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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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24577 611209 1 NPSi2O4C10H26 ABC2D4E10F26 -446.46 5.64 -8.97 -0.08 0
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24578 611212 1 NPSi2O4C12H30 ABC2D4E12F30 -458.81 2.42 -8.87 -0.18 0
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24579 611213 1 NPSi2O4C10H26 ABC2D4E10F26 -444.41 4.62 -9.11 -0.51 0
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24580 611216 1 ON2C14H14 AB2C14D14 22.63 1.9 -7.5 -0.33 0
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24581 611218 1 OC16H18 AB16C18 -18.2 2.13 -8.65 -0.02 0
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24582 611223 2 NOC7H8 ABC7D8 -32.78 3.26 -9.39 -0.84 0
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24583 611229 2 O3H7C8 A3B7C8 -207.75 6.29 -9.76 -1.37 0
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24584 611230 2 O5C8H10 A5B8C10 -417.7 6.53 -10.44 -0.34 0
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24585 611232 1 ClSO2N4C7H7 ABC2D4E7F7 -3.64 10.44 -10.54 -1.68 0
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24586 611234 1 NOC17H17 ABC17D17 19.4 4.93 -8.73 -0.19 0
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24587 611235 1 SO2N3C11H15 AB2C3D11E15 -79.74 6.22 -9.24 -1.01 0
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24588 611238 1 NSO7C15H19 ABC7D15E19 -308.03 3.79 -9.39 -1.15 0
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24589 611240 2 OC9H11 AB9C11 -56.13 6.7 -8.12 -0.95 0
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24590 611242 1 NSO4C12H17 ABC4D12E17 -184.87 3.99 -8.97 -0.62 0
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24591 611243 1 NPSi2O5C10H26 ABC2D5E10F26 -445.4 6.01 -8.8 -0.48 0
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24592 611244 2 O4H5C6 A4B5C6 -260.84 3.45 -9.05 -2.06 0
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24593 611246 1 O3C24H40 A3B24C40 -180.73 2.12 -9.34 0.04 0
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24594 611247 1 SeO3C12H12 AB3C12D12 -97.94 1.42 -8.36 -0.86 0
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24595 611248 1 O3C18H20 A3B18C20 -116.07 8.57 -9.1 -1.03 0
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24596 611249 1 O3C18H22 A3B18C22 -124.91 4.89 -9.74 -0.5 0
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24597 611252 1 S2O5C12H14 A2B5C12D14 -146.53 0.83 -8.93 -1.66 0
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24598 611254 1 NO2C4H8 AB2C4D8 -54.31 4.15 0.0 0.0 -3
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24599 611255 1 PSH17C20 ABC17D20 52.46 1.6 -8.01 -0.01 0
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24600 611256 1 ON2C22H22 AB2C22D22 10.27 3.15 -8.26 -0.08 0
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24601 611258 1 NO2C23H29 AB2C23D29 -73.12 6.52 -8.29 -0.65 0
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24602 611261 1 NCl3O4H18C19 AB3C4D18E19 -147.41 2.6 -9.22 -0.66 0
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24603 611281 1 ON3C17H23 AB3C17D23 -8.44 4.18 -8.34 -0.09 0
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24604 611295 1 NO3H13C15 AB3C13D15 -80.22 5.68 -9.27 -0.61 0
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24605 611296 1 SBr2O2C10H10 AB2C2D10E10 -30.81 6.77 -10.31 -0.69 0
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24606 611297 1 SH12C14 AB12C14 65.72 1.77 -8.47 -0.3 0
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24607 611300 2 NSH10C13 ABC10D13 155.71 0.54 -8.15 -1.31 0
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24608 611302 1 ON2H12C13 AB2C12D13 43.3 3.52 -8.77 -0.78 0
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24609 611305 1 Cl2N2O4C19H20 A2B2C4D19E20 -64.7 7.34 -9.74 -1.51 0
