| {"Question": "You are an expert in photocatalysis. For the following 3D structure, what is its reduction potential for Ir(IV)/Ir(III) conversion measured against SCE? Please answer in a single float number.\n83\n\nIr 6.22320 3.05720 9.97850\nC 5.26310 4.92310 9.34180\nC 7.87570 5.61990 10.26010\nC 8.97040 6.44720 10.40190\nC 10.23600 5.87920 10.55020\nC 10.35220 4.51010 10.52300\nC 9.20740 3.74450 10.40470\nC 7.19610 1.33050 10.48980\nC 7.44190 0.84280 11.76550\nC 8.15260 -0.33960 11.93270\nC 8.62160 -1.09430 10.86730\nC 8.38580 -0.59420 9.61300\nC 7.70110 0.60350 9.37980\nC 7.48170 1.21630 8.06470\nC 7.71340 0.60970 6.82740\nC 7.43380 1.30120 5.67240\nC 6.98300 2.60540 5.74760\nC 6.75770 3.16110 6.99740\nC 6.68970 3.38490 4.50690\nC 4.48140 2.15630 9.61960\nC 4.10340 1.48180 8.45040\nC 2.80890 1.05580 8.31360\nC 1.81910 1.28420 9.24070\nC 2.19980 1.90310 10.39380\nC 3.50180 2.33190 10.63490\nC 4.01390 2.87660 11.88110\nC 3.31820 2.93730 13.09880\nC 3.97190 3.31850 14.24200\nC 5.31210 3.65040 14.17140\nC 5.95260 3.63960 12.94520\nC 6.09060 3.93280 15.41960\nC 5.57120 6.67260 11.69530\nC 4.20920 6.57220 11.98900\nC 3.75130 6.97040 13.22670\nC 4.62700 7.47050 14.16870\nC 5.98080 7.58320 13.87970\nC 6.45570 7.18190 12.64660\nC 6.25500 7.75150 9.08380\nC 5.94670 8.98930 9.64920\nC 5.94790 10.13150 8.85580\nC 6.23660 10.02970 7.50760\nC 6.55510 8.80570 6.94300\nC 6.56880 7.65110 7.73140\nN 7.97750 4.27210 10.28790\nN 6.96330 2.47580 8.13240\nN 5.32650 3.26930 11.81420\nP 6.17630 6.23300 10.06250\nF 8.38930 -0.78800 13.17930\nF 8.84840 -1.31880 8.56700\nF 5.81100 2.72940 3.72200\nF 7.79330 3.56690 3.76390\nF 6.17010 4.58900 4.74820\nF 2.46830 0.37890 7.18750\nF 1.23900 2.08400 11.34110\nF 6.76200 2.85250 15.83860\nF 5.30330 4.30790 16.41730\nF 7.00900 4.88670 15.25530\nH 4.34820 4.98240 9.69390\nH 5.24500 5.00560 8.35720\nH 8.84940 7.37950 10.39220\nH 10.99310 6.44570 10.66970\nH 11.19880 4.10730 10.58430\nH 9.29010 2.79060 10.37870\nH 7.12240 1.32120 12.49900\nH 9.07630 -1.89390 10.98590\nH 8.03000 -0.27470 6.77810\nH 7.53530 0.89520 4.85180\nH 6.43740 4.05010 7.04590\nH 4.73250 1.30270 7.75590\nH 0.92960 1.03570 9.10220\nH 2.40710 2.70580 13.12760\nH 3.52500 3.34320 15.05970\nH 6.84380 3.89580 12.88510\nH 3.62580 6.24040 11.35440\nH 2.84450 6.87170 13.43600\nH 4.30390 7.72980 14.99960\nH 6.58780 7.91350 14.51070\nH 7.36330 7.25750 12.44280\nH 5.71490 9.06190 10.56680\nH 5.76660 10.95880 9.25540\nH 6.22080 10.78290 6.97020\nH 6.77500 8.75470 6.02930\nH 6.78740 6.81150 7.32710\n", "Answer": "-1.21", "Domain": "Chemistry", "Difficulty": "Hard", "Type": "Advanced Reasoning", "Task": "Redox Potential Prediction", "Reference": "https://pubs.acs.org/doi/10.1021/acssuschemeng.5c02075", "Explanation": "NA", "threshold": "0.25"} | |
| {"Question": "You are an expert in photocatalysis. For the following 3D structure, what is its reduction potential for Cr(III)/Cr(II) conversion measured against SCE? Please answer in a single float number.\n262\n\nCr 1.94490 9.63640 20.04480\nN 3.40830 11.42520 22.13590\nN -0.32570 11.70770 19.57070\nN 3.38160 11.32200 17.85710\nN 0.40530 7.81770 18.04220\nN 4.21240 7.59560 20.64840\nN 0.47740 7.69620 21.96750\nC 2.86970 10.63400 18.66610\nC 2.80840 10.74510 21.38020\nC 1.00230 8.52890 21.31090\nC 5.98520 6.95990 22.16380\nC -1.49100 5.60030 21.21740\nC 4.96220 6.60950 21.27490\nC 1.05070 8.51200 18.74300\nC 6.14340 10.66830 23.02290\nC 6.45730 8.35110 22.38650\nC 5.61420 9.40390 22.77300\nH 4.68060 9.25430 22.86480\nC 3.55220 13.46670 23.40490\nC 0.62150 6.80330 24.18780\nC 5.35680 11.82950 23.52050\nC 0.51510 10.91550 19.82980\nC 