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{"sheet":"SI Table 5","index":0,"n_rows":4413,"n_cols":5,"rows_kept":4413,"cut":false,"hidden":false,"merged":[]}
["casrn","harmonized_function","probability","bioactivity_index","prediction_classification"]
["5138-18-1","additive",0.868,0,"poor prediction"]
["32449-92-6","additive",0.9234,0.0357142857143,"poor prediction"]
["69-65-8","additive",0.9802,0.0208333333333,"functional substitute"]
["50-70-4","additive",0.9802,0,"true positive"]
["608-66-2","additive",0.9802,0,"candidate alternative"]
["87-89-8","additive",0.953,0,"candidate alternative"]
["147-81-9","additive",0.9159,0,"poor prediction"]
["312-84-5","additive",0.8348,0,"poor prediction"]
["72-19-5","additive",0.849,0,"poor prediction"]
["924-49-2","additive",0.8677,0.0833333333333,"poor prediction"]
["6284-40-8","additive",0.9385,0.03125,"functional substitute"]
["7512-17-6","additive",0.8936,0,"poor prediction"]
["131-48-6","additive",0.886,0,"poor prediction"]
["33996-33-7","additive",0.8679,0.1875,"poor prediction"]
["31282-04-9","additive",0.8366,0.0416666666667,"poor prediction"]
["56180-94-0","additive",0.9011,0.125,"functional substitute"]
["372-09-8","additive",0.8436,0,"poor prediction"]
["625-45-6","additive",0.8048,0,"candidate alternative"]
["144-62-7","additive",0.8379,0.03125,"functional substitute"]
["110-99-6","additive",0.8279,0,"candidate alternative"]
["90-80-2","additive",0.9732,0,"true positive"]
["58-86-6","additive",0.9199,0,"candidate alternative"]
["1114-34-7","additive",0.9199,0,"candidate alternative"]
["87-79-6","additive",0.9471,0,"candidate alternative"]
["1562-00-1","additive",0.8045,0.0625,"poor prediction"]
["870-72-4","additive",0.8585,0,"candidate alternative"]
["56-40-6","additive",0.8252,0,"poor prediction"]
["338-69-2","additive",0.8121,0,"poor prediction"]
["1783-96-6","additive",0.8027,0,"poor prediction"]
["63-42-3","additive",0.9381,0,"candidate alternative"]
["585-86-4","additive",0.9415,0.1875,"functional substitute"]
["97-30-3","additive",0.9891,0,"true positive"]
["50-99-7","additive",0.9842,0,"true positive"]
["141-82-2","additive",0.8565,0,"candidate alternative"]
["59-23-4","additive",0.9819,0,"candidate alternative"]
["4618-18-2","additive",0.9539,0,"candidate alternative"]
["96-82-2","additive",0.9341,0,"candidate alternative"]
["1772-03-8","additive",0.942,0,"candidate alternative"]
["66-84-2","additive",0.942,0.0625,"functional substitute"]
["19408-46-9","additive",0.8818,0,"poor prediction"]
["134-03-2","additive",0.9162,0,"candidate alternative"]
["6381-77-7","additive",0.9126,0,"candidate alternative"]
["89-65-6","additive",0.9418,0,"candidate alternative"]
["50-81-7","additive",0.9418,0.0333333333333,"true positive"]
["57-50-1","additive",0.9591,0.0227272727273,"true positive"]
["21732-17-2","additive",0.829,0,"poor prediction"]
["1811-31-0","additive",0.8921,0,"poor prediction"]
["110-17-8","additive",0.8624,0.0625,"true positive"]
["124-64-1","additive",0.8313,0,"poor prediction"]
["87-99-0","additive",0.8737,0,"candidate alternative"]
["149-32-6","additive",0.8912,0,"poor prediction"]
["56-81-5","additive",0.8444,0,"poor prediction"]
["115-77-5","additive",0.8403,0.0625,"poor prediction"]
["110-16-7","additive",0.8624,0.0208333333333,"functional substitute"]
["62-74-8","additive",0.9526,0,"poor prediction"]
["7446-81-3","additive",0.8829,0,"poor prediction"]
["328-42-7","additive",0.8374,0,"poor prediction"]
["113-24-6","additive",0.9029,0,"poor prediction"]
["137-40-6","additive",0.8702,0,"true positive"]
["1703-58-8","additive",0.8384,0,"candidate alternative"]
["4767-03-7","additive",0.8702,0,"poor prediction"]
["127-09-3","additive",0.9734,0,"true positive"]
["5536-61-8","additive",0.8601,0,"poor prediction"]
["107-43-7","additive",0.8635,0,"poor prediction"]
["488-82-4","additive",0.8737,0,"candidate alternative"]
["526-99-8","additive",0.9657,0,"candidate alternative"]
["4408-78-0","additive",0.89,0,"poor prediction"]
["50-21-5","additive",0.9214,0.0208333333333,"functional substitute"]
["10326-41-7","additive",0.9214,0.0625,"functional substitute"]
["79-14-1","additive",0.8981,0,"candidate alternative"]
["133-37-9","additive",0.929,0,"candidate alternative"]
["590-47-6","additive",0.8551,0,"poor prediction"]
["6915-15-7","additive",0.9549,0,"true positive"]
["77-92-9","additive",0.9663,0.0227272727273,"functional substitute"]
["87-69-4","additive",0.929,0,"candidate alternative"]
["526-95-4","additive",0.9891,0,"true positive"]
["31138-65-5","additive",0.9497,0,"candidate alternative"]
["527-07-1","additive",0.9512,0,"candidate alternative"]
["7492-31-1","additive",0.9657,0,"candidate alternative"]
["461-05-2","additive",0.8829,0,"poor prediction"]
["541-05-9","adhesion promoter",0.8151,0,"candidate alternative"]
["107-46-0","adhesion promoter",0.802,0.0227272727273,"functional substitute"]
["84962-98-1","adhesion promoter",0.8933,0,"poor prediction"]
["1760-24-3","adhesion promoter",0.96,0,"candidate alternative"]
["82985-35-1","adhesion promoter",0.9833,0,"true positive"]
["919-30-2","adhesion promoter",0.9732,0,"candidate alternative"]
["2469-55-8","adhesion promoter",0.8969,0.0625,"functional substitute"]
["1185-55-3","adhesion promoter",0.8925,0,"candidate alternative"]
["1067-25-0","adhesion promoter",0.8506,0,"candidate alternative"]
["15332-99-7","adhesion promoter",0.9479,0,"candidate alternative"]
["78-08-0","adhesion promoter",0.9527,0,"candidate alternative"]
["4130-08-9","adhesion promoter",0.9304,0,"candidate alternative"]
["2627-95-4","adhesion promoter",0.8694,0,"candidate alternative"]
["2768-02-7","adhesion promoter",0.9585,0,"candidate alternative"]
["1873-88-7","adhesion promoter",0.8027,0,"candidate alternative"]
["1067-53-4","adhesion promoter",0.9536,0,"candidate alternative"]
["1112-39-6","adhesion promoter",0.8582,0,"candidate alternative"]
["107-51-7","adhesion promoter",0.8066,0,"candidate alternative"]
["919-31-3","adhesion promoter",0.9636,0,"candidate alternative"]
["541-02-6","adhesion promoter",0.813,0,"candidate alternative"]
["2530-85-0","adhesion promoter",0.845,0,"candidate alternative"]
["2897-60-1","adhesion promoter",0.9539,0,"poor prediction"]
["2530-83-8","adhesion promoter",0.9594,0.03125,"poor prediction"]
["4253-34-3","adhesion promoter",0.9017,0,"candidate alternative"]
["17689-77-9","adhesion promoter",0.9054,0,"candidate alternative"]
["2530-87-2","adhesion promoter",0.9428,0,"candidate alternative"]
["5089-70-3","adhesion promoter",0.9588,0,"candidate alternative"]
["2554-06-5","adhesion promoter",0.8602,0,"candidate alternative"]
["2996-92-1","adhesion promoter",0.9162,0,"true positive"]
["780-69-8","adhesion promoter",0.9101,0,"candidate alternative"]
["4420-74-0","adhesion promoter",0.9287,0,"candidate alternative"]
["14814-09-6","adhesion promoter",0.9769,0,"true positive"]
["17980-47-1","adhesion promoter",0.8751,0.0625,"poor prediction"]
["2761-24-2","adhesion promoter",0.819,0,"candidate alternative"]
["556-67-2","adhesion promoter",0.8038,0,"candidate alternative"]
["1000-05-1","adhesion promoter",0.8056,0,"candidate alternative"]
["3027-21-2","adhesion promoter",0.8738,0,"candidate alternative"]
["2031-67-6","adhesion promoter",0.9111,0,"candidate alternative"]
["23779-32-0","adhesion promoter",0.9496,0,"candidate alternative"]
["23432-62-4","adhesion promoter",0.9689,0,"true positive"]
["17945-05-0","adhesion promoter",0.9528,0,"candidate alternative"]
["3068-76-6","adhesion promoter",0.9421,0,"candidate alternative"]
["78-07-9","adhesion promoter",0.9057,0,"candidate alternative"]
["40372-72-3","adhesion promoter",0.8743,0,"candidate alternative"]
["26115-70-8","adhesion promoter",0.8322,0,"candidate alternative"]
["114369-43-6","antimicrobial",0.9025,0.3125,"candidate alternative"]
["88671-89-0","antimicrobial",0.8649,0,"candidate alternative"]
["66246-88-6","antimicrobial",0.8084,0.25,"candidate alternative"]
["97886-45-8","antimicrobial",0.8138,0,"candidate alternative"]
["79241-46-6","antimicrobial",0.8602,0.0625,"true positive"]
["69806-50-4","antimicrobial",0.8602,0,"candidate alternative"]
["6425-39-4","antimicrobial",0.8154,0,"candidate alternative"]
["7779-27-3","antimicrobial",0.8402,0,"true positive"]
["55-86-7","antimicrobial",0.8164,0.21875,"candidate alternative"]
["869-24-9","antimicrobial",0.8147,0,"candidate alternative"]
["4261-68-1","antimicrobial",0.8047,0.0833333333333,"candidate alternative"]
["5407-04-5","antimicrobial",0.805,0.0625,"candidate alternative"]
["2675-77-6","antimicrobial",0.8215,0,"true positive"]
["5051-62-7","antimicrobial",0.8827,0,"poor prediction"]
["637-32-1","antimicrobial",0.8515,0,"poor prediction"]
["1918-13-4","antimicrobial",0.8352,0,"poor prediction"]
["555-60-2","antimicrobial",0.8628,0.375,"poor prediction"]
["2898-13-7","antimicrobial",0.8248,0.0625,"poor prediction"]
["2818-69-1","antimicrobial",0.8079,0.0625,"poor prediction"]
["210880-92-5","antimicrobial",0.9043,0,"candidate alternative"]
["1192-52-5","antimicrobial",0.8047,0.25,"true positive"]
["69806-34-4","antimicrobial",0.896,0.1875,"candidate alternative"]
["52214-84-3","antimicrobial",0.8268,0.0625,"poor prediction"]
["2425-06-1","antimicrobial",0.8499,0.5,"functional substitute"]
["299-86-5","antimicrobial",0.8569,0.125,"poor prediction"]
["133-06-2","antimicrobial",0.9428,0.295454545455,"true positive"]
["1154-59-2","antimicrobial",0.8715,0.4375,"functional substitute"]
["79983-71-4","antimicrobial",0.933,0.3125,"candidate alternative"]
["60207-93-4","antimicrobial",0.8948,0.125,"poor prediction"]
["60207-90-1","antimicrobial",0.8515,0.28125,"candidate alternative"]
["41198-08-7","antimicrobial",0.8415,0.125,"poor prediction"]
["3778-73-2","antimicrobial",0.827,0.0208333333333,"poor prediction"]
["35691-65-7","antimicrobial",0.8612,0.3125,"true positive"]
["53251-94-8","antimicrobial",0.8398,0.166666666667,"poor prediction"]
["94361-06-5","antimicrobial",0.9551,0.0625,"true positive"]
["125225-28-7","antimicrobial",0.8836,0.5,"functional substitute"]
["131983-72-7","antimicrobial",0.8537,0.125,"candidate alternative"]
["125116-23-6","antimicrobial",0.8262,0.375,"functional substitute"]
["38083-17-9","antimicrobial",0.8888,0.0625,"true positive"]
["43121-43-3","antimicrobial",0.8466,0.0625,"candidate alternative"]
["63284-71-9","antimicrobial",0.8577,0.125,"poor prediction"]
["60168-88-9","antimicrobial",0.8726,0.25,"poor prediction"]
["17781-31-6","antimicrobial",0.8787,0.1875,"poor prediction"]
["86386-73-4","antimicrobial",0.9012,0,"candidate alternative"]
["76674-21-0","antimicrobial",0.914,0,"candidate alternative"]
["80-06-8","antimicrobial",0.905,0.25,"candidate alternative"]
["2642-82-2","antimicrobial",0.8526,0.375,"functional substitute"]
["55219-65-3","antimicrobial",0.9248,0,"candidate alternative"]
["76738-62-0","antimicrobial",0.919,0,"candidate alternative"]
["1777-82-8","antimicrobial",0.8477,0,"true positive"]
["19666-30-9","antimicrobial",0.8576,0.25,"poor prediction"]
["94-20-2","antimicrobial",0.8344,0,"poor prediction"]
["67747-09-5","antimicrobial",0.9079,0.28125,"poor prediction"]
["107534-96-3","antimicrobial",0.9315,0.09375,"true positive"]
["52645-53-1","antimicrobial",0.8419,0.0227272727273,"true positive"]
["15619-48-4","antimicrobial",0.8262,0.3125,"candidate alternative"]
["54-11-5","antimicrobial",0.8149,0.03125,"true positive"]
["27314-13-2","antimicrobial",0.8865,0.09375,"candidate alternative"]
["2164-17-2","antimicrobial",0.8768,0,"candidate alternative"]
["98730-04-2","antimicrobial",0.8401,0.1875,"poor prediction"]
["66332-96-5","antimicrobial",0.8542,0.0625,"candidate alternative"]
["61213-25-0","antimicrobial",0.8057,0.125,"poor prediction"]
["142459-58-3","antimicrobial",0.8972,0.125,"candidate alternative"]
["369-77-7","antimicrobial",0.9421,0.375,"true positive"]
["363-17-7","antimicrobial",0.8125,0.0625,"poor prediction"]
["3736-81-0","antimicrobial",0.8433,0.0625,"poor prediction"]
["116714-46-6","antimicrobial",0.8167,0,"candidate alternative"]
["64628-44-0","antimicrobial",0.88,0.0625,"candidate alternative"]
["75706-12-6","antimicrobial",0.8715,0.125,"candidate alternative"]
["154598-52-4","antimicrobial",0.8384,0.375,"poor prediction"]
["83164-33-4","antimicrobial",0.8793,0,"candidate alternative"]
["636-54-4","antimicrobial",0.84,0,"poor prediction"]
["64902-72-3","antimicrobial",0.8621,0.0625,"poor prediction"]
["16673-34-0","antimicrobial",0.8201,0,"poor prediction"]
["82097-50-5","antimicrobial",0.8139,0,"poor prediction"]
["80125-14-0","antimicrobial",0.8471,0,"poor prediction"]
["71320-77-9","antimicrobial",0.8462,0.107142857143,"poor prediction"]
["22204-91-7","antimicrobial",0.8393,0,"poor prediction"]
["61869-08-7","antimicrobial",0.8301,0.25,"poor prediction"]
["110488-70-5","antimicrobial",0.809,0.0625,"poor prediction"]
["87-10-5","antimicrobial",0.8397,0.416666666667,"functional substitute"]
["86811-58-7","antimicrobial",0.8122,0,"candidate alternative"]
["133-07-3","antimicrobial",0.9288,0.375,"true positive"]
["21440-97-1","antimicrobial",0.8432,0,"poor prediction"]
["15362-40-0","antimicrobial",0.8539,0.3125,"poor prediction"]
["14556-46-8","antimicrobial",0.8682,0,"poor prediction"]
["6933-90-0","antimicrobial",0.8043,0,"poor prediction"]
["53786-28-0","antimicrobial",0.8431,0,"poor prediction"]
["439-14-5","antimicrobial",0.8155,0.0625,"poor prediction"]
["2955-38-6","antimicrobial",0.8335,0.142857142857,"poor prediction"]
["50264-69-2","antimicrobial",0.8418,0.1875,"poor prediction"]
["22316-47-8","antimicrobial",0.9055,0,"poor prediction"]
["23950-58-5","antimicrobial",0.8871,0.03125,"candidate alternative"]
["112226-61-6","antimicrobial",0.901,0.0625,"poor prediction"]
["83121-18-0","antimicrobial",0.8472,0,"candidate alternative"]
["35367-38-5","antimicrobial",0.87,0.0625,"candidate alternative"]
["101-20-2","antimicrobial",0.9556,0.416666666667,"true positive"]
["36734-19-7","antimicrobial",0.8368,0.09375,"candidate alternative"]
["53786-46-2","antimicrobial",0.8865,0,"poor prediction"]
["188425-85-6","antimicrobial",0.8644,0,"poor prediction"]
["32809-16-8","antimicrobial",0.8189,0.125,"poor prediction"]
["126833-17-8","antimicrobial",0.8031,0.25,"poor prediction"]
["68367-52-2","antimicrobial",0.8141,0,"poor prediction"]
["175013-18-0","antimicrobial",0.8284,0.375,"functional substitute"]
["93-47-0","antimicrobial",0.8046,0,"poor prediction"]
["84087-01-4","antimicrobial",0.832,0,"candidate alternative"]
["90717-03-6","antimicrobial",0.8303,0,"candidate alternative"]
["68157-60-8","antimicrobial",0.8859,0.4375,"functional substitute"]
["35575-96-3","antimicrobial",0.8733,0.1875,"poor prediction"]
["2310-17-0","antimicrobial",0.8198,0.1875,"poor prediction"]
["21564-17-0","antimicrobial",0.8297,0.4375,"true positive"]
["3696-28-4","antimicrobial",0.9031,0.5,"true positive"]
["102625-70-7","antimicrobial",0.8391,0.0625,"poor prediction"]
["50-65-7","antimicrobial",0.8055,0.3125,"candidate alternative"]
["521-74-4","antimicrobial",0.9159,0.25,"candidate alternative"]
["130-26-7","antimicrobial",0.9156,0.3125,"candidate alternative"]
["83-73-8","antimicrobial",0.9044,0.1875,"candidate alternative"]
["15599-52-7","antimicrobial",0.9241,0.25,"candidate alternative"]
["773-76-2","antimicrobial",0.9025,0.3125,"candidate alternative"]
["72-80-0","antimicrobial",0.9133,0.3125,"candidate alternative"]
["92-04-6","antimicrobial",0.8228,0.1875,"candidate alternative"]
["130-16-5","antimicrobial",0.8855,0.25,"candidate alternative"]
["6385-58-6","antimicrobial",0.8429,0.625,"functional substitute"]
["97-24-5","antimicrobial",0.9413,0.4375,"true positive"]
["844-26-8","antimicrobial",0.8979,0.125,"candidate alternative"]
["13181-17-4","antimicrobial",0.8039,0.25,"candidate alternative"]
["320-72-9","antimicrobial",0.8457,0,"candidate alternative"]
["22494-42-4","antimicrobial",0.8256,0,"candidate alternative"]
["97-18-7","antimicrobial",0.8865,0.541666666667,"functional substitute"]
["4638-48-6","antimicrobial",0.8488,0.3125,"candidate alternative"]
["137-19-9","antimicrobial",0.88,0,"candidate alternative"]
["1689-83-4","antimicrobial",0.8676,0.375,"functional substitute"]
["933-78-8","antimicrobial",0.8195,0.3125,"candidate alternative"]
["95-95-4","antimicrobial",0.8386,0.0909090909091,"candidate alternative"]
["609-19-8","antimicrobial",0.9026,0.1875,"candidate alternative"]
["15950-66-0","antimicrobial",0.8903,0.125,"candidate alternative"]
["88-06-2","antimicrobial",0.8193,0,"candidate alternative"]
["935-95-5","antimicrobial",0.8773,0.3125,"candidate alternative"]
["1689-84-5","antimicrobial",0.8689,0.34375,"candidate alternative"]
["4901-51-3","antimicrobial",0.9119,0.4375,"functional substitute"]
["136-32-3","antimicrobial",0.92,0.1875,"candidate alternative"]
["118-79-6","antimicrobial",0.8477,0.125,"candidate alternative"]
["3380-34-5","antimicrobial",0.8742,0.3125,"candidate alternative"]
["305-85-1","antimicrobial",0.8032,0.166666666667,"candidate alternative"]
["608-71-9","antimicrobial",0.8572,0.3125,"candidate alternative"]
["87-86-5","antimicrobial",0.9269,0.3125,"true positive"]
["58-90-2","antimicrobial",0.8631,0.25,"candidate alternative"]
["933-75-5","antimicrobial",0.8214,0,"candidate alternative"]
["120-32-1","antimicrobial",0.9532,0.270833333333,"true positive"]
["80-00-2","antimicrobial",0.8018,0.0625,"poor prediction"]
["7281-04-1","antimicrobial",0.9421,0.5625,"functional substitute"]
["139-07-1","antimicrobial",0.8652,0.5,"functional substitute"]
["538-71-6","antimicrobial",0.9583,0.5625,"true positive"]
["122-19-0","antimicrobial",0.8529,0.6875,"functional substitute"]
["122-18-9","antimicrobial",0.9571,0.46875,"true positive"]
["140-72-7","antimicrobial",0.8799,0.5625,"functional substitute"]
["112-02-7","antimicrobial",0.9378,0.375,"true positive"]
["123-03-5","antimicrobial",0.9439,0.625,"true positive"]
["2748-88-1","antimicrobial",0.9308,0.416666666667,"functional substitute"]
["7173-51-5","antimicrobial",0.8422,0.625,"functional substitute"]
["2390-68-3","antimicrobial",0.8502,0.666666666667,"functional substitute"]
["5538-94-3","antimicrobial",0.9415,0.375,"true positive"]
["27668-52-6","antimicrobial",0.9249,0.166666666667,"true positive"]
["68959-20-6","antimicrobial",0.9088,0.25,"true positive"]
["1155-74-4","antimicrobial",0.9223,0.625,"functional substitute"]
["76-87-9","antimicrobial",0.8758,0.75,"true positive"]
["124-03-8","antimicrobial",0.9476,0.6875,"true positive"]
["112-03-8","antimicrobial",0.9083,0.6875,"functional substitute"]
["80-38-6","antimicrobial",0.8481,0,"candidate alternative"]
["18046-21-4","antimicrobial",0.8005,0.225,"poor prediction"]
["80-13-7","antimicrobial",0.8026,0.0625,"candidate alternative"]
["85264-33-1","antimicrobial",0.8123,0,"true positive"]
["2832-19-1","antimicrobial",0.8088,0,"candidate alternative"]
["650-51-1","antimicrobial",0.8979,0,"true positive"]
["57-09-0","antimicrobial",0.9655,0.46875,"true positive"]
["127-20-8","antimicrobial",0.8601,0,"candidate alternative"]
["140-95-4","antimicrobial",0.8624,0,"true positive"]
["1119-97-7","antimicrobial",0.862,0.5,"functional substitute"]
["4574-04-3","antimicrobial",0.8788,0.375,"functional substitute"]
["1119-94-4","antimicrobial",0.8376,0.5,"functional substitute"]
["112-00-5","antimicrobial",0.8188,0.3125,"candidate alternative"]
["2439-10-3","antimicrobial",0.8107,0.0625,"true positive"]
["116-25-6","antimicrobial",0.8462,0.0625,"true positive"]
["145-94-8","antimicrobial",0.835,0,"candidate alternative"]
["13347-42-7","antimicrobial",0.8029,0.0625,"candidate alternative"]
["89-68-9","antimicrobial",0.89,0.09375,"true positive"]
["1610-18-0","antimicrobial",0.8505,0,"true positive"]
["1610-17-9","antimicrobial",0.8069,0,"candidate alternative"]
["101-05-3","antimicrobial",0.8852,0,"candidate alternative"]
["7287-19-6","antimicrobial",0.8552,0,"candidate alternative"]
["834-12-8","antimicrobial",0.8398,0,"candidate alternative"]
["886-50-0","antimicrobial",0.8302,0.03125,"candidate alternative"]
["32889-48-8","antimicrobial",0.9029,0,"candidate alternative"]
["1014-70-6","antimicrobial",0.813,0,"candidate alternative"]
["22936-75-0","antimicrobial",0.8048,0,"candidate alternative"]
["118-23-0","antimicrobial",0.888,0.25,"candidate alternative"]
["848-53-3","antimicrobial",0.9211,0.0625,"candidate alternative"]
["23593-75-1","antimicrobial",0.918,0.46875,"true positive"]
["791-35-5","antimicrobial",0.8851,0,"poor prediction"]
["1215-83-4","antimicrobial",0.8921,0,"poor prediction"]
["28159-98-0","antimicrobial",0.8795,0.0625,"true positive"]
["17692-39-6","antimicrobial",0.8061,0.0625,"candidate alternative"]
["21725-46-2","antimicrobial",0.9173,0,"candidate alternative"]
["122-34-9","antimicrobial",0.9427,0,"true positive"]
["4776-06-1","antimicrobial",0.9169,0.464285714286,"true positive"]
["115-32-2","antimicrobial",0.8521,0.5,"poor prediction"]
["69806-40-2","antimicrobial",0.8209,0.125,"candidate alternative"]
["56296-78-7","antimicrobial",0.824,0.5625,"poor prediction"]
["54910-89-3","antimicrobial",0.824,0.1875,"poor prediction"]
["68694-11-1","antimicrobial",0.8471,0.3125,"poor prediction"]
["5915-41-3","antimicrobial",0.9546,0.125,"true positive"]
["122453-73-0","antimicrobial",0.8173,0.375,"functional substitute"]
["70-30-4","antimicrobial",0.875,0.5625,"true positive"]
["97-23-4","antimicrobial",0.9731,0.354166666667,"true positive"]
["79-95-8","antimicrobial",0.8383,0.25,"candidate alternative"]
["6170-42-9","antimicrobial",0.8102,0,"poor prediction"]
["139-40-2","antimicrobial",0.9403,0,"candidate alternative"]
["1912-24-9","antimicrobial",0.9295,0,"candidate alternative"]
["2971-36-0","antimicrobial",0.8152,0.40625,"functional substitute"]
["350-12-9","antimicrobial",0.8202,0.0833333333333,"poor prediction"]
["60628-96-8","antimicrobial",0.8424,0.25,"true positive"]
["2391-03-9","antimicrobial",0.9048,0,"poor prediction"]
["117-80-6","antimicrobial",0.8087,0.5625,"true positive"]
["119168-77-3","antimicrobial",0.8066,0.4375,"poor prediction"]
["66063-05-6","antimicrobial",0.8506,0.3125,"candidate alternative"]
["13684-63-4","antimicrobial",0.847,0.125,"true positive"]
["121-54-0","antimicrobial",0.9366,0.53125,"true positive"]
["2773-92-4","antimicrobial",0.8229,0.0625,"candidate alternative"]
["5786-21-0","antimicrobial",0.8021,0,"poor prediction"]
["28434-01-7","antimicrobial",0.811,0,"candidate alternative"]
["26002-80-2","antimicrobial",0.8157,0,"true positive"]
["1244-76-4","antimicrobial",0.8282,0.125,"poor prediction"]
["68-88-2","antimicrobial",0.8282,0.125,"poor prediction"]
["95-77-2","antimicrobial",0.8564,0.0625,"candidate alternative"]
["133-53-9","antimicrobial",0.9402,0.0625,"true positive"]
["88-04-0","antimicrobial",0.9035,0,"true positive"]
["10453-86-8","antimicrobial",0.811,0.125,"true positive"]
["131341-86-1","antimicrobial",0.8263,0.375,"functional substitute"]
["103577-45-3","antimicrobial",0.8343,0.1875,"poor prediction"]
["61-75-6","antimicrobial",0.9211,0,"poor prediction"]
["56343-98-7","antimicrobial",0.9209,0.0625,"poor prediction"]
["3505-38-2","antimicrobial",0.9021,0,"poor prediction"]
["17780-75-5","antimicrobial",0.8897,0.125,"poor prediction"]
["1163-36-6","antimicrobial",0.8772,0.0625,"poor prediction"]
["3689-76-7","antimicrobial",0.8659,0.1875,"candidate alternative"]
["84-02-6","antimicrobial",0.8011,0.3125,"poor prediction"]
["4789-68-8","antimicrobial",0.8667,0.125,"poor prediction"]
["2058-52-8","antimicrobial",0.821,0,"poor prediction"]
["549-68-8","antimicrobial",0.8117,0.416666666667,"functional substitute"]
["124495-18-7","antimicrobial",0.879,0.1875,"poor prediction"]
["28911-01-5","antimicrobial",0.8163,0,"poor prediction"]
["1018-71-9","antimicrobial",0.8221,0.416666666667,"poor prediction"]
["79559-97-0","antimicrobial",0.8487,0.25,"poor prediction"]
["22916-47-8","antimicrobial",0.845,0,"candidate alternative"]
["24169-02-6","antimicrobial",0.8954,0.604166666667,"functional substitute"]
["5598-15-2","antimicrobial",0.8639,0.3125,"poor prediction"]
["135410-20-7","antimicrobial",0.8292,0,"candidate alternative"]
["709-98-8","antimicrobial",0.8191,0.15625,"candidate alternative"]
["2971-90-6","antimicrobial",0.8935,0,"candidate alternative"]
["3060-89-7","antimicrobial",0.8809,0.125,"candidate alternative"]
["1746-81-2","antimicrobial",0.8121,0.0625,"candidate alternative"]
["150-68-5","antimicrobial",0.8543,0.03125,"candidate alternative"]
["140-38-5","antimicrobial",0.812,0,"candidate alternative"]
["95-25-0","antimicrobial",0.8668,0,"candidate alternative"]
["19932-84-4","antimicrobial",0.8106,0,"candidate alternative"]
["2008-58-4","antimicrobial",0.8557,0,"candidate alternative"]
["1698-60-8","antimicrobial",0.8215,0,"poor prediction"]
["129-81-7","antimicrobial",0.8416,0,"candidate alternative"]
["3158-91-6","antimicrobial",0.8298,0.25,"poor prediction"]
["1982-47-4","antimicrobial",0.9095,0.25,"candidate alternative"]
["4093-31-6","antimicrobial",0.8168,0,"poor prediction"]
["15310-01-7","antimicrobial",0.8491,0.125,"candidate alternative"]
["87-90-1","antimicrobial",0.949,0,"candidate alternative"]
["22663-37-2","antimicrobial",0.8366,0,"poor prediction"]
["10605-21-7","antimicrobial",0.8615,0.125,"true positive"]
["70-07-5","antimicrobial",0.8001,0,"candidate alternative"]
["77-65-6","antimicrobial",0.809,0,"poor prediction"]
["54-91-1","antimicrobial",0.8233,0,"poor prediction"]
["886-74-8","antimicrobial",0.8629,0,"candidate alternative"]
["71526-07-3","antimicrobial",0.8016,0,"poor prediction"]
["50471-44-8","antimicrobial",0.852,0.21875,"poor prediction"]
["2164-09-2","antimicrobial",0.8354,0.21875,"candidate alternative"]
["94-75-7","antimicrobial",0.8392,0.03125,"candidate alternative"]
["882-09-7","antimicrobial",0.8129,0,"candidate alternative"]
["3766-60-7","antimicrobial",0.9082,0.125,"candidate alternative"]
["120-36-5","antimicrobial",0.8412,0,"candidate alternative"]
["330-54-1","antimicrobial",0.9423,0.104166666667,"true positive"]
["2327-02-8","antimicrobial",0.8445,0,"candidate alternative"]
["6515-38-4","antimicrobial",0.8127,0.0625,"poor prediction"]
["56-95-1","antimicrobial",0.9783,0.625,"true positive"]
["55-56-1","antimicrobial",0.9783,0.479166666667,"true positive"]
["3697-42-5","antimicrobial",0.9783,0.6875,"true positive"]
["522-51-0","antimicrobial",0.8494,0.333333333333,"true positive"]
["56-35-9","antimicrobial",0.8473,0.5625,"true positive"]
["2155-70-6","antimicrobial",0.8125,0.75,"true positive"]
["4342-36-3","antimicrobial",0.8252,0.75,"true positive"]
["1941-30-6","antimicrobial",0.8228,0,"candidate alternative"]
["85-34-7","antimicrobial",0.8379,0.0625,"candidate alternative"]
["34645-84-6","antimicrobial",0.8447,0,"candidate alternative"]
["93-65-2","antimicrobial",0.8086,0,"candidate alternative"]
["83-05-6","antimicrobial",0.8287,0.125,"candidate alternative"]
["94-81-5","antimicrobial",0.8003,0,"candidate alternative"]
["126-06-7","antimicrobial",0.9942,0,"true positive"]
["16079-88-2","antimicrobial",0.9941,0,"true positive"]
["77-48-5","antimicrobial",0.9762,0.125,"true positive"]
["118-52-5","antimicrobial",0.9724,0.03125,"true positive"]
["51580-86-0","antimicrobial",0.967,0,"true positive"]
["2893-78-9","antimicrobial",0.967,0.0227272727273,"true positive"]
["2782-57-2","antimicrobial",0.9441,0,"true positive"]
["26172-55-4","antimicrobial",0.9007,0.0357142857143,"true positive"]
["999-81-5","antimicrobial",0.9048,0,"true positive"]
["51229-78-8","antimicrobial",0.942,0,"true positive"]
["104-29-0","antimicrobial",0.8558,0,"true positive"]
["3567-62-2","antimicrobial",0.8654,0.125,"candidate alternative"]
["93-76-5","antimicrobial",0.8711,0,"candidate alternative"]
["2702-72-9","antimicrobial",0.8348,0.0625,"candidate alternative"]
["2008-39-1","antimicrobial",0.9332,0,"true positive"]
["133855-98-8","antimicrobial",0.8488,0.1875,"poor prediction"]
["80-07-9","antimicrobial",0.8945,0.1875,"candidate alternative"]
["80-33-1","antimicrobial",0.9317,0.0625,"true positive"]
["116-29-0","antimicrobial",0.8371,0.1875,"candidate alternative"]
["13360-45-7","antimicrobial",0.937,0.125,"candidate alternative"]
["330-55-2","antimicrobial",0.9221,0.125,"candidate alternative"]
["101-27-9","antimicrobial",0.8729,0.3125,"poor prediction"]
["4462-55-9","antimicrobial",0.891,0,"poor prediction"]
["74115-24-5","antimicrobial",0.9503,0.03125,"poor prediction"]
["31036-80-3","antimicrobial",0.9346,0,"candidate alternative"]
["60207-31-0","antimicrobial",0.8998,0,"poor prediction"]
["25875-51-8","antimicrobial",0.9389,0.125,"poor prediction"]
["152-53-4","antimicrobial",0.9537,0.166666666667,"poor prediction"]
["50-31-7","antimicrobial",0.8312,0.0625,"candidate alternative"]
