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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
73552 |
48418111 |
1 |
O2N3C17H17 |
A2B3C17D17 |
6.62 |
2.72 |
-8.96 |
-0.72 |
0 |
|
|
73553 |
48418112 |
1 |
N2O2C17H20 |
A2B2C17D20 |
-40.86 |
2.32 |
-8.43 |
0.29 |
0 |
|
|
73554 |
48418114 |
1 |
ClN2O3C13H15 |
AB2C3D13E15 |
-60.38 |
3.81 |
-9.49 |
-0.31 |
0 |
|
|
73555 |
48418117 |
1 |
O2N3C24H29 |
A2B3C24D29 |
-31.41 |
6.57 |
-8.48 |
-0.16 |
0 |
|
|
73556 |
48418119 |
1 |
ClN3O3C20H26 |
AB3C3D20E26 |
-64.21 |
4.66 |
-8.87 |
-0.24 |
0 |
|
|
73557 |
48418130 |
1 |
N3O4C21H25 |
A3B4C21D25 |
-100.02 |
2.0 |
-8.49 |
-0.02 |
0 |
|
|
73558 |
48418135 |
1 |
N3O5C21H21 |
A3B5C21D21 |
-104.8 |
2.95 |
-8.88 |
-1.12 |
0 |
|
|
73559 |
48418143 |
1 |
ClO2N3C14H16 |
AB2C3D14E16 |
-18.33 |
3.81 |
-10.01 |
-0.37 |
0 |
|
|
73560 |
48418146 |
1 |
O2N3C13H15 |
A2B3C13D15 |
15.28 |
2.94 |
-8.91 |
-0.62 |
0 |
|
|
73561 |
48418149 |
1 |
ON3C19H29 |
AB3C19D29 |
-37.31 |
5.17 |
-8.32 |
-0.02 |
0 |
|
|
73562 |
48418151 |
1 |
Cl2N3O4H15C16 |
A2B3C4D15E16 |
-104.52 |
3.18 |
-8.52 |
-0.85 |
0 |
|
|
73563 |
48418152 |
1 |
Cl2N3O3C17H17 |
A2B3C3D17E17 |
-75.97 |
4.67 |
-9.05 |
-0.62 |
0 |
|
|
73564 |
48418153 |
1 |
O2N4C19H22 |
A2B4C19D22 |
15.36 |
4.18 |
-8.88 |
-0.58 |
0 |
|
|
73565 |
48418168 |
1 |
ON4C22H26 |
AB4C22D26 |
39.6 |
4.51 |
-8.82 |
-0.57 |
0 |
|
|
73566 |
48418172 |
2 |
ON2C11H13 |
AB2C11D13 |
5.09 |
4.42 |
-8.9 |
-0.6 |
0 |
|
|
73567 |
48418176 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-38.09 |
5.37 |
-8.76 |
0.03 |
0 |
|
|
73568 |
48418177 |
1 |
N3O3C22H25 |
A3B3C22D25 |
-51.31 |
4.5 |
-8.69 |
-0.82 |
0 |
|
|
73569 |
48418219 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-83.24 |
4.03 |
-8.99 |
-0.6 |
0 |
|
|
73570 |
48418222 |
2 |
ON2C9H12 |
AB2C9D12 |
-25.92 |
2.85 |
-8.73 |
-0.76 |
0 |
|
|
73571 |
48418231 |
1 |
ClFN3O4C16H17 |
ABC3D4E16F17 |
-125.31 |
2.78 |
-10.0 |
-0.69 |
0 |
|
|
73572 |
48418236 |
1 |
N3O4C20H25 |
A3B4C20D25 |
-99.4 |
1.98 |
-8.52 |
-0.05 |
0 |
|
|
73573 |
48418237 |
1 |
ClN3O5C18H22 |
AB3C5D18E22 |
-126.13 |
4.04 |
-8.48 |
-0.24 |
0 |
|
|
73574 |
48418242 |
1 |
N2O3C21H22 |
A2B3C21D22 |
-57.04 |
5.92 |
-8.75 |
-0.74 |
0 |
|
|
73575 |
48418244 |
1 |
O2N4C17H18 |
A2B4C17D18 |
-6.26 |
2.25 |
-8.56 |
-0.92 |
0 |
|
