{"CAS":"38-26-6","Substance Name":"","SMILES":"COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7=CC(O)C89C(=O)OC(C)(C%10CCC(C)(C)O%10)C8(O)CCC9(C)C7CCC6C5(C)C)OCC(OS(=O)(=O)O)C4O)C(O)C3O)C2O)C1O"}
{"CAS":"50-00-0","Substance Name":"Formaldehyde","Registry Name":"Formaldehyde","SMILES":"C=O"}
{"CAS":"50-03-3","Substance Name":"","SMILES":"CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C"}
{"CAS":"50-07-7","Substance Name":"","SMILES":"COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12"}
{"CAS":"50-09-9","Substance Name":"","SMILES":"CN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O"}
{"CAS":"50-11-3","Substance Name":"","SMILES":"CCC1(CC)C(=O)NC(=O)N(C)C1=O"}
{"CAS":"50-12-4","Substance Name":"","SMILES":"CCC1(c2ccccc2)NC(=O)N(C)C1=O"}
{"CAS":"50-13-5","Substance Name":"","SMILES":"CCOC(=O)C1(c2ccccc2)CCN(C)CC1"}
{"CAS":"50-14-6","Substance Name":"","SMILES":"C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)C=CC(C)C(C)C"}
{"CAS":"50-19-1","Substance Name":"","SMILES":"CCC(O)(COC(N)=O)c1ccccc1"}
{"CAS":"50-23-7","Substance Name":"","SMILES":"CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO"}
{"CAS":"50-24-8","Substance Name":"","SMILES":"CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO"}
{"CAS":"50-27-1","Substance Name":"","SMILES":"CC12CCC3c4ccc(O)cc4CCC3C1CC(O)C2O"}
{"CAS":"50-29-3","Substance Name":"Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-chloro-","Registry Name":"p,p'-DDT","SMILES":"Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1"}
{"CAS":"50-30-6","Substance Name":"","SMILES":"O=C(O)c1c(Cl)cccc1Cl"}
{"CAS":"50-31-7","Substance Name":"","SMILES":"O=C(O)c1c(Cl)ccc(Cl)c1Cl"}
{"CAS":"50-32-8","Substance Name":"Benzo[a]pyrene","Registry Name":"Benzo[a]pyrene","SMILES":"c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34"}
{"CAS":"50-33-9","Substance Name":"","SMILES":"CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O"}
{"CAS":"50-34-0","Substance Name":"","SMILES":"CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C"}
{"CAS":"50-35-1","Substance Name":"","SMILES":"O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1"}
{"CAS":"50-37-3","Substance Name":"","SMILES":"CCN(CC)C(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1"}
{"CAS":"50-38-4","Substance Name":"","SMILES":"O=C(O)c1c(Cl)c(Cl)cc(Cl)c1Cl"}
{"CAS":"50-39-5","Substance Name":"","SMILES":"CC(O)Cn1c(=O)c2c(ncn2C)n(C)c1=O"}
{"CAS":"50-42-0","Substance Name":"","SMILES":"CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1"}
{"CAS":"50-43-1","Substance Name":"","SMILES":"O=C(O)c1c(Cl)cc(Cl)cc1Cl"}
{"CAS":"50-44-2","Substance Name":"","SMILES":"S=c1nc[nH]c2nc[nH]c12"}
{"CAS":"50-45-3","Substance Name":"","SMILES":"O=C(O)c1cccc(Cl)c1Cl"}
{"CAS":"50-46-4","Substance Name":"","SMILES":"O=C1C=CC(=O)c2cnccc21"}
{"CAS":"50-49-7","Substance Name":"","SMILES":"CN(C)CCCN1c2ccccc2CCc2ccccc21"}
{"CAS":"50-53-3","Substance Name":"","SMILES":"CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21"}
{"CAS":"50-55-5","Substance Name":"","SMILES":"COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC"}
{"CAS":"50-56-6","Substance Name":"","SMILES":"CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O"}
{"CAS":"50-59-9","Substance Name":"","SMILES":"O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12"}
{"CAS":"50-60-2","Substance Name":"","SMILES":"Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1"}
{"CAS":"50-63-5","Substance Name":"","SMILES":"CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12"}
{"CAS":"50-65-7","Substance Name":"","SMILES":"O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O"}
{"CAS":"50-66-8","Substance Name":"","SMILES":"CSc1ncnc2nc[nH]c12"}
{"CAS":"50-67-9","Substance Name":"","SMILES":"NCCc1c[nH]c2ccc(O)cc12"}
{"CAS":"50-70-4","Substance Name":"","SMILES":"OCC(O)C(O)C(O)C(O)CO"}
{"CAS":"50-71-5","Substance Name":"","SMILES":"O=C1NC(=O)C(=O)C(=O)N1"}
{"CAS":"50-73-7","Substance Name":"","SMILES":"O=C(O)c1cc(Cl)cc(Cl)c1Cl"}
{"CAS":"50-74-8","Substance Name":"","SMILES":"O=C(O)c1cc(Cl)c(Cl)c(Cl)c1Cl"}
{"CAS":"50-75-9","Substance Name":"","SMILES":"O=C(O)c1ccc(Cl)c(Cl)c1Cl"}
{"CAS":"50-76-0","Substance Name":"","SMILES":"Cc1ccc(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c2c1OC1C(C)C(=O)C(N)C(C(=O)NC3C(=O)NC(C(C)C)C(=O)N4CCCC4C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC3C)C1N2"}
{"CAS":"50-78-2","Substance Name":"","SMILES":"CC(=O)Oc1ccccc1C(=O)O"}
{"CAS":"50-79-3","Substance Name":"","SMILES":"O=C(O)c1cc(Cl)ccc1Cl"}
{"CAS":"50-81-7","Substance Name":"","SMILES":"O=C1OC(C(O)CO)C(O)=C1O"}
{"CAS":"50-82-8","Substance Name":"","SMILES":"O=C(O)c1cc(Cl)c(Cl)cc1Cl"}
{"CAS":"50-84-0","Substance Name":"","SMILES":"O=C(O)c1ccc(Cl)cc1Cl"}
{"CAS":"50-85-1","Substance Name":"","SMILES":"Cc1ccc(C(=O)O)c(O)c1"}
{"CAS":"50-86-2","Substance Name":"","SMILES":"CC(=O)Nc1ccc(C(=O)O)c(O)c1"}
{"CAS":"50-89-5","Substance Name":"","SMILES":"Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O"}
{"CAS":"50-90-8","Substance Name":"","SMILES":"O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1Cl"}
{"CAS":"50-91-9","Substance Name":"","SMILES":"O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1F"}
{"CAS":"50-96-4","Substance Name":"","SMILES":"CCC(NC(C)C)C(O)c1ccc(O)c(O)c1"}
{"CAS":"50-97-5","Substance Name":"","SMILES":"OC(c1ccccc1)c1nc2ccccc2[nH]1"}
{"CAS":"50-99-7","Substance Name":"","SMILES":"O=CC(O)C(O)C(O)C(O)CO"}
{"CAS":"51-03-6","Substance Name":"","SMILES":"CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2"}
{"CAS":"51-05-8","Substance Name":"","SMILES":"CCN(CC)CCOC(=O)c1ccc(N)cc1"}
{"CAS":"51-06-9","Substance Name":"","SMILES":"CCN(CC)CCNC(=O)c1ccc(N)cc1"}
{"CAS":"51-12-7","Substance Name":"","SMILES":"O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1"}
{"CAS":"51-14-9","Substance Name":"","SMILES":"CCOCCOCCOC(C)Oc1ccc2c(c1)OCO2"}
{"CAS":"51-17-2","Substance Name":"","SMILES":"c1ccc2[nH]cnc2c1"}
{"CAS":"51-18-3","Substance Name":"","SMILES":"C1CN1c1nc(N2CC2)nc(N2CC2)n1"}
{"CAS":"51-20-7","Substance Name":"","SMILES":"O=c1[nH]cc(Br)c(=O)[nH]1"}
{"CAS":"51-21-8","Substance Name":"","SMILES":"O=c1[nH]cc(F)c(=O)[nH]1"}
{"CAS":"51-28-5","Substance Name":"Phenol, 2,4-dinitro-","Registry Name":"2,4-Dinitrophenol","SMILES":"O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1"}
{"CAS":"51-29-6","Substance Name":"","SMILES":"CC(C)NCC(O)c1ccc(Cl)c(Cl)c1"}
{"CAS":"51-30-9","Substance Name":"","SMILES":"CC(C)NCC(O)c1ccc(O)c(O)c1"}
{"CAS":"51-36-5","Substance Name":"","SMILES":"O=C(O)c1cc(Cl)cc(Cl)c1"}
{"CAS":"51-39-8","Substance Name":"","SMILES":"O=C(O)c1cc(Cl)c(Cl)c(Cl)c1"}
{"CAS":"51-44-5","Substance Name":"","SMILES":"O=C(O)c1ccc(Cl)c(Cl)c1"}
{"CAS":"51-45-6","Substance Name":"","SMILES":"NCCc1cnc[nH]1"}
{"CAS":"51-46-7","Substance Name":"","SMILES":"C1CN2CN3CCN(CN1C3)C2"}
{"CAS":"51-52-5","Substance Name":"","SMILES":"CCCc1cc(=O)[nH]c(=S)[nH]1"}
{"CAS":"51-55-8","Substance Name":"","SMILES":"CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2"}
{"CAS":"51-58-1","Substance Name":"","SMILES":"N=C(N)NC(=O)Nc1ccc([N+](=O)[O-])cc1"}
{"CAS":"51-61-6","Substance Name":"","SMILES":"NCCc1ccc(O)c(O)c1"}
{"CAS":"51-65-0","Substance Name":"","SMILES":"NC(Cc1ccc(F)cc1)C(=O)O"}
{"CAS":"51-66-1","Substance Name":"","SMILES":"COc1ccc(NC(C)=O)cc1"}
{"CAS":"51-71-8","Substance Name":"","SMILES":"NNCCc1ccccc1"}
{"CAS":"51-73-0","Substance Name":"","SMILES":"C(#CCN1CCCC1)CN1CCCC1"}
{"CAS":"51-75-2","Substance Name":"Ethanamine, 2-chloro-N-(2-chloroethyl)-N-methyl-","Registry Name":"Nitrogen mustard (HN-2)","SMILES":"CN(CCCl)CCCl"}
{"CAS":"51-77-4","Substance Name":"","SMILES":"CC(C)=CCCC(C)=CCCC(C)=CCCC(=O)OCC=C(C)CCC=C(C)C"}
{"CAS":"51-79-6","Substance Name":"","SMILES":"CCOC(N)=O"}
{"CAS":"51-80-9","Substance Name":"","SMILES":"CN(C)CN(C)C"}
{"CAS":"51-82-1","Substance Name":"","SMILES":"CN(C)CSC(=S)N(C)C"}
{"CAS":"51-83-2","Substance Name":"","SMILES":"C[N+](C)(C)CCOC(N)=O"}
{"CAS":"51-93-4","Substance Name":"","SMILES":"CC[N+](C)(C)C"}
{"CAS":"51-94-5","Substance Name":"","SMILES":"CCCCCCCCCCCC(=O)OC12C=CC(=O)C3Oc4c(OC)ccc5c4C31CCN(C)C2C5"}
{"CAS":"52-01-7","Substance Name":"","SMILES":"CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12"}
{"CAS":"52-21-1","Substance Name":"","SMILES":"CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C"}
{"CAS":"52-24-4","Substance Name":"","SMILES":"S=P(N1CC1)(N1CC1)N1CC1"}
{"CAS":"52-30-2","Substance Name":"","SMILES":"CCC1CC[Si](C)(C)CC12C(=O)NC(=O)NC2=O"}
{"CAS":"52-31-3","Substance Name":"","SMILES":"CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O"}
{"CAS":"52-41-5","Substance Name":"","SMILES":"C[Si]1(C)CCCC2(C1)C(=O)NC(=O)NC2=O"}
{"CAS":"52-42-6","Substance Name":"","SMILES":"C[Si]1(C)CCCC2(C1)C(=O)NC(=S)NC2=O"}
{"CAS":"52-43-7","Substance Name":"","SMILES":"C=CCC1(CC=C)C(=O)NC(=O)NC1=O"}
{"CAS":"52-44-8","Substance Name":"","SMILES":"O=C1NC(=O)C2(CCCCC2)C(=O)N1"}
{"CAS":"52-45-9","Substance Name":"","SMILES":"O=C1NC(=S)NC(=O)C12CCCCC2"}
{"CAS":"52-46-0","Substance Name":"","SMILES":"C1CN1P1(N2CC2)=NP(N2CC2)(N2CC2)=NP(N2CC2)(N2CC2)=N1"}
{"CAS":"52-49-3","Substance Name":"","SMILES":"OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1"}
{"CAS":"52-51-7","Substance Name":"","SMILES":"O=[N+]([O-])C(Br)(CO)CO"}
{"CAS":"52-52-8","Substance Name":"","SMILES":"NC1(C(=O)O)CCCC1"}
{"CAS":"52-55-1","Substance Name":"","SMILES":"CC1CC[Si](C)(C)CC12C(=O)NC(=O)NC2=O"}
{"CAS":"52-56-2","Substance Name":"","SMILES":"C[Si]1(C)CCCCC2(C1)C(=O)NC(=O)NC2=O"}
{"CAS":"52-57-3","Substance Name":"","SMILES":"C[Si]1(C)CCCCC2(C1)C(=O)NC(=S)NC2=O"}
{"CAS":"52-60-8","Substance Name":"","SMILES":"CCOP(=S)(OCC)Oc1cc(C)c(SC)c(C)c1"}
{"CAS":"52-61-9","Substance Name":"","SMILES":"CC(=O)OC1CC[N+](C)(Cc2ccccc2)C1"}
{"CAS":"52-66-4","Substance Name":"","SMILES":"CC(C)(S)C(N)C(=O)O"}
{"CAS":"52-68-6","Substance Name":"","SMILES":"COP(=O)(OC)C(O)C(Cl)(Cl)Cl"}
{"CAS":"52-72-2","Substance Name":"","SMILES":"CC12CCC3C(CCC4CC(O)C(N5CCOCC5)CC43C)C1CCC2=O"}
{"CAS":"52-85-7","Substance Name":"","SMILES":"COP(=S)(OC)Oc1ccc(S(=O)(=O)N(C)C)cc1"}
{"CAS":"52-86-8","Substance Name":"","SMILES":"O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"}
{"CAS":"52-89-1","Substance Name":"","SMILES":"NC(CS)C(=O)O"}
{"CAS":"52-91-5","Substance Name":"","SMILES":"CC(=O)C1C(C)CC2C3CCC4CC(O)C(N5CCOCC5)CC4(C)C3C(=O)CC21C"}
{"CAS":"52-92-6","Substance Name":"","SMILES":"CC(=O)C1CCC2C3CCC4CC(O)C(N5CCOCC5)CC4(C)C3C(=O)CC12C"}
{"CAS":"53-03-2","Substance Name":"","SMILES":"CC12C=CC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO"}
{"CAS":"53-07-6","Substance Name":"","SMILES":"CC(=O)C1C(C)CC2C3CCC4CC(O)C(N5CCOCC5)CC4(C)C3CCC21C"}
{"CAS":"53-10-1","Substance Name":"","SMILES":"CC12CCC(=O)CC1CCC1C2CCC2(C)C(C(=O)COC(=O)CCC(=O)O)CCC12"}
{"CAS":"53-19-0","Substance Name":"","SMILES":"Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1"}
{"CAS":"53-21-4","Substance Name":"","SMILES":"COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C"}
{"CAS":"53-27-0","Substance Name":"","SMILES":"CC(CN1CCC(O)(c2ccccc2)CC1)N(C(=O)c1ccco1)c1ccccc1"}
{"CAS":"53-31-6","Substance Name":"","SMILES":"c1ccc(C(c2ccccc2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1"}
{"CAS":"53-36-1","Substance Name":"","SMILES":"CC(=O)OCC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3C(O)CC21C"}
{"CAS":"53-39-4","Substance Name":"","SMILES":"CC12COC(=O)CC1CCC1C2CCC2(C)C1CCC2(C)O"}
{"CAS":"53-40-7","Substance Name":"","SMILES":"CC(=O)C1CCC2C3CCC4CC(O)C(N5CCOCC5)CC4(C)C3CCC12C"}
{"CAS":"53-43-0","Substance Name":"","SMILES":"CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O"}
{"CAS":"53-46-3","Substance Name":"","SMILES":"CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21"}
{"CAS":"53-56-5","Substance Name":"","SMILES":"CN(C)CC(c1ccccc1)N(Cc1ccccc1)c1ccccc1"}
{"CAS":"53-59-8","Substance Name":"","SMILES":"NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1"}
{"CAS":"53-84-9","Substance Name":"","SMILES":"NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1"}
{"CAS":"53-86-1","Substance Name":"","SMILES":"COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1"}
{"CAS":"53-89-4","Substance Name":"","SMILES":"CN1CCC(n2[nH]c(-c3ccccc3)c(Cc3ccccc3)c2=O)CC1"}
{"CAS":"53-95-2","Substance Name":"","SMILES":"CC(=O)N(O)c1ccc2c(c1)Cc1ccccc1-2"}
{"CAS":"53-96-3","Substance Name":"","SMILES":"CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2"}
{"CAS":"54-03-5","Substance Name":"","SMILES":"COc1cc(C(=O)OCCCN(C)CCN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC"}
{"CAS":"54-06-8","Substance Name":"","SMILES":"CN1CC(O)C2=CC(=O)C(=O)C=C21"}
{"CAS":"54-12-6","Substance Name":"","SMILES":"NC(Cc1c[nH]c2ccccc12)C(=O)O"}
{"CAS":"54-16-0","Substance Name":"","SMILES":"O=C(O)Cc1c[nH]c2ccc(O)cc12"}
{"CAS":"54-20-6","Substance Name":"","SMILES":"O=c1[nH]cc(C(F)(F)F)c(=O)[nH]1"}
{"CAS":"54-25-1","Substance Name":"","SMILES":"O=c1cnn(C2OC(CO)C(O)C2O)c(=O)[nH]1"}
{"CAS":"54-30-8","Substance Name":"","SMILES":"CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1"}
{"CAS":"54-31-9","Substance Name":"","SMILES":"NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl"}
{"CAS":"54-36-4","Substance Name":"","SMILES":"CC(C)(C(=O)c1cccnc1)c1cccnc1"}
{"CAS":"54-42-2","Substance Name":"","SMILES":"O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I"}
{"CAS":"54-47-7","Substance Name":"","SMILES":"Cc1ncc(COP(=O)(O)O)c(C=O)c1O"}
{"CAS":"54-58-0","Substance Name":"","SMILES":"O=C(O)c1ccccc1Nc1ccccc1F"}
{"CAS":"54-59-1","Substance Name":"","SMILES":"O=C(O)c1ccccc1Nc1cccc(F)c1"}
{"CAS":"54-60-4","Substance Name":"","SMILES":"O=C(O)c1ccccc1Nc1ccc(F)cc1"}
{"CAS":"54-64-8","Substance Name":"","SMILES":"CC[Hg]Sc1ccccc1C(=O)O"}
{"CAS":"54-65-9","Substance Name":"","SMILES":"CN(C)C(CN(Cc1ccccc1)c1ccccc1)c1ccccc1"}
{"CAS":"54-71-7","Substance Name":"","SMILES":"CCC1C(=O)OCC1Cc1cncn1C"}
{"CAS":"54-77-3","Substance Name":"","SMILES":"C[N+]1(C)CCN(c2ccccc2)CC1"}
{"CAS":"54-80-8","Substance Name":"","SMILES":"CC(C)NCC(O)c1ccc2ccccc2c1"}
{"CAS":"54-84-2","Substance Name":"","SMILES":"CN(C)CCCSc1ccccc1NC(=O)C=Cc1ccccc1"}
{"CAS":"54-85-3","Substance Name":"","SMILES":"NNC(=O)c1ccncc1"}
{"CAS":"54-86-4","Substance Name":"","SMILES":"O=C(O)c1cccnc1"}
{"CAS":"54-87-5","Substance Name":"","SMILES":"O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1"}
{"CAS":"54-88-6","Substance Name":"","SMILES":"Cc1cc(N(C)C)ccc1N=Nc1ccccc1"}
{"CAS":"54-91-1","Substance Name":"","SMILES":"O=C(CCBr)N1CCN(C(=O)CCBr)CC1"}
{"CAS":"54-95-5","Substance Name":"","SMILES":"C1CCc2nnnn2CC1"}
{"CAS":"54-96-6","Substance Name":"","SMILES":"Nc1ccncc1N"}
{"CAS":"55-03-8","Substance Name":"","SMILES":"NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O"}
{"CAS":"55-18-5","Substance Name":"","SMILES":"CCN(CC)N=O"}
{"CAS":"55-21-0","Substance Name":"","SMILES":"NC(=O)c1ccccc1"}
{"CAS":"55-22-1","Substance Name":"","SMILES":"O=C(O)c1ccncc1"}
{"CAS":"55-34-5","Substance Name":"","SMILES":"CCC(=O)c1ccc(NO)cc1"}
{"CAS":"55-37-8","Substance Name":"","SMILES":"COP(=S)(OC)Oc1cc(C)c(SC)c(C)c1"}
{"CAS":"55-38-9","Substance Name":"","SMILES":"COP(=S)(OC)Oc1ccc(SC)c(C)c1"}
{"CAS":"55-43-6","Substance Name":"","SMILES":"ClCCN(Cc1ccccc1)Cc1ccccc1"}
{"CAS":"55-45-8","Substance Name":"","SMILES":"C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1"}
{"CAS":"55-52-7","Substance Name":"","SMILES":"CC(Cc1ccccc1)NN"}
{"CAS":"55-56-1","Substance Name":"","SMILES":"N=C(N=C(N)Nc1ccc(Cl)cc1)NCCCCCCNC(=N)N=C(N)Nc1ccc(Cl)cc1"}
{"CAS":"55-57-2","Substance Name":"","SMILES":"N=C(N=C(N)N)Nc1ccccc1"}
{"CAS":"55-63-0","Substance Name":"","SMILES":"O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]"}
{"CAS":"55-65-2","Substance Name":"","SMILES":"N=C(N)NCCN1CCCCCCC1"}
{"CAS":"55-70-9","Substance Name":"","SMILES":"CC(CNc1ccccc1)N(C)C"}
{"CAS":"55-71-0","Substance Name":"","SMILES":"CCC(CNc1ccccc1)N(C)C"}
{"CAS":"55-73-2","Substance Name":"","SMILES":"CNC(=NCc1ccccc1)NC"}
{"CAS":"55-80-1","Substance Name":"","SMILES":"Cc1cccc(N=Nc2ccc(N(C)C)cc2)c1"}
{"CAS":"55-81-2","Substance Name":"","SMILES":"COc1ccc(CCN)cc1"}
{"CAS":"55-91-4","Substance Name":"","SMILES":"CC(C)OP(=O)(F)OC(C)C"}
{"CAS":"55-93-6","Substance Name":"","SMILES":"CC(CCC(C)OS(C)(=O)=O)OS(C)(=O)=O"}
{"CAS":"55-98-1","Substance Name":"","SMILES":"CS(=O)(=O)OCCCCOS(C)(=O)=O"}
{"CAS":"56-04-2","Substance Name":"","SMILES":"Cc1cc(=O)[nH]c(=S)[nH]1"}
{"CAS":"56-09-7","Substance Name":"","SMILES":"Nc1nc(=O)cc(O)[nH]1"}
{"CAS":"56-10-0","Substance Name":"","SMILES":"N=C(N)SCCN"}
{"CAS":"56-12-2","Substance Name":"","SMILES":"NCCCC(=O)O"}
{"CAS":"56-17-7","Substance Name":"","SMILES":"NCCSSCCN"}
{"CAS":"56-18-8","Substance Name":"","SMILES":"NCCCNCCCN"}
{"CAS":"56-23-5","Substance Name":"Methane, tetrachloro-","Registry Name":"Carbon tetrachloride","SMILES":"ClC(Cl)(Cl)Cl"}
{"CAS":"56-25-7","Substance Name":"","SMILES":"CC12C(=O)OC(=O)C1(C)C1CCC2O1"}
{"CAS":"56-35-9","Substance Name":"","SMILES":"CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC"}
{"CAS":"56-36-0","Substance Name":"","SMILES":"CCCC[Sn](CCCC)(CCCC)OC(C)=O"}
{"CAS":"56-37-1","Substance Name":"","SMILES":"CC[N+](CC)(CC)Cc1ccccc1"}
{"CAS":"56-38-2","Substance Name":"","SMILES":"CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1"}
{"CAS":"56-40-6","Substance Name":"","SMILES":"NCC(=O)O"}
{"CAS":"56-53-1","Substance Name":"","SMILES":"CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1"}
{"CAS":"56-54-2","Substance Name":"","SMILES":"C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12"}
{"CAS":"56-55-3","Substance Name":"Benz[a]anthracene","Registry Name":"Benz[a]anthracene","SMILES":"c1ccc2cc3c(ccc4ccccc43)cc2c1"}
{"CAS":"56-57-5","Substance Name":"","SMILES":"O=[N+]([O-])c1cc[n+]([O-])c2ccccc12"}
{"CAS":"56-69-9","Substance Name":"","SMILES":"NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O"}
{"CAS":"56-72-4","Substance Name":"","SMILES":"CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1"}
{"CAS":"56-75-7","Substance Name":"","SMILES":"O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl"}
{"CAS":"56-81-5","Substance Name":"","SMILES":"OCC(O)CO"}
{"CAS":"56-82-6","Substance Name":"","SMILES":"O=CC(O)CO"}
{"CAS":"56-85-9","Substance Name":"","SMILES":"NC(=O)CCC(N)C(=O)O"}
{"CAS":"56-89-3","Substance Name":"","SMILES":"NC(CSSCC(N)C(=O)O)C(=O)O"}
{"CAS":"56-94-0","Substance Name":"","SMILES":"CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1"}
{"CAS":"56-97-3","Substance Name":"","SMILES":"ON=Cc1cc[n+](CCC[n+]2ccc(C=NO)cc2)cc1"}
{"CAS":"57-06-7","Substance Name":"","SMILES":"C=CCN=C=S"}
{"CAS":"57-09-0","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCC[N+](C)(C)C"}
{"CAS":"57-10-3","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCC(=O)O"}
{"CAS":"57-13-6","Substance Name":"","SMILES":"NC(N)=O"}
{"CAS":"57-14-7","Substance Name":"Hydrazine, 1,1-dimethyl-","Registry Name":"1,1-Dimethylhydrazine","SMILES":"CN(C)N"}
{"CAS":"57-29-4","Substance Name":"","SMILES":"C=CCN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5"}
{"CAS":"57-30-7","Substance Name":"","SMILES":"CCC1(c2ccccc2)C(=O)NC(=O)NC1=O"}
{"CAS":"57-36-3","Substance Name":"","SMILES":"CCN(CC)CC(C)OC(=O)C(O)(c1ccccc1)c1ccccc1"}
{"CAS":"57-37-4","Substance Name":"","SMILES":"CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1"}
{"CAS":"57-39-6","Substance Name":"","SMILES":"CC1CN1P(=O)(N1CC1C)N1CC1C"}
{"CAS":"57-41-0","Substance Name":"","SMILES":"O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1"}
{"CAS":"57-47-6","Substance Name":"","SMILES":"CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C)C1N2C"}
{"CAS":"57-49-8","Substance Name":"","SMILES":"CCOC(=O)N(c1ccccc1)C(C)CN1CCC(O)(c2ccccc2)CC1"}
{"CAS":"57-50-1","Substance Name":"","SMILES":"OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O"}
{"CAS":"57-52-3","Substance Name":"","SMILES":"CC[Sn](CC)(CC)OS(=O)(=O)O[Sn](CC)(CC)CC"}
{"CAS":"57-53-4","Substance Name":"","SMILES":"CCCC(C)(COC(N)=O)COC(N)=O"}
{"CAS":"57-54-5","Substance Name":"","SMILES":"C[N+]1(CCCl)CC1"}
{"CAS":"57-55-6","Substance Name":"1,2-Propanediol","Registry Name":"Propylene glycol","SMILES":"CC(O)CO"}
{"CAS":"57-57-8","Substance Name":"","SMILES":"O=C1CCO1"}
{"CAS":"57-62-5","Substance Name":"","SMILES":"CN(C)C1C(=O)C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12"}
{"CAS":"57-63-6","Substance Name":"","SMILES":"C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C"}
{"CAS":"57-68-1","Substance Name":"","SMILES":"Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1"}
{"CAS":"57-71-6","Substance Name":"","SMILES":"C=C(O)/C(C)=N\\O"}
{"CAS":"57-83-0","Substance Name":"","SMILES":"CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C"}
{"CAS":"57-85-2","Substance Name":"","SMILES":"CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C"}
{"CAS":"57-92-1","Substance Name":"","SMILES":"CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O"}
{"CAS":"57-94-3","Substance Name":"","SMILES":"COc1cc2c3cc1Oc1cc(ccc1O)CC1c4c(cc(OC)c(O)c4Oc4ccc(cc4)CC3N(C)CC2)CC[N+]1(C)C"}
{"CAS":"57-96-5","Substance Name":"","SMILES":"O=C1C(CCS(=O)c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1"}
{"CAS":"57-97-6","Substance Name":"","SMILES":"Cc1c2ccccc2c(C)c2c1ccc1ccccc12"}
{"CAS":"58-00-4","Substance Name":"","SMILES":"CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3"}
{"CAS":"58-08-2","Substance Name":"","SMILES":"Cn1c(=O)c2c(ncn2C)n(C)c1=O"}
{"CAS":"58-13-9","Substance Name":"","SMILES":"CCN(CC)CCSC(=O)N(c1ccccc1)c1ccccc1"}
{"CAS":"58-14-0","Substance Name":"","SMILES":"CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1"}
{"CAS":"58-15-1","Substance Name":"","SMILES":"Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C"}
{"CAS":"58-18-4","Substance Name":"","SMILES":"CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(C)O"}
{"CAS":"58-20-8","Substance Name":"","SMILES":"CC12CCC(=O)C=C1CCC1C2CCC2(C)C(OC(=O)CCC3CCCC3)CCC12"}
{"CAS":"58-22-0","Substance Name":"","SMILES":"CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12"}
{"CAS":"58-27-5","Substance Name":"","SMILES":"CC1=CC(=O)c2ccccc2C1=O"}
{"CAS":"58-28-6","Substance Name":"","SMILES":"CNCCCN1c2ccccc2CCc2ccccc21"}
{"CAS":"58-32-2","Substance Name":"","SMILES":"OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1"}
{"CAS":"58-36-6","Substance Name":"","SMILES":"c1ccc2c(c1)Oc1ccccc1[As]2O[As]1c2ccccc2Oc2ccccc21"}
{"CAS":"58-38-8","Substance Name":"","SMILES":"CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1"}
{"CAS":"58-40-2","Substance Name":"","SMILES":"CN(C)CCCN1c2ccccc2Sc2ccccc21"}
{"CAS":"58-46-8","Substance Name":"","SMILES":"COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2"}
{"CAS":"58-54-8","Substance Name":"","SMILES":"C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl"}
{"CAS":"58-56-0","Substance Name":"","SMILES":"Cc1ncc(CO)c(CO)c1O"}
{"CAS":"58-58-2","Substance Name":"","SMILES":"COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1"}
{"CAS":"58-63-9","Substance Name":"","SMILES":"O=c1nc[nH]c2c1ncn2C1OC(CO)C(O)C1O"}
{"CAS":"58-64-0","Substance Name":"","SMILES":"Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O"}
{"CAS":"58-71-9","Substance Name":"","SMILES":"CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1"}
{"CAS":"58-74-2","Substance Name":"","SMILES":"COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC"}
{"CAS":"58-86-6","Substance Name":"","SMILES":"O=CC(O)C(O)C(O)CO"}
{"CAS":"58-90-2","Substance Name":"Phenol, 2,3,4,6-tetrachloro-","Registry Name":"2,3,4,6-Tetrachlorophenol","SMILES":"Oc1c(Cl)cc(Cl)c(Cl)c1Cl"}
{"CAS":"58-93-5","Substance Name":"","SMILES":"NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O"}
{"CAS":"58-94-6","Substance Name":"","SMILES":"NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O"}
{"CAS":"58-95-7","Substance Name":"","SMILES":"CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2"}
{"CAS":"58-96-8","Substance Name":"","SMILES":"O=c1ccn(C2OC(CO)C(O)C2O)c(=O)[nH]1"}
{"CAS":"59-01-8","Substance Name":"","SMILES":"NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O"}
{"CAS":"59-05-2","Substance Name":"","SMILES":"CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1"}
{"CAS":"59-14-3","Substance Name":"","SMILES":"O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1Br"}
{"CAS":"59-26-7","Substance Name":"","SMILES":"CCN(CC)C(=O)c1cccnc1"}
{"CAS":"59-30-3","Substance Name":"","SMILES":"Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2[nH]1"}
{"CAS":"59-31-4","Substance Name":"","SMILES":"O=c1ccc2ccccc2[nH]1"}
{"CAS":"59-32-5","Substance Name":"","SMILES":"CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1"}
{"CAS":"59-40-5","Substance Name":"","SMILES":"Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1"}
{"CAS":"59-47-2","Substance Name":"","SMILES":"Cc1ccccc1OCC(O)CO"}
{"CAS":"59-48-3","Substance Name":"","SMILES":"O=C1Cc2ccccc2N1"}
{"CAS":"59-49-4","Substance Name":"","SMILES":"O=c1[nH]c2ccccc2o1"}
{"CAS":"59-50-7","Substance Name":"Phenol, 4-chloro-3-methyl-","Registry Name":"p-Chloro-m-cresol","SMILES":"Cc1cc(O)ccc1Cl"}
{"CAS":"59-52-9","Substance Name":"","SMILES":"OCC(S)CS"}
{"CAS":"59-53-0","Substance Name":"","SMILES":"CC(=O)NC(C(=O)O)C(C)(C)S"}
{"CAS":"59-58-5","Substance Name":"","SMILES":"CCCSSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N"}
{"CAS":"59-63-2","Substance Name":"","SMILES":"Cc1cc(C(=O)NNCc2ccccc2)no1"}
{"CAS":"59-85-8","Substance Name":"","SMILES":"O=C(O)c1ccc([Hg+])cc1"}
{"CAS":"59-87-0","Substance Name":"","SMILES":"NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1"}
{"CAS":"59-89-2","Substance Name":"","SMILES":"O=NN1CCOCC1"}
{"CAS":"59-96-1","Substance Name":"","SMILES":"CC(COc1ccccc1)N(CCCl)Cc1ccccc1"}
{"CAS":"59-97-2","Substance Name":"","SMILES":"c1ccc(CC2=NCCN2)cc1"}
{"CAS":"60-01-5","Substance Name":"","SMILES":"CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC"}
{"CAS":"60-09-3","Substance Name":"","SMILES":"Nc1ccc(N=Nc2ccccc2)cc1"}
{"CAS":"60-10-6","Substance Name":"","SMILES":"S=C(N=Nc1ccccc1)NNc1ccccc1"}
{"CAS":"60-11-7","Substance Name":"","SMILES":"CN(C)c1ccc(N=Nc2ccccc2)cc1"}
{"CAS":"60-12-8","Substance Name":"","SMILES":"OCCc1ccccc1"}
{"CAS":"60-18-4","Substance Name":"","SMILES":"NC(Cc1ccc(O)cc1)C(=O)O"}
{"CAS":"60-19-5","Substance Name":"","SMILES":"NCCc1ccc(O)cc1"}
{"CAS":"60-23-1","Substance Name":"","SMILES":"NCCS"}
{"CAS":"60-24-2","Substance Name":"","SMILES":"OCCS"}
{"CAS":"60-25-3","Substance Name":"","SMILES":"C[N+](C)(C)CCCCCC[N+](C)(C)C"}
{"CAS":"60-29-7","Substance Name":"Ethane, 1,1'-oxybis-","Registry Name":"Ethyl ether","SMILES":"CCOCC"}
{"CAS":"60-31-1","Substance Name":"","SMILES":"CC(=O)OCC[N+](C)(C)C"}
{"CAS":"60-32-2","Substance Name":"","SMILES":"NCCCCCC(=O)O"}
{"CAS":"60-33-3","Substance Name":"","SMILES":"CCCCCC=CCC=CCCCCCCCC(=O)O"}
{"CAS":"60-34-4","Substance Name":"","SMILES":"CNN"}
{"CAS":"60-35-5","Substance Name":"","SMILES":"CC(N)=O"}
{"CAS":"60-38-8","Substance Name":"","SMILES":"CC(=O)OC1CCC2(C=O)C3CCC4(C)C(C5=CC(=O)OC5)CCC4(O)C3CCC2(O)C1"}
{"CAS":"60-44-6","Substance Name":"","SMILES":"CC[N+](C)(CC)CCOC(=O)C(O)(c1cccs1)C1CCCC1"}
{"CAS":"60-45-7","Substance Name":"","SMILES":"CCC1C(=O)NC(=O)C1(C)c1ccccc1"}
{"CAS":"60-51-5","Substance Name":"Phosphorodithioic acid, O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] ester","Registry Name":"Dimethoate","SMILES":"CNC(=O)CSP(=S)(OC)OC"}
{"CAS":"60-54-8","Substance Name":"","SMILES":"CN(C)C1C(=O)C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12"}
{"CAS":"60-56-0","Substance Name":"","SMILES":"Cn1cc[nH]c1=S"}
{"CAS":"60-57-1","Substance Name":"","SMILES":"ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl"}
{"CAS":"60-70-8","Substance Name":"","SMILES":"Cc1c(C(C)C2NCC(C)CC2O)ccc2c1CC1C2CC=C2CC(O)CCC21C"}
{"CAS":"60-79-7","Substance Name":"","SMILES":"CC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1"}
{"CAS":"60-80-0","Substance Name":"","SMILES":"Cc1cc(=O)n(-c2ccccc2)n1C"}
{"CAS":"60-87-7","Substance Name":"","SMILES":"CC(CN1c2ccccc2Sc2ccccc21)N(C)C"}
{"CAS":"60-89-9","Substance Name":"","SMILES":"CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1"}
{"CAS":"60-99-1","Substance Name":"","SMILES":"COc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2"}
{"CAS":"61-00-7","Substance Name":"","SMILES":"CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2"}
{"CAS":"61-01-8","Substance Name":"","SMILES":"COc1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2"}
{"CAS":"61-12-1","Substance Name":"","SMILES":"CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1"}
{"CAS":"61-15-4","Substance Name":"","SMILES":"COc1ccc(OC)c(C(O)C(C)NC(C)C)c1"}
{"CAS":"61-16-5","Substance Name":"","SMILES":"COc1ccc(OC)c(C(O)C(C)N)c1"}
{"CAS":"61-24-5","Substance Name":"","SMILES":"CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O)O)C2SC1"}
{"CAS":"61-29-0","Substance Name":"","SMILES":"CCCCN1CC2Cc3cc(OC)c(OC)cc3C2C1"}
{"CAS":"61-50-7","Substance Name":"","SMILES":"CN(C)CCc1c[nH]c2ccccc12"}
{"CAS":"61-56-3","Substance Name":"","SMILES":"NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1"}
{"CAS":"61-57-4","Substance Name":"","SMILES":"O=C1NCCN1c1ncc([N+](=O)[O-])s1"}
{"CAS":"61-68-7","Substance Name":"","SMILES":"Cc1cccc(Nc2ccccc2C(=O)O)c1C"}
{"CAS":"61-69-8","Substance Name":"","SMILES":"Nc1nc2nc(-c3ccccc3)nc(N)c2nc1C(=O)NCCN1CCOCC1"}
{"CAS":"61-70-1","Substance Name":"","SMILES":"CN1C(=O)Cc2ccccc21"}
{"CAS":"61-73-4","Substance Name":"","SMILES":"CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1"}
{"CAS":"61-80-3","Substance Name":"","SMILES":"Nc1nc2cc(Cl)ccc2o1"}
{"CAS":"61-82-5","Substance Name":"","SMILES":"Nc1nnc[nH]1"}
{"CAS":"61-90-5","Substance Name":"","SMILES":"CC(C)CC(N)C(=O)O"}
{"CAS":"62-13-5","Substance Name":"","SMILES":"CNCC(=O)c1ccc(O)c(O)c1"}
{"CAS":"62-23-7","Substance Name":"","SMILES":"O=C(O)c1ccc([N+](=O)[O-])cc1"}
{"CAS":"62-32-8","Substance Name":"","SMILES":"CNCCc1ccc(O)c(O)c1"}
{"CAS":"62-37-3","Substance Name":"","SMILES":"COC(C[Hg+])CNC(N)=O"}
{"CAS":"62-38-4","Substance Name":"Mercury, (acetato-.kappa.O)phenyl-","Registry Name":"Phenylmercury acetate","SMILES":"CC(=O)O[Hg]c1ccccc1"}
{"CAS":"62-44-2","Substance Name":"","SMILES":"CCOc1ccc(NC(C)=O)cc1"}
{"CAS":"62-50-0","Substance Name":"","SMILES":"CCOS(C)(=O)=O"}
{"CAS":"62-51-1","Substance Name":"","SMILES":"CC(=O)OC(C)C[N+](C)(C)C"}
{"CAS":"62-55-5","Substance Name":"","SMILES":"CC(N)=S"}
{"CAS":"62-56-6","Substance Name":"","SMILES":"NC(N)=S"}
{"CAS":"62-57-7","Substance Name":"","SMILES":"CC(C)(N)C(=O)O"}
{"CAS":"62-58-8","Substance Name":"","SMILES":"CCCCCCC(=O)OC12C=CC(=O)C3Oc4c(OC)ccc5c4C31CCN(C)C2C5"}
{"CAS":"62-59-9","Substance Name":"","SMILES":"CC=C(C)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(C)O)C5(O)CC42OC13O"}
{"CAS":"62-68-0","Substance Name":"","SMILES":"CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1"}
{"CAS":"62-73-7","Substance Name":"Phosphoric acid, 2,2-dichloroethenyl dimethyl ester","Registry Name":"Dichlorvos","SMILES":"COP(=O)(OC)OC=C(Cl)Cl"}
{"CAS":"62-74-8","Substance Name":"","SMILES":"O=C(O)CF"}
{"CAS":"62-75-9","Substance Name":"Methanamine, N-methyl-N-nitroso-","Registry Name":"N-Nitrosodimethylamine","SMILES":"CN(C)N=O"}
{"CAS":"62-90-8","Substance Name":"","SMILES":"CC12CCC3C4CCC(=O)C=C4CCC3C1CCC2OC(=O)CCc1ccccc1"}
{"CAS":"63-25-2","Substance Name":"1-Naphthalenol, 1-(N-methylcarbamate)","Registry Name":"Carbaryl","SMILES":"CNC(=O)Oc1cccc2ccccc12"}
{"CAS":"63-42-3","Substance Name":"","SMILES":"O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO"}
{"CAS":"63-45-6","Substance Name":"","SMILES":"COc1cc(NC(C)CCCN)c2ncccc2c1"}
{"CAS":"63-56-9","Substance Name":"","SMILES":"COc1ccc(CN(CCN(C)C)c2ncccn2)cc1"}
{"CAS":"63-68-3","Substance Name":"","SMILES":"CSCCC(N)C(=O)O"}
{"CAS":"63-74-1","Substance Name":"","SMILES":"Nc1ccc(S(N)(=O)=O)cc1"}
{"CAS":"63-91-2","Substance Name":"","SMILES":"NC(Cc1ccccc1)C(=O)O"}
{"CAS":"63-98-9","Substance Name":"","SMILES":"NC(=O)NC(=O)Cc1ccccc1"}
{"CAS":"63-99-0","Substance Name":"","SMILES":"Cc1cccc(NC(N)=O)c1"}