["719-32-4","antimicrobial",0.8366,0,"candidate alternative"]
["103112-35-2","antimicrobial",0.8412,0.3125,"poor prediction"]
["1085-98-9","antimicrobial",0.8429,0.5,"poor prediction"]
["731-27-1","antimicrobial",0.8252,0.4375,"poor prediction"]
["138261-41-3","antimicrobial",0.9632,0,"true positive"]
["111988-49-9","antimicrobial",0.9483,0,"candidate alternative"]
["150824-47-8","antimicrobial",0.9115,0,"candidate alternative"]
["153719-23-4","antimicrobial",0.9501,0,"true positive"]
["75438-57-2","antimicrobial",0.8808,0.0625,"poor prediction"]
["85371-64-8","antimicrobial",0.8387,0,"poor prediction"]
["93-72-1","antimicrobial",0.8667,0.0625,"candidate alternative"]
["116255-48-2","antimicrobial",0.8392,0.1875,"poor prediction"]
["119446-68-3","antimicrobial",0.8588,0.375,"poor prediction"]
["84392-17-6","antimicrobial",0.8348,0.0625,"candidate alternative"]
["29091-09-6","antimicrobial",0.8082,0.4375,"functional substitute"]
["10469-09-7","antimicrobial",0.8456,0.0625,"poor prediction"]
["1702-17-6","antimicrobial",0.8197,0.09375,"poor prediction"]
["17824-83-8","antimicrobial",0.8206,0.375,"poor prediction"]
["55335-06-3","antimicrobial",0.8877,0,"poor prediction"]
["2759-71-9","antimicrobial",0.8704,0.25,"candidate alternative"]
["594-65-0","antimicrobial",0.8139,0.0625,"candidate alternative"]
["144-48-9","antimicrobial",0.8078,0,"candidate alternative"]
["116-52-9","antimicrobial",0.8687,0,"poor prediction"]
["541-79-7","antimicrobial",0.8022,0,"poor prediction"]
["671-95-4","antimicrobial",0.8225,0,"candidate alternative"]
["98967-40-9","antimicrobial",0.8172,0,"poor prediction"]
["145701-23-1","antimicrobial",0.8167,0,"poor prediction"]
["145701-21-9","antimicrobial",0.8025,0.0625,"poor prediction"]
["10222-01-2","antimicrobial",0.9307,0.0625,"true positive"]
["777-11-7","antimicrobial",0.8122,0.333333333333,"candidate alternative"]
["120116-88-3","antimicrobial",0.8824,0.375,"poor prediction"]
["122836-35-5","antimicrobial",0.8944,0,"poor prediction"]
["169590-42-5","antimicrobial",0.8288,0.25,"candidate alternative"]
["120-97-8","antimicrobial",0.8688,0,"poor prediction"]
["17692-43-2","antimicrobial",0.8185,0.0833333333333,"poor prediction"]
["26644-46-2","antimicrobial",0.8387,0.0625,"poor prediction"]
["54965-21-8","antimicrobial",0.8224,0.09375,"candidate alternative"]
["1897-45-6","antimicrobial",0.9141,0.59375,"true positive"]
["97-16-5","antimicrobial",0.8964,0.125,"candidate alternative"]
["88485-37-4","antimicrobial",0.8098,0,"poor prediction"]
["7195-27-9","antimicrobial",0.8261,0,"poor prediction"]
["490-46-0","antioxidant",0.8734,0,"candidate alternative"]
["117-39-5","antioxidant",0.9859,0.21875,"true positive"]
["25973-55-1","antioxidant",0.8268,0,"candidate alternative"]
["2107-76-8","antioxidant",0.8423,0.0625,"candidate alternative"]
["3147-75-9","antioxidant",0.8641,0.0833333333333,"candidate alternative"]
["90-33-5","antioxidant",0.8306,0.125,"candidate alternative"]
["446-72-0","antioxidant",0.9306,0.354166666667,"functional substitute"]
["520-18-3","antioxidant",0.9838,0.28125,"true positive"]
["517-28-2","antioxidant",0.8424,0.0625,"candidate alternative"]
["32687-77-7","antioxidant",0.8607,0,"candidate alternative"]
["82-02-0","antioxidant",0.8215,0.0625,"candidate alternative"]
["6683-19-8","antioxidant",0.8041,0.1875,"candidate alternative"]
["36443-68-2","antioxidant",0.8053,0,"candidate alternative"]
["40601-76-1","antioxidant",0.9135,0.125,"candidate alternative"]
["96-69-5","antioxidant",0.9799,0.75,"true positive"]
["23288-49-5","antioxidant",0.9419,0,"candidate alternative"]
["491-80-5","antioxidant",0.9225,0.34375,"functional substitute"]
["70321-86-7","antioxidant",0.8116,0,"candidate alternative"]
["6051-87-2","antioxidant",0.8262,0.375,"functional substitute"]
["486-66-8","antioxidant",0.9014,0.25,"functional substitute"]
["149-91-7","antioxidant",0.875,0.03125,"true positive"]
["480-40-0","antioxidant",0.9298,0.4375,"functional substitute"]
["89-65-6","antioxidant",0.958,0,"true positive"]
["6381-77-7","antioxidant",0.9498,0,"true positive"]
["85-60-9","antioxidant",0.9792,0.75,"true positive"]
["134-03-2","antioxidant",0.9514,0,"true positive"]
["501-30-4","antioxidant",0.8255,0,"true positive"]
["645-35-2","antioxidant",0.8047,0,"true positive"]
["616-91-1","antioxidant",0.8784,0.03125,"true positive"]
["1953-02-2","antioxidant",0.8614,0,"candidate alternative"]
["485-72-3","antioxidant",0.8949,0.25,"functional substitute"]
["1620-98-0","antioxidant",0.8459,0,"candidate alternative"]
["38194-50-2","antioxidant",0.8182,0.0625,"true positive"]
["3236-71-3","antioxidant",0.805,0.625,"poor prediction"]
["2144-08-3","antioxidant",0.8635,0,"candidate alternative"]
["84-17-3","antioxidant",0.8145,0.1875,"candidate alternative"]
["4991-65-5","antioxidant",0.8293,0,"candidate alternative"]
["99-45-6","antioxidant",0.8064,0,"candidate alternative"]
["22888-70-6","antioxidant",0.871,0.09375,"candidate alternative"]
["520-36-5","antioxidant",0.9635,0.40625,"true positive"]
["89-86-1","antioxidant",0.826,0,"candidate alternative"]
["5613-46-7","antioxidant",0.9239,0.5625,"functional substitute"]
["90-30-2","antioxidant",0.823,0.28125,"true positive"]
["118-82-1","antioxidant",0.9642,0.03125,"true positive"]
["135-88-6","antioxidant",0.8528,0.3125,"true positive"]
["10081-67-1","antioxidant",0.8554,0.0625,"true positive"]
["15721-78-5","antioxidant",0.8003,0,"candidate alternative"]
["88107-10-2","antioxidant",0.816,0.125,"candidate alternative"]
["60-82-2","antioxidant",0.9063,0.3125,"true positive"]
["1421-63-2","antioxidant",0.8046,0,"candidate alternative"]
["2295-58-1","antioxidant",0.8073,0.0625,"candidate alternative"]
["1948-33-0","antioxidant",0.8511,0.196428571429,"candidate alternative"]
["3896-11-5","antioxidant",0.8112,0,"candidate alternative"]
["98-29-3","antioxidant",0.832,0.1875,"candidate alternative"]
["88-26-6","antioxidant",0.8334,0.1875,"candidate alternative"]
["732-26-3","antioxidant",0.9283,0.0625,"true positive"]
["4130-42-1","antioxidant",0.8961,0.03125,"true positive"]
["17540-75-9","antioxidant",0.9368,0.0625,"true positive"]
["728-40-5","antioxidant",0.8303,0.3125,"functional substitute"]
["88-27-7","antioxidant",0.9456,0.0625,"true positive"]
["50-81-7","antioxidant",0.958,0.0333333333333,"candidate alternative"]
["1491-59-4","antioxidant",0.9436,0,"candidate alternative"]
["88-58-4","antioxidant",0.9612,0.3125,"true positive"]
["37693-01-9","antioxidant",0.8818,0.5,"functional substitute"]
["93-69-6","antioxidant",0.8286,0,"true positive"]
["497-39-2","antioxidant",0.8293,0.5625,"functional substitute"]
["88-24-4","antioxidant",0.9845,0.625,"true positive"]
["119-47-1","antioxidant",0.9565,0.75,"functional substitute"]
["77-40-7","antioxidant",0.8703,0.3125,"functional substitute"]
["79-97-0","antioxidant",0.9328,0.3125,"functional substitute"]
["80-05-7","antioxidant",0.8695,0.375,"functional substitute"]
["6807-17-6","antioxidant",0.8862,0.5,"functional substitute"]
["27955-94-8","antioxidant",0.883,0.3125,"functional substitute"]
["500-38-9","antioxidant",0.9229,0.375,"true positive"]
["27686-84-6","antioxidant",0.9229,0.0833333333333,"candidate alternative"]
["52225-20-4","antioxidant",0.9024,0,"candidate alternative"]
["58-95-7","antioxidant",0.9024,0,"true positive"]
["43119-47-7","antioxidant",0.845,0,"candidate alternative"]
["4345-03-3","antioxidant",0.9217,0.0714285714286,"true positive"]
["54-28-4","antioxidant",0.8428,0,"candidate alternative"]
["119-13-1","antioxidant",0.844,0,"candidate alternative"]
["59-02-9","antioxidant",0.879,0,"candidate alternative"]
["521-35-7","antioxidant",0.86,0.666666666667,"functional substitute"]
["1972-08-3","antioxidant",0.8179,0.166666666667,"candidate alternative"]
["489-01-0","antioxidant",0.8453,0,"candidate alternative"]
["2772-45-4","antioxidant",0.907,0.65625,"functional substitute"]
["497-76-7","antioxidant",0.8472,0,"true positive"]
["79-74-3","antioxidant",0.9313,0.25,"true positive"]
["520-26-3","antioxidant",0.8989,0,"candidate alternative"]
["531-75-9","antioxidant",0.8172,0.25,"functional substitute"]
["10595-72-9","antioxidant",0.8397,0,"true positive"]
["84-16-2","antioxidant",0.9115,0.40625,"functional substitute"]
["520-27-4","antioxidant",0.9451,0.0625,"true positive"]
["153-18-4","antioxidant",0.9519,0.03125,"true positive"]
["102-87-4","antistatic agent",0.8993,0,"true positive"]
["27668-52-6","antistatic agent",0.805,0.166666666667,"poor prediction"]
["544-62-7","antistatic agent",0.8405,0.0625,"functional substitute"]
["25507-04-4","antistatic agent",0.8243,0,"poor prediction"]
["124-22-1","antistatic agent",0.8172,0.0625,"true positive"]
["112-90-3","antistatic agent",0.8293,0,"true positive"]
["112-75-4","antistatic agent",0.8288,0,"candidate alternative"]
["7617-74-5","antistatic agent",0.8898,0,"candidate alternative"]
["123-94-4","antistatic agent",0.8392,0,"true positive"]
["24602-86-6","antistatic agent",0.8841,0,"poor prediction"]
["544-31-0","antistatic agent",0.8584,0,"candidate alternative"]
["3179-80-4","antistatic agent",0.9894,0.625,"true positive"]
["1541-67-9","antistatic agent",0.922,0.5625,"functional substitute"]
["18924-66-8","antistatic agent",0.9328,0.5,"functional substitute"]
["143-27-1","antistatic agent",0.9331,0,"true positive"]
["124-28-7","antistatic agent",0.8888,0,"candidate alternative"]
["1541-81-7","antistatic agent",0.8655,0,"poor prediction"]
["112-69-6","antistatic agent",0.8856,0,"candidate alternative"]
["608-66-2","buffer",0.8396,0,"candidate alternative"]
["50-70-4","buffer",0.8396,0,"candidate alternative"]
["69-65-8","buffer",0.8396,0.0208333333333,"candidate alternative"]
["96-82-2","buffer",0.8917,0,"true positive"]
["56-40-6","buffer",0.811,0,"candidate alternative"]
["142-26-7","buffer",0.8499,0.0625,"poor prediction"]
["40391-99-9","buffer",0.811,0,"poor prediction"]
["25209-66-9","buffer",0.8471,0,"poor prediction"]
["5421-46-5","buffer",0.8543,0,"poor prediction"]
["156-57-0","buffer",0.8185,0,"poor prediction"]
["7529-22-8","buffer",0.8023,0,"poor prediction"]
["87-89-8","buffer",0.8191,0,"candidate alternative"]
["69-93-2","buffer",0.8318,0,"true positive"]
["147-81-9","buffer",0.8239,0,"candidate alternative"]
["144-62-7","buffer",0.9037,0.03125,"functional substitute"]
["72-19-5","buffer",0.8079,0,"candidate alternative"]
["924-49-2","buffer",0.87,0.0833333333333,"functional substitute"]
["6284-40-8","buffer",0.8673,0.03125,"poor prediction"]
["7512-17-6","buffer",0.8057,0,"candidate alternative"]
["33996-33-7","buffer",0.8459,0.1875,"functional substitute"]
["372-09-8","buffer",0.8787,0,"poor prediction"]
["625-45-6","buffer",0.8523,0,"candidate alternative"]
["110-99-6","buffer",0.8849,0,"candidate alternative"]
["54-86-4","buffer",0.8211,0,"poor prediction"]
["21732-17-2","buffer",0.8531,0,"poor prediction"]
["127-09-3","buffer",0.9203,0,"candidate alternative"]
["5138-18-1","buffer",0.8681,0,"candidate alternative"]
["4408-78-0","buffer",0.9067,0,"poor prediction"]
["50-21-5","buffer",0.9026,0.0208333333333,"candidate alternative"]
["312-84-5","buffer",0.8389,0,"candidate alternative"]
["141-82-2","buffer",0.9051,0,"candidate alternative"]
["461-58-5","buffer",0.8396,0,"poor prediction"]
["628-87-5","buffer",0.8544,0,"poor prediction"]
["75-75-2","buffer",0.8258,0,"candidate alternative"]
["75-59-2","buffer",0.8826,0.0625,"poor prediction"]
["75-57-0","buffer",0.8366,0,"poor prediction"]
["926-39-6","buffer",0.8139,0,"poor prediction"]
["107-35-7","buffer",0.8214,0.03125,"functional substitute"]
["4316-74-9","buffer",0.8254,0,"candidate alternative"]
["1562-00-1","buffer",0.8259,0.0625,"functional substitute"]
["870-72-4","buffer",0.8276,0,"candidate alternative"]
["107-21-1","buffer",0.8216,0.03125,"poor prediction"]
["110-65-6","buffer",0.8252,0,"poor prediction"]
["1115-70-4","buffer",0.8287,0.0625,"functional substitute"]
["657-24-9","buffer",0.8287,0,"candidate alternative"]
["306-37-6","buffer",0.8494,0,"poor prediction"]
["1937-19-5","buffer",0.8712,0.0625,"poor prediction"]
["2398-81-4","buffer",0.8416,0,"poor prediction"]
["593-85-1","buffer",0.9013,0,"true positive"]
["1762-95-4","buffer",0.8343,0,"poor prediction"]
["506-59-2","buffer",0.875,0,"poor prediction"]
["660-68-4","buffer",0.858,0,"candidate alternative"]
["593-81-7","buffer",0.8866,0,"poor prediction"]
["557-30-2","buffer",0.8052,0,"poor prediction"]
["79-19-6","buffer",0.8139,0.21875,"poor prediction"]
["1934-75-4","buffer",0.8267,0,"poor prediction"]
["142-64-3","buffer",0.828,0.0625,"poor prediction"]
["112-24-3","buffer",0.8077,0,"candidate alternative"]
["111-40-0","buffer",0.841,0.0454545454545,"functional substitute"]
["56-18-8","buffer",0.8646,0.0625,"true positive"]
["51-45-6","buffer",0.8358,0,"poor prediction"]
["138-92-1","buffer",0.8277,0,"poor prediction"]
["1187-42-4","buffer",0.8553,0.0625,"poor prediction"]
["1758-73-2","buffer",0.8471,0,"poor prediction"]
["111-94-4","buffer",0.807,0,"candidate alternative"]
["79-14-1","buffer",0.9511,0,"true positive"]
["104-98-3","buffer",0.8228,0.0625,"functional substitute"]
["1703-58-8","buffer",0.9109,0,"candidate alternative"]
["4767-03-7","buffer",0.8838,0,"candidate alternative"]
["502-85-2","buffer",0.8705,0.0833333333333,"functional substitute"]
["1116-54-7","buffer",0.8906,0,"poor prediction"]
["594-61-6","buffer",0.8553,0,"candidate alternative"]
["123-41-1","buffer",0.9096,0,"candidate alternative"]
["67-48-1","buffer",0.8996,0,"candidate alternative"]
["1927-06-6","buffer",0.8973,0,"candidate alternative"]
["108-01-0","buffer",0.9387,0.0227272727273,"true positive"]
["100-37-8","buffer",0.9632,0,"true positive"]
["622-40-2","buffer",0.9296,0.0625,"functional substitute"]
["103-76-4","buffer",0.9505,0.03125,"functional substitute"]
["110-97-4","buffer",0.8116,0,"candidate alternative"]
["122-20-3","buffer",0.8431,0.03125,"functional substitute"]
["111-41-1","buffer",0.9493,0,"candidate alternative"]
["4985-85-7","buffer",0.9541,0,"candidate alternative"]
["102-71-6","buffer",0.9813,0,"candidate alternative"]
["56-12-2","buffer",0.813,0,"candidate alternative"]
["140-07-8","buffer",0.9723,0.0625,"true positive"]
["156-54-7","buffer",0.8479,0,"candidate alternative"]
["110-15-6","buffer",0.8389,0.0208333333333,"candidate alternative"]
["124-64-1","buffer",0.8192,0,"poor prediction"]
["149-44-0","buffer",0.8255,0.0625,"poor prediction"]
["1185-53-1","buffer",0.8921,0,"candidate alternative"]
["77-86-1","buffer",0.8821,0,"candidate alternative"]
["299-75-2","buffer",0.8052,0,"poor prediction"]
["149-32-6","buffer",0.82,0,"poor prediction"]
["115-77-5","buffer",0.8072,0.0625,"poor prediction"]
["2079-89-2","buffer",0.8534,0,"candidate alternative"]
["110-17-8","buffer",0.882,0.0625,"functional substitute"]
["110-16-7","buffer",0.882,0.0208333333333,"true positive"]
["109-84-2","buffer",0.9196,0.0625,"poor prediction"]
["4023-65-8","buffer",0.8396,0,"poor prediction"]
["97-65-4","buffer",0.8061,0,"poor prediction"]
["7446-81-3","buffer",0.8741,0,"candidate alternative"]
["5536-61-8","buffer",0.8503,0,"candidate alternative"]
["328-42-7","buffer",0.822,0,"poor prediction"]
["113-24-6","buffer",0.8078,0,"poor prediction"]
["137-40-6","buffer",0.8503,0,"candidate alternative"]
["1704-62-7","buffer",0.8832,0,"candidate alternative"]
["139-87-7","buffer",0.971,0,"candidate alternative"]
["105-59-9","buffer",0.9748,0.0625,"functional substitute"]
["628-36-4","buffer",0.815,0,"poor prediction"]
["139-13-9","buffer",0.8139,0,"candidate alternative"]
["590-46-5","buffer",0.8051,0,"poor prediction"]
["107-43-7","buffer",0.8461,0,"poor prediction"]
["590-47-6","buffer",0.8528,0,"poor prediction"]
["526-99-8","buffer",0.9393,0,"candidate alternative"]
["7492-31-1","buffer",0.9393,0,"candidate alternative"]
["527-07-1","buffer",0.9271,0,"candidate alternative"]
["31138-65-5","buffer",0.9094,0,"candidate alternative"]
["526-95-4","buffer",0.9376,0,"candidate alternative"]
["461-05-2","buffer",0.8909,0,"candidate alternative"]
["3012-65-5","buffer",0.9418,0,"true positive"]
["77-92-9","buffer",0.9493,0.0227272727273,"candidate alternative"]
["6915-15-7","buffer",0.9486,0,"candidate alternative"]
["87-69-4","buffer",0.9625,0,"candidate alternative"]
["133-37-9","buffer",0.9625,0,"candidate alternative"]
["10326-41-7","buffer",0.9026,0.0625,"functional substitute"]
["563-41-7","buffer",0.861,0,"poor prediction"]
["546-88-3","buffer",0.8015,0.0625,"poor prediction"]
["1111-78-0","buffer",0.9356,0,"true positive"]
["97-59-6","buffer",0.8243,0.0416666666667,"functional substitute"]
["102-81-8","buffer",0.8147,0,"true positive"]
["102-79-4","buffer",0.9397,0,"true positive"]
["5856-63-3","buffer",0.8206,0,"candidate alternative"]
["115-70-8","buffer",0.8305,0,"candidate alternative"]
["124-68-5","buffer",0.8741,0,"candidate alternative"]
["78-96-6","buffer",0.8089,0,"candidate alternative"]
["141-43-5","buffer",0.9394,0,"candidate alternative"]
["929-06-6","buffer",0.8717,0,"candidate alternative"]
["126-11-4","buffer",0.8427,0.03125,"poor prediction"]
["4620-70-6","buffer",0.8808,0,"candidate alternative"]
["109-83-1","buffer",0.9693,0,"true positive"]
["140-95-4","buffer",0.8123,0,"poor prediction"]
["62-74-8","buffer",0.8847,0,"poor prediction"]
["16045-92-4","buffer",0.8348,0,"poor prediction"]
["3926-62-3","buffer",0.8461,0,"poor prediction"]
["67-52-7","buffer",0.822,0,"candidate alternative"]
["496-46-8","buffer",0.8222,0,"poor prediction"]
["14721-76-7","buffer",0.8089,0,"poor prediction"]
["110-73-6","buffer",0.9716,0.0625,"true positive"]
["111-42-2","buffer",0.9464,0,"candidate alternative"]
["76-87-9","catalyst",0.8351,0.75,"poor prediction"]
["2638-94-0","catalyst",0.8657,0,"true positive"]
["103-83-3","catalyst",0.805,0,"true positive"]
["78-67-1","catalyst",0.8462,0,"true positive"]
["78-11-5","catalyst",0.8142,0,"poor prediction"]
["75-57-0","catalyst",0.807,0,"true positive"]
["71-91-0","catalyst",0.896,0,"true positive"]
["947-02-4","catalyst",0.8193,0,"poor prediction"]
["95-32-9","catalyst",0.8912,0.21875,"functional substitute"]
["102-77-2","catalyst",0.9199,0.125,"true positive"]
["21564-17-0","catalyst",0.9165,0.4375,"functional substitute"]
["95-31-8","catalyst",0.9642,0.125,"true positive"]
["120-78-5","catalyst",0.9293,0,"true positive"]
["94-37-1","catalyst",0.8192,0.25,"functional substitute"]
["614-45-9","catalyst",0.9486,0,"true positive"]
["95-33-0","catalyst",0.9489,0.181818181818,"true positive"]
["137-29-1","catalyst",0.9548,0.5,"functional substitute"]
["137-30-4","catalyst",0.9733,0.71875,"true positive"]
["14324-55-1","catalyst",0.9603,0.6875,"true positive"]
["8018-01-7","catalyst",0.8823,0,"candidate alternative"]
["12427-38-2","catalyst",0.8823,0,"candidate alternative"]
["97-74-5","catalyst",0.9133,0.270833333333,"true positive"]
["137-26-8","catalyst",0.9276,0.291666666667,"true positive"]
["97-77-8","catalyst",0.8176,0.229166666667,"functional substitute"]
["280-57-9","catalyst",0.8119,0,"true positive"]
["56-93-9","catalyst",0.848,0.03125,"true positive"]
["1949-20-8","catalyst",0.8325,0,"candidate alternative"]
["900-95-8","catalyst",0.8483,0.75,"functional substitute"]
["4979-32-2","catalyst",0.8956,0,"true positive"]
["77-58-7","catalyst",0.8639,0,"true positive"]
["80-15-9","catalyst",0.9063,0,"true positive"]
["4712-55-4","catalyst",0.858,0.0625,"true positive"]
["121-69-7","catalyst",0.8866,0.03125,"true positive"]
["91-66-7","catalyst",0.8659,0.03125,"true positive"]
["99-97-8","catalyst",0.8497,0.0625,"true positive"]
["110-82-7","catalyst",0.814,0,"true positive"]
["109-99-9","catalyst",0.8042,0,"true positive"]
["110-54-3","catalyst",0.8689,0,"true positive"]
["142-82-5","catalyst",0.8209,0.0625,"true positive"]
["109-66-0","catalyst",0.8654,0.0357142857143,"true positive"]
["3115-68-2","catalyst",0.849,0.0625,"true positive"]
["2304-30-5","catalyst",0.8463,0.0625,"true positive"]
["1067-33-0","catalyst",0.8824,0.25,"true positive"]
["78-63-7","catalyst",0.985,0,"true positive"]
["94-36-0","catalyst",0.9368,0,"true positive"]
["13472-08-7","catalyst",0.8712,0,"true positive"]
["56375-79-2","catalyst",0.9169,0,"true positive"]
["1643-19-2","catalyst",0.8963,0.0625,"true positive"]
["1941-30-6","catalyst",0.8659,0,"candidate alternative"]
["2094-98-6","catalyst",0.8915,0,"true positive"]
["6425-39-4","catalyst",0.8311,0,"true positive"]
["533-74-4","catalyst",0.8014,0.15625,"poor prediction"]
["791-28-6","catalyst",0.8523,0,"candidate alternative"]
["838-85-7","catalyst",0.8455,0,"candidate alternative"]
["1571-33-1","catalyst",0.8482,0,"true positive"]
["102-06-7","catalyst",0.8956,0.15625,"true positive"]
["102-08-9","catalyst",0.909,0.0625,"true positive"]
["80-43-3","catalyst",0.9349,0.125,"true positive"]
["34443-12-4","catalyst",0.9617,0,"true positive"]
["7077-34-1","catalyst",0.8192,0,"poor prediction"]
["110-05-4","catalyst",0.9642,0,"true positive"]
["62-33-9","chelator",0.999,0,"true positive"]
["142-73-4","chelator",0.9071,0,"candidate alternative"]
["139-13-9","chelator",0.992,0,"candidate alternative"]
["67-42-5","chelator",0.9606,0.125,"functional substitute"]
["120066-54-8","chelator",0.899,0.0714285714286,"poor prediction"]
["67-43-6","chelator",0.9978,0.125,"true positive"]
["60-00-4","chelator",0.999,0,"candidate alternative"]
["526-99-8","chelator",0.8875,0,"true positive"]
["7492-31-1","chelator",0.8875,0,"candidate alternative"]
["527-07-1","chelator",0.888,0,"candidate alternative"]
["31138-65-5","chelator",0.888,0,"true positive"]
["526-95-4","chelator",0.888,0,"candidate alternative"]
["4408-78-0","chelator",0.9424,0,"candidate alternative"]
["72-19-5","chelator",0.8142,0,"poor prediction"]
["312-84-5","chelator",0.8115,0,"poor prediction"]
["299-27-4","chelator",0.888,0,"candidate alternative"]
["407-41-0","chelator",0.8724,0,"poor prediction"]
["16672-87-0","chelator",0.8573,0,"poor prediction"]
["26016-98-8","chelator",0.8979,0.0833333333333,"poor prediction"]
["1984-15-2","chelator",0.9321,0,"candidate alternative"]
["6419-19-8","chelator",0.9718,0,"candidate alternative"]
["96-82-2","chelator",0.8475,0,"candidate alternative"]
["7414-83-7","chelator",0.9401,0,"true positive"]
["2809-21-4","chelator",0.9401,0,"candidate alternative"]
["2781-11-5","chelator",0.8387,0,"poor prediction"]
["60668-24-8","chelator",0.8402,0,"poor prediction"]
["56-40-6","chelator",0.8039,0,"poor prediction"]
["338-69-2","chelator",0.8065,0,"poor prediction"]
["1783-96-6","chelator",0.8555,0,"candidate alternative"]
["40391-99-9","chelator",0.8267,0,"poor prediction"]
["633-96-5","colorant",0.9976,0.0625,"true positive"]
["96-50-4","colorant",0.8542,0.0357142857143,"true positive"]
["2783-94-0","colorant",0.9999,0.03125,"true positive"]
["915-67-3","colorant",0.9989,0.0357142857143,"true positive"]
["1936-15-8","colorant",0.9974,0,"true positive"]
["91-68-9","colorant",0.8431,0.125,"true positive"]
["62-53-3","colorant",0.9122,0,"true positive"]
["371-40-4","colorant",0.96,0,"candidate alternative"]
["118-88-7","colorant",0.986,0,"candidate alternative"]
["106-40-1","colorant",0.983,0.125,"candidate alternative"]
["108-42-9","colorant",0.9951,0,"true positive"]
["106-47-8","colorant",0.9951,0.125,"true positive"]
["95-76-1","colorant",0.9684,0.0625,"candidate alternative"]
["626-43-7","colorant",0.9679,0.03125,"candidate alternative"]
["95-82-9","colorant",0.984,0.0625,"true positive"]
["554-00-7","colorant",0.9664,0,"candidate alternative"]
["5850-86-2","colorant",0.9861,0.0625,"candidate alternative"]
["95-51-2","colorant",0.9796,0,"candidate alternative"]
["3861-73-2","colorant",0.9883,0.166666666667,"functional substitute"]
["119-40-4","colorant",0.9906,0,"true positive"]
["116-81-4","colorant",0.9938,0.0625,"true positive"]
["88-51-7","colorant",0.9863,0,"candidate alternative"]
["130-17-6","colorant",0.9871,0.25,"true positive"]
["81-11-8","colorant",0.9772,0,"candidate alternative"]
["63133-82-4","colorant",0.9465,0,"candidate alternative"]
["6373-74-6","colorant",0.9733,0,"candidate alternative"]
["101-11-1","colorant",0.8941,0,"candidate alternative"]
["2353-45-9","colorant",0.9798,0.1875,"true positive"]
["3087-16-9","colorant",0.9851,0.166666666667,"true positive"]
["3520-42-1","colorant",0.9601,0.125,"true positive"]
["3844-45-9","colorant",0.9824,0.25,"true positive"]
["4680-78-8","colorant",0.9724,0,"candidate alternative"]
["129-17-9","colorant",0.9811,0.25,"true positive"]
["68238-36-8","colorant",0.9811,0,"candidate alternative"]
["67786-14-5","colorant",0.9609,0,"candidate alternative"]
["992-59-6","colorant",0.9282,0.3125,"functional substitute"]
["573-58-0","colorant",0.9375,0.178571428571,"functional substitute"]
["6258-06-6","colorant",0.995,0.0625,"true positive"]
["1937-37-7","colorant",0.9203,0.0625,"candidate alternative"]
["92-70-6","colorant",0.819,0.15625,"true positive"]
["95-69-2","colorant",0.989,0.0625,"true positive"]
["95-74-9","colorant",0.9907,0,"candidate alternative"]
["2835-95-2","colorant",0.8877,0.0625,"true positive"]
["123-30-8","colorant",0.934,0.340909090909,"true positive"]
["95-55-6","colorant",0.9058,0.3125,"functional substitute"]
["591-27-5","colorant",0.9427,0,"true positive"]
["2840-28-0","colorant",0.9624,0,"candidate alternative"]
["133-90-4","colorant",0.9574,0,"candidate alternative"]
["6358-07-2","colorant",0.9411,0.0625,"candidate alternative"]
["95-85-2","colorant",0.9662,0.1875,"true positive"]
["5930-28-9","colorant",0.9345,0.125,"candidate alternative"]
["96-91-3","colorant",0.9202,0,"candidate alternative"]
["119-34-6","colorant",0.9667,0.0625,"candidate alternative"]
["99-57-0","colorant",0.979,0.03125,"true positive"]
["121-88-0","colorant",0.9753,0.0625,"true positive"]
["22987-10-6","colorant",0.8213,0,"true positive"]
["122-80-5","colorant",0.9917,0,"true positive"]
["102-28-3","colorant",0.9963,0,"true positive"]
["6375-47-9","colorant",0.9927,0.03125,"true positive"]
["127-77-5","colorant",0.9486,0,"candidate alternative"]
["104-22-3","colorant",0.9318,0,"candidate alternative"]
["70693-59-3","colorant",0.9138,0.0625,"true positive"]
["547-44-4","colorant",0.9405,0.1875,"functional substitute"]
["144-80-9","colorant",0.9417,0,"candidate alternative"]
["3337-71-1","colorant",0.9603,0,"candidate alternative"]
["2835-99-6","colorant",0.8742,0.1875,"functional substitute"]
["127-71-9","colorant",0.9339,0,"candidate alternative"]
["2835-68-9","colorant",0.9512,0.0625,"candidate alternative"]
["88-68-6","colorant",0.9562,0,"candidate alternative"]
["19406-86-1","colorant",0.9481,0,"candidate alternative"]
["785-30-8","colorant",0.9216,0,"candidate alternative"]
["30391-89-0","colorant",0.8928,0,"candidate alternative"]
["17026-81-2","colorant",0.9364,0.0625,"candidate alternative"]
["80-74-0","colorant",0.9218,0,"candidate alternative"]
["95-84-1","colorant",0.8694,0.25,"functional substitute"]
["137-09-7","colorant",0.8421,0,"candidate alternative"]
["521-31-3","colorant",0.8139,0,"poor prediction"]
["104-94-9","colorant",0.9893,0.0625,"true positive"]
["536-90-3","colorant",0.9817,0.0625,"candidate alternative"]
["90-04-0","colorant",0.9813,0.03125,"true positive"]
["2735-04-8","colorant",0.985,0,"true positive"]
["621-33-0","colorant",0.9317,0.0625,"candidate alternative"]
["94-70-2","colorant",0.9263,0,"candidate alternative"]
["106-49-0","colorant",0.9061,0.03125,"true positive"]
["156-43-4","colorant",0.9538,0.0625,"true positive"]
["603-83-8","colorant",0.9879,0,"candidate alternative"]
["99-55-8","colorant",0.9875,0.0625,"true positive"]
["119-32-4","colorant",0.97,0.0625,"candidate alternative"]
["89-62-3","colorant",0.9608,0.0625,"candidate alternative"]
["578-46-1","colorant",0.9517,0,"candidate alternative"]
["87-60-5","colorant",0.9907,0,"candidate alternative"]
["99-52-5","colorant",0.9854,0,"candidate alternative"]
["95-79-4","colorant",0.9897,0,"true positive"]
["108-44-1","colorant",0.8838,0,"candidate alternative"]
["102-50-1","colorant",0.9722,0.0625,"candidate alternative"]
["535-87-5","colorant",0.9116,0,"candidate alternative"]
["619-17-0","colorant",0.9684,0.03125,"candidate alternative"]
["150-13-0","colorant",0.814,0,"candidate alternative"]
["118-92-3","colorant",0.8102,0,"candidate alternative"]
["6219-89-2","colorant",0.8521,0.125,"candidate alternative"]
["95-68-1","colorant",0.96,0.0625,"true positive"]
["95-53-4","colorant",0.8986,0,"true positive"]
["87-62-7","colorant",0.9523,0.03125,"candidate alternative"]
["95-64-7","colorant",0.9617,0.0625,"candidate alternative"]
["87-59-2","colorant",0.9474,0,"candidate alternative"]
["95-78-3","colorant",0.9438,0.0625,"candidate alternative"]
