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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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19408 563179 1 NC14H19 AB14C19 64.33 1.74 -8.74 0.5 0
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19409 563180 1 N2O4H18C19 A2B4C18D19 -8.72 7.15 -9.25 -1.42 0
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19410 563181 1 N2O5C14H18 A2B5C14D18 -196.99 4.44 -9.73 -0.13 0
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19411 563182 1 OC13H16 AB13C16 22.04 1.3 -9.35 0.35 0
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19412 563184 7 NC3H3 AB3C3 181.47 3.92 -8.64 -1.66 0
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19413 563186 1 NO2C14H21 AB2C14D21 -76.39 1.57 -8.89 0.43 0
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19414 563187 1 NO2C13H15 AB2C13D15 -46.86 5.49 -9.38 0.04 0
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19415 563188 1 NO4C37H53 AB4C37D53 -229.96 4.66 -9.48 0.13 0
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19416 563189 1 NO5C37H53 AB5C37D53 -270.89 3.13 -9.27 0.3 0
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19417 563193 1 OS2N3H10C12 AB2C3D10E12 34.59 3.64 0.0 0.0 1
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19418 563194 1 ClO2N3C20H24 AB2C3D20E24 -36.57 2.51 -8.73 -0.35 0
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19419 563234 1 PN3O3C19H20 AB3C3D19E20 -89.81 5.79 -8.87 -0.51 0
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19420 563305 1 N2O3C13H14 A2B3C13D14 -84.55 2.17 -9.79 -0.22 0
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19421 563359 1 O2N3C16H17 A2B3C16D17 12.38 1.62 -9.66 -0.76 0
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19422 563362 1 PN2O6H35C37 AB2C6D35E37 -193.76 3.99 -8.98 -0.06 0
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19423 563367 1 NO4C20H27 AB4C20D27 -182.21 2.54 -9.63 -0.12 0
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19424 563376 1 O2N3C16H19 A2B3C16D19 -27.39 1.38 -9.41 -0.73 0
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19425 563425 1 NO2C13H17 AB2C13D17 -72.64 4.75 -8.9 -0.22 0
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19426 563476 1 OC16H18 AB16C18 -13.59 1.23 -8.34 0.22 0
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19427 563487 1 ClN4H14C19 AB4C14D19 158.08 3.79 0.0 0.0 1
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19428 563490 1 O2C15H16 A2B15C16 -63.49 5.07 -9.46 0.2 0
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19429 563493 1 FO2H11C14 AB2C11D14 -61.1 4.68 -9.2 -0.99 0
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19430 563499 1 O2C35H54 A2B35C54 -156.29 1.98 -9.41 0.32 0
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19431 563573 1 SSiO5C33H42 ABC5D33E42 -201.58 0.88 -8.82 0.1 0
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19432 563607 1 FSN3C12H12 ABC3D12E12 7.38 1.11 -8.83 -0.4 0
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19433 563638 1 N2O2H12C15 A2B2C12D15 1.0 4.37 -8.97 -0.92 0
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19434 563639 1 NO3H17C18 AB3C17D18 -26.46 4.46 -8.78 -0.46 0
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19435 563642 1 NSO3C19H21 ABC3D19E21 -51.62 5.33 -8.34 -0.42 0
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19436 563645 1 NO9C35H35 AB9C35D35 -184.22 4.32 -9.28 -1.91 0
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19437 563715 1 N3O4H11C12 A3B4C11D12 -14.57 6.35 -10.08 -1.16 0
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19438 563744 1 N2O4H14C17 A2B4C14D17 10.84 3.41 -9.9 -1.79 0
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19439 563745 1 NO2C17H17 AB2C17D17 5.61 1.36 -8.47 -0.1 0
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19440 563884 1 BNO4C16H16 ABC4D16E16 -185.04 3.21 -8.73 -0.2 0
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19441 563973 2 NOC17H17 ABC17D17 8.83 6.13 -8.57 -0.16 0
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19442 563998 1 O3N5C16H19 A3B5C16D19 -70.54 3.8 -8.82 -0.54 0
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19443 564080 1 N3O5C19H19 A3B5C19D19 -77.76 3.98 -9.69 -1.18 0
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19444 564100 1 NO3C27H37 AB3C27D37 -104.23 2.49 -8.72 0.26 0