{"CAS":"64-00-6","Substance Name":"","SMILES":"CNC(=O)Oc1cccc(C(C)C)c1"}
{"CAS":"64-04-0","Substance Name":"","SMILES":"NCCc1ccccc1"}
{"CAS":"64-10-8","Substance Name":"","SMILES":"NC(=O)Nc1ccccc1"}
{"CAS":"64-11-9","Substance Name":"","SMILES":"Cc1ccc(CC(C)N)cc1"}
{"CAS":"64-17-5","Substance Name":"Ethanol","Registry Name":"Ethanol","SMILES":"CCO"}
{"CAS":"64-39-1","Substance Name":"","SMILES":"CCC(=O)OC1(c2ccccc2)CC(C)N(C)CC1C"}
{"CAS":"64-43-7","Substance Name":"","SMILES":"CCC1(CCC(C)C)C(=O)NC(=O)NC1=O"}
{"CAS":"64-50-6","Substance Name":"","SMILES":"CCC(=O)OC1(c2ccccc2)CCN(CCc2ccccc2)CC1"}
{"CAS":"64-52-8","Substance Name":"","SMILES":"CC(=O)OC1(c2ccccc2)CCN(CCc2ccccc2)CC1"}
{"CAS":"64-55-1","Substance Name":"","SMILES":"CCC(C)C(C)(COC(N)=O)COC(N)=O"}
{"CAS":"64-56-2","Substance Name":"","SMILES":"CC1CCCC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1"}
{"CAS":"64-57-3","Substance Name":"","SMILES":"O=C(CCCN1CCC2(CCCCCC2)CC1)c1ccc(F)cc1"}
{"CAS":"64-58-4","Substance Name":"","SMILES":"CC(C)(C)C1CCC2(CC1)CCN(CCCC(=O)c1ccc(F)cc1)CC2"}
{"CAS":"64-59-5","Substance Name":"","SMILES":"CC1CCC2(CC1)CCN(CCCC(=O)c1ccc(F)cc1)CC2"}
{"CAS":"64-60-8","Substance Name":"","SMILES":"O=C(CCCN1CCC2(CCCCC2)CC1)c1ccc(F)cc1"}
{"CAS":"64-61-9","Substance Name":"","SMILES":"CC1CCC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1"}
{"CAS":"64-63-1","Substance Name":"","SMILES":"O=C(CCCN1CCC2(CCCC2)C1)c1ccc(F)cc1"}
{"CAS":"64-64-2","Substance Name":"","SMILES":"O=C(CCCN1CCC2(CCCC2)CC1)c1ccc(F)cc1"}
{"CAS":"64-65-3","Substance Name":"","SMILES":"CCC1(C)CC(=O)NC(=O)C1"}
{"CAS":"64-67-5","Substance Name":"","SMILES":"CCOS(=O)(=O)OCC"}
{"CAS":"64-69-7","Substance Name":"","SMILES":"O=C(O)CI"}
{"CAS":"64-77-7","Substance Name":"","SMILES":"CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1"}
{"CAS":"64-85-7","Substance Name":"","SMILES":"CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12"}
{"CAS":"64-86-8","Substance Name":"","SMILES":"COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2"}
{"CAS":"64-89-1","Substance Name":"","SMILES":"CCC(=O)c1ccc2c(c1)Sc1ccccc1N2C(C)CN(C)C"}
{"CAS":"64-96-0","Substance Name":"","SMILES":"CCN(CC)CCOc1ccc(C2=C(c3ccccc3)Cc3cc(OC)ccc32)cc1"}
{"CAS":"64-99-3","Substance Name":"","SMILES":"CCn1cnc(C(=O)NC)c1C(=O)NC"}
{"CAS":"65-14-5","Substance Name":"","SMILES":"CCC(c1ccc(O)cc1)C(C#N)c1ccc(O)cc1"}
{"CAS":"65-22-5","Substance Name":"","SMILES":"Cc1ncc(CO)c(C=O)c1O"}
{"CAS":"65-29-2","Substance Name":"","SMILES":"CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC"}
{"CAS":"65-45-2","Substance Name":"","SMILES":"NC(=O)c1ccccc1O"}
{"CAS":"65-49-6","Substance Name":"","SMILES":"Nc1ccc(C(=O)O)c(O)c1"}
{"CAS":"65-71-4","Substance Name":"","SMILES":"Cc1c[nH]c(=O)[nH]c1=O"}
{"CAS":"65-86-1","Substance Name":"","SMILES":"O=C(O)c1cc(=O)[nH]c(=O)[nH]1"}
{"CAS":"66-02-4","Substance Name":"","SMILES":"NC(Cc1cc(I)c(O)c(I)c1)C(=O)O"}
{"CAS":"66-05-7","Substance Name":"","SMILES":"CC(CNN)c1ccccc1"}
{"CAS":"66-22-8","Substance Name":"","SMILES":"O=c1cc[nH]c(=O)[nH]1"}
{"CAS":"66-25-1","Substance Name":"","SMILES":"CCCCCC=O"}
{"CAS":"66-27-3","Substance Name":"","SMILES":"COS(C)(=O)=O"}
{"CAS":"66-28-4","Substance Name":"","SMILES":"CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1"}
{"CAS":"66-32-0","Substance Name":"","SMILES":"O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46"}
{"CAS":"66-36-4","Substance Name":"","SMILES":"CC[N+](CC)(CC)C1CCC2(C)C(CCC3C2CCC2(C)C3CCC2[N+](CC)(CC)CC)C1"}
{"CAS":"66-40-0","Substance Name":"","SMILES":"CC[N+](CC)(CC)CC"}
{"CAS":"66-50-2","Substance Name":"","SMILES":"CC[N+](C)(CC)C1CCC2(C)C(CCC3C2CCC2(C)C3CCC2[N+](C)(CC)CC)C1"}
{"CAS":"66-56-8","Substance Name":"","SMILES":"O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-]"}
{"CAS":"66-57-9","Substance Name":"","SMILES":"O=C1NC(=O)C(C(c2ccccc2O)C2C(=O)NC(=O)NC2=O)C(=O)N1"}
{"CAS":"66-64-8","Substance Name":"","SMILES":"CC12CCC([N+](C)(C)C)CC1CCC1C2CCC2(C)C1CCC2[N+](C)(C)C"}
{"CAS":"66-71-7","Substance Name":"","SMILES":"c1cnc2c(c1)ccc1cccnc12"}
{"CAS":"66-75-1","Substance Name":"","SMILES":"O=c1[nH]cc(N(CCCl)CCCl)c(=O)[nH]1"}
{"CAS":"66-76-2","Substance Name":"","SMILES":"O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O"}
{"CAS":"66-77-3","Substance Name":"","SMILES":"O=Cc1cccc2ccccc12"}
{"CAS":"66-81-9","Substance Name":"","SMILES":"CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1"}
{"CAS":"66-83-1","Substance Name":"","SMILES":"COc1ccc2[nH]cc(CCN)c2c1"}
{"CAS":"66-98-8","Substance Name":"","SMILES":"O=Cc1ccc(-c2ccc(C=O)cc2)cc1"}
{"CAS":"66-99-9","Substance Name":"","SMILES":"O=Cc1ccc2ccccc2c1"}
{"CAS":"67-03-8","Substance Name":"","SMILES":"Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1"}
{"CAS":"67-06-1","Substance Name":"","SMILES":"Cc1ccccc1OCC[N+](C)(C)C"}
{"CAS":"67-28-7","Substance Name":"","SMILES":"CC(=O)N/N=C/c1ccc([N+](=O)[O-])o1"}
{"CAS":"67-30-1","Substance Name":"","SMILES":"O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1"}
{"CAS":"67-36-7","Substance Name":"","SMILES":"O=Cc1ccc(Oc2ccccc2)cc1"}
{"CAS":"67-42-5","Substance Name":"","SMILES":"O=C(O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O"}
{"CAS":"67-43-6","Substance Name":"","SMILES":"O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O"}
{"CAS":"67-45-8","Substance Name":"","SMILES":"O=C1OCCN1N=Cc1ccc([N+](=O)[O-])o1"}
{"CAS":"67-47-0","Substance Name":"","SMILES":"O=Cc1ccc(CO)o1"}
{"CAS":"67-48-1","Substance Name":"","SMILES":"C[N+](C)(C)CCO"}
{"CAS":"67-51-6","Substance Name":"","SMILES":"Cc1cc(C)[nH]n1"}
{"CAS":"67-52-7","Substance Name":"","SMILES":"O=C1CC(=O)NC(=O)N1"}
{"CAS":"67-56-1","Substance Name":"Methanol","Registry Name":"Methanol","SMILES":"CO"}
{"CAS":"67-62-9","Substance Name":"","SMILES":"CON"}
{"CAS":"67-63-0","Substance Name":"2-Propanol","Registry Name":"Isopropanol","SMILES":"CC(C)O"}
{"CAS":"67-64-1","Substance Name":"2-Propanone","Registry Name":"Acetone","SMILES":"CC(C)=O"}
{"CAS":"67-66-3","Substance Name":"Methane, trichloro-","Registry Name":"Chloroform","SMILES":"ClC(Cl)Cl"}
{"CAS":"67-68-5","Substance Name":"","SMILES":"CS(C)=O"}
{"CAS":"67-71-0","Substance Name":"","SMILES":"CS(C)(=O)=O"}
{"CAS":"67-72-1","Substance Name":"Ethane, 1,1,1,2,2,2-hexachloro-","Registry Name":"Hexachloroethane","SMILES":"ClC(Cl)(Cl)C(Cl)(Cl)Cl"}
{"CAS":"67-73-2","Substance Name":"","SMILES":"CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1"}
{"CAS":"67-92-5","Substance Name":"","SMILES":"CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1"}
{"CAS":"67-96-9","Substance Name":"","SMILES":"CC1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)C=CC(C)C(C)C"}
{"CAS":"67-97-0","Substance Name":"","SMILES":"C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)C"}
{"CAS":"67-98-1","Substance Name":"","SMILES":"CCN(CC)CCOc1ccc(C(O)(Cc2ccc(OC)cc2)c2ccccc2)cc1"}
{"CAS":"67-99-2","Substance Name":"","SMILES":"CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3"}
{"CAS":"68-12-2","Substance Name":"Formamide, N,N-dimethyl-","Registry Name":"N,N-Dimethylformamide","SMILES":"CN(C)C=O"}
{"CAS":"68-22-4","Substance Name":"","SMILES":"C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C"}
{"CAS":"68-26-8","Substance Name":"","SMILES":"CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCO"}
{"CAS":"68-34-8","Substance Name":"","SMILES":"Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1"}
{"CAS":"68-35-9","Substance Name":"","SMILES":"Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1"}
{"CAS":"68-36-0","Substance Name":"","SMILES":"ClC(Cl)(Cl)c1ccc(C(Cl)(Cl)Cl)cc1"}
{"CAS":"68-76-8","Substance Name":"","SMILES":"O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1"}
{"CAS":"68-89-3","Substance Name":"","SMILES":"Cc1c(N(C)CS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C"}
{"CAS":"68-90-6","Substance Name":"","SMILES":"CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1"}
{"CAS":"68-94-0","Substance Name":"","SMILES":"O=c1nc[nH]c2nc[nH]c12"}
{"CAS":"69-05-6","Substance Name":"","SMILES":"CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12"}
{"CAS":"69-14-7","Substance Name":"","SMILES":"CCC(c1ccc(OCCN(CC)CC)cc1)C(CC)c1ccc(OCCN(CC)CC)cc1"}
{"CAS":"69-23-8","Substance Name":"","SMILES":"OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1"}
{"CAS":"69-27-2","Substance Name":"","SMILES":"C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1"}
{"CAS":"69-33-0","Substance Name":"","SMILES":"Nc1ncnc2c1ccn2C1OC(CO)C(O)C1O"}
{"CAS":"69-48-7","Substance Name":"","SMILES":"Oc1cccc2nc3c(O)cccc3nc12"}
{"CAS":"69-53-4","Substance Name":"","SMILES":"CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O"}
{"CAS":"69-72-7","Substance Name":"","SMILES":"O=C(O)c1ccccc1O"}
{"CAS":"69-74-9","Substance Name":"","SMILES":"Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1"}
{"CAS":"69-78-3","Substance Name":"","SMILES":"O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-]"}
{"CAS":"69-79-4","Substance Name":"","SMILES":"OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O"}
{"CAS":"69-81-8","Substance Name":"","SMILES":"CN1CC(O)c2cc(N=NC(N)=O)c(O)cc21"}
{"CAS":"69-89-6","Substance Name":"","SMILES":"O=c1[nH]c(=O)c2[nH]cnc2[nH]1"}
{"CAS":"70-00-8","Substance Name":"","SMILES":"O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(F)(F)F"}
{"CAS":"70-07-5","Substance Name":"","SMILES":"COc1ccccc1OCC1CNC(=O)O1"}
{"CAS":"70-10-0","Substance Name":"","SMILES":"O=c1[nH]sc2cc(Cl)ccc12"}
{"CAS":"70-18-8","Substance Name":"","SMILES":"NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O"}
{"CAS":"70-22-4","Substance Name":"","SMILES":"O=C1CCCN1CC#CCN1CCCC1"}
{"CAS":"70-25-7","Substance Name":"","SMILES":"CN(N=O)C(N)=N[N+](=O)[O-]"}
{"CAS":"70-29-1","Substance Name":"","SMILES":"CCS(=O)CC"}
{"CAS":"70-30-4","Substance Name":"","SMILES":"Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl"}
{"CAS":"70-38-2","Substance Name":"","SMILES":"CC(C)=CC1C(C(=O)OCc2ccc(C)cc2C)C1(C)C"}
{"CAS":"70-43-9","Substance Name":"","SMILES":"CC(C)=CC1C(C(=O)OCc2cc3c(cc2Cl)OCO3)C1(C)C"}
{"CAS":"70-49-5","Substance Name":"","SMILES":"O=C(O)CC(S)C(=O)O"}
{"CAS":"70-51-9","Substance Name":"","SMILES":"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN"}
{"CAS":"70-55-3","Substance Name":"","SMILES":"Cc1ccc(S(N)(=O)=O)cc1"}
{"CAS":"70-58-6","Substance Name":"","SMILES":"NC(=O)c1cncc(F)c1"}
{"CAS":"70-69-9","Substance Name":"","SMILES":"CCC(=O)c1ccc(N)cc1"}
{"CAS":"70-70-2","Substance Name":"","SMILES":"CCC(=O)c1ccc(O)cc1"}
{"CAS":"70-97-3","Substance Name":"","SMILES":"O=CC(=O)c1ccc(Oc2ccccc2)cc1"}
{"CAS":"71-00-1","Substance Name":"","SMILES":"NC(Cc1cnc[nH]1)C(=O)O"}
{"CAS":"71-23-8","Substance Name":"","SMILES":"CCCO"}
{"CAS":"71-30-7","Substance Name":"","SMILES":"Nc1cc[nH]c(=O)n1"}
{"CAS":"71-36-3","Substance Name":"1-Butanol","Registry Name":"1-Butanol","SMILES":"CCCCO"}
{"CAS":"71-41-0","Substance Name":"","SMILES":"CCCCCO"}
{"CAS":"71-43-2","Substance Name":"Benzene","Registry Name":"Benzene","SMILES":"c1ccccc1"}
{"CAS":"71-55-6","Substance Name":"Ethane, 1,1,1-trichloro-","Registry Name":"1,1,1-Trichloroethane","SMILES":"CC(Cl)(Cl)Cl"}
{"CAS":"71-58-9","Substance Name":"","SMILES":"CC(=O)OC1(C(C)=O)CCC2C3CC(C)C4=CC(=O)CCC4(C)C3CCC21C"}
{"CAS":"71-62-5","Substance Name":"","SMILES":"COc1ccc(C(=O)OC2CCC3(C)C4CCC5C6(O)CC(O)C7(O)C(CN8CC(C)CCC8C7(C)O)C6(O)CC53OC24O)cc1OC"}
{"CAS":"71-63-6","Substance Name":"","SMILES":"CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O"}
{"CAS":"71-67-0","Substance Name":"","SMILES":"O=C1OC(c2ccc(O)c(S(=O)(=O)O)c2)(c2ccc(O)c(S(=O)(=O)O)c2)c2c(Br)c(Br)c(Br)c(Br)c21"}
{"CAS":"71-68-1","Substance Name":"","SMILES":"CN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3C1C5"}
{"CAS":"71-78-3","Substance Name":"","SMILES":"OC(c1ccccc1)(c1ccccc1)C1CCCCN1"}
{"CAS":"71-79-4","Substance Name":"","SMILES":"CN(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1"}
{"CAS":"71-81-8","Substance Name":"","SMILES":"CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C"}
{"CAS":"71-96-5","Substance Name":"","SMILES":"CC(C)OP(=O)(OC=C(Cl)Cl)OC(C)C"}
{"CAS":"71-97-6","Substance Name":"","SMILES":"CC(C)COP(=O)(OC=C(Cl)Cl)OCC(C)C"}
{"CAS":"71-98-7","Substance Name":"","SMILES":"CCCOP(=O)(OC=C(Cl)Cl)OCCC"}
{"CAS":"72-00-4","Substance Name":"","SMILES":"CCOP(=O)(OC=C(Cl)Cl)OCC"}
{"CAS":"72-17-3","Substance Name":"","SMILES":"CC(O)C(=O)O"}
{"CAS":"72-18-4","Substance Name":"","SMILES":"CC(C)C(N)C(=O)O"}
{"CAS":"72-19-5","Substance Name":"","SMILES":"CC(O)C(N)C(=O)O"}
{"CAS":"72-33-3","Substance Name":"","SMILES":"C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C"}
{"CAS":"72-43-5","Substance Name":"","SMILES":"COc1ccc(C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1"}
{"CAS":"72-48-0","Substance Name":"","SMILES":"O=C1c2ccccc2C(=O)c2c1ccc(O)c2O"}
{"CAS":"72-54-8","Substance Name":"","SMILES":"Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)Cl)cc1"}
{"CAS":"72-55-9","Substance Name":"","SMILES":"ClC(Cl)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1"}
{"CAS":"72-56-0","Substance Name":"","SMILES":"CCc1ccc(C(c2ccc(CC)cc2)C(Cl)Cl)cc1"}
{"CAS":"72-57-1","Substance Name":"","SMILES":"Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O"}
{"CAS":"72-60-6","Substance Name":"","SMILES":"CC[N+](C)(C)C1CCC2(C)C(CCC3C2CCC2(C)C3CCC2[N+](C)(C)CC)C1"}
{"CAS":"72-63-9","Substance Name":"","SMILES":"CC12C=CC(=O)C=C1CCC1C2CCC2(C)C1CCC2(C)O"}
{"CAS":"72-80-0","Substance Name":"","SMILES":"Cc1ccc2c(Cl)cc(Cl)c(O)c2n1"}
{"CAS":"73-09-6","Substance Name":"","SMILES":"CCOC(=O)C=C1SC(N2CCCCC2)C(=O)N1C"}
{"CAS":"73-24-5","Substance Name":"","SMILES":"Nc1ncnc2nc[nH]c12"}
{"CAS":"73-31-4","Substance Name":"","SMILES":"COc1ccc2[nH]cc(CCNC(C)=O)c2c1"}
{"CAS":"73-32-5","Substance Name":"","SMILES":"CCC(C)C(N)C(=O)O"}
{"CAS":"73-48-3","Substance Name":"","SMILES":"NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O"}
{"CAS":"73-49-4","Substance Name":"","SMILES":"CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1"}
{"CAS":"73-51-8","Substance Name":"","SMILES":"C[N+](C)(CCO)C(=O)Cc1ccc(-c2ccc(CC(=O)[N+](C)(C)CCO)cc2)cc1"}
{"CAS":"73-66-5","Substance Name":"","SMILES":"CCOCc1cnc(C)nc1N"}
{"CAS":"73-78-9","Substance Name":"","SMILES":"CCN(CC)CC(=O)Nc1c(C)cccc1C"}
{"CAS":"74-11-3","Substance Name":"","SMILES":"O=C(O)c1ccc(Cl)cc1"}
{"CAS":"74-31-7","Substance Name":"","SMILES":"c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1"}
{"CAS":"74-55-5","Substance Name":"","SMILES":"CCC(CO)NCCNC(CC)CO"}
{"CAS":"74-59-9","Substance Name":"","SMILES":"CC(C)OP(=S)(Oc1ccc([N+](=O)[O-])cc1)OC(C)C"}
{"CAS":"74-60-2","Substance Name":"","SMILES":"CC(C)OP(=S)(Oc1ccc(S(C)=O)cc1)OC(C)C"}
{"CAS":"74-61-3","Substance Name":"","SMILES":"O=S(=O)(O)CC(S)CS"}
{"CAS":"74-83-9","Substance Name":"Methane, bromo-","Registry Name":"Methyl bromide","SMILES":"CBr"}
{"CAS":"74-87-3","Substance Name":"Methane, chloro-","Registry Name":"Chloromethane","SMILES":"CCl"}
{"CAS":"74-88-4","Substance Name":"","SMILES":"CI"}
{"CAS":"74-90-8","Substance Name":"Hydrocyanic acid","Registry Name":"Hydrogen cyanide","SMILES":"C#N"}
{"CAS":"74-93-1","Substance Name":"Methanethiol","Registry Name":"Methyl mercaptan","SMILES":"CS"}
{"CAS":"74-94-2","Substance Name":"","SMILES":"CNC"}
{"CAS":"74-95-3","Substance Name":"Methane, dibromo-","Registry Name":"Dibromomethane","SMILES":"BrCBr"}
{"CAS":"74-96-4","Substance Name":"","SMILES":"CCBr"}
{"CAS":"74-97-5","Substance Name":"Methane, bromochloro-","Registry Name":"Halon 1011","SMILES":"ClCBr"}
{"CAS":"75-01-4","Substance Name":"Ethene, chloro-","Registry Name":"Vinyl chloride","SMILES":"C=CCl"}
{"CAS":"75-03-6","Substance Name":"","SMILES":"CCI"}
{"CAS":"75-05-8","Substance Name":"","SMILES":"CC#N"}
{"CAS":"75-07-0","Substance Name":"","SMILES":"CC=O"}
{"CAS":"75-08-1","Substance Name":"Ethanethiol","Registry Name":"Ethyl mercaptan","SMILES":"CCS"}
{"CAS":"75-09-2","Substance Name":"Methane, dichloro-","Registry Name":"Methylene chloride","SMILES":"ClCCl"}
{"CAS":"75-11-6","Substance Name":"","SMILES":"ICI"}
{"CAS":"75-12-7","Substance Name":"","SMILES":"NC=O"}
{"CAS":"75-15-0","Substance Name":"Carbon disulfide","Registry Name":"Carbon disulfide","SMILES":"S=C=S"}
{"CAS":"75-18-3","Substance Name":"","SMILES":"CSC"}
{"CAS":"75-21-8","Substance Name":"Oxirane","Registry Name":"Ethylene oxide","SMILES":"C1CO1"}
{"CAS":"75-25-2","Substance Name":"Methane, tribromo-","Registry Name":"Tribromomethane","SMILES":"BrC(Br)Br"}
{"CAS":"75-26-3","Substance Name":"","SMILES":"CC(C)Br"}
{"CAS":"75-27-4","Substance Name":"Methane, bromodichloro-","Registry Name":"Dichlorobromomethane","SMILES":"ClC(Cl)Br"}
{"CAS":"75-29-6","Substance Name":"","SMILES":"CC(C)Cl"}
{"CAS":"75-30-9","Substance Name":"","SMILES":"CC(C)I"}
{"CAS":"75-31-0","Substance Name":"","SMILES":"CC(C)N"}
{"CAS":"75-34-3","Substance Name":"Ethane, 1,1-dichloro-","Registry Name":"1,1-Dichloroethane","SMILES":"CC(Cl)Cl"}
{"CAS":"75-35-4","Substance Name":"Ethene, 1,1-dichloro-","Registry Name":"1,1-Dichloroethylene","SMILES":"C=C(Cl)Cl"}
{"CAS":"75-36-5","Substance Name":"","SMILES":"CC(=O)Cl"}
{"CAS":"75-47-8","Substance Name":"","SMILES":"IC(I)I"}
{"CAS":"75-50-3","Substance Name":"","SMILES":"CN(C)C"}
{"CAS":"75-52-5","Substance Name":"","SMILES":"C[N+](=O)[O-]"}
{"CAS":"75-55-8","Substance Name":"","SMILES":"CC1CN1"}
{"CAS":"75-56-9","Substance Name":"","SMILES":"CC1CO1"}
{"CAS":"75-57-0","Substance Name":"","SMILES":"C[N+](C)(C)C"}
{"CAS":"75-60-5","Substance Name":"Arsinic acid, As,As-dimethyl-","Registry Name":"Cacodylic acid","SMILES":"C[As](C)(=O)O"}
{"CAS":"75-62-7","Substance Name":"","SMILES":"ClC(Cl)(Cl)Br"}
{"CAS":"75-65-0","Substance Name":"","SMILES":"CC(C)(C)O"}
{"CAS":"75-66-1","Substance Name":"","SMILES":"CC(C)(C)S"}
{"CAS":"75-69-4","Substance Name":"Methane, trichlorofluoro-","Registry Name":"CFC-11","SMILES":"FC(Cl)(Cl)Cl"}
{"CAS":"75-74-1","Substance Name":"","SMILES":"C[Pb](C)(C)C"}
{"CAS":"75-75-2","Substance Name":"","SMILES":"CS(=O)(=O)O"}
{"CAS":"75-81-0","Substance Name":"","SMILES":"ClC(Cl)(Br)CBr"}
{"CAS":"75-85-4","Substance Name":"","SMILES":"CCC(C)(C)O"}
{"CAS":"75-86-5","Substance Name":"","SMILES":"CC(C)(O)C#N"}
{"CAS":"75-87-6","Substance Name":"","SMILES":"O=CC(Cl)(Cl)Cl"}
{"CAS":"75-89-8","Substance Name":"","SMILES":"OCC(F)(F)F"}
{"CAS":"75-91-2","Substance Name":"","SMILES":"CC(C)(C)OO"}
{"CAS":"75-94-5","Substance Name":"","SMILES":"C=C[Si](Cl)(Cl)Cl"}
{"CAS":"75-97-8","Substance Name":"","SMILES":"CC(=O)C(C)(C)C"}
{"CAS":"75-98-9","Substance Name":"","SMILES":"CC(C)(C)C(=O)O"}
{"CAS":"76-00-6","Substance Name":"","SMILES":"CC(O)C(Cl)(Cl)Cl"}
{"CAS":"76-01-7","Substance Name":"Ethane, 1,1,1,2,2-pentachloro-","Registry Name":"Pentachloroethane","SMILES":"ClC(Cl)C(Cl)(Cl)Cl"}
{"CAS":"76-02-8","Substance Name":"","SMILES":"O=C(Cl)C(Cl)(Cl)Cl"}
{"CAS":"76-06-2","Substance Name":"","SMILES":"O=[N+]([O-])C(Cl)(Cl)Cl"}
{"CAS":"76-09-5","Substance Name":"","SMILES":"CC(C)(O)C(C)(C)O"}
{"CAS":"76-11-9","Substance Name":"","SMILES":"FC(F)(Cl)C(Cl)(Cl)Cl"}
{"CAS":"76-12-0","Substance Name":"","SMILES":"FC(Cl)(Cl)C(F)(Cl)Cl"}
{"CAS":"76-13-1","Substance Name":"Ethane, 1,1,2-trichloro-1,2,2-trifluoro-","Registry Name":"CFC-113","SMILES":"FC(F)(Cl)C(F)(Cl)Cl"}
{"CAS":"76-21-1","Substance Name":"","SMILES":"O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F"}
{"CAS":"76-25-5","Substance Name":"","SMILES":"CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1"}
{"CAS":"76-29-9","Substance Name":"","SMILES":"CC12CCC(C(Br)C1=O)C2(C)C"}
{"CAS":"76-38-0","Substance Name":"","SMILES":"COC(F)(F)C(Cl)Cl"}
{"CAS":"76-42-6","Substance Name":"","SMILES":"COc1ccc2c3c1OC1C(=O)CCC4(O)C(C2)N(C)CCC314"}
{"CAS":"76-43-7","Substance Name":"","SMILES":"CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC21C"}
{"CAS":"76-44-8","Substance Name":"","SMILES":"ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl"}
{"CAS":"76-50-6","Substance Name":"","SMILES":"CC(C)CC(=O)OC1CC2CCC1(C)C2(C)C"}
{"CAS":"76-63-1","Substance Name":"","SMILES":"C=CC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1"}
{"CAS":"76-66-4","Substance Name":"","SMILES":"CCC1CN2CCC3(C(=O)Nc4ccccc43)C2CC1C(=COC)C(=O)OC"}
{"CAS":"76-74-4","Substance Name":"","SMILES":"CCCC(C)C1(CC)C(=O)NC(=O)NC1=O"}
{"CAS":"76-75-5","Substance Name":"","SMILES":"CCCC(C)C1(CC)C(=O)NC(=S)NC1=O"}
{"CAS":"76-76-6","Substance Name":"","SMILES":"CCC1(C(C)C)C(=O)NC(=O)NC1=O"}
{"CAS":"76-83-5","Substance Name":"","SMILES":"ClC(c1ccccc1)(c1ccccc1)c1ccccc1"}
{"CAS":"76-86-8","Substance Name":"","SMILES":"Cl[Si](c1ccccc1)(c1ccccc1)c1ccccc1"}
{"CAS":"76-87-9","Substance Name":"","SMILES":"O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1"}
{"CAS":"76-90-4","Substance Name":"","SMILES":"C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1"}
{"CAS":"76-93-7","Substance Name":"","SMILES":"O=C(O)C(O)(c1ccccc1)c1ccccc1"}
{"CAS":"76-98-2","Substance Name":"","SMILES":"CCC1CC2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)C(C(=O)OC)(C2)C13"}
{"CAS":"77-01-0","Substance Name":"","SMILES":"NC(=O)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1"}
{"CAS":"77-02-1","Substance Name":"","SMILES":"C=CCC1(C(C)C)C(=O)NC(=O)NC1=O"}
{"CAS":"77-04-3","Substance Name":"","SMILES":"CCC1(CC)C(=O)C=CNC1=O"}
{"CAS":"77-06-5","Substance Name":"","SMILES":"C=C1CC23CC1(O)CCC2C12C=CC(O)C(C)(C(=O)O1)C2C3C(=O)O"}
{"CAS":"77-15-6","Substance Name":"","SMILES":"CCOC(=O)C1(c2ccccc2)CCCN(C)CC1"}
{"CAS":"77-21-4","Substance Name":"","SMILES":"CCC1(c2ccccc2)CCC(=O)NC1=O"}
{"CAS":"77-26-9","Substance Name":"","SMILES":"C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O"}
{"CAS":"77-36-1","Substance Name":"","SMILES":"NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl"}
{"CAS":"77-41-8","Substance Name":"","SMILES":"CN1C(=O)CC(C)(c2ccccc2)C1=O"}
{"CAS":"77-47-4","Substance Name":"1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-","Registry Name":"Hexachlorocyclopentadiene","SMILES":"ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl"}
{"CAS":"77-48-5","Substance Name":"","SMILES":"CC1(C)C(=O)N(Br)C(=O)N1Br"}
{"CAS":"77-49-6","Substance Name":"","SMILES":"CC(CO)(CO)[N+](=O)[O-]"}
{"CAS":"77-51-0","Substance Name":"","SMILES":"CC(CC(C#N)(c1ccccc1)C(C)C)N(C)C"}
{"CAS":"77-53-2","Substance Name":"","SMILES":"CC1CCC2C(C)(C)C3CC12CCC3(C)O"}
{"CAS":"77-54-3","Substance Name":"","SMILES":"CC(=O)OC1(C)CCC23CC1C(C)(C)C2CCC3C"}
{"CAS":"77-58-7","Substance Name":"","SMILES":"CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC"}
{"CAS":"77-65-6","Substance Name":"","SMILES":"CCC(Br)(CC)C(=O)NC(N)=O"}
{"CAS":"77-66-7","Substance Name":"","SMILES":"CCC(Br)(CC)C(=O)NC(=O)NC(C)=O"}
{"CAS":"77-67-8","Substance Name":"","SMILES":"CCC1(C)CC(=O)NC1=O"}
{"CAS":"77-71-4","Substance Name":"","SMILES":"CC1(C)NC(=O)NC1=O"}
{"CAS":"77-73-6","Substance Name":"4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-","Registry Name":"Dicyclopentadiene","SMILES":"C1=CC2C3C=CC(C3)C2C1"}
{"CAS":"77-74-7","Substance Name":"","SMILES":"CCC(C)(O)CC"}
{"CAS":"77-75-8","Substance Name":"","SMILES":"C#CC(C)(O)CC"}
{"CAS":"77-77-0","Substance Name":"","SMILES":"C=CS(=O)(=O)C=C"}
{"CAS":"77-78-1","Substance Name":"Sulfuric acid, dimethyl ester","Registry Name":"Dimethyl sulfate","SMILES":"COS(=O)(=O)OC"}
{"CAS":"77-79-2","Substance Name":"","SMILES":"O=S1(=O)CC=CC1"}
{"CAS":"77-80-5","Substance Name":"","SMILES":"c1ccc([Sn](S[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1"}
{"CAS":"77-81-6","Substance Name":"","SMILES":"CCOP(=O)(C#N)N(C)C"}
{"CAS":"77-83-8","Substance Name":"","SMILES":"CCOC(=O)C1OC1(C)c1ccccc1"}
{"CAS":"77-86-1","Substance Name":"","SMILES":"NC(CO)(CO)CO"}
{"CAS":"77-89-4","Substance Name":"","SMILES":"CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC"}
{"CAS":"77-90-7","Substance Name":"","SMILES":"CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC"}
{"CAS":"77-93-0","Substance Name":"","SMILES":"CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC"}
{"CAS":"77-94-1","Substance Name":"","SMILES":"CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC"}
{"CAS":"77-95-2","Substance Name":"","SMILES":"O=C(O)C1(O)CC(O)C(O)C(O)C1"}
{"CAS":"77-99-6","Substance Name":"","SMILES":"CCC(CO)(CO)CO"}
{"CAS":"78-00-2","Substance Name":"Plumbane, tetraethyl-","Registry Name":"Tetraethyllead","SMILES":"CC[Pb](CC)(CC)CC"}
{"CAS":"78-06-8","Substance Name":"","SMILES":"CCCC[Sn]1(CCCC)OC(=O)CCS1"}
{"CAS":"78-07-9","Substance Name":"","SMILES":"CCO[Si](CC)(OCC)OCC"}
{"CAS":"78-10-4","Substance Name":"","SMILES":"CCO[Si](OCC)(OCC)OCC"}
{"CAS":"78-11-5","Substance Name":"1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, 1,3-dinitrate","Registry Name":"Pentaerythritol tetranitrate","SMILES":"O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]"}
{"CAS":"78-12-6","Substance Name":"","SMILES":"OC(OCC(COC(O)C(Cl)(Cl)Cl)(COC(O)C(Cl)(Cl)Cl)COC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"}
{"CAS":"78-18-2","Substance Name":"","SMILES":"OOC1(OOC2(O)CCCCC2)CCCCC1"}
{"CAS":"78-19-3","Substance Name":"","SMILES":"C=CC1OCC2(CO1)COC(C=C)OC2"}
{"CAS":"78-20-6","Substance Name":"","SMILES":"CCCC[Sn]1(CCCC)OC(=O)CS1"}
{"CAS":"78-27-3","Substance Name":"","SMILES":"C#CC1(O)CCCCC1"}
{"CAS":"78-28-4","Substance Name":"","SMILES":"CCC(C)(CC)OC(N)=O"}
{"CAS":"78-30-8","Substance Name":"","SMILES":"Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C"}
{"CAS":"78-34-2","Substance Name":"","SMILES":"CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC"}
{"CAS":"78-35-3","Substance Name":"","SMILES":"C=CC(C)(CCC=C(C)C)OC(=O)C(C)C"}
{"CAS":"78-37-5","Substance Name":"","SMILES":"C=CC(C)(CCC=C(C)C)OC(=O)C=Cc1ccccc1"}
{"CAS":"78-38-6","Substance Name":"","SMILES":"CCOP(=O)(CC)OCC"}
{"CAS":"78-40-0","Substance Name":"","SMILES":"CCOP(=O)(OCC)OCC"}
{"CAS":"78-41-1","Substance Name":"","SMILES":"CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1"}
{"CAS":"78-42-2","Substance Name":"","SMILES":"CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC"}
{"CAS":"78-43-3","Substance Name":"","SMILES":"O=P(OCC(Cl)CCl)(OCC(Cl)CCl)OCC(Cl)CCl"}
{"CAS":"78-44-4","Substance Name":"","SMILES":"CCCC(C)(COC(N)=O)COC(=O)NC(C)C"}
{"CAS":"78-46-6","Substance Name":"","SMILES":"CCCCOP(=O)(CCCC)OCCCC"}
{"CAS":"78-48-8","Substance Name":"","SMILES":"CCCCSP(=O)(SCCCC)SCCCC"}
{"CAS":"78-51-3","Substance Name":"","SMILES":"CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC"}
{"CAS":"78-52-4","Substance Name":"","SMILES":"CCOP(=S)(OCC)SCSC(C)C"}
{"CAS":"78-53-5","Substance Name":"","SMILES":"CCOP(=O)(OCC)SCCN(CC)CC"}
{"CAS":"78-54-6","Substance Name":"","SMILES":"OC1(C#CC2(O)CCCCC2)CCCCC1"}
{"CAS":"78-57-9","Substance Name":"","SMILES":"COP(=S)(OC)SCc1nc(N)nc(N)n1"}
{"CAS":"78-59-1","Substance Name":"2-Cyclohexen-1-one, 3,5,5-trimethyl-","Registry Name":"Isophorone","SMILES":"CC1=CC(=O)CC(C)(C)C1"}
{"CAS":"78-62-6","Substance Name":"","SMILES":"CCO[Si](C)(C)OCC"}
{"CAS":"78-63-7","Substance Name":"","SMILES":"CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C"}
{"CAS":"78-66-0","Substance Name":"","SMILES":"CCC(C)(O)C#CC(C)(O)CC"}
{"CAS":"78-67-1","Substance Name":"","SMILES":"CC(C)(C#N)N=NC(C)(C)C#N"}
{"CAS":"78-69-3","Substance Name":"","SMILES":"CCC(C)(O)CCCC(C)C"}
{"CAS":"78-70-6","Substance Name":"","SMILES":"C=CC(C)(O)CCC=C(C)C"}
{"CAS":"78-71-7","Substance Name":"","SMILES":"ClCC1(CCl)COC1"}
{"CAS":"78-75-1","Substance Name":"","SMILES":"CC(Br)CBr"}
{"CAS":"78-77-3","Substance Name":"","SMILES":"CC(C)CBr"}
{"CAS":"78-80-8","Substance Name":"","SMILES":"C#CC(=C)C"}
{"CAS":"78-82-0","Substance Name":"","SMILES":"CC(C)C#N"}
{"CAS":"78-83-1","Substance Name":"","SMILES":"CC(C)CO"}
{"CAS":"78-84-2","Substance Name":"","SMILES":"CC(C)C=O"}
{"CAS":"78-85-3","Substance Name":"","SMILES":"C=C(C)C=O"}
{"CAS":"78-87-5","Substance Name":"Propane, 1,2-dichloro-","Registry Name":"1,2-Dichloropropane","SMILES":"CC(Cl)CCl"}
{"CAS":"78-88-6","Substance Name":"","SMILES":"C=C(Cl)CCl"}
{"CAS":"78-89-7","Substance Name":"","SMILES":"CC(Cl)CO"}
{"CAS":"78-90-0","Substance Name":"","SMILES":"CC(N)CN"}
{"CAS":"78-92-2","Substance Name":"","SMILES":"CCC(C)O"}
{"CAS":"78-93-3","Substance Name":"2-Butanone","Registry Name":"Methyl ethyl ketone","SMILES":"CCC(C)=O"}
{"CAS":"78-94-4","Substance Name":"","SMILES":"C=CC(C)=O"}
{"CAS":"78-95-5","Substance Name":"","SMILES":"CC(=O)CCl"}
{"CAS":"78-96-6","Substance Name":"","SMILES":"CC(O)CN"}
{"CAS":"78-97-7","Substance Name":"","SMILES":"CC(O)C#N"}
{"CAS":"78-98-8","Substance Name":"","SMILES":"C=C(O)C=O"}
{"CAS":"78-99-9","Substance Name":"","SMILES":"CCC(Cl)Cl"}
{"CAS":"79-00-5","Substance Name":"Ethane, 1,1,2-trichloro-","Registry Name":"1,1,2-Trichloroethane","SMILES":"ClCC(Cl)Cl"}
{"CAS":"79-01-6","Substance Name":"Ethene, 1,1,2-trichloro-","Registry Name":"Trichloroethylene","SMILES":"ClC=C(Cl)Cl"}
{"CAS":"79-04-9","Substance Name":"","SMILES":"O=C(Cl)CCl"}
{"CAS":"79-06-1","Substance Name":"","SMILES":"C=CC(N)=O"}
{"CAS":"79-07-2","Substance Name":"","SMILES":"NC(=O)CCl"}
{"CAS":"79-08-3","Substance Name":"","SMILES":"O=C(O)CBr"}
{"CAS":"79-09-4","Substance Name":"Propanoic acid","Registry Name":"Propionic acid","SMILES":"CCC(=O)O"}
{"CAS":"79-10-7","Substance Name":"","SMILES":"C=CC(=O)O"}
{"CAS":"79-14-1","Substance Name":"","SMILES":"O=C(O)CO"}
{"CAS":"79-16-3","Substance Name":"","SMILES":"CNC(C)=O"}
{"CAS":"79-17-4","Substance Name":"","SMILES":"NN=C(N)N"}
{"CAS":"79-19-6","Substance Name":"","SMILES":"NNC(N)=S"}
{"CAS":"79-20-9","Substance Name":"Acetic acid, methyl ester","Registry Name":"Methyl acetate","SMILES":"COC(C)=O"}
{"CAS":"79-21-0","Substance Name":"","SMILES":"CC(=O)OO"}
{"CAS":"79-22-1","Substance Name":"","SMILES":"COC(=O)Cl"}
{"CAS":"79-24-3","Substance Name":"","SMILES":"CC[N+](=O)[O-]"}
{"CAS":"79-27-6","Substance Name":"","SMILES":"BrC(Br)C(Br)Br"}
{"CAS":"79-34-5","Substance Name":"Ethane, 1,1,2,2-tetrachloro-","Registry Name":"1,1,2,2-Tetrachloroethane","SMILES":"ClC(Cl)C(Cl)Cl"}
{"CAS":"79-36-7","Substance Name":"","SMILES":"O=C(Cl)C(Cl)Cl"}
{"CAS":"79-38-9","Substance Name":"","SMILES":"FC(F)=C(F)Cl"}
{"CAS":"79-39-0","Substance Name":"","SMILES":"C=C(C)C(N)=O"}
{"CAS":"79-40-3","Substance Name":"","SMILES":"NC(=S)C(N)=S"}
{"CAS":"79-41-4","Substance Name":"","SMILES":"C=C(C)C(=O)O"}
{"CAS":"79-44-7","Substance Name":"","SMILES":"CN(C)C(=O)Cl"}
{"CAS":"79-46-9","Substance Name":"","SMILES":"CC(C)[N+](=O)[O-]"}
{"CAS":"79-52-7","Substance Name":"","SMILES":"O=C(C(F)(F)Cl)C(F)(Cl)Cl"}
{"CAS":"79-74-3","Substance Name":"","SMILES":"CCC(C)(C)c1cc(O)c(C(C)(C)CC)cc1O"}
{"CAS":"79-78-7","Substance Name":"","SMILES":"C=CCCC(=O)/C=C/C1C(C)=CCCC1(C)C"}
{"CAS":"79-81-2","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C"}
{"CAS":"79-83-4","Substance Name":"","SMILES":"CC(C)(CO)C(O)C(=O)NCCC(=O)O"}
{"CAS":"79-90-3","Substance Name":"","SMILES":"CC1CCCC(C)(C)C1CCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC1C(C)CCCC1(C)C"}
{"CAS":"79-92-5","Substance Name":"","SMILES":"C=C1C2CCC(C2)C1(C)C"}
{"CAS":"79-93-6","Substance Name":"","SMILES":"CC(C)(O)C(C)(O)c1ccc(Cl)cc1"}
{"CAS":"79-95-8","Substance Name":"","SMILES":"CC(C)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1"}
{"CAS":"79-96-9","Substance Name":"","SMILES":"CC(C)(C)c1cc(C(C)(C)c2ccc(O)c(C(C)(C)C)c2)ccc1O"}
{"CAS":"79-97-0","Substance Name":"","SMILES":"Cc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O"}
{"CAS":"80-00-2","Substance Name":"","SMILES":"O=S(=O)(c1ccccc1)c1ccc(Cl)cc1"}
{"CAS":"80-02-4","Substance Name":"","SMILES":"Nc1ccc(S(=O)(=O)c2ccc(NCCO)cc2)cc1"}
{"CAS":"80-05-7","Substance Name":"","SMILES":"CC(C)(c1ccc(O)cc1)c1ccc(O)cc1"}
{"CAS":"80-06-8","Substance Name":"","SMILES":"CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1"}
{"CAS":"80-07-9","Substance Name":"","SMILES":"O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1"}
{"CAS":"80-08-0","Substance Name":"","SMILES":"Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1"}
