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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410540 135083339 1 AlO2H31C37 AB2C31D37 -50.06 0.7 -8.36 -0.53 0
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410541 135083340 1 AlO2H31C45 AB2C31D45 32.15 1.1 -8.43 -0.7 0
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410543 135083342 1 O3C11H18 A3B11C18 -162.97 0.95 -9.9 2.1 0
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410544 135083343 1 SiN2O2C12H16 AB2C2D12E16 -20.47 7.7 -8.38 -1.15 1
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410545 135083344 1 SiN2O2C12H17 AB2C2D12E17 -29.85 5.35 0.0 0.0 0
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410546 135083345 1 O3C8H12 A3B8C12 -139.02 6.21 -10.68 0.7 0
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410547 135083346 1 NO2F3C7H10 AB2C3D7E10 -214.6 3.18 -9.78 -0.22 0
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410548 135083347 1 N2O2H14C17 A2B2C14D17 59.62 3.25 -8.25 -1.84 0
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410550 135083349 1 ON4C8H14 AB4C8D14 35.88 7.14 -9.13 -0.47 0
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410553 135083352 1 N11O11C19H36 A11B11C19D36 32.08 8.81 0.0 0.0 0
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410560 135083360 1 PtP2C17H38 AB2C17D38 -10.54 4.63 -8.59 -1.55 0
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410563 135083363 1 NPtO3C39H41 ABC3D39E41 55.44 4.37 -9.2 -1.0 0
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410566 135083366 1 AsPtCl2H17C20 ABC2D17E20 202.99 4.03 -8.86 -2.76 0
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410567 135083367 1 AsH17C20 AB17C20 114.61 0.57 -8.69 0.18 0
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410568 135083368 1 PtSCl2C5H10 ABC2D5E10 33.75 2.7 -9.75 -2.41 0
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410569 135083369 1 BC9H17 AB9C17 -30.81 0.87 -9.29 0.55 0
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410570 135083370 1 BC11H13 AB11C13 19.71 0.69 -9.38 -0.37 0
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410571 135083371 1 BNC7H14 ABC7D14 -32.6 2.77 -8.96 1.76 0
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410572 135083372 1 BC13H21 AB13C21 -13.31 0.76 -8.46 0.6 0
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410573 135083373 1 BC15H17 AB15C17 36.99 0.55 -8.55 -0.34 0
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410574 135083374 1 NO2C26H27 AB2C26D27 6.89 3.06 -9.3 0.05 1
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410575 135083375 1 KNC16H16 ABC16D16 38.51 8.47 -6.07 -0.01 0
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410576 135083376 1 NC16H16 AB16C16 79.83 1.65 0.0 0.0 1
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410577 135083377 1 NK2O2C12H21 AB2C2D12E21 -145.05 7.67 -5.3 0.68 0
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410578 135083378 1 NO2C12H22 AB2C12D22 -105.17 1.91 0.0 0.0 0
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410579 135083379 2 OC6H10 AB6C10 -105.43 3.63 -9.55 0.36 1
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410580 135083380 1 NS2H16C17 AB2C16D17 70.8 4.78 0.0 0.0 0
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410581 135083381 1 SN2H18C22 AB2C18D22 117.75 5.54 -7.81 -0.77 1
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410582 135083382 1 SN2H19C22 AB2C19D22 105.92 3.64 0.0 0.0 0
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410583 135083383 1 SN2Cl3O3H13C16 AB2C3D3E13F16 -91.07 2.39 -9.87 -1.63 0
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410584 135083384 1 SN2O7H10C14 AB2C7D10E14 -128.32 5.13 -10.64 -2.53 0
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410585 135083385 1 SN3C6H7 AB3C6D7 68.21 3.37 -9.17 -0.75 0
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410586 135083386 1 ClLiNSH7C9 ABCDE7F9 23.71 7.31 -7.76 -0.21 0
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410587 135083387 1 ClNSH8C9 ABCD8E9 28.06 3.17 -8.02 -0.2 0
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410588 135083388 1 F3N3O5C7H10 A3B3C5D7E10 -237.12 4.24 -10.04 -1.41 0
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410589 135083389 1 NP2O4C34H61 AB2C4D34E61 -356.2 4.74 -9.36 1.01 0
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410590 135083390 1 OPC10H17 ABC10D17 -101.94 5.22 -9.09 1.24 0
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410591 135083391 2 OPC20H34 ABC20D34 -243.13 7.03 -8.92 2.18 0
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410592 135083392 1 P2O3C32H56 A2B3C32D56 -281.02 4.75 -9.32 2.28 0
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410593 135083393 1 O2P2C31H54 A2B2C31D54 -232.1 5.43 -9.12 2.16 0
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410594 135083394 2 OPC12H21 ABC12D21 -228.45 3.19 -9.35 2.52 0
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410595 135083395 1 RuCl2N2P2H56C62 AB2C2D2E56F62 279.91 12.68 -7.74 -0.43 0
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410597 135083397 1 FeO3C16H20 AB3C16D20 -70.6 4.37 -8.72 -0.16 0
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410598 135083398 1 FeNOC17H21 ABCD17E21 175.06 4.32 -7.98 -0.24 0
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410599 135083399 1 FeNOC22H27 ABCD22E27 217.56 3.27 -6.31 -3.34 0
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410600 135083400 1 FeNOC17H23 ABCD17E23 49.9 11.83 -6.67 0.17 0
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410601 135083401 1 NOC12H18 ABC12D18 5.1 0.93 0.0 0.0 0
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410602 135083402 1 NO5C25H27 AB5C25D27 -142.53 3.19 -8.19 -0.35 0
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410603 135083403 2 N4O4H5C8 A4B4C5D8 124.5 5.94 -10.73 -2.33 0
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410604 135083404 2 ClN3O4H5C7 AB3C4D5E7 43.53 7.77 -10.43 -2.26 0