Datasets:
LMucko
/
qm7

Dataset card Data Studio Files
xet
 Community
1
atoms
listlengths
4
23
coords
listlengths
4
23
metadata
dict
[ 6, 6, 7, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.4296875, -0.184326171875, -0.36376953125 ], [ -1.232421875, 0.334716796875, 0.354736328125 ], [ -0.4541015625, -0.5517578125, 1.2109375 ], [ 0.1597900390625, -0.102294921875, -0.04486083984375 ], [ 1.2783203125, 0.896484375, -0.0227661...
{ "qm9_index": null, "mol_id": "qm7_06832", "sdf_name": "qm7_06832", "atom_symbols": [ "C", "C", "N", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ...
[ 6, 7, 7, 6, 6, 6, 8, 1, 1, 1, 1, 1, 1 ]
[ [ 3.037109375, 0.1947021484375, -0.05157470703125 ], [ 1.97265625, -0.44287109375, -0.40673828125 ], [ 0.86767578125, 0.00783538818359375, 0.30419921875 ], [ -0.1982421875, -0.6220703125, -0.06951904296875 ], [ -1.525390625, -0.283447265625, ...
{ "qm9_index": null, "mol_id": "qm7_05230", "sdf_name": "qm7_05230", "atom_symbols": [ "C", "N", "N", "C", "C", "C", "O", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 0, 8 ...
[ 6, 6, 6, 8, 6, 6, 8, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -1.392578125, 1.2158203125, -0.1839599609375 ], [ -0.477294921875, 0.01329803466796875, -0.001316070556640625 ], [ -1.2802734375, -1.267578125, 0.19189453125 ], [ 0.350830078125, -0.1180419921875, -1.16796875 ], [ 1.66015625, -0.3544921875, ...
{ "qm9_index": null, "mol_id": "qm7_02492", "sdf_name": "qm7_02492", "atom_symbols": [ "C", "C", "C", "O", "C", "C", "O", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, ...
[ 6, 6, 6, 7, 6, 6, 7, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -1.328125, -0.33740234375, 1.30078125 ], [ -0.3134765625, -0.8544921875, 0.338134765625 ], [ -0.27587890625, -0.44775390625, -1.11328125 ], [ -1.2568359375, 0.487060546875, -1.6669921875 ], [ 0.8486328125, -0.017547607421875, -0.175048828...
{ "qm9_index": null, "mol_id": "qm7_06771", "sdf_name": "qm7_06771", "atom_symbols": [ "C", "C", "C", "N", "C", "C", "N", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], ...
[ 8, 6, 6, 6, 6, 7, 7, 1, 1, 1, 1, 1, 1 ]
[ [ 2.509765625, -0.7412109375, 0.013671875 ], [ 1.3818359375, -0.24755859375, 0.0045318603515625 ], [ 0.1531982421875, -1.111328125, -0.0093231201171875 ], [ -1.16796875, -0.38037109375, 0.009368896484375 ], [ -1.060546875, 1.1083984375, -0....
{ "qm9_index": null, "mol_id": "qm7_05985", "sdf_name": "qm7_05985", "atom_symbols": [ "O", "C", "C", "C", "C", "N", "N", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 1, 2 ], [ 1, 6 ...
[ 6, 6, 7, 6, 6, 7, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 1.8564453125, 0.2763671875, 0.380859375 ], [ 0.7607421875, 0.10003662109375, -0.66455078125 ], [ 0.1968994140625, -1.2666015625, -0.66357421875 ], [ -1.013671875, -1.2607421875, 0.1751708984375 ], [ -1.5380859375, 0.1341552734375, 0.05139...
{ "qm9_index": null, "mol_id": "qm7_06850", "sdf_name": "qm7_06850", "atom_symbols": [ "C", "C", "N", "C", "C", "N", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, ...
[ 6, 6, 6, 6, 8, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -3.6171875, 0.126953125, -0.001007080078125 ], [ -2.185546875, -0.0684814453125, 0.0001500844955444336 ], [ -1.0068359375, -0.2296142578125, 0.0011034011840820312 ], [ 0.423828125, -0.425048828125, 0.0022602081298828125 ], [ 1.0859375, 0.8408...
{ "qm9_index": null, "mol_id": "qm7_02941", "sdf_name": "qm7_02941", "atom_symbols": [ "C", "C", "C", "C", "O", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ ...
[ 6, 6, 6, 6, 8, 6, 8, 1, 1, 1, 1, 1, 1 ]
[ [ -2.341796875, -0.1922607421875, 0.00067138671875 ], [ -1.0029296875, 0.466552734375, 0.001819610595703125 ], [ 0.1590576171875, -0.2049560546875, -0.004772186279296875 ], [ 1.4541015625, 0.5234375, -0.003025054931640625 ], [ 1.55859375, 1.742...
{ "qm9_index": null, "mol_id": "qm7_02974", "sdf_name": "qm7_02974", "atom_symbols": [ "C", "C", "C", "C", "O", "C", "O", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 0, 8 ...
[ 6, 6, 6, 6, 6, 6, 7, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 2.060546875, 0.30029296875, -0.1392822265625 ], [ 0.5771484375, 0.10302734375, -0.078125 ], [ -0.15087890625, -0.426025390625, 1.20703125 ], [ -1.2841796875, -0.6533203125, 0.1654052734375 ], [ -0.138916015625, -1.1005859375, -0.787109375...
{ "qm9_index": null, "mol_id": "qm7_05137", "sdf_name": "qm7_05137", "atom_symbols": [ "C", "C", "C", "C", "C", "C", "N", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ ...
[ 6, 6, 6, 6, 6, 8, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 0.986328125, -0.0008540153503417969, 1.0263671875 ], [ 0.4462890625, 1.0419921875, 0.00046253204345703125 ], [ 0.8544921875, -0.0003993511199951172, -1.076171875 ], [ 0.4443359375, -1.04296875, 0.0006470680236816406 ], [ -1.07421875, -1.20019...
{ "qm9_index": null, "mol_id": "qm7_02228", "sdf_name": "qm7_02228", "atom_symbols": [ "C", "C", "C", "C", "C", "O", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, ...
[ 8, 6, 8, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 2.669921875, 0.412109375, -0.1146240234375 ], [ 1.771484375, -0.60888671875, -0.0797119140625 ], [ 2.099609375, -1.736328125, -0.436279296875 ], [ 0.375244140625, -0.1876220703125, 0.44140625 ], [ -0.331787109375, 1.0126953125, -0.2482910...
{ "qm9_index": null, "mol_id": "qm7_03791", "sdf_name": "qm7_03791", "atom_symbols": [ "O", "C", "O", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ ...
[ 6, 6, 6, 6, 8, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -1.703125, -0.10382080078125, 0.169677734375 ], [ -0.348388671875, -0.1702880859375, -0.50244140625 ], [ 0.72265625, 0.810546875, -0.010009765625 ], [ 1.576171875, -0.4404296875, 0.18359375 ], [ 0.426025390625, -1.298828125, -0.0134353637...
{ "qm9_index": null, "mol_id": "qm7_00196", "sdf_name": "qm7_00196", "atom_symbols": [ "C", "C", "C", "C", "O", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ...
[ 6, 6, 6, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 1.9951171875, -1.134765625, -0.05267333984375 ], [ 1.43359375, 0.2548828125, -0.322998046875 ], [ 0.1641845703125, 0.572265625, 0.49365234375 ], [ -0.2568359375, 2.029296875, 0.267578125 ], [ -0.99462890625, -0.3798828125, 0.2210693359375...