{"CAS":"80-09-1","Substance Name":"","SMILES":"O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1"}
{"CAS":"80-11-5","Substance Name":"","SMILES":"Cc1ccc(S(=O)(=O)N(C)N=O)cc1"}
{"CAS":"80-12-6","Substance Name":"","SMILES":"O=S1(=O)N2CN3CN1CN(C2)S3(=O)=O"}
{"CAS":"80-15-9","Substance Name":"","SMILES":"CC(C)(OO)c1ccccc1"}
{"CAS":"80-18-2","Substance Name":"","SMILES":"COS(=O)(=O)c1ccccc1"}
{"CAS":"80-25-1","Substance Name":"","SMILES":"CC(=O)OC(C)(C)C1CCC(C)CC1"}
{"CAS":"80-26-2","Substance Name":"","SMILES":"CC(=O)OC(C)(C)C1CC=C(C)CC1"}
{"CAS":"80-33-1","Substance Name":"","SMILES":"O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(Cl)cc1"}
{"CAS":"80-34-2","Substance Name":"","SMILES":"CC(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1"}
{"CAS":"80-35-3","Substance Name":"","SMILES":"COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1"}
{"CAS":"80-38-6","Substance Name":"","SMILES":"O=S(=O)(Oc1ccc(Cl)cc1)c1ccccc1"}
{"CAS":"80-40-0","Substance Name":"","SMILES":"CCOS(=O)(=O)c1ccc(C)cc1"}
{"CAS":"80-41-1","Substance Name":"","SMILES":"Cc1ccc(S(=O)(=O)OCCCl)cc1"}
{"CAS":"80-43-3","Substance Name":"","SMILES":"CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1"}
{"CAS":"80-46-6","Substance Name":"","SMILES":"CCC(C)(C)c1ccc(O)cc1"}
{"CAS":"80-48-8","Substance Name":"","SMILES":"COS(=O)(=O)c1ccc(C)cc1"}
{"CAS":"80-49-9","Substance Name":"","SMILES":"C[N+]1(C)C2CCC1CC(OC(=O)C(O)c1ccccc1)C2"}
{"CAS":"80-50-2","Substance Name":"","SMILES":"CCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C"}
{"CAS":"80-52-4","Substance Name":"","SMILES":"CC1(N)CCC(C(C)(C)N)CC1"}
{"CAS":"80-54-6","Substance Name":"","SMILES":"CC(C=O)Cc1ccc(C(C)(C)C)cc1"}
{"CAS":"80-56-8","Substance Name":"","SMILES":"CC1=CCC2CC1C2(C)C"}
{"CAS":"80-59-1","Substance Name":"","SMILES":"CC=C(C)C(=O)O"}
{"CAS":"80-62-6","Substance Name":"2-Propenoic acid, 2-methyl-, methyl ester","Registry Name":"Methyl methacrylate","SMILES":"C=C(C)C(=O)OC"}
{"CAS":"80-63-7","Substance Name":"","SMILES":"C=C(Cl)C(=O)OC"}
{"CAS":"80-71-7","Substance Name":"","SMILES":"CC1=C(O)C(=O)CC1"}
{"CAS":"80-73-9","Substance Name":"","SMILES":"CN1CCN(C)C1=O"}
{"CAS":"80-77-3","Substance Name":"","SMILES":"CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1"}
{"CAS":"80-81-9","Substance Name":"","SMILES":"CCc1ccc2c(c1)C(C)(C)CCC2(C)C"}
{"CAS":"80-92-2","Substance Name":"","SMILES":"CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C"}
{"CAS":"81-04-9","Substance Name":"","SMILES":"O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12"}
{"CAS":"81-11-8","Substance Name":"","SMILES":"Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1"}
{"CAS":"81-14-1","Substance Name":"","SMILES":"CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C"}
{"CAS":"81-15-2","Substance Name":"","SMILES":"Cc1c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-]"}
{"CAS":"81-16-3","Substance Name":"","SMILES":"Nc1ccc2ccccc2c1S(=O)(=O)O"}
{"CAS":"81-20-9","Substance Name":"","SMILES":"Cc1cccc(C)c1[N+](=O)[O-]"}
{"CAS":"81-21-0","Substance Name":"","SMILES":"C1C2OC2C2C1C1CC2C2OC12"}
{"CAS":"81-26-5","Substance Name":"","SMILES":"Cc1ccc2c(c1-c1c(C)ccc3c1C(=O)c1ccccc1C3=O)C(=O)c1ccccc1C2=O"}
{"CAS":"81-29-8","Substance Name":"","SMILES":"Clc1cc(Cl)c2ccc3c(Cl)cc(Cl)c4ccc1c2c43"}
{"CAS":"81-30-1","Substance Name":"","SMILES":"O=c1oc(=O)c2ccc3c(=O)oc(=O)c4ccc1c2c43"}
{"CAS":"81-45-8","Substance Name":"","SMILES":"O=C(Nc1ccc(Cl)c2c1C(=O)c1ccccc1C2=O)c1ccccc1"}
{"CAS":"81-51-6","Substance Name":"","SMILES":"Nc1c(O)cc(O)c2c1C(=O)c1ccccc1C2=O"}
{"CAS":"81-55-0","Substance Name":"","SMILES":"O=C1c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])ccc(O)c21"}
{"CAS":"81-60-7","Substance Name":"","SMILES":"O=C1c2c(O)ccc(O)c2C(=O)c2c(O)ccc(O)c21"}
{"CAS":"81-64-1","Substance Name":"","SMILES":"O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21"}
{"CAS":"81-69-6","Substance Name":"","SMILES":"Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1S(=O)(=O)O"}
{"CAS":"81-77-6","Substance Name":"","SMILES":"O=c1c2ccccc2c(=O)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12"}
{"CAS":"81-81-2","Substance Name":"","SMILES":"CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O"}
{"CAS":"81-84-5","Substance Name":"","SMILES":"O=C1OC(=O)c2cccc3cccc1c23"}
{"CAS":"81-88-9","Substance Name":"","SMILES":"CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1"}
{"CAS":"81-93-6","Substance Name":"","SMILES":"Nc1ccc2nc3ccc(N)cc3[n+](-c3ccccc3)c2c1"}
{"CAS":"81-96-9","Substance Name":"","SMILES":"O=C1c2ccccc2-c2ccc(Br)c3cccc1c23"}
{"CAS":"81-98-1","Substance Name":"","SMILES":"O=C1c2cc(Br)ccc2-c2ccc(Br)c3cccc1c23"}
{"CAS":"82-02-0","Substance Name":"","SMILES":"COc1c2occc2c(OC)c2c(=O)cc(C)oc12"}
{"CAS":"82-05-3","Substance Name":"","SMILES":"O=C1c2ccccc2-c2cccc3cccc1c23"}
{"CAS":"82-15-5","Substance Name":"","SMILES":"Nc1cccc2c1C(=O)c1c(Nc3ccccc3C(=O)O)cccc1C2=O"}
{"CAS":"82-33-7","Substance Name":"","SMILES":"Nc1ccc(N)c2c1C(=O)c1cccc([N+](=O)[O-])c1C2=O"}
{"CAS":"82-34-8","Substance Name":"","SMILES":"O=C1c2ccccc2C(=O)c2c1cccc2[N+](=O)[O-]"}
{"CAS":"82-35-9","Substance Name":"","SMILES":"O=C1c2cccc([N+](=O)[O-])c2C(=O)c2cccc([N+](=O)[O-])c21"}
{"CAS":"82-44-0","Substance Name":"","SMILES":"O=C1c2ccccc2C(=O)c2c(Cl)cccc21"}
{"CAS":"82-45-1","Substance Name":"","SMILES":"Nc1cccc2c1C(=O)c1ccccc1C2=O"}
{"CAS":"82-48-4","Substance Name":"","SMILES":"O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2c1cccc2S(=O)(=O)O"}
{"CAS":"82-57-5","Substance Name":"","SMILES":"COc1c2ccoc2cc2oc(C)cc(=O)c12"}
{"CAS":"82-62-2","Substance Name":"","SMILES":"O=[N+]([O-])c1c(O)c(Cl)cc(Cl)c1Cl"}
{"CAS":"82-66-6","Substance Name":"","SMILES":"O=C1C(=C(O)C(c2ccccc2)c2ccccc2)C(=O)c2ccccc21"}
{"CAS":"82-68-8","Substance Name":"","SMILES":"O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"}
{"CAS":"82-82-6","Substance Name":"","SMILES":"Cc1ncc(CO)c(C(=O)O)c1O"}
{"CAS":"82-86-0","Substance Name":"","SMILES":"O=c1c(=O)c2cccc3cccc1c32"}
{"CAS":"82-89-3","Substance Name":"","SMILES":"C=c1[nH]/c(=C/c2[nH]c(-c3ccc[nH]3)cc2OC)cc1CCCCC"}
{"CAS":"82-98-4","Substance Name":"","SMILES":"CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1"}
{"CAS":"83-05-6","Substance Name":"","SMILES":"O=C(O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1"}
{"CAS":"83-07-8","Substance Name":"","SMILES":"Cc1c(N)c(=O)n(-c2ccccc2)n1C"}
{"CAS":"83-12-5","Substance Name":"","SMILES":"O=C1c2ccccc2C(=O)C1c1ccccc1"}
{"CAS":"83-26-1","Substance Name":"","SMILES":"CC(C)(C)C(O)=C1C(=O)c2ccccc2C1=O"}
{"CAS":"83-29-4","Substance Name":"","SMILES":"CCCC(C)C1C(=O)NC(=O)NC1=O"}
{"CAS":"83-30-7","Substance Name":"","SMILES":"O=C(O)c1c(O)cc(O)cc1O"}
{"CAS":"83-32-9","Substance Name":"Acenaphthylene, 1,2-dihydro-","Registry Name":"Acenaphthene","SMILES":"c1cc2c3c(cccc3c1)CC2"}
{"CAS":"83-34-1","Substance Name":"","SMILES":"Cc1c[nH]c2ccccc12"}
{"CAS":"83-40-9","Substance Name":"","SMILES":"Cc1cccc(C(=O)O)c1O"}
{"CAS":"83-42-1","Substance Name":"","SMILES":"Cc1c(Cl)cccc1[N+](=O)[O-]"}
{"CAS":"83-43-2","Substance Name":"","SMILES":"CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12"}
{"CAS":"83-59-0","Substance Name":"","SMILES":"CCCOC(=O)C1c2cc3c(cc2CC(C)C1C(=O)OCCC)OCO3"}
{"CAS":"83-64-7","Substance Name":"","SMILES":"Nc1ccc(S(=O)(=O)O)c2cccc(O)c12"}
{"CAS":"83-66-9","Substance Name":"","SMILES":"COc1c(C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]"}
{"CAS":"83-70-5","Substance Name":"","SMILES":"Cc1cc(N)c2ccccc2c1O"}
{"CAS":"83-73-8","Substance Name":"","SMILES":"Oc1c(I)cc(I)c2cccnc12"}
{"CAS":"83-74-9","Substance Name":"","SMILES":"CCC1CC2CC3c4[nH]c5ccc(OC)cc5c4CCN(C2)C13"}
{"CAS":"83-79-4","Substance Name":"","SMILES":"C=C(C)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1"}
{"CAS":"83-81-8","Substance Name":"","SMILES":"CCN(CC)C(=O)c1ccccc1C(=O)N(CC)CC"}
{"CAS":"83-88-5","Substance Name":"","SMILES":"Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C"}
{"CAS":"83-93-2","Substance Name":"","SMILES":"O=C(O)c1c2c(nc3ccccc13)-c1ccccc1CC2"}
{"CAS":"84-01-5","Substance Name":"","SMILES":"CCN(CC)CCCN1c2ccccc2Sc2ccc(Cl)cc21"}
{"CAS":"84-04-8","Substance Name":"","SMILES":"NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1"}
{"CAS":"84-12-8","Substance Name":"","SMILES":"O=C1C(=O)c2ncccc2-c2cccnc21"}
{"CAS":"84-16-2","Substance Name":"","SMILES":"CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1"}
{"CAS":"84-22-0","Substance Name":"","SMILES":"c1ccc2c(c1)CCCC2C1=NCCN1"}
{"CAS":"84-36-6","Substance Name":"","SMILES":"CCOC(=O)Oc1c(OC)cc(C(=O)OC2CC3CN4CCc5c([nH]c6cc(OC)ccc56)C4CC3C(C(=O)OC)C2OC)cc1OC"}
{"CAS":"84-39-9","Substance Name":"","SMILES":"c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2"}
{"CAS":"84-42-4","Substance Name":"","SMILES":"CC(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O"}
{"CAS":"84-46-8","Substance Name":"","SMILES":"Nc1cc(Cl)cc2c1C(=O)c1ccccc1C2=O"}
{"CAS":"84-51-5","Substance Name":"","SMILES":"CCc1ccc2c(c1)C(=O)c1ccccc1C2=O"}
{"CAS":"84-58-2","Substance Name":"","SMILES":"N#CC1=C(C#N)C(=O)C(Cl)=C(Cl)C1=O"}
{"CAS":"84-59-3","Substance Name":"","SMILES":"Oc1c(Br)ccc2c(O)c(Br)ccc12"}
{"CAS":"84-60-6","Substance Name":"","SMILES":"O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21"}
{"CAS":"84-62-8","Substance Name":"","SMILES":"O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1"}
{"CAS":"84-65-1","Substance Name":"","SMILES":"O=C1c2ccccc2C(=O)c2ccccc21"}
{"CAS":"84-66-2","Substance Name":"1,2-Benzenedicarboxylic acid, 1,2-diethyl ester","Registry Name":"Diethyl phthalate","SMILES":"CCOC(=O)c1ccccc1C(=O)OCC"}
{"CAS":"84-69-5","Substance Name":"","SMILES":"CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C"}
{"CAS":"84-72-0","Substance Name":"","SMILES":"CCOC(=O)COC(=O)c1ccccc1C(=O)OCC"}
{"CAS":"84-74-2","Substance Name":"1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester","Registry Name":"Dibutyl phthalate","SMILES":"CCCCOC(=O)c1ccccc1C(=O)OCCCC"}
{"CAS":"84-75-3","Substance Name":"","SMILES":"CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC"}
{"CAS":"84-76-4","Substance Name":"","SMILES":"CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC"}
{"CAS":"84-79-7","Substance Name":"","SMILES":"CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O"}
{"CAS":"84-82-2","Substance Name":"","SMILES":"Cn1ncnc2c(=O)n(C)c(=O)nc1-2"}
{"CAS":"84-83-3","Substance Name":"","SMILES":"CN1C(=CC=O)C(C)(C)c2ccccc21"}
{"CAS":"84-86-6","Substance Name":"","SMILES":"Nc1ccc(S(=O)(=O)O)c2ccccc12"}
{"CAS":"84-88-8","Substance Name":"","SMILES":"O=S(=O)(O)c1ccc(O)c2ncccc12"}
{"CAS":"84-89-9","Substance Name":"","SMILES":"Nc1cccc2c(S(=O)(=O)O)cccc12"}
{"CAS":"84-96-8","Substance Name":"","SMILES":"CC(CN(C)C)CN1c2ccccc2Sc2ccccc21"}
{"CAS":"84-97-9","Substance Name":"","SMILES":"CN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1"}
{"CAS":"85-01-8","Substance Name":"Phenanthrene","Registry Name":"Phenanthrene","SMILES":"c1ccc2c(c1)ccc1ccccc12"}
{"CAS":"85-10-9","Substance Name":"","SMILES":"CCN(CC)CCCC(C)Nc1c(C)cnc2cc(Cl)ccc12"}
{"CAS":"85-18-7","Substance Name":"","SMILES":"Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O"}
{"CAS":"85-22-3","Substance Name":"","SMILES":"CCc1c(Br)c(Br)c(Br)c(Br)c1Br"}
{"CAS":"85-24-5","Substance Name":"","SMILES":"CCCCCCCCOc1ccc(C(=O)c2ccccc2O)c(O)c1"}
{"CAS":"85-31-4","Substance Name":"","SMILES":"Nc1nc(=S)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1"}
{"CAS":"85-34-7","Substance Name":"","SMILES":"O=C(O)Cc1c(Cl)ccc(Cl)c1Cl"}
{"CAS":"85-41-6","Substance Name":"","SMILES":"O=C1NC(=O)c2ccccc21"}
{"CAS":"85-43-8","Substance Name":"","SMILES":"O=C1OC(=O)C2CC=CCC12"}
{"CAS":"85-44-9","Substance Name":"","SMILES":"O=C1OC(=O)c2ccccc21"}
{"CAS":"85-52-9","Substance Name":"","SMILES":"O=C(O)c1ccccc1C(=O)c1ccccc1"}
{"CAS":"85-57-4","Substance Name":"","SMILES":"O=C(O)c1ccccc1C(=O)c1ccc(O)cc1"}
{"CAS":"85-68-7","Substance Name":"1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester","Registry Name":"Butyl benzyl phthalate","SMILES":"CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1"}
{"CAS":"85-70-1","Substance Name":"","SMILES":"CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC"}
{"CAS":"85-71-2","Substance Name":"","SMILES":"CCOC(=O)COC(=O)c1ccccc1C(=O)OC"}
{"CAS":"85-72-3","Substance Name":"","SMILES":"Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1"}
{"CAS":"85-73-4","Substance Name":"","SMILES":"O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1"}
{"CAS":"85-91-6","Substance Name":"","SMILES":"CNc1ccccc1C(=O)OC"}
{"CAS":"85-98-3","Substance Name":"","SMILES":"CCN(C(=O)N(CC)c1ccccc1)c1ccccc1"}
{"CAS":"85-99-4","Substance Name":"","SMILES":"CC(=O)Nc1ccccc1C(=O)c1ccccc1"}
{"CAS":"86-00-0","Substance Name":"","SMILES":"O=[N+]([O-])c1ccccc1-c1ccccc1"}
{"CAS":"86-04-4","Substance Name":"","SMILES":"O=c1nc[nH]c2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O"}
{"CAS":"86-12-4","Substance Name":"","SMILES":"CN1CCC(N(Cc2cccs2)c2ccccc2)CC1"}
{"CAS":"86-13-5","Substance Name":"","SMILES":"CN1C2CCC1CC(OC(c1ccccc1)c1ccccc1)C2"}
{"CAS":"86-14-6","Substance Name":"","SMILES":"CCN(CC)C(C)C=C(c1cccs1)c1cccs1"}
{"CAS":"86-24-8","Substance Name":"","SMILES":"CCN(CC)CCOC(c1ccccc1)c1ccccc1"}
{"CAS":"86-26-0","Substance Name":"","SMILES":"COc1ccccc1-c1ccccc1"}
{"CAS":"86-29-3","Substance Name":"","SMILES":"N#CC(c1ccccc1)c1ccccc1"}
{"CAS":"86-30-6","Substance Name":"Benzenamine, N-nitroso-N-phenyl-","Registry Name":"N-Nitrosodiphenylamine","SMILES":"O=NN(c1ccccc1)c1ccccc1"}
{"CAS":"86-34-0","Substance Name":"","SMILES":"CN1C(=O)CC(c2ccccc2)C1=O"}
{"CAS":"86-35-1","Substance Name":"","SMILES":"CCN1C(=O)NC(c2ccccc2)C1=O"}
{"CAS":"86-40-8","Substance Name":"","SMILES":"C[n+]1c2cc(N)ccc2cc2ccc(N)cc21"}
{"CAS":"86-42-0","Substance Name":"","SMILES":"CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O"}
{"CAS":"86-47-5","Substance Name":"","SMILES":"O=C(O)c1c[nH]c2cc(Cl)ccc2c1=O"}
{"CAS":"86-50-0","Substance Name":"","SMILES":"COP(=S)(OC)SCn1nnc2ccccc2c1=O"}
{"CAS":"86-52-2","Substance Name":"","SMILES":"ClCc1cccc2ccccc12"}
{"CAS":"86-54-4","Substance Name":"","SMILES":"NNc1nncc2ccccc12"}
{"CAS":"86-56-6","Substance Name":"","SMILES":"CN(C)c1cccc2ccccc12"}
{"CAS":"86-73-7","Substance Name":"9H-Fluorene","Registry Name":"Fluorene","SMILES":"c1ccc2c(c1)Cc1ccccc1-2"}
{"CAS":"86-74-8","Substance Name":"9H-Carbazole","Registry Name":"Carbazole","SMILES":"c1ccc2c(c1)[nH]c1ccccc12"}
{"CAS":"86-80-6","Substance Name":"","SMILES":"CCCCc1cc2ccccc2c(OCCN(C)C)n1"}
{"CAS":"86-81-7","Substance Name":"","SMILES":"COc1cc(C=O)cc(OC)c1OC"}
{"CAS":"86-86-2","Substance Name":"","SMILES":"NC(=O)Cc1cccc2ccccc12"}
{"CAS":"86-87-3","Substance Name":"","SMILES":"O=C(O)Cc1cccc2ccccc12"}
{"CAS":"86-88-4","Substance Name":"","SMILES":"NC(=S)Nc1cccc2ccccc12"}
{"CAS":"86-92-0","Substance Name":"","SMILES":"Cc1ccc(-n2[nH]c(C)cc2=O)cc1"}
{"CAS":"86-93-1","Substance Name":"","SMILES":"S=c1[nH]nnn1-c1ccccc1"}
{"CAS":"86-96-4","Substance Name":"","SMILES":"O=c1[nH]c(=O)c2ccccc2[nH]1"}
{"CAS":"86-97-5","Substance Name":"","SMILES":"Nc1cccc2cc(O)ccc12"}
{"CAS":"87-00-3","Substance Name":"","SMILES":"CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2"}
{"CAS":"87-01-4","Substance Name":"","SMILES":"Cc1cc(=O)oc2cc(N(C)C)ccc12"}
{"CAS":"87-02-5","Substance Name":"","SMILES":"Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1"}
{"CAS":"87-08-1","Substance Name":"","SMILES":"CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O"}
{"CAS":"87-11-6","Substance Name":"","SMILES":"CC(=O)NC1C(=O)N(C)C2CSSC12"}
{"CAS":"87-12-7","Substance Name":"","SMILES":"O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1O"}
{"CAS":"87-13-8","Substance Name":"","SMILES":"CCOC=C(C(=O)OCC)C(=O)OCC"}
{"CAS":"87-17-2","Substance Name":"","SMILES":"O=C(Nc1ccccc1)c1ccccc1O"}
{"CAS":"87-18-3","Substance Name":"","SMILES":"CC(C)(C)c1ccc(OC(=O)c2ccccc2O)cc1"}
{"CAS":"87-19-4","Substance Name":"","SMILES":"CC(C)COC(=O)c1ccccc1O"}
{"CAS":"87-20-7","Substance Name":"","SMILES":"CC(C)CCOC(=O)c1ccccc1O"}
{"CAS":"87-25-2","Substance Name":"","SMILES":"CCOC(=O)c1ccccc1N"}
{"CAS":"87-29-6","Substance Name":"","SMILES":"Nc1ccccc1C(=O)OCC=Cc1ccccc1"}
{"CAS":"87-33-2","Substance Name":"","SMILES":"O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12"}
{"CAS":"87-39-8","Substance Name":"","SMILES":"O=C1NC(=O)C(=NO)C(=O)N1"}
{"CAS":"87-42-3","Substance Name":"","SMILES":"Clc1ncnc2nc[nH]c12"}
{"CAS":"87-47-8","Substance Name":"","SMILES":"Cc1cc(OC(=O)N(C)C)n(-c2ccccc2)n1"}
{"CAS":"87-48-9","Substance Name":"","SMILES":"O=C1Nc2ccc(Br)cc2C1=O"}
{"CAS":"87-51-4","Substance Name":"","SMILES":"O=C(O)Cc1c[nH]c2ccccc12"}
{"CAS":"87-52-5","Substance Name":"","SMILES":"CN(C)Cc1c[nH]c2ccccc12"}
{"CAS":"87-54-7","Substance Name":"","SMILES":"NCCN1C(=O)CNC1=S"}
{"CAS":"87-56-9","Substance Name":"","SMILES":"O=CC(Cl)=C(Cl)C(=O)O"}
{"CAS":"87-59-2","Substance Name":"","SMILES":"Cc1cccc(N)c1C"}
{"CAS":"87-60-5","Substance Name":"","SMILES":"Cc1c(N)cccc1Cl"}
{"CAS":"87-61-6","Substance Name":"Benzene, 1,2,3-trichloro-","Registry Name":"1,2,3-Trichlorobenzene","SMILES":"Clc1cccc(Cl)c1Cl"}
{"CAS":"87-62-7","Substance Name":"","SMILES":"Cc1cccc(C)c1N"}
{"CAS":"87-64-9","Substance Name":"","SMILES":"Cc1cccc(Cl)c1O"}
{"CAS":"87-65-0","Substance Name":"","SMILES":"Oc1c(Cl)cccc1Cl"}
{"CAS":"87-66-1","Substance Name":"","SMILES":"Oc1cccc(O)c1O"}
{"CAS":"87-68-3","Substance Name":"1,3-Butadiene, 1,1,2,3,4,4-hexachloro-","Registry Name":"Hexachlorobutadiene","SMILES":"ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl"}
{"CAS":"87-69-4","Substance Name":"","SMILES":"O=C(O)C(O)C(O)C(=O)O"}
{"CAS":"87-79-6","Substance Name":"","SMILES":"O=C(CO)C(O)C(O)C(O)CO"}
{"CAS":"87-84-3","Substance Name":"","SMILES":"ClC1C(Br)C(Br)C(Br)C(Br)C1Br"}
{"CAS":"87-86-5","Substance Name":"Phenol, 2,3,4,5,6-pentachloro-","Registry Name":"Pentachlorophenol","SMILES":"Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"}
{"CAS":"87-87-6","Substance Name":"","SMILES":"Oc1c(Cl)c(Cl)c(O)c(Cl)c1Cl"}
{"CAS":"87-89-8","Substance Name":"","SMILES":"OC1C(O)C(O)C(O)C(O)C1O"}
{"CAS":"87-90-1","Substance Name":"","SMILES":"O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl"}
{"CAS":"87-97-8","Substance Name":"","SMILES":"COCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"}
{"CAS":"87-99-0","Substance Name":"","SMILES":"OCC(O)C(O)C(O)CO"}
{"CAS":"88-04-0","Substance Name":"","SMILES":"Cc1cc(O)cc(C)c1Cl"}
{"CAS":"88-05-1","Substance Name":"","SMILES":"Cc1cc(C)c(N)c(C)c1"}
{"CAS":"88-06-2","Substance Name":"Phenol, 2,4,6-trichloro-","Registry Name":"2,4,6-Trichlorophenol","SMILES":"Oc1c(Cl)cc(Cl)cc1Cl"}
{"CAS":"88-09-5","Substance Name":"","SMILES":"CCC(CC)C(=O)O"}
{"CAS":"88-10-8","Substance Name":"","SMILES":"CCN(CC)C(=O)Cl"}
{"CAS":"88-12-0","Substance Name":"","SMILES":"C=CN1CCCC1=O"}
{"CAS":"88-13-1","Substance Name":"","SMILES":"O=C(O)c1ccsc1"}
{"CAS":"88-14-2","Substance Name":"","SMILES":"O=C(O)c1ccco1"}
{"CAS":"88-15-3","Substance Name":"","SMILES":"CC(=O)c1cccs1"}
{"CAS":"88-18-6","Substance Name":"","SMILES":"CC(C)(C)c1ccccc1O"}
{"CAS":"88-19-7","Substance Name":"","SMILES":"Cc1ccccc1S(N)(=O)=O"}
{"CAS":"88-24-4","Substance Name":"","SMILES":"CCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1"}
{"CAS":"88-27-7","Substance Name":"","SMILES":"CN(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"}
{"CAS":"88-29-9","Substance Name":"","SMILES":"CCc1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C"}
{"CAS":"88-30-2","Substance Name":"","SMILES":"O=[N+]([O-])c1ccc(O)cc1C(F)(F)F"}
{"CAS":"88-36-8","Substance Name":"","SMILES":"C/C(CC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1)=N\\Nc1nncc2ccccc12"}
{"CAS":"88-41-5","Substance Name":"","SMILES":"CC(=O)OC1CCCCC1C(C)(C)C"}
{"CAS":"88-44-8","Substance Name":"","SMILES":"Cc1ccc(N)c(S(=O)(=O)O)c1"}
{"CAS":"88-51-7","Substance Name":"","SMILES":"Cc1cc(S(=O)(=O)O)c(N)cc1Cl"}
{"CAS":"88-58-4","Substance Name":"","SMILES":"CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O"}
{"CAS":"88-60-8","Substance Name":"","SMILES":"Cc1ccc(C(C)(C)C)c(O)c1"}
{"CAS":"88-62-0","Substance Name":"","SMILES":"Cc1ccc(S(=O)(=O)O)c(N)c1"}
{"CAS":"88-64-2","Substance Name":"","SMILES":"CC(=O)Nc1ccc(S(=O)(=O)O)c(N)c1"}
{"CAS":"88-68-6","Substance Name":"","SMILES":"NC(=O)c1ccccc1N"}
{"CAS":"88-69-7","Substance Name":"","SMILES":"CC(C)c1ccccc1O"}
{"CAS":"88-72-2","Substance Name":"","SMILES":"Cc1ccccc1[N+](=O)[O-]"}
{"CAS":"88-73-3","Substance Name":"","SMILES":"O=[N+]([O-])c1ccccc1Cl"}
{"CAS":"88-74-4","Substance Name":"Benzenamine, 2-nitro-","Registry Name":"o-Nitroaniline","SMILES":"Nc1ccccc1[N+](=O)[O-]"}
{"CAS":"88-75-5","Substance Name":"Phenol, 2-nitro-","Registry Name":"o-Nitrophenol","SMILES":"O=[N+]([O-])c1ccccc1O"}
{"CAS":"88-84-6","Substance Name":"","SMILES":"CC(C)=C1CCC(C)C2=C(C1)C(C)CC2"}
{"CAS":"88-85-7","Substance Name":"Phenol, 2-(1-methylpropyl)-4,6-dinitro-","Registry Name":"Dinoseb","SMILES":"CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O"}
{"CAS":"88-86-8","Substance Name":"","SMILES":"O=C(O)c1cc(Cl)cc([N+](=O)[O-])c1Cl"}
{"CAS":"88-89-1","Substance Name":"Phenol, 2,4,6-trinitro-","Registry Name":"Picric acid","SMILES":"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1"}
{"CAS":"88-96-0","Substance Name":"","SMILES":"NC(=O)c1ccccc1C(N)=O"}
{"CAS":"89-02-1","Substance Name":"","SMILES":"O=[N+]([O-])c1ccc(S(=O)(=O)O)c([N+](=O)[O-])c1"}
{"CAS":"89-05-4","Substance Name":"","SMILES":"O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O"}
{"CAS":"89-25-8","Substance Name":"","SMILES":"Cc1cc(=O)n(-c2ccccc2)[nH]1"}
{"CAS":"89-32-7","Substance Name":"","SMILES":"O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12"}
{"CAS":"89-37-2","Substance Name":"","SMILES":"CN(C)C(=S)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]"}
{"CAS":"89-52-1","Substance Name":"","SMILES":"CC(=O)Nc1ccccc1C(=O)O"}
{"CAS":"89-55-4","Substance Name":"","SMILES":"O=C(O)c1cc(Br)ccc1O"}
{"CAS":"89-56-5","Substance Name":"","SMILES":"Cc1ccc(O)c(C(=O)O)c1"}
{"CAS":"89-57-6","Substance Name":"","SMILES":"Nc1ccc(O)c(C(=O)O)c1"}
{"CAS":"89-58-7","Substance Name":"","SMILES":"Cc1ccc(C)c([N+](=O)[O-])c1"}
{"CAS":"89-61-2","Substance Name":"","SMILES":"O=[N+]([O-])c1cc(Cl)ccc1Cl"}
{"CAS":"89-63-4","Substance Name":"","SMILES":"Nc1ccc(Cl)cc1[N+](=O)[O-]"}
{"CAS":"89-68-9","Substance Name":"","SMILES":"Cc1cc(O)c(C(C)C)cc1Cl"}
{"CAS":"89-69-0","Substance Name":"","SMILES":"O=[N+]([O-])c1cc(Cl)c(Cl)cc1Cl"}
{"CAS":"89-72-5","Substance Name":"","SMILES":"CCC(C)c1ccccc1O"}
{"CAS":"89-73-6","Substance Name":"","SMILES":"O=C(NO)c1ccccc1O"}
{"CAS":"89-75-8","Substance Name":"","SMILES":"O=C(Cl)c1ccc(Cl)cc1Cl"}
{"CAS":"89-77-0","Substance Name":"","SMILES":"Nc1cc(Cl)ccc1C(=O)O"}
{"CAS":"89-80-5","Substance Name":"","SMILES":"CC1CCC(C(C)C)C(=O)C1"}
{"CAS":"89-81-6","Substance Name":"","SMILES":"CC1=CC(=O)C(C(C)C)CC1"}
{"CAS":"89-83-8","Substance Name":"","SMILES":"Cc1ccc(C(C)C)c(O)c1"}
{"CAS":"89-84-9","Substance Name":"","SMILES":"CC(=O)c1ccc(O)cc1O"}
{"CAS":"89-98-5","Substance Name":"","SMILES":"O=Cc1ccccc1Cl"}
{"CAS":"90-00-6","Substance Name":"","SMILES":"CCc1ccccc1O"}
{"CAS":"90-02-8","Substance Name":"","SMILES":"O=Cc1ccccc1O"}
{"CAS":"90-03-9","Substance Name":"","SMILES":"Oc1ccccc1[Hg]Cl"}
{"CAS":"90-04-0","Substance Name":"","SMILES":"COc1ccccc1N"}
{"CAS":"90-05-1","Substance Name":"","SMILES":"COc1ccccc1O"}
{"CAS":"90-09-5","Substance Name":"","SMILES":"O=P(O)(C(O)c1ccccc1)C(O)c1ccccc1"}
{"CAS":"90-11-9","Substance Name":"","SMILES":"Brc1cccc2ccccc12"}
{"CAS":"90-12-0","Substance Name":"Naphthalene, 1-methyl-","Registry Name":"1-Methylnaphthalene","SMILES":"Cc1cccc2ccccc12"}
{"CAS":"90-13-1","Substance Name":"","SMILES":"Clc1cccc2ccccc12"}
{"CAS":"90-15-3","Substance Name":"","SMILES":"Oc1cccc2ccccc12"}
{"CAS":"90-16-4","Substance Name":"","SMILES":"O=c1nn[nH]c2ccccc12"}
{"CAS":"90-17-5","Substance Name":"","SMILES":"CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl"}
{"CAS":"90-22-2","Substance Name":"","SMILES":"CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1"}
{"CAS":"90-26-6","Substance Name":"","SMILES":"CCC(C(N)=O)c1ccccc1"}
{"CAS":"90-27-7","Substance Name":"","SMILES":"CCC(C(=O)O)c1ccccc1"}
{"CAS":"90-30-2","Substance Name":"","SMILES":"c1ccc(Nc2cccc3ccccc23)cc1"}
{"CAS":"90-39-1","Substance Name":"","SMILES":"C1CCN2CC3CC(CN4CCCCC34)C2C1"}
{"CAS":"90-41-5","Substance Name":"","SMILES":"Nc1ccccc1-c1ccccc1"}
{"CAS":"90-42-6","Substance Name":"","SMILES":"O=C1CCCCC1C1CCCCC1"}
{"CAS":"90-43-7","Substance Name":"","SMILES":"Oc1ccccc1-c1ccccc1"}
{"CAS":"90-45-9","Substance Name":"","SMILES":"Nc1c2ccccc2nc2ccccc12"}
{"CAS":"90-47-1","Substance Name":"","SMILES":"O=c1c2ccccc2oc2ccccc12"}
{"CAS":"90-49-3","Substance Name":"","SMILES":"CCC(C(=O)NC(N)=O)c1ccccc1"}
{"CAS":"90-50-6","Substance Name":"","SMILES":"COc1cc(C=CC(=O)O)cc(OC)c1OC"}
{"CAS":"90-52-8","Substance Name":"","SMILES":"COc1cc(N)c2ncccc2c1"}
{"CAS":"90-59-5","Substance Name":"","SMILES":"O=Cc1cc(Br)cc(Br)c1O"}
{"CAS":"90-64-2","Substance Name":"","SMILES":"O=C(O)C(O)c1ccccc1"}
{"CAS":"90-69-7","Substance Name":"","SMILES":"CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1"}
{"CAS":"90-72-2","Substance Name":"","SMILES":"CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1"}
{"CAS":"90-87-9","Substance Name":"","SMILES":"COC(OC)C(C)c1ccccc1"}
{"CAS":"90-90-4","Substance Name":"","SMILES":"O=C(c1ccccc1)c1ccc(Br)cc1"}
{"CAS":"90-94-8","Substance Name":"","SMILES":"CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1"}
{"CAS":"90-98-2","Substance Name":"","SMILES":"O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1"}
{"CAS":"91-00-9","Substance Name":"","SMILES":"NC(c1ccccc1)c1ccccc1"}
{"CAS":"91-01-0","Substance Name":"","SMILES":"OC(c1ccccc1)c1ccccc1"}
{"CAS":"91-02-1","Substance Name":"","SMILES":"O=C(c1ccccc1)c1ccccn1"}
{"CAS":"91-08-7","Substance Name":"","SMILES":"Cc1c(N=C=O)cccc1N=C=O"}
{"CAS":"91-10-1","Substance Name":"","SMILES":"COc1cccc(OC)c1O"}
{"CAS":"91-15-6","Substance Name":"","SMILES":"N#Cc1ccccc1C#N"}
{"CAS":"91-16-7","Substance Name":"","SMILES":"COc1ccccc1OC"}
{"CAS":"91-17-8","Substance Name":"","SMILES":"C1CCC2CCCCC2C1"}
{"CAS":"91-19-0","Substance Name":"","SMILES":"c1ccc2nccnc2c1"}
{"CAS":"91-20-3","Substance Name":"Naphthalene","Registry Name":"Naphthalene","SMILES":"c1ccc2ccccc2c1"}
{"CAS":"91-22-5","Substance Name":"","SMILES":"c1ccc2ncccc2c1"}
{"CAS":"91-23-6","Substance Name":"","SMILES":"COc1ccccc1[N+](=O)[O-]"}
{"CAS":"91-33-8","Substance Name":"","SMILES":"NS(=O)(=O)c1cc2c(cc1Cl)NC(=CSCc1ccccc1)NS2(=O)=O"}
{"CAS":"91-38-3","Substance Name":"","SMILES":"COc1ccc(Nc2cc(Cl)ccc2C(=O)O)cc1"}
{"CAS":"91-40-7","Substance Name":"","SMILES":"O=C(O)c1ccccc1Nc1ccccc1"}
{"CAS":"91-44-1","Substance Name":"","SMILES":"CCN(CC)c1ccc2c(C)cc(=O)oc2c1"}
{"CAS":"91-46-3","Substance Name":"","SMILES":"Cc1ccc(C(C)C)c(OCCN(C)C)c1"}
{"CAS":"91-49-6","Substance Name":"","SMILES":"CCCCN(C(C)=O)c1ccccc1"}
{"CAS":"91-51-0","Substance Name":"","SMILES":"COC(=O)c1ccccc1/N=C/C(C)Cc1ccc(C(C)(C)C)cc1"}
{"CAS":"91-53-2","Substance Name":"","SMILES":"CCOc1ccc2c(c1)C(C)=CC(C)(C)N2"}
{"CAS":"91-56-5","Substance Name":"","SMILES":"O=C1Nc2ccccc2C1=O"}
{"CAS":"91-57-6","Substance Name":"Naphthalene, 2-methyl-","Registry Name":"2-Methylnaphthalene","SMILES":"Cc1ccc2ccccc2c1"}
{"CAS":"91-58-7","Substance Name":"","SMILES":"Clc1ccc2ccccc2c1"}
{"CAS":"91-59-8","Substance Name":"","SMILES":"Nc1ccc2ccccc2c1"}
{"CAS":"91-60-1","Substance Name":"","SMILES":"Sc1ccc2ccccc2c1"}
{"CAS":"91-62-3","Substance Name":"","SMILES":"Cc1ccc2ncccc2c1"}
{"CAS":"91-63-4","Substance Name":"","SMILES":"Cc1ccc2ccccc2n1"}
{"CAS":"91-64-5","Substance Name":"","SMILES":"O=c1ccc2ccccc2o1"}
{"CAS":"91-66-7","Substance Name":"","SMILES":"CCN(CC)c1ccccc1"}
{"CAS":"91-71-4","Substance Name":"","SMILES":"NC(=O)Nc1ccc([As](Sc2ccccc2C(=O)O)Sc2ccccc2C(=O)O)cc1"}
{"CAS":"91-76-9","Substance Name":"","SMILES":"Nc1nc(N)nc(-c2ccccc2)n1"}
{"CAS":"91-80-5","Substance Name":"","SMILES":"CN(C)CCN(Cc1cccs1)c1ccccn1"}
{"CAS":"91-87-2","Substance Name":"","SMILES":"CCCCCC(=Cc1ccccc1)C(OC)OC"}
{"CAS":"91-88-3","Substance Name":"","SMILES":"CCN(CCO)c1cccc(C)c1"}
{"CAS":"91-93-0","Substance Name":"","SMILES":"COc1cc(-c2ccc(N=C=O)c(OC)c2)ccc1N=C=O"}
{"CAS":"91-97-4","Substance Name":"","SMILES":"Cc1cc(-c2ccc(N=C=O)c(C)c2)ccc1N=C=O"}
{"CAS":"91-99-6","Substance Name":"","SMILES":"Cc1cccc(N(CCO)CCO)c1"}
{"CAS":"92-00-2","Substance Name":"","SMILES":"OCCN(CCO)c1cccc(Cl)c1"}
{"CAS":"92-08-0","Substance Name":"","SMILES":"O=C(c1ccccc1)C(O)Cc1ccccc1"}
{"CAS":"92-09-1","Substance Name":"","SMILES":"CCN(CCNS(C)(=O)=O)c1ccc(N)c(C)c1"}
{"CAS":"92-12-6","Substance Name":"","SMILES":"CN(C)CCOc1ccccc1Cc1ccccc1"}
{"CAS":"92-15-9","Substance Name":"","SMILES":"COc1ccccc1NC(=O)CC(C)=O"}
{"CAS":"92-16-0","Substance Name":"","SMILES":"COc1ccccc1NC(=O)CC(=O)c1ccccc1"}
{"CAS":"92-25-1","Substance Name":"","SMILES":"Cc1cc2nc3ccc(O)cc3nc2cc1N"}
{"CAS":"92-26-2","Substance Name":"","SMILES":"Cc1cc2cc3cc(C)c(N)cc3nc2cc1N"}
{"CAS":"92-30-8","Substance Name":"","SMILES":"FC(F)(F)c1ccc2c(c1)Nc1ccccc1S2"}
{"CAS":"92-31-9","Substance Name":"","SMILES":"Cc1cc2nc3ccc(=[N+](C)C)cc-3sc2cc1N"}
{"CAS":"92-39-7","Substance Name":"","SMILES":"Clc1ccc2c(c1)Nc1ccccc1S2"}
{"CAS":"92-43-3","Substance Name":"","SMILES":"O=C1CCN(c2ccccc2)N1"}
{"CAS":"92-44-4","Substance Name":"","SMILES":"Oc1cc2ccccc2cc1O"}
{"CAS":"92-48-8","Substance Name":"","SMILES":"Cc1ccc2oc(=O)ccc2c1"}
{"CAS":"92-49-9","Substance Name":"","SMILES":"CCN(CCCl)c1ccccc1"}
{"CAS":"92-50-2","Substance Name":"","SMILES":"CCN(CCO)c1ccccc1"}
{"CAS":"92-52-4","Substance Name":"1,1'-Biphenyl","Registry Name":"Biphenyl","SMILES":"c1ccc(-c2ccccc2)cc1"}
{"CAS":"92-53-5","Substance Name":"","SMILES":"c1ccc(N2CCOCC2)cc1"}
{"CAS":"92-54-6","Substance Name":"","SMILES":"c1ccc(N2CCNCC2)cc1"}
{"CAS":"92-61-5","Substance Name":"","SMILES":"COc1cc2ccc(=O)oc2cc1O"}
{"CAS":"92-62-6","Substance Name":"","SMILES":"Nc1ccc2cc3ccc(N)cc3nc2c1"}
{"CAS":"92-64-8","Substance Name":"","SMILES":"N#CCCN(CCO)c1ccccc1"}
{"CAS":"92-67-1","Substance Name":"","SMILES":"Nc1ccc(-c2ccccc2)cc1"}
{"CAS":"92-69-3","Substance Name":"","SMILES":"Oc1ccc(-c2ccccc2)cc1"}
{"CAS":"92-70-6","Substance Name":"","SMILES":"O=C(O)c1cc2ccccc2cc1O"}
{"CAS":"92-71-7","Substance Name":"","SMILES":"c1ccc(-c2cnc(-c3ccccc3)o2)cc1"}
{"CAS":"92-81-9","Substance Name":"","SMILES":"c1ccc2c(c1)Cc1ccccc1N2"}
{"CAS":"92-82-0","Substance Name":"","SMILES":"c1ccc2nc3ccccc3nc2c1"}
{"CAS":"92-83-1","Substance Name":"","SMILES":"c1ccc2c(c1)Cc1ccccc1O2"}
{"CAS":"92-84-2","Substance Name":"","SMILES":"c1ccc2c(c1)Nc1ccccc1S2"}
{"CAS":"92-87-5","Substance Name":"[1,1'-Biphenyl]-4,4'-diamine","Registry Name":"Benzidine","SMILES":"Nc1ccc(-c2ccc(N)cc2)cc1"}
{"CAS":"92-88-6","Substance Name":"","SMILES":"Oc1ccc(-c2ccc(O)cc2)cc1"}
{"CAS":"92-91-1","Substance Name":"","SMILES":"CC(=O)c1ccc(-c2ccccc2)cc1"}
{"CAS":"92-93-3","Substance Name":"","SMILES":"O=[N+]([O-])c1ccc(-c2ccccc2)cc1"}
{"CAS":"93-02-7","Substance Name":"","SMILES":"COc1ccc(OC)c(C=O)c1"}
{"CAS":"93-04-9","Substance Name":"","SMILES":"COc1ccc2ccccc2c1"}
{"CAS":"93-07-2","Substance Name":"","SMILES":"COc1ccc(C(=O)O)cc1OC"}
{"CAS":"93-08-3","Substance Name":"","SMILES":"CC(=O)c1ccc2ccccc2c1"}
{"CAS":"93-09-4","Substance Name":"","SMILES":"O=C(O)c1ccc2ccccc2c1"}
{"CAS":"93-10-7","Substance Name":"","SMILES":"O=C(O)c1ccc2ccccc2n1"}
{"CAS":"93-14-1","Substance Name":"","SMILES":"COc1ccccc1OCC(O)CO"}
{"CAS":"93-15-2","Substance Name":"","SMILES":"C=CCc1ccc(OC)c(OC)c1"}
{"CAS":"93-16-3","Substance Name":"","SMILES":"CC=Cc1ccc(OC)c(OC)c1"}
{"CAS":"93-17-4","Substance Name":"","SMILES":"COc1ccc(CC#N)cc1OC"}
{"CAS":"93-18-5","Substance Name":"","SMILES":"CCOc1ccc2ccccc2c1"}
{"CAS":"93-19-6","Substance Name":"","SMILES":"CC(C)Cc1ccc2ccccc2n1"}
{"CAS":"93-23-2","Substance Name":"","SMILES":"CCCCCCCCCCCC[n+]1ccc2ccccc2c1"}
{"CAS":"93-26-5","Substance Name":"","SMILES":"COc1ccccc1NC(C)=O"}
{"CAS":"93-28-7","Substance Name":"","SMILES":"C=CCc1ccc(OC(C)=O)c(OC)c1"}