3.38670 8.37520 20.32530\nC -2.95230 5.34090 18.85570\nH -3.45880 5.26990 18.05500\nC 0.10190 6.73510 22.88730\nC 1.18030 14.27900 23.56580\nC -1.60460 5.73010 18.78540\nC 5.96880 12.63940 24.47650\nH 6.80040 12.35880 24.84010\nC -1.35530 13.31250 18.06560\nC -0.88830 5.85190 19.97720\nH 0.02550 6.11000 19.94710\nC -1.45970 12.29610 19.03340\nC 4.69980 5.25660 20.99440\nC -2.71920 11.86170 19.46920\nC 4.09860 12.22480 23.02560\nC 0.10970 7.28290 15.72900\nC 0.90540 8.43740 15.22420\nC 4.02980 12.04880 16.87570\nC 1.58180 7.85500 24.64730\nC -2.83390 5.19240 21.23760\nH -3.25390 5.00440 22.06880\nC -2.87290 10.83260 20.54240\nC -0.16860 7.01650 17.08110\nC 2.30720 14.01310 22.77860\nC 7.51240 10.87770 22.83000\nH 7.87520 11.74490 22.96660\nC 4.22830 14.23560 24.34810\nH 3.85360 15.06930 24.60700\nC 6.04080 10.48170 17.05660\nC -0.80280 5.71110 22.53090\nC 6.43910 10.54450 18.39890\nC 2.30180 14.37110 21.42440\nC 2.22860 13.89920 16.89380\nC -1.05380 5.97020 17.42340\nC 6.66510 5.94220 22.83220\nH 7.34530 6.18130 23.45050\nC 7.81940 8.58360 22.24640\nH 8.39660 7.86660 22.01150\nC 1.06490 13.23150 17.28540\nH 1.04760 12.28170 17.29340\nC -3.79400 13.33030 17.85330\nC -2.53460 13.79020 17.49480\nH -2.47280 14.46370 16.82770\nC 5.42270 4.28320 21.68840\nH 5.24390 3.36820 21.50640\nC 8.34510 9.84900 22.44570\nH 9.27320 10.00680 22.31830\nC -0.07480 13.94810 17.66610\nC 5.42150 13.83990 24.92560\nC 5.28740 11.61210 16.43010\nC 3.44700 13.22620 16.36380\nC -3.55450 5.06020 20.06320\nH -4.46090 4.77690 20.08930\nC -1.52880 5.15810 16.38590\nH -2.08710 4.42320 16.61070\nC 5.88610 12.30190 15.37150\nH 6.73640 12.01270 15.06180\nC 6.39330 4.59640 22.63480\nC 2.24460 15.30040 16.94950\nH 3.04630 15.76480 16.73950\nC -0.42590 6.45170 14.74770\nH -0.23070 6.63880 13.83710\nC -3.85950 12.38410 18.86580\nH -4.71180 12.08240 19.15740\nC -1.12470 4.77520 23.50880\nH -1.68860 4.05100 23.26380\nC 6.16560 14.64210 25.99510\nC 0.20410 5.86410 25.13020\nH 0.53290 5.93180 26.01880\nC 0.03900 15.23670 21.65190\nC 2.89350 7.48670 24.99440\nC 1.17350 14.98160 20.89110\nH 1.17770 15.23320 19.97510\nC -3.17470 9.51300 20.19820\nC -2.77230 11.19430 21.88760\nC 5.28850 13.39130 14.75510\nC 0.36560 9.72970 15.20740\nC 4.09670 13.84480 15.28440\nH 3.69600 14.61470 14.89810\nC 1.12470 16.01660 17.30190\nH 1.14990 16.96620 17.31180\nC 1.15070 9.16390 24.86330\nC 3.71760 4.81050 19.95450\nC -3.00580 10.23290 22.86600\nH -2.94860 10.48290 23.78080\nC -0.04000 15.34930 17.64210\nH -0.82070 15.84430 17.86070\nC 0.06780 14.88220 22.99040\nH -0.69410 15.05630 23.53060\nC 3.70760 8.43440 25.60620\nH 4.59370 8.18790 25.84480\nC -3.31920 8.92390 22.54640\nC -0.67310 4.83410 24.82040\nC -3.39180 8.58370 21.20910\nH -3.59560 7.68640 20.97320\nC 6.06770 11.68110 19.31310\nH 5.89030 12.48430 18.78010\nH 5.26520 11.44260 19.82180\nC -1.22750 5.36900 15.04250\nC 6.44610 9.38580 16.27610\nC 3.28080 9.71550 25.88060\nC 1.13180 13.94590 25.03030\nH 1.72650 13.18720 25.21220\nH 1.42450 14.72160 25.55210\nC -1.13180 3.78040 25.83080\nC 3.47780 14.13610 20.51600\nH 4.30830 14.20240 21.03270\nH 3.41110 13.24200 20.11960\nC 2.11660 8.17610 14.56230\nC -0.88080 10.06890 15.97460\nH -1.54330 9.35680 15.85310\nH -0.66530 10.15540 16.92660\nC 2.00630 10.06710 25.47760\nH 1.70740 10.95640 25.62580\nC 7.22400 9.52420 18.92440\nH 7.48990 9.57600 19.83490\nC 5.93590 14.08520 13.54580\nC -1.18910 15.86090 21.03390\nH -0.93010 16.66310 20.53310\nH -1.61130 15.21900 20.42650\nC 6.26410 13.80440 27.27990\nH 5.36360 13.59550 27.60410\nH 6.74460 12.97100 27.09050\nC -5.03760 13.79710 17.09580\nC -1.81860 4.44050 13.96740\nC 0.99690 