{ "qm9_index": null, "mol_id": "qm7_03576", "sdf_name": "qm7_03576", "atom_symbols": [ "C", "C", "C", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ ...
[ 8, 6, 6, 6, 6, 8, 6, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 2.318359375, -0.252197265625, 0.80419921875 ], [ 1.634765625, 0.395263671875, -0.255615234375 ], [ 0.1865234375, 0.1220703125, -0.11761474609375 ], [ -0.81884765625, 0.99267578125, -0.0043487548828125 ], [ -2.1015625, 0.262451171875, 0.11...
{ "qm9_index": null, "mol_id": "qm7_03662", "sdf_name": "qm7_03662", "atom_symbols": [ "O", "C", "C", "C", "C", "O", "C", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ ...
[ 7, 6, 6, 7, 6, 6, 7, 1, 1, 1, 1, 1 ]
[ [ 3.505859375, 0.004726409912109375, 0.48291015625 ], [ 2.41015625, 0.084228515625, 0.109375 ], [ 1.0107421875, 0.20458984375, -0.35546875 ], [ 0.10205078125, -0.6806640625, 0.393310546875 ], [ -1.2861328125, -0.59912109375, -0.093017578125...
{ "qm9_index": null, "mol_id": "qm7_02101", "sdf_name": "qm7_02101", "atom_symbols": [ "N", "C", "C", "N", "C", "C", "N", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], ...
[ 6, 6, 6, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -0.003215789794921875, 0.85595703125, 0.07525634765625 ], [ 1.29296875, 0.362548828125, -0.497802734375 ], [ 2.529296875, 0.29736328125, 0.362060546875 ], [ 1.8603515625, -0.9716796875, -0.08892822265625 ], [ -1.1826171875, 0.1279296875, ...
{ "qm9_index": null, "mol_id": "qm7_05605", "sdf_name": "qm7_05605", "atom_symbols": [ "C", "C", "C", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], ...
[ 7, 6, 6, 7, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.060546875, -1.01171875, 0.2734375 ], [ -0.79345703125, -0.64453125, -0.38232421875 ], [ -0.36962890625, 0.80517578125, -0.40380859375 ], [ -1.2470703125, 1.810546875, 0.222900390625 ], [ 0.366455078125, -0.184326171875, 0.468505859375 ...
{ "qm9_index": null, "mol_id": "qm7_01950", "sdf_name": "qm7_01950", "atom_symbols": [ "N", "C", "C", "N", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, ...
[ 8, 6, 8, 6, 6, 6, 7, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 1.6708984375, -1.4287109375, -0.377685546875 ], [ 1.9619140625, -0.16650390625, 0.017059326171875 ], [ 3.091796875, 0.1790771484375, 0.3291015625 ], [ 0.78369140625, 0.77685546875, -0.043914794921875 ], [ -0.486328125, 0.19140625, 0.50488...
{ "qm9_index": null, "mol_id": "qm7_06316", "sdf_name": "qm7_06316", "atom_symbols": [ "O", "C", "O", "C", "C", "C", "N", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 1, ...
[ 6, 6, 6, 8, 6, 8, 1, 1, 1, 1, 1, 1 ]
[ [ 2.298828125, -0.03668212890625, 0.2115478515625 ], [ 1.123046875, 0.41455078125, -0.2437744140625 ], [ -0.1651611328125, -0.347412109375, -0.2066650390625 ], [ -1.10546875, 0.455078125, 0.51220703125 ], [ -2.404296875, 0.18408203125, 0.23...
{ "qm9_index": null, "mol_id": "qm7_00754", "sdf_name": "qm7_00754", "atom_symbols": [ "C", "C", "C", "O", "C", "O", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 6 ], [ 0, 7 ], ...
[ 6, 6, 6, 7, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.2109375, 0.0000336766242980957, 0.2025146484375 ], [ -0.7080078125, 0.0005049705505371094, 0.3896484375 ], [ 0.0972900390625, -1.0458984375, -0.410400390625 ], [ 1.0751953125, 0.00019502639770507812, -0.78076171875 ], [ 2.20703125, -0.0008...
{ "qm9_index": null, "mol_id": "qm7_00280", "sdf_name": "qm7_00280", "atom_symbols": [ "C", "C", "C", "N", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, ...
[ 6, 6, 6, 7, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 3.36328125, 0.92333984375, 0.10528564453125 ], [ 2.388671875, 0.2193603515625, 0.063232421875 ], [ 1.201171875, -0.640625, 0.0145721435546875 ], [ 0.0003809928894042969, 0.180908203125, 0.10272216796875 ], [ -1.2001953125, -0.6416015625, ...
{ "qm9_index": null, "mol_id": "qm7_01378", "sdf_name": "qm7_01378", "atom_symbols": [ "C", "C", "C", "N", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 1, ...
[ 6, 6, 6, 8, 6, 6, 8, 1, 1, 1, 1, 1, 1 ]
[ [ 3.0546875, 0.1658935546875, 0.2479248046875 ], [ 1.9365234375, -0.09991455078125, -0.06451416015625 ], [ 0.5810546875, -0.42236328125, -0.443603515625 ], [ -0.1474609375, -0.97509765625, 0.66064453125 ], [ -1.48046875, -0.52685546875, 0.4...
{ "qm9_index": null, "mol_id": "qm7_02681", "sdf_name": "qm7_02681", "atom_symbols": [ "C", "C", "C", "O", "C", "C", "O", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 1, 2 ...
[ 6, 6, 6, 6, 8, 6, 6, 1, 1, 1, 1, 1, 1 ]
[ [ 2.037109375, 0.0819091796875, -0.005962371826171875 ], [ 0.701171875, 0.063232421875, 0.00450897216796875 ], [ -0.1611328125, -1.169921875, 0.00922393798828125 ], [ -1.5224609375, -0.5244140625, -0.00787353515625 ], [ -2.58984375, -1.12109375...
{ "qm9_index": null, "mol_id": "qm7_02400", "sdf_name": "qm7_02400", "atom_symbols": [ "C", "C", "C", "C", "O", "C", "C", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 0, 8 ...
[ 6, 6, 8, 6, 6, 6, 7, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.2734375, -0.224365234375, -0.000020802021026611328 ], [ -0.95849609375, 0.509765625, -0.00018155574798583984 ], [ -0.912109375, 1.7392578125, 0.00013363361358642578 ], [ 0.290771484375, -0.343994140625, 0.0001685619354248047 ], [ 1.5517578125,...
{ "qm9_index": null, "mol_id": "qm7_04837", "sdf_name": "qm7_04837", "atom_symbols": [ "C", "C", "O", "C", "C", "C", "N", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 0, ...
[ 6, 8, 6, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 2.130859375, 0.06689453125, 0.03851318359375 ], [ 1.634765625, -1.3447265625, 0.10638427734375 ], [ 0.394287109375, -0.7939453125, -0.407470703125 ], [ -0.9560546875, -1.15234375, 0.1416015625 ], [ -1.662109375, 0.2198486328125, 0.0276641...
{ "qm9_index": null, "mol_id": "qm7_02179", "sdf_name": "qm7_02179", "atom_symbols": [ "C", "O", "C", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, ...