["137-17-7","colorant",0.9507,0,"true positive"]
["16452-01-0","colorant",0.9656,0.0625,"candidate alternative"]
["120-71-8","colorant",0.9709,0.03125,"true positive"]
["108-69-0","colorant",0.9413,0.0625,"candidate alternative"]
["52298-44-9","colorant",0.9265,0,"candidate alternative"]
["16712-64-4","colorant",0.8434,0,"true positive"]
["89-57-6","colorant",0.8074,0,"candidate alternative"]
["611-06-3","colorant",0.8147,0,"candidate alternative"]
["350-30-1","colorant",0.8536,0,"candidate alternative"]
["446-35-5","colorant",0.8338,0,"candidate alternative"]
["97-00-7","colorant",0.875,0.5625,"true positive"]
["70-34-8","colorant",0.8153,0.214285714286,"functional substitute"]
["605-71-0","colorant",0.8001,0,"poor prediction"]
["602-38-0","colorant",0.8001,0.125,"poor prediction"]
["88-73-3","colorant",0.8354,0,"candidate alternative"]
["121-73-3","colorant",0.8479,0,"candidate alternative"]
["100-00-5","colorant",0.8317,0,"candidate alternative"]
["102-36-3","colorant",0.837,0.125,"candidate alternative"]
["104-12-1","colorant",0.9247,0.0625,"candidate alternative"]
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["15332-99-7","crosslinker",0.9358,0,"true positive"]
["1009-93-4","crosslinker",0.8456,0,"poor prediction"]
["4130-08-9","crosslinker",0.9909,0,"true positive"]
["2768-02-7","crosslinker",0.9758,0,"true positive"]
["1067-53-4","crosslinker",0.9643,0,"candidate alternative"]
["2530-85-0","crosslinker",0.9904,0,"true positive"]
["7351-61-3","crosslinker",0.8399,0,"candidate alternative"]
["23779-32-0","crosslinker",0.9818,0,"true positive"]
["78-08-0","crosslinker",0.9768,0,"true positive"]
["541-02-6","emollient",0.8942,0,"true positive"]
["142-18-7","emollient",0.8945,0.0357142857143,"true positive"]
["22047-49-0","emollient",0.9732,0,"candidate alternative"]
["79-81-2","emollient",0.8575,0,"candidate alternative"]
["10595-72-9","emollient",0.9055,0,"candidate alternative"]
["589-68-4","emollient",0.9377,0,"true positive"]
["141-23-1","emollient",0.9829,0,"true positive"]
["142-91-6","emollient",0.9871,0,"candidate alternative"]
["1338-43-8","emollient",0.8367,0,"candidate alternative"]
["141-24-2","emollient",0.9683,0,"true positive"]
["628-97-7","emollient",0.98,0.0625,"functional substitute"]
["112-39-0","emollient",0.9455,0.0625,"functional substitute"]
["124-06-1","emollient",0.9244,0,"candidate alternative"]
["124-10-7","emollient",0.9138,0,"true positive"]
["110-27-0","emollient",0.9593,0.0208333333333,"functional substitute"]
["556-67-2","emollient",0.8242,0,"true positive"]
["123-94-4","emollient",0.9443,0,"candidate alternative"]
["103-23-1","emollient",0.884,0.03125,"functional substitute"]
["33189-72-9","emollient",0.8511,0,"candidate alternative"]
["2432-87-3","emollient",0.9775,0,"candidate alternative"]
["3319-31-1","emollient",0.8921,0.03125,"true positive"]
["111-62-6","emollient",0.9596,0,"candidate alternative"]
["112-62-9","emollient",0.9244,0.0625,"functional substitute"]
["1191-41-9","emollient",0.9351,0.1875,"functional substitute"]
["112-63-0","emollient",0.8799,0.15625,"functional substitute"]
["20711-10-8","emollient",0.8511,0,"candidate alternative"]
["142-16-5","emollient",0.9605,0.03125,"true positive"]
["41395-83-9","emollient",0.974,0,"candidate alternative"]
["109-31-9","emollient",0.9719,0,"candidate alternative"]
["538-23-8","emollient",0.9547,0,"true positive"]
["109-43-3","emollient",0.9381,0,"candidate alternative"]
["2917-73-9","emollient",0.874,0,"candidate alternative"]
["110-33-8","emollient",0.916,0,"true positive"]
["142-77-8","emollient",0.974,0,"candidate alternative"]
["122-62-3","emollient",0.9559,0,"candidate alternative"]
["103-24-2","emollient",0.9568,0.03125,"functional substitute"]
["141-19-5","emollient",0.8146,0,"candidate alternative"]
["82469-79-2","emollient",0.9213,0,"candidate alternative"]
["555-44-2","emollient",0.9905,0,"true positive"]
["111-60-4","emollient",0.9702,0.0833333333333,"true positive"]
["111-60-4","emulsifier",0.9063,0.0833333333333,"candidate alternative"]
["112-92-5","emulsifier",0.8326,0,"poor prediction"]
["123-94-4","emulsifier",0.9065,0,"poor prediction"]
["661-19-8","emulsifier",0.8754,0,"poor prediction"]
["544-62-7","emulsifier",0.8938,0.0625,"poor prediction"]
["137-66-6","emulsifier",0.804,0,"poor prediction"]
["26266-57-9","emulsifier",0.8256,0,"candidate alternative"]
["22047-49-0","emulsifier",0.8063,0,"poor prediction"]
["553-08-2","emulsifier",0.8007,0.1875,"poor prediction"]
["25507-04-4","emulsifier",0.8513,0,"poor prediction"]
["124-03-8","emulsifier",0.8118,0.6875,"functional substitute"]
["112-03-8","emulsifier",0.8593,0.6875,"functional substitute"]
["24602-86-6","emulsifier",0.8195,0,"poor prediction"]
["544-31-0","emulsifier",0.9016,0,"candidate alternative"]
["3179-80-4","emulsifier",0.8226,0.625,"functional substitute"]
["1120-04-3","emulsifier",0.8504,0.1875,"poor prediction"]
["5116-94-9","emulsifier",0.8447,0.25,"functional substitute"]
["3055-99-0","emulsifier",0.8923,0.3125,"true positive"]
["57-11-4","emulsifier",0.8209,0.0833333333333,"candidate alternative"]
["63-89-8","emulsifier",0.8373,0,"poor prediction"]
["18656-38-7","emulsifier",0.8068,0,"poor prediction"]
["102-87-4","emulsifier",0.8294,0,"candidate alternative"]
["124-28-7","emulsifier",0.947,0,"true positive"]
["112-69-6","emulsifier",0.9151,0,"true positive"]
["27668-52-6","emulsifier",0.8581,0.166666666667,"poor prediction"]
["666-99-9","emulsifier",0.837,0.25,"poor prediction"]
["18924-66-8","emulsifier",0.8817,0.5,"functional substitute"]
["143-27-1","emulsion stabilizer",0.8191,0,"poor prediction"]
["3825-26-1","emulsion stabilizer",0.8201,0.0625,"functional substitute"]
["1120-01-0","emulsion stabilizer",0.832,0,"poor prediction"]
["1191-50-0","emulsion stabilizer",0.8054,0.0625,"poor prediction"]
["1120-04-3","emulsion stabilizer",0.8622,0.1875,"poor prediction"]
["18263-25-7","emulsion stabilizer",0.9005,0.25,"functional substitute"]
["3055-99-0","emulsion stabilizer",0.8554,0.3125,"poor prediction"]
["4536-30-5","emulsion stabilizer",0.8754,0.1,"functional substitute"]
["4568-28-9","emulsion stabilizer",0.9437,0.1875,"functional substitute"]
["57-11-4","emulsion stabilizer",0.9437,0.0833333333333,"functional substitute"]
["124-28-7","emulsion stabilizer",0.8524,0,"poor prediction"]
["112-69-6","emulsion stabilizer",0.8211,0,"poor prediction"]
["666-99-9","emulsion stabilizer",0.94,0.25,"functional substitute"]
["106-14-9","emulsion stabilizer",0.8585,0.0625,"functional substitute"]
["18924-66-8","emulsion stabilizer",0.889,0.5,"functional substitute"]
["1541-67-9","emulsion stabilizer",0.8305,0.5625,"functional substitute"]
["544-31-0","emulsion stabilizer",0.8852,0,"poor prediction"]
["120-40-1","emulsion stabilizer",0.8498,0.0833333333333,"poor prediction"]
["1119-97-7","emulsion stabilizer",0.8163,0.5,"poor prediction"]
["4574-04-3","emulsion stabilizer",0.8163,0.375,"poor prediction"]
["112-03-8","emulsion stabilizer",0.8729,0.6875,"poor prediction"]
["57-09-0","emulsion stabilizer",0.8429,0.46875,"poor prediction"]
["307-24-4","emulsion stabilizer",0.807,0,"candidate alternative"]
["375-85-9","emulsion stabilizer",0.8201,0,"candidate alternative"]
["335-67-1","emulsion stabilizer",0.8201,0.0625,"functional substitute"]
["2058-94-8","emulsion stabilizer",0.8195,0.0625,"functional substitute"]
["112-30-1","emulsion stabilizer",0.8136,0,"candidate alternative"]
["112-42-5","emulsion stabilizer",0.8136,0,"candidate alternative"]
["629-78-7","emulsion stabilizer",0.8684,0.0625,"functional substitute"]
["544-76-3","emulsion stabilizer",0.8684,0.0625,"functional substitute"]
["629-62-9","emulsion stabilizer",0.8411,0,"candidate alternative"]
["629-59-4","emulsion stabilizer",0.8411,0,"candidate alternative"]
["124-25-4","emulsion stabilizer",0.8287,0.0625,"functional substitute"]
["7320-37-8","emulsion stabilizer",0.8223,0,"poor prediction"]
["112-88-9","emulsion stabilizer",0.8077,0,"poor prediction"]
["355-42-0","emulsion stabilizer",0.8379,0,"candidate alternative"]
["124-03-8","emulsion stabilizer",0.8453,0.6875,"poor prediction"]
["678-26-2","emulsion stabilizer",0.8226,0,"candidate alternative"]
["754-91-6","emulsion stabilizer",0.8252,0.1875,"functional substitute"]
["4151-50-2","emulsion stabilizer",0.8059,0,"candidate alternative"]
["678-39-7","emulsion stabilizer",0.842,0,"candidate alternative"]
["647-42-7","emulsion stabilizer",0.8423,0,"candidate alternative"]
["2795-39-3","emulsion stabilizer",0.8186,0,"candidate alternative"]
["1763-23-1","emulsion stabilizer",0.8186,0.0625,"functional substitute"]
["3871-99-6","emulsion stabilizer",0.8192,0,"candidate alternative"]
["29420-49-3","emulsion stabilizer",0.8047,0,"candidate alternative"]
["335-76-2","emulsion stabilizer",0.8195,0.0625,"functional substitute"]
["375-95-1","emulsion stabilizer",0.8195,0.0625,"functional substitute"]
["423-55-2","emulsion stabilizer",0.8373,0,"candidate alternative"]
["112-02-7","emulsion stabilizer",0.8429,0.375,"poor prediction"]
["123-03-5","emulsion stabilizer",0.8155,0.625,"poor prediction"]
["544-63-8","emulsion stabilizer",0.9017,0,"candidate alternative"]
["36653-82-4","emulsion stabilizer",0.9737,0,"candidate alternative"]
["112-72-1","emulsion stabilizer",0.9641,0.03125,"true positive"]
["112-53-8","emulsion stabilizer",0.9027,0,"candidate alternative"]
["112-70-9","emulsion stabilizer",0.9027,0.03125,"true positive"]
["1002-84-2","emulsion stabilizer",0.9017,0.0625,"functional substitute"]
["57-10-3","emulsion stabilizer",0.9247,0.0625,"functional substitute"]
["112-92-5","emulsion stabilizer",0.9869,0,"candidate alternative"]
["638-53-9","emulsion stabilizer",0.813,0.125,"functional substitute"]
["32360-05-7","emulsion stabilizer",0.8027,0,"candidate alternative"]
["7047-84-9","emulsion stabilizer",0.9613,0.0833333333333,"true positive"]
["27668-52-6","emulsion stabilizer",0.84,0.166666666667,"poor prediction"]
["83-46-5","emulsion stabilizer",0.8642,0,"true positive"]
["57-88-5","emulsion stabilizer",0.8811,0,"true positive"]
["140-72-7","emulsion stabilizer",0.8155,0.5625,"poor prediction"]
["143-07-7","emulsion stabilizer",0.813,0.0625,"functional substitute"]
["638-65-3","emulsion stabilizer",0.8928,0.0625,"functional substitute"]
["629-76-5","emulsion stabilizer",0.9641,0,"true positive"]
["112-82-3","emulsion stabilizer",0.8685,0,"poor prediction"]
["77-58-7","emulsion stabilizer",0.82,0,"poor prediction"]
["22047-49-0","emulsion stabilizer",0.8028,0,"candidate alternative"]
["589-68-4","emulsion stabilizer",0.826,0,"candidate alternative"]
["544-62-7","emulsion stabilizer",0.9644,0.0625,"true positive"]
["661-19-8","emulsion stabilizer",0.9869,0,"true positive"]
["3386-33-2","emulsion stabilizer",0.8963,0,"poor prediction"]
["111-60-4","emulsion stabilizer",0.8804,0.0833333333333,"functional substitute"]
["505-52-2","emulsion stabilizer",0.813,0.03125,"candidate alternative"]
["123-94-4","emulsion stabilizer",0.8752,0,"candidate alternative"]
["112-71-0","emulsion stabilizer",0.8428,0,"poor prediction"]
["2425-54-9","emulsion stabilizer",0.8425,0,"poor prediction"]
["544-77-4","emulsion stabilizer",0.8685,0,"poor prediction"]
["4860-03-1","emulsion stabilizer",0.8682,0,"poor prediction"]
["3508-00-7","emulsion stabilizer",0.8685,0,"poor prediction"]
["629-72-1","emulsion stabilizer",0.8428,0,"poor prediction"]
["112-15-2","film forming agent",0.9437,0,"true positive"]
["111-15-9","film forming agent",0.8862,0,"true positive"]
["112-34-5","film forming agent",0.9203,0,"true positive"]
["923-26-2","film forming agent",0.8543,0,"candidate alternative"]
["868-77-9","film forming agent",0.9332,0,"true positive"]
["2358-84-1","film forming agent",0.8468,0,"candidate alternative"]
["21282-97-3","film forming agent",0.8019,0,"poor prediction"]
["55934-93-5","film forming agent",0.8117,0,"true positive"]
["112-59-4","film forming agent",0.8307,0,"candidate alternative"]
["96-05-9","film forming agent",0.8055,0.03125,"functional substitute"]
["124-17-4","film forming agent",0.9447,0,"true positive"]
["112-07-2","film forming agent",0.9379,0,"true positive"]
["18268-70-7","film forming agent",0.8256,0,"candidate alternative"]
["94-28-0","film forming agent",0.8594,0,"true positive"]
["141-17-3","film forming agent",0.8006,0.03125,"functional substitute"]
["1559-35-9","film forming agent",0.8232,0,"candidate alternative"]
["29387-86-8","film forming agent",0.8524,0,"candidate alternative"]
["111-90-0","film forming agent",0.8436,0,"true positive"]
["6881-94-3","film forming agent",0.8114,0,"candidate alternative"]
["5131-66-8","film forming agent",0.9158,0,"true positive"]
["29911-27-1","film forming agent",0.92,0,"true positive"]
["111-76-2","film forming agent",0.9215,0,"true positive"]
["4655-34-9","film forming agent",0.8803,0,"candidate alternative"]
["80-39-7","film forming agent",0.8128,0,"true positive"]
["29911-28-2","film forming agent",0.9263,0,"true positive"]
["111-21-7","film forming agent",0.8535,0,"candidate alternative"]
["97-88-1","film forming agent",0.9293,0.0625,"true positive"]
["142-09-6","film forming agent",0.8108,0,"candidate alternative"]
["688-84-6","film forming agent",0.8932,0,"true positive"]
["7534-94-3","film forming agent",0.8622,0.03125,"true positive"]
["112-25-4","film forming agent",0.887,0,"true positive"]
["2455-24-5","film forming agent",0.9242,0,"true positive"]
["1189-08-8","film forming agent",0.8192,0,"candidate alternative"]
["2274-11-5","film forming agent",0.8129,0.375,"functional substitute"]
["2370-63-0","film forming agent",0.9562,0,"candidate alternative"]
["97-90-5","film forming agent",0.8566,0,"candidate alternative"]
["4074-88-8","film forming agent",0.8664,0.5,"functional substitute"]
["106-91-2","film forming agent",0.8961,0,"poor prediction"]
["7085-85-0","film forming agent",0.9372,0.03125,"true positive"]
["1569-01-3","film forming agent",0.8422,0.0625,"true positive"]
["2082-81-7","film forming agent",0.8622,0,"true positive"]
["7328-17-8","film forming agent",0.8956,0,"candidate alternative"]
["97-86-9","film forming agent",0.9409,0,"true positive"]
["719-32-4","flame retardant",0.9332,0,"candidate alternative"]
["133-07-3","flame retardant",0.8441,0.375,"functional substitute"]
["321-55-1","flame retardant",0.8487,0,"poor prediction"]
["27314-13-2","flame retardant",0.8022,0.09375,"poor prediction"]
["2164-17-2","flame retardant",0.8015,0,"poor prediction"]
["98730-04-2","flame retardant",0.8334,0.1875,"poor prediction"]
["61213-25-0","flame retardant",0.8678,0.125,"poor prediction"]
["142459-58-3","flame retardant",0.8951,0.125,"poor prediction"]
["369-77-7","flame retardant",0.8573,0.375,"poor prediction"]
["21440-97-1","flame retardant",0.8379,0,"candidate alternative"]
["363-17-7","flame retardant",0.8092,0.0625,"poor prediction"]
["50594-66-6","flame retardant",0.8449,0.125,"poor prediction"]
["103055-07-8","flame retardant",0.8962,0.03125,"poor prediction"]
["86479-06-3","flame retardant",0.8952,0.1875,"poor prediction"]
["116714-46-6","flame retardant",0.8728,0,"poor prediction"]
["64628-44-0","flame retardant",0.8194,0.0625,"poor prediction"]
["101463-69-8","flame retardant",0.8615,0.25,"poor prediction"]
["173584-44-6","flame retardant",0.8053,0.25,"poor prediction"]
["154598-52-4","flame retardant",0.8365,0.375,"poor prediction"]
["3736-81-0","flame retardant",0.8564,0.0625,"poor prediction"]
["15362-40-0","flame retardant",0.8851,0.3125,"functional substitute"]
["2310-17-0","flame retardant",0.8037,0.1875,"poor prediction"]
["35575-96-3","flame retardant",0.8257,0.1875,"poor prediction"]
["69806-34-4","flame retardant",0.8161,0.1875,"poor prediction"]
["2425-06-1","flame retardant",0.8295,0.5,"poor prediction"]
["115-28-6","flame retardant",0.8848,0,"candidate alternative"]
["3825-26-1","flame retardant",0.8335,0.0625,"candidate alternative"]
["85509-19-9","flame retardant",0.8776,0.28125,"poor prediction"]
["85-36-9","flame retardant",0.8184,0,"poor prediction"]
["2955-38-6","flame retardant",0.807,0.142857142857,"poor prediction"]
["22316-47-8","flame retardant",0.8249,0,"candidate alternative"]
["23950-58-5","flame retardant",0.8384,0.03125,"candidate alternative"]
["83121-18-0","flame retardant",0.8977,0,"candidate alternative"]
["35367-38-5","flame retardant",0.8376,0.0625,"candidate alternative"]
["101-20-2","flame retardant",0.8739,0.416666666667,"functional substitute"]
["88-82-4","flame retardant",0.927,0.125,"candidate alternative"]
["36734-19-7","flame retardant",0.9301,0.09375,"true positive"]
["4891-15-0","flame retardant",0.8237,0.25,"poor prediction"]
["53786-46-2","flame retardant",0.8104,0,"poor prediction"]
["32809-16-8","flame retardant",0.8094,0.125,"poor prediction"]
["10311-84-9","flame retardant",0.841,0.25,"functional substitute"]
["732-11-6","flame retardant",0.8583,0,"true positive"]
["86811-58-7","flame retardant",0.8302,0,"poor prediction"]
["71422-67-8","flame retardant",0.8382,0.1875,"poor prediction"]
["83164-33-4","flame retardant",0.8275,0,"poor prediction"]
["64902-72-3","flame retardant",0.8059,0.0625,"poor prediction"]
["3278-89-5","flame retardant",0.9621,0,"true positive"]
["35554-44-0","flame retardant",0.8058,0.375,"poor prediction"]
["470-90-6","flame retardant",0.9115,0.25,"poor prediction"]
["961-11-5","flame retardant",0.9355,0.3125,"poor prediction"]
["22248-79-9","flame retardant",0.9355,0.3125,"poor prediction"]
["57018-04-9","flame retardant",0.8387,0.125,"poor prediction"]
["41424-36-6","flame retardant",0.8726,0,"candidate alternative"]
["393-75-9","flame retardant",0.8282,0.0625,"poor prediction"]
["29091-09-6","flame retardant",0.9049,0.4375,"poor prediction"]
["42874-03-3","flame retardant",0.9136,0.09375,"poor prediction"]
["15457-05-3","flame retardant",0.8695,0.25,"poor prediction"]
["112281-77-3","flame retardant",0.9264,0.375,"poor prediction"]
["88485-37-4","flame retardant",0.8132,0,"poor prediction"]
["68-36-0","flame retardant",0.8763,0.0625,"candidate alternative"]
["13014-18-1","flame retardant",0.8595,0,"candidate alternative"]
["13014-24-9","flame retardant",0.8641,0.0625,"candidate alternative"]
["523-27-3","flame retardant",0.8978,0.125,"poor prediction"]
["5436-43-1","flame retardant",0.9966,0.125,"true positive"]
["60348-60-9","flame retardant",0.9977,0,"true positive"]
["17824-83-8","flame retardant",0.8327,0.375,"functional substitute"]
["143-50-0","flame retardant",0.8478,0.71875,"poor prediction"]
["6378-25-2","flame retardant",0.8971,0,"candidate alternative"]
["116255-48-2","flame retardant",0.9372,0.1875,"functional substitute"]
["72178-02-0","flame retardant",0.8074,0.09375,"poor prediction"]
["82097-50-5","flame retardant",0.8234,0,"poor prediction"]
["87-10-5","flame retardant",0.818,0.416666666667,"functional substitute"]
["1154-59-2","flame retardant",0.8502,0.4375,"functional substitute"]
["4776-06-1","flame retardant",0.8257,0.464285714286,"poor prediction"]
["22662-39-1","flame retardant",0.8257,0.125,"candidate alternative"]
["50-31-7","flame retardant",0.8743,0.0625,"candidate alternative"]
["152-53-4","flame retardant",0.8005,0.166666666667,"poor prediction"]
["60207-31-0","flame retardant",0.903,0,"candidate alternative"]
["31036-80-3","flame retardant",0.8749,0,"candidate alternative"]
["74115-24-5","flame retardant",0.8739,0.03125,"poor prediction"]
["4462-55-9","flame retardant",0.9045,0,"poor prediction"]
["101-27-9","flame retardant",0.9109,0.3125,"functional substitute"]
["330-55-2","flame retardant",0.8781,0.125,"candidate alternative"]
["13360-45-7","flame retardant",0.9002,0.125,"candidate alternative"]
["116-29-0","flame retardant",0.9737,0.1875,"functional substitute"]
["80-33-1","flame retardant",0.8777,0.0625,"poor prediction"]
["80-07-9","flame retardant",0.8926,0.1875,"functional substitute"]
["133855-98-8","flame retardant",0.8627,0.1875,"poor prediction"]
["119446-68-3","flame retardant",0.8802,0.375,"functional substitute"]
["1861-32-1","flame retardant",0.9348,0.03125,"candidate alternative"]
["2385-85-5","flame retardant",0.9521,0,"poor prediction"]
["1024-57-3","flame retardant",0.9274,0.0625,"candidate alternative"]
["52756-22-6","flame retardant",0.8431,0.3125,"poor prediction"]
["19666-30-9","flame retardant",0.8777,0.25,"poor prediction"]
["128639-02-1","flame retardant",0.828,0,"poor prediction"]
["67747-09-5","flame retardant",0.8472,0.28125,"poor prediction"]
["68359-37-5","flame retardant",0.8193,0.0625,"candidate alternative"]
["118712-89-3","flame retardant",0.8481,0,"candidate alternative"]
["91465-08-6","flame retardant",0.8147,0,"poor prediction"]
["79538-32-2","flame retardant",0.8486,0,"poor prediction"]
["80-06-8","flame retardant",0.8074,0.25,"functional substitute"]
["140-57-8","flame retardant",0.8034,0,"poor prediction"]
["153233-91-1","flame retardant",0.8688,0.25,"functional substitute"]
["66246-88-6","flame retardant",0.8288,0.25,"functional substitute"]
["66230-04-4","flame retardant",0.882,0,"candidate alternative"]
["51630-58-1","flame retardant",0.882,0.0625,"true positive"]
["70124-77-5","flame retardant",0.829,0,"candidate alternative"]
["14929-11-4","flame retardant",0.8021,0,"poor prediction"]
["6928-67-2","flame retardant",0.9161,0.0625,"candidate alternative"]
["51338-27-3","flame retardant",0.9087,0,"candidate alternative"]
["299-86-5","flame retardant",0.8254,0.125,"poor prediction"]
["66441-23-4","flame retardant",0.8129,0.125,"poor prediction"]
["71283-80-2","flame retardant",0.8129,0.125,"poor prediction"]
["129630-19-9","flame retardant",0.8567,0.0625,"poor prediction"]
["42576-02-3","flame retardant",0.9081,0.3125,"functional substitute"]
["103112-35-2","flame retardant",0.9265,0.3125,"poor prediction"]
["1085-98-9","flame retardant",0.8793,0.5,"poor prediction"]
["2921-88-2","flame retardant",0.9567,0.0625,"true positive"]
["5598-13-0","flame retardant",0.9678,0.1875,"true positive"]
["5598-15-2","flame retardant",0.9477,0.3125,"functional substitute"]
["2227-13-6","flame retardant",0.9663,0.03125,"candidate alternative"]
["1825-19-0","flame retardant",0.9583,0.0625,"candidate alternative"]
["2275-14-1","flame retardant",0.8559,0.0625,"poor prediction"]
["60207-93-4","flame retardant",0.9026,0.125,"candidate alternative"]
["60207-90-1","flame retardant",0.9174,0.28125,"true positive"]
["35065-27-1","flame retardant",0.982,0,"candidate alternative"]
["41198-08-7","flame retardant",0.9165,0.125,"poor prediction"]
["34643-46-4","flame retardant",0.8813,0.125,"poor prediction"]
["3778-73-2","flame retardant",0.813,0.0208333333333,"candidate alternative"]
["140-08-9","flame retardant",0.843,0.03125,"candidate alternative"]
["3194-55-6","flame retardant",0.9799,0.1875,"true positive"]
["3322-93-8","flame retardant",0.8058,0.0625,"candidate alternative"]
["105512-06-9","flame retardant",0.8175,0,"poor prediction"]
["4938-72-1","flame retardant",0.8792,0,"candidate alternative"]
["117718-60-2","flame retardant",0.8051,0,"poor prediction"]
["97886-45-8","flame retardant",0.819,0,"poor prediction"]
["115-86-6","flame retardant",0.8967,0.0625,"true positive"]
["513-92-8","flame retardant",0.845,0.375,"poor prediction"]
["319-84-6","flame retardant",0.9458,0,"candidate alternative"]
["58-89-9","flame retardant",0.9458,0,"true positive"]
["319-85-7","flame retardant",0.9458,0.0625,"candidate alternative"]
["608-73-1","flame retardant",0.9458,0.0454545454545,"candidate alternative"]
["75-95-6","flame retardant",0.8595,0.1875,"poor prediction"]
["54593-83-8","flame retardant",0.8961,0.0625,"poor prediction"]
["3737-41-5","flame retardant",0.8132,0.6875,"poor prediction"]
["1929-82-4","flame retardant",0.8294,0,"candidate alternative"]
["69045-78-9","flame retardant",0.8294,0,"candidate alternative"]
["69045-83-6","flame retardant",0.8705,0,"candidate alternative"]
["1134-04-9","flame retardant",0.9515,0.375,"functional substitute"]
["1715-40-8","flame retardant",0.9731,0.0625,"candidate alternative"]
["57-74-9","flame retardant",0.9863,0.5625,"functional substitute"]
["465-73-6","flame retardant",0.934,0,"candidate alternative"]
["76-44-8","flame retardant",0.9464,0.21875,"true positive"]
["959-98-8","flame retardant",0.9703,0.1875,"functional substitute"]
["115-29-7","flame retardant",0.9703,0.4375,"true positive"]
["1031-07-8","flame retardant",0.9626,0.25,"functional substitute"]
["35948-25-5","flame retardant",0.8149,0,"true positive"]
["115-27-5","flame retardant",0.9356,0,"candidate alternative"]
["298-00-0","flame retardant",0.8028,0.0625,"true positive"]
["1836-75-5","flame retardant",0.9526,0.0625,"candidate alternative"]
["546-71-4","flame retardant",0.8194,0.125,"candidate alternative"]
["13674-84-5","flame retardant",0.9907,0,"true positive"]
["6145-73-9","flame retardant",0.9888,0,"true positive"]
["115-96-8","flame retardant",0.9477,0,"true positive"]
["13674-87-8","flame retardant",0.9935,0.1875,"true positive"]
["126-72-7","flame retardant",0.977,0.28125,"functional substitute"]
["300-76-5","flame retardant",0.9148,0.21875,"functional substitute"]
["52-68-6","flame retardant",0.9066,0.0625,"poor prediction"]
["95-94-3","flame retardant",0.8217,0.03125,"candidate alternative"]
["634-66-2","flame retardant",0.8238,0,"candidate alternative"]
["608-93-5","flame retardant",0.8778,0,"candidate alternative"]
["615-54-3","flame retardant",0.8436,0,"candidate alternative"]
["20098-48-0","flame retardant",0.8412,0,"candidate alternative"]
["17700-09-3","flame retardant",0.838,0,"candidate alternative"]
["89-69-0","flame retardant",0.8495,0,"candidate alternative"]
["18708-70-8","flame retardant",0.8173,0,"candidate alternative"]
["879-39-0","flame retardant",0.9378,0,"candidate alternative"]
["117-18-0","flame retardant",0.9341,0,"candidate alternative"]
["82-68-8","flame retardant",0.9607,0.03125,"candidate alternative"]
["2463-84-5","flame retardant",0.8475,0,"candidate alternative"]
["87-82-1","flame retardant",0.9914,0.0625,"candidate alternative"]
["13473-26-2","flame retardant",0.8261,0.15625,"poor prediction"]
["1897-45-6","flame retardant",0.9119,0.59375,"functional substitute"]
["1018-71-9","flame retardant",0.8537,0.416666666667,"poor prediction"]
["28911-01-5","flame retardant",0.8464,0,"poor prediction"]
["57801-81-7","flame retardant",0.8316,0.166666666667,"poor prediction"]
["1746-01-6","flame retardant",0.9158,0.0625,"poor prediction"]
["124495-18-7","flame retardant",0.9132,0.1875,"poor prediction"]
["117-08-8","flame retardant",0.9442,0,"candidate alternative"]
["632-79-1","flame retardant",0.9668,0,"true positive"]
["17780-75-5","flame retardant",0.8007,0.125,"poor prediction"]
["23593-75-1","flame retardant",0.8191,0.46875,"poor prediction"]
["101-05-3","flame retardant",0.8191,0,"poor prediction"]
["79-95-8","flame retardant",0.8978,0.25,"functional substitute"]
["79-94-7","flame retardant",0.9359,0.333333333333,"true positive"]
["70-30-4","flame retardant",0.8847,0.5625,"functional substitute"]
["4162-45-2","flame retardant",0.894,0.5,"functional substitute"]
["25327-89-3","flame retardant",0.9567,0,"true positive"]
["21850-44-2","flame retardant",0.989,0,"true positive"]
["72-55-9","flame retardant",0.8627,0.0625,"poor prediction"]
["122453-73-0","flame retardant",0.8803,0.375,"poor prediction"]
["69806-40-2","flame retardant",0.8527,0.125,"poor prediction"]
["69-27-2","flame retardant",0.8657,0,"candidate alternative"]
["22916-47-8","flame retardant",0.8086,0,"poor prediction"]
["24169-02-6","flame retardant",0.807,0.604166666667,"poor prediction"]
["131341-86-1","flame retardant",0.8186,0.375,"poor prediction"]
["21609-90-5","flame retardant",0.9677,0.125,"candidate alternative"]
["60-51-5","flame retardant",0.8193,0,"true positive"]
["2781-11-5","flame retardant",0.8003,0,"true positive"]
["13181-17-4","flame retardant",0.8599,0.25,"functional substitute"]
["844-26-8","flame retardant",0.8606,0.125,"candidate alternative"]
["6385-58-6","flame retardant",0.8366,0.625,"functional substitute"]
["97-18-7","flame retardant",0.8842,0.541666666667,"functional substitute"]
["15599-52-7","flame retardant",0.8532,0.25,"functional substitute"]
["87-86-5","flame retardant",0.9296,0.3125,"functional substitute"]
["77501-90-7","flame retardant",0.8133,0.125,"poor prediction"]
["608-71-9","flame retardant",0.9622,0.3125,"functional substitute"]
["3380-34-5","flame retardant",0.8922,0.3125,"functional substitute"]
["118-79-6","flame retardant",0.9438,0.125,"true positive"]
["136-32-3","flame retardant",0.8348,0.1875,"functional substitute"]
["58-90-2","flame retardant",0.8857,0.25,"functional substitute"]
["4901-51-3","flame retardant",0.8915,0.4375,"functional substitute"]