10.70790 14.45120\nH 0.64160 11.58900 14.45210\nC 3.44080 6.10470 24.71360\nH 3.58780 6.00060 23.75010\nH 4.29090 5.98730 25.18770\nC 7.12100 3.50530 23.43450\nC 2.13010 10.44350 13.69390\nC 2.68230 9.17560 13.78520\nH 3.47510 8.98400 13.29880\nC 7.23560 8.39100 16.85980\nH 7.50960 7.65410 16.32730\nC 7.63070 8.43990 18.17700\nC 7.59010 14.95820 25.52870\nH 8.07030 14.12080 25.35530\nH 7.55470 15.48990 24.70660\nC 2.57190 4.12210 20.33140\nC -3.58520 7.90690 23.63080\nH -2.77750 7.37520 23.78580\nH -3.83610 8.36960 24.45790\nC -0.58090 2.41630 25.39420\nH -0.94730 2.18150 24.51630\nH 0.39680 2.46200 25.33840\nC -0.23020 9.60920 24.49330\nH -0.32240 9.60920 23.51760\nH -0.88660 8.99630 24.88400\nC 4.02110 4.97930 18.59870\nC -2.65850 3.71460 25.85550\nH -3.01780 4.58100 26.13910\nH -2.99020 3.50070 24.95880\nC 1.75240 3.58150 19.30880\nH 0.95270 3.12870 19.55040\nC -0.65650 4.09360 27.25060\nH 0.32290 4.10620 27.27170\nH -1.00070 4.96930 27.52460\nC -1.35330 4.80980 12.56500\nH -1.72510 4.17220 11.91950\nH -1.66180 5.71340 12.34580\nC -3.33730 4.56780 14.00610\nH -3.59330 5.48930 13.79480\nH -3.73240 3.95920 13.34700\nC -3.23690 9.08740 18.75160\nH -3.36070 8.11640 18.70160\nH -2.40210 9.33390 18.30200\nH -3.98970 9.53520 18.31130\nC -2.38140 12.58590 22.27680\nH -2.41650 12.67440 23.25210\nH -3.00210 13.22540 21.86840\nH -1.47120 12.76910 21.96430\nC 5.46160 15.95450 26.31320\nH 5.41060 16.50370 25.50270\nH 4.55550 15.76960 26.63890\nC 2.18780 3.96670 21.77070\nH 1.30630 3.54250 21.82930\nH 2.85040 3.40620 22.22700\nC 4.90030 14.61630 12.58330\nH 4.28640 15.21260 13.06080\nH 4.39720 13.86860 12.19910\nH 5.34620 15.11340 11.86580\nC 6.06090 9.24420 14.83240\nH 5.16770 9.62530 14.69400\nH 6.70860 9.72120 14.27270\nC 4.13500 10.69310 26.64350\nH 3.98760 10.57530 27.60500\nH 5.07980 10.53280 26.43610\nC 3.20550 4.39940 17.63970\nH 3.43480 4.49210 16.72240\nC 2.81070 6.84740 14.72660\nH 3.62990 6.83760 14.18760\nH 3.04010 6.71220 15.67000\nC 2.75110 11.49450 12.81910\nH 2.14250 11.70440 12.07950\nH 2.91390 12.30420 13.34690\nC 2.07920 3.69620 17.97510\nC -1.41900 2.99360 14.25300\nH -1.82840 2.40470 13.58510\nH -0.44450 2.90970 14.21020\nC 5.20830 5.77940 18.14770\nH 5.35880 5.62950 17.19120\nH 5.03880 6.73210 18.30600\nC 8.45600 7.32770 18.80190\nH 9.17410 7.71780 19.34300\nH 8.84560 6.77230 18.09430\nH 7.88170 6.77440 19.37180\nC -6.33470 13.36050 17.71190\nH -7.08190 13.70410 17.17880\nH -6.39690 13.71020 18.62520\nH -6.37290 12.38120 17.73410\nC 6.66940 15.32900 14.04820\nH 7.06730 15.80240 13.28820\nH 7.37550 15.06150 14.67280\nH 6.03500 15.91950 14.50550\nC -4.96080 13.18810 15.67010\nH -4.98130 12.20990 15.73100\nH -4.12790 13.47100 15.23840\nH -5.72500 13.49810 15.14070\nC -5.05190 15.31050 16.97620\nH -5.86910 15.59340 16.51480\nH -4.26950 15.60500 16.46630\nH -5.02820 15.70840 17.87160\nC 6.87590 13.19740 12.82340\nH 6.38530 12.43570 12.45040\nH 7.56100 12.87240 13.44440\nH 7.30440 13.69720 12.09720\nC 7.82090 2.56430 22.53540\nH 8.51600 3.04380 22.03830\nH 8.23140 1.85030 23.06580\nC 1.20830 3.05110 16.92020\nH 1.66070 2.25790 16.56270\nH 0.35300 2.78760 17.31780\nC 7.97850 4.04240 24.55190\nH 8.23360 3.30790 25.14860\nH 8.78460 4.45310 24.17600\nC 5.99560 2.65140 24.18430\nH 5.36160 2.29780 23.52590\nH 6.41580 1.90790 24.66510\n", "Answer": "-1.14", "Domain": "Chemistry", "Difficulty": "Hard", "Type": "Advanced Reasoning", "Task": "Redox Potential Prediction", "Reference": "https://www.nature.com/articles/s41929-024-01239-9", "Explanation": "NA", "threshold": "0.25"} | |
