Commit 9af41872 authored by Jessy Krier's avatar Jessy Krier
Browse files

renamed

parent 753d5498
File added
"","ID","Name","SMILES","RT"
"1",1,"3-Hydroxybenzaldehyde","C1=CC(=CC(=C1)O)C=O",NA
"2",2,"Desethylterbuthylazine","CC(C)(C)NC1=NC(=NC(=N1)N)Cl",NA
"3",3,"Terbuthylazine","CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C",NA
"4",4,"4-Amino-6-(tert-butylamino)-1,3,5-triazin-2-ol","CC(C)(C)NC1=NC(=O)NC(=N1)N",NA
"5",5,"Tritosulfuron","COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)C(F)(F)F",NA
"6",6,"1-(N-Carbamoylcarbamimidoyl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea","C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)NC(=O)NC(=N)NC(=O)N",NA
"7",7,"4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine","COC1=NC(=NC(=N1)N)C(F)(F)F",NA
"8",8,"2-(Trifluoromethyl)benzenesulfonamide","C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)N",NA
"9",9,"Terbutryn","CCNC1=NC(=NC(=N1)SC)NC(C)(C)C",NA
"10",10,"Deethylterbutryne","CC(C)(C)NC1=NC(=NC(=N1)N)SC",NA
"11",11,"Terbutylazine-2-hydroxy","CCNC1=NC(=O)NC(=N1)NC(C)(C)C",NA
"12",12,"2-(Tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione","CCNC1=NC(=S)N=C(N1)NC(C)(C)C",NA
"13",13,"2-[[4-(Ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-2-methylpropanoic acid","CCNC1=NC(=NC(=N1)SC)NC(C)(C)C(=O)O",NA
"14",14,"Hydroxyatrazine","CCNC1=NC(=O)NC(=N1)NC(C)C",NA
"15",15,"Ametryn","CCNC1=NC(=NC(=N1)SC)NC(C)C",NA
"16",16,"Atraton","CCNC1=NC(=NC(=N1)OC)NC(C)C",NA
"17",17,"Atrazine","CCNC1=NC(=NC(=N1)Cl)NC(C)C",NA
"18",18,"Atrazine-desethyl-2-hydroxy","CC(C)NC1=NC(=O)NC(=N1)N",NA
"19",19,"Dimethenamid-P","CC1=CSC(=C1N([C@@H](C)COC)C(=O)CCl)C",NA
"20",20,"Deisopropylatrazine","CCNC1=NC(=NC(=N1)N)Cl",NA
"21",21,"Sebuthylazine","CCC(C)NC1=NC(=NC(=N1)NCC)Cl",NA
"22",22,"Simazine","CCNC1=NC(=NC(=N1)Cl)NCC",NA
"23",23,"2,4-Dichlorophenoxyacetic acid","C1=CC(=C(C=C1Cl)Cl)OCC(=O)O",NA
"24",24,"2,4-Dichloroanisole","COC1=C(C=C(C=C1)Cl)Cl",NA
"25",25,"2,4-Dichlorophenol","C1=CC(=C(C=C1Cl)Cl)O",NA
"26",26,"2,5-Dichloro-4-hydroxyphenoxyacetic acid","C1=C(C(=CC(=C1Cl)OCC(=O)O)Cl)O",NA
"27",27,"2,4-Dichloro-5-hydroxyphenoxyacetic acid","C1=C(C(=CC(=C1OCC(=O)O)Cl)Cl)O",NA
"28",28,"Succinic acid","C(CC(=O)O)C(=O)O",NA
"29",29,"2,3,7,8-Tetrachlorodibenzo-P-dioxin","C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl",NA
"30",30,"2,6-Dichlorobenzamide","C1=CC(=C(C(=C1)Cl)C(=O)N)Cl",NA
"31",31,"2,6-Dichlorobenzonitrile","C1=CC(=C(C(=C1)Cl)C#N)Cl",NA
"32",32,"Fluopicolide","C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl",NA
