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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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1312 4141 1 NOC9H16 ABC9D16 -1.46 3.6 0.0 0.0 1
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1313 4143 1 SN2O4H16C18 AB2C4D16E18 -64.46 3.09 -9.47 -1.14 0
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1314 4144 1 SN2O4C15H16 AB2C4D15E16 -86.13 5.21 -8.98 -0.83 0
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1315 4145 1 SN2O4H18C21 AB2C4D18E21 -40.97 7.72 -8.91 -1.03 0
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1316 4150 1 NSO3C19H21 ABC3D19E21 -55.4 5.58 -9.02 -0.92 0
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1317 4154 1 SN2O6C17H18 AB2C6D17E18 -139.0 6.6 -8.84 -0.88 0
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1318 4155 2 NO5C18H24 AB5C18D24 -303.82 3.62 -8.42 -0.65 0
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1319 4157 1 NO2C17H32 AB2C17D32 -103.51 2.47 0.0 0.0 1
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1320 4158 1 NO2C14H19 AB2C14D19 -76.75 2.68 -8.98 0.09 0
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1321 4161 1 OSN2C5H6 ABC2D5E6 -15.7 7.47 -9.86 -0.93 0
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1322 4163 1 O2N3C21H27 A2B3C21D27 -48.43 6.52 -8.24 -0.3 0
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1323 4164 1 NSO2H13C15 ABC2D13E15 -37.26 5.0 -8.11 -0.63 0
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1324 4168 1 ClO2N3C14H22 AB2C3D14E22 -86.81 6.55 -8.45 -0.26 0
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1325 4169 1 ClNO2C15H22 ABC2D15E22 -93.67 5.03 -9.48 0.0 0
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1326 4170 1 ClSN3O3C16H16 ABC3D3E16F16 -79.99 9.1 -9.45 -0.89 0
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1327 4172 1 I3N3O8C18H22 A3B3C8D18E22 -268.94 6.87 -8.48 -1.69 0
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1328 4174 1 ON2C14H14 AB2C14D14 24.06 5.7 -9.91 -0.92 0
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1329 4175 4 OC6H9 AB6C9 -209.32 5.66 -8.91 0.65 0
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1330 4179 2 O5C19H19 A5B19C19 -285.71 3.2 -9.42 -1.17 0
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1331 4181 1 NS2O5C8H17 AB2C5D8E17 -217.31 10.1 -8.32 -0.3 0
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1332 4184 2 NC9H10 AB9C10 56.47 1.54 -7.93 0.3 0
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1333 4185 2 NO4C23H24 AB4C23D24 -279.1 6.13 -7.72 -0.02 0
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1334 4191 1 N5O8C20H41 A5B8C20D41 -365.88 8.72 -9.18 1.0 0
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1335 4192 1 ClFN3H13C18 ABC3D13E18 44.81 3.88 -9.14 -1.01 0
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1336 4193 1 NO14C44H73 AB14C44D73 -674.09 3.37 -8.52 0.1 0
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1337 4194 1 NO17C44H69 AB17C44D69 -767.88 4.46 -8.64 0.08 0
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1338 4196 1 NO2C29H35 AB2C29D35 -18.68 8.37 -8.16 -0.16 0
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1339 4197 1 ON3H9C12 AB3C9D12 34.3 7.12 -9.71 -1.32 0
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1340 4200 1 N3O7C23H27 A3B7C23D27 -240.87 8.0 -8.72 -0.74 0
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1341 4201 1 ON5C9H15 AB5C9D15 29.26 5.57 -8.7 -0.26 0
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1342 4202 1 SO4N5C9H15 AB4C5D9E15 -104.25 12.06 -9.61 -1.16 0
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1343 4203 1 SO4N5C9H16 AB4C5D9E16 -121.47 6.85 0.0 0.0 1
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1344 4205 1 N3C17H19 A3B17C19 63.46 2.08 -8.15 0.06 0