[ 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 1.2568359375, -0.2337646484375, -0.00010067224502563477 ], [ 0.0000464320182800293, 0.61962890625, 0.000010669231414794922 ], [ -1.2568359375, -0.233642578125, 0.00006455183029174805 ], [ 2.1484375, 0.402587890625, -0.005126953125 ], [ 1.29394531...
{ "qm9_index": null, "mol_id": "qm7_00008", "sdf_name": "qm7_00008", "atom_symbols": [ "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ ...
[ 6, 6, 6, 8, 6, 6, 7, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 2.732421875, -0.01351165771484375, -0.140380859375 ], [ 1.46484375, -0.416748046875, 0.006732940673828125 ], [ 0.384765625, 0.56298828125, 0.2939453125 ], [ 0.57666015625, 1.7666015625, 0.411865234375 ], [ -0.9677734375, -0.01019287109375, ...
{ "qm9_index": null, "mol_id": "qm7_04546", "sdf_name": "qm7_04546", "atom_symbols": [ "C", "C", "C", "O", "C", "C", "N", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 0, ...
[ 6, 6, 6, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -1.533203125, -1.25390625, 0.15966796875 ], [ -0.9248046875, -0.000027298927307128906, -0.46533203125 ], [ -1.533203125, 1.2548828125, 0.1595458984375 ], [ 0.51123046875, -0.0003914833068847656, -0.314453125 ], [ 1.6943359375, -0.000699043273...
{ "qm9_index": null, "mol_id": "qm7_03031", "sdf_name": "qm7_03031", "atom_symbols": [ "C", "C", "C", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ ...
[ 6, 6, 6, 8, 6, 6, 7, 1, 1, 1 ]
[ [ 2.638671875, -0.080322265625, 0.180908203125 ], [ 1.4833984375, 0.22021484375, 0.0489501953125 ], [ 0.107421875, 0.58154296875, -0.10552978515625 ], [ -0.46728515625, 0.104248046875, -1.330078125 ], [ -0.943359375, -0.4990234375, -0.11694...
{ "qm9_index": null, "mol_id": "qm7_04301", "sdf_name": "qm7_04301", "atom_symbols": [ "C", "C", "C", "O", "C", "C", "N", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 1, 2 ], [ 2, ...
[ 6, 6, 6, 6, 8, 6, 7, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 1.236328125, -1.1474609375, 0.01499176025390625 ], [ 0.85791015625, 0.305419921875, -0.05511474609375 ], [ -0.39892578125, 0.77197265625, -0.2052001953125 ], [ -1.6591796875, -0.00848388671875, -0.375 ], [ -2.515625, 0.292724609375, 0.712...
{ "qm9_index": null, "mol_id": "qm7_04406", "sdf_name": "qm7_04406", "atom_symbols": [ "C", "C", "C", "C", "O", "C", "N", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 0, ...
[ 6, 6, 8, 6, 6, 6, 1, 1, 1, 1, 1, 1 ]
[ [ -2.259765625, -0.27587890625, -0.007266998291015625 ], [ -1.46875, 0.80224609375, 0.00135040283203125 ], [ -0.10455322265625, 0.87255859375, 0.00826263427734375 ], [ 0.619140625, -0.35888671875, 0.010650634765625 ], [ 2.060546875, -0.06982421...
{ "qm9_index": null, "mol_id": "qm7_00778", "sdf_name": "qm7_00778", "atom_symbols": [ "C", "C", "O", "C", "C", "C", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 6 ], [ 0, 7 ], ...
[ 6, 6, 6, 6, 7, 7, 1, 1, 1, 1, 1, 1 ]
[ [ -2.919921875, -0.1519775390625, -0.0263824462890625 ], [ -1.4921875, 0.07110595703125, -0.01317596435546875 ], [ -0.316650390625, 0.255126953125, -0.0022945404052734375 ], [ 1.087890625, 0.53662109375, 0.09991455078125 ], [ 1.818359375, -0.52...
{ "qm9_index": null, "mol_id": "qm7_00380", "sdf_name": "qm7_00380", "atom_symbols": [ "C", "C", "C", "C", "N", "N", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 6 ], [ 0, 7 ], ...
[ 6, 6, 6, 6, 7, 7, 8, 1, 1, 1, 1, 1, 1 ]
[ [ -1.671875, -0.53271484375, -0.017578125 ], [ -0.2176513671875, -0.277099609375, -0.0643310546875 ], [ 0.88427734375, -1.1005859375, 0.04022216796875 ], [ 1.994140625, -0.23095703125, -0.026947021484375 ], [ 1.62109375, 1.05078125, -0.1484...
{ "qm9_index": null, "mol_id": "qm7_03930", "sdf_name": "qm7_03930", "atom_symbols": [ "C", "C", "C", "C", "N", "N", "O", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 0, 8 ...
[ 6, 6, 6, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.08984375, -0.00038886070251464844, -0.4814453125 ], [ -0.93212890625, -0.0002586841583251953, 0.5166015625 ], [ -0.11163330078125, -1.2587890625, 0.355712890625 ], [ 1.19140625, -1.2568359375, 0.02532958984375 ], [ 1.9794921875, 0.00007420...
{ "qm9_index": null, "mol_id": "qm7_01476", "sdf_name": "qm7_01476", "atom_symbols": [ "C", "C", "C", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, ...
[ 6, 6, 6, 6, 7, 6, 7, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -1.486328125, 0.86962890625, -0.1312255859375 ], [ -0.2476806640625, 0.11236572265625, 0.2156982421875 ], [ -0.340087890625, -1.328125, 0.6416015625 ], [ 0.246826171875, -1.0068359375, -0.70556640625 ], [ 1.6728515625, -0.77294921875, -0....
{ "qm9_index": null, "mol_id": "qm7_05082", "sdf_name": "qm7_05082", "atom_symbols": [ "C", "C", "C", "C", "N", "C", "N", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ ...
[ 6, 6, 6, 6, 7, 7, 16, 1, 1, 1, 1, 1, 1 ]
[ [ 1.7099609375, -0.57861328125, 0.000006735324859619141 ], [ 0.68115234375, 0.48779296875, -0.00024771690368652344 ], [ -0.70458984375, 0.412841796875, -0.00030684471130371094 ], [ -1.5478515625, -0.806640625, 0.000003814697265625 ], [ -1.349609375...
{ "qm9_index": null, "mol_id": "qm7_06480", "sdf_name": "qm7_06480", "atom_symbols": [ "C", "C", "C", "C", "N", "N", "S", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 0, 8 ...
[ 6, 6, 6, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.634765625, 0.07855224609375, -0.6494140625 ], [ -1.8310546875, 0.208740234375, 0.63427734375 ], [ -0.46533203125, 0.78173828125, 0.376220703125 ], [ 0.68408203125, 0.10491943359375, 0.176025390625 ], [ 0.76806640625, -1.400390625, 0.12...
{ "qm9_index": null, "mol_id": "qm7_03309", "sdf_name": "qm7_03309", "atom_symbols": [ "C", "C", "C", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], ...
[ 6, 6, 6, 6, 6, 8, 6, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 1.0205078125, -0.96044921875, -0.004730224609375 ], [ 0.220703125, -0.0234832763671875, 1.015625 ], [ 0.7412109375, 1.103515625, 0.0056915283203125 ], [ 0.2200927734375, -0.01340484619140625, -1.0166015625 ], [ -1.2919921875, -0.181640625, ...