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19445 564102 1 FO4H21C23 AB4C21D23 -91.37 1.74 -8.56 -0.26 0
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19446 564104 1 N3O3C22H27 A3B3C22D27 -83.67 5.82 -8.56 -0.66 0
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19447 564107 1 N3O5C20H21 A3B5C20D21 -86.52 4.82 -9.74 -1.41 0
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19448 564108 1 N3O6C22H25 A3B6C22D25 -218.91 4.14 -9.65 -0.18 0
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19449 564182 1 H4N4C5 A4B4C5 99.04 2.58 -9.82 -1.35 0
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19450 564189 1 O4N6H14C15 A4B6C14D15 94.83 4.01 -9.78 -2.03 0
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19451 564210 1 ON2H18C20 AB2C18D20 61.94 1.71 -8.36 -0.51 0
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19452 564213 1 SN2O4H12C14 AB2C4D12E14 -94.91 5.73 -8.89 -1.26 0
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19453 564215 1 NO2C9H11 AB2C9D11 -45.49 1.93 -8.11 -0.38 0
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19454 564238 2 C5H7 A5B7 42.21 1.71 -7.79 0.65 0
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19455 564243 1 OC9H10 AB9C10 -4.61 4.21 -9.94 -0.22 0
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19456 564258 3 C3H4 A3B4 30.44 0.75 -9.16 0.65 0
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19457 564260 1 OC10H16 AB10C16 -37.62 2.27 -9.84 0.85 0
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19458 564268 1 NO4H17C19 AB4C17D19 -87.66 5.28 -9.39 -0.63 0
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19459 564363 1 N2O2C17H22 A2B2C17D22 -60.76 4.66 -8.62 0.11 0
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19460 564401 1 O2S2N3C14H15 A2B2C3D14E15 -17.54 1.87 -9.05 -1.0 0
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19461 564405 2 NOC7H10 ABC7D10 -95.36 4.32 -8.69 0.13 0
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19462 564408 1 O3C10H16 A3B10C16 -131.48 3.44 -9.85 0.61 0
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19463 564420 1 NOC11H13 ABC11D13 -13.12 3.27 -8.83 0.09 0
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19464 564422 1 NOC11H13 ABC11D13 -13.72 3.41 -8.86 0.09 0
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19465 564428 1 OC16H19 AB16C19 17.99 1.49 0.0 0.0 -5
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19466 564434 1 PO2C6H15 AB2C6D15 -133.91 1.96 -8.85 1.58 0
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19467 564437 1 SN3O5H9C12 AB3C5D9E12 17.59 5.92 -8.81 -2.13 0
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19468 564468 1 NC21H23 AB21C23 75.06 3.61 -9.12 -0.3 0
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19469 564489 1 ClOSiC6H13 ABCD6E13 -100.24 4.61 -10.16 -0.01 0
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19470 564497 1 SO3C26H38 AB3C26D38 -116.29 4.78 -9.34 -0.42 0
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19471 564529 1 OC12H18 AB12C18 -56.59 3.54 -9.67 0.82 0
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19472 564531 2 C5H8 A5B8 7.48 0.51 -9.93 3.46 0
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19473 564708 1 SN3O5H15C19 AB3C5D15E19 -40.03 3.86 -8.85 -1.88 0
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19474 564777 1 NOC12H15 ABC12D15 -29.04 3.29 -9.73 -0.1 0
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19475 564822 1 O2N3H13C17 A2B3C13D17 10.63 5.05 -8.9 -0.9 0
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19476 564913 4 NOH5C9 ABC5D9 -15.76 1.53 -8.41 -2.72 0
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19477 564946 1 ON2C18H24 AB2C18D24 -19.54 3.08 -8.57 -0.13 0
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19478 564984 1 N4C7H8 A4B7C8 89.16 2.72 -10.49 0.22 0
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19479 565041 1 O2N3C10H11 A2B3C10D11 -45.29 3.19 -9.94 -0.26 0
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19480 565065 6 C2H3 A2B3 26.43 0.59 -9.03 1.42 0
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19481 565093 2 NOC6H8 ABC6D8 -50.34 5.13 -10.65 -0.22 0
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19482 565118 1 NS2O3C18H31 AB2C3D18E31 -188.93 2.47 -8.7 0.17 0