["935-95-5","flame retardant",0.8859,0.3125,"functional substitute"]
["120068-37-3","flame retardant",0.8335,0.28125,"poor prediction"]
["79622-59-6","flame retardant",0.8174,0.8125,"poor prediction"]
["62924-70-3","flame retardant",0.812,0.3125,"poor prediction"]
["305-85-1","flame retardant",0.9204,0.166666666667,"functional substitute"]
["77501-63-4","flame retardant",0.849,0.15625,"poor prediction"]
["1113-02-6","flame retardant",0.8356,0,"true positive"]
["72-43-5","flame retardant",0.9431,0.25,"true positive"]
["10469-09-7","flame retardant",0.8412,0.0625,"candidate alternative"]
["2759-71-9","flame retardant",0.838,0.25,"poor prediction"]
["116-52-9","flame retardant",0.8181,0,"candidate alternative"]
["541-79-7","flame retardant",0.826,0,"candidate alternative"]
["98967-40-9","flame retardant",0.8578,0,"poor prediction"]
["145701-23-1","flame retardant",0.8723,0,"poor prediction"]
["145701-21-9","flame retardant",0.8759,0.0625,"poor prediction"]
["122836-35-5","flame retardant",0.8887,0,"poor prediction"]
["120-97-8","flame retardant",0.8689,0,"poor prediction"]
["2104-96-3","flame retardant",0.9573,0.1875,"functional substitute"]
["299-84-3","flame retardant",0.9661,0.0227272727273,"candidate alternative"]
["18181-70-9","flame retardant",0.9805,0.3125,"functional substitute"]
["118-74-1","flame retardant",0.9733,0,"true positive"]
["777-11-7","flame retardant",0.9824,0.333333333333,"functional substitute"]
["1825-21-4","flame retardant",0.9514,0,"candidate alternative"]
["2050-47-7","flame retardant",0.9355,0,"candidate alternative"]
["4824-78-6","flame retardant",0.9662,0.0625,"candidate alternative"]
["97-17-6","flame retardant",0.899,0.125,"candidate alternative"]
["115-32-2","flame retardant",0.9481,0.5,"true positive"]
["2008-39-1","flame retardant",0.8129,0,"candidate alternative"]
["2164-09-2","flame retardant",0.8161,0.21875,"poor prediction"]
["97-16-5","flame retardant",0.9214,0.125,"poor prediction"]
["87674-68-8","flame retardant",0.8434,0.107142857143,"poor prediction"]
["50471-44-8","flame retardant",0.8933,0.21875,"functional substitute"]
["72-54-8","flame retardant",0.9452,0.28125,"functional substitute"]
["50-29-3","flame retardant",0.9615,0.270833333333,"functional substitute"]
["789-02-6","flame retardant",0.9612,0.3125,"functional substitute"]
["16034-77-8","flame retardant",0.8045,0,"poor prediction"]
["115-39-9","flame retardant",0.8178,0.1875,"functional substitute"]
["26040-51-7","flame retardant",0.9358,0.0625,"true positive"]
["99-30-9","flame retardant",0.8888,0.15625,"true positive"]
["2683-43-4","flame retardant",0.8792,0,"candidate alternative"]
["53-19-0","flame retardant",0.9452,0.375,"functional substitute"]
["91-94-1","flame retardant",0.8009,0.375,"functional substitute"]
["71526-07-3","flame retardant",0.8213,0,"poor prediction"]
["1817-73-8","flame retardant",0.8389,0.0625,"candidate alternative"]
["1522-92-5","flame retardant",0.8945,0.0625,"true positive"]
["1928-47-8","flame retardant",0.8533,0,"candidate alternative"]
["5684-90-2","flame retardant",0.8124,0,"poor prediction"]
["1241-94-7","flame retardant",0.8344,0,"true positive"]
["15721-02-5","flame retardant",0.8189,0.6875,"poor prediction"]
["527-20-8","flame retardant",0.9288,0.0625,"candidate alternative"]
["2545-59-7","flame retardant",0.8291,0,"poor prediction"]
["141-97-9","flavorant",0.9167,0,"candidate alternative"]
["105-45-3","flavorant",0.9235,0,"candidate alternative"]
["3848-24-6","flavorant",0.9903,0,"candidate alternative"]
["4437-51-8","flavorant",0.9879,0,"candidate alternative"]
["78-93-3","flavorant",0.9825,0,"candidate alternative"]
["609-14-3","flavorant",0.9324,0,"candidate alternative"]
["539-88-8","flavorant",0.9728,0.0625,"functional substitute"]
["106-65-0","flavorant",0.9352,0,"candidate alternative"]
["623-15-4","flavorant",0.9817,0,"true positive"]
["106-31-0","flavorant",0.9232,0,"candidate alternative"]
["10420-33-4","flavorant",0.9335,0,"candidate alternative"]
["18835-02-4","flavorant",0.9093,0,"candidate alternative"]
["13679-70-4","flavorant",0.964,0.0625,"functional substitute"]
["623-17-6","flavorant",0.9425,0,"candidate alternative"]
["141-79-7","flavorant",0.8652,0,"candidate alternative"]
["10599-70-9","flavorant",0.9648,0,"candidate alternative"]
["110-13-4","flavorant",0.9825,0,"candidate alternative"]
["18640-74-9","flavorant",0.9869,0,"candidate alternative"]
["123-62-6","flavorant",0.9015,0,"candidate alternative"]
["13706-86-0","flavorant",0.9752,0.0625,"true positive"]
["924-16-3","flavorant",0.9144,0,"poor prediction"]
["10094-34-5","flavorant",0.825,0,"candidate alternative"]
["97-96-1","flavorant",0.8009,0,"true positive"]
["15707-23-0","flavorant",0.9956,0.125,"functional substitute"]
["96-22-0","flavorant",0.9885,0,"candidate alternative"]
["565-61-7","flavorant",0.9888,0.0625,"true positive"]
["110-12-3","flavorant",0.9888,0,"candidate alternative"]
["110-43-0","flavorant",0.9731,0.03125,"functional substitute"]
["106-68-3","flavorant",0.9838,0,"candidate alternative"]
["123-18-2","flavorant",0.9566,0,"candidate alternative"]
["2050-99-9","flavorant",0.9908,0,"candidate alternative"]
["6290-37-5","flavorant",0.898,0,"candidate alternative"]
["108-83-8","flavorant",0.9566,0.03125,"functional substitute"]
["3777-69-3","flavorant",0.9979,0.125,"functional substitute"]
["621-76-1","flavorant",0.9473,0,"candidate alternative"]
["24168-70-5","flavorant",0.9268,0,"candidate alternative"]
["1629-58-9","flavorant",0.962,0,"candidate alternative"]
["4312-99-6","flavorant",0.9689,0,"true positive"]
["2497-21-4","flavorant",0.9607,0,"true positive"]
["4643-27-0","flavorant",0.9673,0,"candidate alternative"]
["103-52-6","flavorant",0.8419,0.0625,"functional substitute"]
["103-37-7","flavorant",0.825,0,"candidate alternative"]
["646-14-0","flavorant",0.8255,0,"candidate alternative"]
["15707-24-1","flavorant",0.9956,0.0625,"functional substitute"]
["463-04-7","flavorant",0.9259,0,"poor prediction"]
["1124-11-4","flavorant",0.9545,0,"candidate alternative"]
["3268-49-3","flavorant",0.9752,0,"candidate alternative"]
["109-79-5","flavorant",0.9989,0,"true positive"]
["513-53-1","flavorant",0.9961,0,"true positive"]
["108-10-1","flavorant",0.9595,0,"candidate alternative"]
["111-26-2","flavorant",0.8695,0,"true positive"]
["111-68-2","flavorant",0.8695,0,"candidate alternative"]
["543-82-8","flavorant",0.9169,0.0625,"functional substitute"]
["108-09-8","flavorant",0.9059,0.0625,"functional substitute"]
["109-73-9","flavorant",0.9347,0.0625,"functional substitute"]
["13952-84-6","flavorant",0.9459,0,"candidate alternative"]
["111-36-4","flavorant",0.8118,0,"candidate alternative"]
["110-54-3","flavorant",0.8475,0,"candidate alternative"]
["142-82-5","flavorant",0.8475,0.0625,"functional substitute"]
["109-66-0","flavorant",0.9391,0.0357142857143,"functional substitute"]
["107-83-5","flavorant",0.9161,0,"candidate alternative"]
["102-82-9","flavorant",0.8646,0,"true positive"]
["5943-30-6","flavorant",0.9958,0,"candidate alternative"]
["629-19-6","flavorant",0.9999,0,"candidate alternative"]
["589-38-8","flavorant",0.9905,0.0625,"functional substitute"]
["931-36-2","flavorant",0.8802,0,"candidate alternative"]
["96-29-7","flavorant",0.9455,0.03125,"functional substitute"]
["110-69-0","flavorant",0.9391,0,"candidate alternative"]
["621-64-7","flavorant",0.9265,0,"poor prediction"]
["1883-78-9","flavorant",0.999,0,"true positive"]
["65505-17-1","flavorant",0.9991,0,"true positive"]
["28588-74-1","flavorant",0.9864,0,"candidate alternative"]
["13678-68-7","flavorant",0.9971,0,"candidate alternative"]
["1438-94-4","flavorant",0.9648,0,"candidate alternative"]
["23747-48-0","flavorant",0.8388,0.0625,"functional substitute"]
["4802-20-4","flavorant",0.842,0.125,"functional substitute"]
["38462-22-5","flavorant",0.8141,0,"candidate alternative"]
["627-05-4","flavorant",0.9104,0,"candidate alternative"]
["14667-55-1","flavorant",0.9545,0,"candidate alternative"]
["544-16-1","flavorant",0.9259,0,"poor prediction"]
["994-05-8","flavorant",0.9473,0.0625,"functional substitute"]
["111-43-3","flavorant",0.9473,0,"candidate alternative"]
["6863-58-7","flavorant",0.9307,0,"candidate alternative"]
["142-96-1","flavorant",0.9527,0,"candidate alternative"]
["544-40-1","flavorant",0.9984,0,"candidate alternative"]
["872-10-6","flavorant",0.9984,0,"true positive"]
["109-46-6","flavorant",0.9244,0.125,"functional substitute"]
["998-40-3","flavorant",0.8434,0,"poor prediction"]
["110-46-3","flavorant",0.9323,0,"poor prediction"]
["108-03-2","flavorant",0.9238,0,"candidate alternative"]
["107-87-9","flavorant",0.9864,0,"candidate alternative"]
["505-29-3","flavorant",0.9744,0,"true positive"]
["65894-82-8","flavorant",0.9917,0,"true positive"]
["1679-07-8","flavorant",0.8564,0,"true positive"]
["1569-69-3","flavorant",0.8551,0,"candidate alternative"]
["35250-53-4","flavorant",0.9953,0.125,"true positive"]
["3570-55-6","flavorant",0.994,0,"candidate alternative"]
["505-79-3","flavorant",0.9317,0.0625,"true positive"]
["298-06-6","flavorant",0.8407,0,"poor prediction"]
["67952-65-2","flavorant",0.9882,0.0625,"functional substitute"]
["4532-64-3","flavorant",0.9955,0,"true positive"]
["2179-57-9","flavorant",0.988,0,"candidate alternative"]
["2050-87-5","flavorant",0.9804,0.0833333333333,"true positive"]
["140-90-9","flavorant",0.8675,0.1875,"functional substitute"]
["140-89-6","flavorant",0.8675,0.125,"functional substitute"]
["140-93-2","flavorant",0.856,0.1875,"functional substitute"]
["75-66-1","flavorant",0.9005,0,"true positive"]
["100-69-6","flavorant",0.9137,0,"candidate alternative"]
["75-33-2","flavorant",0.9924,0,"true positive"]
["21948-70-9","flavorant",0.9882,0,"true positive"]
["109-06-8","flavorant",0.9681,0,"true positive"]
["121-44-8","flavorant",0.802,0,"candidate alternative"]
["110-86-1","flavorant",0.9681,0,"candidate alternative"]
["10595-95-6","flavorant",0.807,0,"poor prediction"]
["55-18-5","flavorant",0.807,0.03125,"poor prediction"]
["109-95-5","flavorant",0.8504,0.0833333333333,"true positive"]
["693-95-8","flavorant",0.9738,0,"true positive"]
["114-91-0","flavorant",0.912,0,"candidate alternative"]
["110-02-1","flavorant",0.979,0,"true positive"]
["110-00-9","flavorant",0.9935,0,"candidate alternative"]
["534-22-5","flavorant",0.9935,0,"true positive"]
["625-86-5","flavorant",0.9935,0,"candidate alternative"]
["290-37-9","flavorant",0.9545,0,"true positive"]
["108-99-6","flavorant",0.9681,0,"true positive"]
["108-89-4","flavorant",0.9681,0,"true positive"]
["105-57-7","flavorant",0.8252,0,"candidate alternative"]
["105-55-5","flavorant",0.8189,0.03125,"poor prediction"]
["420-12-2","flavorant",0.9863,0,"true positive"]
["352-93-2","flavorant",0.9995,0.125,"true positive"]
["628-13-7","flavorant",0.9681,0,"candidate alternative"]
["931-19-1","flavorant",0.9558,0,"candidate alternative"]
["1906-79-2","flavorant",0.9695,0.375,"functional substitute"]
["51-15-0","flavorant",0.9681,0,"candidate alternative"]
["2423-66-7","flavorant",0.9435,0,"candidate alternative"]
["13242-44-9","flavorant",0.9022,0,"poor prediction"]
["3731-52-0","flavorant",0.9314,0,"poor prediction"]
["156-57-0","flavorant",0.912,0,"candidate alternative"]
["458-37-7","flavorant",0.8064,0.35,"functional substitute"]
["156-06-9","flavorant",0.8785,0,"true positive"]
["113-24-6","flavorant",0.8861,0,"candidate alternative"]
["127-17-3","flavorant",0.8861,0.03125,"functional substitute"]
["328-50-7","flavorant",0.851,0,"true positive"]
["123-76-2","flavorant",0.8132,0,"candidate alternative"]
["549-68-8","flavorant",0.8082,0.416666666667,"functional substitute"]
["624-92-0","flavorant",0.9898,0,"candidate alternative"]
["138-92-1","flavorant",0.8928,0,"candidate alternative"]
["22113-87-7","flavorant",0.8352,0,"candidate alternative"]
["1646-75-9","flavorant",0.9976,0.0625,"functional substitute"]
["930-69-8","flavorant",0.946,0,"candidate alternative"]
["108-98-5","flavorant",0.946,0.03125,"true positive"]
["1072-71-5","flavorant",0.9954,0.0625,"poor prediction"]
["557-30-2","flavorant",0.8291,0,"poor prediction"]
["44860-68-6","flavorant",0.838,0,"candidate alternative"]
["51-45-6","flavorant",0.8533,0,"candidate alternative"]
["111-48-8","flavorant",0.838,0.03125,"functional substitute"]
["51481-61-9","flavorant",0.8288,0,"poor prediction"]
["76963-41-2","flavorant",0.8555,0,"poor prediction"]
["3811-73-2","flavorant",0.9059,0.4375,"functional substitute"]
["3696-28-4","flavorant",0.8934,0.5,"functional substitute"]
["5332-73-0","flavorant",0.8874,0,"candidate alternative"]
["60-23-1","flavorant",0.912,0,"candidate alternative"]
["502-55-6","flavorant",0.8911,0,"candidate alternative"]
["366-18-7","flavorant",0.9681,0,"candidate alternative"]
["553-26-4","flavorant",0.9681,0,"candidate alternative"]
["1124-33-0","flavorant",0.8594,0.1875,"poor prediction"]
["13194-48-4","flavorant",0.8257,0,"candidate alternative"]
["121-75-5","flavorant",0.8328,0,"candidate alternative"]
["74051-80-2","flavorant",0.8092,0,"poor prediction"]
["109-42-2","flavorant",0.8464,0.0625,"functional substitute"]
["41395-83-9","flavorant",0.9208,0,"candidate alternative"]
["109-31-9","flavorant",0.988,0,"candidate alternative"]
["78-48-8","flavorant",0.8243,0,"poor prediction"]
["538-23-8","flavorant",0.9664,0,"candidate alternative"]
["2917-73-9","flavorant",0.988,0,"candidate alternative"]
["110-33-8","flavorant",0.9859,0,"candidate alternative"]
["2432-87-3","flavorant",0.988,0,"candidate alternative"]
["82469-79-2","flavorant",0.9859,0,"candidate alternative"]
["106-19-4","flavorant",0.9723,0,"candidate alternative"]
["6938-94-9","flavorant",0.9452,0,"candidate alternative"]
["109-43-3","flavorant",0.988,0,"candidate alternative"]
["141-04-8","flavorant",0.9452,0,"candidate alternative"]
["15520-10-2","flavorant",0.9169,0,"candidate alternative"]
["94317-64-3","flavorant",0.883,0.0625,"poor prediction"]
["2179-59-1","flavorant",0.981,0,"true positive"]
["111-88-6","flavorant",0.9556,0,"candidate alternative"]
["3698-94-0","flavorant",0.9044,0,"candidate alternative"]
["1191-62-4","flavorant",0.9556,0.0625,"true positive"]
["623-51-8","flavorant",0.872,0,"candidate alternative"]
["2935-90-2","flavorant",0.9032,0,"candidate alternative"]
["124-09-4","flavorant",0.8695,0,"candidate alternative"]
["2365-48-2","flavorant",0.8472,0,"candidate alternative"]
["4131-74-2","flavorant",0.981,0.0625,"functional substitute"]
["13010-08-7","flavorant",0.9144,0,"poor prediction"]
["26576-84-1","flavorant",0.9863,0,"candidate alternative"]
["874-80-6","flavorant",0.9863,0,"candidate alternative"]
["74440-81-6","flavorant",0.9291,0.25,"functional substitute"]
["692-13-7","flavorant",0.8673,0,"candidate alternative"]
["16215-21-7","flavorant",0.9201,0.0625,"functional substitute"]
["105-99-7","flavorant",0.9723,0,"candidate alternative"]
["141-03-7","flavorant",0.9723,0.0625,"true positive"]
["110-40-7","flavorant",0.988,0.0625,"functional substitute"]
["2550-40-5","flavorant",0.8615,0,"true positive"]
["6911-51-9","flavorant",0.9988,0.125,"true positive"]
["28588-75-2","flavorant",0.9991,0,"true positive"]
["262-20-4","flavorant",0.8563,0.03125,"poor prediction"]
["55-38-9","flavorant",0.8754,0.104166666667,"functional substitute"]
["622-20-8","flavorant",0.9232,0.0625,"functional substitute"]
["828-26-2","flavorant",0.8562,0,"poor prediction"]
["944-22-9","flavorant",0.825,0,"poor prediction"]
["14222-60-7","flavorant",0.974,0,"candidate alternative"]
["17252-51-6","flavorant",0.9876,0,"candidate alternative"]
["13593-03-8","flavorant",0.9263,0.0625,"functional substitute"]
["35400-43-2","flavorant",0.8319,0,"candidate alternative"]
["3383-96-8","flavorant",0.8947,0.25,"poor prediction"]
["555-90-8","flavorant",0.9153,0,"poor prediction"]
["536-33-4","flavorant",0.966,0.0416666666667,"functional substitute"]
["298-02-2","flavorant",0.92,0.0625,"functional substitute"]
["947-02-4","flavorant",0.8488,0,"poor prediction"]
["1081-34-1","flavorant",0.979,0.375,"functional substitute"]
["106-79-6","flavorant",0.988,0,"candidate alternative"]
["1117-55-1","flavorant",0.988,0.0625,"functional substitute"]
["1732-10-1","flavorant",0.988,0,"candidate alternative"]
["77-90-7","flavorant",0.9723,0,"candidate alternative"]
["26155-31-7","flavorant",0.8475,0,"poor prediction"]
["33401-94-4","flavorant",0.8475,0.125,"poor prediction"]
["492-94-4","flavorant",0.9346,0,"candidate alternative"]
["38205-60-6","flavorant",0.9675,0,"true positive"]
["60599-38-4","flavorant",0.9489,0,"poor prediction"]
["23256-30-6","flavorant",0.8169,0,"poor prediction"]
["6236-05-1","flavorant",0.9573,0,"poor prediction"]
["804-36-4","flavorant",0.9287,0.5,"poor prediction"]
["13071-79-9","flavorant",0.8335,0.03125,"poor prediction"]
["298-04-4","flavorant",0.92,0.0625,"functional substitute"]
["563-12-2","flavorant",0.9127,0.1875,"poor prediction"]
["96-17-3","flavorant",0.8009,0,"candidate alternative"]
["123-92-2","flavorant",0.9223,0,"candidate alternative"]
["563-80-4","flavorant",0.9595,0,"candidate alternative"]
["554-12-1","flavorant",0.9352,0,"candidate alternative"]
["4265-16-1","flavorant",0.8104,0.0625,"true positive"]
["119-65-3","flavorant",0.8132,0,"true positive"]
["22047-25-2","flavorant",0.9777,0,"candidate alternative"]
["24295-03-2","flavorant",0.9675,0.0625,"functional substitute"]
["1072-83-9","flavorant",0.9735,0,"candidate alternative"]
["350-03-8","flavorant",0.8981,0,"candidate alternative"]
["1122-62-9","flavorant",0.8986,0,"candidate alternative"]
["882-33-7","flavorant",0.9343,0,"true positive"]
["139-66-2","flavorant",0.9221,0.0625,"functional substitute"]
["3446-89-7","flavorant",0.8654,0,"candidate alternative"]
["538-74-9","flavorant",0.9177,0,"candidate alternative"]
["106-45-6","flavorant",0.9592,0,"candidate alternative"]
["100-53-8","flavorant",0.9607,0.0625,"true positive"]
["91-19-0","flavorant",0.9459,0,"true positive"]
["100-06-1","flavorant",0.802,0.0625,"functional substitute"]
["3160-37-0","flavorant",0.8652,0.3125,"functional substitute"]
["104-27-8","flavorant",0.9141,0,"true positive"]
["1896-62-4","flavorant",0.9167,0,"candidate alternative"]
["122-57-6","flavorant",0.9167,0,"true positive"]
["112-06-1","flavorant",0.9859,0.0625,"functional substitute"]
["137-06-4","flavorant",0.9592,0.0625,"true positive"]
["106-30-9","flavorant",0.9859,0.0625,"functional substitute"]
["93-91-4","flavorant",0.8555,0.0625,"true positive"]
["142-83-6","flavorant",0.8106,0,"candidate alternative"]
["109-67-1","flavorant",0.8016,0,"candidate alternative"]
["592-41-6","flavorant",0.8016,0,"candidate alternative"]
["592-42-7","flavorant",0.8248,0,"candidate alternative"]
["78-94-4","flavorant",0.9606,0,"true positive"]
["4170-30-3","flavorant",0.8709,0,"candidate alternative"]
["122-51-0","flavorant",0.8252,0,"true positive"]
["431-03-8","flavorant",0.9597,0.0625,"functional substitute"]
["600-22-6","flavorant",0.9475,0,"true positive"]
["67-64-1","flavorant",0.9563,0,"candidate alternative"]
["1821-02-9","flavorant",0.9355,0,"candidate alternative"]
["3188-00-9","flavorant",0.8221,0,"candidate alternative"]
["123-54-6","flavorant",0.914,0,"candidate alternative"]
["107-70-0","flavorant",0.9427,0,"candidate alternative"]
["88-14-2","flavorant",0.9135,0,"true positive"]
["1917-15-3","flavorant",0.9135,0,"candidate alternative"]
["624-41-9","flavorant",0.9223,0,"candidate alternative"]
["19322-27-1","flavorant",0.8174,0,"true positive"]
["3658-77-3","flavorant",0.8174,0,"candidate alternative"]
["28664-35-9","flavorant",0.8281,0,"candidate alternative"]
["92-55-7","flavorant",0.9123,0.4375,"functional substitute"]
["98-01-1","flavorant",0.9687,0,"candidate alternative"]
["2445-76-3","flavorant",0.9859,0,"candidate alternative"]
["123-66-0","flavorant",0.9859,0,"candidate alternative"]
["142-92-7","flavorant",0.9859,0,"candidate alternative"]
["112-17-4","flavorant",0.969,0.0625,"functional substitute"]
["110-42-9","flavorant",0.969,0,"candidate alternative"]
["143-13-5","flavorant",0.988,0,"candidate alternative"]
["123-29-5","flavorant",0.988,0,"candidate alternative"]
["692-86-4","flavorant",0.8464,0,"candidate alternative"]
["111-81-9","flavorant",0.8464,0.0833333333333,"functional substitute"]
["50816-18-7","flavorant",0.8767,0,"candidate alternative"]
["7493-72-3","flavorant",0.8767,0,"candidate alternative"]
["111-12-6","flavorant",0.8718,0,"candidate alternative"]
["110-38-3","flavorant",0.969,0.0625,"functional substitute"]
["111-80-8","flavorant",0.8718,0,"candidate alternative"]
["593-08-8","flavorant",0.8518,0.0625,"functional substitute"]
["112-12-9","flavorant",0.9283,0,"candidate alternative"]
["31501-11-8","flavorant",0.8347,0,"candidate alternative"]
["13481-87-3","flavorant",0.8026,0,"candidate alternative"]
["105-37-3","flavorant",0.9352,0,"candidate alternative"]
["109-60-4","flavorant",0.9352,0,"candidate alternative"]
["106-36-5","flavorant",0.9352,0,"candidate alternative"]
["623-42-7","flavorant",0.9723,0,"candidate alternative"]
["105-54-4","flavorant",0.9723,0,"candidate alternative"]
["142-19-8","flavorant",0.8912,0,"candidate alternative"]
["924-88-9","flavorant",0.9223,0,"candidate alternative"]
["2052-15-5","flavorant",0.9794,0,"candidate alternative"]
["123-25-1","flavorant",0.9352,0.0625,"functional substitute"]
["2173-56-0","flavorant",0.9723,0,"candidate alternative"]
["540-18-1","flavorant",0.9723,0,"candidate alternative"]
["2349-07-7","flavorant",0.8825,0.0625,"functional substitute"]
["15706-73-7","flavorant",0.875,0,"candidate alternative"]
["2445-77-4","flavorant",0.9223,0,"candidate alternative"]
["659-70-1","flavorant",0.9223,0,"candidate alternative"]
["106-27-4","flavorant",0.9452,0,"candidate alternative"]
["39255-32-8","flavorant",0.875,0,"candidate alternative"]
["590-01-2","flavorant",0.9723,0,"candidate alternative"]
["628-63-7","flavorant",0.9723,0,"candidate alternative"]
["123-86-4","flavorant",0.9723,0,"candidate alternative"]
["112-14-1","flavorant",0.988,0,"candidate alternative"]
["111-11-5","flavorant",0.988,0,"candidate alternative"]
["10032-15-2","flavorant",0.8825,0.0625,"functional substitute"]
["5870-93-9","flavorant",0.9859,0,"candidate alternative"]
["2639-63-6","flavorant",0.9859,0,"candidate alternative"]
["540-07-8","flavorant",0.9859,0,"candidate alternative"]
["6378-65-0","flavorant",0.9859,0,"candidate alternative"]
["7492-70-8","flavorant",0.9723,0,"candidate alternative"]
["1119-40-0","flavorant",0.9723,0,"candidate alternative"]
["627-93-0","flavorant",0.9723,0,"candidate alternative"]
["120-40-1","foam boosting agent",0.9897,0.0833333333333,"true positive"]
["544-31-0","foam boosting agent",0.9959,0,"true positive"]
["93-83-4","foam boosting agent",0.9817,0.25,"true positive"]
["1824-50-6","foamer",0.8014,0,"poor prediction"]
["98-15-7","foamer",0.832,0,"poor prediction"]
["98-56-6","foamer",0.832,0.03125,"poor prediction"]
["88-16-4","foamer",0.832,0,"poor prediction"]
["328-84-7","foamer",0.8333,0,"poor prediction"]
["320-60-5","foamer",0.8291,0,"poor prediction"]
["98-46-4","foamer",0.8348,0,"poor prediction"]
["384-22-5","foamer",0.8348,0,"poor prediction"]
["121-17-5","foamer",0.8255,0,"poor prediction"]
["5216-25-1","foamer",0.8183,0.03125,"poor prediction"]
["98-07-7","foamer",0.8008,0,"poor prediction"]
["2338-76-3","foamer",0.8248,0,"poor prediction"]
["98-08-8","foamer",0.8145,0,"poor prediction"]
["67-66-3","foamer",0.9071,0,"candidate alternative"]
["75-27-4","foamer",0.9091,0.0625,"functional substitute"]
["79-00-5","foamer",0.818,0.0625,"functional substitute"]
["598-77-6","foamer",0.8058,0,"poor prediction"]
["75-25-2","foamer",0.9019,0,"candidate alternative"]
["124-48-1","foamer",0.9019,0,"candidate alternative"]
["333-27-7","foamer",0.913,0,"poor prediction"]
["56-23-5","foamer",0.9071,0,"candidate alternative"]
["71-55-6","foamer",0.9071,0,"candidate alternative"]
["75-69-4","foamer",0.9071,0.125,"functional substitute"]
["76-06-2","foamer",0.9042,0,"candidate alternative"]
["76-02-8","foamer",0.8511,0,"poor prediction"]
["28523-86-6","foamer",0.8996,0,"candidate alternative"]
["300-76-5","foamer",0.9074,0.21875,"poor prediction"]
["333-36-8","foamer",0.8922,0,"candidate alternative"]
["731-27-1","foamer",0.8793,0.4375,"poor prediction"]
["393-75-9","foamer",0.8255,0.0625,"poor prediction"]
["17560-51-9","foamer",0.8009,0,"poor prediction"]
["88-19-7","foamer",0.8542,0,"candidate alternative"]
["70-55-3","foamer",0.8542,0,"candidate alternative"]
["59-66-5","foamer",0.8153,0,"poor prediction"]
["121-61-9","foamer",0.8256,0,"candidate alternative"]
["138-37-4","foamer",0.8275,0,"candidate alternative"]
["98-16-8","foamer",0.8095,0,"poor prediction"]
["63-74-1","foamer",0.8262,0.0208333333333,"functional substitute"]
["594-65-0","foamer",0.857,0.0625,"poor prediction"]
["80-51-3","foamer",0.9006,0,"true positive"]
["115-93-5","foamer",0.8354,0.0625,"functional substitute"]
["68291-97-4","foamer",0.8253,0,"poor prediction"]
["181695-72-7","foamer",0.8072,0.0625,"poor prediction"]
["671-95-4","foamer",0.847,0,"candidate alternative"]
["6961-82-6","foamer",0.847,0,"candidate alternative"]
["122836-35-5","foamer",0.8562,0,"poor prediction"]
["169590-42-5","foamer",0.9544,0.25,"functional substitute"]
["120-97-8","foamer",0.8456,0,"poor prediction"]
["26644-46-2","foamer",0.8222,0.0625,"poor prediction"]
["13014-24-9","foamer",0.8194,0.0625,"poor prediction"]
["13014-18-1","foamer",0.8154,0,"poor prediction"]
["68-36-0","foamer",0.8246,0.0625,"poor prediction"]
["88485-37-4","foamer",0.8121,0,"poor prediction"]
["15457-05-3","foamer",0.8446,0.25,"poor prediction"]
["29091-09-6","foamer",0.8226,0.4375,"poor prediction"]
["1085-98-9","foamer",0.8831,0.5,"poor prediction"]
["26675-46-7","foamer",0.904,0,"candidate alternative"]
["76-12-0","foamer",0.9169,0,"candidate alternative"]
["76-13-1","foamer",0.9169,0,"candidate alternative"]
["1763-23-1","foamer",0.8984,0.0625,"poor prediction"]
["3871-99-6","foamer",0.8986,0,"poor prediction"]
["29420-49-3","foamer",0.8997,0,"poor prediction"]
["335-76-2","foamer",0.8329,0.0625,"poor prediction"]
["375-95-1","foamer",0.8329,0.0625,"poor prediction"]
["2058-94-8","foamer",0.8329,0.0625,"poor prediction"]
["335-67-1","foamer",0.8331,0.0625,"poor prediction"]
["375-85-9","foamer",0.8331,0,"poor prediction"]
["307-24-4","foamer",0.8341,0,"poor prediction"]
["3825-26-1","foamer",0.8331,0.0625,"poor prediction"]
["2164-17-2","foamer",0.8002,0,"poor prediction"]
["363-17-7","foamer",0.8178,0.0625,"poor prediction"]
["103055-07-8","foamer",0.8074,0.03125,"poor prediction"]
["272451-65-7","foamer",0.8217,0,"poor prediction"]
["219714-96-2","foamer",0.9081,0,"poor prediction"]
["72178-02-0","foamer",0.8929,0.09375,"poor prediction"]
["91-33-8","foamer",0.8026,0,"poor prediction"]
["50-29-3","foamer",0.8106,0.270833333333,"poor prediction"]
["72-43-5","foamer",0.8159,0.25,"poor prediction"]
["103577-45-3","foamer",0.8198,0.1875,"poor prediction"]
["58-93-5","foamer",0.8166,0,"poor prediction"]
["133-67-5","foamer",0.8882,0,"poor prediction"]
["135-07-9","foamer",0.853,0,"poor prediction"]
["135-09-1","foamer",0.9193,0,"poor prediction"]
["73-48-3","foamer",0.8969,0,"poor prediction"]
["2795-39-3","foamer",0.8984,0,"poor prediction"]
["4151-50-2","foamer",0.879,0,"poor prediction"]
["754-91-6","foamer",0.9753,0.1875,"poor prediction"]
["423-55-2","foamer",0.9306,0,"poor prediction"]
["151-67-7","foamer",0.9285,0,"candidate alternative"]
["79-34-5","foamer",0.8051,0,"poor prediction"]
["630-20-6","foamer",0.9252,0,"candidate alternative"]
["545-06-2","foamer",0.9011,0,"candidate alternative"]
["75-62-7","foamer",0.9071,0,"candidate alternative"]
["594-18-3","foamer",0.9091,0,"candidate alternative"]
["630-16-0","foamer",0.9222,0.0625,"functional substitute"]
["75-47-8","foamer",0.9019,0.0454545454545,"functional substitute"]
["594-42-3","foamer",0.887,0,"candidate alternative"]
["76-01-7","foamer",0.915,0,"poor prediction"]
["67-72-1","foamer",0.915,0,"poor prediction"]
["75-89-8","foamer",0.8022,0,"poor prediction"]
["58-94-6","foamer",0.8331,0,"poor prediction"]
["1493-13-6","foamer",0.8852,0,"poor prediction"]
["302-17-0","foamer",0.8072,0,"poor prediction"]
["115-17-3","foamer",0.8219,0.5,"poor prediction"]
["75-95-6","foamer",0.9115,0.1875,"functional substitute"]
["54593-83-8","foamer",0.8129,0.0625,"poor prediction"]
["2593-15-9","foamer",0.8157,0,"poor prediction"]
["3737-41-5","foamer",0.8004,0.6875,"poor prediction"]
["1929-82-4","foamer",0.8563,0,"poor prediction"]
["69045-78-9","foamer",0.8563,0,"poor prediction"]
["69045-83-6","foamer",0.8581,0,"poor prediction"]
["1134-04-9","foamer",0.8581,0.375,"poor prediction"]