{ "qm9_index": null, "mol_id": "qm7_02151", "sdf_name": "qm7_02151", "atom_symbols": [ "C", "C", "C", "C", "C", "O", "C", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 3 ], [ ...
[ 6, 6, 6, 8, 6, 7, 7, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 2.015625, 0.3837890625, 0.257568359375 ], [ 1.01171875, -0.75634765625, 0.214111328125 ], [ -0.2176513671875, -0.47265625, -0.65234375 ], [ -0.9873046875, -1.67578125, -0.75537109375 ], [ -1.1201171875, 0.62548828125, -0.06011962890625 ...
{ "qm9_index": null, "mol_id": "qm7_04595", "sdf_name": "qm7_04595", "atom_symbols": [ "C", "C", "C", "O", "C", "N", "N", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, ...
[ 6, 8, 6, 6, 6, 7, 8, 1, 1, 1, 1, 1 ]
[ [ 1.5556640625, -0.0308837890625, 0.0733642578125 ], [ 0.95458984375, 1.265625, 0.04833984375 ], [ -0.406494140625, 1.3203125, -0.0193634033203125 ], [ -1.3173828125, 0.339599609375, -0.056915283203125 ], [ -1.0234375, -1.1103515625, 0.0136...
{ "qm9_index": null, "mol_id": "qm7_03874", "sdf_name": "qm7_03874", "atom_symbols": [ "C", "O", "C", "C", "C", "N", "O", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 6 ], [ 0, 7 ], ...
[ 6, 6, 6, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -1.8564453125, -1.2890625, 0.099365234375 ], [ -0.9697265625, -0.313232421875, 0.8642578125 ], [ 0.00009942054748535156, 0.5380859375, -0.00021636486053466797 ], [ -0.80224609375, 1.4541015625, -0.9482421875 ], [ 0.81201171875, 1.4443359375, ...
{ "qm9_index": null, "mol_id": "qm7_05938", "sdf_name": "qm7_05938", "atom_symbols": [ "C", "C", "C", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indice...
[ 6, 7, 6, 6, 8, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 2.01171875, 0.015228271484375, -0.0263214111328125 ], [ 0.76220703125, -0.6181640625, -0.435546875 ], [ -0.3349609375, -0.128662109375, 0.4150390625 ], [ -0.919921875, 1.1806640625, -0.135009765625 ], [ -2.251953125, 0.59716796875, -0.182...
{ "qm9_index": null, "mol_id": "qm7_01036", "sdf_name": "qm7_01036", "atom_symbols": [ "C", "N", "C", "C", "O", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 6 ], [ ...
[ 8, 6, 6, 6, 6, 6, 7, 1, 1, 1, 1, 1 ]
[ [ 0.51220703125, 2.09375, 0.1751708984375 ], [ 0.607421875, 0.8740234375, 0.1890869140625 ], [ 1.8876953125, 0.2325439453125, -0.00620269775390625 ], [ 2.955078125, -0.29638671875, -0.1673583984375 ], [ -0.55859375, 0.00910186767578125, 0.4...
{ "qm9_index": null, "mol_id": "qm7_06187", "sdf_name": "qm7_06187", "atom_symbols": [ "O", "C", "C", "C", "C", "C", "N", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 1, 2 ], [ 1, 4 ], ...
[ 8, 6, 6, 6, 6, 8, 7, 1, 1, 1, 1, 1 ]
[ [ -2.263671875, 1.0537109375, 0.057830810546875 ], [ -1.1298828125, 0.609375, 0.0197906494140625 ], [ -0.76220703125, -0.84375, -0.0372314453125 ], [ 0.75732421875, -0.84765625, 0.037109375 ], [ 1.1328125, 0.60302734375, -0.0196685791015625...
{ "qm9_index": null, "mol_id": "qm7_05989", "sdf_name": "qm7_05989", "atom_symbols": [ "O", "C", "C", "C", "C", "O", "N", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 1, 2 ], [ 1, 6 ], ...
[ 6, 6, 8, 6, 7, 6, 7, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -1.2109375, 1.3349609375, -0.10064697265625 ], [ -0.030670166015625, 0.509765625, 0.3046875 ], [ 0.7724609375, 1.146484375, 1.3203125 ], [ -0.07861328125, -1.00390625, 0.333251953125 ], [ -1.2939453125, -1.751953125, -0.01007843017578125 ...
{ "qm9_index": null, "mol_id": "qm7_04202", "sdf_name": "qm7_04202", "atom_symbols": [ "C", "C", "O", "C", "N", "C", "N", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, ...
[ 6, 6, 6, 6, 6, 6, 8, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 2.2890625, -0.0072021484375, 0.331298828125 ], [ 1.19140625, -0.53564453125, -0.57763671875 ], [ -0.08453369140625, -0.76416015625, 0.176025390625 ], [ -1.099609375, 0.328369140625, 0.438232421875 ], [ -0.91552734375, 1.734375, -0.0219726...
{ "qm9_index": null, "mol_id": "qm7_02592", "sdf_name": "qm7_02592", "atom_symbols": [ "C", "C", "C", "C", "C", "C", "O", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], ...
[ 6, 6, 6, 16, 7, 8, 8, 1, 1, 1, 1, 1 ]
[ [ 2.724609375, -0.150634765625, 0.045989990234375 ], [ 1.3046875, 0.11041259765625, -0.0010967254638671875 ], [ 0.1343994140625, 0.325439453125, -0.039886474609375 ], [ -1.6171875, 0.607421875, -0.131591796875 ], [ -2.423828125, -0.7978515625, ...
{ "qm9_index": null, "mol_id": "qm7_06555", "sdf_name": "qm7_06555", "atom_symbols": [ "C", "C", "C", "S", "N", "O", "O", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 0, 8 ], ...
[ 6, 8, 6, 6, 6, 6, 8, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 2.53125, 0.52197265625, -0.2135009765625 ], [ 1.2568359375, 0.04364013671875, -0.62646484375 ], [ 0.580078125, -0.62548828125, 0.4375 ], [ -0.78515625, -1.0986328125, -0.056884765625 ], [ -1.64453125, 0.0250701904296875, -0.630859375 ],...
{ "qm9_index": null, "mol_id": "qm7_03449", "sdf_name": "qm7_03449", "atom_symbols": [ "C", "O", "C", "C", "C", "C", "O", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, ...
[ 6, 6, 6, 8, 6, 6, 7, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -1.091796875, 1.3212890625, 0.299072265625 ], [ -0.13330078125, 0.1453857421875, 0.1309814453125 ], [ -0.84228515625, -1.21875, 0.1552734375 ], [ -1.6748046875, -1.3662109375, -0.9912109375 ], [ 0.9306640625, 0.33642578125, -0.98193359375...
{ "qm9_index": null, "mol_id": "qm7_04054", "sdf_name": "qm7_04054", "atom_symbols": [ "C", "C", "C", "O", "C", "C", "N", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ ...
[ 6, 8, 6, 7, 7, 6, 6, 1, 1, 1, 1 ]
[ [ -1.6298828125, 0.1641845703125, 0.08306884765625 ], [ -1.2822265625, -1.224609375, 0.3134765625 ], [ -0.13427734375, -1.0703125, -0.37841796875 ], [ 1.0625, -1.4111328125, 0.076416015625 ], [ 1.7294921875, -0.2286376953125, 0.020599365234...
