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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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5080 12559 1 NO15C55H103 AB15C55D103 -767.4 2.65 -7.77 -0.06 0
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5081 12560 1 NO13C37H67 AB13C37D67 -669.76 3.84 -9.0 0.32 0
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5082 12561 1 NC9H13 AB9C13 4.51 1.86 -8.3 0.51 0
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5083 12562 2 NH3O3C4 AB3C3D4 -49.82 5.77 -10.65 -1.64 0
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5084 12563 1 H12C13 A12B13 37.93 0.61 -9.21 0.24 0
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5085 12564 1 H12C13 A12B13 36.97 0.7 -9.03 -0.01 0
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5086 12565 1 O3C13H16 A3B13C16 -94.78 2.3 -7.97 -0.16 0
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5087 12568 1 O4H8C9 A4B8C9 -74.94 1.78 -10.24 -0.98 0
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5088 12569 2 OSH5C7 ABC5D7 -18.95 0.17 -9.38 -1.49 0
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5089 12571 1 O2C7H14 A2B7C14 -119.62 1.64 -10.66 0.9 0
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5090 12572 1 O3N4C10H16 A3B4C10D16 -80.51 4.43 -9.29 -0.05 0
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5091 12573 1 PCl2H5C6 AB2C5D6 -30.17 2.84 -9.98 -0.58 0
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5092 12576 1 N2O3H6C7 A2B3C6D7 -22.61 3.21 -10.9 -1.69 0
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5093 12577 1 NH3C5O5 AB3C5D5 -79.27 2.37 -11.32 -2.28 0
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5094 12578 1 OC11H14 AB11C14 -37.56 3.88 -9.67 -0.37 0
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5095 12581 1 NC9H9 AB9C9 42.4 3.66 -9.72 0.06 0
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5096 12582 1 OC8H14 AB8C14 -44.03 3.79 -9.94 -0.21 0
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5097 12584 1 O2C3H4N4 A2B3C4D4 -66.63 5.85 -10.85 -0.75 0
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5098 12585 5 CH2 AB2 -7.9 0.12 -9.51 1.47 0
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5099 12586 1 O2C3H6 A2B3C6 -82.75 1.58 -9.91 1.43 0
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5100 12587 2 OC3H6 AB3C6 -114.63 4.8 -11.03 0.65 0
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5101 12588 2 OC11H22 AB11C22 -190.13 1.73 -10.63 0.91 0
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5102 12591 1 O2C19H38 A2B19C38 -183.07 2.23 -10.79 0.56 0
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5103 12592 2 C12H25 A12B25 -118.09 0.09 -10.42 4.02 0
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5104 12594 1 SO5C19H28 AB5C19D28 -233.15 1.51 -9.5 -0.88 0
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5105 12595 2 OC9H11 AB9C11 -88.43 2.39 -8.73 0.24 0
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5106 12599 1 PN5O6C10H14 AB5C6D10E14 -264.47 3.87 -9.18 -0.61 0
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5107 12600 7 COH2 ABC2 -312.5 0.98 -10.4 -0.4 0
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5108 12603 1 ClNO5C20H28 ABC5D20E28 -242.81 3.88 -9.2 -0.93 0
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5109 12607 1 ClN2F3H4C8 AB2C3D4E8 -115.05 2.99 -9.71 -1.23 0
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5110 12611 1 FN5C7H12 AB5C7D12 -11.66 5.16 -9.45 0.0 0
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5111 12612 1 FON2C7H7 ABC2D7E7 -68.4 4.76 -9.0 -0.2 0
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5112 12613 2 OC5H10 AB5C10 -136.79 1.5 -10.72 0.94 0
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5113 12614 4 C2H3 A2B3 29.54 0.34 -9.47 1.37 0
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5114 12615 1 FSO2C4H9 ABC2D4E9 -151.74 5.3 -11.84 0.04 0
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5115 12619 1 FC7H15 AB7C15 -86.61 1.97 -11.21 3.12 0
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5116 12621 1 BNC4F4H12 ABC4D4E12 -364.56 17.49 -11.65 -0.84 0
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5118 12623 1 SnC3H10 AB3C10 8.76 0.69 -10.22 1.51 0
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5119 12624 1 OF2C3Cl3H3 AB2C3D3E3 -177.13 2.05 -11.34 -0.8 0
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5120 12626 1 NOH2C4F7 ABC2D4E7 -393.3 4.29 -11.53 -0.43 0
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5121 12628 1 SN2O3C14H20 AB2C3D14E20 -134.87 6.24 -9.86 -0.71 0
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5122 12629 1 O7C22H40 A7B22C40 -397.26 2.17 -10.74 -0.18 0
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5123 12630 1 ClN2O2C19H25 AB2C2D19E25 -87.33 5.48 -8.98 -0.19 0
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5124 12631 1 N2O2C19H24 A2B2C19D24 -43.39 1.65 -8.76 -0.05 0
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5125 12632 1 O2H8C9 A2B8C9 -50.93 2.87 -9.22 -0.8 0
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5126 12633 1 BrNOC13H22 ABCD13E22 -39.84 11.29 -8.04 -0.25 0
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5127 12634 1 NOC13H22 ABC13D22 -7.97 2.7 0.0 0.0 1
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5128 12635 2 N2C3 A2B3 160.74 0.01 -12.19 -3.05 0
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5129 12636 1 ClNO2C10H12 ABC2D10E12 -84.96 1.16 -8.97 -0.03 0
