image imagewidth (px) 128 2.78k | file_name stringlengths 12 12 | text stringlengths 38 393 | embeddings listlengths 768 768 |
|---|---|---|---|
000011a64c74 | InChI=1S/C13H20OS/c1-9(2)8-15-13-6-5-10(3)7-12(13)11(4)14/h5-7,9,11,14H,8H2,1-4H3 | [
-0.7210341691970825,
0.5594762563705444,
-0.7361324429512024,
-0.6971807479858398,
0.6091862320899963,
-0.5257567167282104,
-0.10756977647542953,
0.6486232876777649,
-0.6702204346656799,
-0.05205700546503067,
0.48577818274497986,
-0.9158051609992981,
0.24844223260879517,
0.1414202600717544... | |
000019cc0cd2 | InChI=1S/C21H30O4/c1-12(22)25-14-6-8-20(2)13(10-14)11-17(23)19-15-4-5-18(24)21(15,3)9-7-16(19)20/h13-16,19H,4-11H2,1-3H3/t13-,14+,15+,16-,19-,20+,21+/m1/s1 | [
-0.58209228515625,
0.09009449183940887,
-1.2767317295074463,
-1.1360899209976196,
0.6281828284263611,
-0.6381067037582397,
-0.1160474494099617,
0.23034025728702545,
-0.45523685216903687,
0.21615517139434814,
0.7508062124252319,
-0.3324240744113922,
0.5002128481864929,
-0.22479607164859772,... | |
0000252b6d2b | InChI=1S/C24H23N5O4/c1-14-13-15(7-8-17(14)28-12-10-20(28)30)27-11-9-16-21(23(25)31)26-29(22(16)24(27)32)18-5-3-4-6-19(18)33-2/h3-8,13H,9-12H2,1-2H3,(H2,25,31) | [
-0.8010984659194946,
0.03251856192946434,
-0.9115490913391113,
-0.9425722360610962,
0.4574196934700012,
-0.6665376424789429,
0.08593253046274185,
0.40789708495140076,
-0.7593640685081482,
0.10342881828546524,
0.572485625743866,
-0.25183433294296265,
-0.34803465008735657,
-0.494699060916900... | |
000026b49b7e | InChI=1S/C17H24N2O4S/c1-12(20)18-13(14-7-6-10-24-14)11-15(21)19-17(16(22)23)8-4-2-3-5-9-17/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,18,20)(H,19,21)(H,22,23) | [
-0.3281443119049072,
0.34809550642967224,
-1.0804662704467773,
-1.0827662944793701,
0.9546625018119812,
-0.4695553183555603,
0.15432722866535187,
0.36857709288597107,
-0.9089094996452332,
0.06002181023359299,
0.8156024813652039,
-0.39178428053855896,
-0.032523639500141144,
0.02716992795467... | |
000026fc6c36 | InChI=1S/C10H19N3O2S/c1-15-10(14)12-8-4-6-13(7-8)5-2-3-9(11)16/h8H,2-7H2,1H3,(H2,11,16)(H,12,14) | [
-0.8821494579315186,
-0.285404771566391,
-0.7304285764694214,
-0.8306490182876587,
0.42377471923828125,
-0.3122774660587311,
-0.10627042502164841,
0.8128806948661804,
-0.7675418257713318,
-0.17547282576560974,
0.9251192808151245,
-0.8135911822319031,
0.4785230755805969,
0.12462286651134491... | |
000028818203 | InChI=1S/C19H22Br2N2O2/c1-13(2)10-16(19(24)25)23(9-8-14-6-4-3-5-7-14)15-11-17(20)22-18(21)12-15/h3-7,11-13,16H,8-10H2,1-2H3,(H,24,25) | [
-0.4793987572193146,
0.32315292954444885,
-0.9001493453979492,
-1.0164941549301147,
0.7360547184944153,
-0.4253080189228058,
-0.2335888296365738,
0.3026130497455597,
-0.8254628777503967,
0.3323298692703247,
0.7792972326278687,
-0.5267535448074341,