{ "qm9_index": null, "mol_id": "qm7_03870", "sdf_name": "qm7_03870", "atom_symbols": [ "C", "O", "C", "N", "N", "C", "C", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 6 ], [ 0, 7 ], [ ...
[ 6, 6, 6, 8, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.90625, -0.0914306640625, -0.00286865234375 ], [ -1.4150390625, -0.20947265625, 0.0004775524139404297 ], [ -0.59716796875, 0.85302734375, 0.0029544830322265625 ], [ 0.76904296875, 0.89208984375, 0.005031585693359375 ], [ 1.466796875, -0.354...
{ "qm9_index": null, "mol_id": "qm7_03051", "sdf_name": "qm7_03051", "atom_symbols": [ "C", "C", "C", "O", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ ...
[ 8, 6, 6, 6, 1, 1, 1, 1 ]
[ [ -1.27734375, 0.94140625, -0.00034165382385253906 ], [ -0.59326171875, -0.302490234375, -0.00002276897430419922 ], [ 0.83203125, -0.07073974609375, -0.00000286102294921875 ], [ 2.0078125, 0.120361328125, 0.000013649463653564453 ], [ -2.2265625, ...
{ "qm9_index": null, "mol_id": "qm7_00046", "sdf_name": "qm7_00046", "atom_symbols": [ "O", "C", "C", "C", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ ...
[ 6, 6, 7, 7, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 3.521484375, -0.29052734375, 0.058502197265625 ], [ 2.29296875, 0.54052734375, -0.2763671875 ], [ 1.0849609375, -0.11474609375, 0.228271484375 ], [ -0.07257080078125, 0.54541015625, -0.00885009765625 ], [ -1.10546875, -0.0178070068359375, ...
{ "qm9_index": null, "mol_id": "qm7_01603", "sdf_name": "qm7_01603", "atom_symbols": [ "C", "C", "N", "N", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], ...
[ 6, 6, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.794921875, -0.289306640625, -0.292236328125 ], [ -1.5712890625, 0.5009765625, 0.1419677734375 ], [ -0.294921875, -0.328857421875, 0.0158233642578125 ], [ 0.9345703125, 0.47607421875, 0.443603515625 ], [ 2.189453125, -0.342041015625, 0....
{ "qm9_index": null, "mol_id": "qm7_00218", "sdf_name": "qm7_00218", "atom_symbols": [ "C", "C", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ ...
[ 6, 6, 6, 7, 6, 8, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -1.7412109375, -0.41796875, 0.080078125 ], [ -0.380615234375, -0.042266845703125, -0.39501953125 ], [ 0.277099609375, 1.20703125, 0.07281494140625 ], [ 0.703125, -0.08197021484375, 0.54052734375 ], [ 1.935546875, -0.60009765625, 0.1818847...
{ "qm9_index": null, "mol_id": "qm7_00942", "sdf_name": "qm7_00942", "atom_symbols": [ "C", "C", "C", "N", "C", "O", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 6 ], [ 0, 7 ...
[ 6, 6, 8, 7, 6, 8, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -3.09375, 0.045928955078125, -0.0399169921875 ], [ -1.681640625, -0.49853515625, 0.054046630859375 ], [ -0.767578125, 0.595703125, -0.005489349365234375 ], [ 0.53857421875, 0.08209228515625, -0.00199127197265625 ], [ 1.3671875, 1.06640625, ...
{ "qm9_index": null, "mol_id": "qm7_04948", "sdf_name": "qm7_04948", "atom_symbols": [ "C", "C", "O", "N", "C", "O", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ...
[ 7, 6, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.228515625, -0.45947265625, -0.6435546875 ], [ -1.416015625, 0.315673828125, 0.279296875 ], [ -0.0012273788452148438, -0.1575927734375, 0.2386474609375 ], [ 1.0400390625, 0.6220703125, -0.0870361328125 ], [ 2.357421875, 0.12841796875, -...
{ "qm9_index": null, "mol_id": "qm7_00551", "sdf_name": "qm7_00551", "atom_symbols": [ "N", "C", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 6 ], [ 0, 7 ...
[ 6, 6, 6, 7, 6, 6, 8, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 2.39453125, 0.420166015625, 0.0645751953125 ], [ 1.1044921875, 0.201171875, -0.218994140625 ], [ 0.438720703125, -1.154296875, -0.1343994140625 ], [ -0.84619140625, -1.1083984375, 0.57373046875 ], [ -1.6640625, -0.028411865234375, 0.00707...
{ "qm9_index": null, "mol_id": "qm7_03995", "sdf_name": "qm7_03995", "atom_symbols": [ "C", "C", "C", "N", "C", "C", "O", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ...
[ 7, 6, 6, 6, 6, 8, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 2.02734375, -0.197021484375, -0.223876953125 ], [ 0.705078125, -0.580078125, 0.27587890625 ], [ -0.4326171875, -0.29345703125, -0.76171875 ], [ -0.1934814453125, 1.2255859375, -0.447998046875 ], [ -0.07135009765625, 0.59619140625, 0.98779...
{ "qm9_index": null, "mol_id": "qm7_05478", "sdf_name": "qm7_05478", "atom_symbols": [ "N", "C", "C", "C", "C", "O", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ...
[ 6, 6, 6, 6, 6, 6, 7, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 0.2100830078125, -1.9833984375, -0.000026047229766845703 ], [ 0.41357421875, -0.51220703125, 0.00020992755889892578 ], [ -0.49365234375, 0.53564453125, 0.00016379356384277344 ], [ -1.9765625, 0.4375, 0.00001817941665649414 ], [ 0.268310546875, ...
{ "qm9_index": null, "mol_id": "qm7_06726", "sdf_name": "qm7_06726", "atom_symbols": [ "C", "C", "C", "C", "C", "C", "N", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ...
[ 6, 6, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.421875, 0.234130859375, -0.010498046875 ], [ -1.02734375, 0.77734375, 0.00933074951171875 ], [ 0.13916015625, 0.097900390625, 0.007049560546875 ], [ 0.2410888671875, -1.40625, 0.01256561279296875 ], [ 1.3857421875, 0.86328125, 0.008262...
{ "qm9_index": null, "mol_id": "qm7_00759", "sdf_name": "qm7_00759", "atom_symbols": [ "C", "C", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 6 ...
[ 6, 6, 6, 6, 8, 7, 8, 1, 1, 1, 1, 1 ]
[ [ -1.896484375, -0.1326904296875, 0.00128173828125 ], [ -0.411376953125, -0.09857177734375, -0.0011320114135742188 ], [ 0.37158203125, 0.97900390625, -0.0026569366455078125 ], [ 1.7236328125, 0.431884765625, -0.0025081634521484375 ], [ 2.74609375, ...
{ "qm9_index": null, "mol_id": "qm7_03963", "sdf_name": "qm7_03963", "atom_symbols": [ "C", "C", "C", "C", "O", "N", "O", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 0, 8 ], ...
[ 6, 6, 6, 8, 6, 6, 7, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.33984375, -1.154296875, 0.1451416015625 ], [ -1.4384765625, 0.04119873046875, 0.0264892578125 ], [ -1.9365234375, 1.263671875, -0.2294921875 ], [ -0.10968017578125, -0.271240234375, 0.207763671875 ], [ 0.85400390625, 0.77978515625, 0.0...