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5130 12637 1 NC7H15 AB7C15 -21.49 1.48 -8.47 2.99 0
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5131 12638 1 NO2C4H7 AB2C4D7 -54.64 3.09 -10.53 0.43 0
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5132 12639 1 NO2C5H9 AB2C5D9 -63.18 2.82 -10.4 0.52 0
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5133 12642 1 ClOC4H7 ABC4D7 -47.95 1.51 -10.56 0.56 0
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5134 12643 1 NO2C13H19 AB2C13D19 -87.79 2.73 -9.1 0.28 0
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5135 12645 1 ON2C15H24 AB2C15D24 -53.34 4.26 -8.43 0.35 0
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5136 12650 1 NO3C10H13 AB3C10D13 -120.86 5.69 -9.3 -0.31 0
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5137 12651 1 O3C7H8 A3B7C8 -112.3 4.33 -9.67 -0.4 0
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5138 12652 1 ClN5C11H12 AB5C11D12 51.16 2.98 -8.84 -0.57 0
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5139 12653 1 ClNO2C10H12 ABC2D10E12 -90.0 3.32 -8.97 0.01 0
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5140 12654 1 ON5C8H15 AB5C8D15 -9.95 3.75 -9.3 0.23 0
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5141 12655 1 NO2C12H17 AB2C12D17 -83.33 1.9 -9.07 0.29 0
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5142 12658 2 C5H8 A5B8 5.09 1.49 -8.19 0.27 0
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5143 12659 6 CH2 AB2 -13.9 0.15 -9.54 1.45 0
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5144 12660 1 COH4N4 ABC4D4 35.04 5.84 -8.7 -0.62 0
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5145 12661 2 OC2H2 AB2C2 -44.63 3.74 -10.45 0.0 0
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5146 12663 3 OC2H2 AB2C2 -99.68 4.33 -10.13 -0.28 0
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5147 12664 3 CFN ABC -62.67 0.0 -12.15 -2.02 0
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5148 12665 1 NOC5H9 ABC5D9 -58.0 4.82 -9.7 1.34 0
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5149 12667 1 FNOC6H12 ABCD6E12 -118.83 3.41 -10.5 1.1 0
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5150 12668 6 C2H3 A2B3 13.72 0.06 -9.25 1.43 0
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5151 12669 1 CH4 AB4 -12.29 0.0 -13.67 6.02 0
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5152 12670 1 CClMgH3 ABCD3 -46.29 3.21 -10.26 0.12 0
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5153 12673 1 NOPC2Cl2H6 ABCD2E2F6 -122.35 4.75 -10.2 -0.47 0
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5154 12675 1 C5F12 A5B12 -604.73 0.35 -13.9 -0.63 0
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5155 12676 1 BrOC3F3H4 ABC3D3E4 -198.05 2.24 -11.24 -1.21 0
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5156 12677 1 O5F6C10H12 A5B6C10D12 -540.47 3.55 -11.39 -0.23 0
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5157 12680 1 OC4Cl6 AB4C6 -54.48 1.43 -10.23 -1.58 0
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5158 12682 1 SiC4O4H12 AB4C4D12 -264.15 0.73 -10.08 0.46 0
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5159 12684 2 PO3C4H10 AB3C4D10 -396.16 2.45 -9.71 0.51 0
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5160 12685 1 PO3C5H13 AB3C5D13 -208.32 4.52 -10.71 1.24 0
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5161 12686 1 ClNNaO2C16H33 ABCD2E16F33 -180.34 18.29 -9.2 0.2 0
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5162 12689 1 AsBr2C2H5 AB2C2D5 -23.89 3.05 -9.59 -1.25 0
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5164 12692 1 BrC2Cl2H3 AB2C2D3 -22.79 1.28 -11.06 -1.02 0
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5165 12693 1 ClOC4H5 ABC4D5 -34.93 4.3 -10.33 -0.68 0
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5166 12694 1 NOC2Cl2H3 ABC2D2E3 -59.98 2.53 -10.87 -0.63 0
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5167 12696 1 OPC8H19 ABC8D19 -104.33 5.36 -9.25 2.29 0
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5168 12698 1 O2C5H12 A2B5C12 -118.95 3.48 -10.16 2.32 0
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5169 12699 1 C2O2N3H5 A2B2C3D5 -34.41 1.47 -10.14 -0.7 0
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5170 12702 1 FO4C7H11 AB4C7D11 -229.52 2.39 -11.15 0.01 0
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5171 12703 1 NOC6H13 ABC6D13 -67.91 4.25 -9.39 1.22 0
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5172 12704 1 NS2C6H13 AB2C6D13 -0.19 4.23 -8.38 -0.09 0
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5173 12705 1 AsClC4H10 ABC4D10 -29.35 3.38 -9.26 0.03 0
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5174 12706 1 CN2O3H4 AB2C3D4 -63.71 2.48 -10.11 -0.36 0
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5175 12707 1 NF3O3C6H6 AB3C3D6E6 -257.63 3.53 -10.67 -0.5 0
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5176 12708 1 ClO2C5H7 AB2C5D7 -84.98 0.44 -10.42 -0.63 0
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5177 12716 2 OC3H5 AB3C5 -86.84 1.73 -10.83 -0.22 0
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5178 12717 1 NC3O4H5 AB3C4D5 -132.31 5.08 -10.72 -1.01 0
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5179 12718 1 NSO2C4H5 ABC2D4E5 -49.1 3.54 -9.79 -0.95 0
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5180 12720 4 CH AB 69.11 0.54 -10.03 0.24 0
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5181 12721 7 CH2 AB2 -19.72 0.16 -9.5 1.5 0