{"CAS":"93-29-8","Substance Name":"","SMILES":"CC=Cc1ccc(OC(C)=O)c(OC)c1"}
{"CAS":"93-35-6","Substance Name":"","SMILES":"O=c1ccc2ccc(O)cc2o1"}
{"CAS":"93-40-3","Substance Name":"","SMILES":"COc1ccc(CC(=O)O)cc1OC"}
{"CAS":"93-45-8","Substance Name":"","SMILES":"Oc1ccc(Nc2ccc3ccccc3c2)cc1"}
{"CAS":"93-46-9","Substance Name":"","SMILES":"c1ccc2cc(Nc3ccc(Nc4ccc5ccccc5c4)cc3)ccc2c1"}
{"CAS":"93-51-6","Substance Name":"","SMILES":"COc1cc(C)ccc1O"}
{"CAS":"93-53-8","Substance Name":"","SMILES":"CC(C=O)c1ccccc1"}
{"CAS":"93-54-9","Substance Name":"","SMILES":"CCC(O)c1ccccc1"}
{"CAS":"93-55-0","Substance Name":"","SMILES":"CCC(=O)c1ccccc1"}
{"CAS":"93-56-1","Substance Name":"","SMILES":"OCC(O)c1ccccc1"}
{"CAS":"93-58-3","Substance Name":"","SMILES":"COC(=O)c1ccccc1"}
{"CAS":"93-62-9","Substance Name":"","SMILES":"O=C(O)CN(CCO)CC(=O)O"}
{"CAS":"93-68-5","Substance Name":"","SMILES":"CC(=O)CC(=O)Nc1ccccc1C"}
{"CAS":"93-70-9","Substance Name":"","SMILES":"CC(=O)CC(=O)Nc1ccccc1Cl"}
{"CAS":"93-71-0","Substance Name":"","SMILES":"C=CCN(CC=C)C(=O)CCl"}
{"CAS":"93-72-1","Substance Name":"","SMILES":"CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O"}
{"CAS":"93-75-4","Substance Name":"","SMILES":"S=c1sc2nc3ccccc3nc2s1"}
{"CAS":"93-76-5","Substance Name":"Acetic acid, 2-(2,4,5-trichlorophenoxy)-","Registry Name":"2,4,5-T","SMILES":"O=C(O)COc1cc(Cl)c(Cl)cc1Cl"}
{"CAS":"93-78-7","Substance Name":"","SMILES":"CC(C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl"}
{"CAS":"93-83-4","Substance Name":"","SMILES":"CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCO"}
{"CAS":"93-89-0","Substance Name":"","SMILES":"CCOC(=O)c1ccccc1"}
{"CAS":"93-90-3","Substance Name":"","SMILES":"CN(CCO)c1ccccc1"}
{"CAS":"93-92-5","Substance Name":"","SMILES":"CC(=O)OC(C)c1ccccc1"}
{"CAS":"93-96-9","Substance Name":"","SMILES":"CC(OC(C)c1ccccc1)c1ccccc1"}
{"CAS":"93-99-2","Substance Name":"","SMILES":"O=C(Oc1ccccc1)c1ccccc1"}
{"CAS":"94-01-9","Substance Name":"","SMILES":"O=C(Oc1cccc(OC(=O)c2ccccc2)c1)c1ccccc1"}
{"CAS":"94-02-0","Substance Name":"","SMILES":"CCOC(=O)CC(=O)c1ccccc1"}
{"CAS":"94-04-2","Substance Name":"","SMILES":"C=COC(=O)C(CC)CCCC"}
{"CAS":"94-07-5","Substance Name":"","SMILES":"CNCC(O)c1ccc(O)cc1"}
{"CAS":"94-09-7","Substance Name":"","SMILES":"CCOC(=O)c1ccc(N)cc1"}
{"CAS":"94-10-0","Substance Name":"","SMILES":"CCOc1ccc(N=Nc2ccc(N)cc2N)cc1"}
{"CAS":"94-11-1","Substance Name":"","SMILES":"CC(C)OC(=O)COc1ccc(Cl)cc1Cl"}
{"CAS":"94-12-2","Substance Name":"","SMILES":"CCCOC(=O)c1ccc(N)cc1"}
{"CAS":"94-14-4","Substance Name":"","SMILES":"CC(C)COC(=O)c1ccc(N)cc1"}
{"CAS":"94-16-6","Substance Name":"","SMILES":"Nc1ccc(C(=O)NCC(=O)O)cc1"}
{"CAS":"94-19-9","Substance Name":"","SMILES":"CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1"}
{"CAS":"94-20-2","Substance Name":"","SMILES":"CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1"}
{"CAS":"94-25-7","Substance Name":"","SMILES":"CCCCOC(=O)c1ccc(N)cc1"}
{"CAS":"94-26-8","Substance Name":"","SMILES":"CCCCOC(=O)c1ccc(O)cc1"}
{"CAS":"94-28-0","Substance Name":"","SMILES":"CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC"}
{"CAS":"94-30-4","Substance Name":"","SMILES":"CCOC(=O)c1ccc(OC)cc1"}
{"CAS":"94-35-9","Substance Name":"","SMILES":"NC(=O)OCC(O)c1ccccc1"}
{"CAS":"94-36-0","Substance Name":"","SMILES":"O=C(OOC(=O)c1ccccc1)c1ccccc1"}
{"CAS":"94-37-1","Substance Name":"","SMILES":"S=C(SSC(=S)N1CCCCC1)N1CCCCC1"}
{"CAS":"94-41-7","Substance Name":"","SMILES":"O=C(C=Cc1ccccc1)c1ccccc1"}
{"CAS":"94-44-0","Substance Name":"","SMILES":"O=C(OCc1ccccc1)c1cccnc1"}
{"CAS":"94-46-2","Substance Name":"","SMILES":"CC(C)CCOC(=O)c1ccccc1"}
{"CAS":"94-47-3","Substance Name":"","SMILES":"O=C(OCCc1ccccc1)c1ccccc1"}
{"CAS":"94-48-4","Substance Name":"","SMILES":"CC(C)=CCCC(C)=CCOC(=O)c1ccccc1"}
{"CAS":"94-51-9","Substance Name":"","SMILES":"O=C(OCCCOCCCOC(=O)c1ccccc1)c1ccccc1"}
{"CAS":"94-53-1","Substance Name":"","SMILES":"O=C(O)c1ccc2c(c1)OCO2"}
{"CAS":"94-58-6","Substance Name":"","SMILES":"CCCc1ccc2c(c1)OCO2"}
{"CAS":"94-59-7","Substance Name":"","SMILES":"C=CCc1ccc2c(c1)OCO2"}
{"CAS":"94-62-2","Substance Name":"","SMILES":"O=C(C=CC=Cc1ccc2c(c1)OCO2)N1CCCCC1"}
{"CAS":"94-63-3","Substance Name":"","SMILES":"C[n+]1ccccc1C=NO"}
{"CAS":"94-70-2","Substance Name":"","SMILES":"CCOc1ccccc1N"}
{"CAS":"94-76-8","Substance Name":"","SMILES":"Cc1cc(Cl)ccc1SCC(=O)O"}
{"CAS":"94-80-4","Substance Name":"","SMILES":"CCCCOC(=O)COc1ccc(Cl)cc1Cl"}
{"CAS":"94-83-7","Substance Name":"","SMILES":"O=C(OCCOc1ccc(Cl)cc1Cl)c1ccccc1"}
{"CAS":"94-86-0","Substance Name":"","SMILES":"CC=Cc1ccc(OCC)c(O)c1"}
{"CAS":"94-91-7","Substance Name":"","SMILES":"CC(CN=Cc1ccccc1O)N=Cc1ccccc1O"}
{"CAS":"94-93-9","Substance Name":"","SMILES":"Oc1ccccc1C=NCCN=Cc1ccccc1O"}
{"CAS":"94-96-2","Substance Name":"","SMILES":"CCCC(O)C(CC)CO"}
{"CAS":"95-01-2","Substance Name":"","SMILES":"O=Cc1ccc(O)cc1O"}
{"CAS":"95-04-5","Substance Name":"","SMILES":"CC=C(CC)C(=O)NC(N)=O"}
{"CAS":"95-05-6","Substance Name":"","SMILES":"CCN(CC)C(=S)SC(=S)N(CC)CC"}
{"CAS":"95-06-7","Substance Name":"","SMILES":"C=C(Cl)CSC(=S)N(CC)CC"}
{"CAS":"95-08-9","Substance Name":"","SMILES":"CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC"}
{"CAS":"95-11-4","Substance Name":"","SMILES":"N#CC1CC2C=CC1C2"}
{"CAS":"95-13-6","Substance Name":"","SMILES":"C1=Cc2ccccc2C1"}
{"CAS":"95-14-7","Substance Name":"","SMILES":"c1ccc2n[nH]nc2c1"}
{"CAS":"95-16-9","Substance Name":"","SMILES":"c1ccc2scnc2c1"}
{"CAS":"95-19-2","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCCCC1=NCCN1CCO"}
{"CAS":"95-20-5","Substance Name":"","SMILES":"Cc1cc2ccccc2[nH]1"}
{"CAS":"95-21-6","Substance Name":"","SMILES":"Cc1nc2ccccc2o1"}
{"CAS":"95-24-9","Substance Name":"","SMILES":"Nc1nc2ccc(Cl)cc2s1"}
{"CAS":"95-25-0","Substance Name":"","SMILES":"O=c1[nH]c2cc(Cl)ccc2o1"}
{"CAS":"95-26-1","Substance Name":"","SMILES":"Cc1ccc2sc(C)nc2c1"}
{"CAS":"95-29-4","Substance Name":"","SMILES":"CC(C)N(Sc1nc2ccccc2s1)C(C)C"}
{"CAS":"95-30-7","Substance Name":"","SMILES":"CCN(CC)C(=S)Sc1nc2ccccc2s1"}
{"CAS":"95-31-8","Substance Name":"","SMILES":"CC(C)(C)NSc1nc2ccccc2s1"}
{"CAS":"95-32-9","Substance Name":"","SMILES":"c1ccc2sc(SSN3CCOCC3)nc2c1"}
{"CAS":"95-33-0","Substance Name":"","SMILES":"c1ccc2sc(SNC3CCCCC3)nc2c1"}
{"CAS":"95-35-2","Substance Name":"","SMILES":"O=C(NCSc1nc2ccccc2s1)NCSc1nc2ccccc2s1"}
{"CAS":"95-38-5","Substance Name":"","SMILES":"CCCCCCCCC=CCCCCCCCC1=NCCN1CCO"}
{"CAS":"95-41-0","Substance Name":"","SMILES":"CCCCCCC1=CCCC1=O"}
{"CAS":"95-46-5","Substance Name":"","SMILES":"Cc1ccccc1Br"}
{"CAS":"95-48-7","Substance Name":"Phenol, 2-methyl-","Registry Name":"o-Cresol","SMILES":"Cc1ccccc1O"}
{"CAS":"95-49-8","Substance Name":"","SMILES":"Cc1ccccc1Cl"}
{"CAS":"95-50-1","Substance Name":"Benzene, 1,2-dichloro-","Registry Name":"o-Dichlorobenzene","SMILES":"Clc1ccccc1Cl"}
{"CAS":"95-51-2","Substance Name":"","SMILES":"Nc1ccccc1Cl"}
{"CAS":"95-52-3","Substance Name":"","SMILES":"Cc1ccccc1F"}
{"CAS":"95-53-4","Substance Name":"","SMILES":"Cc1ccccc1N"}
{"CAS":"95-54-5","Substance Name":"","SMILES":"Nc1ccccc1N"}
{"CAS":"95-55-6","Substance Name":"","SMILES":"Nc1ccccc1O"}
{"CAS":"95-56-7","Substance Name":"","SMILES":"Oc1ccccc1Br"}
{"CAS":"95-57-8","Substance Name":"Phenol, 2-chloro-","Registry Name":"o-Chlorophenol","SMILES":"Oc1ccccc1Cl"}
{"CAS":"95-63-6","Substance Name":"","SMILES":"Cc1ccc(C)c(C)c1"}
{"CAS":"95-64-7","Substance Name":"","SMILES":"Cc1ccc(N)cc1C"}
{"CAS":"95-65-8","Substance Name":"","SMILES":"Cc1ccc(O)cc1C"}
{"CAS":"95-69-2","Substance Name":"","SMILES":"Cc1cc(Cl)ccc1N"}
{"CAS":"95-70-5","Substance Name":"","SMILES":"Cc1cc(N)ccc1N"}
{"CAS":"95-71-6","Substance Name":"","SMILES":"Cc1cc(O)ccc1O"}
{"CAS":"95-73-8","Substance Name":"","SMILES":"Cc1ccc(Cl)cc1Cl"}
{"CAS":"95-76-1","Substance Name":"","SMILES":"Nc1ccc(Cl)c(Cl)c1"}
{"CAS":"95-77-2","Substance Name":"","SMILES":"Oc1ccc(Cl)c(Cl)c1"}
{"CAS":"95-79-4","Substance Name":"","SMILES":"Cc1ccc(Cl)cc1N"}
{"CAS":"95-80-7","Substance Name":"","SMILES":"Cc1ccc(N)cc1N"}
{"CAS":"95-82-9","Substance Name":"","SMILES":"Nc1cc(Cl)ccc1Cl"}
{"CAS":"95-85-2","Substance Name":"","SMILES":"Nc1cc(Cl)ccc1O"}
{"CAS":"95-87-4","Substance Name":"","SMILES":"Cc1ccc(C)c(O)c1"}
{"CAS":"95-88-5","Substance Name":"","SMILES":"Oc1ccc(Cl)c(O)c1"}
{"CAS":"95-92-1","Substance Name":"","SMILES":"CCOC(=O)C(=O)OCC"}
{"CAS":"95-93-2","Substance Name":"","SMILES":"Cc1cc(C)c(C)cc1C"}
{"CAS":"95-94-3","Substance Name":"Benzene, 1,2,4,5-tetrachloro-","Registry Name":"1,2,4,5-Tetrachlorobenzene","SMILES":"Clc1cc(Cl)c(Cl)cc1Cl"}
{"CAS":"95-95-4","Substance Name":"Phenol, 2,4,5-trichloro-","Registry Name":"2,4,5-Trichlorophenol","SMILES":"Oc1cc(Cl)c(Cl)cc1Cl"}
{"CAS":"95-96-5","Substance Name":"","SMILES":"CC1OC(=O)C(C)OC1=O"}
{"CAS":"95-99-8","Substance Name":"","SMILES":"O=C(O)CNC(=S)C(=S)NCC(=O)O"}
{"CAS":"96-05-9","Substance Name":"","SMILES":"C=CCOC(=O)C(=C)C"}
{"CAS":"96-08-2","Substance Name":"","SMILES":"CC1OC1C1CCC2(C)OC2C1"}
{"CAS":"96-09-3","Substance Name":"","SMILES":"c1ccc(C2CO2)cc1"}
{"CAS":"96-12-8","Substance Name":"Propane, 1,2-dibromo-3-chloro-","Registry Name":"1,2-Dibromo-3-chloropropane","SMILES":"ClCC(Br)CBr"}
{"CAS":"96-13-9","Substance Name":"","SMILES":"OCC(Br)CBr"}
{"CAS":"96-17-3","Substance Name":"","SMILES":"CCC(C)C=O"}
{"CAS":"96-18-4","Substance Name":"Propane, 1,2,3-trichloro-","Registry Name":"1,2,3-Trichloropropane","SMILES":"ClCC(Cl)CCl"}
{"CAS":"96-19-5","Substance Name":"","SMILES":"ClC=C(Cl)CCl"}
{"CAS":"96-20-8","Substance Name":"","SMILES":"CCC(N)CO"}
{"CAS":"96-21-9","Substance Name":"","SMILES":"OC(CBr)CBr"}
{"CAS":"96-22-0","Substance Name":"","SMILES":"CCC(=O)CC"}
{"CAS":"96-23-1","Substance Name":"","SMILES":"OC(CCl)CCl"}
{"CAS":"96-24-2","Substance Name":"","SMILES":"OCC(O)CCl"}
{"CAS":"96-26-4","Substance Name":"","SMILES":"O=C(CO)CO"}
{"CAS":"96-27-5","Substance Name":"","SMILES":"OCC(O)CS"}
{"CAS":"96-29-7","Substance Name":"","SMILES":"CCC(C)=NO"}
{"CAS":"96-30-0","Substance Name":"","SMILES":"CNC(=O)CCl"}
{"CAS":"96-31-1","Substance Name":"","SMILES":"CNC(=O)NC"}
{"CAS":"96-33-3","Substance Name":"","SMILES":"C=CC(=O)OC"}
{"CAS":"96-34-4","Substance Name":"","SMILES":"COC(=O)CCl"}
{"CAS":"96-45-7","Substance Name":"","SMILES":"S=C1NCCN1"}
{"CAS":"96-47-9","Substance Name":"","SMILES":"CC1CCCO1"}
{"CAS":"96-48-0","Substance Name":"","SMILES":"O=C1CCCO1"}
{"CAS":"96-49-1","Substance Name":"","SMILES":"O=C1OCCO1"}
{"CAS":"96-50-4","Substance Name":"","SMILES":"Nc1nccs1"}
{"CAS":"96-64-0","Substance Name":"","SMILES":"CC(OP(C)(=O)F)C(C)(C)C"}
{"CAS":"96-66-2","Substance Name":"","SMILES":"Cc1cc(Sc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O"}
{"CAS":"96-69-5","Substance Name":"","SMILES":"Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C"}
{"CAS":"96-76-4","Substance Name":"","SMILES":"CC(C)(C)c1ccc(O)c(C(C)(C)C)c1"}
{"CAS":"96-80-0","Substance Name":"","SMILES":"CC(C)N(CCO)C(C)C"}
{"CAS":"96-83-3","Substance Name":"","SMILES":"CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O"}
{"CAS":"96-84-4","Substance Name":"","SMILES":"CCC(Cc1c(I)cc(I)c(O)c1I)C(=O)O"}
{"CAS":"96-96-8","Substance Name":"","SMILES":"COc1ccc(N)c([N+](=O)[O-])c1"}
{"CAS":"96-99-1","Substance Name":"","SMILES":"O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1"}
{"CAS":"97-00-7","Substance Name":"","SMILES":"O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1"}
{"CAS":"97-02-9","Substance Name":"","SMILES":"Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]"}
{"CAS":"97-05-2","Substance Name":"","SMILES":"O=C(O)c1cc(S(=O)(=O)O)ccc1O"}
{"CAS":"97-11-0","Substance Name":"","SMILES":"CC(C)=CC1C(C(=O)OC2CC(=O)C(C3C=CCC3)=C2C)C1(C)C"}
{"CAS":"97-16-5","Substance Name":"","SMILES":"O=S(=O)(Oc1ccc(Cl)cc1Cl)c1ccccc1"}
{"CAS":"97-17-6","Substance Name":"","SMILES":"CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl"}
{"CAS":"97-18-7","Substance Name":"","SMILES":"Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O"}
{"CAS":"97-22-3","Substance Name":"","SMILES":"Cc1cc(Cc2cc(C)c(N)cc2N)c(N)cc1N"}
{"CAS":"97-23-4","Substance Name":"","SMILES":"Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O"}
{"CAS":"97-26-7","Substance Name":"","SMILES":"Cc1cc(N=C2C=CC(=[N+](C)C)C=C2)c(N)cc1N"}
{"CAS":"97-36-9","Substance Name":"","SMILES":"CC(=O)CC(=O)Nc1ccc(C)cc1C"}
{"CAS":"97-39-2","Substance Name":"","SMILES":"Cc1ccccc1NC(=N)Nc1ccccc1C"}
{"CAS":"97-41-6","Substance Name":"","SMILES":"CCOC(=O)C1C(C=C(C)C)C1(C)C"}
{"CAS":"97-44-9","Substance Name":"","SMILES":"CC(=O)Nc1cc([As](=O)(O)O)ccc1O"}
{"CAS":"97-51-8","Substance Name":"","SMILES":"O=Cc1cc([N+](=O)[O-])ccc1O"}
{"CAS":"97-52-9","Substance Name":"","SMILES":"COc1cc([N+](=O)[O-])ccc1N"}
{"CAS":"97-53-0","Substance Name":"","SMILES":"C=CCc1ccc(O)c(OC)c1"}
{"CAS":"97-54-1","Substance Name":"","SMILES":"CC=Cc1ccc(O)c(OC)c1"}
{"CAS":"97-56-3","Substance Name":"","SMILES":"Cc1cc(N=Nc2ccccc2C)ccc1N"}
{"CAS":"97-61-0","Substance Name":"","SMILES":"CCCC(C)C(=O)O"}
{"CAS":"97-62-1","Substance Name":"","SMILES":"CCOC(=O)C(C)C"}
{"CAS":"97-63-2","Substance Name":"","SMILES":"C=C(C)C(=O)OCC"}
{"CAS":"97-64-3","Substance Name":"","SMILES":"CCOC(=O)C(C)O"}
{"CAS":"97-74-5","Substance Name":"","SMILES":"CN(C)C(=S)SC(=S)N(C)C"}
{"CAS":"97-77-8","Substance Name":"","SMILES":"CCN(CC)C(=S)SSC(=S)N(CC)CC"}
{"CAS":"97-81-4","Substance Name":"","SMILES":"CCOC(=O)C1CC2CC1C1OC21"}
{"CAS":"97-84-7","Substance Name":"","SMILES":"CC(CCN(C)C)N(C)C"}
{"CAS":"97-85-8","Substance Name":"","SMILES":"CC(C)COC(=O)C(C)C"}
{"CAS":"97-86-9","Substance Name":"","SMILES":"C=C(C)C(=O)OCC(C)C"}
{"CAS":"97-87-0","Substance Name":"","SMILES":"CCCCOC(=O)C(C)C"}
{"CAS":"97-88-1","Substance Name":"","SMILES":"C=C(C)C(=O)OCCCC"}
{"CAS":"97-90-5","Substance Name":"","SMILES":"C=C(C)C(=O)OCCOC(=O)C(=C)C"}
{"CAS":"97-94-9","Substance Name":"","SMILES":"CCB(CC)CC"}
{"CAS":"97-95-0","Substance Name":"","SMILES":"CCC(CC)CO"}
{"CAS":"97-96-1","Substance Name":"","SMILES":"CCC(C=O)CC"}
{"CAS":"97-99-4","Substance Name":"","SMILES":"OCC1CCCO1"}
{"CAS":"98-00-0","Substance Name":"","SMILES":"OCc1ccco1"}
{"CAS":"98-01-1","Substance Name":"2-Furancarboxaldehyde","Registry Name":"Furfural","SMILES":"O=Cc1ccco1"}
{"CAS":"98-02-2","Substance Name":"","SMILES":"SCc1ccco1"}
{"CAS":"98-03-3","Substance Name":"","SMILES":"O=Cc1cccs1"}
{"CAS":"98-04-4","Substance Name":"","SMILES":"C[N+](C)(C)c1ccccc1"}
{"CAS":"98-05-5","Substance Name":"","SMILES":"O=[As](O)(O)c1ccccc1"}
{"CAS":"98-06-6","Substance Name":"","SMILES":"CC(C)(C)c1ccccc1"}
{"CAS":"98-07-7","Substance Name":"","SMILES":"ClC(Cl)(Cl)c1ccccc1"}
{"CAS":"98-08-8","Substance Name":"","SMILES":"FC(F)(F)c1ccccc1"}
{"CAS":"98-09-9","Substance Name":"","SMILES":"O=S(=O)(Cl)c1ccccc1"}
{"CAS":"98-10-2","Substance Name":"","SMILES":"NS(=O)(=O)c1ccccc1"}
{"CAS":"98-11-3","Substance Name":"","SMILES":"O=S(=O)(O)c1ccccc1"}
{"CAS":"98-13-5","Substance Name":"","SMILES":"Cl[Si](Cl)(Cl)c1ccccc1"}
{"CAS":"98-17-9","Substance Name":"","SMILES":"Oc1cccc(C(F)(F)F)c1"}
{"CAS":"98-27-1","Substance Name":"","SMILES":"Cc1cc(C(C)(C)C)ccc1O"}
{"CAS":"98-29-3","Substance Name":"","SMILES":"CC(C)(C)c1ccc(O)c(O)c1"}
{"CAS":"98-46-4","Substance Name":"","SMILES":"O=[N+]([O-])c1cccc(C(F)(F)F)c1"}
{"CAS":"98-51-1","Substance Name":"","SMILES":"Cc1ccc(C(C)(C)C)cc1"}
{"CAS":"98-52-2","Substance Name":"","SMILES":"CC(C)(C)C1CCC(O)CC1"}
{"CAS":"98-53-3","Substance Name":"","SMILES":"CC(C)(C)C1CCC(=O)CC1"}
{"CAS":"98-54-4","Substance Name":"","SMILES":"CC(C)(C)c1ccc(O)cc1"}
{"CAS":"98-55-5","Substance Name":"","SMILES":"CC1=CCC(C(C)(C)O)CC1"}
{"CAS":"98-56-6","Substance Name":"","SMILES":"FC(F)(F)c1ccc(Cl)cc1"}
{"CAS":"98-57-7","Substance Name":"","SMILES":"CS(=O)(=O)c1ccc(Cl)cc1"}
{"CAS":"98-60-2","Substance Name":"","SMILES":"O=S(=O)(Cl)c1ccc(Cl)cc1"}
{"CAS":"98-64-6","Substance Name":"","SMILES":"NS(=O)(=O)c1ccc(Cl)cc1"}
{"CAS":"98-67-9","Substance Name":"","SMILES":"O=S(=O)(O)c1ccc(O)cc1"}
{"CAS":"98-72-6","Substance Name":"","SMILES":"O=[N+]([O-])c1ccc([As](=O)(O)O)cc1"}
{"CAS":"98-73-7","Substance Name":"","SMILES":"CC(C)(C)c1ccc(C(=O)O)cc1"}
{"CAS":"98-80-6","Substance Name":"","SMILES":"OB(O)c1ccccc1"}
{"CAS":"98-81-7","Substance Name":"","SMILES":"C=C(Br)c1ccccc1"}
{"CAS":"98-82-8","Substance Name":"Benzene, (1-methylethyl)-","Registry Name":"Cumene","SMILES":"CC(C)c1ccccc1"}
{"CAS":"98-83-9","Substance Name":"","SMILES":"C=C(C)c1ccccc1"}
{"CAS":"98-85-1","Substance Name":"","SMILES":"CC(O)c1ccccc1"}
{"CAS":"98-86-2","Substance Name":"","SMILES":"CC(=O)c1ccccc1"}
{"CAS":"98-87-3","Substance Name":"","SMILES":"ClC(Cl)c1ccccc1"}
{"CAS":"98-88-4","Substance Name":"","SMILES":"O=C(Cl)c1ccccc1"}
{"CAS":"98-89-5","Substance Name":"","SMILES":"O=C(O)C1CCCCC1"}
{"CAS":"98-91-9","Substance Name":"","SMILES":"O=C(S)c1ccccc1"}
{"CAS":"98-92-0","Substance Name":"","SMILES":"NC(=O)c1cccnc1"}
{"CAS":"98-94-2","Substance Name":"","SMILES":"CN(C)C1CCCCC1"}
{"CAS":"98-95-3","Substance Name":"Benzene, nitro-","Registry Name":"Nitrobenzene","SMILES":"O=[N+]([O-])c1ccccc1"}
{"CAS":"98-96-4","Substance Name":"","SMILES":"NC(=O)c1cnccn1"}
{"CAS":"98-98-6","Substance Name":"","SMILES":"O=C(O)c1ccccn1"}
{"CAS":"99-00-3","Substance Name":"","SMILES":"S=C(S)N1CCNCC1"}
{"CAS":"99-03-6","Substance Name":"","SMILES":"CC(=O)c1cccc(N)c1"}
{"CAS":"99-04-7","Substance Name":"","SMILES":"Cc1cccc(C(=O)O)c1"}
{"CAS":"99-05-8","Substance Name":"","SMILES":"Nc1cccc(C(=O)O)c1"}
{"CAS":"99-08-1","Substance Name":"","SMILES":"Cc1cccc([N+](=O)[O-])c1"}
{"CAS":"99-09-2","Substance Name":"Benzenamine, 3-nitro-","Registry Name":"m-Nitroaniline","SMILES":"Nc1cccc([N+](=O)[O-])c1"}
{"CAS":"99-10-5","Substance Name":"","SMILES":"O=C(O)c1cc(O)cc(O)c1"}
{"CAS":"99-11-6","Substance Name":"","SMILES":"O=C(O)c1cc(O)[nH]c(=O)c1"}
{"CAS":"99-24-1","Substance Name":"","SMILES":"COC(=O)c1cc(O)c(O)c(O)c1"}
{"CAS":"99-28-5","Substance Name":"","SMILES":"O=[N+]([O-])c1cc(Br)c(O)c(Br)c1"}
{"CAS":"99-30-9","Substance Name":"","SMILES":"Nc1c(Cl)cc([N+](=O)[O-])cc1Cl"}
{"CAS":"99-35-4","Substance Name":"Benzene, 1,3,5-trinitro-","Registry Name":"1,3,5-Trinitrobenzene","SMILES":"O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1"}
{"CAS":"99-42-3","Substance Name":"","SMILES":"COC(=O)c1ccc(O)c([N+](=O)[O-])c1"}
{"CAS":"99-47-8","Substance Name":"","SMILES":"O=C(CCl)c1cccc([N+](=O)[O-])c1"}
{"CAS":"99-48-9","Substance Name":"","SMILES":"C=C(C)C1CC=C(C)C(O)C1"}
{"CAS":"99-50-3","Substance Name":"","SMILES":"O=C(O)c1ccc(O)c(O)c1"}
{"CAS":"99-53-6","Substance Name":"","SMILES":"Cc1cc([N+](=O)[O-])ccc1O"}
{"CAS":"99-54-7","Substance Name":"","SMILES":"O=[N+]([O-])c1ccc(Cl)c(Cl)c1"}
{"CAS":"99-56-9","Substance Name":"","SMILES":"Nc1ccc([N+](=O)[O-])cc1N"}
{"CAS":"99-57-0","Substance Name":"","SMILES":"Nc1cc([N+](=O)[O-])ccc1O"}
{"CAS":"99-59-2","Substance Name":"","SMILES":"COc1ccc([N+](=O)[O-])cc1N"}
{"CAS":"99-61-6","Substance Name":"","SMILES":"O=Cc1cccc([N+](=O)[O-])c1"}
{"CAS":"99-62-7","Substance Name":"","SMILES":"CC(C)c1cccc(C(C)C)c1"}
{"CAS":"99-63-8","Substance Name":"","SMILES":"O=C(Cl)c1cccc(C(=O)Cl)c1"}
{"CAS":"99-65-0","Substance Name":"Benzene, 1,3-dinitro-","Registry Name":"m-Dinitrobenzene","SMILES":"O=[N+]([O-])c1cccc([N+](=O)[O-])c1"}
{"CAS":"99-67-2","Substance Name":"","SMILES":"C=CCC(CC=C)C(=O)O"}
{"CAS":"99-69-4","Substance Name":"","SMILES":"O=C(O)CCN(CCC(=O)O)[N+](=O)[O-]"}
{"CAS":"99-71-8","Substance Name":"","SMILES":"CCC(C)c1ccc(O)cc1"}
{"CAS":"99-72-9","Substance Name":"","SMILES":"Cc1ccc(C(C)C=O)cc1"}
{"CAS":"99-73-0","Substance Name":"","SMILES":"O=C(CBr)c1ccc(Br)cc1"}
{"CAS":"99-75-2","Substance Name":"","SMILES":"COC(=O)c1ccc(C)cc1"}
{"CAS":"99-76-3","Substance Name":"","SMILES":"COC(=O)c1ccc(O)cc1"}
{"CAS":"99-77-4","Substance Name":"","SMILES":"CCOC(=O)c1ccc([N+](=O)[O-])cc1"}
{"CAS":"99-79-6","Substance Name":"","SMILES":"CCOC(=O)CCCCCCCCC(C)c1ccc(I)cc1"}
{"CAS":"99-80-9","Substance Name":"","SMILES":"CN(N=O)c1ccc(N=O)cc1"}
{"CAS":"99-83-2","Substance Name":"","SMILES":"CC1=CCC(C(C)C)C=C1"}
{"CAS":"99-85-4","Substance Name":"","SMILES":"CC1=CCC(C(C)C)=CC1"}
{"CAS":"99-86-5","Substance Name":"","SMILES":"CC1=CC=C(C(C)C)CC1"}
{"CAS":"99-87-6","Substance Name":"","SMILES":"Cc1ccc(C(C)C)cc1"}
{"CAS":"99-89-8","Substance Name":"","SMILES":"CC(C)c1ccc(O)cc1"}
{"CAS":"99-91-2","Substance Name":"","SMILES":"CC(=O)c1ccc(Cl)cc1"}
{"CAS":"99-92-3","Substance Name":"","SMILES":"CC(=O)c1ccc(N)cc1"}
{"CAS":"99-93-4","Substance Name":"","SMILES":"CC(=O)c1ccc(O)cc1"}
{"CAS":"99-94-5","Substance Name":"","SMILES":"Cc1ccc(C(=O)O)cc1"}
{"CAS":"99-96-7","Substance Name":"","SMILES":"O=C(O)c1ccc(O)cc1"}
{"CAS":"99-97-8","Substance Name":"","SMILES":"Cc1ccc(N(C)C)cc1"}
{"CAS":"99-99-0","Substance Name":"Benzene, 1-methyl-4-nitro-","Registry Name":"p-Nitrotoluene","SMILES":"Cc1ccc([N+](=O)[O-])cc1"}
{"CAS":"100-00-5","Substance Name":"","SMILES":"O=[N+]([O-])c1ccc(Cl)cc1"}
{"CAS":"100-01-6","Substance Name":"Benzenamine, 4-nitro-","Registry Name":"p-Nitroaniline","SMILES":"Nc1ccc([N+](=O)[O-])cc1"}
{"CAS":"100-02-7","Substance Name":"Phenol, 4-nitro-","Registry Name":"p-Nitrophenol","SMILES":"O=[N+]([O-])c1ccc(O)cc1"}
{"CAS":"100-03-8","Substance Name":"","SMILES":"O=S(O)c1ccc(Cl)cc1"}
{"CAS":"100-06-1","Substance Name":"","SMILES":"COc1ccc(C(C)=O)cc1"}
{"CAS":"100-09-4","Substance Name":"","SMILES":"COc1ccc(C(=O)O)cc1"}
{"CAS":"100-10-7","Substance Name":"","SMILES":"CN(C)c1ccc(C=O)cc1"}
{"CAS":"100-11-8","Substance Name":"","SMILES":"O=[N+]([O-])c1ccc(CBr)cc1"}
{"CAS":"100-14-1","Substance Name":"","SMILES":"O=[N+]([O-])c1ccc(CCl)cc1"}
{"CAS":"100-17-4","Substance Name":"","SMILES":"COc1ccc([N+](=O)[O-])cc1"}
{"CAS":"100-18-5","Substance Name":"","SMILES":"CC(C)c1ccc(C(C)C)cc1"}
{"CAS":"100-20-9","Substance Name":"","SMILES":"O=C(Cl)c1ccc(C(=O)Cl)cc1"}
{"CAS":"100-21-0","Substance Name":"","SMILES":"O=C(O)c1ccc(C(=O)O)cc1"}
{"CAS":"100-22-1","Substance Name":"","SMILES":"CN(C)c1ccc(N(C)C)cc1"}
{"CAS":"100-25-4","Substance Name":"","SMILES":"O=[N+]([O-])c1ccc([N+](=O)[O-])cc1"}
{"CAS":"100-28-7","Substance Name":"","SMILES":"O=C=Nc1ccc([N+](=O)[O-])cc1"}
{"CAS":"100-29-8","Substance Name":"","SMILES":"CCOc1ccc([N+](=O)[O-])cc1"}
{"CAS":"100-36-7","Substance Name":"","SMILES":"CCN(CC)CCN"}
{"CAS":"100-37-8","Substance Name":"","SMILES":"CCN(CC)CCO"}
{"CAS":"100-38-9","Substance Name":"","SMILES":"CCN(CC)CCS"}
{"CAS":"100-41-4","Substance Name":"Benzene, ethyl-","Registry Name":"Ethylbenzene","SMILES":"CCc1ccccc1"}
{"CAS":"100-42-5","Substance Name":"Benzene, ethenyl-","Registry Name":"Styrene","SMILES":"C=Cc1ccccc1"}
{"CAS":"100-43-6","Substance Name":"","SMILES":"C=Cc1ccncc1"}
{"CAS":"100-44-7","Substance Name":"Benzene, (chloromethyl)-","Registry Name":"Benzyl chloride","SMILES":"ClCc1ccccc1"}
{"CAS":"100-45-8","Substance Name":"","SMILES":"N#CC1CC=CCC1"}
{"CAS":"100-46-9","Substance Name":"","SMILES":"NCc1ccccc1"}
{"CAS":"100-47-0","Substance Name":"","SMILES":"N#Cc1ccccc1"}
{"CAS":"100-49-2","Substance Name":"","SMILES":"OCC1CCCCC1"}
{"CAS":"100-51-6","Substance Name":"Benzenemethanol","Registry Name":"Benzyl alcohol","SMILES":"OCc1ccccc1"}
{"CAS":"100-52-7","Substance Name":"","SMILES":"O=Cc1ccccc1"}
{"CAS":"100-53-8","Substance Name":"","SMILES":"SCc1ccccc1"}
{"CAS":"100-54-9","Substance Name":"","SMILES":"N#Cc1cccnc1"}
{"CAS":"100-55-0","Substance Name":"","SMILES":"OCc1cccnc1"}
{"CAS":"100-56-1","Substance Name":"","SMILES":"Cl[Hg]c1ccccc1"}
{"CAS":"100-57-2","Substance Name":"","SMILES":"O[Hg]c1ccccc1"}
{"CAS":"100-60-7","Substance Name":"","SMILES":"CNC1CCCCC1"}
{"CAS":"100-63-0","Substance Name":"","SMILES":"NNc1ccccc1"}
{"CAS":"100-64-1","Substance Name":"","SMILES":"ON=C1CCCCC1"}
{"CAS":"100-65-2","Substance Name":"","SMILES":"ONc1ccccc1"}
{"CAS":"100-66-3","Substance Name":"","SMILES":"COc1ccccc1"}
{"CAS":"100-68-5","Substance Name":"","SMILES":"CSc1ccccc1"}
{"CAS":"100-69-6","Substance Name":"","SMILES":"C=Cc1ccccn1"}
{"CAS":"100-72-1","Substance Name":"","SMILES":"OCC1CCCCO1"}
{"CAS":"100-73-2","Substance Name":"","SMILES":"O=CC1CCC=CO1"}
{"CAS":"100-74-3","Substance Name":"","SMILES":"CCN1CCOCC1"}
{"CAS":"100-75-4","Substance Name":"","SMILES":"O=NN1CCCCC1"}
{"CAS":"100-76-5","Substance Name":"","SMILES":"C1CN2CCC1CC2"}
{"CAS":"100-79-8","Substance Name":"","SMILES":"CC1(C)OCC(CO)O1"}
{"CAS":"100-86-7","Substance Name":"","SMILES":"CC(C)(O)Cc1ccccc1"}
{"CAS":"100-87-8","Substance Name":"","SMILES":"O=S(=O)(O)Cc1ccccc1"}
{"CAS":"100-89-0","Substance Name":"","SMILES":"CC1CC(C)(C)OB(OC(C)CC(C)(C)OB2OC(C)CC(C)(C)O2)O1"}
{"CAS":"100-92-5","Substance Name":"","SMILES":"CNC(C)(C)Cc1ccccc1"}
{"CAS":"100-95-8","Substance Name":"","SMILES":"CCCCCCCCCCCCNC(=O)C[N+](C)(C)Cc1ccccc1"}
{"CAS":"100-97-0","Substance Name":"","SMILES":"C1N2CN3CN1CN(C2)C3"}
{"CAS":"101-00-8","Substance Name":"","SMILES":"CC1CN2CC(C)OB(O1)OC(C)C2"}
{"CAS":"101-01-9","Substance Name":"","SMILES":"c1ccc(N=C(Nc2ccccc2)Nc2ccccc2)cc1"}
{"CAS":"101-02-0","Substance Name":"","SMILES":"c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1"}
{"CAS":"101-05-3","Substance Name":"","SMILES":"Clc1nc(Cl)nc(Nc2ccccc2Cl)n1"}
{"CAS":"101-07-5","Substance Name":"","SMILES":"CCCCC(CC)CN(CCO)CC(CC)CCCC"}
{"CAS":"101-10-0","Substance Name":"","SMILES":"CC(Oc1cccc(Cl)c1)C(=O)O"}
{"CAS":"101-14-4","Substance Name":"Benzenamine, 4,4'-methylenebis[2-chloro-","Registry Name":"4,4'-Methylenebis(2-chloroaniline)","SMILES":"Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl"}
{"CAS":"101-20-2","Substance Name":"","SMILES":"O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1"}
{"CAS":"101-21-3","Substance Name":"","SMILES":"CC(C)OC(=O)Nc1cccc(Cl)c1"}
{"CAS":"101-23-5","Substance Name":"","SMILES":"FC(F)(F)c1cccc(Nc2ccccc2)c1"}
{"CAS":"101-25-7","Substance Name":"","SMILES":"O=NN1CN2CN(C1)CN(N=O)C2"}
{"CAS":"101-27-9","Substance Name":"","SMILES":"O=C(Nc1cccc(Cl)c1)OCC#CCCl"}
{"CAS":"101-32-6","Substance Name":"","SMILES":"OCCN(CCO)Cc1ccccc1"}
{"CAS":"101-37-1","Substance Name":"","SMILES":"C=CCOc1nc(OCC=C)nc(OCC=C)n1"}
{"CAS":"101-38-2","Substance Name":"","SMILES":"O=C1C(Cl)=CC(=NCl)C=C1Cl"}
{"CAS":"101-39-3","Substance Name":"","SMILES":"CC(C=O)=Cc1ccccc1"}
{"CAS":"101-40-6","Substance Name":"","SMILES":"CNC(C)CC1CCCCC1"}
{"CAS":"101-41-7","Substance Name":"","SMILES":"COC(=O)Cc1ccccc1"}
{"CAS":"101-42-8","Substance Name":"","SMILES":"CN(C)C(=O)Nc1ccccc1"}
{"CAS":"101-49-5","Substance Name":"","SMILES":"c1ccc(CC2OCCO2)cc1"}
{"CAS":"101-53-1","Substance Name":"","SMILES":"Oc1ccc(Cc2ccccc2)cc1"}
{"CAS":"101-54-2","Substance Name":"","SMILES":"Nc1ccc(Nc2ccccc2)cc1"}
{"CAS":"101-59-7","Substance Name":"","SMILES":"Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1"}
{"CAS":"101-61-1","Substance Name":"","SMILES":"CN(C)c1ccc(Cc2ccc(N(C)C)cc2)cc1"}
{"CAS":"101-68-8","Substance Name":"","SMILES":"O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1"}
{"CAS":"101-70-2","Substance Name":"","SMILES":"COc1ccc(Nc2ccc(OC)cc2)cc1"}
{"CAS":"101-71-3","Substance Name":"","SMILES":"NC(=O)Oc1ccc(Cc2ccccc2)cc1"}
{"CAS":"101-72-4","Substance Name":"","SMILES":"CC(C)Nc1ccc(Nc2ccccc2)cc1"}
{"CAS":"101-75-7","Substance Name":"","SMILES":"c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1"}
{"CAS":"101-76-8","Substance Name":"","SMILES":"Clc1ccc(Cc2ccc(Cl)cc2)cc1"}
{"CAS":"101-77-9","Substance Name":"Benzenamine, 4,4'-methylenebis-","Registry Name":"4,4'-Methylenedianiline","SMILES":"Nc1ccc(Cc2ccc(N)cc2)cc1"}
{"CAS":"101-80-4","Substance Name":"","SMILES":"Nc1ccc(Oc2ccc(N)cc2)cc1"}
{"CAS":"101-81-5","Substance Name":"","SMILES":"c1ccc(Cc2ccccc2)cc1"}
{"CAS":"101-82-6","Substance Name":"","SMILES":"c1ccc(Cc2ccccn2)cc1"}
{"CAS":"101-84-8","Substance Name":"","SMILES":"c1ccc(Oc2ccccc2)cc1"}
{"CAS":"101-85-9","Substance Name":"","SMILES":"CCCCCC(=Cc1ccccc1)CO"}
{"CAS":"101-86-0","Substance Name":"","SMILES":"CCCCCCC(C=O)=Cc1ccccc1"}
{"CAS":"101-87-1","Substance Name":"","SMILES":"c1ccc(Nc2ccc(NC3CCCCC3)cc2)cc1"}
{"CAS":"101-90-6","Substance Name":"","SMILES":"c1cc(OCC2CO2)cc(OCC2CO2)c1"}
{"CAS":"101-94-0","Substance Name":"","SMILES":"Cc1ccc(OC(=O)Cc2ccccc2)cc1"}
{"CAS":"101-96-2","Substance Name":"","SMILES":"CCC(C)Nc1ccc(NC(C)CC)cc1"}
{"CAS":"101-97-3","Substance Name":"","SMILES":"CCOC(=O)Cc1ccccc1"}
{"CAS":"101-99-5","Substance Name":"","SMILES":"CCOC(=O)Nc1ccccc1"}
{"CAS":"102-01-2","Substance Name":"","SMILES":"CC(=O)CC(=O)Nc1ccccc1"}
{"CAS":"102-03-4","Substance Name":"","SMILES":"CC(=O)NC(=O)Nc1ccccc1"}
{"CAS":"102-04-5","Substance Name":"","SMILES":"O=C(Cc1ccccc1)Cc1ccccc1"}
{"CAS":"102-06-7","Substance Name":"","SMILES":"N=C(Nc1ccccc1)Nc1ccccc1"}
{"CAS":"102-07-8","Substance Name":"","SMILES":"O=C(Nc1ccccc1)Nc1ccccc1"}
{"CAS":"102-08-9","Substance Name":"","SMILES":"S=C(Nc1ccccc1)Nc1ccccc1"}
{"CAS":"102-09-0","Substance Name":"","SMILES":"O=C(Oc1ccccc1)Oc1ccccc1"}
{"CAS":"102-13-6","Substance Name":"","SMILES":"CC(C)COC(=O)Cc1ccccc1"}
{"CAS":"102-14-7","Substance Name":"","SMILES":"O=C(O)CCC(=O)Nc1ccccc1"}
{"CAS":"102-17-0","Substance Name":"","SMILES":"COc1ccc(COC(=O)Cc2ccccc2)cc1"}
{"CAS":"102-20-5","Substance Name":"","SMILES":"O=C(Cc1ccccc1)OCCc1ccccc1"}
{"CAS":"102-22-7","Substance Name":"","SMILES":"CC(C)=CCCC(C)=CCOC(=O)Cc1ccccc1"}
{"CAS":"102-24-9","Substance Name":"","SMILES":"COB1OB(OC)OB(OC)O1"}
{"CAS":"102-27-2","Substance Name":"","SMILES":"CCNc1cccc(C)c1"}
{"CAS":"102-28-3","Substance Name":"","SMILES":"CC(=O)Nc1cccc(N)c1"}
{"CAS":"102-29-4","Substance Name":"","SMILES":"CC(=O)Oc1cccc(O)c1"}
{"CAS":"102-30-7","Substance Name":"","SMILES":"CCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)c(Cl)c1"}
{"CAS":"102-36-3","Substance Name":"","SMILES":"O=C=Nc1ccc(Cl)c(Cl)c1"}
{"CAS":"102-56-7","Substance Name":"","SMILES":"COc1ccc(OC)c(N)c1"}
{"CAS":"102-60-3","Substance Name":"","SMILES":"CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O"}
{"CAS":"102-69-2","Substance Name":"","SMILES":"CCCN(CCC)CCC"}
{"CAS":"102-70-5","Substance Name":"","SMILES":"C=CCN(CC=C)CC=C"}
{"CAS":"102-71-6","Substance Name":"","SMILES":"OCCN(CCO)CCO"}
{"CAS":"102-76-1","Substance Name":"","SMILES":"CC(=O)OCC(COC(C)=O)OC(C)=O"}
{"CAS":"102-77-2","Substance Name":"","SMILES":"c1ccc2sc(SN3CCOCC3)nc2c1"}
{"CAS":"102-79-4","Substance Name":"","SMILES":"CCCCN(CCO)CCO"}
{"CAS":"102-81-8","Substance Name":"","SMILES":"CCCCN(CCO)CCCC"}
{"CAS":"102-82-9","Substance Name":"","SMILES":"CCCCN(CCCC)CCCC"}
{"CAS":"102-83-0","Substance Name":"","SMILES":"CCCCN(CCCC)CCCN"}
{"CAS":"102-84-1","Substance Name":"","SMILES":"C=CCOP(OCC=C)OCC=C"}
{"CAS":"102-85-2","Substance Name":"","SMILES":"CCCCOP(OCCCC)OCCCC"}
{"CAS":"103-00-4","Substance Name":"","SMILES":"CC(O)CNC1CCCCC1"}
{"CAS":"103-03-7","Substance Name":"","SMILES":"NC(=O)NNc1ccccc1"}
{"CAS":"103-05-9","Substance Name":"","SMILES":"CC(C)(O)CCc1ccccc1"}
{"CAS":"103-07-1","Substance Name":"","SMILES":"CC(=O)OC(C)(C)CCc1ccccc1"}
{"CAS":"103-08-2","Substance Name":"","SMILES":"CCCCC(CC)CCC(C)O"}
{"CAS":"103-09-3","Substance Name":"","SMILES":"CCCCC(CC)COC(C)=O"}
{"CAS":"103-11-7","Substance Name":"","SMILES":"C=CC(=O)OCC(CC)CCCC"}
{"CAS":"103-16-2","Substance Name":"","SMILES":"Oc1ccc(OCc2ccccc2)cc1"}
{"CAS":"103-17-3","Substance Name":"","SMILES":"Clc1ccc(CSc2ccc(Cl)cc2)cc1"}
{"CAS":"103-18-4","Substance Name":"","SMILES":"Nc1ccc(N=Nc2ccc(O)cc2)cc1"}
{"CAS":"103-23-1","Substance Name":"","SMILES":"CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC"}
{"CAS":"103-24-2","Substance Name":"","SMILES":"CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC"}
{"CAS":"103-26-4","Substance Name":"","SMILES":"COC(=O)C=Cc1ccccc1"}
{"CAS":"103-28-6","Substance Name":"","SMILES":"CC(C)C(=O)OCc1ccccc1"}
{"CAS":"103-29-7","Substance Name":"","SMILES":"c1ccc(CCc2ccccc2)cc1"}
{"CAS":"103-33-3","Substance Name":"Diazene, 1,2-diphenyl-","Registry Name":"Azobenzene","SMILES":"c1ccc(N=Nc2ccccc2)cc1"}
{"CAS":"103-34-4","Substance Name":"","SMILES":"C1CN(SSN2CCOCC2)CCO1"}
{"CAS":"103-36-6","Substance Name":"","SMILES":"CCOC(=O)C=Cc1ccccc1"}