{ "qm9_index": null, "mol_id": "qm7_04559", "sdf_name": "qm7_04559", "atom_symbols": [ "C", "C", "C", "O", "C", "C", "N", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ ...
[ 6, 6, 6, 8, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.197265625, -0.21044921875, -0.075439453125 ], [ -0.71533203125, -0.544921875, 0.038848876953125 ], [ 0.1781005859375, 0.64599609375, -0.33349609375 ], [ -0.08367919921875, 1.7294921875, 0.5546875 ], [ 1.6630859375, 0.407470703125, -0.2...
{ "qm9_index": null, "mol_id": "qm7_00749", "sdf_name": "qm7_00749", "atom_symbols": [ "C", "C", "C", "O", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 6 ...
[ 7, 6, 6, 6, 6, 7, 8, 1, 1, 1, 1 ]
[ [ 2.6015625, 0.086181640625, 1.25390625 ], [ 1.763671875, 0.08416748046875, 0.465087890625 ], [ 0.7119140625, 0.08154296875, -0.5244140625 ], [ -0.4833984375, -0.7373046875, -0.09405517578125 ], [ -1.3505859375, 0.361083984375, 0.3820800781...
{ "qm9_index": null, "mol_id": "qm7_05621", "sdf_name": "qm7_05621", "atom_symbols": [ "N", "C", "C", "C", "C", "N", "O", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ ...
[ 6, 6, 6, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -1.33203125, 1.578125, 0.00043773651123046875 ], [ -0.1083984375, 0.7333984375, -0.001041412353515625 ], [ 1.1669921875, 1.1630859375, -0.0013589859008789062 ], [ 2.103515625, -0.006801605224609375, 0.0004229545593261719 ], [ 1.15234375, -1.1...
{ "qm9_index": null, "mol_id": "qm7_07130", "sdf_name": "qm7_07130", "atom_symbols": [ "C", "C", "C", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, ...
[ 6, 6, 7, 6, 16, 7, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.48046875, -0.181640625, -0.568359375 ], [ -1.6240234375, -0.1346435546875, 0.6845703125 ], [ -0.2012939453125, -0.1380615234375, 0.371337890625 ], [ 0.58642578125, 0.9453125, 0.11114501953125 ], [ 0.10784912109375, 2.54296875, 0.111572...
{ "qm9_index": null, "mol_id": "qm7_06563", "sdf_name": "qm7_06563", "atom_symbols": [ "C", "C", "N", "C", "S", "N", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, ...
[ 6, 6, 6, 7, 6, 6, 8, 1, 1, 1, 1, 1 ]
[ [ 2.337890625, 0.37451171875, 0.000003933906555175781 ], [ 1.4150390625, -0.59619140625, 0.0000011920928955078125 ], [ 0.0196380615234375, -0.32080078125, -0.0000025033950805664062 ], [ -0.9365234375, -1.2412109375, -0.000002086162567138672 ], [ -2...
{ "qm9_index": null, "mol_id": "qm7_04279", "sdf_name": "qm7_04279", "atom_symbols": [ "C", "C", "C", "N", "C", "C", "O", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 0, 8 ], ...
[ 6, 8, 6, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 3.283203125, -0.446044921875, 0.0006837844848632812 ], [ 2.796875, 0.892578125, 0.0021877288818359375 ], [ 1.439453125, 1.0595703125, 0.0001901388168334961 ], [ 0.47314453125, 0.1302490234375, -0.00251007080078125 ], [ -0.93310546875, 0.46264...
{ "qm9_index": null, "mol_id": "qm7_03362", "sdf_name": "qm7_03362", "atom_symbols": [ "C", "O", "C", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, ...
[ 7, 6, 7, 6, 6, 8, 6, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 1.5283203125, 0.875, -0.3251953125 ], [ 1.1337890625, -0.27978515625, 0.267578125 ], [ 1.9609375, -1.1611328125, 0.70849609375 ], [ -0.393310546875, -0.51318359375, 0.39990234375 ], [ -1.298828125, 0.677734375, 0.7353515625 ], [ -...
{ "qm9_index": null, "mol_id": "qm7_05813", "sdf_name": "qm7_05813", "atom_symbols": [ "N", "C", "N", "C", "C", "O", "C", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ ...
[ 6, 6, 6, 7, 7, 6, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.2734375, -0.135498046875, 0.51171875 ], [ -1.3056640625, 0.43994140625, -0.50390625 ], [ 0.0008053779602050781, -0.299072265625, -0.445556640625 ], [ 1.0888671875, 0.306884765625, -0.09637451171875 ], [ 2.166015625, -0.572265625, -0.11...
{ "qm9_index": null, "mol_id": "qm7_00419", "sdf_name": "qm7_00419", "atom_symbols": [ "C", "C", "C", "N", "N", "C", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 6 ], [ 0, ...
[ 6, 6, 6, 6, 7, 6, 7, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -0.6904296875, -1.052734375, 0.35498046875 ], [ 0.6669921875, -1.115234375, -0.3310546875 ], [ 1.5458984375, 0.05767822265625, -0.032806396484375 ], [ 1.1787109375, 1.3349609375, 0.1234130859375 ], [ -0.03204345703125, 1.9453125, -0.01125...
{ "qm9_index": null, "mol_id": "qm7_04561", "sdf_name": "qm7_04561", "atom_symbols": [ "C", "C", "C", "C", "N", "C", "N", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 6 ], [ ...
[ 6, 8, 6, 6, 6, 6, 7, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.529296875, -1.0400390625, -0.054351806640625 ], [ -1.1572265625, -0.81982421875, -0.360595703125 ], [ -0.6494140625, 0.449951171875, -0.18603515625 ], [ -1.3427734375, 1.5263671875, 0.2208251953125 ], [ 0.82177734375, 0.5498046875, -0....
{ "qm9_index": null, "mol_id": "qm7_05327", "sdf_name": "qm7_05327", "atom_symbols": [ "C", "O", "C", "C", "C", "C", "N", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ ...
[ 6, 6, 6, 7, 7, 6, 16, 1, 1 ]
[ [ 2.80859375, 0.09112548828125, -3.5762786865234375e-7 ], [ 1.6083984375, 0.02655029296875, 0.000005125999450683594 ], [ 0.185791015625, -0.053436279296875, 0.000004410743713378906 ], [ -0.44384765625, -1.2099609375, -0.0000029802322387695312 ], [ ...
{ "qm9_index": null, "mol_id": "qm7_06539", "sdf_name": "qm7_06539", "atom_symbols": [ "C", "C", "C", "N", "N", "C", "S", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 1, 2 ], [ 2, 3 ], ...
[ 6, 6, 6, 6, 16, 7, 6, 1, 1, 1 ]
[ [ 2.56640625, -0.03875732421875, 0.000005900859832763672 ], [ 1.365234375, -0.007671356201171875, 0.000009417533874511719 ], [ -0.0609130859375, 0.0283660888671875, -0.0000012516975402832031 ], [ -0.79931640625, 1.19140625, 0.0000010728836059570312 ], ...
{ "qm9_index": null, "mol_id": "qm7_06516", "sdf_name": "qm7_06516", "atom_symbols": [ "C", "C", "C", "C", "S", "N", "C", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 1, 2 ], [ 2, ...