|
73576 |
48418247 |
1 |
ClO3N4C13H13 |
AB3C4D13E13 |
-24.76 |
2.86 |
-9.97 |
-1.03 |
0 |
|
|
73577 |
48418251 |
1 |
ClO2N4H15C18 |
AB2C4D15E18 |
22.57 |
3.17 |
-9.06 |
-0.86 |
0 |
|
|
73578 |
48418252 |
1 |
ClO2N3C18H18 |
AB2C3D18E18 |
-26.7 |
0.85 |
-8.53 |
-0.87 |
0 |
|
|
73579 |
48418255 |
1 |
ON3C20H21 |
AB3C20D21 |
37.1 |
2.75 |
-8.97 |
-0.6 |
0 |
|
|
73580 |
48418259 |
1 |
ClN2O2C10H13 |
AB2C2D10E13 |
-28.28 |
3.5 |
-9.81 |
-0.36 |
0 |
|
|
73581 |
48418260 |
1 |
Cl2N3O3H15C16 |
A2B3C3D15E16 |
-68.14 |
1.87 |
-8.98 |
-0.89 |
0 |
|
|
73582 |
48418282 |
1 |
ClO2N3C13H14 |
AB2C3D13E14 |
-10.74 |
5.28 |
-9.39 |
-0.33 |
0 |
|
|
73583 |
48418299 |
1 |
Cl2N3O4C18H19 |
A2B3C4D18E19 |
-100.53 |
4.39 |
-8.53 |
-0.64 |
0 |
|
|
73584 |
48418313 |
1 |
ON3C18H19 |
AB3C18D19 |
17.12 |
4.59 |
-8.34 |
-0.36 |
0 |
|
|
73585 |
48418325 |
1 |
O2N3C17H17 |
A2B3C17D17 |
6.86 |
3.7 |
-8.99 |
-0.7 |
0 |
|
|
73586 |
48418355 |
1 |
ON3C21H25 |
AB3C21D25 |
11.3 |
6.41 |
-8.4 |
-0.08 |
0 |
|
|
73587 |
48418366 |
1 |
Cl2O3N4C13H14 |
A2B3C4D13E14 |
-77.07 |
2.32 |
-9.32 |
-1.03 |
0 |
|
|
73588 |
48418380 |
1 |
ClO2N3C20H26 |
AB2C3D20E26 |
-29.29 |
3.77 |
-8.91 |
-0.38 |
0 |
|
|
73589 |
48418388 |
1 |
ON3C23H27 |
AB3C23D27 |
14.31 |
2.25 |
-8.14 |
0.17 |
0 |
|
|
73590 |
48418394 |
1 |
O2N4C23H24 |
A2B4C23D24 |
-23.17 |
2.29 |
-8.09 |
-0.31 |
0 |
|
|
73591 |
48418396 |
1 |
O3N4H22C23 |
A3B4C22D23 |
-48.48 |
4.28 |
-8.86 |
-0.71 |
0 |
|
|
73592 |
48418402 |
1 |
N4O4C21H22 |
A4B4C21D22 |
-51.23 |
2.43 |
-8.67 |
-0.74 |
0 |
|
|
73593 |
48418412 |
1 |
N3O4C22H29 |
A3B4C22D29 |
-100.75 |
3.7 |
-8.7 |
-0.42 |
0 |
|
|
73594 |
48418427 |
1 |
SO3N5C19H21 |
AB3C5D19E21 |
-25.35 |
3.28 |
-8.32 |
-0.85 |
0 |
|
|
73595 |
48418428 |
1 |
SO3N5C17H21 |
AB3C5D17E21 |
-32.22 |
3.41 |
-8.67 |
-0.96 |
0 |
|
|
73596 |
48418436 |
1 |
ClFN3O4C16H17 |
ABC3D4E16F17 |
-128.03 |
2.04 |
-9.32 |
-0.44 |
0 |
|
|
73597 |
48418483 |
1 |
O2N3C19H19 |
A2B3C19D19 |
-11.06 |
2.95 |
-8.35 |
-0.23 |
0 |
|
|
73598 |
48418484 |
1 |
O2N3C17H19 |
A2B3C17D19 |
-19.39 |
1.57 |
-8.8 |
-0.31 |
0 |
|
|
73599 |
48418545 |
1 |
ClO2N4C20H23 |
AB2C4D20E23 |
12.5 |
6.34 |
-9.33 |
-0.82 |
0 |
|
|
73600 |
48418581 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-41.47 |
4.2 |
-8.35 |
-0.29 |
0 |
|
|
73601 |
48418649 |
1 |