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1345 4206 1 O5C21H36 A5B21C36 -277.55 5.85 -9.88 0.36 0
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1346 4208 2 BrO2C3H6 AB2C3D6 -194.24 1.83 -10.79 -0.54 0
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1347 4209 1 N3O6C16H19 A3B6C16D19 -163.91 3.52 -9.27 -1.83 0
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1348 4210 2 N2O2C7H8 A2B2C7D8 -126.92 1.8 -8.89 -1.37 0
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1349 4212 2 N2O3C11H14 A2B3C11D14 -193.57 3.01 -7.8 -1.57 0
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1350 4216 1 ISN2O2C15H17 ABC2D2E15F17 -21.12 4.73 -8.98 -1.32 0
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1351 4219 1 N3O4C19H29 A3B4C19D29 -153.67 3.48 -9.46 0.18 0
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1352 4220 1 NO2C18H35 AB2C18D35 -115.64 3.27 -9.58 0.27 0
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1353 4223 1 SN2O4H20C21 AB2C4D20E21 -57.7 6.96 -9.31 -0.93 0
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1354 4224 1 SN2O5C14H22 AB2C5D14E22 -170.65 8.99 -9.12 -0.69 0
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1355 4227 1 NO3H15C16 AB3C15D16 -48.13 5.54 -9.43 -0.63 0
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1356 4229 1 SN2O5C17H18 AB2C5D17E18 -120.82 6.55 -9.24 -0.78 0
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1357 4232 2 N2O4H15C24 A2B4C15D24 31.74 15.42 -8.59 -2.25 0
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1358 4233 1 MnN8H36C44 AB8C36D44 452.71 1.71 0.0 0.0 5
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1359 4234 2 N4H19C22 A4B19C22 342.48 18.29 -6.06 -2.38 4
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1360 4235 1 ClN2O2C13H17 AB2C2D13E17 -70.03 3.61 -8.86 -0.68 0
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1361 4238 1 N4O4C9H14 A4B4C9D14 -59.13 8.91 -9.33 -1.27 0
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1362 4239 1 N4O4C9H15 A4B4C9D15 -71.68 4.88 0.0 0.0 1
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1363 4242 1 O11C36H61 A11B36C61 -556.59 6.82 0.0 0.0 -1
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1364 4243 1 O11C36H62 A11B36C62 -584.75 4.11 -9.24 0.47 0
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1365 4246 1 NO6C16H23 AB6C16D23 -240.06 2.42 -9.04 0.27 0
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1366 4247 1 SO2N3C17H25 AB2C3D17E25 -47.64 4.46 -8.9 -0.89 0
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1367 4249 1 FNO2C22H26 ABC2D22E26 -108.43 3.52 -8.95 -0.66 0
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1368 4250 1 SN2C12H16 AB2C12D16 46.33 2.03 -8.65 -0.4 0
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1369 4251 1 O7H10C15 A7B10C15 -217.62 11.7 -9.12 -1.86 0
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1370 4253 1 NO3C17H19 AB3C17D19 -78.09 4.55 -8.55 -0.01 0
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1372 4255 1 O3N4C10H16 A3B4C10D16 -49.66 6.3 -9.14 -0.92 0
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1373 4258 1 N2O9C18H18 A2B9C18D18 -315.87 8.53 -9.53 -1.08 0
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1374 4262 1 NO3C16H27 AB3C16D27 -166.16 3.43 -10.0 -0.92 0
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1375 4265 1 O8C27H44 A8B27C44 -410.8 4.4 -9.86 -0.65 0
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1376 4266 2 NOC2H3 ABC2D3 -24.7 5.62 -9.81 -0.39 0
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1377 4268 1 N4O16C51H72 A4B16C51D72 -591.21 15.83 -9.12 -1.32 0
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1378 4269 1 N4O17C50H72 A4B17C50D72 -664.53 7.61 -9.5 -0.91 0
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1379 4270 1 N4O13C46H62 A4B13C46D62 -455.11 8.43 -8.96 -0.93 0