| {"Question": "You are an expert in photocatalysis. For the following 3D structure, what is its reduction potential for Cu(II)/Cu(I) conversion measured against SCE? Please answer in a single float number.\n160\n\nCu 7.32560 24.25370 14.11940\nCu 7.44850 21.12930 14.15530\nP 7.44540 25.63430 12.33070\nCl 5.63770 22.63990 13.73360\nP 7.09030 25.72750 15.81020\nP 6.77600 19.88340 15.91130\nCl 9.12380 22.75040 14.42560\nP 7.97100 19.55860 12.61780\nC 5.65480 20.61050 17.13990\nC 8.81640 29.07580 13.97760\nC 7.87720 28.05390 14.33830\nC 6.56710 28.00870 13.61440\nC 8.54540 30.03590 12.97850\nH 7.70380 30.02380 12.53820\nC 6.95360 24.96870 10.70820\nC 7.90380 17.31680 14.36220\nC 8.17870 27.14500 15.34910\nC 5.42950 26.42470 16.09980\nC 6.28750 27.02310 12.67560\nC 6.64450 25.74840 9.58320\nH 6.61380 26.69510 9.65590\nC 5.82180 30.04680 14.86060\nH 6.68140 30.12290 15.25810\nC 6.41570 17.46650 14.46200\nC 5.58220 29.00400 13.92680\nC 9.05190 26.41110 11.94500\nC 7.73330 25.32030 17.48510\nC 9.48050 27.19140 15.94090\nH 9.71950 26.54230 16.59210\nC 6.16650 15.34080 13.17040\nH 7.11050 15.23710 13.14440\nC 5.19940 27.64100 16.75600\nH 5.93870 28.15510 17.05820\nC 9.29090 19.96000 11.41470\nC 9.17680 27.51700 11.09150\nH 8.39760 27.91650 10.72310\nC 4.02000 27.87530 12.42910\nH 3.15860 27.80950 12.03370\nC 5.60480 16.47070 13.82230\nC 11.01510 30.13710 14.26380\nH 11.85070 30.18600 14.71320\nC 9.47350 30.98750 12.62930\nH 9.27340 31.60990 11.94020\nC 10.07460 17.84390 13.42550\nH 10.60300 18.36930 12.83590\nC 8.67400 18.09710 13.51120\nC 10.38140 28.14540 15.58970\nH 11.23190 28.15540 16.01270\nC 10.08950 29.11850 14.61790\nC 4.84840 30.94410 15.20320\nH 5.03430 31.62290 15.84110\nC 5.81460 18.51210 15.15970\nC 4.18380 16.61410 13.82430\nC 3.91320 28.10690 16.97220\nH 3.77160 28.93450 17.41640\nC 6.61200 18.86770 11.61020\nC 8.52360 16.27270 15.13060\nC 8.73560 24.35630 17.54830\nH 8.97790 23.87060 16.76860\nC 4.97430 26.95340 12.11290\nH 4.76300 26.25250 11.50750\nC 10.41740 28.02990 10.78140\nH 10.49040 28.78450 10.20890\nC 10.72270 31.04810 13.28660\nH 11.35480 31.71690 13.05170\nC 7.77780 15.44570 16.01630\nH 6.83980 15.57300 16.09710\nC 9.29440 19.54220 10.10220\nH 8.54910 19.06410 9.75790\nC 5.61280 21.99320 17.21690\nH 6.10410 22.51680 16.59460\nC 8.04510 19.14050 17.00560\nC 4.33110 25.68990 15.65130\nH 4.46250 24.86650 15.19620\nC 10.67800 16.86840 14.16630\nH 11.61560 16.73500 14.09110\nC 3.38580 15.62820 13.19360\nH 2.44050 15.72220 13.18710\nC 3.61270 17.74180 14.46490\nH 2.67080 17.86490 14.44500\nC 4.39270 18.64910 15.10690\nH 3.98320 19.39370 15.53140\nC 7.34660 25.98480 18.64010\nH 6.64180 26.62090 18.60830\nC 11.55980 27.44360 11.30590\nH 12.41520 27.80040 11.09760\nC 6.67430 17.62720 10.97660\nH 7.46190 17.10030 11.04500\nC 9.92860 16.05750 15.04000\nC 4.91200 19.86870 18.06310\nH 4.93180 18.91980 18.02320\nC 4.28910 28.92480 13.33380\nC 3.56900 30.86590 14.61340\nH 2.89350 31.48920 14.85340\nC 5.36800 14.39800 12.57830\nH 5.75970 13.64310 12.15460\nC 3.30570 29.88370 13.69110\nH 2.44820 29.84520 13.28390\nC 8.39110 14.46950 16.75330\nH 7.87760 13.93300 17.34530\nC 10.20170 25.82270 12.46140\nH 10.13300 25.07020 13.03720\nC 7.81600 18.03650 17.80780\nH 6.98710 17.57500 17.75710\nC 7.00560 23.57200 10.56740\nH 7.21030 23.02760 11.31880\nC 2.82800 27.35060 16.53230\nH 1.94210 27.65520 16.68940\nC 10.38460 20.70030 11.89850\nH 10.37430 21.03250 12.78850\nC 5.44980 19.62950 11.49890\nH 5.39760 20.47740 11.92420\nC 9.38270 24.10440 18.75560\nH 10.07710 23.45750 18.79360\nC 11.45330 26.33710 12.13390\nH 12.23790 25.92820 12.47950\nC 10.52720 15.02430 15.80770\nH 11.46190 14.86730 15.74000\nC 9.77120 14.25640 16.64060\nH 10.18380 