["355-42-0","foamer",0.931,0,"candidate alternative"]
["678-26-2","foamer",0.9321,0,"candidate alternative"]
["57-15-8","foamer",0.8038,0,"poor prediction"]
["789-02-6","foamer",0.8106,0.3125,"poor prediction"]
["354-58-5","foamer",0.9306,0,"candidate alternative"]
["36431-72-8","fragrance",0.986,0,"true positive"]
["2705-87-5","fragrance",0.9194,0,"true positive"]
["142-19-8","fragrance",0.99,0,"true positive"]
["543-49-7","fragrance",0.9456,0.0625,"true positive"]
["123-96-6","fragrance",0.9582,0,"true positive"]
["818-72-4","fragrance",0.8055,0,"candidate alternative"]
["111-27-3","fragrance",0.917,0.03125,"true positive"]
["111-70-6","fragrance",0.9433,0,"true positive"]
["104-76-7","fragrance",0.8613,0.03125,"true positive"]
["107-74-4","fragrance",0.8489,0,"true positive"]
["71-36-3","fragrance",0.832,0,"true positive"]
["71-41-0","fragrance",0.9125,0,"true positive"]
["123-51-3","fragrance",0.8989,0,"true positive"]
["137-32-6","fragrance",0.9002,0,"true positive"]
["97-95-0","fragrance",0.8705,0,"true positive"]
["105-30-6","fragrance",0.8274,0,"candidate alternative"]
["3452-97-9","fragrance",0.9148,0,"true positive"]
["56578-18-8","fragrance",0.928,0.0625,"functional substitute"]
["64275-73-6","fragrance",0.9435,0,"true positive"]
["28069-72-9","fragrance",0.9388,0,"true positive"]
["67634-00-8","fragrance",0.8989,0,"true positive"]
["63721-05-1","fragrance",0.8777,0,"candidate alternative"]
["2835-39-4","fragrance",0.947,0,"true positive"]
["1191-16-8","fragrance",0.8803,0,"true positive"]
["4128-17-0","fragrance",0.9399,0,"candidate alternative"]
["7785-33-3","fragrance",0.9443,0,"true positive"]
["67883-79-8","fragrance",0.9008,0,"true positive"]
["3681-71-8","fragrance",0.9957,0,"true positive"]
["33467-74-2","fragrance",0.9902,0,"true positive"]
["41519-23-7","fragrance",0.9865,0,"true positive"]
["6728-26-3","fragrance",0.8758,0,"true positive"]
["16491-24-0","fragrance",0.9631,0,"true positive"]
["67674-36-6","fragrance",0.9703,0,"true positive"]
["35854-86-5","fragrance",0.8897,0.125,"functional substitute"]
["28069-74-1","fragrance",0.9494,0.0625,"true positive"]
["105-85-1","fragrance",0.9877,0,"true positive"]
["106-23-0","fragrance",0.9914,0,"true positive"]
["105-86-2","fragrance",0.9965,0.0625,"true positive"]
["5392-40-5","fragrance",0.9835,0,"true positive"]
["115-99-1","fragrance",0.9756,0,"true positive"]
["645-62-5","fragrance",0.8196,0,"candidate alternative"]
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["334-48-5","fragrance",0.8567,0.0681818181818,"true positive"]
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["112-05-0","fragrance",0.9061,0,"true positive"]
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["106-25-2","fragrance",0.9891,0,"true positive"]
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["141-16-2","fragrance",0.962,0,"true positive"]
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["88-60-8","fragrance",0.9398,0.03125,"true positive"]
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["105-53-3","fragrance",0.8359,0.03125,"true positive"]
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["13466-78-9","fragrance",0.9835,0,"true positive"]
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["68039-49-6","fragrance",0.9094,0,"candidate alternative"]
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["79-77-6","fragrance",0.9977,0,"true positive"]
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["4994-16-5","fragrance",0.9362,0,"poor prediction"]
["119-64-2","fragrance",0.8376,0.03125,"poor prediction"]
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["32210-23-4","fragrance",0.9833,0,"true positive"]
["88-41-5","fragrance",0.9929,0,"true positive"]
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["78-69-3","fragrance",0.9877,0,"true positive"]
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["141-79-7","fragrance",0.8397,0,"true positive"]
["106-65-0","fragrance",0.8112,0,"true positive"]
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["2550-26-7","fragrance",0.9272,0,"true positive"]
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["103-38-8","fragrance",0.9957,0.0625,"true positive"]
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["40716-66-3","fragrance",0.9936,0,"true positive"]
["23747-48-0","fragrance",0.9029,0.0625,"true positive"]
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["112-63-0","fragrance",0.8594,0.15625,"true positive"]
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["124-25-4","fragrance",0.8648,0.0625,"true positive"]
["22629-49-8","fragrance",0.9523,0.0625,"true positive"]
["2437-25-4","fragrance",0.9374,0,"true positive"]
["629-50-5","fragrance",0.8704,0,"true positive"]
["112-40-3","fragrance",0.8343,0,"true positive"]
["629-59-4","fragrance",0.9069,0,"true positive"]
["34413-35-9","fragrance",0.9064,0.0625,"true positive"]
["629-62-9","fragrance",0.9053,0,"true positive"]
["629-78-7","fragrance",0.8675,0.0625,"true positive"]
["629-08-3","fragrance",0.808,0,"candidate alternative"]
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["563-80-4","fragrance",0.8309,0,"true positive"]
["123-38-6","fragrance",0.8022,0,"true positive"]
["590-86-3","fragrance",0.8979,0,"true positive"]
["78-84-2","fragrance",0.8495,0,"true positive"]
["38462-22-5","fragrance",0.856,0,"true positive"]
["4802-20-4","fragrance",0.8292,0.125,"true positive"]
["544-76-3","fragrance",0.8725,0.0625,"true positive"]
["105-67-9","fragrance",0.9723,0,"true positive"]
["88-69-7","fragrance",0.9872,0,"true positive"]
["526-75-0","fragrance",0.9677,0,"true positive"]
["132-64-9","fragrance",0.8084,0.03125,"true positive"]
["151-10-0","fragrance",0.8758,0,"true positive"]
["150-78-7","fragrance",0.8867,0,"true positive"]
["91-16-7","fragrance",0.8351,0,"true positive"]
["2257-09-2","fragrance",0.8316,0.125,"true positive"]
["104-93-8","fragrance",0.819,0,"true positive"]
["611-23-4","fragrance",0.8606,0.0625,"functional substitute"]
["101-48-4","fragrance",0.9607,0.0625,"true positive"]
["108-67-8","fragrance",0.83,0.03125,"true positive"]
["95-93-2","fragrance",0.8289,0,"candidate alternative"]
["527-53-7","fragrance",0.835,0,"candidate alternative"]
["6770-38-3","fragrance",0.8409,0,"candidate alternative"]
["140-29-4","fragrance",0.8632,0,"candidate alternative"]
["620-22-4","fragrance",0.8103,0.0625,"functional substitute"]
["104-85-8","fragrance",0.8561,0,"candidate alternative"]
["529-19-1","fragrance",0.8246,0,"poor prediction"]
["614-18-6","fragrance",0.804,0.0625,"true positive"]
["13708-12-8","fragrance",0.8936,0.0625,"true positive"]
["611-32-5","fragrance",0.9543,0,"candidate alternative"]
["91-62-3","fragrance",0.9564,0,"true positive"]
["612-60-2","fragrance",0.9564,0,"candidate alternative"]
["91-63-4","fragrance",0.8863,0,"true positive"]
["491-35-0","fragrance",0.8792,0,"true positive"]
["17369-59-4","fragrance",0.8146,0.0625,"true positive"]
["97-64-3","fragrance",0.8302,0,"true positive"]
["271-89-6","fragrance",0.8291,0,"true positive"]
["103-50-4","fragrance",0.9669,0,"true positive"]
["3586-14-9","fragrance",0.8822,0,"candidate alternative"]
["101-81-5","fragrance",0.8318,0,"true positive"]
["104-46-1","fragrance",0.9851,0,"true positive"]
["4180-23-8","fragrance",0.9851,0,"true positive"]
["1746-23-2","fragrance",0.8079,0,"poor prediction"]
["103-30-0","fragrance",0.8761,0.125,"functional substitute"]
["645-49-8","fragrance",0.8761,0,"candidate alternative"]
["3748-13-8","fragrance",0.8689,0,"candidate alternative"]
["98-83-9","fragrance",0.9164,0,"true positive"]
["705-60-2","fragrance",0.8242,0.4375,"functional substitute"]
["102-96-5","fragrance",0.8132,0.125,"functional substitute"]
["140-67-0","fragrance",0.9259,0.0625,"true positive"]
["93-15-2","fragrance",0.954,0.03125,"true positive"]
["94-59-7","fragrance",0.8809,0,"candidate alternative"]
["556-82-1","fragrance",0.9304,0,"true positive"]
["607-91-0","fragrance",0.8324,0,"candidate alternative"]
["208-96-8","fragrance",0.9284,0.03125,"true positive"]
["93-04-9","fragrance",0.866,0,"true positive"]
["91-57-6","fragrance",0.9758,0.0625,"true positive"]
["90-12-0","fragrance",0.9745,0.03125,"true positive"]
["571-58-4","fragrance",0.9425,0,"candidate alternative"]
["575-43-9","fragrance",0.9311,0,"candidate alternative"]
["581-42-0","fragrance",0.9511,0,"true positive"]
["98-51-1","fragrance",0.9206,0,"true positive"]
["13816-33-6","fragrance",0.9014,0,"true positive"]
["121-39-1","fragrance",0.9034,0,"true positive"]
["77-83-8","fragrance",0.8731,0,"true positive"]
["90-87-9","fragrance",0.9423,0,"true positive"]
["83-32-9","fragrance",0.8968,0.03125,"poor prediction"]
["120-58-1","fragrance",0.8248,0,"candidate alternative"]
["17102-64-6","fragrance",0.8424,0,"candidate alternative"]
["138-22-7","fragrance",0.8894,0,"true positive"]
["107-54-0","fragrance",0.8094,0,"true positive"]
["108-11-2","fragrance",0.8714,0,"true positive"]
["108-82-7","fragrance",0.9493,0.0625,"true positive"]
["123-17-1","fragrance",0.9437,0,"true positive"]
["96-48-0","fragrance",0.8321,0,"true positive"]
["3008-43-3","fragrance",0.8163,0,"true positive"]
["13494-07-0","fragrance",0.8122,0,"candidate alternative"]
["765-70-8","fragrance",0.8397,0,"true positive"]
["108-94-1","fragrance",0.8199,0,"true positive"]
["120-92-3","fragrance",0.8244,0,"true positive"]
["108-59-8","fragrance",0.8242,0.03125,"true positive"]
["141-78-6","fragrance",0.8454,0,"true positive"]
["99-85-4","fragrance",0.9324,0,"true positive"]
["99-86-5","fragrance",0.9485,0,"true positive"]
["99-83-2","fragrance",0.9808,0,"true positive"]
["4221-98-1","fragrance",0.9808,0,"true positive"]
["77-73-6","fragrance",0.8152,0,"candidate alternative"]
["16219-75-3","fragrance",0.8167,0,"candidate alternative"]
["79-92-5","fragrance",0.879,0,"true positive"]
["5794-04-7","fragrance",0.879,0.0833333333333,"functional substitute"]
["473-55-2","fragrance",0.8653,0.03125,"true positive"]
["127-91-3","fragrance",0.9493,0,"true positive"]
["18172-67-3","fragrance",0.9493,0,"true positive"]
["91-61-2","fragrance",0.8045,0.0625,"true positive"]
["95-87-4","fragrance",0.9721,0,"true positive"]
["673-84-7","fragrance",0.9287,0.0625,"true positive"]
["142-83-6","fragrance",0.8116,0,"true positive"]
["464-45-9","fragrance",0.9794,0,"true positive"]
["124-76-5","fragrance",0.9794,0,"true positive"]
["34451-19-9","fragrance",0.8894,0,"true positive"]
["503-74-2","fragrance",0.81,0,"true positive"]
["79-31-2","fragrance",0.8195,0,"true positive"]
["88-09-5","fragrance",0.8687,0,"true positive"]
["116-53-0","fragrance",0.8672,0,"true positive"]
["109-52-4","fragrance",0.8702,0.0227272727273,"true positive"]
["107-92-6","fragrance",0.8221,0,"true positive"]
["459-80-3","fragrance",0.8725,0.0625,"true positive"]
["111-14-8","fragrance",0.905,0.03125,"true positive"]
["142-62-1","fragrance",0.9038,0,"true positive"]
["97-61-0","fragrance",0.8971,0,"true positive"]
["628-46-6","fragrance",0.8218,0,"candidate alternative"]
["78-83-1","fragrance",0.8253,0,"true positive"]
["4536-23-6","fragrance",0.8446,0,"true positive"]
["2433-14-9","fragrance",0.8648,0,"candidate alternative"]
["108-93-0","fragrance",0.8068,0,"true positive"]
["470-99-5","fragrance",0.9559,0,"true positive"]
["99-48-9","fragrance",0.9223,0,"true positive"]
["34885-03-5","fragrance",0.9084,0,"candidate alternative"]
["1193-81-3","fragrance",0.9464,0,"true positive"]
["116-02-9","fragrance",0.9843,0,"true positive"]
["933-48-2","fragrance",0.9843,0,"true positive"]
["13491-79-7","fragrance",0.9733,0,"true positive"]
["98-52-2","fragrance",0.9536,0,"true positive"]
["1632-73-1","fragrance",0.9959,0,"true positive"]
["2217-02-9","fragrance",0.9959,0,"candidate alternative"]
["1444-64-0","fragrance",0.8144,0,"candidate alternative"]
["104-54-1","fragrance",0.8839,0.0714285714286,"true positive"]
["5435-64-3","fragrance",0.911,0.0625,"true positive"]
["622-97-9","fragrance",0.9052,0,"candidate alternative"]
["103-53-7","fragrance",0.922,0.0625,"true positive"]
["122-67-8","fragrance",0.9522,0,"true positive"]
["7779-65-9","fragrance",0.9476,0,"true positive"]
["1754-62-7","fragrance",0.8661,0,"candidate alternative"]
["21834-92-4","fragrance",0.9506,0.0625,"true positive"]
["103-54-8","fragrance",0.9913,0,"true positive"]
["103-59-3","fragrance",0.9881,0.0625,"true positive"]
["2628-16-2","fragrance",0.9258,0,"candidate alternative"]
["101-39-3","fragrance",0.9115,0,"true positive"]
["104-55-2","fragrance",0.9714,0,"true positive"]
["14371-10-9","fragrance",0.9714,0.113636363636,"true positive"]
["1671-75-6","fragrance",0.8688,0.0625,"functional substitute"]
["495-40-9","fragrance",0.8721,0,"true positive"]
["94-02-0","fragrance",0.89,0,"true positive"]
["28940-11-6","fragrance",0.9077,0.0625,"true positive"]
["93-08-3","fragrance",0.9061,0,"true positive"]
["774-55-0","fragrance",0.8518,0.0625,"true positive"]
["5407-98-7","fragrance",0.8488,0,"candidate alternative"]
["712-50-5","fragrance",0.8739,0,"candidate alternative"]
["2040-10-0","fragrance",0.894,0,"true positive"]
["18127-01-0","fragrance",0.985,0,"true positive"]
["80-54-6","fragrance",0.991,0,"true positive"]
["135-79-5","fragrance",0.9565,0,"true positive"]
["2110-18-1","fragrance",0.8897,0.125,"true positive"]
["2057-49-0","fragrance",0.8348,0.125,"true positive"]
["103-41-3","fragrance",0.919,0.03125,"true positive"]
["102-20-5","fragrance",0.9266,0,"true positive"]
["122-69-0","fragrance",0.8697,0,"true positive"]
["122-68-9","fragrance",0.8374,0.0625,"true positive"]
["95-65-8","fragrance",0.9495,0,"true positive"]
["105-06-6","fragrance",0.8535,0,"candidate alternative"]
["118-93-4","fragrance",0.8973,0,"true positive"]
["90-02-8","fragrance",0.9034,0.03125,"true positive"]
["97-54-1","fragrance",0.937,0.0208333333333,"true positive"]
["97-53-0","fragrance",0.9253,0.0208333333333,"true positive"]
["1638-22-8","fragrance",0.9593,0.0625,"true positive"]
["87-26-3","fragrance",0.9128,0.0625,"functional substitute"]
["89-72-5","fragrance",0.9839,0,"true positive"]
["99-71-8","fragrance",0.979,0,"true positive"]
["499-75-2","fragrance",0.9523,0,"true positive"]
["89-83-8","fragrance",0.8407,0,"candidate alternative"]
["99-89-8","fragrance",0.9813,0,"true positive"]
["618-45-1","fragrance",0.9833,0,"true positive"]
["2785-89-9","fragrance",0.9727,0.0625,"true positive"]
["2785-87-7","fragrance",0.9335,0.0625,"true positive"]
["644-35-9","fragrance",0.9882,0,"true positive"]
["645-56-7","fragrance",0.9878,0.0625,"true positive"]
["620-17-7","fragrance",0.9779,0.03125,"true positive"]
["123-07-9","fragrance",0.9891,0.03125,"true positive"]
["122-57-6","fragrance",0.8188,0,"candidate alternative"]
["1896-62-4","fragrance",0.8188,0,"true positive"]
["126-64-7","fragrance",0.9545,0.125,"true positive"]
["122-40-7","fragrance",0.9597,0.0208333333333,"true positive"]
["101-86-0","fragrance",0.9467,0.0625,"true positive"]
["78-37-5","fragrance",0.8684,0.25,"true positive"]
["10402-33-2","fragrance",0.8609,0.0625,"true positive"]
["90-00-6","fragrance",0.9873,0,"true positive"]
["1205-17-0","fragrance",0.9,0,"true positive"]
["122-91-8","fragrance",0.9518,0,"true positive"]
["5973-71-7","fragrance",0.8522,0,"candidate alternative"]
["529-20-4","fragrance",0.9753,0,"true positive"]
["591-31-1","fragrance",0.8437,0,"candidate alternative"]
["123-11-5","fragrance",0.9283,0,"true positive"]
["103-95-7","fragrance",0.9335,0,"true positive"]
["151-05-3","fragrance",0.9783,0,"true positive"]
["104-53-0","fragrance",0.9756,0.0625,"true positive"]
["16251-77-7","fragrance",0.9827,0,"true positive"]
["4748-78-1","fragrance",0.928,0,"true positive"]
["122-03-2","fragrance",0.9341,0,"true positive"]
["326-61-4","fragrance",0.9391,0,"true positive"]
["102-16-9","fragrance",0.9462,0,"true positive"]
["2122-70-5","fragrance",0.9021,0,"candidate alternative"]
["67028-40-4","fragrance",0.9882,0.0625,"true positive"]
["104-21-2","fragrance",0.9802,0,"true positive"]
["122-46-3","fragrance",0.9015,0,"candidate alternative"]
["140-39-6","fragrance",0.9466,0,"true positive"]
["103-45-7","fragrance",0.9925,0,"true positive"]
["101-97-3","fragrance",0.9852,0,"true positive"]
["4861-85-2","fragrance",0.9878,0,"true positive"]
["93-92-5","fragrance",0.984,0,"true positive"]
["20665-85-4","fragrance",0.8487,0,"true positive"]
["101-41-7","fragrance",0.9784,0,"true positive"]
["140-11-4","fragrance",0.9879,0,"true positive"]
["122-78-1","fragrance",0.9551,0,"true positive"]
["100-06-1","fragrance",0.876,0.0625,"true positive"]
["2876-78-0","fragrance",0.9144,0,"candidate alternative"]
["98-86-2","fragrance",0.8889,0,"true positive"]
["100-86-7","fragrance",0.9596,0,"true positive"]
["122-00-9","fragrance",0.9116,0,"true positive"]
["1197-01-9","fragrance",0.9714,0,"true positive"]
["617-94-7","fragrance",0.9173,0,"true positive"]
["103-05-9","fragrance",0.9754,0,"true positive"]
["1123-85-9","fragrance",0.9116,0.0625,"true positive"]
["7779-78-4","fragrance",0.9718,0,"true positive"]
["536-60-7","fragrance",0.9599,0.0625,"true positive"]
["583-03-9","fragrance",0.8066,0.0833333333333,"functional substitute"]
["98-85-1","fragrance",0.8643,0,"true positive"]
["100-51-6","fragrance",0.8317,0,"true positive"]
["19819-98-8","fragrance",0.9102,0,"true positive"]
["55418-52-5","fragrance",0.89,0,"true positive"]
["122-73-6","fragrance",0.978,0.0625,"true positive"]
["122-97-4","fragrance",0.8969,0,"true positive"]
["1076-56-8","fragrance",0.9879,0,"true positive"]
["4468-42-2","fragrance",0.8388,0,"candidate alternative"]
["104-51-8","fragrance",0.9015,0,"candidate alternative"]
["104-45-0","fragrance",0.8781,0.0625,"true positive"]
["105-05-5","fragrance",0.9259,0,"candidate alternative"]
["103-65-1","fragrance",0.8964,0,"true positive"]
["620-14-4","fragrance",0.8952,0,"true positive"]
["622-96-8","fragrance",0.9261,0,"candidate alternative"]
["100-18-5","fragrance",0.861,0,"candidate alternative"]
["538-93-2","fragrance",0.8502,0.03125,"candidate alternative"]
["99-87-6","fragrance",0.9714,0,"true positive"]
["99-62-7","fragrance",0.8379,0,"candidate alternative"]
["18924-66-8","hair conditioner",0.9041,0.5,"functional substitute"]
["1541-67-9","hair conditioner",0.9357,0.5625,"true positive"]
["3179-80-4","hair conditioner",0.8401,0.625,"functional substitute"]
["112-69-6","hair conditioner",0.8357,0,"candidate alternative"]
["124-28-7","hair conditioner",0.855,0,"candidate alternative"]
["102-87-4","hair conditioner",0.8378,0,"candidate alternative"]
["142-73-4","hair conditioner",0.9017,0,"candidate alternative"]
["72-19-5","hair conditioner",0.9772,0,"true positive"]
["6284-40-8","hair conditioner",0.8717,0.03125,"true positive"]
["74-79-3","hair conditioner",0.987,0,"true positive"]
["312-84-5","hair conditioner",0.9581,0,"candidate alternative"]
["66-84-2","hair conditioner",0.89,0.0625,"true positive"]
["544-31-0","hair conditioner",0.8172,0,"candidate alternative"]
["2490-97-3","hair conditioner",0.8399,0,"candidate alternative"]
["1772-03-8","hair conditioner",0.89,0,"candidate alternative"]
["139-13-9","hair conditioner",0.8396,0,"poor prediction"]
["120-40-1","hair conditioner",0.8142,0.0833333333333,"functional substitute"]
["7281-04-1","hair conditioner",0.9301,0.5625,"true positive"]
["1119-97-7","hair conditioner",0.9066,0.5,"functional substitute"]
["867-81-2","hair conditioner",0.883,0,"true positive"]
["27668-52-6","hair conditioner",0.8851,0.166666666667,"functional substitute"]
["2390-68-3","hair conditioner",0.8057,0.666666666667,"functional substitute"]
["1464-42-2","hair conditioner",0.9405,0,"candidate alternative"]
["7173-51-5","hair conditioner",0.8116,0.625,"functional substitute"]
["122-18-9","hair conditioner",0.8505,0.46875,"functional substitute"]
["122-19-0","hair conditioner",0.8886,0.6875,"functional substitute"]
["538-71-6","hair conditioner",0.8246,0.5625,"functional substitute"]
["112-75-4","hair conditioner",0.8528,0,"true positive"]
["139-07-1","hair conditioner",0.9433,0.5,"true positive"]
["124-03-8","hair conditioner",0.8842,0.6875,"functional substitute"]
["57-09-0","hair conditioner",0.9192,0.46875,"functional substitute"]
["112-03-8","hair conditioner",0.9421,0.6875,"true positive"]
["2439-10-3","hair conditioner",0.8016,0.0625,"candidate alternative"]
["3282-73-3","hair conditioner",0.8647,0.6875,"functional substitute"]
["112-00-5","hair conditioner",0.9345,0.3125,"true positive"]
["1119-94-4","hair conditioner",0.9487,0.5,"true positive"]
["4574-04-3","hair conditioner",0.8964,0.375,"functional substitute"]
["112-02-7","hair conditioner",0.8917,0.375,"functional substitute"]
["3493-12-7","hair conditioner",0.9122,0,"candidate alternative"]
["3374-22-9","hair conditioner",0.9345,0,"candidate alternative"]
["83915-83-7","hair conditioner",0.8242,0,"poor prediction"]
["640-68-6","hair conditioner",0.9897,0,"true positive"]
["328-38-1","hair conditioner",0.984,0,"candidate alternative"]
["56-89-3","hair conditioner",0.9424,0,"true positive"]
["59-51-8","hair conditioner",0.9578,0,"true positive"]
["609-36-9","hair conditioner",0.9147,0,"true positive"]
["52-89-1","hair conditioner",0.9247,0,"candidate alternative"]
["52-67-5","hair conditioner",0.8381,0,"candidate alternative"]
["407-41-0","hair conditioner",0.8757,0,"poor prediction"]
["645-35-2","hair conditioner",0.9187,0,"candidate alternative"]
["70-18-8","hair conditioner",0.8752,0,"candidate alternative"]
["38716-68-6","hair conditioner",0.8288,0,"poor prediction"]
["443-79-8","hair conditioner",0.9901,0,"true positive"]
["319-78-8","hair conditioner",0.9901,0,"candidate alternative"]
["1509-34-8","hair conditioner",0.9901,0.0833333333333,"functional substitute"]
["56-87-1","hair conditioner",0.992,0,"true positive"]
["16485-10-2","hair conditioner",0.9359,0,"true positive"]
["1499-55-4","hair conditioner",0.9243,0,"candidate alternative"]
["115-02-6","hair conditioner",0.9226,0.0625,"candidate alternative"]
["138-15-8","hair conditioner",0.8681,0,"candidate alternative"]
["1783-96-6","hair conditioner",0.977,0,"candidate alternative"]
["56-40-6","hair conditioner",0.9688,0,"true positive"]
["76420-72-9","hair conditioner",0.8065,0,"poor prediction"]
["58-85-5","hair conditioner",0.8227,0,"true positive"]
["1214-39-7","hair conditioner",0.8117,0.0625,"true positive"]
["58-56-0","hair conditioner",0.8536,0.0625,"true positive"]
["51-65-0","hair conditioner",0.8207,0,"candidate alternative"]
["7424-00-2","hair conditioner",0.8374,0,"candidate alternative"]
["495-69-2","hair conditioner",0.8195,0,"true positive"]
["73-22-3","hair conditioner",0.9708,0.03125,"true positive"]
["54-12-6","hair conditioner",0.9708,0.0625,"true positive"]
["153-94-6","hair conditioner",0.9708,0.03125,"candidate alternative"]
["150-30-1","hair conditioner",0.8457,0.0833333333333,"functional substitute"]
["59-92-7","hair conditioner",0.9029,0,"candidate alternative"]
["60-18-4","hair conditioner",0.9393,0,"true positive"]
["555-30-6","hair conditioner",0.8249,0,"candidate alternative"]
["672-87-7","hair conditioner",0.8507,0,"candidate alternative"]
["4350-09-8","hair conditioner",0.9152,0.0625,"candidate alternative"]
["32462-30-9","hair conditioner",0.9394,0,"candidate alternative"]
["338-69-2","hair conditioner",0.9825,0,"candidate alternative"]
["81-13-0","hair conditioner",0.9359,0,"true positive"]
["56-86-0","hair conditioner",0.9492,0,"candidate alternative"]
["6893-26-1","hair conditioner",0.9492,0,"candidate alternative"]
["99-52-5","hair dye",0.9774,0,"candidate alternative"]
["526-08-9","hair dye",0.8279,0,"poor prediction"]
["52298-44-9","hair dye",0.8028,0,"poor prediction"]
["127-77-5","hair dye",0.8174,0,"poor prediction"]
["104-22-3","hair dye",0.8187,0,"poor prediction"]
["1918-02-1","hair dye",0.8018,0.0416666666667,"poor prediction"]
["542-02-9","hair dye",0.84,0.125,"poor prediction"]
["1668-54-8","hair dye",0.8299,0.0625,"poor prediction"]
["3397-62-4","hair dye",0.8467,0,"poor prediction"]
["56-05-3","hair dye",0.9101,0,"candidate alternative"]
["2835-68-9","hair dye",0.8013,0.0625,"poor prediction"]
["19406-86-1","hair dye",0.8182,0,"poor prediction"]
["102-28-3","hair dye",0.8107,0,"poor prediction"]
["122-80-5","hair dye",0.8107,0,"poor prediction"]
["121-88-0","hair dye",0.9977,0.0625,"candidate alternative"]
["99-57-0","hair dye",0.9977,0.03125,"candidate alternative"]
["119-34-6","hair dye",0.9977,0.0625,"candidate alternative"]
["96-91-3","hair dye",0.9977,0,"true positive"]
["5930-28-9","hair dye",0.9949,0.125,"candidate alternative"]
["95-85-2","hair dye",0.9936,0.1875,"functional substitute"]
["6358-07-2","hair dye",0.993,0.0625,"candidate alternative"]
["591-27-5","hair dye",0.9978,0,"candidate alternative"]
["63-74-1","hair dye",0.849,0.0208333333333,"poor prediction"]
["57-67-0","hair dye",0.8513,0,"poor prediction"]
["515-49-1","hair dye",0.8463,0,"poor prediction"]
["144-82-1","hair dye",0.8509,0,"poor prediction"]
["54827-17-7","hair dye",0.9387,0.0625,"candidate alternative"]
["101-14-4","hair dye",0.9596,0.25,"functional substitute"]
["784-38-3","hair dye",0.806,0,"poor prediction"]
["22199-08-2","hair dye",0.8472,0.0833333333333,"poor prediction"]
["68-35-9","hair dye",0.8472,0,"poor prediction"]
["127-79-7","hair dye",0.8472,0,"poor prediction"]
["599-88-2","hair dye",0.8472,0,"poor prediction"]
["515-64-0","hair dye",0.8472,0,"poor prediction"]
["57-68-1","hair dye",0.8472,0.0416666666667,"poor prediction"]
["1220-83-3","hair dye",0.8314,0,"poor prediction"]
["3772-76-7","hair dye",0.8314,0,"poor prediction"]
["122-11-2","hair dye",0.8314,0,"poor prediction"]
["2447-57-6","hair dye",0.8314,0,"poor prediction"]
["651-06-9","hair dye",0.8314,0,"poor prediction"]
["963-14-4","hair dye",0.8139,0,"poor prediction"]
["80-35-3","hair dye",0.8345,0,"poor prediction"]
["144-83-2","hair dye",0.8696,0,"poor prediction"]
["59-40-5","hair dye",0.8286,0.03125,"poor prediction"]
["152-47-6","hair dye",0.82,0,"poor prediction"]
["127-69-5","hair dye",0.8565,0.0333333333333,"poor prediction"]
["723-46-6","hair dye",0.8565,0,"poor prediction"]
["95-55-6","hair dye",0.9978,0.3125,"true positive"]
["123-30-8","hair dye",0.9978,0.340909090909,"functional substitute"]
["2835-95-2","hair dye",0.9957,0.0625,"candidate alternative"]
["2835-99-6","hair dye",0.9957,0.1875,"true positive"]
["90-04-0","hair dye",0.9546,0.03125,"candidate alternative"]
["2735-04-8","hair dye",0.9546,0,"candidate alternative"]
["621-33-0","hair dye",0.9237,0.0625,"candidate alternative"]
["94-70-2","hair dye",0.9237,0,"candidate alternative"]
["95-51-2","hair dye",0.9783,0,"candidate alternative"]
["106-40-1","hair dye",0.9783,0.125,"candidate alternative"]
["108-42-9","hair dye",0.9783,0,"candidate alternative"]
["106-47-8","hair dye",0.9783,0.125,"candidate alternative"]
["95-76-1","hair dye",0.9547,0.0625,"candidate alternative"]
["626-43-7","hair dye",0.9741,0.03125,"candidate alternative"]
["536-90-3","hair dye",0.9546,0.0625,"candidate alternative"]
["95-82-9","hair dye",0.9686,0.0625,"candidate alternative"]
["63133-82-4","hair dye",0.9776,0,"candidate alternative"]
["95-69-2","hair dye",0.9763,0.0625,"candidate alternative"]
["95-79-4","hair dye",0.9763,0,"candidate alternative"]
["95-74-9","hair dye",0.9763,0,"candidate alternative"]
["87-60-5","hair dye",0.9763,0,"candidate alternative"]
["578-46-1","hair dye",0.9774,0,"candidate alternative"]
["89-62-3","hair dye",0.9774,0.0625,"candidate alternative"]
["119-32-4","hair dye",0.9774,0.0625,"candidate alternative"]
["99-55-8","hair dye",0.9774,0.0625,"candidate alternative"]
["603-83-8","hair dye",0.9774,0,"candidate alternative"]
["554-00-7","hair dye",0.9741,0,"candidate alternative"]
["156-43-4","hair dye",0.9237,0.0625,"candidate alternative"]
["104-94-9","hair dye",0.9546,0.0625,"candidate alternative"]
["108-44-1","hair dye",0.9737,0,"candidate alternative"]
["95-84-1","hair dye",0.9957,0.25,"functional substitute"]
["137-09-7","hair dye",0.9978,0,"candidate alternative"]
["521-31-3","hair dye",0.9655,0,"poor prediction"]
["619-17-0","hair dye",0.8519,0.03125,"candidate alternative"]
["5315-79-7","hair dye",0.8632,0.125,"candidate alternative"]
["101-18-8","hair dye",0.8882,0.25,"functional substitute"]
["122-37-2","hair dye",0.8882,0.25,"functional substitute"]
["120-37-6","hair dye",0.949,0.0625,"candidate alternative"]
["6219-89-2","hair dye",0.9895,0.125,"candidate alternative"]
["55-55-0","hair dye",0.9853,0.5,"true positive"]
["106-49-0","hair dye",0.9737,0.03125,"candidate alternative"]
["95-68-1","hair dye",0.9767,0.0625,"candidate alternative"]
["108-69-0","hair dye",0.9767,0.0625,"candidate alternative"]