[ 6, 7, 6, 6, 7, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 2.6484375, -0.34716796875, -0.204345703125 ], [ 1.6533203125, 0.60498046875, 0.274169921875 ], [ 0.326904296875, 0.2271728515625, -0.2386474609375 ], [ -0.35009765625, -0.81201171875, 0.68505859375 ], [ -1.5595703125, 0.047821044921875, 0...
{ "qm9_index": null, "mol_id": "qm7_01701", "sdf_name": "qm7_01701", "atom_symbols": [ "C", "N", "C", "C", "N", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], ...
[ 7, 6, 6, 6, 7, 6, 8, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 2.90625, 0.01068115234375, -0.376708984375 ], [ 1.6259765625, -0.41796875, 0.173828125 ], [ 0.53125, 0.57958984375, -0.2099609375 ], [ -0.84423828125, 0.20166015625, 0.356689453125 ], [ -1.8310546875, 1.26953125, 0.0772705078125 ], [ ...
{ "qm9_index": null, "mol_id": "qm7_05737", "sdf_name": "qm7_05737", "atom_symbols": [ "N", "C", "C", "C", "N", "C", "O", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], ...
[ 6, 7, 6, 6, 7, 6, 8, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.134765625, -0.10577392578125, -0.07855224609375 ], [ -0.90234375, 0.5341796875, -0.52294921875 ], [ 0.1817626953125, 0.2274169921875, 0.433837890625 ], [ 0.970703125, -1.013671875, -0.0626220703125 ], [ 2.201171875, -0.22021484375, 0.1...
{ "qm9_index": null, "mol_id": "qm7_05030", "sdf_name": "qm7_05030", "atom_symbols": [ "C", "N", "C", "C", "N", "C", "O", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ ...
[ 7, 6, 8, 6, 6, 1, 1, 1, 1, 1 ]
[ [ -1.7978515625, -0.137451171875, 0.000007331371307373047 ], [ -0.59423828125, 0.492431640625, -0.000023484230041503906 ], [ -0.499267578125, 1.7109375, -0.00004953145980834961 ], [ 0.56298828125, -0.4306640625, -0.000024497509002685547 ], [ 1.8125...
{ "qm9_index": null, "mol_id": "qm7_00109", "sdf_name": "qm7_00109", "atom_symbols": [ "N", "C", "O", "C", "C", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 1, ...
[ 6, 6, 6, 6, 6, 8, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -1.3935546875, -0.99560546875, -0.0003733634948730469 ], [ -0.2401123046875, 0.002471923828125, -0.0003933906555175781 ], [ -0.74853515625, 1.4462890625, 0.00046324729919433594 ], [ 0.83349609375, -0.270263671875, 1.1064453125 ], [ 1.8955078125, ...
{ "qm9_index": null, "mol_id": "qm7_02355", "sdf_name": "qm7_02355", "atom_symbols": [ "C", "C", "C", "C", "C", "O", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, ...
[ 6, 6, 7, 6, 7, 6, 16, 1, 1, 1, 1, 1, 1 ]
[ [ -2.404296875, -0.243896484375, -0.0084686279296875 ], [ -0.96142578125, 0.11651611328125, 0.0022640228271484375 ], [ 0.0235443115234375, -0.75634765625, 0.041229248046875 ], [ 1.21484375, -0.0902099609375, 0.055267333984375 ], [ 2.3359375, -0...
{ "qm9_index": null, "mol_id": "qm7_06473", "sdf_name": "qm7_06473", "atom_symbols": [ "C", "C", "N", "C", "N", "C", "S", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 0, 8 ...
[ 6, 6, 6, 7, 6, 6, 8, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -1.927734375, -0.70751953125, -0.295166015625 ], [ -0.67138671875, 0.00731658935546875, 0.13037109375 ], [ -0.80419921875, 1.505859375, 0.203857421875 ], [ 0.1744384765625, -0.6279296875, 1.150390625 ], [ 0.65966796875, -0.63818359375, -0...
{ "qm9_index": null, "mol_id": "qm7_03977", "sdf_name": "qm7_03977", "atom_symbols": [ "C", "C", "C", "N", "C", "C", "O", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ ...
[ 6, 6, 6, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -1.48046875, -1.5869140625, 0.0264892578125 ], [ -0.311767578125, -0.66552734375, -0.019622802734375 ], [ -0.307373046875, 0.67578125, -0.0182342529296875 ], [ -1.482421875, 1.5888671875, 0.02606201171875 ], [ 1.083984375, 1.220703125, -0...
{ "qm9_index": null, "mol_id": "qm7_01321", "sdf_name": "qm7_01321", "atom_symbols": [ "C", "C", "C", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], ...
[ 7, 6, 7, 6, 6, 6, 8, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 2.083984375, -0.9453125, 0.1661376953125 ], [ 1.6171875, 0.32666015625, 0.029815673828125 ], [ 2.453125, 1.3037109375, -0.1131591796875 ], [ 0.1734619140625, 0.67626953125, 0.018310546875 ], [ -0.79931640625, -0.19921875, 0.310791015625 ...
{ "qm9_index": null, "mol_id": "qm7_05820", "sdf_name": "qm7_05820", "atom_symbols": [ "N", "C", "N", "C", "C", "C", "O", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ ...
[ 6, 6, 8, 6, 8, 6, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 1.5625, -0.0014963150024414062, -0.019683837890625 ], [ 0.0909423828125, -0.0020198822021484375, 0.34814453125 ], [ -0.03790283203125, -0.01062774658203125, 1.79296875 ], [ -0.7783203125, 1.0322265625, -0.399658203125 ], [ -1.7587890625, 0.00...
{ "qm9_index": null, "mol_id": "qm7_00656", "sdf_name": "qm7_00656", "atom_symbols": [ "C", "C", "O", "C", "O", "C", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 6 ], [ 0, ...
[ 6, 6, 8, 6, 8, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -0.79931640625, 1.4150390625, -0.198486328125 ], [ -0.1527099609375, 0.050567626953125, 0.06488037109375 ], [ -0.0791015625, -0.1219482421875, 1.48828125 ], [ -1.0302734375, -1.0966796875, -0.4833984375 ], [ -2.296875, -1.1201171875, 0.17...
{ "qm9_index": null, "mol_id": "qm7_03282", "sdf_name": "qm7_03282", "atom_symbols": [ "C", "C", "O", "C", "O", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, ...
[ 8, 6, 7, 6, 6, 7, 6, 1, 1, 1, 1, 1, 1 ]
[ [ -0.734375, 2.513671875, -0.05523681640625 ], [ -0.49755859375, 1.3203125, 0.00807952880859375 ], [ -1.4111328125, 0.29296875, -0.021331787109375 ], [ -0.806640625, -1.0185546875, -0.002544403076171875 ], [ 0.6669921875, -0.7548828125, 0.1...
{ "qm9_index": null, "mol_id": "qm7_06076", "sdf_name": "qm7_06076", "atom_symbols": [ "O", "C", "N", "C", "C", "N", "C", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 1, 2 ], [ 1, 6 ...
[ 6, 6, 6, 6, 6, 6, 8, 1, 1, 1, 1, 1, 1 ]
[ [ 3.271484375, -0.192626953125, 0.004383087158203125 ], [ 2.08203125, -0.1622314453125, 0.034759521484375 ], [ 0.67724609375, -0.126220703125, 0.07061767578125 ], [ -0.05230712890625, 0.98095703125, -0.03509521484375 ], [ -1.4814453125, 0.61621...