13.56950 17.15050\nC 3.96010 14.54650 12.59660\nH 3.41140 13.88660 12.18920\nC 3.03830 26.16890 15.87360\nH 2.29380 25.66710 15.56330\nC 4.14930 20.49170 19.03240\nH 3.64810 19.97420 19.65150\nC 7.99290 25.71930 19.85080\nH 7.72690 26.17580 20.64040\nC 5.59530 17.16000 10.24930\nH 5.64700 16.31120 9.82540\nC 4.44790 17.90970 10.13220\nH 3.71600 17.58320 9.62180\nC 9.01920 24.79280 19.90120\nH 9.47350 24.62910 20.71940\nC 11.49260 20.49720 9.77530\nH 12.24960 20.64990 9.22210\nC 10.38760 19.81600 9.27060\nH 10.37560 19.53710 8.36250\nC 11.48860 20.94920 11.07390\nH 12.23490 21.43030 11.41160\nC 4.36110 19.15150 10.76510\nH 3.56690 19.66830 10.69690\nC 4.12000 21.87860 19.09630\nH 3.59430 22.31610 19.75580\nC 6.44050 23.75910 8.24900\nH 6.25780 23.34950 7.41160\nC 6.38430 25.13930 8.36880\nH 6.16560 25.67020 7.61200\nC 9.25880 19.82230 17.09370\nH 9.42370 20.57380 16.53610\nC 4.85810 22.61530 18.19630\nH 4.84900 23.56360 18.24870\nC 6.75850 22.98300 9.33180\nH 6.81050 22.03900 9.23860\nC 8.80250 17.60230 18.68950\nH 8.65630 16.83050 19.22360\nC 9.99750 18.29690 18.78750\nH 10.66150 18.00920 19.40300\nC 10.22830 19.40060 17.99950\nH 11.04840 19.87450 18.07330\n", "Answer": "-0.65", "Domain": "Chemistry", "Difficulty": "Hard", "Type": "Advanced Reasoning", "Task": "Redox Potential Prediction", "Reference": "https://www.nature.com/articles/s41929-025-01357-y", "Explanation": "NA", "threshold": "0.25"} | |
| {"Question": "You are an expert in photocatalysis. For the following 3D structure, what is its reduction potential for PC/PC•– conversion measured against SCE? Please answer in a single float number.\n93\n\nBr 7.03990 -0.19450 8.64750\nBr 10.03380 9.75200 7.24250\nBr 10.29790 -0.56320 1.31490\nBr 5.50700 -1.13330 1.38080\nBr 2.32860 8.27650 4.77560\nBr 11.29480 9.59310 3.27130\nBr 3.55610 -0.62220 5.78240\nBr 5.76880 9.43510 7.75110\nN 8.17930 4.72830 6.93450\nN 4.95320 3.84330 3.34250\nN 9.64920 4.61010 2.31620\nN 5.49910 4.34570 6.12360\nN 11.34230 4.62000 5.39810\nN 6.76370 4.12840 0.32950\nC 6.26430 4.11980 3.80060\nC 4.51900 2.58820 2.86640\nC 2.67260 3.83660 3.41000\nC 7.99750 3.73310 7.90910\nC 8.36460 4.24120 9.16450\nC 7.30150 4.22160 2.85720\nC 10.24510 4.68940 5.06130\nC 8.70230 5.87030 7.58040\nC 7.85310 4.61040 5.57340\nC 11.43480 3.95000 1.05650\nC 7.59340 2.41500 7.72040\nH 7.35060 2.08270 6.86350\nC 9.48590 8.06100 7.91670\nC 8.87700 4.65120 4.62140\nC 7.56260 1.61440 8.84640\nC 6.99920 4.15970 1.45400\nC 6.53140 4.34650 5.16350\nC 9.05490 7.09220 7.02520\nH 9.00350 7.25510 6.09090\nC 5.65140 6.75010 6.84710\nH 6.45500 6.94340 6.37970\nC 3.11430 2.56050 2.90820\nC 8.79660 5.60580 8.95530\nC 8.30710 3.40470 10.28090\nH 8.54400 3.73400 11.14060\nC 3.81930 4.61160 3.65600\nC 10.49760 5.71710 2.17180\nC 11.58730 5.35600 1.36420\nC 9.57890 7.84920 9.28940\nH 9.88020 8.54500 9.86200\nC 4.61260 2.00270 5.92510\nH 5.33470 1.66260 5.41020\nC 9.85220 2.19580 1.72770\nH 9.04980 1.92780 2.16150\nC 4.55540 3.32580 6.33300\nC 12.46140 7.58460 1.63260\nH 13.12470 8.23980 1.45700\nC 3.76550 5.93240 4.06240\nH 4.55080 6.45020 4.19430\nC 8.60500 4.50480 3.26340\nC 2.49340 6.45400 4.26660\nC 10.34830 6.98580 2.72190\nH 9.59560 7.21980 3.25240\nC 5.27740 1.50580 2.43620\nH 6.22690 1.52760 2.42460\nC 3.85180 5.20040 7.45550\nC 7.90070 2.08290 10.12340\nH 7.85210 1.50270 10.87380\nC 5.06960 5.49940 6.81240\nC 1.32910 5.70600 4.08890\nH 0.48030 6.09140 4.26970\nC 12.56690 6.32050 1.08540\nH 13.29960 6.10520 0.52240\nC 9.22640 6.61580 9.81420\nH 9.27810 6.46010 10.75060\nC 1.42030 4.40030 3.64920\nH 0.63270 3.88870 3.50990\nC 3.54530 1.20530 6.31830\nC 10.25270 