"33",33,"2,6-Dichlorobenzoic acid","C1=CC(=C(C(=C1)Cl)C(=O)O)Cl",NA
"34",34,"2,6-Dichloro-3-hydroxybenzamide","C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl",NA
"35",35,"2,6-Dichloro-4-hydroxybenzamide","C1=C(C=C(C(=C1Cl)C(=O)N)Cl)O",NA
"36",36,"Alanine, N-(6-amino-1,4-dihydro-4-oxo-1,3,5-triazin-2-yl)-2-methyl-","CC(C)(C(=O)O)NC1=NC(=O)NC(=N1)N",NA
"37",37,"Alanine, N-(6-(ethylamino)-1,4-dihydro-4-oxo-1,3,5-triazin-2-YL)-2-methyl-","CCNC1=NC(=O)NC(=N1)NC(C)(C)C(=O)O",NA
"38",38,"Terbuthylazine-TP CSCD648241 (LM6)","CC(C)(C)NC1=NC(=O)N(C(=O)N1)C",NA
"39",39,"Terbuthylazine-TP CSCD692760 (LM3)","CC1(C(N2C(=NC(=O)NC2=O)N1)O)C",NA
"40",40,"Cyanazine acid","CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C(=O)O",NA
"41",41,"6-(Tert-butylamino)-1H-1,3,5-triazine-2,4-dione","CC(C)(C)NC1=NC(=O)NC(=O)N1",NA
"42",42,"Ammelide","C1(=NC(=O)NC(=O)N1)N",NA
"43",43,"2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol","CCNC1=NC(=NC(=N1)Cl)NC(C)(C)CO",NA
"44",44,"6-Chloro-1,3,5-triazine-2,4-diamine","C1(=NC(=NC(=N1)Cl)N)N",NA
"45",45,"4-Amino-6-chloro-1,3,5-triazin-2-ol","C1(=NC(=O)NC(=N1)Cl)N",NA
"46",46,"6-Chloro-1,3,5-triazine-2,4(1H,3H)-dione","C1(=O)NC(=NC(=O)N1)Cl",NA
"47",47,"Ammeline","C1(=NC(=NC(=O)N1)N)N",NA
"48",48,"Deethylatrazine","CC(C)NC1=NC(=NC(=N1)N)Cl",NA
"49",49,"2-Chloro-4-(ethylamino)-6-(1-methyl-2-hydroxyethylamino)-1,3,5-triazine","CCNC1=NC(=NC(=N1)Cl)NC(C)CO",NA
"50",50,"Propazine","CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C",NA
"51",51,"Bentazone","CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O",NA
"52",52,"6-Bromo-2,2-dioxo-3-propan-2-yl-1H-2lambda6,1,3-benzothiadiazin-4-one","CC(C)N1C(=O)C2=C(C=CC(=C2)Br)NS1(=O)=O",NA
"53",53,"6-Chloro-2,2-dioxo-3-propan-2-yl-1H-2lambda6,1,3-benzothiadiazin-4-one","CC(C)N1C(=O)C2=C(C=CC(=C2)Cl)NS1(=O)=O",NA
"54",54,"6-Hydroxybentazone","CC(C)N1C(=O)C2=C(C=CC(=C2)O)NS1(=O)=O",NA
"55",55,"8-Bromo-2,2-dioxo-3-propan-2-yl-1H-2lambda6,1,3-benzothiadiazin-4-one","CC(C)N1C(=O)C2=C(C(=CC=C2)Br)NS1(=O)=O",NA
"56",56,"8-Chloro-2,2-dioxo-3-propan-2-yl-1H-2lambda6,1,3-benzothiadiazin-4-one","CC(C)N1C(=O)C2=C(C(=CC=C2)Cl)NS1(=O)=O",NA
"57",57,"1H-2,1,3-Benzothiadiazin-4(3H)-one, 8-hydroxy-3-(1-methylethyl)-, 2,2-dioxide","CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O",NA
"58",58,"Bentazon methyl","CC(C)N1C(=O)C2=CC=CC=C2N(S1(=O)=O)C",NA
"59",59,"Benzoic acid","C1=CC=C(C=C1)C(=O)O",NA
"60",60,"Bromoxynil","C1=C(C=C(C(=C1Br)O)Br)C#N",NA
"61",61,"Hippuric acid","C1=CC=C(C=C1)C(=O)NCC(=O)O",NA
"62",62,"Benzoyl glucuronide","C1=CC=C(C=C1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O",NA
