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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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315591 126628037 1 N2H56C83 A2B56C83 351.95 1.57 -7.91 -0.56 0
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315593 126628054 1 BrNSH24C40 ABCD24E40 176.09 1.92 -8.19 -1.12 0
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315594 126628057 1 BrNH22C34 ABC22D34 146.79 3.44 -8.24 -0.77 0
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315595 126628058 1 BrNH22C34 ABC22D34 148.89 1.83 -8.25 -0.7 0
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315597 126628065 1 BrNH28C42 ABC28D42 180.25 3.18 -8.2 -0.44 0
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315600 126628079 1 N9O15C38H47 A9B15C38D47 -421.79 6.27 -10.27 -1.27 0
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315601 126628080 2 NH21C31 AB21C31 272.59 2.72 -7.96 -0.62 0
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315602 126628082 1 ON5C12H13 AB5C12D13 25.02 5.22 -9.02 -1.03 0
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315603 126628090 1 SN2O3H6C10 AB2C3D6E10 -53.65 8.61 -9.4 -1.31 0
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315605 126628096 1 N3C14H21 A3B14C21 27.77 1.82 -7.82 -0.09 0
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315606 126628097 1 ON7C9H11 AB7C9D11 46.42 6.35 -8.53 -0.44 0
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315608 126628099 2 ClNOC4H4 ABCD4E4 -11.86 4.24 -10.18 -1.32 0
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315609 126628103 2 NOC4H5 ABC4D5 -45.57 3.43 -10.11 -1.08 0
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315610 126628109 2 O2C8H11 A2B8C11 -143.59 3.95 -9.57 0.02 0
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315611 126628110 1 O3C10H14 A3B10C14 -117.4 1.44 -9.91 0.11 0
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315612 126628169 1 N3H19C33 A3B19C33 195.6 9.07 -8.88 -1.09 0
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315614 126628185 1 N4H44C63 A4B44C63 292.3 4.7 -8.31 -0.74 0
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315615 126628205 1 FPN3O7C29H35 ABC3D7E29F35 -348.3 4.56 -8.46 -0.47 0
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315616 126628216 1 O4C21H24 A4B21C24 -121.23 1.67 -8.43 0.31 0
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315617 126628219 1 N2O7C28H32 A2B7C28D32 -214.69 4.88 -8.53 -0.71 0
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315619 126628224 1 BrFN3O3C16H21 ABC3D3E16F21 -189.3 1.55 -9.22 -0.5 0
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315622 126628245 1 N3C9H22 A3B9C22 31.05 2.77 0.0 0.0 0
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315623 126628252 1 N3O6C16H23 A3B6C16D23 -261.19 6.09 -9.37 -0.26 0
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315624 126628255 1 BrN2O4C12H17 AB2C4D12E17 -170.86 6.78 -9.49 -0.6 0
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315625 126628258 1 ClN2O6C10H13 AB2C6D10E13 -263.41 5.01 -10.13 -1.02 0
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315626 126628260 1 BrN2O5C14H19 AB2C5D14E19 -230.64 4.67 -9.72 -0.89 0
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315627 126628261 1 N3O6C17H25 A3B6C17D25 -263.92 3.85 -9.24 -0.39 0
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315628 126628262 1 N3O8C19H29 A3B8C19D29 -367.55 5.52 -9.44 -0.76 1
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315630 126628266 1 O6C21H22 A6B21C22 -219.04 6.5 -10.18 -0.85 0
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315631 126628270 1 P3N5C11O13H18 A3B5C11D13E18 -703.6 2.4 -9.2 -0.64 0
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315632 126628276 1 N3O6C17H19 A3B6C17D19 -212.1 4.7 -9.71 -0.99 0
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315635 126628290 1 F3O3C17H21 A3B3C17D21 -294.17 4.76 -9.18 -0.46 1
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315636 126628291 1 N5C16H26 A5B16C26 97.63 0.86 0.0 0.0 0
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315637 126628292 2 BrSH2O2C6 ABC2D2E6 -63.4 0.02 -8.55 -1.53 0
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315638 126628293 1 NOC12H13 ABC12D13 42.53 5.1 -8.14 -0.28 0
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315639 126628294 3 NOH7C8 ABC7D8 -6.24 8.76 -8.17 -1.43 0
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315640 126628295 1 ON4C26H30 AB4C26D30 79.1 3.08 -8.77 -0.3 0
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315642 126628306 2 O3C7H10 A3B7C10 -292.26 0.35 -10.61 0.28 0
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315644 126628312 2 O4C27H34 A4B27C34 -350.03 4.72 -8.42 0.15 0
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315645 126628313 4 O2C13H16 A2B13C16 -341.69 1.71 -8.53 0.02 0
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315647 126628316 1 NSO2C10H15 ABC2D10E15 -73.73 4.36 -9.46 -0.42 0
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315649 126628324 1 S2N3O3C17H19 A2B3C3D17E19 -58.9 6.27 -8.6 -1.04 0
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315650 126628335 1 ClNOH16C19 ABCD16E19 34.15 4.43 -8.1 -0.17 0
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315651 126628353 1 ClSO7N11C49H56 ABC7D11E49F56 -117.04 13.03 -8.62 -1.5 0
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315652 126628354 1 ClSO6N8C27H29 ABC6D8E27F29 -127.75 4.29 -8.83 -1.34 0
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315654 126628356 1 FCl2O4N5C25H26 AB2C4D5E25F26 -150.71 5.91 -8.27 -1.09 0
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315657 126628365 1 FO8N9C50H62 AB8C9D50E62 -341.26 3.39 -8.76 -1.41 0
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315659 126628371 1 N3O5H17C18 A3B5C17D18 -149.31 4.97 -9.44 -0.93 0
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315662 126628388 1 O3N4C30H40 A3B4C30D40 -94.86 8.82 -7.83 -0.68 0
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315663 126628389 1 N4O11C47H50 A4B11C47D50 -327.61 5.57 -8.39 -0.38 0