3.51390 1.68180\nC 3.17420 0.32630 2.04530\nH 2.72680 -0.45900 1.75310\nC 4.55870 0.38620 2.02120\nC 3.23480 6.19830 8.21410\nH 2.42320 6.01410 8.67180\nC 2.48610 1.67250 7.08590\nH 1.77420 1.08830 7.31970\nC 11.36420 7.88930 2.45000\nC 2.46940 2.98350 7.50740\nH 1.75070 3.30600 8.03900\nC 10.69150 1.28570 1.10300\nC 4.99430 7.71070 7.60580\nC 12.20670 3.00730 0.38470\nH 12.98490 3.27980 -0.08650\nC 2.44390 1.41060 2.49520\nH 1.49490 1.37270 2.52210\nC 11.84120 1.67950 0.40420\nH 12.36590 1.03340 -0.05330\nC 3.80320 7.45150 8.29820\nH 3.39230 8.13160 8.81900\n", "Answer": "-1.33", "Domain": "Chemistry", "Difficulty": "Hard", "Type": "Advanced Reasoning", "Task": "Redox Potential Prediction", "Reference": "https://pubs.acs.org/doi/10.1021/acssuschemeng.5c02075", "Explanation": "NA", "threshold": "0.25"} | |
| {"Question": "You are an expert in photocatalysis. For the following 3D structure, what is its reduction potential for Fe(III)/Fe(II) conversion measured against SCE? Please answer in a single float number.\n87\n\nFe 18.89430 3.53540 11.96900\nN 16.71930 2.98200 13.76940\nN 17.86780 4.13310 9.34850\nN 20.41810 5.85910 12.70450\nN 16.46190 5.05760 13.26260\nN 20.59170 4.52660 14.39760\nN 20.54170 1.18380 12.05760\nC 17.19430 0.62010 14.49340\nH 16.40510 0.55110 15.01660\nC 17.47680 1.76670 13.79510\nC 18.10890 -0.45770 14.41160\nC 19.54060 7.48830 9.43730\nC 17.81870 -1.71930 15.22900\nC 16.51060 -2.07780 15.53030\nH 15.79070 -1.52340 15.25250\nC 16.25550 -3.24810 16.23320\nH 15.36060 -3.49370 16.43920\nC 17.30780 -4.05980 16.63960\nH 17.13400 -4.85980 17.12090\nC 18.61750 -3.70130 16.33830\nH 19.33750 -4.25550 16.61590\nC 18.87290 -2.52990 15.63540\nH 19.76760 -2.28510 15.42920\nC 18.58940 5.31910 9.68480\nC 18.76250 6.43980 8.90010\nH 18.37600 6.50350 8.03420\nC 19.92200 6.19620 11.41770\nC 20.13790 7.35640 10.71000\nH 20.67420 8.05220 11.06980\nC 19.15870 5.15680 10.94360\nC 17.25800 3.98650 13.00100\nN 21.59220 2.47800 10.71700\nN 17.28600 2.09470 9.67780\nC 17.91600 3.11170 10.29670\nC 15.62570 3.42390 14.50500\nH 15.10370 2.91760 15.11560\nC 18.56880 1.91430 12.98240\nC 19.24550 -0.35630 13.60360\nH 19.85970 -1.07760 13.52980\nC 20.01970 4.60320 13.18090\nC 19.45140 0.82980 12.91460\nC 20.44070 2.40480 11.46900\nC 21.32470 5.67650 14.68720\nH 21.79930 5.85180 15.49120\nC 19.85860 8.72390 8.59650\nC 21.06290 9.40030 8.75530\nH 21.69360 9.10160 9.40050\nC 21.34400 10.51200 7.97060\nH 22.16730 10.97390 8.07920\nC 20.42040 10.94830 7.02720\nH 20.61330 11.70880 6.49160\nC 19.21780 10.27300 6.87070\nH 18.58580 10.57150 6.22510\nC 18.93500 9.16130 7.65540\nH 18.11210 8.69920 7.54640\nC 15.46310 4.70470 14.17570\nH 14.78320 5.28090 14.50350\nC 21.23820 6.49500 13.61990\nH 21.65570 7.34160 13.51540\nC 17.22560 3.73850 8.21120\nH 17.07090 4.25730 7.43000\nC 21.68890 0.47240 11.69790\nH 21.95090 -0.39570 11.98120\nC 20.40550 3.42170 15.34810\nH 21.24440 3.28480 15.85250\nC 15.59170 7.31460 12.76520\nH 15.85320 8.17840 12.38250\nH 14.72110 7.04750 12.40720\nC 16.85710 2.47690 8.42140\nH 16.37900 1.92930 7.80880\nC 21.89490 3.56600 9.77590\nH 22.87490 3.68330 9.71180\nC 19.29870 3.66520 16.30560\nH 18.46520 3.81630 15.81110\nH 19.19450 2.88630 16.89010\nC 22.33170 1.30440 10.85480\nH 23.15950 1.12010 10.42380\nC 21.33470 3.26160 8.41670\nH 21.57810 3.97970 7.79630\nH 21.70510 2.41260 8.09490\nC 16.60600 6.29320 12.41490\nH 17.51100 6.67360 12.53990\nC 17.30630 0.70690 10.20790\nH 17.95570 0.62400 10.95080\nC 15.90210 0.46220 10.69140\nH 15.29450 0.42810 9.92410\nH 15.86890 -0.39360 11.17140\n", "Answer": "-0.57", "Domain": "Chemistry", "Difficulty": "Hard", "Type": "Advanced Reasoning", "Task": "Redox Potential Prediction", "Reference": "https://pubs.acs.org/doi/10.1021/jacs.4c00605", "Explanation": "NA", "threshold": "0.25"} | |