"63",63,"Benzoylagmatine","C1=CC=C(C=C1)C(=O)NCCCCN=C(N)N",NA
"64",64,"Benzaldehyde","C1=CC=C(C=C1)C=O",NA
"65",65,"Benzoyl-beta-D-glucoside","C1=CC=C(C=C1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O",NA
"66",66,"2-Amino-2-benzoyl-5-(diaminomethylideneamino)pentanoic acid","C1=CC=C(C=C1)C(=O)C(CCCN=C(N)N)(C(=O)O)N",NA
"67",67,"Unii-O722X9ycp4","C1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)N)C(=O)O",NA
"68",68,"N-Benzoylhistidine","C1=CC=C(C=C1)C(=O)NC(CC2=CN=CN2)C(=O)O",NA
"69",69,"3-Hydroxybenzoic acid","C1=CC(=CC(=C1)O)C(=O)O",NA
"70",70,"4-Hydroxybenzoic acid","C1=CC(=CC=C1C(=O)O)O",NA
"71",71,"N(2),N(5)-Dibenzoyl-L-ornithine","C1=CC=C(C=C1)C(=O)NCCC[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2",NA
"72",72,"Carbendazim","COC(=O)NC1=NC2=CC=CC=C2N1",NA
"73",73,"Benomyl","CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC",NA
"74",74,"Thiophanate-methyl","COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC",NA
"75",75,"2-Aminobenzimidazole","C1=CC=C2C(=C1)NC(=N2)N",NA
"76",76,"Methyl 5-hydroxy-2-benzimidazole carbamate","COC(=O)NC1=NC2=C(N1)C=C(C=C2)O",NA
"77",77,"O-Phenylenediamine","C1=CC=C(C(=C1)N)N",NA
"78",78,"2-Aminobenzonitrile","C1=CC=C(C(=C1)C#N)N",NA
"79",79,"(2-Amino-6-hydroxyphenyl)urea","C1=CC(=C(C(=C1)O)NC(=O)N)N",NA
"80",80,"1H-Benzoimidazol-4-ol","C1=CC2=C(C(=C1)O)N=CN2",NA
"81",81,"5-Hydroxybenzimidazole","C1=CC2=C(C=C1O)NC=N2",NA
"82",82,"2-Amino-N-butylbenzimidazole-1-carboxamide","CCCCNC(=O)N1C2=CC=CC=C2N=C1N",NA
"83",83,"Methyl (7-hydroxy-1H-benzimidazol-2-yl)carbamate","COC(=O)NC1=NC2=C(N1)C=CC=C2O",NA
"84",84,"2-Amino-1H-benzo[d]imidazol-5-ol","C1=CC2=C(C=C1O)NC(=N2)N",NA
"85",85,"Dicamba","COC1=C(C=CC(=C1C(=O)O)Cl)Cl",NA
"86",86,"2,5-Dichloro-3,6-dihydroxybenzoic acid","C1=C(C(=C(C(=C1Cl)O)C(=O)O)Cl)O",NA
"87",87,"5-Hydroxydicamba","COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl",NA
"88",88,"3,6-Dichloro-2-hydroxybenzoic acid","C1=CC(=C(C(=C1Cl)C(=O)O)O)Cl",NA
"89",89,"2,5-Dichloroanisole","COC1=C(C=CC(=C1)Cl)Cl",NA
"90",90,"2,5-Dichlorobenzoic acid","C1=CC(=C(C=C1Cl)C(=O)O)Cl",NA
"91",91,"2,5-Dichlorophenol","C1=CC(=C(C=C1Cl)O)Cl",NA
"92",92,"Diuron","CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl",NA
"93",93,"1-(3,4-Dichlorophenyl)-3-methylurea","CNC(=O)NC1=CC(=C(C=C1)Cl)Cl",NA
"94",94,"1-(3,4-Dichlorophenyl)urea","C1=CC(=C(C=C1NC(=O)N)Cl)Cl",NA
"95",95,"3,4-Dichloroaniline","C1=CC(=C(C=C1N)Cl)Cl",NA
"96",96,"2-Amino-4,5-dichlorophenol","C1=C(C(=CC(=C1Cl)Cl)O)N",NA
"97",97,"1-(6-Hydroxy-3,4-dichlorophenyl)urea","C1=C(C(=CC(=C1Cl)Cl)O)NC(=O)N",NA