{"CAS":"103-37-7","Substance Name":"","SMILES":"CCCC(=O)OCc1ccccc1"}
{"CAS":"103-38-8","Substance Name":"","SMILES":"CC(C)CC(=O)OCc1ccccc1"}
{"CAS":"103-41-3","Substance Name":"","SMILES":"O=C(C=Cc1ccccc1)OCc1ccccc1"}
{"CAS":"103-44-6","Substance Name":"","SMILES":"C=COCC(CC)CCCC"}
{"CAS":"103-45-7","Substance Name":"","SMILES":"CC(=O)OCCc1ccccc1"}
{"CAS":"103-48-0","Substance Name":"","SMILES":"CC(C)C(=O)OCCc1ccccc1"}
{"CAS":"103-50-4","Substance Name":"","SMILES":"c1ccc(COCc2ccccc2)cc1"}
{"CAS":"103-53-7","Substance Name":"","SMILES":"O=C(C=Cc1ccccc1)OCCc1ccccc1"}
{"CAS":"103-54-8","Substance Name":"","SMILES":"CC(=O)OCC=Cc1ccccc1"}
{"CAS":"103-56-0","Substance Name":"","SMILES":"CCC(=O)OCC=Cc1ccccc1"}
{"CAS":"103-59-3","Substance Name":"","SMILES":"CC(C)C(=O)OCC=Cc1ccccc1"}
{"CAS":"103-60-6","Substance Name":"","SMILES":"CC(C)C(=O)OCCOc1ccccc1"}
{"CAS":"103-62-8","Substance Name":"","SMILES":"CCCCNc1ccc(O)cc1"}
{"CAS":"103-63-9","Substance Name":"","SMILES":"BrCCc1ccccc1"}
{"CAS":"103-64-0","Substance Name":"","SMILES":"BrC=Cc1ccccc1"}
{"CAS":"103-65-1","Substance Name":"Benzene, propyl-","Registry Name":"n-Propylbenzene","SMILES":"CCCc1ccccc1"}
{"CAS":"103-69-5","Substance Name":"","SMILES":"CCNc1ccccc1"}
{"CAS":"103-71-9","Substance Name":"","SMILES":"O=C=Nc1ccccc1"}
{"CAS":"103-72-0","Substance Name":"","SMILES":"S=C=Nc1ccccc1"}
{"CAS":"103-73-1","Substance Name":"","SMILES":"CCOc1ccccc1"}
{"CAS":"103-74-2","Substance Name":"","SMILES":"OCCc1ccccn1"}
{"CAS":"103-75-3","Substance Name":"","SMILES":"CCOC1CCC=CO1"}
{"CAS":"103-76-4","Substance Name":"","SMILES":"OCCN1CCNCC1"}
{"CAS":"103-79-7","Substance Name":"","SMILES":"CC(=O)Cc1ccccc1"}
{"CAS":"103-81-1","Substance Name":"","SMILES":"NC(=O)Cc1ccccc1"}
{"CAS":"103-82-2","Substance Name":"","SMILES":"O=C(O)Cc1ccccc1"}
{"CAS":"103-84-4","Substance Name":"","SMILES":"CC(=O)Nc1ccccc1"}
{"CAS":"103-85-5","Substance Name":"","SMILES":"NC(=S)Nc1ccccc1"}
{"CAS":"103-88-8","Substance Name":"","SMILES":"CC(=O)Nc1ccc(Br)cc1"}
{"CAS":"103-89-9","Substance Name":"","SMILES":"CC(=O)Nc1ccc(C)cc1"}
{"CAS":"103-90-2","Substance Name":"","SMILES":"CC(=O)Nc1ccc(O)cc1"}
{"CAS":"103-95-7","Substance Name":"","SMILES":"CC(C=O)Cc1ccc(C(C)C)cc1"}
{"CAS":"104-01-8","Substance Name":"","SMILES":"COc1ccc(CC(=O)O)cc1"}
{"CAS":"104-03-0","Substance Name":"","SMILES":"O=C(O)Cc1ccc([N+](=O)[O-])cc1"}
{"CAS":"104-06-3","Substance Name":"","SMILES":"CC(=O)Nc1ccc(C=NNC(N)=S)cc1"}
{"CAS":"104-12-1","Substance Name":"","SMILES":"O=C=Nc1ccc(Cl)cc1"}
{"CAS":"104-13-2","Substance Name":"","SMILES":"CCCCc1ccc(N)cc1"}
{"CAS":"104-14-3","Substance Name":"","SMILES":"NCC(O)c1ccc(O)cc1"}
{"CAS":"104-16-5","Substance Name":"","SMILES":"CN1CCN(CCCCl)CC1"}
{"CAS":"104-20-1","Substance Name":"","SMILES":"COc1ccc(CCC(C)=O)cc1"}
{"CAS":"104-27-8","Substance Name":"","SMILES":"CCC(=O)C=Cc1ccc(OC)cc1"}
{"CAS":"104-29-0","Substance Name":"","SMILES":"OCC(O)COc1ccc(Cl)cc1"}
{"CAS":"104-31-4","Substance Name":"","SMILES":"CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1"}
{"CAS":"104-40-5","Substance Name":"","SMILES":"CCCCCCCCCc1ccc(O)cc1"}
{"CAS":"104-45-0","Substance Name":"","SMILES":"CCCc1ccc(OC)cc1"}
{"CAS":"104-46-1","Substance Name":"","SMILES":"CC=Cc1ccc(OC)cc1"}
{"CAS":"104-47-2","Substance Name":"","SMILES":"COc1ccc(CC#N)cc1"}
{"CAS":"104-50-7","Substance Name":"","SMILES":"CCCCC1CCC(=O)O1"}
{"CAS":"104-53-0","Substance Name":"","SMILES":"O=CCCc1ccccc1"}
{"CAS":"104-54-1","Substance Name":"","SMILES":"OCC=Cc1ccccc1"}
{"CAS":"104-55-2","Substance Name":"","SMILES":"O=CC=Cc1ccccc1"}
{"CAS":"104-57-4","Substance Name":"","SMILES":"O=COCc1ccccc1"}
{"CAS":"104-58-5","Substance Name":"","SMILES":"OCCCN1CCCCC1"}
{"CAS":"104-61-0","Substance Name":"","SMILES":"CCCCCC1CCC(=O)O1"}
{"CAS":"104-62-1","Substance Name":"","SMILES":"O=COCCc1ccccc1"}
{"CAS":"104-64-3","Substance Name":"","SMILES":"O=COCCCc1ccccc1"}
{"CAS":"104-65-4","Substance Name":"","SMILES":"O=COCC=Cc1ccccc1"}
{"CAS":"104-67-6","Substance Name":"","SMILES":"CCCCCCCC1CCC(=O)O1"}
{"CAS":"104-68-7","Substance Name":"","SMILES":"OCCOCCOc1ccccc1"}
{"CAS":"104-74-5","Substance Name":"","SMILES":"CCCCCCCCCCCC[n+]1ccccc1"}
{"CAS":"104-75-6","Substance Name":"","SMILES":"CCCCC(CC)CN"}
{"CAS":"104-76-7","Substance Name":"","SMILES":"CCCCC(CC)CO"}
{"CAS":"104-78-9","Substance Name":"","SMILES":"CCN(CC)CCCN"}
{"CAS":"104-82-5","Substance Name":"","SMILES":"Cc1ccc(CCl)cc1"}
{"CAS":"104-83-6","Substance Name":"","SMILES":"ClCc1ccc(Cl)cc1"}
{"CAS":"104-85-8","Substance Name":"","SMILES":"Cc1ccc(C#N)cc1"}
{"CAS":"104-87-0","Substance Name":"","SMILES":"Cc1ccc(C=O)cc1"}
{"CAS":"104-88-1","Substance Name":"","SMILES":"O=Cc1ccc(Cl)cc1"}
{"CAS":"104-89-2","Substance Name":"","SMILES":"CCC1CCC(C)NC1"}
{"CAS":"104-90-5","Substance Name":"","SMILES":"CCc1ccc(C)nc1"}
{"CAS":"104-92-7","Substance Name":"","SMILES":"COc1ccc(Br)cc1"}
{"CAS":"104-93-8","Substance Name":"","SMILES":"COc1ccc(C)cc1"}
{"CAS":"104-94-9","Substance Name":"","SMILES":"COc1ccc(N)cc1"}
{"CAS":"104-96-1","Substance Name":"","SMILES":"CSc1ccc(N)cc1"}
{"CAS":"104-98-3","Substance Name":"","SMILES":"O=C(O)C=Cc1cnc[nH]1"}
{"CAS":"105-01-1","Substance Name":"","SMILES":"CC(C)COC(=O)CCc1ccco1"}
{"CAS":"105-07-7","Substance Name":"","SMILES":"N#Cc1ccc(C=O)cc1"}
{"CAS":"105-08-8","Substance Name":"","SMILES":"OCC1CCC(CO)CC1"}
{"CAS":"105-11-3","Substance Name":"","SMILES":"ON=C1C=CC(=NO)C=C1"}
{"CAS":"105-12-4","Substance Name":"","SMILES":"O=Nc1ccc(N=O)cc1"}
{"CAS":"105-13-5","Substance Name":"","SMILES":"COc1ccc(CO)cc1"}
{"CAS":"105-14-6","Substance Name":"","SMILES":"CCN(CC)CCCC(C)=O"}
{"CAS":"105-16-8","Substance Name":"","SMILES":"C=C(C)C(=O)OCCN(CC)CC"}
{"CAS":"105-18-0","Substance Name":"","SMILES":"CCN(CC)CC#CCN(CC)CC"}
{"CAS":"105-21-5","Substance Name":"","SMILES":"CCCC1CCC(=O)O1"}
{"CAS":"105-28-2","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCCCC1=NCCN1"}
{"CAS":"105-30-6","Substance Name":"","SMILES":"CCCC(C)CO"}
{"CAS":"105-31-7","Substance Name":"","SMILES":"C#CC(O)CCC"}
{"CAS":"105-34-0","Substance Name":"","SMILES":"COC(=O)CC#N"}
{"CAS":"105-37-3","Substance Name":"","SMILES":"CCOC(=O)CC"}
{"CAS":"105-38-4","Substance Name":"","SMILES":"C=COC(=O)CC"}
{"CAS":"105-39-5","Substance Name":"","SMILES":"CCOC(=O)CCl"}
{"CAS":"105-40-8","Substance Name":"","SMILES":"CCOC(=O)NC"}
{"CAS":"105-41-9","Substance Name":"","SMILES":"CCC(C)CC(C)N"}
{"CAS":"105-44-2","Substance Name":"","SMILES":"CC(CC(C)C)=NO"}
{"CAS":"105-45-3","Substance Name":"","SMILES":"COC(=O)CC(C)=O"}
{"CAS":"105-46-4","Substance Name":"","SMILES":"CCC(C)OC(C)=O"}
{"CAS":"105-52-2","Substance Name":"","SMILES":"CC(C)CC(C)OC(=O)C=CC(=O)OC(C)CC(C)C"}
{"CAS":"105-53-3","Substance Name":"","SMILES":"CCOC(=O)CC(=O)OCC"}
{"CAS":"105-54-4","Substance Name":"","SMILES":"CCCC(=O)OCC"}
{"CAS":"105-55-5","Substance Name":"","SMILES":"CCNC(=S)NCC"}
{"CAS":"105-56-6","Substance Name":"","SMILES":"CCOC(=O)CC#N"}
{"CAS":"105-57-7","Substance Name":"","SMILES":"CCOC(C)OCC"}
{"CAS":"105-58-8","Substance Name":"","SMILES":"CCOC(=O)OCC"}
{"CAS":"105-59-9","Substance Name":"","SMILES":"CN(CCO)CCO"}
{"CAS":"105-60-2","Substance Name":"","SMILES":"O=C1CCCCCN1"}
{"CAS":"105-61-3","Substance Name":"","SMILES":"NC(=O)NC(=O)C=CC(=O)O"}
{"CAS":"105-64-6","Substance Name":"","SMILES":"CC(C)OC(=O)OOC(=O)OC(C)C"}
{"CAS":"105-66-8","Substance Name":"","SMILES":"CCCOC(=O)CCC"}
{"CAS":"105-67-9","Substance Name":"Phenol, 2,4-dimethyl-","Registry Name":"2,4-Dimethylphenol","SMILES":"Cc1ccc(O)c(C)c1"}
{"CAS":"105-68-0","Substance Name":"","SMILES":"CCC(=O)OCCC(C)C"}
{"CAS":"105-76-0","Substance Name":"","SMILES":"CCCCOC(=O)C=CC(=O)OCCCC"}
{"CAS":"105-77-1","Substance Name":"","SMILES":"CCCCOC(=S)SSC(=S)OCCCC"}
{"CAS":"105-81-7","Substance Name":"","SMILES":"C=CCNC(=S)NCCO"}
{"CAS":"105-82-8","Substance Name":"","SMILES":"CCCOC(C)OCCC"}
{"CAS":"105-85-1","Substance Name":"","SMILES":"CC(C)=CCCC(C)CCOC=O"}
{"CAS":"105-86-2","Substance Name":"","SMILES":"CC(C)=CCCC(C)=CCOC=O"}
{"CAS":"105-87-3","Substance Name":"","SMILES":"CC(=O)OCC=C(C)CCC=C(C)C"}
{"CAS":"105-89-5","Substance Name":"","SMILES":"C=C(C)CCCC(C)CCOC(=O)CC"}
{"CAS":"105-90-8","Substance Name":"","SMILES":"CCC(=O)OCC=C(C)CCC=C(C)C"}
{"CAS":"105-99-7","Substance Name":"","SMILES":"CCCCOC(=O)CCCCC(=O)OCCCC"}
{"CAS":"106-02-5","Substance Name":"","SMILES":"O=C1CCCCCCCCCCCCCCO1"}
{"CAS":"106-11-6","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OCCOCCO"}
{"CAS":"106-20-7","Substance Name":"","SMILES":"CCCCC(CC)CNCC(CC)CCCC"}
{"CAS":"106-21-8","Substance Name":"","SMILES":"CC(C)CCCC(C)CCO"}
{"CAS":"106-22-9","Substance Name":"","SMILES":"CC(C)=CCCC(C)CCO"}
{"CAS":"106-23-0","Substance Name":"","SMILES":"CC(C)=CCCC(C)CC=O"}
{"CAS":"106-24-1","Substance Name":"","SMILES":"CC(C)=CCCC(C)=CCO"}
{"CAS":"106-27-4","Substance Name":"","SMILES":"CCCC(=O)OCCC(C)C"}
{"CAS":"106-29-6","Substance Name":"","SMILES":"CCCC(=O)OCC=C(C)CCC=C(C)C"}
{"CAS":"106-30-9","Substance Name":"","SMILES":"CCCCCCC(=O)OCC"}
{"CAS":"106-31-0","Substance Name":"","SMILES":"CCCC(=O)OC(=O)CCC"}
{"CAS":"106-32-1","Substance Name":"","SMILES":"CCCCCCCC(=O)OCC"}
{"CAS":"106-35-4","Substance Name":"","SMILES":"CCCCC(=O)CC"}
{"CAS":"106-36-5","Substance Name":"","SMILES":"CCCOC(=O)CC"}
{"CAS":"106-37-6","Substance Name":"","SMILES":"Brc1ccc(Br)cc1"}
{"CAS":"106-38-7","Substance Name":"","SMILES":"Cc1ccc(Br)cc1"}
{"CAS":"106-40-1","Substance Name":"","SMILES":"Nc1ccc(Br)cc1"}
{"CAS":"106-41-2","Substance Name":"","SMILES":"Oc1ccc(Br)cc1"}
{"CAS":"106-42-3","Substance Name":"Benzene, 1,4-dimethyl-","Registry Name":"p-Xylene","SMILES":"Cc1ccc(C)cc1"}
{"CAS":"106-43-4","Substance Name":"","SMILES":"Cc1ccc(Cl)cc1"}
{"CAS":"106-44-5","Substance Name":"Phenol, 4-methyl-","Registry Name":"p-Cresol","SMILES":"Cc1ccc(O)cc1"}
{"CAS":"106-45-6","Substance Name":"","SMILES":"Cc1ccc(S)cc1"}
{"CAS":"106-46-7","Substance Name":"Benzene, 1,4-dichloro-","Registry Name":"p-Dichlorobenzene","SMILES":"Clc1ccc(Cl)cc1"}
{"CAS":"106-47-8","Substance Name":"Benzenamine, 4-chloro-","Registry Name":"p-Chloroaniline","SMILES":"Nc1ccc(Cl)cc1"}
{"CAS":"106-48-9","Substance Name":"Phenol, 4-chloro-","Registry Name":"p-Chlorophenol","SMILES":"Oc1ccc(Cl)cc1"}
{"CAS":"106-49-0","Substance Name":"","SMILES":"Cc1ccc(N)cc1"}
{"CAS":"106-51-4","Substance Name":"","SMILES":"O=C1C=CC(=O)C=C1"}
{"CAS":"106-54-7","Substance Name":"","SMILES":"Sc1ccc(Cl)cc1"}
{"CAS":"106-55-8","Substance Name":"","SMILES":"CC1CNC(C)CN1"}
{"CAS":"106-58-1","Substance Name":"","SMILES":"CN1CCN(C)CC1"}
{"CAS":"106-61-6","Substance Name":"","SMILES":"CC(=O)OCC(O)CO"}
{"CAS":"106-63-8","Substance Name":"","SMILES":"C=CC(=O)OCC(C)C"}
{"CAS":"106-65-0","Substance Name":"","SMILES":"COC(=O)CCC(=O)OC"}
{"CAS":"106-67-2","Substance Name":"","SMILES":"CCC(CO)CC(C)C"}
{"CAS":"106-68-3","Substance Name":"","SMILES":"CCCCCC(=O)CC"}
{"CAS":"106-69-4","Substance Name":"","SMILES":"OCCCCC(O)CO"}
{"CAS":"106-70-7","Substance Name":"","SMILES":"CCCCCC(=O)OC"}
{"CAS":"106-71-8","Substance Name":"","SMILES":"C=CC(=O)OCCC#N"}
{"CAS":"106-72-9","Substance Name":"","SMILES":"CC(C)=CCCC(C)C=O"}
{"CAS":"106-73-0","Substance Name":"","SMILES":"CCCCCCC(=O)OC"}
{"CAS":"106-74-1","Substance Name":"","SMILES":"C=CC(=O)OCCOCC"}
{"CAS":"106-75-2","Substance Name":"","SMILES":"O=C(Cl)OCCOCCOC(=O)Cl"}
{"CAS":"106-88-7","Substance Name":"","SMILES":"CCC1CO1"}
{"CAS":"106-89-8","Substance Name":"","SMILES":"ClCC1CO1"}
{"CAS":"106-90-1","Substance Name":"","SMILES":"C=CC(=O)OCC1CO1"}
{"CAS":"106-91-2","Substance Name":"","SMILES":"C=C(C)C(=O)OCC1CO1"}
{"CAS":"106-92-3","Substance Name":"","SMILES":"C=CCOCC1CO1"}
{"CAS":"106-93-4","Substance Name":"Ethane, 1,2-dibromo-","Registry Name":"Ethylene dibromide","SMILES":"BrCCBr"}
{"CAS":"106-94-5","Substance Name":"","SMILES":"CCCBr"}
{"CAS":"106-95-6","Substance Name":"","SMILES":"C=CCBr"}
{"CAS":"106-96-7","Substance Name":"","SMILES":"C#CCBr"}
{"CAS":"106-99-0","Substance Name":"1,3-Butadiene","Registry Name":"1,3-Butadiene","SMILES":"C=CC=C"}
{"CAS":"107-02-8","Substance Name":"2-Propenal","Registry Name":"Acrolein","SMILES":"C=CC=O"}
{"CAS":"107-03-9","Substance Name":"","SMILES":"CCCS"}
{"CAS":"107-04-0","Substance Name":"","SMILES":"ClCCBr"}
{"CAS":"107-05-1","Substance Name":"","SMILES":"C=CCCl"}
{"CAS":"107-06-2","Substance Name":"Ethane, 1,2-dichloro-","Registry Name":"1,2-Dichloroethane","SMILES":"ClCCCl"}
{"CAS":"107-07-3","Substance Name":"","SMILES":"OCCCl"}
{"CAS":"107-08-4","Substance Name":"","SMILES":"CCCI"}
{"CAS":"107-10-8","Substance Name":"","SMILES":"CCCN"}
{"CAS":"107-11-9","Substance Name":"","SMILES":"C=CCN"}
{"CAS":"107-12-0","Substance Name":"","SMILES":"CCC#N"}
{"CAS":"107-13-1","Substance Name":"2-Propenenitrile","Registry Name":"Acrylonitrile","SMILES":"C=CC#N"}
{"CAS":"107-14-2","Substance Name":"","SMILES":"N#CCCl"}
{"CAS":"107-15-3","Substance Name":"","SMILES":"NCCN"}
{"CAS":"107-16-4","Substance Name":"","SMILES":"N#CCO"}
{"CAS":"107-18-6","Substance Name":"2-Propen-1-ol","Registry Name":"Allyl Alcohol","SMILES":"C=CCO"}
{"CAS":"107-19-7","Substance Name":"","SMILES":"C#CCO"}
{"CAS":"107-20-0","Substance Name":"","SMILES":"O=CCCl"}
{"CAS":"107-21-1","Substance Name":"1,2-Ethanediol","Registry Name":"Ethylene glycol","SMILES":"OCCO"}
{"CAS":"107-22-2","Substance Name":"","SMILES":"O=CC=O"}
{"CAS":"107-25-5","Substance Name":"","SMILES":"C=COC"}
{"CAS":"107-27-7","Substance Name":"","SMILES":"CC[Hg]Cl"}
{"CAS":"107-29-9","Substance Name":"","SMILES":"CC=NO"}
{"CAS":"107-31-3","Substance Name":"","SMILES":"COC=O"}
{"CAS":"107-35-7","Substance Name":"","SMILES":"NCCS(=O)(=O)O"}
{"CAS":"107-36-8","Substance Name":"","SMILES":"O=S(=O)(O)CCO"}
{"CAS":"107-37-9","Substance Name":"","SMILES":"C=CC[Si](Cl)(Cl)Cl"}
{"CAS":"107-41-5","Substance Name":"","SMILES":"CC(O)CC(C)(C)O"}
{"CAS":"107-43-7","Substance Name":"","SMILES":"C[N+](C)(C)CC(=O)O"}
{"CAS":"107-44-8","Substance Name":"","SMILES":"CC(C)OP(C)(=O)F"}
{"CAS":"107-45-9","Substance Name":"","SMILES":"CC(C)(C)CC(C)(C)N"}
{"CAS":"107-46-0","Substance Name":"","SMILES":"C[Si](C)(C)O[Si](C)(C)C"}
{"CAS":"107-49-3","Substance Name":"","SMILES":"CCOP(=O)(OCC)OP(=O)(OCC)OCC"}
{"CAS":"107-56-2","Substance Name":"","SMILES":"CC(C)OP(=S)(S)OC(C)C"}
{"CAS":"107-58-4","Substance Name":"","SMILES":"C=CC(=O)NC(C)(C)C"}
{"CAS":"107-59-5","Substance Name":"","SMILES":"CC(C)(C)OC(=O)CCl"}
{"CAS":"107-61-9","Substance Name":"","SMILES":"O=S1(=O)CCOCC1"}
{"CAS":"107-64-2","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC"}
{"CAS":"107-66-4","Substance Name":"","SMILES":"CCCCOP(=O)(O)OCCCC"}
{"CAS":"107-69-7","Substance Name":"","SMILES":"NC(=O)OCC(Cl)(Cl)Cl"}
{"CAS":"107-70-0","Substance Name":"","SMILES":"COC(C)(C)CC(C)=O"}
{"CAS":"107-71-1","Substance Name":"","SMILES":"CC(=O)OOC(C)(C)C"}
{"CAS":"107-72-2","Substance Name":"","SMILES":"CCCCC[Si](Cl)(Cl)Cl"}
{"CAS":"107-74-4","Substance Name":"","SMILES":"CC(CCO)CCCC(C)(C)O"}
{"CAS":"107-75-5","Substance Name":"","SMILES":"CC(CC=O)CCCC(C)(C)O"}
{"CAS":"107-81-3","Substance Name":"","SMILES":"CCCC(C)Br"}
{"CAS":"107-82-4","Substance Name":"","SMILES":"CC(C)CCBr"}
{"CAS":"107-87-9","Substance Name":"","SMILES":"CCCC(C)=O"}
{"CAS":"107-88-0","Substance Name":"","SMILES":"CC(O)CCO"}
{"CAS":"107-89-1","Substance Name":"","SMILES":"CC(O)CC=O"}
{"CAS":"107-91-5","Substance Name":"","SMILES":"N#CCC(N)=O"}
{"CAS":"107-92-6","Substance Name":"Butanoic acid","Registry Name":"Butyric acid","SMILES":"CCCC(=O)O"}
{"CAS":"107-96-0","Substance Name":"","SMILES":"O=C(O)CCS"}
{"CAS":"107-98-2","Substance Name":"","SMILES":"COCC(C)O"}
{"CAS":"108-00-9","Substance Name":"","SMILES":"CN(C)CCN"}
{"CAS":"108-01-0","Substance Name":"","SMILES":"CN(C)CCO"}
{"CAS":"108-03-2","Substance Name":"","SMILES":"CCC[N+](=O)[O-]"}
{"CAS":"108-05-4","Substance Name":"Acetic acid ethenyl ester","Registry Name":"Vinyl acetate","SMILES":"C=COC(C)=O"}
{"CAS":"108-09-8","Substance Name":"","SMILES":"CC(C)CC(C)N"}
{"CAS":"108-10-1","Substance Name":"2-Pentanone, 4-methyl-","Registry Name":"Methyl isobutyl ketone","SMILES":"CC(=O)CC(C)C"}
{"CAS":"108-11-2","Substance Name":"","SMILES":"CC(C)CC(C)O"}
{"CAS":"108-13-4","Substance Name":"","SMILES":"NC(=O)CC(N)=O"}
{"CAS":"108-16-7","Substance Name":"","SMILES":"CC(O)CN(C)C"}
{"CAS":"108-18-9","Substance Name":"","SMILES":"CC(C)NC(C)C"}
{"CAS":"108-20-3","Substance Name":"Propane, 2,2'-oxybis-","Registry Name":"Isopropyl ether","SMILES":"CC(C)OC(C)C"}
{"CAS":"108-21-4","Substance Name":"","SMILES":"CC(=O)OC(C)C"}
{"CAS":"108-22-5","Substance Name":"","SMILES":"C=C(C)OC(C)=O"}
{"CAS":"108-23-6","Substance Name":"","SMILES":"CC(C)OC(=O)Cl"}
{"CAS":"108-24-7","Substance Name":"","SMILES":"CC(=O)OC(C)=O"}
{"CAS":"108-29-2","Substance Name":"","SMILES":"CC1CCC(=O)O1"}
{"CAS":"108-30-5","Substance Name":"","SMILES":"O=C1CCC(=O)O1"}
{"CAS":"108-31-6","Substance Name":"","SMILES":"O=C1C=CC(=O)O1"}
{"CAS":"108-32-7","Substance Name":"","SMILES":"CC1COC(=O)O1"}
{"CAS":"108-33-8","Substance Name":"","SMILES":"Cc1nnc(N)s1"}
{"CAS":"108-34-9","Substance Name":"","SMILES":"CCOP(=O)(OCC)Oc1cc(C)[nH]n1"}
{"CAS":"108-35-0","Substance Name":"","SMILES":"CCOP(=S)(OCC)Oc1cc(C)[nH]n1"}
{"CAS":"108-36-1","Substance Name":"","SMILES":"Brc1cccc(Br)c1"}
{"CAS":"108-39-4","Substance Name":"Phenol, 3-methyl-","Registry Name":"m-Cresol","SMILES":"Cc1cccc(O)c1"}
{"CAS":"108-40-7","Substance Name":"","SMILES":"Cc1cccc(S)c1"}
{"CAS":"108-42-9","Substance Name":"","SMILES":"Nc1cccc(Cl)c1"}
{"CAS":"108-43-0","Substance Name":"","SMILES":"Oc1cccc(Cl)c1"}
{"CAS":"108-44-1","Substance Name":"","SMILES":"Cc1cccc(N)c1"}
{"CAS":"108-45-2","Substance Name":"","SMILES":"Nc1cccc(N)c1"}
{"CAS":"108-46-3","Substance Name":"","SMILES":"Oc1cccc(O)c1"}
{"CAS":"108-47-4","Substance Name":"","SMILES":"Cc1ccnc(C)c1"}
{"CAS":"108-48-5","Substance Name":"","SMILES":"Cc1cccc(C)n1"}
{"CAS":"108-50-9","Substance Name":"","SMILES":"Cc1cncc(C)n1"}
{"CAS":"108-52-1","Substance Name":"","SMILES":"Cc1ccnc(N)n1"}
{"CAS":"108-55-4","Substance Name":"","SMILES":"O=C1CCCC(=O)O1"}
{"CAS":"108-58-7","Substance Name":"","SMILES":"CC(=O)Oc1cccc(OC(C)=O)c1"}
{"CAS":"108-59-8","Substance Name":"","SMILES":"COC(=O)CC(=O)OC"}
{"CAS":"108-60-1","Substance Name":"Propane, 2,2'-oxybis[1-chloro-","Registry Name":"Bis(2-chloro-1-methylethyl) ether","SMILES":"CC(CCl)OC(C)CCl"}
{"CAS":"108-62-3","Substance Name":"","SMILES":"CC1OC(C)OC(C)OC(C)O1"}
{"CAS":"108-64-5","Substance Name":"","SMILES":"CCOC(=O)CC(C)C"}
{"CAS":"108-65-6","Substance Name":"","SMILES":"COCC(C)OC(C)=O"}
{"CAS":"108-68-9","Substance Name":"","SMILES":"Cc1cc(C)cc(O)c1"}
{"CAS":"108-69-0","Substance Name":"","SMILES":"Cc1cc(C)cc(N)c1"}
{"CAS":"108-70-3","Substance Name":"","SMILES":"Clc1cc(Cl)cc(Cl)c1"}
{"CAS":"108-73-6","Substance Name":"","SMILES":"Oc1cc(O)cc(O)c1"}
{"CAS":"108-74-7","Substance Name":"","SMILES":"CN1CN(C)CN(C)C1"}
{"CAS":"108-75-8","Substance Name":"","SMILES":"Cc1cc(C)nc(C)c1"}
{"CAS":"108-77-0","Substance Name":"","SMILES":"Clc1nc(Cl)nc(Cl)n1"}
{"CAS":"108-78-1","Substance Name":"","SMILES":"Nc1nc(N)nc(N)n1"}
{"CAS":"108-82-7","Substance Name":"","SMILES":"CC(C)CC(O)CC(C)C"}
{"CAS":"108-83-8","Substance Name":"","SMILES":"CC(C)CC(=O)CC(C)C"}
{"CAS":"108-84-9","Substance Name":"","SMILES":"CC(=O)OC(C)CC(C)C"}
{"CAS":"108-86-1","Substance Name":"","SMILES":"Brc1ccccc1"}
{"CAS":"108-87-2","Substance Name":"","SMILES":"CC1CCCCC1"}
{"CAS":"108-88-3","Substance Name":"Benzene, methyl-","Registry Name":"Toluene","SMILES":"Cc1ccccc1"}
{"CAS":"108-89-4","Substance Name":"","SMILES":"Cc1ccncc1"}
{"CAS":"108-90-7","Substance Name":"Benzene, chloro-","Registry Name":"Chlorobenzene","SMILES":"Clc1ccccc1"}
{"CAS":"108-91-8","Substance Name":"","SMILES":"NC1CCCCC1"}
{"CAS":"108-93-0","Substance Name":"","SMILES":"OC1CCCCC1"}
{"CAS":"108-94-1","Substance Name":"Cyclohexanone","Registry Name":"Cyclohexanone","SMILES":"O=C1CCCCC1"}
{"CAS":"108-98-5","Substance Name":"","SMILES":"Sc1ccccc1"}
{"CAS":"108-99-6","Substance Name":"","SMILES":"Cc1cccnc1"}
{"CAS":"109-00-2","Substance Name":"","SMILES":"Oc1cccnc1"}
{"CAS":"109-01-3","Substance Name":"","SMILES":"CN1CCNCC1"}
{"CAS":"109-02-4","Substance Name":"","SMILES":"CN1CCOCC1"}
{"CAS":"109-06-8","Substance Name":"Pyridine, 2-methyl-","Registry Name":"2-Methylpyridine","SMILES":"Cc1ccccn1"}
{"CAS":"109-07-9","Substance Name":"","SMILES":"CC1CNCCN1"}
{"CAS":"109-08-0","Substance Name":"","SMILES":"Cc1cnccn1"}
{"CAS":"109-09-1","Substance Name":"","SMILES":"Clc1ccccn1"}
{"CAS":"109-12-6","Substance Name":"","SMILES":"Nc1ncccn1"}
{"CAS":"109-15-9","Substance Name":"","SMILES":"CCCCCCCCOC(=O)C(C)C"}
{"CAS":"109-16-0","Substance Name":"","SMILES":"C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C"}
{"CAS":"109-17-1","Substance Name":"","SMILES":"C=C(C)C(=O)OCCOCCOCCOCCOC(=O)C(=C)C"}
{"CAS":"109-19-3","Substance Name":"","SMILES":"CCCCOC(=O)CC(C)C"}
{"CAS":"109-21-7","Substance Name":"","SMILES":"CCCCOC(=O)CCC"}
{"CAS":"109-29-5","Substance Name":"","SMILES":"O=C1CCCCCCCCCCCCCCCO1"}
{"CAS":"109-31-9","Substance Name":"","SMILES":"CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC"}
{"CAS":"109-42-2","Substance Name":"","SMILES":"C=CCCCCCCCCC(=O)OCCCC"}
{"CAS":"109-43-3","Substance Name":"Decanedioic acid, 1,10-dibutyl ester","Registry Name":"Dibutyl sebacate","SMILES":"CCCCOC(=O)CCCCCCCCC(=O)OCCCC"}
{"CAS":"109-46-6","Substance Name":"","SMILES":"CCCCNC(=S)NCCCC"}
{"CAS":"109-52-4","Substance Name":"","SMILES":"CCCCC(=O)O"}
{"CAS":"109-55-7","Substance Name":"","SMILES":"CN(C)CCCN"}
{"CAS":"109-57-9","Substance Name":"","SMILES":"C=CCNC(N)=S"}
{"CAS":"109-59-1","Substance Name":"","SMILES":"CC(C)OCCO"}
{"CAS":"109-60-4","Substance Name":"","SMILES":"CCCOC(C)=O"}
{"CAS":"109-61-5","Substance Name":"","SMILES":"CCCOC(=O)Cl"}
{"CAS":"109-64-8","Substance Name":"","SMILES":"BrCCCBr"}
{"CAS":"109-65-9","Substance Name":"","SMILES":"CCCCBr"}
{"CAS":"109-66-0","Substance Name":"Pentane","Registry Name":"Pentane","SMILES":"CCCCC"}
{"CAS":"109-69-3","Substance Name":"","SMILES":"CCCCCl"}
{"CAS":"109-70-6","Substance Name":"","SMILES":"ClCCCBr"}
{"CAS":"109-71-7","Substance Name":"","SMILES":"ClCC#CI"}
{"CAS":"109-73-9","Substance Name":"","SMILES":"CCCCN"}
{"CAS":"109-74-0","Substance Name":"","SMILES":"CCCC#N"}
{"CAS":"109-75-1","Substance Name":"","SMILES":"C=CCC#N"}
{"CAS":"109-76-2","Substance Name":"","SMILES":"NCCCN"}
{"CAS":"109-77-3","Substance Name":"","SMILES":"N#CCC#N"}
{"CAS":"109-78-4","Substance Name":"","SMILES":"N#CCCO"}
{"CAS":"109-79-5","Substance Name":"","SMILES":"CCCCS"}
{"CAS":"109-80-8","Substance Name":"","SMILES":"SCCCS"}
{"CAS":"109-81-9","Substance Name":"","SMILES":"CNCCN"}
{"CAS":"109-82-0","Substance Name":"","SMILES":"C=NCC#N"}
{"CAS":"109-83-1","Substance Name":"","SMILES":"CNCCO"}
{"CAS":"109-84-2","Substance Name":"","SMILES":"NNCCO"}
{"CAS":"109-85-3","Substance Name":"","SMILES":"COCCN"}
{"CAS":"109-86-4","Substance Name":"","SMILES":"COCCO"}
{"CAS":"109-87-5","Substance Name":"","SMILES":"COCOC"}
{"CAS":"109-90-0","Substance Name":"","SMILES":"CCN=C=O"}
{"CAS":"109-94-4","Substance Name":"","SMILES":"CCOC=O"}
{"CAS":"109-97-7","Substance Name":"","SMILES":"c1cc[nH]c1"}
{"CAS":"109-99-9","Substance Name":"Furan, tetrahydro-","Registry Name":"Tetrahydrofuran","SMILES":"C1CCOC1"}
{"CAS":"110-00-9","Substance Name":"Furan","Registry Name":"Furan","SMILES":"c1ccoc1"}
{"CAS":"110-01-0","Substance Name":"","SMILES":"C1CCSC1"}
{"CAS":"110-02-1","Substance Name":"","SMILES":"c1ccsc1"}
{"CAS":"110-05-4","Substance Name":"","SMILES":"CC(C)(C)OOC(C)(C)C"}
{"CAS":"110-12-3","Substance Name":"","SMILES":"CC(=O)CCC(C)C"}
{"CAS":"110-13-4","Substance Name":"","SMILES":"CC(=O)CCC(C)=O"}
{"CAS":"110-17-8","Substance Name":"","SMILES":"O=C(O)C=CC(=O)O"}
{"CAS":"110-18-9","Substance Name":"","SMILES":"CN(C)CCN(C)C"}
{"CAS":"110-19-0","Substance Name":"","SMILES":"CC(=O)OCC(C)C"}
{"CAS":"110-20-3","Substance Name":"","SMILES":"CC(C)=NNC(N)=O"}
{"CAS":"110-21-4","Substance Name":"","SMILES":"NC(=O)NNC(N)=O"}
{"CAS":"110-26-9","Substance Name":"","SMILES":"C=CC(=O)NCNC(=O)C=C"}
{"CAS":"110-27-0","Substance Name":"","SMILES":"CCCCCCCCCCCCCC(=O)OC(C)C"}
{"CAS":"110-32-7","Substance Name":"","SMILES":"CCCCCCOCCOC(=O)CCCCC(=O)OCCOCCCCCC"}
{"CAS":"110-33-8","Substance Name":"","SMILES":"CCCCCCOC(=O)CCCCC(=O)OCCCCCC"}
{"CAS":"110-36-1","Substance Name":"","SMILES":"CCCCCCCCCCCCCC(=O)OCCCC"}
{"CAS":"110-40-7","Substance Name":"","SMILES":"CCOC(=O)CCCCCCCCC(=O)OCC"}
{"CAS":"110-41-8","Substance Name":"","SMILES":"CCCCCCCCCC(C)C=O"}
{"CAS":"110-43-0","Substance Name":"","SMILES":"CCCCCC(C)=O"}
{"CAS":"110-44-1","Substance Name":"","SMILES":"CC=CC=CC(=O)O"}
{"CAS":"110-45-2","Substance Name":"","SMILES":"CC(C)CCOC=O"}
{"CAS":"110-46-3","Substance Name":"","SMILES":"CC(C)CCON=O"}
{"CAS":"110-48-5","Substance Name":"","SMILES":"CC(C)OCCCO"}
{"CAS":"110-49-6","Substance Name":"","SMILES":"COCCOC(C)=O"}
{"CAS":"110-51-0","Substance Name":"","SMILES":"[BH3-][n+]1ccccc1"}
{"CAS":"110-52-1","Substance Name":"","SMILES":"BrCCCCBr"}
{"CAS":"110-53-2","Substance Name":"","SMILES":"CCCCCBr"}
{"CAS":"110-54-3","Substance Name":"Hexane","Registry Name":"Hexane","SMILES":"CCCCCC"}
{"CAS":"110-59-8","Substance Name":"","SMILES":"CCCCC#N"}
{"CAS":"110-61-2","Substance Name":"","SMILES":"N#CCCC#N"}
{"CAS":"110-62-3","Substance Name":"","SMILES":"CCCCC=O"}
{"CAS":"110-63-4","Substance Name":"","SMILES":"OCCCCO"}
{"CAS":"110-64-5","Substance Name":"","SMILES":"OCC=CCO"}
{"CAS":"110-65-6","Substance Name":"","SMILES":"OCC#CCO"}
{"CAS":"110-66-7","Substance Name":"","SMILES":"CCCCCS"}
{"CAS":"110-67-8","Substance Name":"","SMILES":"COCCC#N"}
{"CAS":"110-68-9","Substance Name":"","SMILES":"CCCCNC"}
{"CAS":"110-69-0","Substance Name":"","SMILES":"CCCC=NO"}
{"CAS":"110-70-3","Substance Name":"","SMILES":"CNCCNC"}
{"CAS":"110-71-4","Substance Name":"","SMILES":"COCCOC"}
{"CAS":"110-73-6","Substance Name":"","SMILES":"CCNCCO"}
{"CAS":"110-74-7","Substance Name":"","SMILES":"CCCOC=O"}
{"CAS":"110-75-8","Substance Name":"Ethene, (2-chloroethoxy)-","Registry Name":"2-Chloroethyl vinyl ether","SMILES":"C=COCCCl"}
{"CAS":"110-78-1","Substance Name":"","SMILES":"CCCN=C=O"}
{"CAS":"110-80-5","Substance Name":"","SMILES":"CCOCCO"}
{"CAS":"110-81-6","Substance Name":"","SMILES":"CCSSCC"}
{"CAS":"110-82-7","Substance Name":"Cyclohexane","Registry Name":"Cyclohexane","SMILES":"C1CCCCC1"}
{"CAS":"110-83-8","Substance Name":"","SMILES":"C1=CCCCC1"}
{"CAS":"110-86-1","Substance Name":"Pyridine","Registry Name":"Pyridine","SMILES":"c1ccncc1"}
{"CAS":"110-91-8","Substance Name":"","SMILES":"C1COCCN1"}
{"CAS":"110-93-0","Substance Name":"","SMILES":"CC(=O)CCC=C(C)C"}
{"CAS":"110-94-1","Substance Name":"","SMILES":"O=C(O)CCCC(=O)O"}
{"CAS":"110-95-2","Substance Name":"","SMILES":"CN(C)CCCN(C)C"}
{"CAS":"110-96-3","Substance Name":"","SMILES":"CC(C)CNCC(C)C"}
{"CAS":"110-97-4","Substance Name":"","SMILES":"CC(O)CNCC(C)O"}
{"CAS":"110-98-5","Substance Name":"","SMILES":"CC(O)COCC(C)O"}
{"CAS":"111-02-4","Substance Name":"","SMILES":"CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C"}
{"CAS":"111-10-4","Substance Name":"","SMILES":"CCCCCCCCC=CCCCCCCCC(=O)OCCOC"}
{"CAS":"111-12-6","Substance Name":"","SMILES":"CCCCCC#CC(=O)OC"}
{"CAS":"111-13-7","Substance Name":"","SMILES":"CCCCCCC(C)=O"}
{"CAS":"111-14-8","Substance Name":"","SMILES":"CCCCCCC(=O)O"}
{"CAS":"111-15-9","Substance Name":"","SMILES":"CCOCCOC(C)=O"}
{"CAS":"111-16-0","Substance Name":"","SMILES":"O=C(O)CCCCCC(=O)O"}
{"CAS":"111-17-1","Substance Name":"","SMILES":"O=C(O)CCSCCC(=O)O"}
{"CAS":"111-18-2","Substance Name":"","SMILES":"CN(C)CCCCCCN(C)C"}
{"CAS":"111-19-3","Substance Name":"","SMILES":"O=C(Cl)CCCCCCCCC(=O)Cl"}
{"CAS":"111-20-6","Substance Name":"","SMILES":"O=C(O)CCCCCCCCC(=O)O"}
{"CAS":"111-22-8","Substance Name":"","SMILES":"O=[N+]([O-])OCCOCCOCCO[N+](=O)[O-]"}
{"CAS":"111-25-1","Substance Name":"","SMILES":"CCCCCCBr"}
{"CAS":"111-26-2","Substance Name":"","SMILES":"CCCCCCN"}
{"CAS":"111-27-3","Substance Name":"","SMILES":"CCCCCCO"}
{"CAS":"111-29-5","Substance Name":"","SMILES":"OCCCCCO"}
{"CAS":"111-30-8","Substance Name":"","SMILES":"O=CCCCC=O"}
{"CAS":"111-31-9","Substance Name":"","SMILES":"CCCCCCS"}
{"CAS":"111-34-2","Substance Name":"","SMILES":"C=COCCCC"}
{"CAS":"111-35-3","Substance Name":"","SMILES":"CCOCCCO"}
{"CAS":"111-36-4","Substance Name":"","SMILES":"CCCCN=C=O"}
{"CAS":"111-40-0","Substance Name":"","SMILES":"NCCNCCN"}
{"CAS":"111-41-1","Substance Name":"","SMILES":"NCCNCCO"}
{"CAS":"111-42-2","Substance Name":"","SMILES":"OCCNCCO"}
{"CAS":"111-43-3","Substance Name":"","SMILES":"CCCOCCC"}
{"CAS":"111-44-4","Substance Name":"Ethane, 1,1'-oxybis[2-chloro-","Registry Name":"Bis(2-chloroethyl) ether","SMILES":"ClCCOCCCl"}
{"CAS":"111-45-5","Substance Name":"","SMILES":"C=CCOCCO"}
{"CAS":"111-46-6","Substance Name":"","SMILES":"OCCOCCO"}
{"CAS":"111-48-8","Substance Name":"","SMILES":"OCCSCCO"}
{"CAS":"111-49-9","Substance Name":"","SMILES":"C1CCCNCC1"}
{"CAS":"111-51-3","Substance Name":"","SMILES":"CN(C)CCCCN(C)C"}
{"CAS":"111-53-5","Substance Name":"","SMILES":"CN(C)CC#CCN(C)C"}
{"CAS":"111-55-7","Substance Name":"","SMILES":"CC(=O)OCCOC(C)=O"}
{"CAS":"111-60-4","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OCCO"}
{"CAS":"111-61-5","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OCC"}
{"CAS":"111-62-6","Substance Name":"","SMILES":"CCCCCCCCC=CCCCCCCCC(=O)OCC"}
{"CAS":"111-68-2","Substance Name":"","SMILES":"CCCCCCCN"}
{"CAS":"111-69-3","Substance Name":"","SMILES":"N#CCCCCC#N"}
{"CAS":"111-70-6","Substance Name":"","SMILES":"CCCCCCCO"}
{"CAS":"111-73-9","Substance Name":"","SMILES":"CCOCCCCO"}
{"CAS":"111-75-1","Substance Name":"","SMILES":"CCCCNCCO"}
{"CAS":"111-76-2","Substance Name":"Ethanol, 2-butoxy-","Registry Name":"Ethylene glycol monobutyl ether","SMILES":"CCCCOCCO"}
{"CAS":"111-77-3","Substance Name":"","SMILES":"COCCOCCO"}
{"CAS":"111-80-8","Substance Name":"","SMILES":"CCCCCCC#CC(=O)OC"}
{"CAS":"111-84-2","Substance Name":"","SMILES":"CCCCCCCCC"}
{"CAS":"111-86-4","Substance Name":"","SMILES":"CCCCCCCCN"}
{"CAS":"111-87-5","Substance Name":"","SMILES":"CCCCCCCCO"}
{"CAS":"111-90-0","Substance Name":"","SMILES":"CCOCCOCCO"}
{"CAS":"111-91-1","Substance Name":"Ethane, 1,1'-[methylenebis(oxy)]bis[2-chloro-","Registry Name":"Bis(2-chloroethoxy)methane","SMILES":"ClCCOCOCCCl"}
{"CAS":"111-92-2","Substance Name":"","SMILES":"CCCCNCCCC"}
{"CAS":"111-94-4","Substance Name":"","SMILES":"N#CCCNCCC#N"}
{"CAS":"111-96-6","Substance Name":"","SMILES":"COCCOCCOC"}
{"CAS":"111-97-7","Substance Name":"","SMILES":"N#CCCSCCC#N"}
{"CAS":"112-05-0","Substance Name":"","SMILES":"CCCCCCCCC(=O)O"}
{"CAS":"112-06-1","Substance Name":"","SMILES":"CCCCCCCOC(C)=O"}
{"CAS":"112-07-2","Substance Name":"Ethanol, 2-butoxy-, 1-acetate","Registry Name":"Ethylene glycol monobutyl ether acetate","SMILES":"CCCCOCCOC(C)=O"}
{"CAS":"112-09-4","Substance Name":"","SMILES":"CCCCCCCCC=CCCCCCCCC(O)=CC(C)=O"}
{"CAS":"112-12-9","Substance Name":"","SMILES":"CCCCCCCCCC(C)=O"}
{"CAS":"112-14-1","Substance Name":"","SMILES":"CCCCCCCCOC(C)=O"}
{"CAS":"112-15-2","Substance Name":"","SMILES":"CCOCCOCCOC(C)=O"}
{"CAS":"112-17-4","Substance Name":"","SMILES":"CCCCCCCCCCOC(C)=O"}
{"CAS":"112-24-3","Substance Name":"","SMILES":"NCCNCCNCCN"}
{"CAS":"112-25-4","Substance Name":"","SMILES":"CCCCCCOCCO"}
{"CAS":"112-26-5","Substance Name":"","SMILES":"ClCCOCCOCCCl"}
{"CAS":"112-27-6","Substance Name":"","SMILES":"OCCOCCOCCO"}
{"CAS":"112-29-8","Substance Name":"","SMILES":"CCCCCCCCCCBr"}
{"CAS":"112-30-1","Substance Name":"","SMILES":"CCCCCCCCCCO"}
{"CAS":"112-31-2","Substance Name":"","SMILES":"CCCCCCCCCC=O"}
{"CAS":"112-32-3","Substance Name":"","SMILES":"CCCCCCCCOC=O"}
{"CAS":"112-33-4","Substance Name":"","SMILES":"NCCCOCCOCCO"}
{"CAS":"112-34-5","Substance Name":"","SMILES":"CCCCOCCOCCO"}
{"CAS":"112-36-7","Substance Name":"","SMILES":"CCOCCOCCOCC"}