| {"Question": "You are an expert in photocatalysis. For the following 3D structure, what is its reduction potential for Cr(III)/Cr(II) conversion measured against SCE? Please answer in a single float number.\n38\n\nO 4.48490 0.82220 11.26350\nO 4.96230 4.77700 13.47940\nO 3.62240 3.41140 14.63510\nC 5.77720 0.78590 13.35300\nC 5.27580 3.01850 11.23210\nH 5.27750 3.94990 10.89550\nC 4.52220 1.24760 12.65590\nH 3.72280 0.88630 13.13570\nC 4.35370 2.76470 12.44900\nC 4.27150 3.65610 13.65250\nC 4.26290 2.08590 10.55590\nC 4.14970 1.89300 9.07740\nH 2.41410 2.15660 11.67220\nH 2.86780 3.63650 11.12010\nC 4.92000 2.36730 6.84290\nH 5.54990 2.77880 6.26290\nC 5.89440 0.95800 14.73160\nH 5.18870 1.37270 15.21420\nC 6.80790 0.15470 12.67810\nH 6.74710 0.02710 11.73880\nC 3.86700 1.64510 6.31660\nH 3.76670 1.56530 5.37550\nC 5.05980 2.49290 8.22290\nH 5.78390 2.99320 8.58020\nC 7.02550 0.53410 15.40590\nH 7.10210 0.68150 16.34120\nC 3.09320 1.16480 8.53940\nH 2.46060 0.75290 9.11580\nC 2.95990 1.03920 7.16500\nH 2.24090 0.53420 6.80450\nC 8.04170 -0.10260 14.72640\nH 8.81210 -0.40600 15.19210\nC 7.93140 -0.29570 13.36350\nH 8.62690 -0.73800 12.89140\nC 4.89920 5.73880 14.57260\nH 5.47720 6.50350 14.36870\nH 5.20130 5.31230 15.40120\nH 3.97540 6.04810 14.68230\n", "Answer": "-1.14", "Domain": "Chemistry", "Difficulty": "Hard", "Type": "Advanced Reasoning", "Task": "Redox Potential Prediction", "Reference": "https://www.nature.com/articles/s41929-024-01239-9", "Explanation": "NA", "threshold": "0.25"} | |
| {"Question": "You are an expert in photocatalysis. For the following 3D structure, what is its reduction potential for PC/PC•– conversion measured against SCE? Please answer in a single float number.\n97\n\nCu 13.74070 7.49650 2.96710\nP 11.83910 6.78620 1.99340\nP 14.99930 9.25940 2.43490\nO 14.79370 5.62590 3.60190\nO 13.71870 6.84370 5.05530\nO 21.78120 7.11180 8.69370\nC 11.11660 5.26120 2.69700\nC 11.06610 5.15130 4.06630\nH 11.43440 5.83410 4.61400\nC 10.47010 4.03180 4.64530\nH 10.43120 3.96090 5.59180\nC 9.94210 3.03650 3.87880\nH 9.52490 2.28730 4.28690\nC 10.01890 3.12460 2.52430\nH 9.66910 2.42310 1.98810\nC 10.60540 4.23720 1.91110\nH 10.65270 4.29090 0.96410\nC 12.10960 6.36680 0.24560\nC 13.26840 5.67510 -0.08190\nH 13.85440 5.38190 0.60610\nC 13.57090 5.41210 -1.39020\nH 14.36050 4.92730 -1.59860\nC 12.74470 5.84130 -2.41270\nH 12.97830 5.67810 -3.31940\nC 11.58400 6.50480 -2.10310\nH 10.99640 6.77910 -2.79700\nC 11.26970 6.77510 -0.79030\nH 10.46910 7.24540 -0.58790\nC 10.41750 7.93120 1.96910\nC 9.10640 7.48850 1.87840\nH 8.92550 6.55750 1.81500\nC 8.05970 8.39360 1.87690\nH 7.16620 8.07880 1.80560\nC 8.29860 9.73900 1.97810\nH 7.57670 10.35720 1.97520\nC 9.59180 10.18550 2.08520\nH 9.76740 11.11590 2.15910\nC 10.64010 9.28270 2.08380\nH 11.53160 9.60360 2.16420\nC 13.99940 10.78040 2.47970\nC 13.47870 11.16820 3.70160\nH 13.75670 10.71280 4.48780\nC 12.57240 12.19250 3.81030\nH 12.21630 12.43270 4.65760\nC 12.18150 12.87070 2.66870\nH 11.55380 13.58120 2.72720\nC 12.69760 12.51790 1.46460\nH 12.42920 12.99010 0.68500\nC 13.60840 11.48120 1.35000\nH 13.96510 11.25220 0.50000\nC 15.75590 9.23610 0.77690\nC 15.05660 8.65370 -0.27090\nH 14.17750 8.32450 -0.12050\nC 15.61890 8.54420 -1.53300\nH 15.12410 8.14930 -2.24200\nC 16.88530 9.00360 -1.75930\nH 17.27860 8.92130 -2.61950\nC 17.58020 9.58060 -0.74120\nH 18.46060 9.90140 -0.89830\nC 17.03050 9.70900 0.51050\nH 17.52930 