["13181-17-4","hair dye",0.8818,0.25,"functional substitute"]
["95-64-7","hair dye",0.965,0.0625,"candidate alternative"]
["87-59-2","hair dye",0.965,0,"candidate alternative"]
["95-78-3","hair dye",0.9574,0.0625,"candidate alternative"]
["137-17-7","hair dye",0.9514,0,"candidate alternative"]
["16452-01-0","hair dye",0.9468,0.0625,"candidate alternative"]
["120-71-8","hair dye",0.9468,0.03125,"candidate alternative"]
["102-50-1","hair dye",0.9468,0.0625,"candidate alternative"]
["95-53-4","hair dye",0.9737,0,"candidate alternative"]
["87-62-7","hair dye",0.9767,0.03125,"candidate alternative"]
["88-68-6","hair dye",0.8013,0,"poor prediction"]
["92-00-2","hair dye",0.8274,0,"candidate alternative"]
["6385-58-6","hair dye",0.8048,0.625,"functional substitute"]
["2871-01-4","hair dye",0.9999,0.0625,"true positive"]
["59820-43-8","hair dye",0.9988,0,"true positive"]
["100-15-2","hair dye",0.9188,0.0625,"candidate alternative"]
["93-05-0","hair dye",0.9148,0.375,"functional substitute"]
["99-98-9","hair dye",0.9314,0.375,"poor prediction"]
["1465-25-4","hair dye",0.9007,0.104166666667,"candidate alternative"]
["33229-34-4","hair dye",0.9972,0,"true positive"]
["2198-59-6","hair dye",0.9713,0.0625,"true positive"]
["121-66-4","hair dye",0.8532,0.0625,"poor prediction"]
["3775-55-1","hair dye",0.8583,0.125,"poor prediction"]
["504-29-0","hair dye",0.9443,0,"candidate alternative"]
["695-34-1","hair dye",0.9443,0,"candidate alternative"]
["1824-81-3","hair dye",0.9443,0,"candidate alternative"]
["1603-41-4","hair dye",0.9443,0,"candidate alternative"]
["6109-97-3","hair dye",0.879,0.125,"poor prediction"]
["462-08-8","hair dye",0.9443,0,"candidate alternative"]
["119-33-5","hair dye",0.86,0,"candidate alternative"]
["38304-91-5","hair dye",0.8276,0,"poor prediction"]
["79622-59-6","hair dye",0.822,0.8125,"poor prediction"]
["29091-05-2","hair dye",0.906,0.25,"poor prediction"]
["80-32-0","hair dye",0.8627,0.0357142857143,"poor prediction"]
["116-45-0","hair dye",0.8575,0,"poor prediction"]
["27589-33-9","hair dye",0.8131,0,"poor prediction"]
["119-75-5","hair dye",0.807,0,"candidate alternative"]
["24526-64-5","hair dye",0.8854,0,"poor prediction"]
["836-30-6","hair dye",0.807,0.28125,"functional substitute"]
["500-42-5","hair dye",0.9328,0.166666666667,"poor prediction"]
["66215-27-8","hair dye",0.8007,0.0208333333333,"poor prediction"]
["1007-28-9","hair dye",0.8434,0,"poor prediction"]
["6190-65-4","hair dye",0.8358,0,"poor prediction"]
["92-31-9","hair dye",0.9077,0.1875,"poor prediction"]
["115-39-9","hair dye",0.8168,0.1875,"functional substitute"]
["91-53-2","hair dye",0.8111,0.0681818181818,"poor prediction"]
["120068-37-3","hair dye",0.9084,0.28125,"poor prediction"]
["504-24-5","hair dye",0.9443,0,"candidate alternative"]
["54-96-6","hair dye",0.9443,0.0625,"candidate alternative"]
["541-69-5","hair dye",0.9771,0.0625,"candidate alternative"]
["615-28-1","hair dye",0.9771,0.1875,"functional substitute"]
["147-47-7","hair dye",0.8162,0,"poor prediction"]
["102-27-2","hair dye",0.8535,0,"candidate alternative"]
["32329-20-7","hair dye",0.8176,0.0625,"candidate alternative"]
["100-61-8","hair dye",0.8284,0,"poor prediction"]
["20265-97-8","hair dye",0.9546,0.125,"candidate alternative"]
["103-69-5","hair dye",0.8353,0,"poor prediction"]
["99-07-0","hair dye",0.871,0.0625,"poor prediction"]
["62-53-3","hair dye",0.9321,0,"candidate alternative"]
["1072-67-9","hair dye",0.8943,0,"poor prediction"]
["96-50-4","hair dye",0.8065,0.0357142857143,"poor prediction"]
["371-40-4","hair dye",0.9783,0,"candidate alternative"]
["838-88-0","hair dye",0.9558,0,"candidate alternative"]
["91-68-9","hair dye",0.8462,0.125,"candidate alternative"]
["141-86-6","hair dye",0.9443,0.0625,"true positive"]
["134-29-2","hair dye",0.9546,0.0625,"candidate alternative"]
["636-21-5","hair dye",0.9737,0.0625,"candidate alternative"]
["108-78-1","hair dye",0.84,0,"poor prediction"]
["20535-83-5","hair dye",0.8266,0.0625,"poor prediction"]
["935-69-3","hair dye",0.8018,0,"poor prediction"]
["5392-28-9","hair dye",0.9116,0,"true positive"]
["73-24-5","hair dye",0.8313,0,"poor prediction"]
["1455-77-2","hair dye",0.8669,0,"poor prediction"]
["142-04-1","hair dye",0.9321,0.0625,"candidate alternative"]
["61-82-5","hair dye",0.8669,0.03125,"poor prediction"]
["20265-96-7","hair dye",0.9783,0.09375,"candidate alternative"]
["98-50-0","hair dye",0.9201,0.03125,"poor prediction"]
["127-85-5","hair dye",0.9201,0,"poor prediction"]
["934-32-7","hair dye",0.8908,0.0625,"poor prediction"]
["638-03-9","hair dye",0.9737,0.0625,"candidate alternative"]
["540-23-8","hair dye",0.9737,0.125,"candidate alternative"]
["61702-44-1","hair dye",0.9783,0.28125,"true positive"]
["611-75-6","hair dye",0.8128,0.0625,"poor prediction"]
["77883-43-3","hair dye",0.8107,0,"poor prediction"]
["21738-42-1","hair dye",0.8448,0,"poor prediction"]
["933-75-5","hair dye",0.8316,0,"poor prediction"]
["88-75-5","hair dye",0.9524,0.03125,"true positive"]
["104-91-6","hair dye",0.8242,0.09375,"candidate alternative"]
["554-84-7","hair dye",0.9524,0.0625,"true positive"]
["100-02-7","hair dye",0.9524,0.0625,"true positive"]
["95-77-2","hair dye",0.814,0.0625,"poor prediction"]
["933-78-8","hair dye",0.8316,0.3125,"poor prediction"]
["583-78-8","hair dye",0.8426,0,"candidate alternative"]
["576-24-9","hair dye",0.832,0,"poor prediction"]
["87-65-0","hair dye",0.8459,0.0625,"candidate alternative"]
["120-83-2","hair dye",0.8547,0,"candidate alternative"]
["367-12-4","hair dye",0.8488,0,"candidate alternative"]
["95-57-8","hair dye",0.8488,0.03125,"candidate alternative"]
["108-43-0","hair dye",0.8162,0,"candidate alternative"]
["591-35-5","hair dye",0.8141,0.125,"poor prediction"]
["106-48-9","hair dye",0.8315,0,"candidate alternative"]
["95-95-4","hair dye",0.8367,0.0909090909091,"poor prediction"]
["15950-66-0","hair dye",0.8387,0.125,"poor prediction"]
["97-18-7","hair dye",0.8048,0.541666666667,"functional substitute"]
["67227-56-9","hair dye",0.8378,0.125,"poor prediction"]
["121-19-7","hair dye",0.9152,0,"poor prediction"]
["88-30-2","hair dye",0.8351,0.25,"poor prediction"]
["137-19-9","hair dye",0.8547,0,"candidate alternative"]
["87-86-5","hair dye",0.8287,0.3125,"poor prediction"]
["609-19-8","hair dye",0.8134,0.1875,"poor prediction"]
["608-71-9","hair dye",0.8287,0.3125,"poor prediction"]
["118-79-6","hair dye",0.8466,0.125,"candidate alternative"]
["136-32-3","hair dye",0.8367,0.1875,"poor prediction"]
["58-90-2","hair dye",0.8304,0.25,"poor prediction"]
["4901-51-3","hair dye",0.8385,0.4375,"poor prediction"]
["935-95-5","hair dye",0.8316,0.3125,"poor prediction"]
["88-06-2","hair dye",0.8466,0,"candidate alternative"]
["305-85-1","hair dye",0.9364,0.166666666667,"functional substitute"]
["6088-51-3","hair dye",0.8094,0.40625,"functional substitute"]
["487-93-4","hair dye",0.82,0,"candidate alternative"]
["520-53-6","hair dye",0.82,0,"candidate alternative"]
["68844-77-9","hair dye",0.8156,0.59375,"poor prediction"]
["81-49-2","hair dye",0.8655,0.0625,"candidate alternative"]
["82-28-0","hair dye",0.8408,0.1875,"functional substitute"]
["128-95-0","hair dye",0.8699,0.0625,"true positive"]
["117-79-3","hair dye",0.8699,0.125,"candidate alternative"]
["14233-37-5","hair dye",0.8657,0,"candidate alternative"]
["484-17-3","hair dye",0.865,0.625,"functional substitute"]
["70476-82-3","hair dye",0.9437,0.3125,"functional substitute"]
["482-89-3","hair dye",0.813,0.03125,"poor prediction"]
["2390-60-5","hair dye",0.8179,0.75,"poor prediction"]
["53786-45-1","hair dye",0.8908,0,"poor prediction"]
["1239-45-8","hair dye",0.8899,0.454545454545,"poor prediction"]
["5424-37-3","hair dye",0.8503,0.125,"candidate alternative"]
["989-38-8","hair dye",0.8675,0.53125,"true positive"]
["3105-97-3","hair dye",0.8421,0.5,"poor prediction"]
["135-19-3","hair dye",0.867,0.21875,"functional substitute"]
["90-15-3","hair dye",0.867,0.09375,"candidate alternative"]
["2380-94-1","hair dye",0.9292,0,"candidate alternative"]
["131-89-5","hair dye",0.808,0.375,"functional substitute"]
["824-39-5","hair dye",0.9524,0,"candidate alternative"]
["824-78-2","hair dye",0.9524,0,"candidate alternative"]
["92-88-6","hair dye",0.8023,0.25,"functional substitute"]
["480-22-8","hair dye",0.8665,0,"candidate alternative"]
["120-80-9","hair dye",0.8242,0.125,"candidate alternative"]
["108-46-3","hair dye",0.8242,0,"candidate alternative"]
["123-31-9","hair dye",0.8242,0.0833333333333,"candidate alternative"]
["87-66-1","hair dye",0.8242,0.142857142857,"functional substitute"]
["1008-65-7","hair dye",0.8265,0,"candidate alternative"]
["6099-90-7","hair dye",0.8242,0,"candidate alternative"]
["4008-48-4","hair dye",0.8718,0.375,"poor prediction"]
["51-28-5","hair dye",0.9524,0.21875,"functional substitute"]
["534-52-1","hair dye",0.86,0.3125,"functional substitute"]
["609-93-8","hair dye",0.86,0.125,"candidate alternative"]
["844-26-8","hair dye",0.854,0.125,"candidate alternative"]
["97-56-3","hair dye",0.9421,0.34375,"functional substitute"]
["1747-60-0","hair dye",0.8564,0.125,"poor prediction"]
["532-82-1","hair dye",0.9034,0.1875,"poor prediction"]
["95-80-7","hair dye",0.9737,0.125,"candidate alternative"]
["823-40-5","hair dye",0.9737,0.0625,"candidate alternative"]
["496-72-0","hair dye",0.9737,0.25,"functional substitute"]
["2687-25-4","hair dye",0.9737,0.125,"candidate alternative"]
["101-77-9","hair dye",0.9538,0.0625,"candidate alternative"]
["29927-08-0","hair dye",0.8729,0.125,"poor prediction"]
["1477-42-5","hair dye",0.8805,0.0625,"poor prediction"]
["119-93-7","hair dye",0.9342,0.15625,"functional substitute"]
["68298-46-4","hair dye",0.8852,0,"poor prediction"]
["5464-79-9","hair dye",0.8564,0.0625,"poor prediction"]
["60-09-3","hair dye",0.9034,0.25,"poor prediction"]
["136-95-8","hair dye",0.8745,0.0625,"poor prediction"]
["6285-57-0","hair dye",0.9052,0.125,"poor prediction"]
["2104-09-8","hair dye",0.9316,0.125,"candidate alternative"]
["490-55-1","hair dye",0.8675,0,"poor prediction"]
["26049-71-8","hair dye",0.9071,0.125,"poor prediction"]
["132-32-1","hair dye",0.879,0.0625,"poor prediction"]
["5834-17-3","hair dye",0.8797,0.125,"poor prediction"]
["139-65-1","hair dye",0.9088,0.1875,"functional substitute"]
["2693-46-1","hair dye",0.9076,0.3125,"poor prediction"]
["7411-49-6","hair dye",0.933,0.125,"candidate alternative"]
["531-85-1","hair dye",0.933,0,"candidate alternative"]
["94-45-1","hair dye",0.8362,0.125,"poor prediction"]
["20325-40-0","hair dye",0.9125,0.1875,"functional substitute"]
["534-85-0","hair dye",0.9713,0.1875,"functional substitute"]
["4273-98-7","hair dye",0.8195,0,"poor prediction"]
["99-59-2","hair dye",0.9662,0.0625,"candidate alternative"]
["97-52-9","hair dye",0.9662,0,"candidate alternative"]
["96-96-8","hair dye",0.9662,0,"candidate alternative"]
["100-01-6","hair dye",0.9853,0.0625,"candidate alternative"]
["99-09-2","hair dye",0.9853,0,"candidate alternative"]
["97-02-9","hair dye",0.9853,0,"candidate alternative"]
["616-86-4","hair dye",0.9427,0,"candidate alternative"]
["91-59-8","hair dye",0.9374,0.09375,"candidate alternative"]
["134-32-7","hair dye",0.9374,0.0625,"candidate alternative"]
["88-74-4","hair dye",0.9853,0,"candidate alternative"]
["101-54-2","hair dye",0.9713,0.09375,"true positive"]
["92-67-1","hair dye",0.9058,0.125,"candidate alternative"]
["2243-62-1","hair dye",0.9374,0.0625,"candidate alternative"]
["2243-61-0","hair dye",0.9374,0.5,"functional substitute"]
["92-87-5","hair dye",0.933,0.09375,"candidate alternative"]
["99-56-9","hair dye",0.9853,0.125,"true positive"]
["5307-14-2","hair dye",0.9853,0.0625,"candidate alternative"]
["5131-58-8","hair dye",0.9853,0.0625,"candidate alternative"]
["153-78-6","hair dye",0.9375,0.1875,"poor prediction"]
["613-13-8","hair dye",0.937,0.3125,"functional substitute"]
["5467-78-7","hair dye",0.9321,0,"poor prediction"]
["1131-18-6","hair dye",0.9365,0,"poor prediction"]
["90-41-5","hair dye",0.9058,0,"candidate alternative"]
["91-95-2","hair dye",0.933,0.0625,"candidate alternative"]
["54029-45-7","hair dye",0.9232,0.25,"poor prediction"]
["39156-41-7","hair dye",0.9546,0.375,"functional substitute"]
["89-63-4","hair dye",0.9788,0.0625,"candidate alternative"]
["64063-37-2","hair dye",0.9739,0,"candidate alternative"]
["54150-69-5","hair dye",0.9546,0,"candidate alternative"]
["98-16-8","hair dye",0.9143,0,"poor prediction"]
["6981-18-6","hair dye",0.9113,0,"poor prediction"]
["5355-16-8","hair dye",0.9188,0,"poor prediction"]
["738-70-5","hair dye",0.9188,0,"poor prediction"]
["396-01-0","hair dye",0.8984,0.354166666667,"poor prediction"]
["321-64-2","hair dye",0.8428,0.0625,"poor prediction"]
["76180-96-6","hair dye",0.8612,0.0625,"poor prediction"]
["19952-47-7","hair dye",0.8843,0.1875,"poor prediction"]
["952-23-8","hair dye",0.9557,0.5625,"poor prediction"]
["632-99-5","hair dye",0.9303,0.285714285714,"functional substitute"]
["23680-84-4","hair dye",0.9257,0,"poor prediction"]
["7761-45-7","hair dye",0.9355,0,"poor prediction"]
["84057-84-1","hair dye",0.9305,0,"poor prediction"]
["37148-27-9","hair dye",0.8822,0,"poor prediction"]
["136-40-3","hair dye",0.9245,0.229166666667,"functional substitute"]
["537-17-7","hair dye",0.9226,0,"poor prediction"]
["91-76-9","hair dye",0.8866,0.09375,"poor prediction"]
["538-41-0","hair dye",0.9454,0.0625,"candidate alternative"]
["94-10-0","hair dye",0.8999,0.333333333333,"functional substitute"]
["569-61-9","hair dye",0.9081,0.4375,"poor prediction"]
["61-80-3","hair dye",0.9172,0.0625,"candidate alternative"]
["367-25-9","hair dye",0.9741,0,"candidate alternative"]
["6358-64-1","hair dye",0.9418,0.0625,"candidate alternative"]
["3165-93-3","hair dye",0.9763,0.0625,"candidate alternative"]
["21436-96-4","hair dye",0.9767,0.0625,"candidate alternative"]
["612-82-8","hair dye",0.9342,0.1875,"functional substitute"]
["106-50-3","hair dye",0.9771,0.125,"candidate alternative"]
["108-45-2","hair dye",0.9771,0.0625,"candidate alternative"]
["95-54-5","hair dye",0.9771,0.0625,"candidate alternative"]
["101-79-1","hair dye",0.9203,0.125,"poor prediction"]
["80-08-0","hair dye",0.8541,0.0208333333333,"candidate alternative"]
["6264-66-0","hair dye",0.9231,0.25,"functional substitute"]
["101-80-4","hair dye",0.9231,0.03125,"candidate alternative"]
["119-90-4","hair dye",0.9125,0,"candidate alternative"]
["599-61-1","hair dye",0.8541,0,"candidate alternative"]
["2683-43-4","hair dye",0.9745,0,"candidate alternative"]
["1817-73-8","hair dye",0.9788,0.0625,"candidate alternative"]
["324-93-6","hair dye",0.9528,0.125,"candidate alternative"]
["634-93-5","hair dye",0.9703,0,"candidate alternative"]
["91-94-1","hair dye",0.9384,0.375,"functional substitute"]
["609-20-1","hair dye",0.9741,0.09375,"candidate alternative"]
["527-20-8","hair dye",0.9302,0.0625,"poor prediction"]
["612-83-9","hair dye",0.9384,0.375,"functional substitute"]
["15721-02-5","hair dye",0.929,0.6875,"poor prediction"]
["5131-60-2","hair dye",0.9783,0.125,"candidate alternative"]
["95-83-0","hair dye",0.9783,0.1875,"functional substitute"]
["99-30-9","hair dye",0.9745,0.15625,"functional substitute"]
["10595-72-9","heat stabilizer",0.8433,0,"candidate alternative"]
["102-87-4","heat stabilizer",0.8183,0,"candidate alternative"]
["6683-19-8","heat stabilizer",0.8976,0.1875,"functional substitute"]
["36443-68-2","heat stabilizer",0.904,0,"candidate alternative"]
["88-24-4","heat stabilizer",0.8925,0.625,"functional substitute"]
["96-69-5","heat stabilizer",0.8067,0.75,"functional substitute"]
["23288-49-5","heat stabilizer",0.8964,0,"candidate alternative"]
["85-60-9","heat stabilizer",0.8794,0.75,"functional substitute"]
["118-82-1","heat stabilizer",0.8812,0.03125,"candidate alternative"]
["40601-76-1","heat stabilizer",0.8348,0.125,"candidate alternative"]
["37693-01-9","heat stabilizer",0.8338,0.5,"functional substitute"]
["119-47-1","heat stabilizer",0.8518,0.75,"true positive"]
["526-95-4","humectant",0.8444,0,"candidate alternative"]
["31138-65-5","humectant",0.8444,0,"candidate alternative"]
["320-67-2","humectant",0.8216,0.25,"functional substitute"]
["299-27-4","humectant",0.8444,0,"candidate alternative"]
["602-41-5","humectant",0.8227,0,"candidate alternative"]
["1405-86-3","humectant",0.8473,0.075,"functional substitute"]
["17575-20-1","humectant",0.8553,0.416666666667,"functional substitute"]
["17575-22-3","humectant",0.8553,0.416666666667,"functional substitute"]
["20562-02-1","humectant",0.8884,0.392857142857,"functional substitute"]
["17406-45-0","humectant",0.9155,0.75,"functional substitute"]
["859-18-7","humectant",0.8027,0,"candidate alternative"]
["42553-65-1","humectant",0.8951,0.0833333333333,"functional substitute"]
["38099-82-0","humectant",0.8072,0.166666666667,"functional substitute"]
["12192-57-3","humectant",0.9572,0.0833333333333,"functional substitute"]
["57-48-7","humectant",0.8915,0,"true positive"]
["527-07-1","humectant",0.8444,0,"candidate alternative"]
["87-81-0","humectant",0.9444,0,"candidate alternative"]
["56180-94-0","humectant",0.9317,0.125,"functional substitute"]
["31282-04-9","humectant",0.9366,0.0416666666667,"functional substitute"]
["37321-09-8","humectant",0.9019,0,"candidate alternative"]
["32986-56-4","humectant",0.895,0,"candidate alternative"]
["25389-94-0","humectant",0.9491,0,"candidate alternative"]
["531-75-9","humectant",0.8141,0.25,"functional substitute"]
["497-76-7","humectant",0.8622,0,"candidate alternative"]
["37517-28-5","humectant",0.8805,0.0625,"functional substitute"]
["18883-66-4","humectant",0.9545,0,"candidate alternative"]
["139110-80-8","humectant",0.8689,0,"candidate alternative"]
["15879-93-3","humectant",0.8636,0.0227272727273,"functional substitute"]
["16376-36-6","humectant",0.8636,0,"candidate alternative"]
["36791-04-5","humectant",0.8113,0.09375,"functional substitute"]
["147-94-4","humectant",0.8079,0,"candidate alternative"]
["3810-74-0","humectant",0.9203,0,"candidate alternative"]
["69-74-9","humectant",0.8079,0.0625,"functional substitute"]
["3131-60-0","humectant",0.8126,0.125,"functional substitute"]
["6284-40-8","humectant",0.8288,0.03125,"functional substitute"]
["1811-31-0","humectant",0.8217,0,"poor prediction"]
["131-48-6","humectant",0.8533,0,"poor prediction"]
["608-66-2","humectant",0.8088,0,"candidate alternative"]
["50-70-4","humectant",0.8088,0,"candidate alternative"]
["69-65-8","humectant",0.8088,0.0208333333333,"functional substitute"]
["19408-46-9","humectant",0.8656,0,"candidate alternative"]
["66-84-2","humectant",0.9624,0.0625,"functional substitute"]
["1772-03-8","humectant",0.9624,0,"candidate alternative"]
["7512-17-6","humectant",0.8217,0,"poor prediction"]
["96-82-2","humectant",0.9586,0,"candidate alternative"]
["4618-18-2","humectant",0.9704,0,"candidate alternative"]
["59-23-4","humectant",0.9679,0,"candidate alternative"]
["50-99-7","humectant",0.9679,0,"candidate alternative"]
["97-30-3","humectant",0.9679,0,"candidate alternative"]
["585-86-4","humectant",0.9679,0.1875,"functional substitute"]
["63-42-3","humectant",0.9678,0,"candidate alternative"]
["7585-39-9","humectant",0.9263,0,"candidate alternative"]
["17465-86-0","humectant",0.9263,0,"candidate alternative"]
["98-79-3","humectant",0.8535,0,"true positive"]
["2627-69-2","humectant",0.8005,0,"candidate alternative"]
["31112-62-6","humectant",0.8404,0,"candidate alternative"]
["57-50-1","humectant",0.9704,0.0227272727273,"functional substitute"]
["544-76-3","lubricating agent",0.8218,0.0625,"functional substitute"]
["629-78-7","lubricating agent",0.8218,0.0625,"functional substitute"]
["1120-04-3","lubricating agent",0.881,0.1875,"functional substitute"]
["27668-52-6","lubricating agent",0.8794,0.166666666667,"poor prediction"]
["57-11-4","lubricating agent",0.9364,0.0833333333333,"functional substitute"]
["7047-84-9","lubricating agent",0.9537,0.0833333333333,"functional substitute"]
["32360-05-7","lubricating agent",0.9206,0,"candidate alternative"]
["142-91-6","lubricating agent",0.8775,0,"candidate alternative"]
["112-39-0","lubricating agent",0.8755,0.0625,"functional substitute"]
["628-97-7","lubricating agent",0.8755,0.0625,"functional substitute"]
["57-10-3","lubricating agent",0.8505,0.0625,"functional substitute"]
["4568-28-9","lubricating agent",0.9364,0.1875,"functional substitute"]
["638-65-3","lubricating agent",0.9031,0.0625,"functional substitute"]
["3386-33-2","lubricating agent",0.8906,0,"candidate alternative"]
["112-82-3","lubricating agent",0.8055,0,"poor prediction"]
["3508-00-7","lubricating agent",0.8055,0,"poor prediction"]
["112-92-5","lubricating agent",0.8187,0,"candidate alternative"]
["544-77-4","lubricating agent",0.8055,0,"poor prediction"]
["4860-03-1","lubricating agent",0.8054,0,"poor prediction"]
["63-89-8","lubricating agent",0.8399,0,"candidate alternative"]
["124-28-7","lubricating agent",0.879,0,"candidate alternative"]
["112-03-8","lubricating agent",0.8926,0.6875,"functional substitute"]
["57-09-0","lubricating agent",0.8073,0.46875,"functional substitute"]
["111-60-4","lubricating agent",0.871,0.0833333333333,"functional substitute"]
["112-02-7","lubricating agent",0.8073,0.375,"functional substitute"]
["555-44-2","lubricating agent",0.8775,0,"candidate alternative"]
["22047-49-0","lubricating agent",0.9643,0,"true positive"]
["661-19-8","lubricating agent",0.8187,0,"candidate alternative"]
["123-94-4","lubricating agent",0.8603,0,"candidate alternative"]
["124-03-8","lubricating agent",0.8083,0.6875,"functional substitute"]
["140-88-5","monomer",0.9149,0,"candidate alternative"]
["1663-39-4","monomer",0.9626,0,"true positive"]
["3524-68-3","monomer",0.9722,0.625,"true positive"]
["923-26-2","monomer",0.9436,0,"true positive"]
["818-61-1","monomer",0.9589,0.0625,"true positive"]
["868-77-9","monomer",0.8808,0,"candidate alternative"]
["2478-10-6","monomer",0.9577,0.0625,"true positive"]
["24615-84-7","monomer",0.9317,0.09375,"true positive"]
["50940-49-3","monomer",0.8383,0.125,"true positive"]
["96-33-3","monomer",0.9296,0,"true positive"]
["96-05-9","monomer",0.9471,0.03125,"true positive"]
["141-32-2","monomer",0.9081,0.0625,"true positive"]
["2370-63-0","monomer",0.9501,0,"true positive"]
["2206-89-5","monomer",0.9111,0,"poor prediction"]
["97-90-5","monomer",0.9359,0,"candidate alternative"]
["4074-88-8","monomer",0.9987,0.5,"true positive"]
["7328-17-8","monomer",0.9933,0,"true positive"]
["48145-04-6","monomer",0.937,0.0625,"candidate alternative"]
["2274-11-5","monomer",0.979,0.375,"functional substitute"]
["106-71-8","monomer",0.9223,0.0625,"candidate alternative"]
["105-16-8","monomer",0.9108,0,"true positive"]
["3775-90-4","monomer",0.8837,0,"candidate alternative"]
["2439-35-2","monomer",0.9125,0,"candidate alternative"]
["4655-34-9","monomer",0.8354,0,"candidate alternative"]
["97-63-2","monomer",0.8114,0,"candidate alternative"]
["80-62-6","monomer",0.8304,0,"candidate alternative"]
["2867-47-2","monomer",0.8638,0,"candidate alternative"]
["106-91-2","monomer",0.9449,0,"true positive"]
["15625-89-5","monomer",0.9605,0.625,"functional substitute"]
["1985-51-9","monomer",0.948,0,"true positive"]
["106-63-8","monomer",0.9552,0,"true positive"]
["2499-95-8","monomer",0.832,0,"candidate alternative"]
["103-11-7","monomer",0.9443,0,"true positive"]
["2495-37-6","monomer",0.8397,0,"true positive"]
["7779-31-9","monomer",0.8737,0,"true positive"]
["7534-94-3","monomer",0.8119,0.03125,"candidate alternative"]
["3290-92-4","monomer",0.8457,0.03125,"candidate alternative"]
["42594-17-2","monomer",0.9429,0.125,"true positive"]
["2455-24-5","monomer",0.8806,0,"candidate alternative"]
["2082-81-7","monomer",0.9042,0,"candidate alternative"]
["6606-59-3","monomer",0.9373,0,"true positive"]
["13048-33-4","monomer",0.9779,0.28125,"true positive"]
["1070-70-8","monomer",0.99,0.3125,"true positive"]
["1189-08-8","monomer",0.8935,0,"candidate alternative"]
["2399-48-6","monomer",0.9369,0,"true positive"]
["10595-06-9","monomer",0.9417,0.0625,"true positive"]
["109-16-0","monomer",0.9539,0,"candidate alternative"]
["2358-84-1","monomer",0.9845,0,"true positive"]
["5919-74-4","monomer",0.9123,0,"true positive"]
["109-17-1","monomer",0.8943,0,"candidate alternative"]
["7446-81-3","monomer",0.8544,0,"true positive"]
["79-10-7","monomer",0.8617,0,"true positive"]
["7351-61-3","monomer",0.8114,0,"poor prediction"]
["2530-85-0","monomer",0.8196,0,"poor prediction"]
["2495-39-8","monomer",0.874,0,"true positive"]
["3039-83-6","monomer",0.8564,0,"candidate alternative"]
["52556-42-0","monomer",0.8392,0,"true positive"]
["5165-97-9","monomer",0.9253,0,"true positive"]
["15214-89-8","monomer",0.9324,0,"true positive"]
["2499-59-4","monomer",0.945,0,"true positive"]
["2156-96-9","monomer",0.9422,0,"candidate alternative"]
["3179-47-3","monomer",0.9268,0,"true positive"]
["6701-13-9","monomer",0.8953,0,"candidate alternative"]
["32360-05-7","monomer",0.9639,0,"true positive"]
["2495-25-2","monomer",0.9547,0.0625,"true positive"]
["142-90-5","monomer",0.9385,0,"candidate alternative"]
["17831-71-9","monomer",0.9805,0.4375,"functional substitute"]
["4986-89-4","monomer",0.9755,0.625,"true positive"]
["42978-66-5","monomer",0.9824,0.5625,"true positive"]
["32435-46-4","monomer",0.9554,0.0625,"true positive"]
["2210-25-5","monomer",0.8863,0,"true positive"]
["107-58-4","monomer",0.8045,0,"candidate alternative"]
["40220-08-4","monomer",0.9156,0.5625,"true positive"]
["60506-81-2","monomer",0.9147,0.6875,"true positive"]
["79-06-1","monomer",0.8174,0.03125,"candidate alternative"]
["110-26-9","monomer",0.8024,0,"candidate alternative"]
["44992-01-0","monomer",0.9624,0,"candidate alternative"]
["5039-78-1","monomer",0.9618,0,"true positive"]
["16969-10-1","monomer",0.9299,0.1875,"true positive"]
["104653-34-1","organic pigment",0.8849,0.25,"functional substitute"]
["95233-18-4","organic pigment",0.8638,0.25,"poor prediction"]
["481-74-3","organic pigment",0.8313,0.0625,"candidate alternative"]
["117-10-2","organic pigment",0.847,0,"candidate alternative"]
["81-48-1","organic pigment",0.9546,0,"true positive"]
["15791-78-3","organic pigment",0.847,0.125,"functional substitute"]
["81-55-0","organic pigment",0.8541,0.625,"functional substitute"]
["81-64-1","organic pigment",0.8306,0.0625,"true positive"]
["8003-22-3","organic pigment",0.8133,0.0625,"candidate alternative"]
["2447-54-3","organic pigment",0.8072,0.6875,"poor prediction"]
["518-82-1","organic pigment",0.8579,0.375,"functional substitute"]
["83-79-4","organic pigment",0.8126,0.375,"poor prediction"]
["81-49-2","organic pigment",0.8203,0.0625,"candidate alternative"]
["5424-37-3","organic pigment",0.8448,0.125,"poor prediction"]
["3105-97-3","organic pigment",0.8689,0.5,"poor prediction"]
["14233-37-5","organic pigment",0.8732,0,"candidate alternative"]
["130-20-1","organic pigment",0.9748,0.0625,"candidate alternative"]
["85-83-6","organic pigment",0.88,0.125,"functional substitute"]
["3717-88-2","organic pigment",0.8242,0,"poor prediction"]
["220127-57-1","organic pigment",0.8696,0.25,"poor prediction"]
["146939-27-7","organic pigment",0.8896,0.285714285714,"poor prediction"]
["21590-92-1","organic pigment",0.8048,0,"poor prediction"]
["13412-64-1","organic pigment",0.8425,0,"poor prediction"]
["1538-09-6","organic pigment",0.8256,0,"poor prediction"]
["35531-88-5","organic pigment",0.8166,0.0833333333333,"poor prediction"]
["22662-39-1","organic pigment",0.8362,0.125,"poor prediction"]
["77883-43-3","organic pigment",0.8458,0,"poor prediction"]
["57808-65-8","organic pigment",0.8293,0.0625,"poor prediction"]
["10319-14-9","organic pigment",0.976,0.0625,"true positive"]
["24166-13-0","organic pigment",0.841,0,"poor prediction"]
["65277-42-1","organic pigment",0.8927,0.5,"poor prediction"]
["37561-27-6","organic pigment",0.8655,0.125,"poor prediction"]
["108319-06-8","organic pigment",0.8156,0,"poor prediction"]
["1552-42-7","organic pigment",0.8294,0.25,"poor prediction"]
["71125-38-7","organic pigment",0.8265,0.05,"poor prediction"]
["33342-05-1","organic pigment",0.8502,0.0625,"poor prediction"]
["25614-03-3","organic pigment",0.8108,0.25,"poor prediction"]
["379-79-3","organic pigment",0.8504,0.181818181818,"poor prediction"]
["171596-29-5","organic pigment",0.8978,0,"poor prediction"]
["14008-48-1","organic pigment",0.8619,0.1875,"poor prediction"]
["82626-48-0","organic pigment",0.8124,0.0625,"poor prediction"]
["64-86-8","organic pigment",0.8083,0.0208333333333,"poor prediction"]
["72702-95-5","organic pigment",0.869,0,"poor prediction"]
["135-57-9","organic pigment",0.8392,0.4375,"poor prediction"]
["71422-67-8","organic pigment",0.89,0.1875,"poor prediction"]