{"CAS":"112-37-8","Substance Name":"","SMILES":"CCCCCCCCCCC(=O)O"}
{"CAS":"112-38-9","Substance Name":"","SMILES":"C=CCCCCCCCCC(=O)O"}
{"CAS":"112-42-5","Substance Name":"","SMILES":"CCCCCCCCCCCO"}
{"CAS":"112-43-6","Substance Name":"","SMILES":"C=CCCCCCCCCCO"}
{"CAS":"112-45-8","Substance Name":"","SMILES":"C=CCCCCCCCCC=O"}
{"CAS":"112-48-1","Substance Name":"","SMILES":"CCCCOCCOCCCC"}
{"CAS":"112-50-5","Substance Name":"","SMILES":"CCOCCOCCOCCO"}
{"CAS":"112-53-8","Substance Name":"","SMILES":"CCCCCCCCCCCCO"}
{"CAS":"112-54-9","Substance Name":"","SMILES":"CCCCCCCCCCCC=O"}
{"CAS":"112-56-1","Substance Name":"","SMILES":"CCCCOCCOCCSC#N"}
{"CAS":"112-58-3","Substance Name":"","SMILES":"CCCCCCOCCCCCC"}
{"CAS":"112-59-4","Substance Name":"","SMILES":"CCCCCCOCCOCCO"}
{"CAS":"112-60-7","Substance Name":"","SMILES":"OCCOCCOCCOCCO"}
{"CAS":"112-70-9","Substance Name":"","SMILES":"CCCCCCCCCCCCCO"}
{"CAS":"112-72-1","Substance Name":"","SMILES":"CCCCCCCCCCCCCCO"}
{"CAS":"112-73-2","Substance Name":"","SMILES":"CCCCOCCOCCOCCCC"}
{"CAS":"112-76-5","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCCCC(=O)Cl"}
{"CAS":"112-80-1","Substance Name":"","SMILES":"CCCCCCCCC=CCCCCCCCC(=O)O"}
{"CAS":"112-90-3","Substance Name":"","SMILES":"CCCCCCCCC=CCCCCCCCCN"}
{"CAS":"112-91-4","Substance Name":"","SMILES":"CCCCCCCCC=CCCCCCCCC#N"}
{"CAS":"112-92-5","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCCCCO"}
{"CAS":"112-96-9","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCCCCN=C=O"}
{"CAS":"112-98-1","Substance Name":"","SMILES":"CCCCOCCOCCOCCOCCOCCCC"}
{"CAS":"113-00-8","Substance Name":"","SMILES":"N=C(N)N"}
{"CAS":"113-15-5","Substance Name":"","SMILES":"CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)CC21"}
{"CAS":"113-18-8","Substance Name":"","SMILES":"C#CC(O)(C=CCl)CC"}
{"CAS":"113-42-8","Substance Name":"","SMILES":"CCC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1"}
{"CAS":"113-45-1","Substance Name":"","SMILES":"COC(=O)C(c1ccccc1)C1CCCCN1"}
{"CAS":"113-48-4","Substance Name":"","SMILES":"CCCCC(CC)CN1C(=O)C2C3C=CC(C3)C2C1=O"}
{"CAS":"113-69-9","Substance Name":"","SMILES":"CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O"}
{"CAS":"113-73-5","Substance Name":"","SMILES":"CC(C)CC1NC(=O)C(CCCN)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)NC(=O)C(CCCN)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC1=O"}
{"CAS":"113-98-4","Substance Name":"","SMILES":"CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O"}
{"CAS":"114-26-1","Substance Name":"","SMILES":"CNC(=O)Oc1ccccc1OC(C)C"}
{"CAS":"114-42-1","Substance Name":"","SMILES":"CCCC(=O)c1c(O)c(C)c(O)c(CC2C(=O)C(=C(O)CCC)C(=O)C(C)(C)C2=O)c1O"}
{"CAS":"114-49-8","Substance Name":"","SMILES":"CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12"}
{"CAS":"114-80-7","Substance Name":"","SMILES":"CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1"}
{"CAS":"114-83-0","Substance Name":"","SMILES":"CC(=O)NNc1ccccc1"}
{"CAS":"114-90-9","Substance Name":"","SMILES":"ON=Cc1cc[n+](COC[n+]2ccc(C=NO)cc2)cc1"}
{"CAS":"115-02-6","Substance Name":"","SMILES":"N#[N+][CH-]C(=O)OCC(N)C(=O)O"}
{"CAS":"115-09-3","Substance Name":"","SMILES":"C[Hg]Cl"}
{"CAS":"115-17-3","Substance Name":"","SMILES":"O=CC(Br)(Br)Br"}
{"CAS":"115-18-4","Substance Name":"","SMILES":"C=CC(C)(C)O"}
{"CAS":"115-19-5","Substance Name":"","SMILES":"C#CC(C)(C)O"}
{"CAS":"115-21-9","Substance Name":"","SMILES":"CC[Si](Cl)(Cl)Cl"}
{"CAS":"115-26-4","Substance Name":"","SMILES":"CN(C)P(=O)(F)N(C)C"}
{"CAS":"115-27-5","Substance Name":"","SMILES":"O=C1OC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"}
{"CAS":"115-29-7","Substance Name":"","SMILES":"O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"}
{"CAS":"115-31-1","Substance Name":"","SMILES":"CC1(C)C2CCC1(C)C(OC(=O)CSC#N)C2"}
{"CAS":"115-32-2","Substance Name":"","SMILES":"OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl"}
{"CAS":"115-33-3","Substance Name":"","SMILES":"CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1"}
{"CAS":"115-38-8","Substance Name":"","SMILES":"CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O"}
{"CAS":"115-43-5","Substance Name":"","SMILES":"C=CCC1(c2ccccc2)C(=O)NC(=O)NC1=O"}
{"CAS":"115-44-6","Substance Name":"","SMILES":"C=CCC1(C(C)CC)C(=O)NC(=O)NC1=O"}
{"CAS":"115-46-8","Substance Name":"","SMILES":"OC(c1ccccc1)(c1ccccc1)C1CCNCC1"}
{"CAS":"115-51-5","Substance Name":"","SMILES":"CC[N+](C)(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1"}
{"CAS":"115-53-7","Substance Name":"","SMILES":"COC1=CC2C3Cc4ccc(OC)c(O)c4C2(CCN3C)CC1=O"}
{"CAS":"115-58-2","Substance Name":"","SMILES":"CCCCCC1(CC)C(=O)NC(=O)NC1=O"}
{"CAS":"115-59-3","Substance Name":"","SMILES":"CCCCSCC1(CC)C(=O)NC(=S)NC1=O"}
{"CAS":"115-67-3","Substance Name":"","SMILES":"CCC1(C)OC(=O)N(C)C1=O"}
{"CAS":"115-69-5","Substance Name":"","SMILES":"CC(N)(CO)CO"}
{"CAS":"115-71-9","Substance Name":"","SMILES":"CC(=CCCC1(C)C2CC3C(C2)C31C)CO"}
{"CAS":"115-76-4","Substance Name":"","SMILES":"CCC(CC)(CO)CO"}
{"CAS":"115-77-5","Substance Name":"","SMILES":"OCC(CO)(CO)CO"}
{"CAS":"115-78-6","Substance Name":"","SMILES":"CCCC[P+](CCCC)(CCCC)Cc1ccc(Cl)cc1Cl"}
{"CAS":"115-79-7","Substance Name":"","SMILES":"CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl"}
{"CAS":"115-84-4","Substance Name":"","SMILES":"CCCCC(CC)(CO)CO"}
{"CAS":"115-86-6","Substance Name":"","SMILES":"O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1"}
{"CAS":"115-90-2","Substance Name":"","SMILES":"CCOP(=S)(OCC)Oc1ccc(S(C)=O)cc1"}
{"CAS":"115-91-3","Substance Name":"","SMILES":"COP(=S)(OC)Oc1ccc(S(C)=O)cc1"}
{"CAS":"115-92-4","Substance Name":"","SMILES":"COP(=O)(OC)Oc1ccc(S(N)(=O)=O)cc1"}
{"CAS":"115-93-5","Substance Name":"","SMILES":"COP(=S)(OC)Oc1ccc(S(N)(=O)=O)cc1"}
{"CAS":"115-95-7","Substance Name":"","SMILES":"C=CC(C)(CCC=C(C)C)OC(C)=O"}
{"CAS":"115-96-8","Substance Name":"","SMILES":"O=P(OCCCl)(OCCCl)OCCCl"}
{"CAS":"115-98-0","Substance Name":"","SMILES":"C=CP(=O)(OCCCl)OCCCl"}
{"CAS":"115-99-1","Substance Name":"","SMILES":"C=CC(C)(CCC=C(C)C)OC=O"}
{"CAS":"116-01-8","Substance Name":"","SMILES":"CCNC(=O)CSP(=S)(OC)OC"}
{"CAS":"116-02-9","Substance Name":"","SMILES":"CC1CC(O)CC(C)(C)C1"}
{"CAS":"116-06-3","Substance Name":"","SMILES":"CNC(=O)ON=CC(C)(C)SC"}
{"CAS":"116-09-6","Substance Name":"","SMILES":"CC(=O)CO"}
{"CAS":"116-16-5","Substance Name":"","SMILES":"O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"}
{"CAS":"116-17-6","Substance Name":"","SMILES":"CC(C)OP(OC(C)C)OC(C)C"}
{"CAS":"116-29-0","Substance Name":"","SMILES":"O=S(=O)(c1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl"}
{"CAS":"116-43-8","Substance Name":"","SMILES":"O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1"}
{"CAS":"116-52-9","Substance Name":"","SMILES":"O=C(NC(O)C(Cl)(Cl)Cl)NC(O)C(Cl)(Cl)Cl"}
{"CAS":"116-66-5","Substance Name":"","SMILES":"Cc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C"}
{"CAS":"116-71-2","Substance Name":"","SMILES":"O=c1c2ccccc2c2ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc1c2c73)c4c65"}
{"CAS":"116-85-8","Substance Name":"","SMILES":"Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O"}
{"CAS":"116-90-5","Substance Name":"","SMILES":"O=C1c2ccccc2-c2cccc3c(-c4ccc5c6c(cccc46)-c4ccccc4C5=O)ccc1c23"}
{"CAS":"117-05-5","Substance Name":"","SMILES":"O=C(Nc1cccc2c1C(=O)c1cccc(Cl)c1C2=O)c1ccccc1"}
{"CAS":"117-08-8","Substance Name":"","SMILES":"O=C1OC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21"}
{"CAS":"117-10-2","Substance Name":"","SMILES":"O=C1c2cccc(O)c2C(=O)c2c(O)cccc21"}
{"CAS":"117-14-6","Substance Name":"","SMILES":"O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2cccc(S(=O)(=O)O)c21"}
{"CAS":"117-18-0","Substance Name":"","SMILES":"O=[N+]([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl"}
{"CAS":"117-26-0","Substance Name":"","SMILES":"CCC(C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[N+](=O)[O-]"}
{"CAS":"117-27-1","Substance Name":"","SMILES":"CC(C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[N+](=O)[O-]"}
{"CAS":"117-34-0","Substance Name":"","SMILES":"O=C(O)C(c1ccccc1)c1ccccc1"}
{"CAS":"117-37-3","Substance Name":"","SMILES":"COc1ccc(C2C(=O)c3ccccc3C2=O)cc1"}
{"CAS":"117-39-5","Substance Name":"","SMILES":"O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12"}
{"CAS":"117-51-1","Substance Name":"","SMILES":"CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1"}
{"CAS":"117-52-2","Substance Name":"","SMILES":"CC(=O)CC(c1ccco1)c1c(O)c2ccccc2oc1=O"}
{"CAS":"117-55-5","Substance Name":"","SMILES":"Nc1ccc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12"}
{"CAS":"117-62-4","Substance Name":"","SMILES":"Nc1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O"}
{"CAS":"117-79-3","Substance Name":"","SMILES":"Nc1ccc2c(c1)C(=O)c1ccccc1C2=O"}
{"CAS":"117-80-6","Substance Name":"","SMILES":"O=C1C(Cl)=C(Cl)C(=O)c2ccccc21"}
{"CAS":"117-81-7","Substance Name":"1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester","Registry Name":"Di(2-ethylhexyl) phthalate","SMILES":"CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC"}
{"CAS":"117-82-8","Substance Name":"","SMILES":"COCCOC(=O)c1ccccc1C(=O)OCCOC"}
{"CAS":"117-83-9","Substance Name":"","SMILES":"CCCCOCCOC(=O)c1ccccc1C(=O)OCCOCCCC"}
{"CAS":"117-84-0","Substance Name":"1,2-Benzenedicarboxylic acid, 1,2-dioctyl ester","Registry Name":"Di-n-octyl phthalate","SMILES":"CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC"}
{"CAS":"117-89-5","Substance Name":"","SMILES":"CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1"}
{"CAS":"118-00-3","Substance Name":"","SMILES":"Nc1nc(=O)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1"}
{"CAS":"118-02-5","Substance Name":"","SMILES":"O=Nc1ccc(O)c(N=O)c1O"}
{"CAS":"118-03-6","Substance Name":"","SMILES":"Nc1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O"}
{"CAS":"118-08-1","Substance Name":"","SMILES":"COc1ccc2c(c1OC)C(=O)OC2C1c2cc3c(cc2CCN1C)OCO3"}
{"CAS":"118-10-5","Substance Name":"","SMILES":"C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12"}
{"CAS":"118-12-7","Substance Name":"","SMILES":"C=C1N(C)c2ccccc2C1(C)C"}
{"CAS":"118-13-8","Substance Name":"","SMILES":"O=C(O)c1c(O)cnc2ccccc12"}
{"CAS":"118-28-5","Substance Name":"","SMILES":"CCOc1cc(N)c2ccc(S(=O)(=O)O)cc2c1"}
{"CAS":"118-33-2","Substance Name":"","SMILES":"Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1"}
{"CAS":"118-42-3","Substance Name":"","SMILES":"CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12"}
{"CAS":"118-46-7","Substance Name":"","SMILES":"Nc1cccc2ccc(O)cc12"}
{"CAS":"118-52-5","Substance Name":"","SMILES":"CC1(C)C(=O)N(Cl)C(=O)N1Cl"}
{"CAS":"118-53-6","Substance Name":"","SMILES":"CCC=CCC(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O"}
{"CAS":"118-55-8","Substance Name":"","SMILES":"O=C(Oc1ccccc1)c1ccccc1O"}
{"CAS":"118-58-1","Substance Name":"","SMILES":"O=C(OCc1ccccc1)c1ccccc1O"}
{"CAS":"118-60-5","Substance Name":"","SMILES":"CCCCC(CC)COC(=O)c1ccccc1O"}
{"CAS":"118-61-6","Substance Name":"","SMILES":"CCOC(=O)c1ccccc1O"}
{"CAS":"118-71-8","Substance Name":"","SMILES":"Cc1occc(=O)c1O"}
{"CAS":"118-74-1","Substance Name":"Benzene, 1,2,3,4,5,6-hexachloro-","Registry Name":"Hexachlorobenzene","SMILES":"Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"}
{"CAS":"118-75-2","Substance Name":"","SMILES":"O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl"}
{"CAS":"118-79-6","Substance Name":"","SMILES":"Oc1c(Br)cc(Br)cc1Br"}
{"CAS":"118-82-1","Substance Name":"","SMILES":"CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O"}
{"CAS":"118-90-1","Substance Name":"","SMILES":"Cc1ccccc1C(=O)O"}
{"CAS":"118-91-2","Substance Name":"","SMILES":"O=C(O)c1ccccc1Cl"}
{"CAS":"118-92-3","Substance Name":"","SMILES":"Nc1ccccc1C(=O)O"}
{"CAS":"118-93-4","Substance Name":"","SMILES":"CC(=O)c1ccccc1O"}
{"CAS":"118-95-6","Substance Name":"","SMILES":"CC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O"}
{"CAS":"118-96-7","Substance Name":"Benzene, 2-methyl-1,3,5-trinitro-","Registry Name":"Trinitrotoluene","SMILES":"Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]"}
{"CAS":"119-12-0","Substance Name":"","SMILES":"CCOP(=S)(OCC)Oc1ccc(=O)n(-c2ccccc2)n1"}
{"CAS":"119-15-3","Substance Name":"","SMILES":"O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)c([N+](=O)[O-])c1"}
{"CAS":"119-21-1","Substance Name":"","SMILES":"COc1cc(OC)c([N+](=O)[O-])cc1Cl"}
{"CAS":"119-26-6","Substance Name":"","SMILES":"NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]"}
{"CAS":"119-32-4","Substance Name":"","SMILES":"Cc1ccc(N)cc1[N+](=O)[O-]"}
{"CAS":"119-33-5","Substance Name":"","SMILES":"Cc1ccc(O)c([N+](=O)[O-])c1"}
{"CAS":"119-34-6","Substance Name":"","SMILES":"Nc1ccc(O)c([N+](=O)[O-])c1"}
{"CAS":"119-36-8","Substance Name":"","SMILES":"COC(=O)c1ccccc1O"}
{"CAS":"119-38-0","Substance Name":"","SMILES":"Cc1cc(OC(=O)N(C)C)n(C(C)C)n1"}
{"CAS":"119-39-1","Substance Name":"","SMILES":"O=c1[nH]ncc2ccccc12"}
{"CAS":"119-41-5","Substance Name":"","SMILES":"CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1"}
{"CAS":"119-47-1","Substance Name":"","SMILES":"Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1"}
{"CAS":"119-48-2","Substance Name":"","SMILES":"CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1"}
{"CAS":"119-51-7","Substance Name":"","SMILES":"CC(=NO)C(=O)c1ccccc1"}
{"CAS":"119-53-9","Substance Name":"","SMILES":"O=C(c1ccccc1)C(O)c1ccccc1"}
{"CAS":"119-60-8","Substance Name":"","SMILES":"O=C(C1CCCCC1)C1CCCCC1"}
{"CAS":"119-61-9","Substance Name":"","SMILES":"O=C(c1ccccc1)c1ccccc1"}
{"CAS":"119-65-3","Substance Name":"","SMILES":"c1ccc2cnccc2c1"}
{"CAS":"119-67-5","Substance Name":"","SMILES":"O=Cc1ccccc1C(=O)O"}
{"CAS":"119-72-2","Substance Name":"","SMILES":"Nc1ccc(C=Cc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1"}
{"CAS":"119-79-9","Substance Name":"","SMILES":"Nc1cccc2cc(S(=O)(=O)O)ccc12"}
{"CAS":"119-80-2","Substance Name":"","SMILES":"O=C(O)c1ccccc1SSc1ccccc1C(=O)O"}
{"CAS":"119-81-3","Substance Name":"","SMILES":"COc1ccc(NC(C)=O)c([N+](=O)[O-])c1"}
{"CAS":"119-84-6","Substance Name":"","SMILES":"O=C1CCc2ccccc2O1"}
{"CAS":"119-89-1","Substance Name":"","SMILES":"CCCCCCC1=CC(=O)CC(c2ccc3c(c2)OCO3)C1"}
{"CAS":"119-90-4","Substance Name":"","SMILES":"COc1cc(-c2ccc(N)c(OC)c2)ccc1N"}
{"CAS":"120-02-5","Substance Name":"","SMILES":"NC(=O)Nc1ccc([As](SCC(=O)O)SCC(=O)O)cc1"}
{"CAS":"120-04-7","Substance Name":"","SMILES":"COc1ccc(Cl)cc1N=NN(C)CC(=O)O"}
{"CAS":"120-07-0","Substance Name":"","SMILES":"OCCN(CCO)c1ccccc1"}
{"CAS":"120-08-1","Substance Name":"","SMILES":"COc1cc2ccc(=O)oc2cc1OC"}
{"CAS":"120-11-6","Substance Name":"","SMILES":"CC=Cc1ccc(OCc2ccccc2)c(OC)c1"}
{"CAS":"120-12-7","Substance Name":"Anthracene","Registry Name":"Anthracene","SMILES":"c1ccc2cc3ccccc3cc2c1"}
{"CAS":"120-14-9","Substance Name":"","SMILES":"COc1ccc(C=O)cc1OC"}
{"CAS":"120-18-3","Substance Name":"","SMILES":"O=S(=O)(O)c1ccc2ccccc2c1"}
{"CAS":"120-21-8","Substance Name":"","SMILES":"CCN(CC)c1ccc(C=O)cc1"}
{"CAS":"120-23-0","Substance Name":"","SMILES":"O=C(O)COc1ccc2ccccc2c1"}
{"CAS":"120-29-6","Substance Name":"","SMILES":"CN1C2CCC1CC(O)C2"}
{"CAS":"120-32-1","Substance Name":"","SMILES":"Oc1ccc(Cl)cc1Cc1ccccc1"}
{"CAS":"120-34-3","Substance Name":"","SMILES":"Cc1ccc(C(=O)NS(=O)(=O)c2ccc(N)cc2)cc1C"}
{"CAS":"120-35-4","Substance Name":"","SMILES":"COc1ccc(C(=O)Nc2ccccc2)cc1N"}
{"CAS":"120-36-5","Substance Name":"","SMILES":"CC(Oc1ccc(Cl)cc1Cl)C(=O)O"}
{"CAS":"120-40-1","Substance Name":"","SMILES":"CCCCCCCCCCCC(=O)N(CCO)CCO"}
{"CAS":"120-43-4","Substance Name":"","SMILES":"CCOC(=O)N1CCNCC1"}
{"CAS":"120-45-6","Substance Name":"","SMILES":"CCC(=O)OC(C)c1ccccc1"}
{"CAS":"120-47-8","Substance Name":"","SMILES":"CCOC(=O)c1ccc(O)cc1"}
{"CAS":"120-49-0","Substance Name":"","SMILES":"CCN(CC)CCSC(=O)c1ccc(N)cc1"}
{"CAS":"120-50-3","Substance Name":"","SMILES":"CC(C)COC(=O)c1ccccc1"}
{"CAS":"120-51-4","Substance Name":"","SMILES":"O=C(OCc1ccccc1)c1ccccc1"}
{"CAS":"120-53-6","Substance Name":"","SMILES":"CCOc1ccc2[nH]c(=S)sc2c1"}
{"CAS":"120-54-7","Substance Name":"","SMILES":"S=C(SSSSC(=S)N1CCCCC1)N1CCCCC1"}
{"CAS":"120-55-8","Substance Name":"","SMILES":"O=C(OCCOCCOC(=O)c1ccccc1)c1ccccc1"}
{"CAS":"120-57-0","Substance Name":"","SMILES":"O=Cc1ccc2c(c1)OCO2"}
{"CAS":"120-58-1","Substance Name":"","SMILES":"CC=Cc1ccc2c(c1)OCO2"}
{"CAS":"120-59-2","Substance Name":"","SMILES":"CNC(=O)Oc1ccc2c(c1)CCC2"}
{"CAS":"120-60-5","Substance Name":"","SMILES":"CNC(=O)Oc1ccc2c(c1)OCO2"}
{"CAS":"120-61-6","Substance Name":"","SMILES":"COC(=O)c1ccc(C(=O)OC)cc1"}
{"CAS":"120-62-7","Substance Name":"","SMILES":"CCCCCCCCS(=O)C(C)Cc1ccc2c(c1)OCO2"}
{"CAS":"120-66-1","Substance Name":"","SMILES":"CC(=O)Nc1ccccc1C"}
{"CAS":"120-67-2","Substance Name":"","SMILES":"OCCOc1ccc(Cl)cc1Cl"}
{"CAS":"120-71-8","Substance Name":"","SMILES":"COc1ccc(C)cc1N"}
{"CAS":"120-72-9","Substance Name":"","SMILES":"c1ccc2[nH]ccc2c1"}
{"CAS":"120-73-0","Substance Name":"","SMILES":"c1ncc2[nH]cnc2n1"}
{"CAS":"120-75-2","Substance Name":"","SMILES":"Cc1nc2ccccc2s1"}
{"CAS":"120-78-5","Substance Name":"","SMILES":"c1ccc2sc(SSc3nc4ccccc4s3)nc2c1"}
{"CAS":"120-79-6","Substance Name":"","SMILES":"CNC(=S)C(=S)NC"}
{"CAS":"120-80-9","Substance Name":"","SMILES":"Oc1ccccc1O"}
{"CAS":"120-82-1","Substance Name":"Benzene, 1,2,4-trichloro-","Registry Name":"1,2,4-Trichlorobenzene","SMILES":"Clc1ccc(Cl)c(Cl)c1"}
{"CAS":"120-83-2","Substance Name":"Phenol, 2,4-dichloro-","Registry Name":"2,4-Dichlorophenol","SMILES":"Oc1ccc(Cl)cc1Cl"}
{"CAS":"120-86-5","Substance Name":"","SMILES":"OCCNC(=S)C(=S)NCCO"}
{"CAS":"120-88-7","Substance Name":"","SMILES":"CCCCCCCCCCCCNC(=S)C(=S)NCCCCCCCCCCCC"}
{"CAS":"120-92-3","Substance Name":"","SMILES":"O=C1CCCC1"}
{"CAS":"120-93-4","Substance Name":"","SMILES":"O=C1NCCN1"}
{"CAS":"120-94-5","Substance Name":"","SMILES":"CN1CCCC1"}
{"CAS":"120-95-6","Substance Name":"","SMILES":"CCC(C)(C)c1ccc(O)c(C(C)(C)CC)c1"}
{"CAS":"120-97-8","Substance Name":"","SMILES":"NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1"}
{"CAS":"121-00-6","Substance Name":"","SMILES":"COc1ccc(O)c(C(C)(C)C)c1"}
{"CAS":"121-02-8","Substance Name":"","SMILES":"Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl"}
{"CAS":"121-03-9","Substance Name":"","SMILES":"Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O"}
{"CAS":"121-05-1","Substance Name":"","SMILES":"CC(C)N(CCN)C(C)C"}
{"CAS":"121-06-2","Substance Name":"","SMILES":"Cc1cccc(C)c1OP(=O)(Oc1c(C)cccc1C)Oc1c(C)cccc1C"}
{"CAS":"121-14-2","Substance Name":"Benzene, 1-methyl-2,4-dinitro-","Registry Name":"2,4-Dinitrotoluene","SMILES":"Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]"}
{"CAS":"121-17-5","Substance Name":"","SMILES":"O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cl"}
{"CAS":"121-19-7","Substance Name":"","SMILES":"O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O"}
{"CAS":"121-21-1","Substance Name":"","SMILES":"C=CC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O"}
{"CAS":"121-29-9","Substance Name":"","SMILES":"C=CC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C(=O)OC)C2(C)C)CC1=O"}
{"CAS":"121-32-4","Substance Name":"","SMILES":"CCOc1cc(C=O)ccc1O"}
{"CAS":"121-33-5","Substance Name":"","SMILES":"COc1cc(C=O)ccc1O"}
{"CAS":"121-34-6","Substance Name":"","SMILES":"COc1cc(C(=O)O)ccc1O"}
{"CAS":"121-39-1","Substance Name":"","SMILES":"CCOC(=O)C1OC1c1ccccc1"}
{"CAS":"121-40-4","Substance Name":"","SMILES":"CC1=C(O)C(=O)C2OC2C1=O"}
{"CAS":"121-43-7","Substance Name":"","SMILES":"COB(OC)OC"}
{"CAS":"121-44-8","Substance Name":"","SMILES":"CCN(CC)CC"}
{"CAS":"121-45-9","Substance Name":"","SMILES":"COP(OC)OC"}
{"CAS":"121-46-0","Substance Name":"","SMILES":"C1=CC2C=CC1C2"}
{"CAS":"121-50-6","Substance Name":"","SMILES":"Nc1cc(C(F)(F)F)ccc1Cl"}
{"CAS":"121-54-0","Substance Name":"","SMILES":"CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1"}
{"CAS":"121-57-3","Substance Name":"","SMILES":"Nc1ccc(S(=O)(=O)O)cc1"}
{"CAS":"121-59-5","Substance Name":"","SMILES":"NC(=O)Nc1ccc([As](=O)(O)O)cc1"}
{"CAS":"121-60-8","Substance Name":"","SMILES":"CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1"}
{"CAS":"121-66-4","Substance Name":"","SMILES":"Nc1ncc([N+](=O)[O-])s1"}
{"CAS":"121-72-2","Substance Name":"","SMILES":"Cc1cccc(N(C)C)c1"}
{"CAS":"121-73-3","Substance Name":"","SMILES":"O=[N+]([O-])c1cccc(Cl)c1"}
{"CAS":"121-75-5","Substance Name":"","SMILES":"CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC"}
{"CAS":"121-79-9","Substance Name":"","SMILES":"CCCOC(=O)c1cc(O)c(O)c(O)c1"}
{"CAS":"121-81-3","Substance Name":"","SMILES":"NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1"}
{"CAS":"121-82-4","Substance Name":"1,3,5-Triazine, hexahydro-1,3,5-trinitro-","Registry Name":"Cyclonite","SMILES":"O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])C1"}
{"CAS":"121-87-9","Substance Name":"","SMILES":"Nc1ccc([N+](=O)[O-])cc1Cl"}
{"CAS":"121-88-0","Substance Name":"","SMILES":"Nc1ccc([N+](=O)[O-])cc1O"}
{"CAS":"121-89-1","Substance Name":"","SMILES":"CC(=O)c1cccc([N+](=O)[O-])c1"}
{"CAS":"121-91-5","Substance Name":"","SMILES":"O=C(O)c1cccc(C(=O)O)c1"}
{"CAS":"121-92-6","Substance Name":"","SMILES":"O=C(O)c1cccc([N+](=O)[O-])c1"}
{"CAS":"121-98-2","Substance Name":"","SMILES":"COC(=O)c1ccc(OC)cc1"}
{"CAS":"122-00-9","Substance Name":"","SMILES":"CC(=O)c1ccc(C)cc1"}
{"CAS":"122-03-2","Substance Name":"","SMILES":"CC(C)c1ccc(C=O)cc1"}
{"CAS":"122-04-3","Substance Name":"","SMILES":"O=C(Cl)c1ccc([N+](=O)[O-])cc1"}
{"CAS":"122-06-5","Substance Name":"","SMILES":"N=C(N)c1ccc(C=Cc2ccc(C(=N)N)cc2)cc1"}
{"CAS":"122-10-1","Substance Name":"","SMILES":"COC(=O)C=C(CC(=O)OC)OP(=O)(OC)OC"}
{"CAS":"122-11-2","Substance Name":"","SMILES":"COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1"}
{"CAS":"122-14-5","Substance Name":"","SMILES":"COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C)c1"}
{"CAS":"122-15-6","Substance Name":"","SMILES":"CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1"}
{"CAS":"122-17-8","Substance Name":"","SMILES":"CNS(=O)(=O)c1ccc(OP(=S)(OC)OC)cc1"}
{"CAS":"122-19-0","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1"}
{"CAS":"122-20-3","Substance Name":"","SMILES":"CC(O)CN(CC(C)O)CC(C)O"}
{"CAS":"122-31-6","Substance Name":"","SMILES":"CCOC(CC(OCC)OCC)OCC"}
{"CAS":"122-34-9","Substance Name":"","SMILES":"CCNc1nc(Cl)nc(NCC)n1"}
{"CAS":"122-37-2","Substance Name":"","SMILES":"Oc1ccc(Nc2ccccc2)cc1"}
{"CAS":"122-39-4","Substance Name":"","SMILES":"c1ccc(Nc2ccccc2)cc1"}
{"CAS":"122-40-7","Substance Name":"","SMILES":"CCCCCC(C=O)=Cc1ccccc1"}
{"CAS":"122-42-9","Substance Name":"","SMILES":"CC(C)OC(=O)Nc1ccccc1"}
{"CAS":"122-43-0","Substance Name":"","SMILES":"CCCCOC(=O)Cc1ccccc1"}
{"CAS":"122-48-5","Substance Name":"","SMILES":"COc1cc(CCC(C)=O)ccc1O"}
{"CAS":"122-51-0","Substance Name":"","SMILES":"CCOC(OCC)OCC"}
{"CAS":"122-52-1","Substance Name":"","SMILES":"CCOP(OCC)OCC"}
{"CAS":"122-56-5","Substance Name":"","SMILES":"CCCCB(CCCC)CCCC"}
{"CAS":"122-57-6","Substance Name":"","SMILES":"CC(=O)C=Cc1ccccc1"}
{"CAS":"122-59-8","Substance Name":"","SMILES":"O=C(O)COc1ccccc1"}
{"CAS":"122-60-1","Substance Name":"","SMILES":"c1ccc(OCC2CO2)cc1"}
{"CAS":"122-63-4","Substance Name":"","SMILES":"CCC(=O)OCc1ccccc1"}
{"CAS":"122-65-6","Substance Name":"","SMILES":"S=C(NCc1ccccc1)C(=S)NCc1ccccc1"}
{"CAS":"122-68-9","Substance Name":"","SMILES":"O=C(C=Cc1ccccc1)OCCCc1ccccc1"}
{"CAS":"122-69-0","Substance Name":"","SMILES":"O=C(C=Cc1ccccc1)OCC=Cc1ccccc1"}
{"CAS":"122-70-3","Substance Name":"","SMILES":"CCC(=O)OCCc1ccccc1"}
{"CAS":"122-72-5","Substance Name":"","SMILES":"CC(=O)OCCCc1ccccc1"}
{"CAS":"122-74-7","Substance Name":"","SMILES":"CCC(=O)OCCCc1ccccc1"}
{"CAS":"122-78-1","Substance Name":"","SMILES":"O=CCc1ccccc1"}
{"CAS":"122-80-5","Substance Name":"","SMILES":"CC(=O)Nc1ccc(N)cc1"}
{"CAS":"122-82-7","Substance Name":"","SMILES":"CCOc1ccc(NC(=O)CC(C)=O)cc1"}
{"CAS":"122-84-9","Substance Name":"","SMILES":"COc1ccc(CC(C)=O)cc1"}
{"CAS":"122-88-3","Substance Name":"","SMILES":"O=C(O)COc1ccc(Cl)cc1"}
{"CAS":"122-97-4","Substance Name":"","SMILES":"OCCCc1ccccc1"}
{"CAS":"122-98-5","Substance Name":"","SMILES":"OCCNc1ccccc1"}
{"CAS":"122-99-6","Substance Name":"","SMILES":"OCCOc1ccccc1"}
{"CAS":"123-00-2","Substance Name":"","SMILES":"NCCCN1CCOCC1"}
{"CAS":"123-03-5","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCC[n+]1ccccc1"}
{"CAS":"123-04-6","Substance Name":"","SMILES":"CCCCC(CC)CCl"}
{"CAS":"123-05-7","Substance Name":"","SMILES":"CCCCC(C=O)CC"}
{"CAS":"123-06-8","Substance Name":"","SMILES":"CCOC=C(C#N)C#N"}
{"CAS":"123-07-9","Substance Name":"","SMILES":"CCc1ccc(O)cc1"}
{"CAS":"123-08-0","Substance Name":"","SMILES":"O=Cc1ccc(O)cc1"}
{"CAS":"123-09-1","Substance Name":"","SMILES":"CSc1ccc(Cl)cc1"}
{"CAS":"123-11-5","Substance Name":"","SMILES":"COc1ccc(C=O)cc1"}
{"CAS":"123-15-9","Substance Name":"","SMILES":"CCCC(C)C=O"}
{"CAS":"123-17-1","Substance Name":"","SMILES":"CC(C)CC(C)CC(O)CC(C)C"}
{"CAS":"123-20-6","Substance Name":"","SMILES":"C=COC(=O)CCC"}
{"CAS":"123-25-1","Substance Name":"","SMILES":"CCOC(=O)CCC(=O)OCC"}
{"CAS":"123-28-4","Substance Name":"","SMILES":"CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC"}
{"CAS":"123-29-5","Substance Name":"","SMILES":"CCCCCCCCC(=O)OCC"}
{"CAS":"123-30-8","Substance Name":"","SMILES":"Nc1ccc(O)cc1"}
{"CAS":"123-31-9","Substance Name":"","SMILES":"Oc1ccc(O)cc1"}
{"CAS":"123-32-0","Substance Name":"","SMILES":"Cc1cnc(C)cn1"}
{"CAS":"123-33-1","Substance Name":"","SMILES":"O=c1ccc(=O)[nH][nH]1"}
{"CAS":"123-34-2","Substance Name":"","SMILES":"C=CCOCC(O)CO"}
{"CAS":"123-35-3","Substance Name":"","SMILES":"C=CC(=C)CCC=C(C)C"}
{"CAS":"123-38-6","Substance Name":"","SMILES":"CCC=O"}
{"CAS":"123-39-7","Substance Name":"","SMILES":"CNC=O"}
{"CAS":"123-42-2","Substance Name":"2-Pentanone, 4-hydroxy-4-methyl-","Registry Name":"4-Hydroxy-4-methyl-2-pentanone","SMILES":"CC(=O)CC(C)(C)O"}
{"CAS":"123-43-3","Substance Name":"","SMILES":"O=C(O)CS(=O)(=O)O"}
{"CAS":"123-51-3","Substance Name":"","SMILES":"CC(C)CCO"}
{"CAS":"123-54-6","Substance Name":"","SMILES":"CC(=O)C=C(C)O"}
{"CAS":"123-56-8","Substance Name":"","SMILES":"O=C1CCC(=O)N1"}
{"CAS":"123-61-5","Substance Name":"","SMILES":"O=C=Nc1cccc(N=C=O)c1"}
{"CAS":"123-62-6","Substance Name":"","SMILES":"CCC(=O)OC(=O)CC"}
{"CAS":"123-63-7","Substance Name":"","SMILES":"CC1OC(C)OC(C)O1"}
{"CAS":"123-68-2","Substance Name":"","SMILES":"C=CCOC(=O)CCCCC"}
{"CAS":"123-69-3","Substance Name":"","SMILES":"O=C1CCCCCC=CCCCCCCCCO1"}
{"CAS":"123-72-8","Substance Name":"","SMILES":"CCCC=O"}
{"CAS":"123-75-1","Substance Name":"","SMILES":"C1CCNC1"}
{"CAS":"123-76-2","Substance Name":"","SMILES":"CC(=O)CCC(=O)O"}
{"CAS":"123-77-3","Substance Name":"","SMILES":"NC(=O)N=NC(N)=O"}
{"CAS":"123-81-9","Substance Name":"","SMILES":"O=C(CS)OCCOC(=O)CS"}
{"CAS":"123-82-0","Substance Name":"","SMILES":"CCCCCC(C)N"}
{"CAS":"123-85-3","Substance Name":"","SMILES":"NC(=O)COCCO"}
{"CAS":"123-86-4","Substance Name":"Acetic acid, butyl ester","Registry Name":"n-Butyl acetate","SMILES":"CCCCOC(C)=O"}
{"CAS":"123-91-1","Substance Name":"1,4-Dioxane","Registry Name":"1,4-Dioxane","SMILES":"C1COCCO1"}
{"CAS":"123-92-2","Substance Name":"","SMILES":"CC(=O)OCCC(C)C"}
{"CAS":"123-93-3","Substance Name":"","SMILES":"O=C(O)CSCC(=O)O"}
{"CAS":"123-95-5","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OCCCC"}
{"CAS":"123-96-6","Substance Name":"","SMILES":"CCCCCCC(C)O"}
{"CAS":"123-99-9","Substance Name":"","SMILES":"O=C(O)CCCCCCCC(=O)O"}
{"CAS":"124-02-7","Substance Name":"","SMILES":"C=CCNCC=C"}
{"CAS":"124-03-8","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCC[N+](C)(C)CC"}
{"CAS":"124-05-0","Substance Name":"","SMILES":"O=C(Cl)OCCOC(=O)Cl"}
{"CAS":"124-07-2","Substance Name":"","SMILES":"CCCCCCCC(=O)O"}
{"CAS":"124-09-4","Substance Name":"","SMILES":"NCCCCCCN"}
{"CAS":"124-12-9","Substance Name":"","SMILES":"CCCCCCCC#N"}
{"CAS":"124-17-4","Substance Name":"","SMILES":"CCCCOCCOCCOC(C)=O"}
{"CAS":"124-19-6","Substance Name":"","SMILES":"CCCCCCCCC=O"}
{"CAS":"124-22-1","Substance Name":"","SMILES":"CCCCCCCCCCCCN"}
{"CAS":"124-25-4","Substance Name":"","SMILES":"CCCCCCCCCCCCCC=O"}
{"CAS":"124-30-1","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCCCCN"}
{"CAS":"124-48-1","Substance Name":"Methane, dibromochloro-","Registry Name":"Chlorodibromomethane","SMILES":"ClC(Br)Br"}
{"CAS":"124-63-0","Substance Name":"","SMILES":"CS(=O)(=O)Cl"}
{"CAS":"124-64-1","Substance Name":"","SMILES":"OC[P+](CO)(CO)CO"}
{"CAS":"124-68-5","Substance Name":"","SMILES":"CC(C)(N)CO"}
{"CAS":"124-70-9","Substance Name":"","SMILES":"C=C[Si](C)(Cl)Cl"}
{"CAS":"124-76-5","Substance Name":"","SMILES":"CC1(C)C2CCC1(C)C(O)C2"}
{"CAS":"124-94-7","Substance Name":"","SMILES":"CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F"}
{"CAS":"124-97-0","Substance Name":"","SMILES":"CCC(C)C(=O)OC1C(O)C2C(CN3CC(C)CCC3C2(C)O)C2CC34OC5(O)C(OC(=O)C(C)(O)C(C)O)CCC3(C)C5C(OC(C)=O)C(OC(C)=O)C4C21O"}
{"CAS":"124-99-2","Substance Name":"","SMILES":"CC1OC(OC2C=C3CCC4C(CCC5(C)C(c6ccc(=O)oc6)CCC45O)C3(C)CC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O"}
{"CAS":"125-02-0","Substance Name":"","SMILES":"CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COP(=O)(O)O"}
{"CAS":"125-04-2","Substance Name":"","SMILES":"CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O"}
{"CAS":"125-12-2","Substance Name":"","SMILES":"CC(=O)OC1CC2CCC1(C)C2(C)C"}
{"CAS":"125-13-3","Substance Name":"","SMILES":"O=C1Nc2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1"}
{"CAS":"125-23-5","Substance Name":"","SMILES":"C[N+]1(C)CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5"}
{"CAS":"125-27-9","Substance Name":"","SMILES":"COc1ccc2c3c1OC1C(O)C=CC4C(C2)[N+](C)(C)CCC341"}
{"CAS":"125-29-1","Substance Name":"","SMILES":"COc1ccc2c3c1OC1C(=O)CCC4C(C2)N(C)CCC314"}
{"CAS":"125-33-7","Substance Name":"","SMILES":"CCC1(c2ccccc2)C(=O)NCNC1=O"}
{"CAS":"125-40-6","Substance Name":"","SMILES":"CCC(C)C1(CC)C(=O)NC(=O)NC1=O"}
{"CAS":"125-44-0","Substance Name":"","SMILES":"CCC=C(C)C1(CC)C(=O)NC(=O)NC1=O"}
{"CAS":"125-46-2","Substance Name":"","SMILES":"CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)O)C(=O)C12C"}
{"CAS":"125-51-9","Substance Name":"","SMILES":"CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1"}
{"CAS":"125-52-0","Substance Name":"","SMILES":"CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1"}
{"CAS":"125-60-0","Substance Name":"","SMILES":"C[N+]1(CCC(C(N)=O)(c2ccccc2)c2ccccc2)CCCCC1"}
{"CAS":"125-64-4","Substance Name":"","SMILES":"CCC1(CC)C(=O)NCC(C)C1=O"}
{"CAS":"125-65-5","Substance Name":"","SMILES":"C=CC1(C)CC(OC(=O)CO)C2(C)C(C)CCC3(CCC(=O)C32)C(C)C1O"}
{"CAS":"125-69-9","Substance Name":"","SMILES":"COc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3"}
{"CAS":"125-85-9","Substance Name":"","SMILES":"CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1"}
{"CAS":"125-99-5","Substance Name":"","SMILES":"CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1"}
{"CAS":"126-02-3","Substance Name":"","SMILES":"OC(CCN1CCCCC1)(c1ccccc1)C1CCCC1"}
{"CAS":"126-06-7","Substance Name":"","SMILES":"CC1(C)C(=O)N(Br)C(=O)N1Cl"}
{"CAS":"126-07-8","Substance Name":"","SMILES":"COC1=CC(=O)CC(C)C12Oc1c(Cl)c(OC)cc(OC)c1C2=O"}
{"CAS":"126-11-4","Substance Name":"","SMILES":"O=[N+]([O-])C(CO)(CO)CO"}
{"CAS":"126-12-5","Substance Name":"","SMILES":"CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1"}
{"CAS":"126-14-7","Substance Name":"","SMILES":"CC(=O)OCC1OC(OC2(COC(C)=O)OC(COC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O"}
{"CAS":"126-15-8","Substance Name":"","SMILES":"O=CC12CC=CCC1C1CC=CCC1O2"}
{"CAS":"126-17-0","Substance Name":"","SMILES":"CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C"}
{"CAS":"126-22-7","Substance Name":"","SMILES":"CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC"}
{"CAS":"126-31-8","Substance Name":"","SMILES":"O=S(=O)(O)CI"}