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24610 611308 1 NO3C15H17 AB3C15D17 -39.87 3.92 -9.73 -0.47 0
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24611 611334 1 ON2C17H18 AB2C17D18 33.92 3.9 -8.3 -0.14 0
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24612 611384 2 NO2H6C8 AB2C6D8 -82.08 3.71 -9.09 -1.63 0
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24613 611394 1 ClNOS3H14C20 ABCD3E14F20 90.16 5.22 -8.73 -1.4 0
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24614 611395 2 NOH4C6 ABC4D6 36.64 5.18 -9.09 -1.94 0
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24615 611396 1 ON2H12C13 AB2C12D13 42.34 3.18 -8.63 -0.86 0
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24616 611401 4 C4H5 A4B5 98.71 1.48 -8.69 0.38 0
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24617 611404 1 ON2H12C13 AB2C12D13 34.91 8.14 -7.46 -0.99 0
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24618 611407 1 NC17H23 AB17C23 23.03 1.4 -8.42 0.49 0
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24619 611408 2 OC9H12 AB9C12 -86.25 1.84 -9.34 0.32 0
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24620 611425 1 ON3H11C12 AB3C11D12 23.29 3.1 -8.35 -0.65 0
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24621 611426 1 ON3H11C12 AB3C11D12 28.3 4.25 -8.99 -0.88 0
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24622 611428 1 O3H8C13 A3B8C13 -59.72 2.66 -9.12 -1.11 0
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24623 611429 1 O4H14C15 A4B14C15 -129.49 1.48 -10.36 -1.75 0
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24624 611431 1 ON4H8C11 AB4C8D11 53.6 3.17 -8.77 -1.29 0
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24625 611470 1 PO2H13C14 AB2C13D14 -81.86 3.9 -9.59 -0.25 0
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24626 611474 1 ClNSO3C9H10 ABCD3E9F10 -110.71 1.42 -9.62 -1.27 0
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24627 611476 1 O3H14C16 A3B14C16 -71.85 2.41 -8.54 -0.45 0
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24628 611501 1 ClS2N3O3H8C14 AB2C3D3E8F14 -9.46 4.35 -9.19 -1.36 0
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24629 611533 1 FNOH8C13 ABCD8E13 23.96 2.39 -9.05 -1.33 0
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24630 611534 1 N3O5C7H7 A3B5C7D7 -8.58 7.49 -10.54 -2.37 0
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24631 611535 2 OC10H12 AB10C12 -87.91 2.35 -8.44 -0.45 0
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24632 611544 1 SH2O2F3N3C4 AB2C2D3E3F4 -206.96 3.0 -10.19 -1.92 0
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24633 611549 1 SN3H7C11 AB3C7D11 98.47 3.46 -9.64 -1.59 0
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24634 611550 1 O3H10C13 A3B10C13 -78.0 4.57 -9.32 -0.82 0
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24635 611551 1 O2N4H20C21 A2B4C20D21 -3.56 9.45 -9.16 -1.75 0
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24636 611568 1 NO4C21H25 AB4C21D25 -125.29 1.91 -8.81 0.03 0
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24637 611572 1 NO4H17C21 AB4C17D21 -89.09 7.46 -9.15 -1.88 0
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24638 611573 1 NO3C15H17 AB3C15D17 -24.34 4.85 -9.88 -1.17 0
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24639 611579 1 NO2H11C13 AB2C11D13 -2.35 1.51 -9.38 -1.13 0
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24640 611583 1 S2O4N5H7C10 A2B4C5D7E10 16.94 6.22 -9.5 -1.8 0
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24641 611611 1 OSi2C12H26 AB2C12D26 -171.95 0.08 -9.15 1.25 0
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24642 611612 4 OC6H6 AB6C6 -123.18 3.15 -9.16 -1.49 0