ClO2N5C13H16 |
AB2C5D13E16 |
0.0 |
3.75 |
-9.44 |
-0.46 |
0 |
|
|
73602 |
48418720 |
1 |
ClO2N3C16H18 |
AB2C3D16E18 |
-13.36 |
4.5 |
-9.79 |
-0.36 |
0 |
|
|
73603 |
48418852 |
1 |
OSN4C16H22 |
ABC4D16E22 |
11.59 |
6.35 |
-9.2 |
-0.43 |
0 |
|
|
73604 |
48418898 |
1 |
ClN2O2H21C22 |
AB2C2D21E22 |
2.05 |
4.06 |
-9.42 |
-0.17 |
0 |
|
|
73605 |
48419183 |
1 |
Cl2O2N3C16H21 |
A2B2C3D16E21 |
-80.01 |
2.12 |
-9.54 |
-0.87 |
0 |
|
|
73606 |
48419204 |
1 |
Cl2O2N4C19H20 |
A2B2C4D19E20 |
-30.59 |
1.56 |
-8.97 |
-0.96 |
0 |
|
|
73607 |
48419392 |
1 |
ClN3O3C14H20 |
AB3C3D14E20 |
-99.69 |
5.6 |
-9.6 |
-0.28 |
0 |
|
|
73608 |
48419488 |
1 |
O2N3C22H27 |
A2B3C22D27 |
-53.96 |
2.35 |
-8.39 |
0.17 |
0 |
|
|
73609 |
48419498 |
1 |
SN2O5C14H18 |
AB2C5D14E18 |
-108.42 |
7.66 |
-8.92 |
-1.52 |
0 |
|
|
73610 |
48419502 |
1 |
Cl2N3O4C18H19 |
A2B3C4D18E19 |
-118.24 |
4.6 |
-8.99 |
-0.58 |
0 |
|
|
73611 |
48419506 |
1 |
BrFO2N3C13H13 |
ABC2D3E13F13 |
-68.69 |
3.52 |
-8.73 |
-0.61 |
0 |
|
|
73612 |
48419507 |
1 |
FN2O2H17C18 |
AB2C2D17E18 |
-70.97 |
7.83 |
-8.46 |
-0.16 |
0 |
|
|
73613 |
48419508 |
1 |
FN2O3H15C18 |
AB2C3D15E18 |
-94.86 |
5.78 |
-8.6 |
-0.96 |
0 |
|
|
73614 |
48419510 |
1 |
Cl2O3N4H16C17 |
A2B3C4D16E17 |
-68.98 |
4.33 |
-9.73 |
-0.95 |
0 |
|
|
73615 |
48419511 |
1 |
N3O3H19C20 |
A3B3C19D20 |
-54.24 |
4.47 |
-9.14 |
-0.96 |
0 |
|
|
73616 |
48419512 |
1 |
SN4O4C16H18 |
AB4C4D16E18 |
-20.95 |
5.23 |
-9.33 |
-1.83 |
0 |
|
|
73617 |
48419513 |
1 |
O2N4C19H20 |
A2B4C19D20 |
-5.72 |
4.86 |
-8.98 |
-0.8 |
0 |
|
|
73618 |
48419519 |
1 |
BrON3C14H22 |
ABC3D14E22 |
-39.14 |
2.78 |
-9.44 |
-0.31 |
0 |
|
|
73619 |
48419522 |
1 |
ClO2N4C11H13 |
AB2C4D11E13 |
1.02 |
2.37 |
-8.76 |
-0.38 |
0 |
|
|
73620 |
48419523 |
1 |
ON4C14H18 |
AB4C14D18 |
25.64 |
2.07 |
-8.54 |
0.23 |
0 |
|
|
73621 |
48419529 |
1 |
ON3C22H25 |
AB3C22D25 |
10.93 |
7.82 |
-8.43 |
-0.08 |
0 |
|
|
73622 |
48419530 |
1 |
ClN2O4C18H23 |
AB2C4D18E23 |
-112.5 |
2.31 |
-8.33 |
-0.32 |
0 |
|
|
73623 |
48419532 |
1 |
ClN2O4C19H25 |
AB2C4D19E25 |
-119.09 |
4.51 |
-8.3 |
-0.27 |
0 |
|
|
73624 |
48419534 |
3 |
NOC8H9 |
ABC8D9 |
-72.79 |
9.07 |
-8.03 |
-0.25 |
0 |
|
|
73625 |
48419536 |
1 |
SN3O6C17H17 |
AB3C6D17E17 |
-106.8 |
4.63 |
-9.01 |
-1.88 |
0 |
|
|
73626 |
48419540 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-116.92 |