"98",98,"1-(2-Hydroxy-3,4-dichlorophenyl)urea","C1=CC(=C(C(=C1NC(=O)N)O)Cl)Cl",NA
"99",99,"3,4-Dichlorophenol","C1=CC(=C(C=C1O)Cl)Cl",NA
"100",100,"3,4-Dichloronitrobenzene","C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl",NA
"101",101,"Pirimicarb","CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C",NA
"102",102,"5,6-Dimethyl-2-(methylamino)-4-pyrimidinyl dimethylcarbamate","CC1=C(N=C(N=C1OC(=O)N(C)C)NC)C",NA
"103",103,"Methylguanidine","CN=C(N)N",NA
"104",104,"1,1-Dimethylguanidine","CN(C)C(=N)N",NA
"105",105,"2-(Dimethylamino)-5,6-dimethyl-1H-pyrimidin-4-one","CC1=C(N=C(NC1=O)N(C)C)C",NA
"106",106,"4(1H)-Pyrimidinone, 5,6-dimethyl-2-(methylamino)-","CC1=C(N=C(NC1=O)NC)C",NA
"107",107,"Carbamic acid, dimethyl-, 2-(formylmethylamino)-5,6-dimethyl-4-pyrimidinyl ester","CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C=O)C",NA
"108",108,"Pirimicarb IV","CC1=C(N=C(N=C1OC(=O)N(C)C)N)C",NA
"109",109,"2-Amino-5,6-dimethyl-1H-pyrimidin-4-one","CC1=C(N=C(NC1=O)N)C",NA
"110",110,"Propamocarb","CCCOC(=O)NCCCN(C)C",NA
"111",111,"Epoxiconazole","C1=CC=C(C(=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl",NA
"112",112,"Fluconazole","C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O",NA
"113",113,"Isoproturon","CC(C)C1=CC=C(C=C1)NC(=O)N(C)C",NA
"114",114,"Isoproturon-monodemethyl","CC(C)C1=CC=C(C=C1)NC(=O)NC",NA
"115",115,"Isoproturon-didemethyl","CC(C)C1=CC=C(C=C1)NC(=O)N",NA
"116",116,"4-Isopropylaniline","CC(C)C1=CC=C(C=C1)N",NA
"117",117,"N'-[4-(1-Hydroxypropan-2-yl)phenyl]-N,N-dimethylurea","CC(CO)C1=CC=C(C=C1)NC(=O)N(C)C",NA
"118",118,"2-[4-(Dimethylcarbamoylamino)phenyl]propanoic acid","CC(C1=CC=C(C=C1)NC(=O)N(C)C)C(=O)O",NA
"119",119,"CID 12436937","CC(C1=CC=C(C=C1)NC(=O)N)C(=O)O",NA
"120",120,"3-[4-(2-Hydroxypropan-2-yl)phenyl]-1,1-dimethylurea","CC(C)(C1=CC=C(C=C1)NC(=O)N(C)C)O",NA
"121",121,"Urea, [4-(1-hydroxy-1-methylethyl)phenyl]-","CC(C)(C1=CC=C(C=C1)NC(=O)N)O",NA
"122",122,"Urea, N-[4-(1-hydroxy-1-methylethyl)phenyl]-N'-methyl-","CC(C)(C1=CC=C(C=C1)NC(=O)NC)O",NA
"123",123,"Metolachlor","CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C",NA
"124",124,"Metolachlor ethanesulfonic acid","CCC1=CC=CC(=C1N(C(C)COC)C(=O)CS(=O)(=O)O)C",NA
"125",125,"Metolachlor OA","CCC1=CC=CC(=C1N(C(C)COC)C(=O)C(=O)O)C",NA
"126",126,"4-(2-Ethyl-6-methylphenyl)-5-methylmorpholin-3-one","CCC1=CC=CC(=C1N2C(COCC2=O)C)C",NA
"127",127,"2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-hydroxy-1-methylethyl)acetamide","CCC1=CC=CC(=C1N(C(C)CO)C(=O)CCl)C",NA