["116714-46-6","organic pigment",0.8057,0,"poor prediction"]
["129722-12-9","organic pigment",0.8141,0.3125,"poor prediction"]
["51022-74-3","organic pigment",0.825,0,"poor prediction"]
["74050-98-9","organic pigment",0.8906,0,"poor prediction"]
["28797-61-7","organic pigment",0.884,0,"poor prediction"]
["57808-66-9","organic pigment",0.8039,0.1875,"poor prediction"]
["87051-43-2","organic pigment",0.8126,0.0625,"poor prediction"]
["106266-06-2","organic pigment",0.8507,0,"poor prediction"]
["26807-65-8","organic pigment",0.8605,0,"poor prediction"]
["272451-65-7","organic pigment",0.8512,0,"poor prediction"]
["86811-58-7","organic pigment",0.8966,0,"poor prediction"]
["173584-44-6","organic pigment",0.8195,0.25,"poor prediction"]
["101463-69-8","organic pigment",0.8256,0.25,"poor prediction"]
["10238-21-8","organic pigment",0.8565,0.125,"poor prediction"]
["7775-27-1","oxidizer",0.9037,0.03125,"functional substitute"]
["7727-21-1","oxidizer",0.9037,0,"candidate alternative"]
["7681-52-9","oxidizer",0.849,0,"candidate alternative"]
["7681-38-1","oxidizer",0.8053,0,"candidate alternative"]
["7778-74-7","oxidizer",0.9089,0.0625,"functional substitute"]
["7775-09-9","oxidizer",0.9089,0,"candidate alternative"]
["3811-04-9","oxidizer",0.9089,0,"true positive"]
["7758-19-2","oxidizer",0.9089,0,"true positive"]
["7789-38-0","oxidizer",0.9089,0,"true positive"]
["6419-19-8","oxidizer",0.8126,0,"true positive"]
["49562-28-9","photoinitiator",0.8221,0.1875,"poor prediction"]
["129-15-7","photoinitiator",0.8135,0.3125,"poor prediction"]
["83-12-5","photoinitiator",0.8152,0,"poor prediction"]
["3691-35-8","photoinitiator",0.8681,0.375,"poor prediction"]
["82-66-6","photoinitiator",0.8923,0.125,"candidate alternative"]
["2421-28-5","photoinitiator",0.8491,0,"poor prediction"]
["90-54-0","photoinitiator",0.8314,0.0625,"poor prediction"]
["3644-61-9","photoinitiator",0.8609,0.0357142857143,"poor prediction"]
["131-57-7","photoinitiator",0.8639,0.125,"candidate alternative"]
["131-53-3","photoinitiator",0.8186,0,"candidate alternative"]
["1470-57-1","photoinitiator",0.886,0,"candidate alternative"]
["1641-17-4","photoinitiator",0.8271,0.142857142857,"functional substitute"]
["42019-78-3","photoinitiator",0.835,0.3125,"poor prediction"]
["85-19-8","photoinitiator",0.8933,0.0625,"candidate alternative"]
["5809-23-4","photoinitiator",0.8089,0.15625,"functional substitute"]
["1222-98-6","photoinitiator",0.8223,0.0625,"poor prediction"]
["22071-15-4","photoinitiator",0.8003,0,"candidate alternative"]
["141112-29-0","photoinitiator",0.8199,0,"poor prediction"]
["70356-09-1","photoinitiator",0.8199,0.09375,"poor prediction"]
["71868-10-5","photoinitiator",0.9342,0.125,"true positive"]
["84-54-8","photoinitiator",0.8596,0.1875,"poor prediction"]
["90-94-8","photoinitiator",0.9249,0.21875,"functional substitute"]
["784-38-3","photoinitiator",0.8658,0,"poor prediction"]
["2039-76-1","photoinitiator",0.8821,0.125,"candidate alternative"]
["781-73-7","photoinitiator",0.8961,0.125,"poor prediction"]
["451-40-1","photoinitiator",0.9419,0.0625,"candidate alternative"]
["120-46-7","photoinitiator",0.9379,0.1875,"functional substitute"]
["24650-42-8","photoinitiator",0.9676,0.125,"true positive"]
["134-84-9","photoinitiator",0.9851,0.0625,"true positive"]
["947-19-3","photoinitiator",0.9093,0,"true positive"]
["106797-53-9","photoinitiator",0.8904,0,"true positive"]
["5495-84-1","photoinitiator",0.8866,0.125,"true positive"]
["84-51-5","photoinitiator",0.8339,0.125,"poor prediction"]
["35578-47-3","photoinitiator",0.8297,0,"poor prediction"]
["90-98-2","photoinitiator",0.9071,0,"candidate alternative"]
["4252-78-2","photoinitiator",0.8559,0.136363636364,"poor prediction"]
["13608-87-2","photoinitiator",0.8223,0,"poor prediction"]
["90-69-7","photoinitiator",0.8213,0,"poor prediction"]
["31431-39-7","photoinitiator",0.8276,0.0625,"poor prediction"]
["3598-37-6","photoinitiator",0.8653,0,"candidate alternative"]
["119313-12-1","photoinitiator",0.8127,0.125,"poor prediction"]
["134-80-5","photoinitiator",0.8467,0,"candidate alternative"]
["63213-29-6","photoinitiator",0.8642,0.0625,"candidate alternative"]
["140-49-8","photoinitiator",0.809,0.21875,"poor prediction"]
["58394-64-2","plasticizer",0.9302,0,"true positive"]
["117-81-7","plasticizer",0.9701,0,"candidate alternative"]
["89-04-3","plasticizer",0.9131,0,"true positive"]
["117-84-0","plasticizer",0.9753,0.0227272727273,"true positive"]
["84-76-4","plasticizer",0.9725,0,"candidate alternative"]
["3648-20-2","plasticizer",0.934,0,"true positive"]
["119-07-3","plasticizer",0.9333,0,"candidate alternative"]
["6422-86-2","plasticizer",0.9675,0,"candidate alternative"]
["84-77-5","plasticizer",0.934,0.0625,"candidate alternative"]
["4196-89-8","plasticizer",0.8934,0.0625,"true positive"]
["68052-23-3","plasticizer",0.9567,0.125,"true positive"]
["3622-84-2","plasticizer",0.8168,0,"true positive"]
["70-55-3","plasticizer",0.8416,0,"true positive"]
["88-19-7","plasticizer",0.843,0,"true positive"]
["85-70-1","plasticizer",0.8388,0,"candidate alternative"]
["84-61-7","plasticizer",0.8862,0.125,"true positive"]
["3319-31-1","plasticizer",0.8886,0.03125,"candidate alternative"]
["77-90-7","plasticizer",0.8238,0,"candidate alternative"]
["1241-94-7","plasticizer",0.8559,0,"candidate alternative"]
["78-42-2","plasticizer",0.8668,0.09375,"true positive"]
["103-23-1","plasticizer",0.8386,0.03125,"candidate alternative"]
["82469-79-2","plasticizer",0.877,0,"true positive"]
["141-19-5","plasticizer",0.8141,0,"candidate alternative"]
["103-24-2","plasticizer",0.8889,0.03125,"true positive"]
["122-62-3","plasticizer",0.8751,0,"candidate alternative"]
["85-68-7","plasticizer",0.9135,0.125,"true positive"]
["2432-87-3","plasticizer",0.8167,0,"candidate alternative"]
["4376-20-9","plasticizer",0.8337,0.125,"functional substitute"]
["85-69-8","plasticizer",0.8765,0,"candidate alternative"]
["131-18-0","plasticizer",0.8018,0,"candidate alternative"]
["84-75-3","plasticizer",0.8557,0.03125,"candidate alternative"]
["141-17-3","plasticizer",0.8674,0.03125,"true positive"]
["94-28-0","plasticizer",0.8772,0,"candidate alternative"]
["117-83-9","plasticizer",0.9195,0.0625,"true positive"]
["18268-70-7","plasticizer",0.8658,0,"candidate alternative"]
["125401-92-5","preservative",0.8001,0,"poor prediction"]
["102-98-7","preservative",0.8916,0.75,"true positive"]
["62-38-4","preservative",0.9118,0.729166666667,"true positive"]
["587-85-9","preservative",0.8195,0.0625,"candidate alternative"]
["74-11-3","preservative",0.8363,0,"candidate alternative"]
["59-85-8","preservative",0.9513,0.375,"functional substitute"]
["535-80-8","preservative",0.8363,0,"candidate alternative"]
["118-91-2","preservative",0.8363,0,"candidate alternative"]
["133-10-8","preservative",0.831,0,"candidate alternative"]
["100-56-1","preservative",0.9059,0.6875,"true positive"]
["89-57-6","preservative",0.831,0,"candidate alternative"]
["485-89-2","preservative",0.8155,0.25,"poor prediction"]
["552-16-9","preservative",0.8647,0,"candidate alternative"]
["121-92-6","preservative",0.8647,0,"candidate alternative"]
["62-23-7","preservative",0.8647,0,"candidate alternative"]
["618-88-2","preservative",0.8647,0,"candidate alternative"]
["1141-38-4","preservative",0.8464,0,"candidate alternative"]
["723-62-6","preservative",0.8459,0.125,"candidate alternative"]
["51-44-5","preservative",0.8227,0,"poor prediction"]
["100-21-0","preservative",0.8763,0,"candidate alternative"]
["619-65-8","preservative",0.8608,0,"candidate alternative"]
["619-67-0","preservative",0.8733,0.0625,"candidate alternative"]
["1679-64-7","preservative",0.8867,0,"candidate alternative"]
["78491-02-8","preservative",0.8077,0,"true positive"]
["50-45-3","preservative",0.8227,0,"poor prediction"]
["623-07-4","preservative",0.8577,0.541666666667,"functional substitute"]
["50-79-3","preservative",0.8309,0,"candidate alternative"]
["131-67-9","preservative",0.8411,0,"poor prediction"]
["87-19-4","preservative",0.9755,0,"candidate alternative"]
["607-90-9","preservative",0.9595,0,"candidate alternative"]
["65405-77-8","preservative",0.8574,0,"candidate alternative"]
["119-36-8","preservative",0.988,0.0227272727273,"candidate alternative"]
["118-61-6","preservative",0.9771,0.0357142857143,"candidate alternative"]
["553-70-8","preservative",0.937,0,"true positive"]
["65-85-0","preservative",0.937,0.0625,"candidate alternative"]
["582-25-2","preservative",0.937,0,"true positive"]
["4376-18-5","preservative",0.8867,0,"candidate alternative"]
["50-31-7","preservative",0.8083,0.0625,"poor prediction"]
["50-30-6","preservative",0.8296,0,"candidate alternative"]
["88-82-4","preservative",0.8083,0.125,"poor prediction"]
["6054-98-4","preservative",0.947,0,"candidate alternative"]
["599-79-1","preservative",0.8334,0,"poor prediction"]
["81-90-3","preservative",0.8759,0,"candidate alternative"]
["132-54-7","preservative",0.9418,0.0625,"candidate alternative"]
["133-11-9","preservative",0.8002,0.125,"candidate alternative"]
["90-03-9","preservative",0.8577,0.75,"functional substitute"]
["3337-62-0","preservative",0.9244,0,"candidate alternative"]
["320-72-9","preservative",0.9143,0,"candidate alternative"]
["22494-42-4","preservative",0.9278,0,"candidate alternative"]
["51-36-5","preservative",0.8296,0,"candidate alternative"]
["50-84-0","preservative",0.8296,0,"candidate alternative"]
["2243-76-7","preservative",0.924,0.3125,"functional substitute"]
["88-86-8","preservative",0.822,0,"poor prediction"]
["16712-64-4","preservative",0.9581,0,"candidate alternative"]
["54-64-8","preservative",0.9158,0.71875,"true positive"]
["94-26-8","preservative",0.9246,0.1875,"candidate alternative"]
["94-13-3","preservative",0.9595,0.142857142857,"candidate alternative"]
["4247-02-3","preservative",0.9755,0.25,"true positive"]
["87-18-3","preservative",0.8008,0.125,"candidate alternative"]
["1085-12-7","preservative",0.8639,0.28125,"candidate alternative"]
["1083-27-8","preservative",0.8639,0.15625,"candidate alternative"]
["5153-25-3","preservative",0.891,0.3125,"functional substitute"]
["1466-76-8","preservative",0.8185,0,"candidate alternative"]
["528-44-9","preservative",0.8763,0,"candidate alternative"]
["554-95-0","preservative",0.8763,0,"candidate alternative"]
["89-05-4","preservative",0.8763,0,"candidate alternative"]
["877-24-7","preservative",0.8763,0,"candidate alternative"]
["88-99-3","preservative",0.8763,0,"candidate alternative"]
["121-91-5","preservative",0.8763,0,"candidate alternative"]
["556-08-1","preservative",0.8206,0,"candidate alternative"]
["60875-16-3","preservative",0.8294,0.0625,"poor prediction"]
["6064-83-1","preservative",0.8304,0,"candidate alternative"]
["104-98-3","preservative",0.8038,0.0625,"candidate alternative"]
["110-16-7","preservative",0.8151,0.0208333333333,"candidate alternative"]
["110-17-8","preservative",0.8151,0.0625,"candidate alternative"]
["2079-89-2","preservative",0.8151,0,"candidate alternative"]
["3724-65-0","preservative",0.8151,0.0625,"candidate alternative"]
["110-44-1","preservative",0.933,0.0227272727273,"true positive"]
["17696-61-6","preservative",0.9433,0.15625,"candidate alternative"]
["24634-61-5","preservative",0.933,0,"true positive"]
["138-41-0","preservative",0.812,0,"poor prediction"]
["122-64-5","preservative",0.8387,0.75,"functional substitute"]
["2743-38-6","preservative",0.8602,0.0625,"candidate alternative"]
["827-95-2","preservative",0.8647,0,"candidate alternative"]
["532-32-1","preservative",0.937,0,"candidate alternative"]
["24589-77-3","preservative",0.8733,0,"candidate alternative"]
["80-13-7","preservative",0.8066,0.0625,"poor prediction"]
["6521-29-5","preservative",0.9246,0.25,"candidate alternative"]
["118-60-5","preservative",0.891,0.0625,"candidate alternative"]
["3943-89-3","preservative",0.9771,0,"candidate alternative"]
["147-93-3","preservative",0.8133,0,"candidate alternative"]
["99-06-9","preservative",0.998,0,"candidate alternative"]
["99-96-7","preservative",0.998,0.03125,"true positive"]
["69-72-7","preservative",0.998,0.0227272727273,"candidate alternative"]
["552-94-3","preservative",0.9997,0.0625,"candidate alternative"]
["65-45-2","preservative",0.8676,0,"candidate alternative"]
["92-70-6","preservative",0.9581,0.15625,"candidate alternative"]
["31519-22-9","preservative",0.9581,0.375,"functional substitute"]
["16283-36-6","preservative",0.998,0,"candidate alternative"]
["54-21-7","preservative",0.998,0,"true positive"]
["99-26-3","preservative",0.9485,0.333333333333,"functional substitute"]
["149-91-7","preservative",0.998,0.03125,"candidate alternative"]
["99-50-3","preservative",0.998,0,"candidate alternative"]
["89-86-1","preservative",0.998,0,"candidate alternative"]
["5663-71-8","preservative",0.8396,0,"poor prediction"]
["83-40-9","preservative",0.8518,0,"candidate alternative"]
["526-18-1","preservative",0.8396,0.166666666667,"candidate alternative"]
["118-57-0","preservative",0.9146,0,"candidate alternative"]
["87-28-5","preservative",0.8561,0,"candidate alternative"]
["121-79-9","preservative",0.9595,0.159090909091,"candidate alternative"]
["118-58-1","preservative",0.8269,0.03125,"candidate alternative"]
["607-88-5","preservative",0.8199,0,"candidate alternative"]
["94-18-8","preservative",0.8269,0.21875,"candidate alternative"]
["4707-47-5","preservative",0.8057,0,"candidate alternative"]
["3739-38-6","preservative",0.8688,0,"candidate alternative"]
["17696-62-7","preservative",0.9874,0.15625,"true positive"]
["25804-49-3","preservative",0.9648,0.1875,"candidate alternative"]
["99-76-3","preservative",0.988,0.0416666666667,"candidate alternative"]
["120-47-8","preservative",0.9771,0.0625,"candidate alternative"]
["1401-55-4","preservative",0.8573,0.357142857143,"poor prediction"]
["331-39-5","preservative",0.8546,0.0625,"poor prediction"]
["87-17-2","preservative",0.854,0.375,"functional substitute"]
["118-55-8","preservative",0.9874,0.0625,"candidate alternative"]
["107-96-0","reducer",0.8775,0.0625,"true positive"]
["68-11-1","reducer",0.9932,0,"true positive"]
["5138-18-1","reducer",0.8256,0,"candidate alternative"]
["70-18-8","reducer",0.8535,0,"true positive"]
["52-67-5","reducer",0.9827,0,"candidate alternative"]
["52-89-1","reducer",0.9942,0,"true positive"]
["616-91-1","reducer",0.9272,0.03125,"poor prediction"]
["34592-47-7","reducer",0.8053,0,"poor prediction"]
["18598-63-5","reducer",0.8086,0.0833333333333,"poor prediction"]
["56-89-3","reducer",0.9076,0,"candidate alternative"]
["5421-46-5","reducer",0.9932,0,"true positive"]
["156-57-0","reducer",0.8264,0,"true positive"]
["60-23-1","reducer",0.8264,0,"candidate alternative"]
["59-52-9","reducer",0.8035,0.166666666667,"functional substitute"]
["1072-71-5","reducer",0.8022,0.0625,"poor prediction"]
["7783-18-8","reducer",0.8549,0,"poor prediction"]
["96-27-5","reducer",0.8558,0.03125,"true positive"]
["3374-22-9","reducer",0.9942,0,"true positive"]
["4532-64-3","reducer",0.8031,0,"poor prediction"]
["1953-02-2","reducer",0.9159,0,"poor prediction"]
["3027-21-2","rheology modifier",0.8986,0,"candidate alternative"]
["82985-35-1","rheology modifier",0.9579,0,"candidate alternative"]
["919-30-2","rheology modifier",0.938,0,"candidate alternative"]
["2469-55-8","rheology modifier",0.938,0.0625,"functional substitute"]
["84962-98-1","rheology modifier",0.9259,0,"candidate alternative"]
["2943-75-1","rheology modifier",0.892,0,"true positive"]
["1185-55-3","rheology modifier",0.9492,0,"candidate alternative"]
["1112-39-6","rheology modifier",0.9492,0,"candidate alternative"]
["15332-99-7","rheology modifier",0.874,0,"candidate alternative"]
["78-08-0","rheology modifier",0.8755,0,"candidate alternative"]
["1760-24-3","rheology modifier",0.9589,0,"candidate alternative"]
["4130-08-9","rheology modifier",0.8347,0,"candidate alternative"]
["2768-02-7","rheology modifier",0.874,0,"candidate alternative"]
["1067-53-4","rheology modifier",0.8578,0,"candidate alternative"]
["2530-85-0","rheology modifier",0.8162,0,"candidate alternative"]
["23779-32-0","rheology modifier",0.8573,0,"candidate alternative"]
["17945-05-0","rheology modifier",0.8594,0,"candidate alternative"]
["23432-62-4","rheology modifier",0.8594,0,"candidate alternative"]
["26115-70-8","rheology modifier",0.8383,0,"candidate alternative"]
["40372-72-3","rheology modifier",0.9416,0,"candidate alternative"]
["3068-76-6","rheology modifier",0.8928,0,"candidate alternative"]
["2627-95-4","rheology modifier",0.874,0,"candidate alternative"]
["68959-20-6","rheology modifier",0.8504,0.25,"functional substitute"]
["541-05-9","rheology modifier",0.9492,0,"candidate alternative"]
["1873-88-7","rheology modifier",0.9481,0,"candidate alternative"]
["78-07-9","rheology modifier",0.9506,0,"candidate alternative"]
["2031-67-6","rheology modifier",0.9506,0,"candidate alternative"]
["14814-09-6","rheology modifier",0.9458,0,"candidate alternative"]
["4420-74-0","rheology modifier",0.9458,0,"candidate alternative"]
["780-69-8","rheology modifier",0.9025,0,"candidate alternative"]
["2761-24-2","rheology modifier",0.9253,0,"candidate alternative"]
["2996-92-1","rheology modifier",0.8986,0,"candidate alternative"]
["5089-70-3","rheology modifier",0.9155,0,"candidate alternative"]
["2530-87-2","rheology modifier",0.9155,0,"candidate alternative"]
["107-46-0","rheology modifier",0.9481,0.0227272727273,"candidate alternative"]
["17689-77-9","rheology modifier",0.9065,0,"candidate alternative"]
["2530-83-8","rheology modifier",0.9423,0.03125,"candidate alternative"]
["919-31-3","rheology modifier",0.9416,0,"candidate alternative"]
["2897-60-1","rheology modifier",0.9423,0,"candidate alternative"]
["556-67-2","rheology modifier",0.9492,0,"candidate alternative"]
["1000-05-1","rheology modifier",0.9492,0,"true positive"]
["541-02-6","rheology modifier",0.9492,0,"candidate alternative"]
["2554-06-5","rheology modifier",0.874,0,"candidate alternative"]
["22984-54-9","rheology modifier",0.9262,0,"candidate alternative"]
["107-51-7","rheology modifier",0.9481,0,"candidate alternative"]
["4253-34-3","rheology modifier",0.9066,0,"candidate alternative"]
["1067-25-0","rheology modifier",0.9273,0,"candidate alternative"]
["17980-47-1","rheology modifier",0.9135,0.0625,"functional substitute"]
["1465-25-4","rubber additive",0.8384,0.104166666667,"candidate alternative"]
["50-63-5","rubber additive",0.8569,0,"candidate alternative"]
["27589-33-9","rubber additive",0.8334,0,"poor prediction"]
["40487-42-1","rubber additive",0.817,0,"candidate alternative"]
["33629-47-9","rubber additive",0.8214,0.0625,"candidate alternative"]
["793-24-8","rubber additive",0.9651,0.625,"true positive"]
["101-72-4","rubber additive",0.9582,0.363636363636,"true positive"]
["26259-45-0","rubber additive",0.8221,0,"candidate alternative"]
["22936-75-0","rubber additive",0.8418,0,"candidate alternative"]
["4658-28-0","rubber additive",0.8278,0,"poor prediction"]
["834-12-8","rubber additive",0.8347,0,"poor prediction"]
["7287-19-6","rubber additive",0.8283,0,"poor prediction"]
["1610-18-0","rubber additive",0.804,0,"candidate alternative"]
["1912-24-9","rubber additive",0.8157,0,"poor prediction"]
["1610-17-9","rubber additive",0.8093,0,"candidate alternative"]
["3068-76-6","rubber additive",0.8883,0,"candidate alternative"]
["63-45-6","rubber additive",0.8412,0.0625,"candidate alternative"]
["15233-47-3","rubber additive",0.9427,0.25,"true positive"]
["768-52-5","rubber additive",0.9582,0,"candidate alternative"]
["139-40-2","rubber additive",0.8104,0,"poor prediction"]
["100-61-8","rubber additive",0.9172,0,"candidate alternative"]
["103-69-5","rubber additive",0.9185,0,"candidate alternative"]
["56038-89-2","rubber additive",0.8242,0,"candidate alternative"]
["1126-78-9","rubber additive",0.9144,0.0625,"candidate alternative"]
["100-15-2","rubber additive",0.862,0.0625,"candidate alternative"]
["101-96-2","rubber additive",0.9313,0.625,"functional substitute"]
["61-19-8","skin conditioner",0.9928,0,"true positive"]
["2627-69-2","skin conditioner",0.8274,0,"candidate alternative"]
["56-65-5","skin conditioner",0.9915,0,"true positive"]
["60-92-4","skin conditioner",0.9776,0,"true positive"]
["21679-14-1","skin conditioner",0.9275,0,"candidate alternative"]
["4291-63-8","skin conditioner",0.8565,0.0714285714286,"functional substitute"]
["519-37-9","skin conditioner",0.8798,0,"candidate alternative"]
["58-61-7","skin conditioner",0.971,0,"true positive"]
["82410-32-0","skin conditioner",0.8587,0,"poor prediction"]
["537-55-3","skin conditioner",0.9107,0,"true positive"]
["32462-30-9","skin conditioner",0.8731,0,"candidate alternative"]
["672-87-7","skin conditioner",0.8103,0,"candidate alternative"]
["60-18-4","skin conditioner",0.829,0,"candidate alternative"]
["59-92-7","skin conditioner",0.8,0,"candidate alternative"]
["495-69-2","skin conditioner",0.8181,0,"candidate alternative"]
["65-86-1","skin conditioner",0.9497,0,"true positive"]
["5006-66-6","skin conditioner",0.8652,0,"candidate alternative"]
["18699-02-0","skin conditioner",0.8253,0.03125,"candidate alternative"]
["22252-43-3","skin conditioner",0.8048,0,"poor prediction"]
["551-16-6","skin conditioner",0.8259,0,"poor prediction"]
["134678-17-4","skin conditioner",0.8685,0,"poor prediction"]
["143491-57-0","skin conditioner",0.8106,0.0833333333333,"poor prediction"]
["58-55-9","skin conditioner",0.9473,0.0208333333333,"true positive"]
["7724-76-7","skin conditioner",0.8698,0.25,"functional substitute"]
["83-67-0","skin conditioner",0.9054,0,"candidate alternative"]
["69-93-2","skin conditioner",0.9075,0,"candidate alternative"]
["68-94-0","skin conditioner",0.942,0,"candidate alternative"]
["2465-59-0","skin conditioner",0.8788,0,"candidate alternative"]
["5502-78-3","skin conditioner",0.9339,0,"candidate alternative"]
["938-85-2","skin conditioner",0.9441,0,"candidate alternative"]
["118-29-6","skin conditioner",0.8086,0,"candidate alternative"]
["54-62-6","skin conditioner",0.8048,0.0357142857143,"candidate alternative"]
["59-30-3","skin conditioner",0.8834,0.0625,"true positive"]
["61-78-9","skin conditioner",0.8342,0,"candidate alternative"]
["4097-22-7","skin conditioner",0.859,0,"candidate alternative"]
["83-88-5","skin conditioner",0.8087,0.116666666667,"functional substitute"]
["69655-05-6","skin conditioner",0.9164,0.0208333333333,"candidate alternative"]
["142217-69-4","skin conditioner",0.862,0,"candidate alternative"]
["59277-89-3","skin conditioner",0.8469,0,"poor prediction"]
["58-08-2","skin conditioner",0.8881,0.0625,"candidate alternative"]
["603-00-9","skin conditioner",0.9173,0,"candidate alternative"]
["22888-70-6","skin conditioner",0.9174,0.09375,"true positive"]
["66-72-8","skin conditioner",0.8363,0,"candidate alternative"]
["154-87-0","skin conditioner",0.8201,0,"true positive"]
["41468-25-1","skin conditioner",0.8764,0,"candidate alternative"]
["55-22-1","skin conditioner",0.8049,0,"candidate alternative"]
["89-00-9","skin conditioner",0.8874,0,"candidate alternative"]
["499-83-2","skin conditioner",0.8941,0.0625,"candidate alternative"]
["1081-50-1","skin conditioner",0.8065,0,"candidate alternative"]
["2398-81-4","skin conditioner",0.8367,0,"candidate alternative"]
["154-42-7","skin conditioner",0.8481,0.283333333333,"poor prediction"]
["56-04-2","skin conditioner",0.8133,0.0208333333333,"candidate alternative"]
["6112-76-1","skin conditioner",0.8099,0.1875,"poor prediction"]
["2107-76-8","skin conditioner",0.9003,0.0625,"candidate alternative"]
["90-33-5","skin conditioner",0.8676,0.125,"functional substitute"]
["446-72-0","skin conditioner",0.9612,0.354166666667,"true positive"]
["491-80-5","skin conditioner",0.9201,0.34375,"functional substitute"]
["486-66-8","skin conditioner",0.9457,0.25,"functional substitute"]
["485-72-3","skin conditioner",0.9049,0.25,"functional substitute"]
["480-40-0","skin conditioner",0.9257,0.4375,"true positive"]
["520-36-5","skin conditioner",0.9623,0.40625,"functional substitute"]
["107-51-7","skin conditioner",0.846,0,"true positive"]
["479-18-5","skin conditioner",0.9486,0,"true positive"]
["98-92-0","skin conditioner",0.8263,0,"candidate alternative"]
["553-53-7","skin conditioner",0.8005,0.0625,"candidate alternative"]
["315-30-0","skin conditioner",0.8415,0,"poor prediction"]
["491-36-1","skin conditioner",0.8085,0.125,"poor prediction"]
["1415-73-2","skin conditioner",0.8413,0.166666666667,"functional substitute"]
["68-26-8","skin conditioner",0.8622,0.136363636364,"true positive"]
["472-86-6","skin conditioner",0.828,0.3125,"functional substitute"]
["116-31-4","skin conditioner",0.828,0.75,"true positive"]
["127-47-9","skin conditioner",0.8472,0.145833333333,"true positive"]
["127-40-2","skin conditioner",0.8674,0.0833333333333,"true positive"]
["1453-82-3","skin conditioner",0.8539,0,"true positive"]
["144-68-3","skin conditioner",0.8362,0.25,"functional substitute"]
["5508-58-7","skin conditioner",0.8406,0.0833333333333,"true positive"]
["41078-02-8","skin conditioner",0.8397,0,"candidate alternative"]
["7491-74-9","skin conditioner",0.9291,0,"true positive"]
["304-17-6","skin conditioner",0.8032,0,"true positive"]
["1188-21-2","skin conditioner",0.8579,0.0625,"candidate alternative"]
["73-24-5","skin conditioner",0.919,0,"true positive"]
["1882-26-4","skin conditioner",0.8361,0,"true positive"]
["54-85-3","skin conditioner",0.8145,0.0208333333333,"candidate alternative"]
["525-79-1","skin conditioner",0.9183,0,"true positive"]
["471-53-4","skin conditioner",0.8216,0.125,"true positive"]
["149-91-7","skin conditioner",0.8312,0.03125,"candidate alternative"]
["7481-89-2","skin conditioner",0.9054,0,"candidate alternative"]
["32449-92-6","skin conditioner",0.8703,0.0357142857143,"true positive"]
["90-80-2","skin conditioner",0.8155,0,"candidate alternative"]
["58-86-6","skin conditioner",0.8472,0,"candidate alternative"]
["1114-34-7","skin conditioner",0.8472,0,"candidate alternative"]
["19408-46-9","skin conditioner",0.8477,0,"poor prediction"]
["66-84-2","skin conditioner",0.9019,0.0625,"candidate alternative"]
["69-65-8","skin conditioner",0.8397,0.0208333333333,"candidate alternative"]
["1772-03-8","skin conditioner",0.9019,0,"candidate alternative"]
["4618-18-2","skin conditioner",0.9769,0,"true positive"]
["57-50-1","skin conditioner",0.9632,0.0227272727273,"candidate alternative"]
["59-23-4","skin conditioner",0.9363,0,"true positive"]
["50-99-7","skin conditioner",0.9338,0,"candidate alternative"]
["97-30-3","skin conditioner",0.9367,0,"candidate alternative"]
["585-86-4","skin conditioner",0.9569,0.1875,"true positive"]
["96-82-2","skin conditioner",0.858,0,"candidate alternative"]
["63-42-3","skin conditioner",0.9841,0,"true positive"]
["50-70-4","skin conditioner",0.8397,0,"candidate alternative"]
["87-89-8","skin conditioner",0.8905,0,"true positive"]
["36791-04-5","skin conditioner",0.8239,0.09375,"poor prediction"]
["147-94-4","skin conditioner",0.9376,0,"candidate alternative"]
["69-74-9","skin conditioner",0.9032,0.0625,"candidate alternative"]
["3131-60-0","skin conditioner",0.8692,0.125,"poor prediction"]
["320-67-2","skin conditioner",0.8646,0.25,"poor prediction"]
["33996-33-7","skin conditioner",0.8582,0.1875,"functional substitute"]
["608-66-2","skin conditioner",0.8397,0,"candidate alternative"]
["22204-53-1","skin conditioner",0.8204,0,"true positive"]
["1811-31-0","skin conditioner",0.8275,0,"candidate alternative"]
["6284-40-8","skin conditioner",0.8583,0.03125,"candidate alternative"]
["924-49-2","skin conditioner",0.8835,0.0833333333333,"true positive"]
["72-19-5","skin conditioner",0.8727,0,"candidate alternative"]
["312-84-5","skin conditioner",0.8483,0,"candidate alternative"]
["147-81-9","skin conditioner",0.9062,0,"candidate alternative"]
["7512-17-6","skin conditioner",0.8376,0,"candidate alternative"]
["2353-33-5","skin conditioner",0.8254,0,"candidate alternative"]
["1197-18-8","skin conditioner",0.8917,0,"true positive"]
["1188-37-0","skin conditioner",0.9596,0,"true positive"]
["609-36-9","skin conditioner",0.8431,0,"poor prediction"]
["59-51-8","skin conditioner",0.8521,0,"candidate alternative"]
["3374-22-9","skin conditioner",0.8338,0,"candidate alternative"]
["56-89-3","skin conditioner",0.8127,0,"candidate alternative"]
["640-68-6","skin conditioner",0.8052,0,"candidate alternative"]
["115-02-6","skin conditioner",0.817,0.0625,"candidate alternative"]
["34592-47-7","skin conditioner",0.9556,0,"true positive"]
["1783-96-6","skin conditioner",0.9433,0,"candidate alternative"]
["56-40-6","skin conditioner",0.8151,0,"candidate alternative"]