{"CAS":"126-33-0","Substance Name":"","SMILES":"O=S1(=O)CCCC1"}
{"CAS":"126-50-1","Substance Name":"","SMILES":"CC(=O)C(CCC#N)(CCC#N)CCC#N"}
{"CAS":"126-52-3","Substance Name":"","SMILES":"C#CC1(OC(N)=O)CCCCC1"}
{"CAS":"126-53-4","Substance Name":"","SMILES":"CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)OC(=O)CCCCCCCC"}
{"CAS":"126-61-4","Substance Name":"","SMILES":"C=C(OP(=O)(OCC)OCC)P(=O)(OC)OC"}
{"CAS":"126-64-7","Substance Name":"","SMILES":"C=CC(C)(CCC=C(C)C)OC(=O)c1ccccc1"}
{"CAS":"126-68-1","Substance Name":"","SMILES":"CCOP(=S)(OCC)OCC"}
{"CAS":"126-71-6","Substance Name":"","SMILES":"CC(C)COP(=O)(OCC(C)C)OCC(C)C"}
{"CAS":"126-72-7","Substance Name":"","SMILES":"O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr"}
{"CAS":"126-73-8","Substance Name":"","SMILES":"CCCCOP(=O)(OCCCC)OCCCC"}
{"CAS":"126-75-0","Substance Name":"","SMILES":"CCOP(=O)(OCC)SCCSCC"}
{"CAS":"126-79-4","Substance Name":"","SMILES":"CC[N+](C)(CC)CCOCC[N+]1(C)CCCC1"}
{"CAS":"126-84-1","Substance Name":"","SMILES":"CCOC(C)(C)OCC"}
{"CAS":"126-93-2","Substance Name":"","SMILES":"CCCC1OC1(CC)C(N)=O"}
{"CAS":"126-94-3","Substance Name":"","SMILES":"CCC[As](=O)(O)O"}
{"CAS":"126-98-7","Substance Name":"","SMILES":"C=C(C)C#N"}
{"CAS":"126-99-8","Substance Name":"","SMILES":"C=CC(=C)Cl"}
{"CAS":"127-00-4","Substance Name":"","SMILES":"CC(O)CCl"}
{"CAS":"127-06-0","Substance Name":"","SMILES":"CC(C)=NO"}
{"CAS":"127-07-1","Substance Name":"","SMILES":"NC(=O)NO"}
{"CAS":"127-17-3","Substance Name":"","SMILES":"C=C(O)C(=O)O"}
{"CAS":"127-18-4","Substance Name":"Ethene, 1,1,2,2-tetrachloro-","Registry Name":"Tetrachloroethylene","SMILES":"ClC(Cl)=C(Cl)Cl"}
{"CAS":"127-19-5","Substance Name":"","SMILES":"CC(=O)N(C)C"}
{"CAS":"127-20-8","Substance Name":"","SMILES":"CC(Cl)(Cl)C(=O)O"}
{"CAS":"127-21-9","Substance Name":"","SMILES":"O=C(C(F)(F)Cl)C(F)(F)Cl"}
{"CAS":"127-25-3","Substance Name":"","SMILES":"COC(=O)C1(C)CCCC2(C)C3CCC(C(C)C)=CC3=CCC12"}
{"CAS":"127-29-7","Substance Name":"","SMILES":"CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)CC(OC(C)=O)(C5C6OC(=O)c5ccc(OC)c(OC)c5)C(C(OC)C23)C14"}
{"CAS":"127-31-1","Substance Name":"","SMILES":"CC12CCC(=O)C=C1CCC1C3CCC(O)(C(=O)CO)C3(C)CC(O)C12F"}
{"CAS":"127-33-3","Substance Name":"","SMILES":"CN(C)C1C(=O)C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(O)C3CC12"}
{"CAS":"127-35-5","Substance Name":"","SMILES":"CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1"}
{"CAS":"127-41-3","Substance Name":"","SMILES":"CC(=O)C=CC1C(C)=CCCC1(C)C"}
{"CAS":"127-47-9","Substance Name":"","SMILES":"CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C"}
{"CAS":"127-48-0","Substance Name":"","SMILES":"CN1C(=O)OC(C)(C)C1=O"}
{"CAS":"127-58-2","Substance Name":"","SMILES":"Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1"}
{"CAS":"127-59-3","Substance Name":"","SMILES":"CCCCN(CCCC)S(=O)(=O)c1ccc(Cl)cc1"}
{"CAS":"127-63-9","Substance Name":"","SMILES":"O=S(=O)(c1ccccc1)c1ccccc1"}
{"CAS":"127-66-2","Substance Name":"","SMILES":"C#CC(C)(O)c1ccccc1"}
{"CAS":"127-68-4","Substance Name":"","SMILES":"O=[N+]([O-])c1cccc(S(=O)(=O)O)c1"}
{"CAS":"127-69-5","Substance Name":"","SMILES":"Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C"}
{"CAS":"127-71-9","Substance Name":"","SMILES":"Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1"}
{"CAS":"127-85-5","Substance Name":"","SMILES":"Nc1ccc([As](=O)(O)O)cc1"}
{"CAS":"127-90-2","Substance Name":"","SMILES":"ClC(COCC(Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"}
{"CAS":"127-91-3","Substance Name":"","SMILES":"C=C1CCC2CC1C2(C)C"}
{"CAS":"128-20-1","Substance Name":"","SMILES":"CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C"}
{"CAS":"128-37-0","Substance Name":"","SMILES":"Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"}
{"CAS":"128-39-2","Substance Name":"","SMILES":"CC(C)(C)c1cccc(C(C)(C)C)c1O"}
{"CAS":"128-42-7","Substance Name":"","SMILES":"O=[N+]([O-])c1ccc(C=Cc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1"}
{"CAS":"128-46-1","Substance Name":"","SMILES":"CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)CO)OC(CO)C(O)C1O"}
{"CAS":"128-50-7","Substance Name":"","SMILES":"CC1(C)C2CC=C(CCO)C1C2"}
{"CAS":"128-51-8","Substance Name":"","SMILES":"CC(=O)OCCC1=CCC2CC1C2(C)C"}
{"CAS":"128-53-0","Substance Name":"","SMILES":"CCN1C(=O)C=CC1=O"}
{"CAS":"128-56-3","Substance Name":"","SMILES":"O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)O"}
{"CAS":"128-58-5","Substance Name":"","SMILES":"COc1cc2c3ccccc3c(=O)c3ccc4c5ccc6c(=O)c7ccccc7c7cc(OC)c(c1c4c32)c5c67"}
{"CAS":"128-66-5","Substance Name":"","SMILES":"O=c1c2ccccc2c2ccc3c(=O)c4ccccc4c4ccc1c2c34"}
{"CAS":"128-67-6","Substance Name":"","SMILES":"O=C1c2ccccc2C(=O)c2c1ccc(C(=O)O)c2[N+](=O)[O-]"}
{"CAS":"128-76-7","Substance Name":"","SMILES":"COc1cc2c(cc1O)CC1NCCc3cc(OC)c(OC)c-2c31"}
{"CAS":"128-79-0","Substance Name":"","SMILES":"O=C(Nc1ccc(Nc2ccc(NC(=O)c3ccccc3)c3c2C(=O)c2ccccc2C3=O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1"}
{"CAS":"128-80-3","Substance Name":"","SMILES":"Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1"}
{"CAS":"128-95-0","Substance Name":"","SMILES":"Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O"}
{"CAS":"128-97-2","Substance Name":"","SMILES":"O=C(O)c1ccc(C(=O)O)c2c(C(=O)O)ccc(C(=O)O)c12"}
{"CAS":"129-00-0","Substance Name":"Pyrene","Registry Name":"Pyrene","SMILES":"c1cc2ccc3cccc4ccc(c1)c2c34"}
{"CAS":"129-03-3","Substance Name":"","SMILES":"CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1"}
{"CAS":"129-15-7","Substance Name":"","SMILES":"Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O"}
{"CAS":"129-16-8","Substance Name":"","SMILES":"O=C1OC2(c3cc(Br)c(O)cc3Oc3c2cc(Br)c(O)c3[Hg]O)c2ccccc21"}
{"CAS":"129-17-9","Substance Name":"","SMILES":"CCN(CC)c1ccc([C+](c2ccc(N(CC)CC)cc2)c2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc1"}
{"CAS":"129-20-4","Substance Name":"","SMILES":"CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O"}
{"CAS":"129-44-2","Substance Name":"","SMILES":"Nc1cccc2c1C(=O)c1cccc(N)c1C2=O"}
{"CAS":"129-46-4","Substance Name":"","SMILES":"Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)c2)c1"}
{"CAS":"129-56-6","Substance Name":"","SMILES":"O=C1c2ccccc2-c2[nH]nc3cccc1c23"}
{"CAS":"129-57-7","Substance Name":"","SMILES":"CCC(=O)Nc1c(I)c(NC(=O)CC)c(I)c(C(=O)O)c1I"}
{"CAS":"129-63-5","Substance Name":"","SMILES":"CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I"}
{"CAS":"129-74-8","Substance Name":"","SMILES":"CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1"}
{"CAS":"129-79-3","Substance Name":"","SMILES":"O=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]"}
{"CAS":"129-81-7","Substance Name":"","SMILES":"Cc1c(I)c(=O)n(-c2ccccc2)n1C"}
{"CAS":"130-00-7","Substance Name":"","SMILES":"O=C1Nc2cccc3cccc1c23"}
{"CAS":"130-15-4","Substance Name":"","SMILES":"O=C1C=CC(=O)c2ccccc21"}
{"CAS":"130-17-6","Substance Name":"","SMILES":"Cc1ccc2nc(-c3ccc(N)cc3)sc2c1S(=O)(=O)O"}
{"CAS":"130-20-1","Substance Name":"","SMILES":"O=c1c2ccccc2c(=O)c2c1cc(Cl)c1[nH]c3c([nH]c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c13"}
{"CAS":"130-22-3","Substance Name":"","SMILES":"O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)O)c(O)c2O"}
{"CAS":"130-26-7","Substance Name":"","SMILES":"Oc1c(I)cc(Cl)c2cccnc12"}
{"CAS":"130-61-0","Substance Name":"","SMILES":"CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2"}
{"CAS":"130-83-6","Substance Name":"","SMILES":"C=CCN1Cc2ccccc2-c2ccccc2C1"}
{"CAS":"130-84-7","Substance Name":"","SMILES":"COC(=O)C(OC(C)=O)=C(OC(C)=O)C(=O)OC"}
{"CAS":"130-85-8","Substance Name":"","SMILES":"O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O"}
{"CAS":"130-86-9","Substance Name":"","SMILES":"CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3"}
{"CAS":"131-01-1","Substance Name":"","SMILES":"COC(=O)C1C2CC3c4[nH]c5ccccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC"}
{"CAS":"131-02-2","Substance Name":"","SMILES":"COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)C3CC12"}
{"CAS":"131-07-7","Substance Name":"","SMILES":"COC(=O)C1=COC(C)C2C[n+]3ccc4c([nH]c5ccccc54)c3CC12"}
{"CAS":"131-08-8","Substance Name":"","SMILES":"O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)O)ccc21"}
{"CAS":"131-09-9","Substance Name":"","SMILES":"O=C1c2ccccc2C(=O)c2cc(Cl)ccc21"}
{"CAS":"131-11-3","Substance Name":"1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester","Registry Name":"Dimethyl phthalate","SMILES":"COC(=O)c1ccccc1C(=O)OC"}
{"CAS":"131-13-5","Substance Name":"","SMILES":"Cc1cc(OP(=O)(O)O)c2ccccc2c1OP(=O)(O)O"}
{"CAS":"131-15-7","Substance Name":"","SMILES":"CCCCCCC(C)OC(=O)c1ccccc1C(=O)OC(C)CCCCCC"}
{"CAS":"131-17-9","Substance Name":"","SMILES":"C=CCOC(=O)c1ccccc1C(=O)OCC=C"}
{"CAS":"131-27-1","Substance Name":"","SMILES":"Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1"}
{"CAS":"131-28-2","Substance Name":"","SMILES":"COc1ccc(C(=O)Cc2c(CCN(C)C)cc3c(c2OC)OCO3)c(C(=O)O)c1OC"}
{"CAS":"131-55-5","Substance Name":"","SMILES":"O=C(c1ccc(O)cc1O)c1ccc(O)cc1O"}
{"CAS":"131-56-6","Substance Name":"","SMILES":"O=C(c1ccccc1)c1ccc(O)cc1O"}
{"CAS":"131-57-7","Substance Name":"","SMILES":"COc1ccc(C(=O)c2ccccc2)c(O)c1"}
{"CAS":"131-62-4","Substance Name":"","SMILES":"O=C1O[IH2](O)c2ccccc21"}
{"CAS":"131-67-9","Substance Name":"","SMILES":"C#CC(C)(CC)OC(=O)c1ccccc1C(=O)O"}
{"CAS":"131-70-4","Substance Name":"","SMILES":"CCCCOC(=O)c1ccccc1C(=O)O"}
{"CAS":"131-79-3","Substance Name":"","SMILES":"Cc1ccccc1N=Nc1c(N)ccc2ccccc12"}
{"CAS":"131-89-5","Substance Name":"","SMILES":"O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1"}
{"CAS":"131-90-8","Substance Name":"","SMILES":"CCCCNC(=O)c1cccc(-c2ccccc2)c1O"}
{"CAS":"131-91-9","Substance Name":"","SMILES":"O=Nc1c(O)ccc2ccccc12"}
{"CAS":"131-92-0","Substance Name":"","SMILES":"O=C(Nc1cccc2c(=O)c3c(ccc4c5cc(NC(=O)c6ccccc6)c6c(=O)c7ccccc7c(=O)c6c5[nH]c43)c(=O)c12)c1ccccc1"}
{"CAS":"131-99-7","Substance Name":"","SMILES":"O=c1nc[nH]c2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O"}
{"CAS":"132-18-3","Substance Name":"","SMILES":"CN1CCC(OC(c2ccccc2)c2ccccc2)CC1"}
{"CAS":"132-22-9","Substance Name":"","SMILES":"CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1"}
{"CAS":"132-29-6","Substance Name":"","SMILES":"O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1-c1ccccc1"}
{"CAS":"132-32-1","Substance Name":"","SMILES":"CCn1c2ccccc2c2cc(N)ccc21"}
{"CAS":"132-45-6","Substance Name":"","SMILES":"CCCC(C(=O)OCCN(CC)CC)c1ccccc1"}
{"CAS":"132-60-5","Substance Name":"","SMILES":"O=C(O)c1cc(-c2ccccc2)nc2ccccc12"}
{"CAS":"132-65-0","Substance Name":"","SMILES":"c1ccc2c(c1)sc1ccccc12"}
{"CAS":"132-66-1","Substance Name":"","SMILES":"O=C(O)c1ccccc1C(=O)Nc1cccc2ccccc12"}
{"CAS":"132-68-3","Substance Name":"","SMILES":"O=C(Nc1cccc2ccccc12)c1cc2ccccc2cc1O"}
{"CAS":"132-69-4","Substance Name":"","SMILES":"CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12"}
{"CAS":"132-75-2","Substance Name":"","SMILES":"N#CCc1cccc2ccccc12"}
{"CAS":"132-79-6","Substance Name":"","SMILES":"CC(=O)OC1=C(OC(C)=O)C(=O)OC1=O"}
{"CAS":"132-80-9","Substance Name":"","SMILES":"O=C(CCl)OC1=C(OC(=O)CCl)C(=O)OC1=O"}
{"CAS":"132-81-0","Substance Name":"","SMILES":"O=C(Cc1ccccc1)OC1=C(OC(=O)Cc2ccccc2)C(=O)OC1=O"}
{"CAS":"132-82-1","Substance Name":"","SMILES":"CCCC(=O)OC1=C(OC(=O)CCC)C(=O)OC1=O"}
{"CAS":"132-86-5","Substance Name":"","SMILES":"Oc1cc(O)c2ccccc2c1"}
{"CAS":"132-89-8","Substance Name":"","SMILES":"O=C1NC(CCCl)Oc2ccccc21"}
{"CAS":"132-92-3","Substance Name":"","SMILES":"COc1cccc(OC)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O"}
{"CAS":"132-93-4","Substance Name":"","SMILES":"CC(Oc1ccccc1)C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O"}
{"CAS":"133-06-2","Substance Name":"1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-","Registry Name":"Captan","SMILES":"O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl"}
{"CAS":"133-07-3","Substance Name":"","SMILES":"O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl"}
{"CAS":"133-14-2","Substance Name":"","SMILES":"O=C(OOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl"}
{"CAS":"133-17-5","Substance Name":"","SMILES":"O=C(O)CNC(=O)c1ccccc1I"}
{"CAS":"133-26-6","Substance Name":"","SMILES":"COc1c(C(C)C)oc2cc3oc(=O)ccc3cc12"}
{"CAS":"133-32-4","Substance Name":"","SMILES":"O=C(O)CCCc1c[nH]c2ccccc12"}
{"CAS":"133-38-0","Substance Name":"","SMILES":"O=C(O)/C(O)=C(/O)C(=O)O"}
{"CAS":"133-47-1","Substance Name":"","SMILES":"COC(=O)/C(O)=C(\\O)C(=O)OC"}
{"CAS":"133-49-3","Substance Name":"","SMILES":"Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"}
{"CAS":"133-58-4","Substance Name":"","SMILES":"Cc1ccc([N+](=O)[O-])c2c1O[Hg]2"}
{"CAS":"133-65-3","Substance Name":"","SMILES":"O=S(=O)(c1ccc(NC(CC(c2ccccc2)S(=O)(=O)O)S(=O)(=O)O)cc1)c1ccc(NC(CC(c2ccccc2)S(=O)(=O)O)S(=O)(=O)O)cc1"}
{"CAS":"133-66-4","Substance Name":"","SMILES":"O=S(=O)(O)c1cc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1C=Cc1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1S(=O)(=O)O"}
{"CAS":"133-67-5","Substance Name":"","SMILES":"NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O"}
{"CAS":"133-90-4","Substance Name":"","SMILES":"Nc1cc(Cl)cc(C(=O)O)c1Cl"}
{"CAS":"133-91-5","Substance Name":"","SMILES":"O=C(O)c1cc(I)cc(I)c1O"}
{"CAS":"134-00-9","Substance Name":"","SMILES":"O=C1OC(=O)C(OC(=O)c2ccccc2)=C1OC(=O)c1ccccc1"}
{"CAS":"134-20-3","Substance Name":"","SMILES":"COC(=O)c1ccccc1N"}
{"CAS":"134-32-7","Substance Name":"","SMILES":"Nc1cccc2ccccc12"}
{"CAS":"134-36-1","Substance Name":"","SMILES":"CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C"}
{"CAS":"134-37-2","Substance Name":"","SMILES":"Nc1cccc(-n2ccccc2=O)c1"}
{"CAS":"134-49-6","Substance Name":"","SMILES":"CC1NCCOC1c1ccccc1"}
{"CAS":"134-53-2","Substance Name":"","SMILES":"CCN(CC)CC(C)(C)COC(=O)C(CO)c1ccccc1"}
{"CAS":"134-58-7","Substance Name":"","SMILES":"Nc1nc2nn[nH]c2c(=O)[nH]1"}
{"CAS":"134-62-3","Substance Name":"","SMILES":"CCN(CC)C(=O)c1cccc(C)c1"}
{"CAS":"134-80-5","Substance Name":"","SMILES":"CCN(CC)C(C)C(=O)c1ccccc1"}
{"CAS":"134-81-6","Substance Name":"","SMILES":"O=C(C(=O)c1ccccc1)c1ccccc1"}
{"CAS":"134-84-9","Substance Name":"","SMILES":"Cc1ccc(C(=O)c2ccccc2)cc1"}
{"CAS":"134-96-3","Substance Name":"","SMILES":"COc1cc(C=O)cc(OC)c1O"}
{"CAS":"134-97-4","Substance Name":"","SMILES":"CCN1CN(CO)C(=O)N(CO)C1"}
{"CAS":"134-98-5","Substance Name":"","SMILES":"CC(=O)Nc1cccc(C)c1C"}
{"CAS":"135-02-4","Substance Name":"","SMILES":"COc1ccccc1C=O"}
{"CAS":"135-07-9","Substance Name":"","SMILES":"CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O"}
{"CAS":"135-09-1","Substance Name":"","SMILES":"NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O"}
{"CAS":"135-13-7","Substance Name":"","SMILES":"O=C(O)CSc1ccccc1C(=O)O"}
{"CAS":"135-19-3","Substance Name":"","SMILES":"Oc1ccc2ccccc2c1"}
{"CAS":"135-20-6","Substance Name":"","SMILES":"O=NN(O)c1ccccc1"}
{"CAS":"135-22-8","Substance Name":"","SMILES":"c1ccc2c(c1)c(Cc1cn(CN3CCCCC3)c3ccccc13)cn2CN1CCCCC1"}
{"CAS":"135-31-9","Substance Name":"","SMILES":"Clc1ccc(CC(=CCN2CCCC2)c2ccccc2)cc1"}
{"CAS":"135-35-3","Substance Name":"","SMILES":"CN(C)CCN(Cc1ccc(Cl)s1)c1ccccn1"}
{"CAS":"135-36-4","Substance Name":"","SMILES":"CCCCC(OC(=O)CCC(=O)O)c1ccccc1"}
{"CAS":"135-54-6","Substance Name":"","SMILES":"COc1ccc(OC)c(CNN)c1"}
{"CAS":"135-57-9","Substance Name":"","SMILES":"O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1"}
{"CAS":"135-85-3","Substance Name":"","SMILES":"COc1ccc(CNN)cc1OC"}
{"CAS":"135-87-5","Substance Name":"","SMILES":"c1ccc2c(c1)OCC(CN1CCCCC1)O2"}
{"CAS":"135-88-6","Substance Name":"","SMILES":"c1ccc(Nc2ccc3ccccc3c2)cc1"}
{"CAS":"136-16-3","Substance Name":"","SMILES":"Cc1nc(=O)c(C[n+]2csc(CCO)c2C)c[nH]1"}
{"CAS":"136-17-4","Substance Name":"","SMILES":"Nc1ccc(Nc2ccccc2)c(N)c1"}
{"CAS":"136-23-2","Substance Name":"","SMILES":"CCCCN(CCCC)C1=[S][Zn+2]2([S]=C(N(CCCC)CCCC)[S-]2)[S-]1"}
{"CAS":"136-25-4","Substance Name":"","SMILES":"CC(Cl)(Cl)C(=O)OCCOc1cc(Cl)c(Cl)cc1Cl"}
{"CAS":"136-30-1","Substance Name":"","SMILES":"CCCCN(CCCC)C(=S)S"}
{"CAS":"136-36-7","Substance Name":"","SMILES":"O=C(Oc1cccc(O)c1)c1ccccc1"}
{"CAS":"136-40-3","Substance Name":"","SMILES":"Nc1ccc(N=Nc2ccccc2)c(N)n1"}
{"CAS":"136-45-8","Substance Name":"","SMILES":"CCCOC(=O)c1ccc(C(=O)OCCC)nc1"}
{"CAS":"136-46-9","Substance Name":"","SMILES":"CCOc1ccc(C(=O)OCCN(CC)CC)cc1"}
{"CAS":"136-47-0","Substance Name":"","SMILES":"CCCCNc1ccc(C(=O)OCCN(C)C)cc1"}
{"CAS":"136-60-7","Substance Name":"","SMILES":"CCCCOC(=O)c1ccccc1"}
{"CAS":"136-66-3","Substance Name":"","SMILES":"Cc1ccccc1CC(=O)OC1CC2CCC(C1)N2C"}
{"CAS":"136-68-5","Substance Name":"","SMILES":"CN1C2CCC1CC(OC(=O)Cc1ccc([N+](=O)[O-])cc1)C2"}
{"CAS":"136-69-6","Substance Name":"","SMILES":"CC(Cc1ccc2c(c1)OCO2)NCC(O)c1ccc(O)c(O)c1"}
{"CAS":"136-77-6","Substance Name":"","SMILES":"CCCCCCc1ccc(O)cc1O"}
{"CAS":"136-78-7","Substance Name":"","SMILES":"O=S(=O)(O)OCCOc1ccc(Cl)cc1Cl"}
{"CAS":"136-79-8","Substance Name":"","SMILES":"CCOc1ccc([N+](=O)[O-])cc1N"}
{"CAS":"136-80-1","Substance Name":"","SMILES":"Cc1ccccc1NCCO"}
{"CAS":"136-81-2","Substance Name":"","SMILES":"CCCCCc1ccccc1O"}
{"CAS":"136-85-6","Substance Name":"","SMILES":"Cc1ccc2n[nH]nc2c1"}
{"CAS":"136-95-8","Substance Name":"","SMILES":"Nc1nc2ccccc2s1"}
{"CAS":"136-96-9","Substance Name":"","SMILES":"CCN(CC)CCOc1ccc2nc(N(C)C)sc2c1"}
{"CAS":"137-03-1","Substance Name":"","SMILES":"CCCCCCCC1CCCC1=O"}
{"CAS":"137-05-3","Substance Name":"","SMILES":"C=C(C#N)C(=O)OC"}
{"CAS":"137-06-4","Substance Name":"","SMILES":"Cc1ccccc1S"}
{"CAS":"137-07-5","Substance Name":"","SMILES":"Nc1ccccc1S"}
{"CAS":"137-09-7","Substance Name":"","SMILES":"Nc1ccc(O)c(N)c1"}
{"CAS":"137-18-8","Substance Name":"","SMILES":"CC1=CC(=O)C(C)=CC1=O"}
{"CAS":"137-20-2","Substance Name":"","SMILES":"CCCCCCCCC=CCCCCCCCC(=O)N(C)CCS(=O)(=O)O"}
{"CAS":"137-26-8","Substance Name":"Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetramethyl-","Registry Name":"Thiram","SMILES":"CN(C)C(=S)SSC(=S)N(C)C"}
{"CAS":"137-42-8","Substance Name":"","SMILES":"CNC(=S)S"}
{"CAS":"137-66-6","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O"}
{"CAS":"137-86-0","Substance Name":"","SMILES":"COC(=O)CCCCC(CCSSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N)SC(C)=O"}
{"CAS":"137-89-3","Substance Name":"","SMILES":"CCCCC(CC)COC(=O)c1cccc(C(=O)OCC(CC)CCCC)c1"}
{"CAS":"137-97-3","Substance Name":"","SMILES":"Cc1ccccc1NC(=S)Nc1ccccc1C"}
{"CAS":"138-22-7","Substance Name":"","SMILES":"CCCCOC(=O)C(C)O"}
{"CAS":"138-31-8","Substance Name":"","SMILES":"CC(=O)Nc1ccc([Sb](=O)(O)O)cc1"}
{"CAS":"138-37-4","Substance Name":"","SMILES":"NCc1ccc(S(N)(=O)=O)cc1"}
{"CAS":"138-41-0","Substance Name":"","SMILES":"NS(=O)(=O)c1ccc(C(=O)O)cc1"}
{"CAS":"138-53-4","Substance Name":"","SMILES":"N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccccc1"}
{"CAS":"138-59-0","Substance Name":"","SMILES":"O=C(O)C1=CC(O)C(O)C(O)C1"}
{"CAS":"138-65-8","Substance Name":"","SMILES":"NCC(O)c1ccc(O)c(O)c1"}
{"CAS":"138-85-2","Substance Name":"","SMILES":"O=C(O)c1ccc([Hg]O)cc1"}
{"CAS":"138-92-1","Substance Name":"","SMILES":"NCCc1ccn[nH]1"}
{"CAS":"139-05-9","Substance Name":"","SMILES":"O=S(=O)(O)NC1CCCCC1"}
{"CAS":"139-25-3","Substance Name":"","SMILES":"Cc1cc(Cc2ccc(N=C=O)c(C)c2)ccc1N=C=O"}
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{"CAS":"139-68-4","Substance Name":"","SMILES":"CC(Cc1ccccc1)NC(=O)c1cccnc1"}
{"CAS":"139-70-8","Substance Name":"","SMILES":"CC(C)=CCCC(C)CCOC(=O)Cc1ccccc1"}
{"CAS":"139-85-5","Substance Name":"","SMILES":"O=Cc1ccc(O)c(O)c1"}
{"CAS":"139-87-7","Substance Name":"","SMILES":"CCN(CCO)CCO"}
{"CAS":"139-88-8","Substance Name":"","SMILES":"CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)O"}
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{"CAS":"139-93-5","Substance Name":"","SMILES":"Nc1cc([AsH]=[AsH]c2ccc(O)c(N)c2)ccc1O"}
{"CAS":"139-94-6","Substance Name":"","SMILES":"CCNC(=O)Nc1ncc([N+](=O)[O-])s1"}
{"CAS":"140-03-4","Substance Name":"","SMILES":"CCCCCCC(CC=CCCCCCCCC(=O)OC)OC(C)=O"}
{"CAS":"140-05-6","Substance Name":"","SMILES":"CCCCCCC(CC=CCCCCCCCC(=O)OCCOC)OC(C)=O"}
{"CAS":"140-08-9","Substance Name":"","SMILES":"ClCCOP(OCCCl)OCCCl"}
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{"CAS":"140-20-5","Substance Name":"","SMILES":"COC(CNC(=O)NC(=O)CCC(=O)O)C[Hg]O"}
{"CAS":"140-26-1","Substance Name":"","SMILES":"CC(C)CC(=O)OCCc1ccccc1"}
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{"CAS":"140-40-9","Substance Name":"","SMILES":"CC(=O)Nc1ncc([N+](=O)[O-])s1"}
{"CAS":"140-45-4","Substance Name":"","SMILES":"O=C(CO)Nc1ccc([As](=O)(O)O)cc1"}
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{"CAS":"140-49-8","Substance Name":"","SMILES":"CC(=O)Nc1ccc(C(=O)CCl)cc1"}
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{"CAS":"140-57-8","Substance Name":"","SMILES":"CC(COc1ccc(C(C)(C)C)cc1)OS(=O)OCCCl"}
{"CAS":"140-66-9","Substance Name":"","SMILES":"CC(C)(C)CC(C)(C)c1ccc(O)cc1"}
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{"CAS":"140-76-1","Substance Name":"","SMILES":"C=Cc1ccc(C)nc1"}
{"CAS":"140-79-4","Substance Name":"","SMILES":"O=NN1CCN(N=O)CC1"}
{"CAS":"140-80-7","Substance Name":"","SMILES":"CCN(CC)CCCC(C)N"}
{"CAS":"140-87-4","Substance Name":"","SMILES":"N#CCC(=O)NN"}
{"CAS":"140-88-5","Substance Name":"","SMILES":"C=CC(=O)OCC"}
{"CAS":"140-89-6","Substance Name":"","SMILES":"CCOC(=S)S"}
{"CAS":"140-92-1","Substance Name":"","SMILES":"CC(C)OC(=S)S"}
{"CAS":"141-03-7","Substance Name":"","SMILES":"CCCCOC(=O)CCC(=O)OCCCC"}
{"CAS":"141-05-9","Substance Name":"","SMILES":"CCOC(=O)C=CC(=O)OCC"}
{"CAS":"141-10-6","Substance Name":"","SMILES":"CC(=O)C=CC=C(C)CCC=C(C)C"}
{"CAS":"141-11-7","Substance Name":"","SMILES":"C=C(C)CCCC(C)CCOC(C)=O"}
{"CAS":"141-13-9","Substance Name":"","SMILES":"CC(C)=CCCC(C)CCCC(C)C=O"}
{"CAS":"141-14-0","Substance Name":"","SMILES":"CCC(=O)OCCC(C)CCC=C(C)C"}
{"CAS":"141-17-3","Substance Name":"","SMILES":"CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC"}
{"CAS":"141-18-4","Substance Name":"","SMILES":"CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC"}
{"CAS":"141-25-3","Substance Name":"","SMILES":"C=C(C)CCCC(C)CCO"}
{"CAS":"141-28-6","Substance Name":"","SMILES":"CCOC(=O)CCCCC(=O)OCC"}
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{"CAS":"141-31-1","Substance Name":"","SMILES":"O=CCCCC(O)C=O"}
{"CAS":"141-32-2","Substance Name":"","SMILES":"C=CC(=O)OCCCC"}
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{"CAS":"141-46-8","Substance Name":"","SMILES":"O=CCO"}
{"CAS":"141-53-7","Substance Name":"","SMILES":"O=CO"}
{"CAS":"141-59-3","Substance Name":"","SMILES":"CC(C)(C)CC(C)(C)S"}
{"CAS":"141-66-2","Substance Name":"","SMILES":"COP(=O)(OC)OC(C)=CC(=O)N(C)C"}
{"CAS":"141-73-1","Substance Name":"","SMILES":"COC(C)(C)CC(C)O"}
{"CAS":"141-78-6","Substance Name":"Acetic acid ethyl ester","Registry Name":"Ethyl acetate","SMILES":"CCOC(C)=O"}
{"CAS":"141-79-7","Substance Name":"","SMILES":"CC(=O)C=C(C)C"}
{"CAS":"141-84-4","Substance Name":"","SMILES":"O=C1CSC(=S)N1"}
{"CAS":"141-86-6","Substance Name":"","SMILES":"Nc1cccc(N)n1"}
{"CAS":"141-90-2","Substance Name":"","SMILES":"O=c1cc[nH]c(=S)[nH]1"}
{"CAS":"141-91-3","Substance Name":"","SMILES":"CC1CNCC(C)O1"}
{"CAS":"141-95-7","Substance Name":"","SMILES":"O=C(O)CC(=O)O"}
{"CAS":"141-96-8","Substance Name":"","SMILES":"CCC(C)OC(=S)S"}
{"CAS":"141-97-9","Substance Name":"","SMILES":"CCOC(=O)CC(C)=O"}
{"CAS":"142-08-5","Substance Name":"","SMILES":"O=c1cccc[nH]1"}
{"CAS":"142-16-5","Substance Name":"","SMILES":"CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC"}
{"CAS":"142-19-8","Substance Name":"","SMILES":"C=CCOC(=O)CCCCCC"}
{"CAS":"142-22-3","Substance Name":"","SMILES":"C=CCOC(=O)OCCOCCOC(=O)OCC=C"}
{"CAS":"142-26-7","Substance Name":"","SMILES":"CC(=O)NCCO"}
{"CAS":"142-28-9","Substance Name":"","SMILES":"ClCCCCl"}
{"CAS":"142-31-4","Substance Name":"","SMILES":"CCCCCCCCOS(=O)(=O)O"}
{"CAS":"142-46-1","Substance Name":"","SMILES":"NC(=S)NNC(N)=S"}
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{"CAS":"142-62-1","Substance Name":"","SMILES":"CCCCCC(=O)O"}
{"CAS":"142-64-3","Substance Name":"","SMILES":"C1CNCCN1"}
{"CAS":"142-65-4","Substance Name":"","SMILES":"CCCCCN"}
{"CAS":"142-82-5","Substance Name":"Heptane","Registry Name":"Heptane","SMILES":"CCCCCCC"}
{"CAS":"142-83-6","Substance Name":"","SMILES":"CC=CC=CC=O"}
{"CAS":"142-84-7","Substance Name":"","SMILES":"CCCNCCC"}
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{"CAS":"142-90-5","Substance Name":"","SMILES":"C=C(C)C(=O)OCCCCCCCCCCCC"}
{"CAS":"142-91-6","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCC(=O)OC(C)C"}
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{"CAS":"143-33-9","Substance Name":"Sodium cyanide (Na(CN))","Registry Name":"Sodium cyanide","SMILES":"N#C[Na]"}
{"CAS":"143-50-0","Substance Name":"","SMILES":"O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl"}
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{"CAS":"148-87-8","Substance Name":"","SMILES":"CCN(CCC#N)c1ccccc1"}
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{"CAS":"149-29-1","Substance Name":"","SMILES":"O=C1C=C2C(=CCOC2O)O1"}
{"CAS":"149-30-4","Substance Name":"","SMILES":"S=c1[nH]c2ccccc2s1"}
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{"CAS":"149-91-7","Substance Name":"","SMILES":"O=C(O)c1cc(O)c(O)c(O)c1"}
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{"CAS":"150-50-5","Substance Name":"","SMILES":"CCCCSP(SCCCC)SCCCC"}
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{"CAS":"150-78-7","Substance Name":"","SMILES":"COc1ccc(OC)cc1"}
{"CAS":"150-84-5","Substance Name":"","SMILES":"CC(=O)OCCC(C)CCC=C(C)C"}
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{"CAS":"151-38-2","Substance Name":"","SMILES":"COCC[Hg]OC(C)=O"}
{"CAS":"151-50-8","Substance Name":"Potassium cyanide (K(CN))","Registry Name":"Potassium cyanide","SMILES":"N#C[K]"}
{"CAS":"151-56-4","Substance Name":"","SMILES":"C1CN1"}
{"CAS":"151-67-7","Substance Name":"","SMILES":"FC(F)(F)C(Cl)Br"}
{"CAS":"151-73-5","Substance Name":"","SMILES":"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(=O)(O)O"}
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{"CAS":"152-02-3","Substance Name":"","SMILES":"C=CCN1CCC23CCCCC2C1Cc1ccc(O)cc13"}
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{"CAS":"152-81-8","Substance Name":"","SMILES":"C[N+](C)(C)CCC[N+]1(C)CC2C3c4ccccc4C(c4ccccc43)C2C1"}
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{"CAS":"204-02-4","Substance Name":"","SMILES":"c1cc2cccc3[nH]cnc(c1)c23"}
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{"CAS":"235-05-2","Substance Name":"","SMILES":"c1ccc2c(c1)ncc1nccn12"}
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{"CAS":"314-01-2","Substance Name":"","SMILES":"CN1CCC(=C2c3ccccc3S(=O)c3ccccc32)CC1"}
{"CAS":"314-03-4","Substance Name":"","SMILES":"CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1"}
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{"CAS":"314-42-1","Substance Name":"","SMILES":"Cc1[nH]c(=O)n(C(C)C)c(=O)c1Br"}
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{"CAS":"315-22-0","Substance Name":"","SMILES":"CC1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)C23"}
{"CAS":"315-30-0","Substance Name":"","SMILES":"O=c1nc[nH]c2n[nH]cc12"}
{"CAS":"315-37-7","Substance Name":"","SMILES":"CCCCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C"}
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{"CAS":"315-80-0","Substance Name":"","SMILES":"CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21"}
{"CAS":"316-15-4","Substance Name":"","SMILES":"CCCCNc1c2c(nc3ccccc13)CCCC2"}
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{"CAS":"316-86-9","Substance Name":"","SMILES":"CCNc1cccc2nc3c(cc12)CCCC3"}
{"CAS":"316-87-0","Substance Name":"","SMILES":"CCCCCNc1c2c(nc3ccccc13)CCCC2"}
{"CAS":"316-88-1","Substance Name":"","SMILES":"CNc1cccc2nc3c(cc12)CCCC3"}
{"CAS":"317-52-2","Substance Name":"","SMILES":"C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21"}
{"CAS":"318-81-0","Substance Name":"","SMILES":"c1ccc2c(c1)OC1CNCC2C1"}
{"CAS":"318-85-4","Substance Name":"","SMILES":"O=C(CF)Nc1cccc2ccccc12"}
{"CAS":"318-87-6","Substance Name":"","SMILES":"CCN(CCF)Cc1cccc2ccccc12"}
{"CAS":"318-88-7","Substance Name":"","SMILES":"CN(CCF)Cc1cccc2ccccc12"}
{"CAS":"318-98-9","Substance Name":"","SMILES":"CC(C)NCC(O)COc1cccc2ccccc12"}
{"CAS":"319-94-8","Substance Name":"","SMILES":"ClC1=C(Cl)C(Cl)C(Cl)C(Cl)C1"}
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{"CAS":"326-49-8","Substance Name":"","SMILES":"O=C(OCCCCF)c1ccccc1"}
{"CAS":"326-52-3","Substance Name":"","SMILES":"O=C(CCCCCCCCF)c1ccccc1"}
{"CAS":"326-61-4","Substance Name":"","SMILES":"CC(=O)OCc1ccc2c(c1)OCO2"}
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{"CAS":"327-92-4","Substance Name":"","SMILES":"O=[N+]([O-])c1cc([N+](=O)[O-])c(F)cc1F"}
{"CAS":"327-98-0","Substance Name":"","SMILES":"CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl"}
{"CAS":"328-04-1","Substance Name":"","SMILES":"CCP(=S)(Oc1ccc([N+](=O)[O-])cc1Cl)OC(C)C"}
{"CAS":"328-07-4","Substance Name":"","SMILES":"CCCCCCCCCCN1CCCC(C(=O)N(CC)CC)C1"}
{"CAS":"328-33-6","Substance Name":"","SMILES":"Cc1cc(C(=O)NNCc2ccc(N(C)C)cc2)no1"}
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{"CAS":"329-21-5","Substance Name":"","SMILES":"CCOP(=S)(CC)Sc1ccc(C(C)(C)C)cc1"}
{"CAS":"329-32-8","Substance Name":"","SMILES":"CC(C)CN(CC(C)C)C(=N)N"}
{"CAS":"329-39-5","Substance Name":"","SMILES":"N=C(N)N(Cc1ccccc1)Cc1ccccc1"}
{"CAS":"329-65-7","Substance Name":"","SMILES":"CNCC(O)c1ccc(O)c(O)c1"}
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{"CAS":"329-75-9","Substance Name":"","SMILES":"CCCCN(CCCC)C(=N)N"}
{"CAS":"329-79-3","Substance Name":"","SMILES":"CC(=NO)c1ccc(F)cc1"}
{"CAS":"329-89-5","Substance Name":"","SMILES":"NC(=O)c1ccc(N)nc1"}
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{"CAS":"329-99-7","Substance Name":"","SMILES":"CP(=O)(F)OC1CCCCC1"}
{"CAS":"330-00-7","Substance Name":"","SMILES":"O=S(=O)(F)Oc1ccccc1"}
{"CAS":"330-08-5","Substance Name":"","SMILES":"O=P(F)(Nc1ccccc1)Nc1ccccc1"}
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{"CAS":"330-55-2","Substance Name":"","SMILES":"CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1"}
{"CAS":"330-64-3","Substance Name":"","SMILES":"CNC(=O)Oc1cc(C(C)C)cc(C(C)C)c1"}
{"CAS":"330-68-7","Substance Name":"","SMILES":"O=C(CF)Nc1ccccc1"}
{"CAS":"330-69-8","Substance Name":"","SMILES":"CN(Cc1ccccc1)C(=N)N"}
{"CAS":"331-10-2","Substance Name":"","SMILES":"O=C(NCCCCF)Nc1ccccc1"}
{"CAS":"331-39-5","Substance Name":"","SMILES":"O=C(O)C=Cc1ccc(O)c(O)c1"}
{"CAS":"331-86-2","Substance Name":"","SMILES":"O=P(F)(NCc1ccccc1)NCc1ccccc1"}
{"CAS":"332-14-9","Substance Name":"","SMILES":"c1ccc(CCN2CCCCC2)cc1"}
{"CAS":"332-15-0","Substance Name":"","SMILES":"C(=CN1CCCCC1)c1ccccc1"}
{"CAS":"332-33-2","Substance Name":"","SMILES":"CN(C)C(=O)Nc1ccc(F)cc1"}
{"CAS":"332-34-3","Substance Name":"","SMILES":"COc1ccc(NC(=O)C(F)(F)F)cc1"}
{"CAS":"332-35-4","Substance Name":"","SMILES":"COc1ccc(NC(=O)CF)cc1"}
{"CAS":"332-69-4","Substance Name":"","SMILES":"CN(C)C(=O)CCNc1ccc(Br)cc1"}
{"CAS":"332-91-2","Substance Name":"","SMILES":"O=C(CCCCCF)CCCCCCCF"}
{"CAS":"332-94-5","Substance Name":"","SMILES":"O=C(CCCCCCCF)OCCF"}
{"CAS":"332-97-8","Substance Name":"","SMILES":"CCOC(=O)CCCCCCCF"}
{"CAS":"332-98-9","Substance Name":"","SMILES":"CCOC(=O)CCCCCCCCCCF"}
{"CAS":"333-06-2","Substance Name":"","SMILES":"O=C(CF)CCCCCF"}
{"CAS":"333-07-3","Substance Name":"","SMILES":"COC(=O)CCCCCF"}
{"CAS":"333-25-5","Substance Name":"","SMILES":"O=[As](Cl)(Cl)C=CCl"}
{"CAS":"333-29-9","Substance Name":"","SMILES":"CCOP(=S)(N=C1SCCS1)OCC"}
{"CAS":"333-33-5","Substance Name":"","SMILES":"CC(C)(CCCCF)CCC(=O)O"}
{"CAS":"333-36-8","Substance Name":"","SMILES":"FC(F)(F)COCC(F)(F)F"}