{ "qm9_index": null, "mol_id": "qm7_02603", "sdf_name": "qm7_02603", "atom_symbols": [ "C", "C", "C", "C", "C", "C", "O", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 1, 2 ...
[ 6, 6, 6, 8, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.802734375, -0.07275390625, 0.009429931640625 ], [ -1.4453125, 0.54296875, -0.01378631591796875 ], [ -0.305908203125, -0.157470703125, -0.00672149658203125 ], [ 0.9189453125, 0.460205078125, -0.021392822265625 ], [ 2.056640625, -0.305419921...
{ "qm9_index": null, "mol_id": "qm7_00735", "sdf_name": "qm7_00735", "atom_symbols": [ "C", "C", "C", "O", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 6 ], [ 0, ...
[ 6, 6, 6, 6, 7, 6, 7, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 2.642578125, 0.356689453125, -0.418701171875 ], [ 1.3662109375, 0.29638671875, 0.406005859375 ], [ 0.3779296875, -0.72265625, -0.166748046875 ], [ -0.89111328125, -0.86083984375, 0.673828125 ], [ -1.669921875, 0.357666015625, 0.6845703125...
{ "qm9_index": null, "mol_id": "qm7_01329", "sdf_name": "qm7_01329", "atom_symbols": [ "C", "C", "C", "C", "N", "C", "N", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], ...
[ 6, 6, 8, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.26171875, -0.58935546875, 0.27734375 ], [ -1.087890625, -0.0009222030639648438, -0.4765625 ], [ -1.177734375, 1.451171875, -0.52880859375 ], [ 0.2288818359375, 1.5517578125, -0.1826171875 ], [ 0.257080078125, 0.08660888671875, 0.28125 ...
{ "qm9_index": null, "mol_id": "qm7_02522", "sdf_name": "qm7_02522", "atom_symbols": [ "C", "C", "O", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, ...
[ 6, 6, 6, 6, 7, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 1.212890625, 1.0361328125, 0.1810302734375 ], [ -0.1864013671875, 1.591796875, -0.04925537109375 ], [ -1.3251953125, 0.6748046875, 0.389892578125 ], [ -1.4697265625, -0.56005859375, -0.4970703125 ], [ -0.6435546875, -1.708984375, -0.15551...
{ "qm9_index": null, "mol_id": "qm7_04550", "sdf_name": "qm7_04550", "atom_symbols": [ "C", "C", "C", "C", "N", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, ...
[ 7, 6, 6, 7, 7, 6, 6, 1, 1, 1, 1, 1 ]
[ [ 3.8671875, 0.000013113021850585938, 0.86328125 ], [ 2.8671875, 0.00000286102294921875, 0.2666015625 ], [ 1.66015625, -0.00000947713851928711, -0.5146484375 ], [ 0.5830078125, 0.0000019669532775878906, 0.192626953125 ], [ -0.517578125, -0.0000...
{ "qm9_index": null, "mol_id": "qm7_02103", "sdf_name": "qm7_02103", "atom_symbols": [ "N", "C", "C", "N", "N", "C", "C", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], ...
[ 6, 6, 8, 6, 6, 7, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 2.42578125, -0.17041015625, -0.425537109375 ], [ 1.244140625, 0.291015625, 0.411865234375 ], [ 1.2548828125, 1.7158203125, 0.47314453125 ], [ -0.06500244140625, -0.1435546875, -0.182373046875 ], [ -0.85009765625, -1.2880859375, 0.41650390...
{ "qm9_index": null, "mol_id": "qm7_04815", "sdf_name": "qm7_04815", "atom_symbols": [ "C", "C", "O", "C", "C", "N", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ ...
[ 8, 7, 6, 6, 6, 1, 1, 1, 1, 1 ]
[ [ 2.646484375, -0.380859375, 0.0000010728836059570312 ], [ 1.576171875, 0.52099609375, -0.0000017285346984863281 ], [ 0.46728515625, -0.145263671875, -8.940696716308594e-7 ], [ -0.84130859375, 0.5361328125, -0.0000057220458984375 ], [ -1.97265625, ...
{ "qm9_index": null, "mol_id": "qm7_00118", "sdf_name": "qm7_00118", "atom_symbols": [ "O", "N", "C", "C", "C", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 5 ], [ 1, 2 ], [ 2, ...
[ 8, 6, 6, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.091796875, 0.2330322265625, 0.8984375 ], [ -1.2939453125, 0.2269287109375, -0.28857421875 ], [ -0.2220458984375, 1.3232421875, -0.1749267578125 ], [ 0.92578125, 0.64697265625, 0.5283203125 ], [ 1.9482421875, -0.164306640625, -0.2194824...
{ "qm9_index": null, "mol_id": "qm7_03527", "sdf_name": "qm7_03527", "atom_symbols": [ "O", "C", "C", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, ...
[ 6, 6, 8, 6, 8, 6, 6, 1, 1, 1, 1, 1, 1 ]
[ [ 0.02081298828125, 1.3935546875, -0.1781005859375 ], [ 0.1497802734375, -0.0546875, 0.289306640625 ], [ -0.70703125, -0.88916015625, -0.505859375 ], [ -1.99609375, -0.953125, -0.1016845703125 ], [ -2.49609375, -0.370849609375, 0.8471679687...
{ "qm9_index": null, "mol_id": "qm7_03291", "sdf_name": "qm7_03291", "atom_symbols": [ "C", "C", "O", "C", "O", "C", "C", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 0, 8 ...
[ 6, 6, 6, 7, 7, 6, 6, 1, 1, 1, 1, 1, 1 ]
[ [ 2.43359375, 0.2286376953125, 0.000039577484130859375 ], [ 1.4326171875, -0.6640625, -0.00002849102020263672 ], [ 0.0294342041015625, -0.3857421875, -0.000013589859008789062 ], [ -0.890625, -1.3603515625, 0.000033855438232421875 ], [ -2.064453125,...
{ "qm9_index": null, "mol_id": "qm7_06932", "sdf_name": "qm7_06932", "atom_symbols": [ "C", "C", "C", "N", "N", "C", "C", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ 0, 8 ...
[ 6, 6, 6, 8, 6, 8, 6, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -1.7294921875, -0.343505859375, 0.09466552734375 ], [ -0.34423828125, -0.005092620849609375, -0.424072265625 ], [ 0.1690673828125, 1.3310546875, 0.06304931640625 ], [ 1.591796875, 1.234375, -0.00658416748046875 ], [ 1.9521484375, -0.082458496...
{ "qm9_index": null, "mol_id": "qm7_02506", "sdf_name": "qm7_02506", "atom_symbols": [ "C", "C", "C", "O", "C", "O", "C", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, 1 ], [ 0, 7 ], [ ...
[ 6, 6, 6, 6, 6, 6, 7, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ -2.380859375, -0.6337890625, 0.151611328125 ], [ -1.0673828125, -0.06903076171875, -0.39306640625 ], [ -0.99560546875, 1.4345703125, -0.119384765625 ], [ 0.1226806640625, -0.82763671875, 0.2197265625 ], [ 1.439453125, -0.411865234375, -0....
{ "qm9_index": null, "mol_id": "qm7_07055", "sdf_name": "qm7_07055", "atom_symbols": [ "C", "C", "C", "C", "C", "C", "N", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ], "bond_indices": [ [ 0, ...