["621-42-1","skin conditioner",0.866,0,"candidate alternative"]
["614-80-2","skin conditioner",0.8889,0.0625,"candidate alternative"]
["103-90-2","skin conditioner",0.909,0,"true positive"]
["89-86-1","skin conditioner",0.867,0,"candidate alternative"]
["99-50-3","skin conditioner",0.8559,0,"candidate alternative"]
["338-69-2","skin conditioner",0.8198,0,"candidate alternative"]
["2490-97-3","skin conditioner",0.9694,0,"true positive"]
["1953-02-2","skin conditioner",0.8794,0,"candidate alternative"]
["52-89-1","skin conditioner",0.8573,0,"candidate alternative"]
["98-79-3","skin conditioner",0.9496,0,"candidate alternative"]
["652-37-9","skin conditioner",0.9685,0,"true positive"]
["74-79-3","skin conditioner",0.8828,0,"candidate alternative"]
["1464-42-2","skin conditioner",0.8587,0,"candidate alternative"]
["3493-12-7","skin conditioner",0.8751,0,"candidate alternative"]
["138-15-8","skin conditioner",0.8827,0,"candidate alternative"]
["616-91-1","skin conditioner",0.8859,0.03125,"candidate alternative"]
["56-86-0","skin conditioner",0.9604,0,"true positive"]
["1499-55-4","skin conditioner",0.804,0,"candidate alternative"]
["56-87-1","skin conditioner",0.8644,0,"candidate alternative"]
["38716-68-6","skin conditioner",0.8497,0,"poor prediction"]
["645-35-2","skin conditioner",0.9016,0,"candidate alternative"]
["407-41-0","skin conditioner",0.8577,0,"poor prediction"]
["52-67-5","skin conditioner",0.8264,0,"candidate alternative"]
["6893-26-1","skin conditioner",0.9604,0,"candidate alternative"]
["50-89-5","skin conditioner",0.9413,0,"true positive"]
["87-51-4","skin conditioner",0.884,0.09375,"true positive"]
["3056-17-5","skin conditioner",0.8855,0.0208333333333,"candidate alternative"]
["153-18-4","skin conditioner",0.9035,0.03125,"candidate alternative"]
["590-47-6","skin conditioner",0.8441,0,"candidate alternative"]
["107-43-7","skin conditioner",0.9198,0,"true positive"]
["99-96-7","skin conditioner",0.8661,0.03125,"candidate alternative"]
["139-13-9","skin conditioner",0.8481,0,"candidate alternative"]
["142-73-4","skin conditioner",0.9438,0,"candidate alternative"]
["97-59-6","skin conditioner",0.8113,0.0416666666667,"candidate alternative"]
["60-27-5","skin conditioner",0.9299,0,"true positive"]
["496-46-8","skin conditioner",0.8319,0,"candidate alternative"]
["71-30-7","skin conditioner",0.9479,0,"true positive"]
["66-22-8","skin conditioner",0.9459,0,"true positive"]
["6632-68-4","skin conditioner",0.9275,0.0625,"candidate alternative"]
["123-33-1","skin conditioner",0.8426,0.03125,"poor prediction"]
["24448-94-0","skin conditioner",0.8212,0,"candidate alternative"]
["56-06-4","skin conditioner",0.8122,0,"candidate alternative"]
["67-52-7","skin conditioner",0.8723,0,"candidate alternative"]
["51-21-8","skin conditioner",0.9115,0,"candidate alternative"]
["2022-85-7","skin conditioner",0.9008,0,"candidate alternative"]
["56177-80-1","skin conditioner",0.871,0,"poor prediction"]
["3923-79-3","skin conditioner",0.8139,0,"candidate alternative"]
["116-25-6","skin conditioner",0.8148,0.0625,"candidate alternative"]
["488-82-4","skin conditioner",0.8801,0,"candidate alternative"]
["87-99-0","skin conditioner",0.8801,0,"true positive"]
["59227-89-3","skin conditioner",0.8415,0.1875,"true positive"]
["79-81-2","skin conditioner",0.8267,0,"true positive"]
["302-95-4","skin conditioner",0.8279,0.0714285714286,"true positive"]
["99-06-9","skin conditioner",0.8857,0,"true positive"]
["520-27-4","skin conditioner",0.88,0.0625,"candidate alternative"]
["520-26-3","skin conditioner",0.8699,0,"candidate alternative"]
["590-46-5","skin conditioner",0.8721,0,"candidate alternative"]
["42553-65-1","skin conditioner",0.8331,0.0833333333333,"functional substitute"]
["15176-29-1","skin conditioner",0.8687,0,"candidate alternative"]
["58-63-9","skin conditioner",0.9251,0,"candidate alternative"]
["35943-35-2","skin conditioner",0.9141,0.125,"functional substitute"]
["31698-14-3","skin conditioner",0.8908,0,"candidate alternative"]
["574-25-4","skin conditioner",0.9101,0.1875,"functional substitute"]
["50-91-9","skin conditioner",0.9194,0.0625,"candidate alternative"]
["59-14-3","skin conditioner",0.8663,0.03125,"candidate alternative"]
["1405-86-3","skin conditioner",0.8906,0.075,"true positive"]
["25526-93-6","skin conditioner",0.8532,0,"candidate alternative"]
["70-00-8","skin conditioner",0.8515,0.125,"functional substitute"]
["54-42-2","skin conditioner",0.8392,0,"candidate alternative"]
["56038-13-2","skin conditioner",0.8933,0.0277777777778,"true positive"]
["139110-80-8","skin conditioner",0.8458,0,"poor prediction"]
["3094-09-5","skin conditioner",0.9196,0.125,"functional substitute"]
["37517-28-5","skin conditioner",0.8315,0.0625,"candidate alternative"]
["18883-66-4","skin conditioner",0.887,0,"candidate alternative"]
["57-48-7","skin conditioner",0.8398,0,"candidate alternative"]
["87-81-0","skin conditioner",0.8894,0,"candidate alternative"]
["38099-82-0","skin conditioner",0.8056,0.166666666667,"functional substitute"]
["31282-04-9","skin conditioner",0.8732,0.0416666666667,"candidate alternative"]
["37321-09-8","skin conditioner",0.8455,0,"candidate alternative"]
["56180-94-0","skin conditioner",0.8936,0.125,"functional substitute"]
["25389-94-0","skin conditioner",0.8889,0,"candidate alternative"]
["24346-00-7","skin conditioner",0.8636,0,"candidate alternative"]
["21736-83-4","skin conditioner",0.8063,0,"poor prediction"]
["531-75-9","skin conditioner",0.905,0.25,"functional substitute"]
["497-76-7","skin conditioner",0.8769,0,"candidate alternative"]
["32986-56-4","skin conditioner",0.8381,0,"candidate alternative"]
["1415-73-2","skin protectant",0.8806,0.166666666667,"candidate alternative"]
["1260-17-9","skin protectant",0.8525,0,"candidate alternative"]
["520-36-5","skin protectant",0.829,0.40625,"functional substitute"]
["485-72-3","skin protectant",0.8617,0.25,"true positive"]
["486-66-8","skin protectant",0.8477,0.25,"functional substitute"]
["43119-47-7","skin protectant",0.8466,0,"true positive"]
["479-13-0","skin protectant",0.8077,0.125,"poor prediction"]
["520-18-3","skin protectant",0.8224,0.28125,"functional substitute"]
["117-39-5","skin protectant",0.823,0.21875,"functional substitute"]
["490-46-0","skin protectant",0.82,0,"poor prediction"]
["446-72-0","skin protectant",0.8424,0.354166666667,"functional substitute"]
["15826-37-6","skin protectant",0.8186,0.0625,"candidate alternative"]
["7724-76-7","skin protectant",0.8151,0.25,"functional substitute"]
["2627-69-2","skin protectant",0.859,0,"poor prediction"]
["574-25-4","skin protectant",0.8622,0.1875,"candidate alternative"]
["139110-80-8","skin protectant",0.8855,0,"candidate alternative"]
["18883-66-4","skin protectant",0.8614,0,"candidate alternative"]
["37517-28-5","skin protectant",0.8105,0.0625,"poor prediction"]
["497-76-7","skin protectant",0.8894,0,"candidate alternative"]
["531-75-9","skin protectant",0.9283,0.25,"functional substitute"]
["25389-94-0","skin protectant",0.8135,0,"candidate alternative"]
["42553-65-1","skin protectant",0.8378,0.0833333333333,"candidate alternative"]
["630-60-4","skin protectant",0.8146,0.340909090909,"poor prediction"]
["520-26-3","skin protectant",0.9158,0,"candidate alternative"]
["520-27-4","skin protectant",0.9133,0.0625,"candidate alternative"]
["153-18-4","skin protectant",0.9282,0.03125,"candidate alternative"]
["29767-20-2","skin protectant",0.8142,0.416666666667,"poor prediction"]
["33419-42-0","skin protectant",0.8246,0.142857142857,"poor prediction"]
["58-61-7","skin protectant",0.841,0,"candidate alternative"]
["31698-14-3","skin protectant",0.8371,0,"candidate alternative"]
["35943-35-2","skin protectant",0.8634,0.125,"candidate alternative"]
["97-59-6","skin protectant",0.8171,0.0416666666667,"true positive"]
["50-89-5","skin protectant",0.814,0,"poor prediction"]
["83-88-5","skin protectant",0.8075,0.116666666667,"poor prediction"]
["58-63-9","skin protectant",0.9341,0,"true positive"]
["149-91-7","skin protectant",0.8086,0.03125,"candidate alternative"]
["327-97-9","skin protectant",0.9357,0,"true positive"]
["38716-68-6","skin protectant",0.8402,0,"poor prediction"]
["57-50-1","skin protectant",0.8446,0.0227272727273,"candidate alternative"]
["96-82-2","skin protectant",0.8045,0,"candidate alternative"]
["19408-46-9","skin protectant",0.8035,0,"candidate alternative"]
["501-36-0","skin protectant",0.8543,0.333333333333,"true positive"]
["131-48-6","skin protectant",0.8932,0,"true positive"]
["1811-31-0","skin protectant",0.8317,0,"candidate alternative"]
["36791-04-5","skin protectant",0.8666,0.09375,"poor prediction"]
["147-94-4","skin protectant",0.8768,0,"poor prediction"]
["2353-33-5","skin protectant",0.8168,0,"poor prediction"]
["3131-60-0","skin protectant",0.8725,0.125,"poor prediction"]
["320-67-2","skin protectant",0.8755,0.25,"poor prediction"]
["69-74-9","skin protectant",0.8889,0.0625,"poor prediction"]
["33996-33-7","skin protectant",0.8494,0.1875,"true positive"]
["842-07-9","soluble dye",0.8378,0.125,"functional substitute"]
["85-83-6","soluble dye",0.9124,0.125,"true positive"]
["81-49-2","soluble dye",0.8444,0.0625,"poor prediction"]
["130-20-1","soluble dye",0.896,0.0625,"poor prediction"]
["82-28-0","soluble dye",0.8711,0.1875,"poor prediction"]
["128-95-0","soluble dye",0.869,0.0625,"candidate alternative"]
["117-79-3","soluble dye",0.869,0.125,"functional substitute"]
["14233-37-5","soluble dye",0.9834,0,"true positive"]
["70476-82-3","soluble dye",0.8295,0.3125,"poor prediction"]
["3105-97-3","soluble dye",0.8757,0.5,"poor prediction"]
["6459-94-5","soluble dye",0.83,0.09375,"poor prediction"]
["2390-60-5","soluble dye",0.8189,0.75,"poor prediction"]
["4548-53-2","soluble dye",0.8359,0,"poor prediction"]
["314-13-6","soluble dye",0.8458,0.0833333333333,"poor prediction"]
["25956-17-6","soluble dye",0.8321,0.0625,"poor prediction"]
["5850-86-2","soluble dye",0.8327,0.0625,"poor prediction"]
["3861-73-2","soluble dye",0.8106,0.166666666667,"poor prediction"]
["1937-37-7","soluble dye",0.8156,0.0625,"poor prediction"]
["72-57-1","soluble dye",0.8458,0.166666666667,"poor prediction"]
["70458-96-7","soluble dye",0.8005,0,"poor prediction"]
["60-11-7","soluble dye",0.8183,0.1875,"poor prediction"]
["55-80-1","soluble dye",0.8284,0.1875,"poor prediction"]
["81-48-1","soluble dye",0.9224,0,"candidate alternative"]
["3564-09-8","soluble dye",0.8295,0,"poor prediction"]
["67786-14-5","soluble dye",0.8109,0,"poor prediction"]
["15791-78-3","soluble dye",0.8103,0.125,"poor prediction"]
["127-39-9","surfactant",0.8979,0,"true positive"]
["577-11-7","surfactant",0.8221,0.214285714286,"functional substitute"]
["142-31-4","surfactant",0.9632,0,"true positive"]
["1072-15-7","surfactant",0.9548,0.0625,"candidate alternative"]
["142-87-0","surfactant",0.9728,0,"true positive"]
["5324-84-5","surfactant",0.9354,0,"true positive"]
["126-92-1","surfactant",0.8834,0,"true positive"]
["139-88-8","surfactant",0.8318,0.05,"candidate alternative"]
["29836-26-8","surfactant",0.8691,0,"true positive"]
["1562-00-1","surfactant",0.8473,0.0625,"true positive"]
["141-22-0","surfactant",0.8346,0.0714285714286,"true positive"]
["123-94-4","surfactant",0.8348,0,"candidate alternative"]
["544-62-7","surfactant",0.8586,0.0625,"candidate alternative"]
["26266-57-9","surfactant",0.9352,0,"true positive"]
["2605-79-0","surfactant",0.9313,0,"true positive"]
["5538-94-3","surfactant",0.8315,0.375,"functional substitute"]
["1338-43-8","surfactant",0.9022,0,"true positive"]
["5137-55-3","surfactant",0.8557,0.75,"functional substitute"]
["7173-51-5","surfactant",0.9401,0.625,"true positive"]
["122-18-9","surfactant",0.8199,0.46875,"functional substitute"]
["122-19-0","surfactant",0.8793,0.6875,"true positive"]
["112-02-7","surfactant",0.9019,0.375,"functional substitute"]
["124-03-8","surfactant",0.934,0.6875,"functional substitute"]
["57-09-0","surfactant",0.9108,0.46875,"functional substitute"]
["2390-68-3","surfactant",0.9278,0.666666666667,"functional substitute"]
["112-03-8","surfactant",0.9142,0.6875,"functional substitute"]
["60-33-3","surfactant",0.9168,0.113636363636,"true positive"]
["10030-73-6","surfactant",0.8276,0.03125,"candidate alternative"]
["58846-77-8","surfactant",0.8759,0.0625,"candidate alternative"]
["27668-52-6","surfactant",0.8426,0.166666666667,"poor prediction"]
["143-07-7","surfactant",0.8125,0.0625,"true positive"]
["638-53-9","surfactant",0.8294,0.125,"candidate alternative"]
["57-10-3","surfactant",0.9337,0.0625,"candidate alternative"]
["544-63-8","surfactant",0.9237,0,"true positive"]
["463-40-1","surfactant",0.9142,0.0454545454545,"true positive"]
["1002-84-2","surfactant",0.9165,0.0625,"candidate alternative"]
["1852-04-6","surfactant",0.8595,0,"candidate alternative"]
["693-23-2","surfactant",0.8828,0,"candidate alternative"]
["25354-97-6","surfactant",0.8519,0.3125,"true positive"]
["111-20-6","surfactant",0.803,0,"candidate alternative"]
["112-80-1","surfactant",0.8344,0,"candidate alternative"]
["373-49-9","surfactant",0.8276,0.0625,"candidate alternative"]
["505-52-2","surfactant",0.9274,0.03125,"candidate alternative"]
["23386-52-9","surfactant",0.8448,0,"true positive"]
["14933-08-5","surfactant",0.9928,0.125,"true positive"]
["3282-73-3","surfactant",0.9288,0.6875,"functional substitute"]
["3055-99-0","surfactant",0.9685,0.3125,"functional substitute"]
["5116-94-9","surfactant",0.9591,0.25,"functional substitute"]
["18263-25-7","surfactant",0.9201,0.25,"functional substitute"]
["1120-04-3","surfactant",0.9918,0.1875,"true positive"]
["139-96-8","surfactant",0.9917,0,"true positive"]
["1191-50-0","surfactant",0.9903,0.0625,"true positive"]
["4536-30-5","surfactant",0.8534,0.1,"true positive"]
["1120-01-0","surfactant",0.9902,0,"true positive"]
["151-21-3","surfactant",0.9724,0.0625,"candidate alternative"]
["3026-63-9","surfactant",0.9897,0.1875,"true positive"]
["827-21-4","surfactant",0.8116,0,"candidate alternative"]
["827-19-0","surfactant",0.8282,0.125,"candidate alternative"]
["15046-75-0","surfactant",0.8544,0,"candidate alternative"]
["657-84-1","surfactant",0.8543,0,"true positive"]
["2235-54-3","surfactant",0.9737,0.125,"true positive"]
["2439-10-3","surfactant",0.8869,0.0625,"candidate alternative"]
["4568-28-9","surfactant",0.9903,0.1875,"true positive"]
["97-78-9","surfactant",0.9869,0.125,"true positive"]
["112-00-5","surfactant",0.8574,0.3125,"functional substitute"]
["1119-94-4","surfactant",0.8756,0.5,"functional substitute"]
["4574-04-3","surfactant",0.8905,0.375,"functional substitute"]
["1119-97-7","surfactant",0.8958,0.5,"functional substitute"]
["120-40-1","surfactant",0.8112,0.0833333333333,"candidate alternative"]
["544-31-0","surfactant",0.8096,0,"candidate alternative"]
["57-11-4","surfactant",0.9302,0.0833333333333,"candidate alternative"]
["3179-80-4","surfactant",0.8351,0.625,"functional substitute"]
["2687-96-9","surfactant",0.8798,0.25,"true positive"]
["3352-87-2","surfactant",0.8084,0,"candidate alternative"]
["106-14-9","surfactant",0.9668,0.0625,"true positive"]
["666-99-9","surfactant",0.9578,0.25,"functional substitute"]
["110-25-8","surfactant",0.9704,0.3125,"true positive"]
["137-16-6","surfactant",0.991,0,"true positive"]
["18924-66-8","surfactant",0.8109,0.5,"functional substitute"]
["926-39-6","surfactant",0.8079,0,"true positive"]
["1166-52-5","UV absorber",0.805,0.65625,"functional substitute"]
["37517-26-3","UV absorber",0.8274,0.0833333333333,"poor prediction"]
["139-62-8","UV absorber",0.8252,0,"poor prediction"]
["533-28-8","UV absorber",0.8387,0,"poor prediction"]
["129-77-1","UV absorber",0.8063,0,"poor prediction"]
["31431-39-7","UV absorber",0.8237,0.0625,"poor prediction"]
["66794-74-9","UV absorber",0.8077,0.0833333333333,"poor prediction"]
["84449-90-1","UV absorber",0.8709,0.5,"poor prediction"]
["20662-53-7","UV absorber",0.8273,0,"candidate alternative"]
["3810-80-8","UV absorber",0.8038,0.392857142857,"poor prediction"]
["60561-17-3","UV absorber",0.8169,0.0625,"poor prediction"]
["24678-13-5","UV absorber",0.8289,0,"poor prediction"]
["57648-21-2","UV absorber",0.8174,0.25,"poor prediction"]
["2062-84-2","UV absorber",0.8112,0.0625,"poor prediction"]
["749-02-0","UV absorber",0.8293,0.1875,"poor prediction"]
["1841-19-6","UV absorber",0.8142,0.3125,"poor prediction"]
["2062-78-4","UV absorber",0.811,0.34375,"poor prediction"]
["118-61-6","UV absorber",0.8752,0.0357142857143,"candidate alternative"]
["53786-28-0","UV absorber",0.8071,0,"candidate alternative"]
["119313-12-1","UV absorber",0.8044,0.125,"true positive"]
["131-53-3","UV absorber",0.9917,0,"true positive"]
["131-54-4","UV absorber",0.9917,0.1875,"true positive"]
["131-56-6","UV absorber",0.993,0.15625,"true positive"]
["13020-57-0","UV absorber",0.993,0.125,"candidate alternative"]
["1137-42-4","UV absorber",0.993,0.25,"functional substitute"]
["36177-92-1","UV absorber",0.8309,0,"candidate alternative"]
["1609-66-1","UV absorber",0.8632,0,"candidate alternative"]
["70356-09-1","UV absorber",0.8068,0.09375,"true positive"]
["536-43-6","UV absorber",0.8493,0.125,"poor prediction"]
["3896-11-5","UV absorber",0.9758,0,"true positive"]
["37693-01-9","UV absorber",0.8218,0.5,"functional substitute"]
["54143-55-4","UV absorber",0.8462,0.0625,"candidate alternative"]
["54143-56-5","UV absorber",0.8462,0.0625,"candidate alternative"]
["81-90-3","UV absorber",0.8099,0,"candidate alternative"]
["3575-80-2","UV absorber",0.8289,0,"poor prediction"]
["131-57-7","UV absorber",0.999,0.125,"true positive"]
["119-36-8","UV absorber",0.8852,0.0227272727273,"candidate alternative"]
["119-61-9","UV absorber",0.854,0.0416666666667,"true positive"]
["103-36-6","UV absorber",0.8575,0.0625,"true positive"]
["1754-62-7","UV absorber",0.8234,0,"candidate alternative"]
["5232-99-5","UV absorber",0.9648,0.125,"true positive"]
["5466-77-3","UV absorber",0.8807,0,"true positive"]
["6197-30-4","UV absorber",0.939,0.03125,"true positive"]
["104-28-9","UV absorber",0.9118,0,"true positive"]
["122-67-8","UV absorber",0.8002,0,"candidate alternative"]
["24140-30-5","UV absorber",0.8344,0.25,"functional substitute"]
["27262-48-2","UV absorber",0.8119,0,"candidate alternative"]
["36505-84-7","UV absorber",0.8466,0.03125,"poor prediction"]
["52829-07-9","UV absorber",0.9342,0,"true positive"]
["1843-05-6","UV absorber",0.9847,0.0208333333333,"true positive"]
["1034-01-1","UV absorber",0.8194,0.5,"functional substitute"]
["2664-60-0","UV absorber",0.805,0.125,"candidate alternative"]
["54350-48-0","UV absorber",0.8107,0.25,"functional substitute"]
["87-19-4","UV absorber",0.8562,0,"candidate alternative"]
["122-69-0","UV absorber",0.8234,0,"candidate alternative"]
["118-93-4","UV absorber",0.8023,0,"candidate alternative"]
["99-93-4","UV absorber",0.8023,0,"candidate alternative"]
["98-54-4","UV absorber",0.8314,0.0208333333333,"candidate alternative"]
["128-39-2","UV absorber",0.8718,0,"candidate alternative"]
["88-18-6","UV absorber",0.8314,0,"candidate alternative"]
["585-34-2","UV absorber",0.8314,0,"candidate alternative"]
["2219-82-1","UV absorber",0.8305,0.0625,"candidate alternative"]
["71617-10-2","UV absorber",0.8453,0.0833333333333,"candidate alternative"]
["2409-55-4","UV absorber",0.8305,0.0625,"candidate alternative"]
["121-00-6","UV absorber",0.8287,0,"candidate alternative"]
["497-39-2","UV absorber",0.8178,0.5625,"functional substitute"]
["489-01-0","UV absorber",0.871,0,"candidate alternative"]
["140-66-9","UV absorber",0.8314,0.34375,"functional substitute"]
["128-37-0","UV absorber",0.8305,0,"candidate alternative"]
["96-76-4","UV absorber",0.8718,0.21875,"functional substitute"]
["120-95-6","UV absorber",0.8062,0.28125,"functional substitute"]
["1470-57-1","UV absorber",0.9588,0,"candidate alternative"]
["607-90-9","UV absorber",0.8415,0,"candidate alternative"]
["835-11-0","UV absorber",0.982,0,"candidate alternative"]
["607-88-5","UV absorber",0.8189,0,"candidate alternative"]
["94-18-8","UV absorber",0.8518,0.21875,"functional substitute"]
["4707-47-5","UV absorber",0.8073,0,"candidate alternative"]
["118-55-8","UV absorber",0.915,0.0625,"true positive"]
["17696-62-7","UV absorber",0.915,0.15625,"functional substitute"]
["25804-49-3","UV absorber",0.902,0.1875,"functional substitute"]
["118-58-1","UV absorber",0.8518,0.03125,"true positive"]
["99-76-3","UV absorber",0.8852,0.0416666666667,"candidate alternative"]
["331-39-5","UV absorber",0.8252,0.0625,"candidate alternative"]
["118-57-0","UV absorber",0.8559,0,"true positive"]
["552-94-3","UV absorber",0.8429,0.0625,"candidate alternative"]
["132-54-7","UV absorber",0.8511,0.0625,"candidate alternative"]
["2440-22-4","UV absorber",0.8759,0.125,"true positive"]
["21590-92-1","UV absorber",0.8023,0,"poor prediction"]
["120-47-8","UV absorber",0.8752,0.0625,"candidate alternative"]
["40601-76-1","UV absorber",0.8182,0.125,"poor prediction"]
["121-79-9","UV absorber",0.8415,0.159090909091,"functional substitute"]
["3943-89-3","UV absorber",0.8752,0,"candidate alternative"]
["1641-17-4","UV absorber",0.9663,0.142857142857,"true positive"]
["118-60-5","UV absorber",0.8648,0.0625,"true positive"]
["5153-25-3","UV absorber",0.8648,0.3125,"functional substitute"]
["1219-38-1","UV absorber",0.8194,0.25,"functional substitute"]
["1083-27-8","UV absorber",0.8307,0.15625,"functional substitute"]
["1085-12-7","UV absorber",0.8307,0.28125,"functional substitute"]
["87-28-5","UV absorber",0.8484,0,"true positive"]
["118-56-9","UV absorber",0.9096,0.0416666666667,"true positive"]
["87-18-3","UV absorber",0.9521,0.125,"true positive"]
["4247-02-3","UV absorber",0.8562,0.25,"functional substitute"]
["94-13-3","UV absorber",0.8415,0.142857142857,"functional substitute"]
["94-26-8","UV absorber",0.8404,0.1875,"functional substitute"]
["17696-61-6","UV absorber",0.8233,0.15625,"functional substitute"]
["6521-29-5","UV absorber",0.8404,0.25,"functional substitute"]
["1620-98-0","UV absorber",0.8506,0,"candidate alternative"]
["70321-86-7","UV absorber",0.9799,0,"true positive"]
["23288-49-5","UV absorber",0.8747,0,"candidate alternative"]
["25973-55-1","UV absorber",0.9723,0,"true positive"]
["131860-33-8","UV absorber",0.8073,0.375,"poor prediction"]
["24815-24-5","UV absorber",0.8246,0,"poor prediction"]
["5809-23-4","UV absorber",0.8566,0.15625,"poor prediction"]
["54574-82-2","UV absorber",0.8532,0.1875,"poor prediction"]
["4065-45-6","UV absorber",0.9787,0.0208333333333,"true positive"]
["1143-72-2","UV absorber",0.993,0.1875,"functional substitute"]
["1948-33-0","UV absorber",0.8314,0.196428571429,"functional substitute"]
["611-99-4","UV absorber",0.982,0.1875,"functional substitute"]
["1470-79-7","UV absorber",0.982,0.28125,"functional substitute"]
["131-55-5","UV absorber",0.982,0.21875,"true positive"]
["31127-54-5","UV absorber",0.982,0.1875,"functional substitute"]
["85-19-8","UV absorber",0.9635,0.0625,"true positive"]
["42019-78-3","UV absorber",0.9487,0.3125,"functional substitute"]
["117-99-7","UV absorber",0.993,0,"candidate alternative"]
["52479-85-3","UV absorber",0.982,0.166666666667,"functional substitute"]
["88-58-4","UV absorber",0.8187,0.3125,"functional substitute"]
["98-29-3","UV absorber",0.8314,0.1875,"functional substitute"]
["17540-75-9","UV absorber",0.8426,0.0625,"candidate alternative"]
["3147-75-9","UV absorber",0.9745,0.0833333333333,"true positive"]
["85-60-9","UV absorber",0.8442,0.75,"functional substitute"]
["5613-46-7","UV absorber",0.8106,0.5625,"functional substitute"]
["2772-45-4","UV absorber",0.8585,0.65625,"functional substitute"]
["118-82-1","UV absorber",0.8488,0.03125,"candidate alternative"]
["732-26-3","UV absorber",0.8718,0.0625,"candidate alternative"]
["119-47-1","UV absorber",0.8488,0.75,"functional substitute"]
["88-24-4","UV absorber",0.8148,0.625,"functional substitute"]
["80-05-7","UV absorber",0.8046,0.375,"functional substitute"]
["27955-94-8","UV absorber",0.8046,0.3125,"functional substitute"]
["1491-59-4","UV absorber",0.8073,0,"candidate alternative"]
["88-27-7","UV absorber",0.817,0.0625,"candidate alternative"]
["599-64-4","UV absorber",0.8285,0.5,"functional substitute"]
["728-40-5","UV absorber",0.8334,0.3125,"functional substitute"]
["79-97-0","UV absorber",0.8106,0.3125,"functional substitute"]
["2768-02-7","vinyl",0.8126,0,"poor prediction"]
["78-08-0","vinyl",0.8169,0,"poor prediction"]
["765-12-8","vinyl",0.824,0,"true positive"]
["764-99-8","vinyl",0.9701,0,"true positive"]
["17832-28-9","vinyl",0.9334,0,"true positive"]
["109-53-5","vinyl",0.9695,0,"true positive"]
["2235-00-9","vinyl",0.9033,0,"true positive"]
["88-12-0","vinyl",0.9335,0,"true positive"]
["17351-75-6","vinyl",0.8305,0,"true positive"]
["114651-37-5","vinyl",0.8694,0,"true positive"]
["82985-35-1","wetting agent",0.9067,0,"poor prediction"]
["919-30-2","wetting agent",0.8917,0,"poor prediction"]
["2469-55-8","wetting agent",0.8917,0.0625,"poor prediction"]
["2943-75-1","wetting agent",0.9578,0,"candidate alternative"]
["1185-55-3","wetting agent",0.8847,0,"candidate alternative"]
["1112-39-6","wetting agent",0.8847,0,"candidate alternative"]
["75-77-4","wetting agent",0.9033,0,"poor prediction"]
["15332-99-7","wetting agent",0.8802,0,"candidate alternative"]
["78-08-0","wetting agent",0.9334,0,"candidate alternative"]
["2627-95-4","wetting agent",0.8802,0,"candidate alternative"]
["1067-53-4","wetting agent",0.9113,0,"poor prediction"]
["1760-24-3","wetting agent",0.8716,0,"poor prediction"]
["7351-61-3","wetting agent",0.8107,0,"poor prediction"]
["23779-32-0","wetting agent",0.8091,0,"poor prediction"]
["17945-05-0","wetting agent",0.8106,0,"poor prediction"]
["23432-62-4","wetting agent",0.8106,0,"poor prediction"]
["40372-72-3","wetting agent",0.9294,0,"poor prediction"]
["80-10-4","wetting agent",0.8177,0,"poor prediction"]
["144-79-6","wetting agent",0.8177,0,"poor prediction"]
["3068-76-6","wetting agent",0.8042,0,"poor prediction"]
["27668-52-6","wetting agent",0.9252,0.166666666667,"functional substitute"]
["68959-20-6","wetting agent",0.9402,0.25,"functional substitute"]
["2768-02-7","wetting agent",0.8802,0,"candidate alternative"]
["541-05-9","wetting agent",0.8847,0,"candidate alternative"]
["84962-98-1","wetting agent",0.9319,0,"poor prediction"]
["1873-88-7","wetting agent",0.8804,0,"candidate alternative"]
["2897-60-1","wetting agent",0.9534,0,"poor prediction"]
["919-31-3","wetting agent",0.9562,0,"candidate alternative"]
["2530-83-8","wetting agent",0.9534,0.03125,"poor prediction"]
["107-46-0","wetting agent",0.8804,0.0227272727273,"candidate alternative"]
["2530-87-2","wetting agent",0.9952,0,"candidate alternative"]
["5089-70-3","wetting agent",0.9952,0,"candidate alternative"]
["2996-92-1","wetting agent",0.8073,0,"poor prediction"]
["3027-21-2","wetting agent",0.8073,0,"poor prediction"]
["780-69-8","wetting agent",0.8644,0,"candidate alternative"]
["4420-74-0","wetting agent",0.9223,0,"poor prediction"]
["14814-09-6","wetting agent",0.9223,0,"poor prediction"]
["17689-77-9","wetting agent",0.8501,0,"candidate alternative"]
["78-07-9","wetting agent",0.9484,0,"true positive"]
["2031-67-6","wetting agent",0.9484,0,"candidate alternative"]
["107-51-7","wetting agent",0.8804,0,"candidate alternative"]
["2554-06-5","wetting agent",0.8802,0,"candidate alternative"]
["541-02-6","wetting agent",0.8847,0,"candidate alternative"]
["22984-54-9","wetting agent",0.9545,0,"candidate alternative"]
["556-67-2","wetting agent",0.8847,0,"candidate alternative"]
["2761-24-2","wetting agent",0.9663,0,"candidate alternative"]
["17980-47-1","wetting agent",0.8952,0.0625,"functional substitute"]
["1067-25-0","wetting agent",0.9563,0,"candidate alternative"]
["1000-05-1","wetting agent",0.8847,0,"candidate alternative"]
["4584-57-0","whitener",0.8836,0.125,"poor prediction"]
["3709-43-1","whitener",0.8414,0,"poor prediction"]
["16470-24-9","whitener",0.8735,0.125,"candidate alternative"]
["298-57-7","whitener",0.8178,0,"poor prediction"]
["52468-60-7","whitener",0.8027,0.1875,"poor prediction"]
["103-31-1","whitener",0.8122,0.125,"poor prediction"]
["81-11-8","whitener",0.8215,0,"poor prediction"]
["104-46-1","whitener",0.8219,0,"candidate alternative"]
["4180-23-8","whitener",0.8219,0,"candidate alternative"]
["103-30-0","whitener",0.8211,0.125,"candidate alternative"]
["645-49-8","whitener",0.8211,0,"candidate alternative"]
["495-85-2","whitener",0.8336,0.125,"poor prediction"]
["27344-41-8","whitener",0.8574,0.1875,"poor prediction"]
["120-58-1","whitener",0.895,0,"poor prediction"]
["2870-32-8","whitener",0.811,0,"poor prediction"]