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1380 4271 1 NO7C23H31 AB7C23D31 -282.64 8.29 -8.86 -0.78 0
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1381 4273 2 ON3C12H14 AB3C12D14 16.85 3.27 -8.26 0.05 0
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1382 4274 2 PO2C9H20 AB2C9D20 -245.96 1.44 -8.47 2.25 0
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1383 4278 2 ON2C3H6 AB2C3D6 -31.77 0.11 -9.49 -0.79 0
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1384 4280 1 NSO6C11H15 ABC6D11E15 -228.97 4.16 -9.71 -1.39 0
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1385 4283 2 N2C7H17 A2B7C17 -32.3 0.6 -8.71 3.0 0
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1386 4284 1 NOC12H17 ABC12D17 -41.41 4.63 -9.33 0.04 0
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1387 4287 1 SN2O3F5C14H15 AB2C3D5E14F15 -335.38 4.29 -10.23 -1.32 0
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1388 4288 1 SF2N2O3H12C14 AB2C2D3E12F14 -160.99 4.12 -10.25 -1.06 0
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1389 4293 1 N2O4S4C9H10 A2B4C4D9E10 -83.74 4.25 -9.24 -1.69 0
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1390 4295 1 ClN3O3H24C26 AB3C3D24E26 -49.5 1.2 -8.53 -0.86 0
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1391 4298 1 SN2O2C14H18 AB2C2D14E18 -43.46 6.83 -9.35 -0.98 0
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1392 4300 1 ClIO2N3H13C15 ABC2D3E13F15 -22.01 8.5 -9.17 -1.68 0
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1393 4302 1 NO5H7C11 AB5C7D11 -155.54 7.06 -9.78 -2.12 0
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1394 4305 1 ClSN2O2C15H19 ABC2D2E15F19 -58.05 6.2 -9.38 -1.26 0
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1395 4312 1 NPC6O8H10 ABC6D8E10 -413.91 5.79 -11.31 -0.74 0
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1396 4317 1 N2O5C15H28 A2B5C15D28 -270.0 5.37 -9.97 -0.19 0
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1397 4319 2 N2O3C19H24 A2B3C19D24 -205.38 4.29 -8.7 0.04 0
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1398 4320 1 ClO5N8C37H55 AB5C8D37E55 -204.88 4.51 -8.57 -0.94 0
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1399 4327 1 ON6H18C22 AB6C18D22 90.67 4.07 -8.59 -0.78 0
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1400 4328 1 PN2O3C20H27 AB2C3D20E27 -113.76 5.63 -9.0 -0.3 0
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1401 4329 1 N6O13C26H34 A6B13C26D34 -511.0 9.21 -9.82 -1.43 0
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1402 4331 1 SN3O4C19H35 AB3C4D19E35 -223.82 6.12 -8.7 0.14 0
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1403 4337 1 N5O10C33H39 A5B10C33D39 -425.29 6.5 -8.95 -1.32 0
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1404 4338 1 N6O10C29H36 A6B10C29D36 -347.7 10.05 -9.3 -1.49 0
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1405 4340 1 NSO4C8H13 ABC4D8E13 -165.14 4.55 -9.64 -0.63 0
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1406 4344 1 ON2C4H13 AB2C4D13 -8.96 2.64 0.0 0.0 1
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1407 4346 1 NSO6C21H27 ABC6D21E27 -204.08 6.55 -8.61 -0.57 0
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1408 4347 1 SN2O3C14H14 AB2C3D14E14 -67.66 2.28 -9.79 -1.03 0
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1409 4349 1 N3O5C26H33 A3B5C26D33 -200.67 3.69 -9.29 -0.18 0
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1410 4351 1 N2O2C9H20 A2B2C9D20 -128.19 1.97 -9.47 1.04 0
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1411 4355 1 O3N4C17H26 A3B4C17D26 -102.67 1.84 -9.24 -0.15 0
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1412 4356 1 N2O5C17H24 A2B5C17D24 -222.06 4.99 -9.73 0.02 0