"128",128,"2-Chloro-N-(2-ethyl-6-methylphenyl)acetamide","CCC1=CC=CC(=C1NC(=O)CCl)C",NA
"129",129,"Metolachlor deschloro","CCC1=CC=CC(=C1N(C(C)COC)C(=O)C)C",NA
"130",130,"Hydroxysimazine","CCNC1=NC(=NC(=O)N1)NCC",NA
"131",131,"Deisopropylhydroxyatrazine","CCNC1=NC(=O)NC(=N1)N",NA
"132",132,"Cyanuric acid","C1(=O)NC(=O)NC(=O)N1",NA
"133",133,"Alachlor","CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl",NA
"134",134,"S-Metolachlor","CCC1=CC=CC(=C1N([C@@H](C)COC)C(=O)CCl)C",NA
"135",135,"Pethoxamid","CCOCCN(C(=O)CCl)C(=C(C)C)C1=CC=CC=C1",NA
"136",136,"2-[2-Ethoxyethyl-(2-methyl-1-phenylprop-1-enyl)amino]-2-oxoethanesulfonic acid","CCOCCN(C(=O)CS(=O)(=O)O)C(=C(C)C)C1=CC=CC=C1",NA
"137",137,"Tetrahydrophthalimide","C1C=CCC2C1C(=O)NC2=O",NA
"138",138,"Captan","C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl",NA
"139",139,"Mecoprop","CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O",NA
"140",140,"Mecoprop-P","CC1=C(C=CC(=C1)Cl)O[C@H](C)C(=O)O",NA
"141",141,"4-Chloro-2-methylphenol","CC1=C(C=CC(=C1)Cl)O",NA
"142",142,"(4-Chloro-2-methylphenoxy)acetic acid","CC1=C(C=CC(=C1)Cl)OCC(=O)O",NA
"143",143,"4-(4-Chloro-2-methylphenoxy)butanoic acid","CC1=C(C=CC(=C1)Cl)OCCCC(=O)O",NA
"144",144,"Cloxyfonac","C1=CC(=C(C=C1Cl)CO)OCC(=O)O",NA
"145",145,"5-Chloro-2-methylphenol","CC1=C(C=C(C=C1)Cl)O",NA
"146",146,"2-(4-Chloro-2-hydroxy-6-methylphenoxy)acetic acid","CC1=CC(=CC(=C1OCC(=O)O)O)Cl",NA
"147",147,"2-(4-Chloro-5-hydroxy-2-methylphenoxy)acetic acid","CC1=CC(=C(C=C1OCC(=O)O)O)Cl",NA
"148",148,"Tebuconazole","CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O",NA
"149",149,"1,2,4-Triazole","C1=NC=NN1",NA
"150",150,"1,2,4-Triazole-1-acetic acid","C1=NN(C=N1)CC(=O)O",NA
"151",151,"1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentane-2,3-diol","CC(C)(C)C(CN1C=NC=N1)(C(CC2=CC=C(C=C2)Cl)O)O",NA
"152",152,"(Z)-1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pent-1-ene-1,3-diol","CC(C)(C)C(CN1C=NC=N1)(/C=C(/C2=CC=C(C=C2)Cl)\O)O",NA
"153",153,"4'-Chloro-beta-tert-butyl-beta-hydroxy-gamma-(1H-1,2,4-triazole-1-yl)butyrophenone","CC(C)(C)C(CC(=O)C1=CC=C(C=C1)Cl)(CN2C=NC=N2)O",NA
"154",154,"4-(4-Chlorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol","C1=CC(=CC=C1CCC(CN2C=NC=N2)O)Cl",NA
"155",155,"4-(4-Chlorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-one","C1=CC(=CC=C1CCC(=O)CN2C=NC=N2)Cl",NA
"156",156,"5-Tert-Butyl-5-(1H-1,2,4-triazole-1-ylmethyl)-3,4-dihydrofuran-2(5H)-one","CC(C)(C)C1(CCC(=O)O1)CN2C=NC=N2",NA
"157",157,"4-Hydroxy-4-(1H-1,2,4-triazole-1-ylmethyl)-5,5-dimethyl-hexanoic acid","CC(C)(C)C(CCC(=O)O)(CN1C=NC=N1)O",NA