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24643 611640 1 NO3C19H25 AB3C19D25 -98.34 1.08 -8.79 0.24 0
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24644 611699 3 OC6H8 AB6C8 -142.63 1.74 -8.73 0.2 0
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24645 611720 2 NO2C11H22 AB2C11D22 -234.04 8.36 -9.26 0.78 0
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24646 611721 1 O4H16C17 A4B16C17 -117.49 6.48 -9.47 -0.99 0
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24647 611722 1 SSiN2O2C27H38 ABC2D2E27F38 -114.93 2.04 -7.73 -0.5 0
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24648 611780 1 ClO3C10H11 AB3C10D11 -126.59 3.01 -9.3 -0.27 0
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24649 611782 1 FeC12H14 AB12C14 124.11 1.77 -7.93 0.62 -10
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24650 611783 1 ClN2H7C12 AB2C7D12 76.49 3.02 -9.61 -1.38 0
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24651 611789 1 NiN2C14H16 AB2C14D16 152.29 2.03 -7.44 -0.71 0
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24652 611803 1 O3C16H18 A3B16C18 -108.12 6.56 -9.48 -1.06 0
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24653 611814 1 NO2C14H29 AB2C14D29 -145.21 1.3 -9.28 0.78 0
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24654 611839 1 O6C13H18 A6B13C18 -210.82 0.57 -8.45 -0.09 0
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24655 611888 1 NO2C14H15 AB2C14D15 -65.75 6.07 -8.52 -0.28 0
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24656 611896 1 ClNO3H8C12 ABC3D8E12 -76.55 2.76 -9.28 -1.28 0
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24657 611897 1 CrO2Si2Cl6C14H20 AB2C2D6E14F20 -175.03 3.29 -7.09 -1.09 0
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24658 611951 1 SiO2C14H30 AB2C14D30 -190.02 3.05 -8.97 0.69 0
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24659 611995 1 NO2C13H13 AB2C13D13 -58.17 2.11 -8.62 -0.51 0
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24660 611996 1 F3H4N5C7 A3B4C5D7 -62.23 2.19 -9.77 -1.91 0
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24661 611997 1 SN2C17H24 AB2C17D24 21.89 1.63 -8.71 -0.43 0
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24662 611999 1 O2Si2C23H44 A2B2C23D44 -248.82 3.87 -9.85 1.17 0
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24663 612021 1 NO3C16H17 AB3C16D17 -112.18 1.72 -9.08 -0.73 0
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24664 612036 1 BrSN2C9H11 ABC2D9E11 47.42 5.41 -8.77 -0.46 0
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24665 612062 1 OPC19H25 ABC19D25 -53.21 4.66 -9.81 -0.12 0
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24666 612102 1 ClPO2H8C12 ABC2D8E12 -80.17 2.31 -9.14 -0.65 0
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24667 612103 1 N3O4C27H37 A3B4C27D37 -163.18 1.97 -9.0 -0.77 0
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24668 612105 1 NSO2H11C14 ABC2D11E14 -31.35 3.78 -7.98 -0.46 0
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24669 612106 1 OSiC16H22 ABC16D22 -65.32 0.71 -8.62 -0.42 0
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24670 612109 4 OH4C5 AB4C5 -108.55 4.92 -9.57 -1.08 0
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24671 612110 1 NO5C16H17 AB5C16D17 -174.45 7.85 -9.59 -1.22 0
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24672 612111 1 OSiC20H44 ABC20D44 -185.99 1.77 -9.12 1.35 0
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24673 612112 1 OSiC20H44 ABC20D44 -182.9 1.76 -9.09 1.35 0
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24674 612114 1 FN5H14C15 AB5C14D15 79.46 9.82 -8.91 -0.96 0
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24675 612115 1 ON2C19H20 AB2C19D20 5.3 9.45 -8.79 -0.51 0
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24676 612118 1 O3C23H34 A3B23C34 -143.45 6.15 -9.71 -0.14 0