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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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386601 134982280 1 O2C13H18 A2B13C18 -57.21 2.28 -8.35 0.35 0
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386602 134982282 1 SiO9C38H70 AB9C38D70 -524.44 2.27 -8.68 0.08 0
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386603 134982287 1 O4H20C21 A4B20C21 -97.82 4.36 -9.41 -0.44 0
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386604 134982290 1 PO3C22H23 AB3C22D23 -96.85 4.4 -9.76 -0.19 0
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386605 134982292 1 SiS2O3C31H56 AB2C3D31E56 -224.98 2.06 -8.51 0.29 0
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386607 134982302 1 NO2C13H19 AB2C13D19 -58.13 3.12 -10.2 0.64 0
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386608 134982309 1 SiO2C23H24 AB2C23D24 3.54 2.53 -8.69 -0.51 0
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386609 134982311 2 OC8H13 AB8C13 -93.09 5.11 -9.53 0.72 0
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386610 134982314 1 NS2O5C21H23 AB2C5D21E23 -132.2 4.27 -9.74 -0.58 0
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386611 134982322 1 SO2C20H24 AB2C20D24 -53.14 2.29 -7.99 0.29 0
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386612 134982325 1 FeOH16C19 ABC16D19 229.18 3.99 -7.4 -1.94 0
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386613 134982326 1 NO7C26H31 AB7C26D31 -263.69 2.29 -8.48 -0.05 0
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386614 134982339 3 O2C15H22 A2B15C22 -267.91 3.41 -7.66 -0.42 0
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386615 134982340 1 NH9C14 AB9C14 79.19 4.08 -8.74 -0.95 0
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386616 134982344 1 BrOH13C15 ABC13D15 55.79 3.6 -8.34 -0.27 0
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386617 134982357 1 NSO4C26H31 ABC4D26E31 -109.63 5.45 -8.82 -0.37 0
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386618 134982367 1 OSiC33H58 ABC33D58 -163.85 1.31 -8.29 0.76 0
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386619 134982368 1 PSO4C15H21 ABC4D15E21 -169.27 5.22 -8.48 -0.66 0
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386620 134982375 1 C25H26 A25B26 65.49 0.51 -8.07 0.68 0
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386621 134982378 3 C13H20 A13B20 123.21 1.37 -8.37 0.14 0
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386622 134982392 6 SO4C14H20 AB4C14D20 -706.6 12.58 -5.84 -1.54 0
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386623 134982395 6 NaSO4C14H19 ABC4D14E19 -1145.39 15.23 -4.7 -0.32 0
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386624 134982396 6 SO4C14H20 AB4C14D20 -855.52 13.73 -6.38 -2.66 0
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386625 134982398 2 S3H12C22 A3B12C22 201.47 3.1 -8.24 -1.14 0
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386626 134982399 1 H28C29 A28B29 62.47 0.32 -8.06 -0.1 0
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386627 134982400 2 O2C11H18 A2B11C18 -216.91 3.88 -8.65 1.74 0
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386628 134982401 1 FeOH24C26 ABC24D26 87.26 2.33 -7.62 -0.78 0
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386629 134982402 1 OH19C21 AB19C21 60.63 1.63 0.0 0.0 0
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386630 134982404 2 O2C11H17 A2B11C17 -178.1 2.21 -9.79 -0.64 0
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386631 134982405 1 OSH10C11 ABC10D11 -5.65 4.48 -9.44 -0.93 0
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386632 134982407 1 NO7C27H39 AB7C27D39 -288.11 4.1 -8.12 -0.08 0
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386633 134982409 1 SO3H24C28 AB3C24D28 -14.13 4.12 -8.53 -0.54 0
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386634 134982410 1 ON2H22C24 AB2C22D24 53.96 4.0 -9.47 -0.78 0
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386635 134982411 1 NOC25H27 ABC25D27 33.06 1.1 -9.05 -0.01 0
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386637 134982415 1 FeNO4C21H21 ABC4D21E21 -56.93 5.95 -7.35 -0.13 0
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386638 134982416 1 FeO5C13H14 AB5C13D14 16.34 1.45 -8.39 -0.08 -1
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386639 134982418 1 FePO5H29C33 ABC5D29E33 18.04 2.96 -7.69 -0.03 0
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386640 134982419 1 C13H15 A13B15 43.91 0.66 0.0 0.0 0
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386641 134982420 1 BrC11H17 AB11C17 -8.1 1.53 -9.75 0.03 0
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386642 134982421 1 O5C34H36 A5B34C36 -90.81 5.54 -8.58 0.08 0
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386643 134982422 1 OC15H18 AB15C18 -0.92 4.7 -9.38 -0.63 0
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386644 134982425 1 NOC26H29 ABC26D29 29.72 1.41 -9.0 0.09 0
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386646 134982430 2 H10C11 A10B11 71.54 1.2 -8.57 -0.27 0
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386647 134982431 1 OC13H22 AB13C22 -22.8 2.19 -9.64 1.12 0
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386648 134982432 1 NC18H25 AB18C25 45.39 1.2 -8.48 0.33 0
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386649 134982433 1 SC12H12 AB12C12 76.92 1.86 -8.64 -0.28 0
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386651 134982437 1 NC11H19 AB11C19 8.81 1.37 -8.55 1.39 0
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386652 134982440 8 OC2H2 AB2C2 -272.49 0.71 -10.33 -1.39 0
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386653 134982441 8 OC2H2 AB2C2 -273.03 0.92 -10.22 -1.53 0
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386654 134982442 2 OH13C14 AB13C14 63.44 6.09 -8.81 -0.88 0