0.1553681492805481,
-0.06623293459415436,
... | |
000029a61c01 | InChI=1S/C17H10BrN3O/c18-14-7-3-1-5-11(14)9-12(10-19)16-20-15-8-4-2-6-13(15)17(22)21-16/h1-9,13H/b12-9+ | [
-0.5144047737121582,
0.40656688809394836,
-0.7408090233802795,
-0.9589834809303284,
0.7873008251190186,
-0.906815767288208,
0.1671687513589859,
0.15645183622837067,
-0.3897014558315277,
0.4814518690109253,
0.5076048374176025,
-0.5577448010444641,
-0.019957326352596283,
-0.3032773733139038,... | |
000035624718 | InChI=1S/C21H21N5O2S/c1-15-7-8-18(17-5-4-11-22-20(15)17)29(27,28)25-13-9-16(10-14-25)21-24-23-19-6-2-3-12-26(19)21/h2-8,11-12,16H,9-10,13-14H2,1H3 | [
-0.44260385632514954,
0.10400155186653137,
-1.3259518146514893,
-1.0257987976074219,
0.7312630414962769,
-0.5699073076248169,
-0.017583495005965233,
0.3942194879055023,
-0.23878008127212524,
-0.07360551506280899,
0.7177310585975647,
-0.08840636909008026,
0.24210777878761292,
-0.26509547233... | |
00003e900ef4 | InChI=1S/C13H18N2O5S/c1-4-10(13(17)18)15-12(16)9-5-7(2)8(3)11(6-9)21(14,19)20/h5-6,10H,4H2,1-3H3,(H,15,16)(H,17,18)(H2,14,19,20) | [
-0.9169391393661499,
-0.382748544216156,
-0.9293050169944763,
-0.7500579357147217,
0.4972441792488098,
-0.4901134967803955,
-0.11653696745634079,
0.5572010278701782,
-0.43831509351730347,
0.44499844312667847,
1.0421372652053833,
-0.5460631847381592,
0.4612196981906891,
-0.10251499712467194... | |
000045d5fbf9 | InChI=1S/C13H15BrN2O3/c1-7-5-15-6-9(7)12(17)16-11-3-2-8(13(18)19)4-10(11)14/h2-4,7,9,15H,5-6H2,1H3,(H,16,17)(H,18,19)/t7-,9-/m1/s1 | [
-0.6138570308685303,
0.1404266655445099,
-0.8433193564414978,
-0.6900304555892944,
0.6097912192344666,
-0.4162048399448395,
0.07104112952947617,
0.7178919911384583,
-0.38626769185066223,
0.4053846597671509,
0.6604641079902649,
-0.29292887449264526,
0.3134426176548004,
-0.2832701802253723,
... | |
00005d8b1ff0 | InChI=1S/C13H12BrF3N4OS/c14-8-4-9(23-6-8)12(22)18-5-11-20-19-10-3-7(13(15,16)17)1-2-21(10)11/h4,6-7H,1-3,5H2,(H,18,22)/t7-/m0/s1 | [
-0.365083783864975,
0.21207457780838013,
-0.8428974151611328,
-0.9025558829307556,
0.8685964941978455,
-0.5114738941192627,
0.31237557530403137,
0.4599488079547882,
-0.1843777596950531,
0.6055782437324524,
0.6614571213722229,
-0.3534580171108246,
0.16437384486198425,
-0.22846747934818268,
... | |
00005f2f2dd2 | InChI=1S/C15H15F2NS/c1-10(18-2)11-6-7-15(14(17)8-11)19-13-5-3-4-12(16)9-13/h3-10,18H,1-2H3 | [
-0.7325425148010254,
0.5244944095611572,
-0.8447932004928589,
-1.0163099765777588,
0.5337480902671814,
-0.5741511583328247,
-0.18849702179431915,
0.22606205940246582,
-0.655491054058075,
-0.018714673817157745,
0.7006776928901672,
-0.8828460574150085,
0.016767553985118866,
0.421998262405395... |
End of preview. Expand in Data Studio
README.md exists but content is empty.
- Downloads last month
- 5