10.12720 1.20180\nC 16.39170 9.64390 3.54680\nC 16.91190 10.91620 3.68380\nH 16.51850 11.64090 3.21140\nC 17.99610 11.14160 4.49790\nH 18.34480 12.02110 4.58930\nC 18.57670 10.10660 5.17960\nH 19.33090 10.26570 5.73550\nC 18.07250 8.84890 5.06050\nH 18.47930 8.12970 5.52870\nC 16.97200 8.61090 4.26130\nH 16.61080 7.73320 4.20090\nC 14.37790 5.83940 4.76140\nC 14.75410 4.83550 5.86730\nH 15.08420 4.03450 5.36710\nC 16.00050 5.36710 6.58170\nC 15.87980 6.51080 7.38390\nH 15.02130 6.89310 7.52170\nC 16.96060 7.08480 7.96740\nH 16.84530 7.86030 8.50420\nC 18.25460 6.54820 7.79170\nC 18.37590 5.35740 7.03710\nC 17.22550 4.81310 6.43280\nH 17.31300 4.03040 5.90190\nC 19.38990 7.15580 8.36780\nH 19.29650 7.96280 8.85910\nC 20.60770 6.59330 8.22040\nC 20.73310 5.39190 7.50150\nH 21.59160 4.99550 7.41250\nC 19.66450 4.78200 6.92850\nH 19.78230 3.96810 6.45340\nC 21.71320 8.36250 9.38280\nH 21.37680 9.05310 8.77420\nH 21.10830 8.28120 10.15000\nC 13.71370 4.33670 6.65910\nH 13.33070 5.06630 7.19110\nH 13.02010 3.95320 6.08410\n", "Answer": "-1.56", "Domain": "Chemistry", "Difficulty": "Hard", "Type": "Advanced Reasoning", "Task": "Redox Potential Prediction", "Reference": "https://www.nature.com/articles/s41467-020-19944-x", "Explanation": "NA", "threshold": "0.25"} | |
| {"Question": "You are an expert in photocatalysis. For the following 3D structure, what is its reduction potential for V(III)/V(II) conversion measured against SCE? Please answer in a single float number.\n69\n\nV 1.19240 4.29440 6.34950\nN 2.77100 5.46180 7.08790\nN 1.12930 3.45960 8.29320\nN -0.04200 5.80070 7.14850\nC 3.85920 5.66600 6.32340\nH 3.91840 5.21350 5.49030\nC 4.89290 6.50100 6.69250\nH 5.65100 6.62150 6.13260\nC 4.78850 7.15570 7.90290\nH 5.47590 7.74820 8.18370\nC 3.68030 6.94820 8.70840\nH 3.60740 7.39330 9.54450\nC 2.67380 6.08320 8.28560\nC 1.42960 5.77270 9.14140\nC 1.54340 6.48940 10.48880\nH 1.57410 7.45790 10.34210\nH 0.76650 6.26750 11.04350\nC 1.33470 4.24470 9.37350\nC 1.45750 3.68060 10.64120\nH 1.63710 4.23380 11.39220\nC 1.31730 2.31060 10.80610\nH 1.39620 1.92150 11.66910\nC 1.06230 1.51720 9.70570\nH 0.94150 0.57930 9.79610\nC 0.98810 2.12760 8.47110\nH 0.83000 1.58450 7.70790\nC 0.16560 6.26760 8.40250\nC -0.72030 7.18010 8.96280\nH -0.59760 7.47660 9.85690\nC -1.78560 7.65630 8.21030\nH -2.38880 8.28740 8.58490\nC -1.96660 7.20950 6.91310\nH -2.67340 7.54210 6.37220\nC -1.08780 6.26790 6.43560\nH -1.22320 5.92860 5.55870\nN -0.38630 3.12700 5.61100\nN 1.25550 5.12920 4.40580\nN 2.42670 2.78810 5.55050\nC -1.47450 2.92280 6.37550\nH -1.53370 3.37530 7.20870\nC -2.50820 2.08780 6.00650\nH -3.26630 1.96730 6.56630\nC -2.40380 1.43310 4.79600\nH -3.09120 0.84050 4.51530\nC -1.29560 1.64050 3.99050\nH -1.22270 1.19540 3.15440\nC -0.28910 2.50560 4.41340\nC 0.95510 2.81600 3.55760\nC 0.84130 2.09940 2.21010\nH 0.81060 1.13090 2.35690\nH 1.61820 2.32120 1.65550\nC 1.05000 4.34400 3.32550\nC 0.92720 4.90810 2.05770\nH 0.74770 4.35500 1.30670\nC 1.06740 6.27820 1.89290\nH 0.98850 6.66730 1.02990\nC 1.32240 7.07150 2.99330\nH 1.44320 8.00950 2.90290\nC 1.39660 6.46120 4.22790\nH 1.55470 7.00430 4.99110\nC 2.21910 2.32120 4.29640\nC 3.10500 1.40870 3.73620\nH 2.98230 1.11220 2.84200\nC 4.17030 0.93240 4.48870\nH 4.77350 0.30130 4.11410\nC 4.35130 1.37920 5.78590\nH 5.05810 1.04670 6.32670\nC 3.47250 2.32080 6.26340\nH 3.60790 2.66020 7.14020\n", "Answer": "-0.93", "Domain": "Chemistry", "Difficulty": "Hard", "Type": "Advanced Reasoning", "Task": "Redox Potential Prediction", "Reference": "https://pubs.acs.org/doi/10.1021/jacs.5c04471", "Explanation": "NA", "threshold": "0.25"} | |