"158",158,"3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one","CC(C)(C)C(=O)CN1C=NC=N1",NA
"159",159,"1,2-Dihydro-3H-1,2,4-triazol-3-one","C1=NNC(=O)N1",NA
"160",160,"2-Amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid","C1=NN(C=N1)CC(C(=O)O)N",NA
"161",161,"Spiroxamine","CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C",NA
"162",162,"CID 81935654","CCCN(CC)CC(CO)O",NA
"163",163,"2-Methyl-2-(4-oxocyclohexyl)propanoic acid","CC(C)(C1CCC(=O)CC1)C(=O)O",NA
"164",164,"Piroxaminsaure","CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C(=O)O",NA
"165",165,"N-[(8-Tert-butyl-1,4-dioxaspiro[4.5]decan-2-yl)methyl]propan-1-amine","CCCNCC1COC2(O1)CCC(CC2)C(C)(C)C",NA
"166",166,"2-Methyl-2-[3-(propylaminomethyl)-1,4-dioxaspiro[4.5]decan-8-yl]propanoic acid","CCCNCC1COC2(O1)CCC(CC2)C(C)(C)C(=O)O",NA
"167",167,"N-[(8-Tert-butyl-1,4-dioxaspiro[4.5]decan-2-yl)methyl]ethanamine","CCNCC1COC2(O1)CCC(CC2)C(C)(C)C",NA
"168",168,"2-[3-(Ethylaminomethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylpropanoic acid","CCNCC1COC2(O1)CCC(CC2)C(C)(C)C(=O)O",NA
"169",169,"2-[3-[[Ethyl(propyl)amino]methyl]-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylpropan-1-ol","CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)CO",NA
"170",170,"4-Tert-Butylcyclohexanone","CC(C)(C)C1CCC(=O)CC1",NA
"171",171,"N-[(8-Tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine oxide","CCC[N+](CC)(CC1COC2(O1)CCC(CC2)C(C)(C)C)[O-]",NA
"172",172,"Metazachlor ESA","CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CS(=O)(=O)O",NA
"173",173,"Metazachlor","CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl",NA
"174",174,"Metazachlor OXA","CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)C(=O)O",NA
"175",175,"N-[1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide","C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl",NA
"176",176,"1-[(6-Chloropyridin-3-YL)methyl]imidazolidin-2-one","C1CN(C(=O)N1)CC2=CN=C(C=C2)Cl",NA
"177",177,"(2z)-1-[(6-Chloropyridin-3-Yl)methyl]imidazolidin-2-Imine","C1CN(C(=N1)N)CC2=CN=C(C=C2)Cl",NA
"178",178,"Diethofencarb","CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC",NA
"179",179,"Carbamic acid, (4,5-diethoxy-2-nitrophenyl)-, 1-methylethyl ester","CCOC1=C(C=C(C(=C1)NC(=O)OC(C)C)[N+](=O)[O-])OCC",NA
"180",180,"2-[(3,4-Diethoxyphenyl)carbamoyloxy]propanoic acid","CCOC1=C(C=C(C=C1)NC(=O)OC(C)C(=O)O)OCC",NA
"181",181,"3-(3,4-Diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione","CCOC1=C(C=C(C=C1)N2C(=O)C(OC2=O)C)OCC",NA
blablablabla
dnjd
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