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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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11164 111543 1 NSO4C13H20 ABC4D13E20 -86.48 7.69 0.0 0.0 -1
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11165 111544 1 SC4O4N5H9 AB4C4D5E9 -144.47 4.71 -10.09 -1.09 0
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11166 111545 1 NaO2H3N4C5 AB2C3D4E5 -84.44 7.6 -8.5 0.16 0
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11167 111547 1 OC13H16 AB13C16 -34.54 4.7 -9.43 -0.48 0
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11168 111550 1 TiO8C38H70 AB8C38D70 -449.7 12.83 -7.34 -1.02 0
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11169 111551 3 OC6H10 AB6C10 -126.43 6.92 -9.79 0.63 0
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11170 111552 1 ON2H16C18 AB2C16D18 48.42 0.62 -8.52 -1.18 0
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11171 111553 1 ClON2C16H25 ABC2D16E25 -20.3 10.16 -8.5 -0.73 0
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11172 111563 1 ClNO3C9H10 ABC3D9E10 -117.67 3.15 -9.45 -0.83 0
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11173 111566 1 N4S4C27H28 A4B4C27D28 104.8 3.34 -8.34 -0.22 0
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11174 111567 1 N4C7H18 A4B7C18 8.04 0.94 -8.88 2.29 0
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11176 111573 1 S3O4N5H39C40 A3B4C5D39E40 9.99 10.13 -8.13 -1.44 0
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11177 111574 1 S3O4N5C40H40 A3B4C5D40E40 52.58 7.85 0.0 0.0 1
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11178 111575 1 O2N3S3C20H29 A2B3C3D20E29 -51.16 8.15 -8.23 -0.77 0
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11179 111576 1 N2O2S3C14H14 A2B2C3D14E14 -26.12 8.65 -8.37 -0.86 0
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11180 111585 3 OC6H10 AB6C10 -127.78 4.99 -9.76 0.55 0
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11181 111592 1 ClNH16C17 ABC16D17 55.18 7.16 -8.7 -1.09 0
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11182 111593 1 NH16C17 AB16C17 62.49 2.49 0.0 0.0 1
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11183 111596 1 NO3C11H15 AB3C11D15 -107.95 1.92 -9.34 -0.77 0
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11184 111600 1 BrSN2C13H29 ABC2D13E29 -52.39 2.73 -8.7 0.43 0
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11185 111602 1 NNaO2S2C7H12 ABC2D2E7F12 -124.11 9.46 -8.84 -0.52 0
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11186 111604 2 NC7H8 AB7C8 95.35 2.15 -9.51 -0.08 2
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11187 111609 2 OC4H7 AB4C7 -97.29 2.19 -10.56 -0.08 0
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11188 111610 1 O2C11H18 A2B11C18 -25.66 2.16 -10.15 0.0 0
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11189 111616 1 PO7C8H21 AB7C8D21 -403.56 4.92 -9.95 0.76 0
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11190 111624 1 Cl2C21H34 A2B21C34 -73.3 1.03 -9.21 -0.3 0
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11192 111655 1 O5C13H28 A5B13C28 -276.19 4.16 -10.29 0.58 0
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11193 111689 1 S2O7C14H26 A2B7C14D26 -314.42 3.83 -9.22 0.13 0
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11194 111690 1 NSCl2O6H7C12 ABC2D6E7F12 -120.97 4.7 -9.76 -1.69 0
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11195 111695 1 NSO3C16H19 ABC3D16E19 -91.34 3.03 -8.22 -0.74 0
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11196 111706 1 OC14H28 AB14C28 -91.64 2.06 -9.71 1.1 0
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11197 111716 1 N2O3C40H80 A2B3C40D80 -300.83 5.33 -9.36 0.57 0
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11198 111729 1 S3N4C8H20 A3B4C8D20 22.4 4.1 -8.5 -0.47 0
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11199 111740 1 O4C15H20 A4B15C20 -173.89 6.65 -10.59 -1.24 0
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11200 111781 1 SO2C7H8 AB2C7D8 -39.28 1.86 -8.57 0.02 0
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11201 111782 1 SN4O6C18H30 AB4C6D18E30 -216.89 5.66 -9.36 -0.93 0
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11202 111819 1 Cl2N4C42H59 A2B4C42D59 269.04 3.09 0.0 0.0 -1
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11203 111820 2 N2C21H29 A2B21C29 118.27 3.68 -8.05 -1.42 0
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11205 111822 2 SN2O3C10H13 AB2C3D10E13 -130.37 8.45 -8.34 -2.12 0
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11206 111832 2 O5C14H29 A5B14C29 -565.11 4.84 -10.94 0.65 0
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11207 111882 1 NC19H41 AB19C41 -91.89 1.99 -9.25 3.56 0
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11208 111885 1 O3C15H32 A3B15C32 -205.64 1.8 -10.24 1.45 0
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11209 111899 2 SN3O3C28H29 AB3C3D28E29 -0.67 4.01 -7.91 -1.75 0
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11210 111900 1 ClPSN3O3C10H19 ABCD3E3F10G19 -181.59 2.15 -9.37 -0.18 0
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11211 111901 1 BrO2N3C6H6 AB2C3D6E6 12.29 4.6 -9.59 -1.42 0
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11212 111906 1 ClSN2O2C11F11H16 ABC2D2E11F11G16 -640.96 10.58 -8.53 -1.54 0
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11213 111908 1 ISN2O2C11F11H16 ABC2D2E11F11G16 -622.67 11.49 -7.57 -1.21 0
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11214 111933 1 Na2S2N6O9H24C28 A2B2C6D9E24F28 -222.75 41.88 -8.05 -1.97 0
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11215 111934 1 S2N6O9H26C28 A2B6C9D26E28 -180.22 12.96 -8.64 -1.65 0
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11216 111999 1 O2C11H24 A2B11C24 -138.24 2.96 -9.89 1.9 0