1 3.6 0
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326442 126687554 1 NSC18H19 ABC18D19 61.35 1.57 -8.31 -0.31 0
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326443 126687560 1 ON4C41H52 AB4C41D52 132.96 3.3 -7.97 -0.52 0
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326444 126687562 3 OC7H12 AB7C12 -173.48 1.85 -8.52 0.46 0
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326445 126687565 1 N9O11C56H79 A9B11C56D79 -467.66 8.67 -8.81 -0.76 0
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326446 126687568 1 N8O11C44H66 A8B11C44D66 -496.43 2.67 -9.43 -0.95 0