4.24 |
-8.3 |
-0.01 |
0 |
|
|
73627 |
48419542 |
1 |
SN3O6C18H19 |
AB3C6D18E19 |
-115.12 |
3.75 |
-9.0 |
-1.97 |
0 |
|
|
73628 |
48419543 |
1 |
ON4C21H22 |
AB4C21D22 |
35.3 |
6.29 |
-8.43 |
-0.15 |
0 |
|
|
73629 |
48419544 |
1 |
ClO2N4C17H19 |
AB2C4D17E19 |
2.51 |
4.28 |
-8.89 |
-0.46 |
0 |
|
|
73630 |
48419545 |
1 |
O2N4H20C21 |
A2B4C20D21 |
10.37 |
5.77 |
-8.82 |
-1.07 |
0 |
|
|
73631 |
48419546 |
1 |
OSN3C21H25 |
ABC3D21E25 |
24.6 |
5.56 |
-8.14 |
0.22 |
0 |
|
|
73632 |
48419550 |
1 |
ClO2N4H19C20 |
AB2C4D19E20 |
-5.53 |
5.49 |
-8.99 |
-0.85 |
0 |
|
|
73633 |
48419551 |
1 |
ClSN3O5H16C17 |
ABC3D5E16F17 |
-78.76 |
9.33 |
-9.64 |
-1.86 |
0 |
|
|
73634 |
48419552 |
1 |
ClO2N3C20H20 |
AB2C3D20E20 |
-39.43 |
8.23 |
-8.65 |
-0.32 |
0 |
|
|
73635 |
48419554 |
1 |
SN4O5C18H26 |
AB4C5D18E26 |
-116.79 |
10.86 |
-8.77 |
-1.4 |
0 |
|
|
73636 |
48419560 |
1 |
ON5C23H27 |
AB5C23D27 |
46.92 |
3.71 |
-8.24 |
-0.85 |
0 |
|
|
73637 |
48419564 |
1 |
ON4C19H22 |
AB4C19D22 |
22.67 |
5.0 |
-8.48 |
-0.15 |
0 |
|
|
73638 |
48419571 |
1 |
N3O3C16H19 |
A3B3C16D19 |
-83.51 |
1.17 |
-9.01 |
-0.93 |
0 |
|
|
73639 |
48419573 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-25.84 |
7.12 |
-8.85 |
-0.44 |
0 |
|
|
73640 |
48419575 |
1 |
N3O4C15H21 |
A3B4C15D21 |
-145.08 |
6.49 |
-9.05 |
0.02 |
0 |
|
|
73641 |
48419576 |
1 |
SO3N4C20H22 |
AB3C4D20E22 |
-34.76 |
3.69 |
-9.12 |
-0.77 |
0 |
|
|
73642 |
48419584 |
1 |
O2N4C19H20 |
A2B4C19D20 |
-0.08 |
4.43 |
-8.72 |
-0.88 |
0 |
|
|
73643 |
48419585 |
1 |
N3O3H19C20 |
A3B3C19D20 |
-67.24 |
2.81 |
-8.54 |
-0.89 |
0 |
|
|
73644 |
48419587 |
1 |
BrClO2N5C15H17 |
ABC2D5E15F17 |
7.68 |
2.29 |
-9.15 |
-0.79 |
0 |
|
|
73645 |
48419589 |
1 |
ON4C18H18 |
AB4C18D18 |
69.52 |
1.77 |
-8.71 |
-0.8 |
0 |
|
|
73646 |
48419591 |
1 |
BrON4C14H17 |
ABC4D14E17 |
35.64 |
2.4 |
-9.21 |
-0.15 |
0 |
|
|
73647 |
48419592 |
1 |
ON3C16H19 |
AB3C16D19 |
32.87 |
3.07 |
-8.67 |
0.01 |
0 |
|
|
73648 |
48419593 |
1 |
ClO2N3C14H16 |
AB2C3D14E16 |
7.88 |
2.18 |
-8.92 |
-0.67 |
0 |
|
|
73649 |
48419594 |
1 |
N2O2C19H22 |
A2B2C19D22 |
-20.51 |
4.03 |
-8.68 |
-0.98 |
0 |
|
|
73650 |
48419597 |
1 |
N3O3C16H17 |
A3B3C16D17 |
-53.2 |
3.18 |
-9.56 |
-0.48 |
0 |
|
|
73651 |
48419602 |
1 |
O2N3H23C25 |
A2B3C23D25 |
-2.96 |
6.45 |
-8.54 |
-0.62 |
0 |