{"CAS":"333-40-4","Substance Name":"","SMILES":"CCOP(=S)(OCC)Sc1nc(C)cc(C)n1"}
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{"CAS":"334-48-5","Substance Name":"","SMILES":"CCCCCCCCCC(=O)O"}
{"CAS":"334-50-9","Substance Name":"","SMILES":"NCCCCNCCCN"}
{"CAS":"334-52-1","Substance Name":"","SMILES":"FCCCCCCN=C=S"}
{"CAS":"334-56-5","Substance Name":"","SMILES":"CCCCCCCCCCF"}
{"CAS":"334-59-8","Substance Name":"","SMILES":"O=C(O)CCCCCCCCCF"}
{"CAS":"334-61-2","Substance Name":"","SMILES":"FCCCCCCCCCCBr"}
{"CAS":"334-62-3","Substance Name":"","SMILES":"FCCCCCCCCCCCl"}
{"CAS":"334-63-4","Substance Name":"","SMILES":"FCCCCCCCCCCF"}
{"CAS":"334-64-5","Substance Name":"","SMILES":"OCCCCCCCCCCF"}
{"CAS":"334-65-6","Substance Name":"","SMILES":"CCCCCCCCCC(=O)F"}
{"CAS":"334-68-9","Substance Name":"","SMILES":"CCCCCCCCCCCCF"}
{"CAS":"334-71-4","Substance Name":"","SMILES":"N#CCCCCCCCCCCCF"}
{"CAS":"334-75-8","Substance Name":"","SMILES":"FCCCCCCCCCCCCCCl"}
{"CAS":"335-21-7","Substance Name":"","SMILES":"FC(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F"}
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{"CAS":"337-47-3","Substance Name":"","SMILES":"C=CCC1(C(C)CCC)C(=O)NC(=S)NC1=O"}
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{"CAS":"338-43-2","Substance Name":"","SMILES":"CC[Si](F)(CC)OC(C)C"}
{"CAS":"339-16-2","Substance Name":"","SMILES":"COC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C"}
{"CAS":"339-32-2","Substance Name":"","SMILES":"CN(C)CCOP(=O)(OCCN(C)C)c1ccc(F)cc1"}
{"CAS":"339-43-5","Substance Name":"","SMILES":"CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1"}
{"CAS":"339-65-1","Substance Name":"","SMILES":"FCCOC(Cl)C(Cl)(Cl)Cl"}
{"CAS":"339-72-0","Substance Name":"","SMILES":"NC1CONC1=O"}
{"CAS":"340-48-7","Substance Name":"","SMILES":"Cc1c(Cl)cccc1-n1c(C)nc2ccccc2c1=O"}
{"CAS":"340-49-8","Substance Name":"","SMILES":"Cc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F"}
{"CAS":"340-52-3","Substance Name":"","SMILES":"COc1cc([N+](=O)[O-])ccc1-n1c(C)nc2ccccc2c1=O"}
{"CAS":"340-53-4","Substance Name":"","SMILES":"Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1Cl"}
{"CAS":"340-54-5","Substance Name":"","SMILES":"Cc1ccc(-n2c(C)nc3ccccc3c2=O)c(Cl)c1"}
{"CAS":"340-55-6","Substance Name":"","SMILES":"Cc1cc([N+](=O)[O-])ccc1-n1c(C)nc2ccccc2c1=O"}
{"CAS":"340-56-7","Substance Name":"","SMILES":"Cc1ccccc1-n1c(C)nc2ccccc2c1=O"}
{"CAS":"340-57-8","Substance Name":"","SMILES":"Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl"}
{"CAS":"340-94-3","Substance Name":"","SMILES":"Cc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1"}
{"CAS":"341-43-5","Substance Name":"","SMILES":"Cc1nc2ccccc2c(=O)n1-c1cccc2ccccc12"}
{"CAS":"341-69-5","Substance Name":"","SMILES":"Cc1ccccc1C(OCCN(C)C)c1ccccc1"}
{"CAS":"341-70-8","Substance Name":"","SMILES":"CCN(CC)CCN1c2ccccc2Sc2ccccc21"}
{"CAS":"341-88-8","Substance Name":"","SMILES":"CCCCCCCc1cc(O)c2ccccc2[n+]1[O-]"}
{"CAS":"342-69-8","Substance Name":"","SMILES":"CSc1ncnc2c1ncn2C1OC(CO)C(O)C1O"}
{"CAS":"342-95-0","Substance Name":"","SMILES":"NC(Cc1ccccc1N(CCCl)CCCl)C(=O)O"}
{"CAS":"343-21-5","Substance Name":"","SMILES":"FC(F)(F)c1cccc2c1Sc1ccccc1N2"}
{"CAS":"343-47-5","Substance Name":"","SMILES":"O=C(Nc1cccc2ccccc12)OCCF"}
{"CAS":"343-90-8","Substance Name":"","SMILES":"CN(C)Cc1c[nH]c2ccc(F)cc12"}
{"CAS":"343-94-2","Substance Name":"","SMILES":"NCCc1c[nH]c2ccccc12"}
{"CAS":"344-07-0","Substance Name":"","SMILES":"Fc1c(F)c(F)c(Cl)c(F)c1F"}
{"CAS":"344-62-7","Substance Name":"","SMILES":"CC(=O)Nc1ccccc1C(F)(F)F"}
{"CAS":"345-92-6","Substance Name":"","SMILES":"O=C(c1ccc(F)cc1)c1ccc(F)cc1"}
{"CAS":"346-18-9","Substance Name":"","SMILES":"CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O"}
{"CAS":"346-52-1","Substance Name":"","SMILES":"O=[N+]([O-])c1ccc(NN=C(C(F)(F)F)C(F)(F)F)c([N+](=O)[O-])c1"}
{"CAS":"349-04-2","Substance Name":"","SMILES":"O=[N+]([O-])c1cc(S(=O)(=O)F)ccc1Cl"}
{"CAS":"349-26-8","Substance Name":"","SMILES":"CCNCC(O)c1cccc(F)c1"}
{"CAS":"349-89-3","Substance Name":"","SMILES":"O=S(=O)(F)c1ccc(Cl)cc1"}
{"CAS":"350-03-8","Substance Name":"","SMILES":"CC(=O)c1cccnc1"}
{"CAS":"350-12-9","Substance Name":"","SMILES":"S=C1SCN(Cc2ccccc2)CN1Cc1ccccc1"}
{"CAS":"350-57-2","Substance Name":"","SMILES":"FC(F)C(F)(F)Oc1ccccc1"}
{"CAS":"350-65-2","Substance Name":"","SMILES":"O=P(F)(NC1CCCCC1)NC1CCCCC1"}
{"CAS":"350-90-3","Substance Name":"","SMILES":"O=C(O)C(F)=Cc1ccccc1"}
{"CAS":"351-05-3","Substance Name":"","SMILES":"O=C(CF)Nc1ccc(Br)cc1"}
{"CAS":"351-36-0","Substance Name":"","SMILES":"CC(=O)Nc1cccc(C(F)(F)F)c1"}
{"CAS":"351-61-1","Substance Name":"","SMILES":"FC(F)(F)CNc1ccccc1"}
{"CAS":"351-69-9","Substance Name":"","SMILES":"CCN(CC)CCOC(=O)COc1ccc(F)cc1"}
{"CAS":"351-83-7","Substance Name":"","SMILES":"CC(=O)Nc1ccc(F)cc1"}
{"CAS":"351-84-8","Substance Name":"","SMILES":"CC(=S)Nc1ccc(F)cc1"}
{"CAS":"352-82-9","Substance Name":"","SMILES":"CCOC(=O)CC(=O)CCCCCCCCCF"}
{"CAS":"352-91-0","Substance Name":"","SMILES":"FCCCBr"}
{"CAS":"352-95-4","Substance Name":"","SMILES":"CS(=O)(=O)OCCCCCCF"}
{"CAS":"353-03-7","Substance Name":"","SMILES":"CCOC(=O)CCCCCCCCCF"}
{"CAS":"353-12-8","Substance Name":"","SMILES":"O=C(O)CCOCCF"}
{"CAS":"353-13-9","Substance Name":"","SMILES":"N#CCCCCF"}
{"CAS":"353-14-0","Substance Name":"","SMILES":"O=CCCCCF"}
{"CAS":"353-15-1","Substance Name":"","SMILES":"C#CCCCCCF"}
{"CAS":"353-16-2","Substance Name":"","SMILES":"O=C=NCCCCF"}
{"CAS":"353-17-3","Substance Name":"","SMILES":"N#CSCCCCF"}
{"CAS":"353-18-4","Substance Name":"","SMILES":"N#CCCOCCF"}
{"CAS":"353-21-9","Substance Name":"","SMILES":"NCCCCCCCF"}
{"CAS":"353-22-0","Substance Name":"","SMILES":"COCCCCCCF"}
{"CAS":"353-25-3","Substance Name":"","SMILES":"O=C(O)CCCCCCCF"}
{"CAS":"353-29-7","Substance Name":"","SMILES":"FCCCCCCCCCCCCBr"}
{"CAS":"353-30-0","Substance Name":"","SMILES":"FCCCCCCCCCCCCF"}
{"CAS":"353-31-1","Substance Name":"","SMILES":"OCCCCCCCCCCCCF"}
{"CAS":"354-15-4","Substance Name":"","SMILES":"FC(Cl)C(F)(Cl)Cl"}
{"CAS":"354-21-2","Substance Name":"","SMILES":"FC(F)(Cl)C(Cl)Cl"}
{"CAS":"354-44-9","Substance Name":"","SMILES":"CN(C)S(=O)(=O)F"}
{"CAS":"354-58-5","Substance Name":"","SMILES":"FC(F)(F)C(Cl)(Cl)Cl"}
{"CAS":"355-42-0","Substance Name":"","SMILES":"FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"}
{"CAS":"356-12-7","Substance Name":"","SMILES":"CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C"}
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{"CAS":"495-62-5","Substance Name":"","SMILES":"CC(C)=CCCC(C)=C1CC=C(C)CC1"}
{"CAS":"495-65-8","Substance Name":"","SMILES":"CCCCN(CCCC)CCOC(=O)c1ccc(F)cc1"}
{"CAS":"495-73-8","Substance Name":"","SMILES":"O=C(NN=C1C=CC(=NO)C=C1)c1ccccc1"}
{"CAS":"495-74-9","Substance Name":"","SMILES":"CC#CC#CC(=O)c1ccccc1"}
{"CAS":"495-84-1","Substance Name":"","SMILES":"O=C(NN=Cc1ccccc1O)c1ccncc1"}
{"CAS":"495-85-2","Substance Name":"","SMILES":"COC1=CC(=O)OC(C=Cc2ccc3c(c2)OCO3)C1"}
{"CAS":"495-99-8","Substance Name":"","SMILES":"N=C(N)c1ccc(C=Cc2ccc(C(=N)N)cc2O)cc1"}
{"CAS":"496-06-0","Substance Name":"","SMILES":"CC(=O)CCC(=O)c1ccoc1"}
{"CAS":"496-15-1","Substance Name":"","SMILES":"c1ccc2c(c1)CCN2"}
{"CAS":"496-30-0","Substance Name":"","SMILES":"S=C1Cc2ccccc2N1"}
{"CAS":"496-41-3","Substance Name":"","SMILES":"O=C(O)c1cc2ccccc2o1"}
{"CAS":"496-65-1","Substance Name":"","SMILES":"CC(C)(CO)C(O)C(=O)NCCC(=O)NCCS"}
{"CAS":"496-67-3","Substance Name":"","SMILES":"CC(C)C(Br)C(=O)NC(N)=O"}
{"CAS":"496-74-2","Substance Name":"","SMILES":"Cc1ccc(S)c(S)c1"}
{"CAS":"497-18-7","Substance Name":"","SMILES":"NNC(=O)NN"}
{"CAS":"497-26-7","Substance Name":"","SMILES":"CC1OCCO1"}
{"CAS":"497-38-1","Substance Name":"","SMILES":"O=C1CC2CCC1C2"}
{"CAS":"497-39-2","Substance Name":"","SMILES":"Cc1cc(O)c(C(C)(C)C)cc1C(C)(C)C"}
{"CAS":"497-56-3","Substance Name":"","SMILES":"Cc1c(O)cc([N+](=O)[O-])cc1[N+](=O)[O-]"}
{"CAS":"498-02-2","Substance Name":"","SMILES":"COc1cc(C(C)=O)ccc1O"}
{"CAS":"498-16-8","Substance Name":"","SMILES":"C=C(C)C(CO)CC=C(C)C"}
{"CAS":"498-23-7","Substance Name":"","SMILES":"CC(=CC(=O)O)C(=O)O"}
{"CAS":"498-66-8","Substance Name":"","SMILES":"C1=CC2CCC1C2"}
{"CAS":"498-67-9","Substance Name":"","SMILES":"FC(Cl)(Cl)c1ccccc1"}
{"CAS":"498-81-7","Substance Name":"","SMILES":"CC1CCC(C(C)(C)O)CC1"}
{"CAS":"498-94-2","Substance Name":"","SMILES":"O=C(O)C1CCNCC1"}
{"CAS":"499-06-9","Substance Name":"","SMILES":"Cc1cc(C)cc(C(=O)O)c1"}
{"CAS":"499-12-7","Substance Name":"","SMILES":"O=C(O)C=C(CC(=O)O)C(=O)O"}
{"CAS":"499-44-5","Substance Name":"","SMILES":"CC(C)c1cccc(=O)c(O)c1"}
{"CAS":"499-61-6","Substance Name":"","SMILES":"NCC(=O)c1ccc(O)c(O)c1"}
{"CAS":"499-75-2","Substance Name":"","SMILES":"Cc1ccc(C(C)C)cc1O"}
{"CAS":"499-90-1","Substance Name":"","SMILES":"O=C(O)c1ccc(F)cc1"}
{"CAS":"500-28-7","Substance Name":"","SMILES":"COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(Cl)c1"}
{"CAS":"500-38-9","Substance Name":"","SMILES":"CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1"}
{"CAS":"500-42-5","Substance Name":"","SMILES":"Nc1ncnc(Nc2ccc(Cl)cc2)n1"}
{"CAS":"500-55-0","Substance Name":"","SMILES":"C=C(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1"}
{"CAS":"500-62-9","Substance Name":"","SMILES":"COc1ccc(C=Cc2cc(OC)cc(=O)o2)cc1"}
{"CAS":"500-64-1","Substance Name":"","SMILES":"COC1=CC(=O)OC(C=Cc2ccccc2)C1"}
{"CAS":"500-89-0","Substance Name":"","SMILES":"CCCCOc1ccc(NC(=S)Nc2ccc(N(C)C)cc2)cc1"}
{"CAS":"501-13-3","Substance Name":"","SMILES":"COc1cc(C=CC(=O)NCCCCN)ccc1O"}
{"CAS":"501-30-4","Substance Name":"","SMILES":"O=c1cc(CO)occ1O"}
{"CAS":"501-52-0","Substance Name":"","SMILES":"O=C(O)CCc1ccccc1"}
{"CAS":"501-53-1","Substance Name":"","SMILES":"O=C(Cl)OCc1ccccc1"}
{"CAS":"501-68-8","Substance Name":"","SMILES":"O=C(CCCl)NCc1ccccc1"}
{"CAS":"501-97-3","Substance Name":"","SMILES":"O=C(O)CCc1ccc(O)cc1"}
{"CAS":"501-98-4","Substance Name":"","SMILES":"O=C(O)C=Cc1ccc(O)cc1"}
{"CAS":"502-12-5","Substance Name":"","SMILES":"C#CC#CC=C=CC1CCC(=O)O1"}
{"CAS":"502-36-3","Substance Name":"","SMILES":"CCOC(=O)CC(=O)CCCCCCF"}
{"CAS":"502-39-6","Substance Name":"","SMILES":"C[Hg]NC(=N)NC#N"}
{"CAS":"502-44-3","Substance Name":"","SMILES":"O=C1CCCCCO1"}
{"CAS":"502-47-6","Substance Name":"","SMILES":"CC(C)=CCCC(C)CC(=O)O"}
{"CAS":"502-55-6","Substance Name":"","SMILES":"CCOC(=S)SSC(=S)OCC"}
{"CAS":"502-56-7","Substance Name":"","SMILES":"CCCCC(=O)CCCC"}
{"CAS":"502-59-0","Substance Name":"","SMILES":"CC(C)CCCC(C)NCCC(C)C"}
{"CAS":"502-84-1","Substance Name":"","SMILES":"O=C(O)CCCF"}
{"CAS":"503-09-3","Substance Name":"","SMILES":"FCC1CO1"}
{"CAS":"503-20-8","Substance Name":"","SMILES":"N#CCF"}
{"CAS":"503-30-0","Substance Name":"","SMILES":"C1COC1"}
{"CAS":"503-49-1","Substance Name":"","SMILES":"CC(O)(CC(=O)O)CC(=O)O"}
{"CAS":"503-74-2","Substance Name":"","SMILES":"CC(C)CC(=O)O"}
{"CAS":"503-87-7","Substance Name":"","SMILES":"O=C1CNC(=S)N1"}
{"CAS":"504-15-4","Substance Name":"","SMILES":"Cc1cc(O)cc(O)c1"}
{"CAS":"504-17-6","Substance Name":"","SMILES":"O=C1CC(=O)NC(=S)N1"}
{"CAS":"504-29-0","Substance Name":"","SMILES":"Nc1ccccn1"}
{"CAS":"504-62-1","Substance Name":"","SMILES":"N#CCCF"}
{"CAS":"504-63-2","Substance Name":"","SMILES":"OCCCO"}
{"CAS":"504-78-9","Substance Name":"","SMILES":"C1CSCN1"}
{"CAS":"504-79-0","Substance Name":"","SMILES":"C1=NCCS1"}
{"CAS":"504-88-1","Substance Name":"","SMILES":"O=C(O)CC[N+](=O)[O-]"}
{"CAS":"504-90-5","Substance Name":"","SMILES":"NC(=S)SSC(N)=S"}
{"CAS":"505-00-0","Substance Name":"","SMILES":"NC(CO)CSSCC(N)CO"}
{"CAS":"505-12-4","Substance Name":"","SMILES":"O=C=NCCF"}
{"CAS":"505-13-5","Substance Name":"","SMILES":"N#CSCCF"}
{"CAS":"505-23-7","Substance Name":"","SMILES":"C1CSCSC1"}
{"CAS":"505-29-3","Substance Name":"","SMILES":"C1CSCCS1"}
{"CAS":"505-34-0","Substance Name":"","SMILES":"CS(=O)(=O)CCCN=C=S"}
{"CAS":"505-44-2","Substance Name":"","SMILES":"CS(=O)CCCN=C=S"}
{"CAS":"505-60-2","Substance Name":"Ethane, 1,1'-thiobis[2-chloro-","Registry Name":"Mustard gas","SMILES":"ClCCSCCCl"}
{"CAS":"505-66-8","Substance Name":"","SMILES":"C1CNCCNC1"}
{"CAS":"505-71-5","Substance Name":"","SMILES":"O=[N+]([O-])NCCN[N+](=O)[O-]"}
{"CAS":"505-75-9","Substance Name":"","SMILES":"CCCC(O)C=CC=CC=CC#CC#CCCCO"}
{"CAS":"506-05-8","Substance Name":"","SMILES":"CCCCCCCCCCCF"}
{"CAS":"506-12-7","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCCC(=O)O"}
{"CAS":"506-49-0","Substance Name":"","SMILES":"FCCCCCCCCCCCCCCCCCCCCF"}
{"CAS":"506-64-9","Substance Name":"","SMILES":"N#C[Ag]"}
{"CAS":"506-77-4","Substance Name":"Cyanogen chloride ((CN)Cl)","Registry Name":"Cyanogen chloride","SMILES":"N#CCl"}
{"CAS":"506-96-7","Substance Name":"","SMILES":"CC(=O)Br"}
{"CAS":"507-09-5","Substance Name":"","SMILES":"CC(O)=S"}
{"CAS":"507-19-7","Substance Name":"","SMILES":"CC(C)(C)Br"}
{"CAS":"507-25-5","Substance Name":"","SMILES":"IC(I)(I)I"}
{"CAS":"507-28-8","Substance Name":"","SMILES":"c1ccc([As+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"}
{"CAS":"507-55-1","Substance Name":"","SMILES":"FC(Cl)C(F)(F)C(F)(F)Cl"}
{"CAS":"507-59-5","Substance Name":"","SMILES":"CC(=O)OCC12CCC(O)C=C1CCC1(O)C2CCC2(C)C(c3ccc(=O)oc3)CCC21O"}
{"CAS":"507-60-8","Substance Name":"","SMILES":"CC(=O)OC1CC2(O)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(OC3OC(CO)C(O)C(O)C3O)C=C12"}
{"CAS":"507-63-1","Substance Name":"","SMILES":"FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I"}
{"CAS":"507-87-9","Substance Name":"","SMILES":"COC1CC(OC2CCC3(C=O)C(CCC4C3C(O)CC3(C)C(C5=CC(=O)OC5)CCC43O)C2)OC(C)C1O"}
{"CAS":"507-88-0","Substance Name":"","SMILES":"COC1CC(OC2CCC3(C)C(CCC4C3C(O)C(=O)C3(C)C(C5=CC(=O)OC5)CCC43O)C2)OC(C)C1O"}
{"CAS":"508-02-1","Substance Name":"","SMILES":"CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1"}
{"CAS":"508-52-1","Substance Name":"","SMILES":"CC12CC(O)C3C(CCC4(O)CC(O)CC(O)C34CO)C1(O)CCC2C1=CC(=O)OC1"}
{"CAS":"508-54-3","Substance Name":"","SMILES":"COc1ccc2c3c1OC1C(=O)C=CC4(O)C(C2)N(C)CCC314"}
{"CAS":"508-59-8","Substance Name":"","SMILES":"C=C1C(=O)OC2C1CCC(C)C1(O)C=CC(=O)C21C"}
{"CAS":"508-64-5","Substance Name":"","SMILES":"CC12CCC3C(CCC4(O)CC(O)CCC34C(=O)O)C1(O)CCC2C1=CC(=O)OC1"}
{"CAS":"508-65-6","Substance Name":"","SMILES":"CC1CCC2N(C1)CC1C(C(O)C(O)C3(O)C1CC14OC5(O)C(O)CCC1(C)C5CC(O)C34)C2(C)O"}
{"CAS":"508-66-7","Substance Name":"","SMILES":"CCC(C)C(=O)OC1C(O)C2C(CN3CC(C)CCC3C2(C)O)C2CC34OC5(O)C(OC(C)=O)CCC3(C)C5CC(OC(C)=O)C4C21O"}
{"CAS":"508-75-8","Substance Name":"","SMILES":"CC1OC(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O"}
{"CAS":"508-77-0","Substance Name":"","SMILES":"COC1CC(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1O"}
{"CAS":"508-92-9","Substance Name":"","SMILES":"CC12CCC(O)CC1=CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O"}
{"CAS":"508-93-0","Substance Name":"","SMILES":"CC1OC(C)(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C(O)C(O)C1O"}
{"CAS":"509-14-8","Substance Name":"","SMILES":"O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]"}
{"CAS":"509-15-9","Substance Name":"","SMILES":"C=CC12CN(C)C3C4COC(CC41)C1(C(=O)Nc4ccccc41)C32"}
{"CAS":"509-18-2","Substance Name":"","SMILES":"CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14"}
{"CAS":"509-20-6","Substance Name":"","SMILES":"CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(O)C5C(O)(C(O)C6OC)C(C(OC)C23)C14"}
{"CAS":"509-24-0","Substance Name":"","SMILES":"C=C1C2CC3(C1O)C1CC4C5(C)CCC(O)C4(C1N(CC)C5)C3CC2=O"}
{"CAS":"509-36-4","Substance Name":"","SMILES":"COc1ccc2c(c1)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43"}
{"CAS":"509-44-4","Substance Name":"","SMILES":"COc1ccc2c(c1)N1C(=O)CC3OCC=C4CN5CCC26C5CC4C3C16"}
{"CAS":"509-56-8","Substance Name":"","SMILES":"CN1CCC23c4c5ccc(O)c4OC2C(C)(O)CCC3C1C5"}
{"CAS":"509-67-1","Substance Name":"","SMILES":"CN1CCC23c4c5ccc(OCCN6CCOCC6)c4OC2C(O)C=CC3C1C5"}
{"CAS":"509-72-8","Substance Name":"","SMILES":"Nc1ccc2c(c1)Oc1cc(N)ccc1C21OC(=O)c2ccccc21"}
{"CAS":"509-86-4","Substance Name":"","SMILES":"CCC1(C2=CCCCCC2)C(=O)NC(=O)NC1=O"}
{"CAS":"509-87-5","Substance Name":"","SMILES":"CCC1(N2CCCCC2)C(=O)NC(=O)NC1=O"}
{"CAS":"509-96-6","Substance Name":"","SMILES":"C=C(C)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2(O)C3=O)O1"}
{"CAS":"510-13-4","Substance Name":"","SMILES":"CN(C)c1ccc(C(O)(c2ccccc2)c2ccc(N(C)C)cc2)cc1"}
{"CAS":"510-15-6","Substance Name":"Benzeneacetic acid, 4-chloro-.alpha.-(4-chlorophenyl)-.alpha.-hydroxy-, ethyl ester","Registry Name":"Chlorobenzilate","SMILES":"CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1"}
{"CAS":"510-18-9","Substance Name":"","SMILES":"CC(=O)OC1OC(=O)C(C)(C(C)=O)C1C"}
{"CAS":"510-19-0","Substance Name":"","SMILES":"CCC=[N+](O)CCCCOC(=O)C(O)(C(C)C)C(C)O"}
{"CAS":"510-58-7","Substance Name":"","SMILES":"CC12CCC3C(CCC4(OC5OC(CO)C(O)C(O)C5O)C=CCCC34C=O)C1(O)CCC2c1ccc(=O)oc1"}
{"CAS":"510-59-8","Substance Name":"","SMILES":"CC1OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)CC(O)C1O"}
{"CAS":"510-83-8","Substance Name":"","SMILES":"CCC(CN(C)C)(C(=O)OCc1ccccc1)c1ccccc1"}
{"CAS":"510-90-7","Substance Name":"","SMILES":"C=CCC1(CC(C)C)C(=O)NC(=S)NC1=O"}
{"CAS":"511-09-1","Substance Name":"","SMILES":"CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12"}
{"CAS":"511-12-6","Substance Name":"","SMILES":"CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)CC2c3cccc4[nH]cc(c34)CC21"}
{"CAS":"511-13-7","Substance Name":"","SMILES":"CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl"}
{"CAS":"511-46-6","Substance Name":"","SMILES":"CCN(CC)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1"}
{"CAS":"511-55-7","Substance Name":"","SMILES":"C[N+]1(Cc2ccc(-c3ccccc3)cc2)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2"}
{"CAS":"511-70-6","Substance Name":"","SMILES":"CCC(Br)(CC)C(N)=O"}
{"CAS":"512-04-9","Substance Name":"","SMILES":"CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C"}
{"CAS":"512-16-3","Substance Name":"","SMILES":"CCC(C(=O)O)C1(O)CCCCC1"}
{"CAS":"512-24-3","Substance Name":"","SMILES":"O=C(O)CC(CO)(C(=O)O)C(=O)O"}
{"CAS":"512-48-1","Substance Name":"","SMILES":"C=CCC(CC)(CC)C(N)=O"}
{"CAS":"512-56-1","Substance Name":"","SMILES":"COP(=O)(OC)OC"}
{"CAS":"512-64-1","Substance Name":"","SMILES":"CSC1SCC2C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c3cnc4ccccc4n3)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c1cnc3ccccc3n1)C(=O)NC(C)C(=O)N2C"}
{"CAS":"512-85-6","Substance Name":"","SMILES":"CC(C)C12C=CC(C)(CC1)OO2"}
{"CAS":"513-10-0","Substance Name":"","SMILES":"CCOP(=O)(OCC)SCC[N+](C)(C)C"}
{"CAS":"513-12-2","Substance Name":"","SMILES":"CCS(=O)(=O)CCO"}
{"CAS":"513-15-5","Substance Name":"","SMILES":"N#CCCS(=O)(=O)O"}
{"CAS":"513-31-5","Substance Name":"","SMILES":"C=C(Br)CBr"}
{"CAS":"513-37-1","Substance Name":"","SMILES":"CC(C)=CCl"}
{"CAS":"513-38-2","Substance Name":"","SMILES":"CC(C)CI"}
{"CAS":"513-44-0","Substance Name":"","SMILES":"CC(C)CS"}
{"CAS":"513-85-9","Substance Name":"","SMILES":"CC(O)C(C)O"}
{"CAS":"513-86-0","Substance Name":"","SMILES":"CC(=O)C(C)O"}
{"CAS":"513-88-2","Substance Name":"","SMILES":"CC(=O)C(Cl)Cl"}
{"CAS":"513-92-8","Substance Name":"","SMILES":"IC(I)=C(I)I"}
{"CAS":"514-10-3","Substance Name":"","SMILES":"CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1"}
{"CAS":"514-36-3","Substance Name":"","SMILES":"CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC21C"}
{"CAS":"514-37-4","Substance Name":"","SMILES":"COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4C3C(O)CC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1O"}
{"CAS":"514-39-6","Substance Name":"","SMILES":"CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O"}
{"CAS":"514-42-1","Substance Name":"","SMILES":"COC1C(O)C(C)OC(OC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C1O"}
{"CAS":"514-44-3","Substance Name":"","SMILES":"COC1CC(OC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1O"}
{"CAS":"514-47-6","Substance Name":"","SMILES":"CC(C)=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3"}
{"CAS":"514-53-4","Substance Name":"","SMILES":"CN(C)C1C(=O)C(C(N)=O)C(=O)C2(O)C(=O)CC(C3(C)OC(=O)c4c(O)ccc(Cl)c43)CC12"}
{"CAS":"514-65-8","Substance Name":"","SMILES":"OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2"}
{"CAS":"514-78-3","Substance Name":"","SMILES":"CC(C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C"}
{"CAS":"515-03-7","Substance Name":"","SMILES":"C=CC(C)(O)CCC1C(C)(O)CCC2C(C)(C)CCCC21C"}
{"CAS":"515-13-9","Substance Name":"","SMILES":"C=CC1(C)CCC(C(=C)C)CC1C(=C)C"}
{"CAS":"515-49-1","Substance Name":"","SMILES":"NC(=S)NS(=O)(=O)c1ccc(N)cc1"}
{"CAS":"515-69-5","Substance Name":"","SMILES":"CC(C)=CCCC(C)(O)C1CC=C(C)CC1"}
{"CAS":"515-83-3","Substance Name":"","SMILES":"CCOC(O)C(Cl)(Cl)Cl"}
{"CAS":"516-05-2","Substance Name":"","SMILES":"CC(C(=O)O)C(=O)O"}
{"CAS":"516-12-1","Substance Name":"","SMILES":"O=C1CCC(=O)N1I"}
{"CAS":"516-95-0","Substance Name":"","SMILES":"CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C"}
{"CAS":"517-16-8","Substance Name":"","SMILES":"CC[Hg]N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1"}
{"CAS":"517-22-6","Substance Name":"","SMILES":"CCc1c(C)c[nH]c1C"}
{"CAS":"517-25-9","Substance Name":"","SMILES":"O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]"}
{"CAS":"517-89-5","Substance Name":"","SMILES":"CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O"}
{"CAS":"518-11-6","Substance Name":"","SMILES":"CNC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(O)c(=O)cc21"}
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{"CAS":"538-43-2","Substance Name":"","SMILES":"OCC(O)COc1ccccc1"}
{"CAS":"538-65-8","Substance Name":"","SMILES":"CCCCOC(=O)C=Cc1ccccc1"}
{"CAS":"538-66-9","Substance Name":"","SMILES":"CCN(CC)CCCOC(=O)C=Cc1ccccc1"}
{"CAS":"538-69-2","Substance Name":"","SMILES":"NC(N)=NNCCc1ccccc1"}
{"CAS":"538-71-6","Substance Name":"","SMILES":"CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1"}
{"CAS":"538-74-9","Substance Name":"","SMILES":"c1ccc(CSCc2ccccc2)cc1"}
{"CAS":"538-75-0","Substance Name":"","SMILES":"C(=NC1CCCCC1)=NC1CCCCC1"}
{"CAS":"539-03-7","Substance Name":"","SMILES":"CC(=O)Nc1ccc(Cl)cc1"}
{"CAS":"539-17-3","Substance Name":"","SMILES":"CN(C)c1ccc(N=Nc2ccc(N)cc2)cc1"}
{"CAS":"539-21-9","Substance Name":"","SMILES":"NC(=S)N=Nc1ccc(NN=C(N)N)cc1"}
{"CAS":"539-23-1","Substance Name":"","SMILES":"CCCCOc1ccc(N)cn1"}
{"CAS":"539-32-2","Substance Name":"","SMILES":"CCCCc1cccnc1"}
{"CAS":"539-35-5","Substance Name":"","SMILES":"O=C(O)CCCCCC1NC(=O)CS1"}
{"CAS":"539-44-6","Substance Name":"","SMILES":"Cc1ccc(NN)cc1"}
{"CAS":"539-47-9","Substance Name":"","SMILES":"O=C(O)C=Cc1ccco1"}
{"CAS":"539-83-3","Substance Name":"","SMILES":"NCCC(=O)NCCS"}
{"CAS":"539-86-6","Substance Name":"","SMILES":"C=CCSS(=O)CC=C"}
{"CAS":"539-88-8","Substance Name":"","SMILES":"CCOC(=O)CCC(C)=O"}
{"CAS":"539-90-2","Substance Name":"","SMILES":"CCCC(=O)OCC(C)C"}
{"CAS":"539-98-0","Substance Name":"","SMILES":"C#CC#CC=C=CC(O)CCC(=O)O"}
{"CAS":"540-07-8","Substance Name":"","SMILES":"CCCCCOC(=O)CCCCC"}
{"CAS":"540-09-0","Substance Name":"","SMILES":"CCCCCCCCCCCC(=O)CCCCCCCCCCC"}
{"CAS":"540-18-1","Substance Name":"","SMILES":"CCCCCOC(=O)CCC"}
{"CAS":"540-37-4","Substance Name":"","SMILES":"Nc1ccc(I)cc1"}
{"CAS":"540-42-1","Substance Name":"","SMILES":"CCC(=O)OCC(C)C"}
{"CAS":"540-54-5","Substance Name":"","SMILES":"CCCCl"}
{"CAS":"540-63-6","Substance Name":"","SMILES":"SCCS"}
{"CAS":"540-72-7","Substance Name":"","SMILES":"N#CS"}
{"CAS":"540-73-8","Substance Name":"","SMILES":"CNNC"}
{"CAS":"540-80-7","Substance Name":"","SMILES":"CC(C)(C)ON=O"}
{"CAS":"540-88-5","Substance Name":"","SMILES":"CC(=O)OC(C)(C)C"}
{"CAS":"540-92-1","Substance Name":"","SMILES":"CC(C)(O)S(=O)(=O)O"}
{"CAS":"540-97-6","Substance Name":"","SMILES":"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1"}
{"CAS":"541-02-6","Substance Name":"","SMILES":"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1"}
{"CAS":"541-15-1","Substance Name":"","SMILES":"C[N+](C)(C)CC(O)CC(=O)O"}
{"CAS":"541-20-8","Substance Name":"","SMILES":"C[N+](C)(C)CCCCC[N+](C)(C)C"}
{"CAS":"541-22-0","Substance Name":"","SMILES":"C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C"}
{"CAS":"541-23-1","Substance Name":"","SMILES":"CC(C)CCN"}
{"CAS":"541-25-3","Substance Name":"","SMILES":"ClC=C[As](Cl)Cl"}
{"CAS":"541-28-6","Substance Name":"","SMILES":"CC(C)CCI"}
{"CAS":"541-33-3","Substance Name":"","SMILES":"CCCC(Cl)Cl"}
{"CAS":"541-41-3","Substance Name":"","SMILES":"CCOC(=O)Cl"}
{"CAS":"541-47-9","Substance Name":"","SMILES":"CC(C)=CC(=O)O"}
{"CAS":"541-53-7","Substance Name":"","SMILES":"NC(=S)NC(N)=S"}
{"CAS":"541-58-2","Substance Name":"","SMILES":"Cc1csc(C)n1"}
{"CAS":"541-59-3","Substance Name":"","SMILES":"O=C1C=CC(=O)N1"}
{"CAS":"541-64-0","Substance Name":"","SMILES":"C[N+](C)(C)Cc1ccco1"}
{"CAS":"541-73-1","Substance Name":"Benzene, 1,3-dichloro-","Registry Name":"m-Dichlorobenzene","SMILES":"Clc1cccc(Cl)c1"}
{"CAS":"541-85-5","Substance Name":"","SMILES":"CCC(=O)CC(C)CC"}
{"CAS":"541-91-3","Substance Name":"","SMILES":"CC1CCCCCCCCCCCCC(=O)C1"}
{"CAS":"541-95-7","Substance Name":"","SMILES":"CCCC(C)OC(N)=O"}
{"CAS":"542-18-7","Substance Name":"","SMILES":"ClC1CCCCC1"}
{"CAS":"542-40-5","Substance Name":"","SMILES":"CC(C=CC=C(C)C=CC(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC(=O)O"}
{"CAS":"542-51-8","Substance Name":"","SMILES":"O=C(NCCCCF)NCCCCF"}
{"CAS":"542-54-1","Substance Name":"","SMILES":"CC(C)CCC#N"}
{"CAS":"542-55-2","Substance Name":"","SMILES":"CC(C)COC=O"}
{"CAS":"542-56-3","Substance Name":"","SMILES":"CC(C)CON=O"}
{"CAS":"542-58-5","Substance Name":"","SMILES":"CC(=O)OCCCl"}
{"CAS":"542-59-6","Substance Name":"","SMILES":"CC(=O)OCCO"}
{"CAS":"542-69-8","Substance Name":"","SMILES":"CCCCI"}
{"CAS":"542-75-6","Substance Name":"1-Propene, 1,3-dichloro-","Registry Name":"1,3-Dichloropropene","SMILES":"ClC=CCCl"}
{"CAS":"542-76-7","Substance Name":"","SMILES":"N#CCCCl"}
{"CAS":"542-78-9","Substance Name":"","SMILES":"O=CC=CO"}
{"CAS":"542-90-5","Substance Name":"","SMILES":"CCSC#N"}
{"CAS":"543-15-7","Substance Name":"","SMILES":"CC(N)CCCC(C)(C)O"}
{"CAS":"543-21-5","Substance Name":"","SMILES":"NC(=O)C#CC(N)=O"}
{"CAS":"543-38-4","Substance Name":"","SMILES":"NC(N)=NOCCC(N)C(=O)O"}
{"CAS":"543-39-5","Substance Name":"","SMILES":"C=CC(=C)CCCC(C)(C)O"}
{"CAS":"543-49-7","Substance Name":"","SMILES":"CCCCCC(C)O"}
{"CAS":"543-63-5","Substance Name":"","SMILES":"CCCC[Hg]Cl"}
{"CAS":"543-71-5","Substance Name":"","SMILES":"C1CNCSC1"}
{"CAS":"543-83-9","Substance Name":"","SMILES":"CC(C)=CCNC(=N)N"}
{"CAS":"543-87-3","Substance Name":"","SMILES":"CC(C)CCO[N+](=O)[O-]"}
{"CAS":"544-01-4","Substance Name":"","SMILES":"CC(C)CCOCCC(C)C"}
{"CAS":"544-04-7","Substance Name":"","SMILES":"NC(=O)C#CC#CC=CC(=O)O"}
{"CAS":"544-13-8","Substance Name":"","SMILES":"N#CCCCC#N"}
{"CAS":"544-16-1","Substance Name":"","SMILES":"CCCCON=O"}
{"CAS":"544-25-2","Substance Name":"","SMILES":"C1=CC=CCC=C1"}
{"CAS":"544-40-1","Substance Name":"","SMILES":"CCCCSCCCC"}
{"CAS":"544-43-4","Substance Name":"","SMILES":"CC(=O)CCCCCCCF"}
{"CAS":"544-44-5","Substance Name":"","SMILES":"NC(=O)C#CC#CC#CCO"}
{"CAS":"544-51-4","Substance Name":"","SMILES":"C#CC#CC=C=CC=CC=CCC(=O)O"}
{"CAS":"544-62-7","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCCCCOCC(O)CO"}
{"CAS":"544-63-8","Substance Name":"","SMILES":"CCCCCCCCCCCCCC(=O)O"}
{"CAS":"544-85-4","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC"}
{"CAS":"544-92-3","Substance Name":"Copper cyanide (Cu(CN))","Registry Name":"Copper(I) cyanide","SMILES":"N#C[Cu]"}
{"CAS":"545-06-2","Substance Name":"","SMILES":"N#CC(Cl)(Cl)Cl"}
{"CAS":"545-32-4","Substance Name":"","SMILES":"CC1OC(OC2CCC34C(=O)OC(CC5C3CCC3(C)C(C6=CC(=O)OC6)CCC53O)C4(O)C2)C(O)C(O)C1O"}
{"CAS":"545-36-8","Substance Name":"","SMILES":"COC1CC(OC2CCC3(C)C(C2)CC2OC4CC(C5=CC(=O)OC5)C5(C)C(=O)C(O)C3C2C45O)OC(C)C1O"}
{"CAS":"545-47-1","Substance Name":"","SMILES":"C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12"}
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{"CAS":"545-51-7","Substance Name":"","SMILES":"CC12CCC=CC1=CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12O"}
{"CAS":"545-55-1","Substance Name":"","SMILES":"O=P(N1CC1)(N1CC1)N1CC1"}
{"CAS":"545-56-2","Substance Name":"","SMILES":"CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6O)C(O)(C(OC)C23)C14"}
{"CAS":"545-91-5","Substance Name":"","SMILES":"CCC(=O)C(CC(C)N1CCOCC1)(c1ccccc1)c1ccccc1"}
{"CAS":"545-93-7","Substance Name":"","SMILES":"C=C(Br)CC1(C(C)C)C(=O)NC(=O)NC1=O"}
{"CAS":"546-02-1","Substance Name":"","SMILES":"CC1OC(OC2CCC3(CO)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C(O)C(O)C1O"}
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{"CAS":"546-04-3","Substance Name":"","SMILES":"CC12CCC3C(CC=C4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1"}
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{"CAS":"546-71-4","Substance Name":"","SMILES":"CCOP(=O)(CC)Oc1ccc([N+](=O)[O-])cc1"}
{"CAS":"546-80-5","Substance Name":"","SMILES":"CC1C(=O)CC2(C(C)C)CC12"}
{"CAS":"546-88-3","Substance Name":"","SMILES":"CC(=O)NO"}
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{"CAS":"547-44-4","Substance Name":"","SMILES":"NC(=O)NS(=O)(=O)c1ccc(N)cc1"}
{"CAS":"547-57-9","Substance Name":"","SMILES":"O=S(=O)(O)c1ccc(N=Nc2ccc(O)cc2O)cc1"}
{"CAS":"547-58-0","Substance Name":"","SMILES":"CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1"}
{"CAS":"547-91-1","Substance Name":"","SMILES":"O=S(=O)(O)c1cc(I)c(O)c2ncccc12"}
{"CAS":"548-00-5","Substance Name":"","SMILES":"CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O"}
{"CAS":"548-26-5","Substance Name":"","SMILES":"O=C(O)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12"}
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{"CAS":"548-42-5","Substance Name":"","SMILES":"CC1=CC2c3cccc4[nH]cc(c34)CC2N(C)C1"}
{"CAS":"548-43-6","Substance Name":"","SMILES":"CN1CC(CO)=CC2c3cccc4[nH]cc(c34)CC21"}
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{"CAS":"548-54-9","Substance Name":"","SMILES":"O=C1NC(c2c[nH]c3ccc(O)cc23)=CC1=C1C(=O)Nc2ccccc21"}
{"CAS":"548-59-4","Substance Name":"","SMILES":"O=C1C(O)=C(c2ccccc2)C(=O)C(O)=C1c1ccccc1"}
{"CAS":"548-62-9","Substance Name":"","SMILES":"CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1"}
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{"CAS":"548-65-2","Substance Name":"","SMILES":"CCN(CC)CCOC(=O)C1c2ccccc2-c2ccccc21"}
{"CAS":"548-66-3","Substance Name":"","SMILES":"CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1"}
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{"CAS":"548-73-2","Substance Name":"","SMILES":"O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1"}
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{"CAS":"548-84-5","Substance Name":"","SMILES":"Cc1cc(C=Cc2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1"}
{"CAS":"549-18-8","Substance Name":"","SMILES":"CN(C)CCC=C1c2ccccc2CCc2ccccc21"}
{"CAS":"549-21-3","Substance Name":"","SMILES":"COc1ccc2cc3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2"}
{"CAS":"549-76-8","Substance Name":"","SMILES":"CC1CCCC2CN3CCc4c([nH]c5ccccc45)C3CC12"}
{"CAS":"549-79-1","Substance Name":"","SMILES":"CC1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21"}
{"CAS":"549-84-8","Substance Name":"","SMILES":"COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21"}
{"CAS":"550-24-3","Substance Name":"","SMILES":"CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O"}
{"CAS":"550-28-7","Substance Name":"","SMILES":"C=C(C)Cn1c(N)cc(=O)n(C)c1=O"}
{"CAS":"550-33-4","Substance Name":"","SMILES":"OCC1OC(n2cnc3cncnc32)C(O)C1O"}
{"CAS":"550-34-5","Substance Name":"","SMILES":"CCN(CC)CCOC(=O)c1ccc(N)c2ccccc12"}
{"CAS":"550-70-9","Substance Name":"","SMILES":"Cc1ccc(C(=CCN2CCCC2)c2ccccn2)cc1"}
{"CAS":"550-83-4","Substance Name":"","SMILES":"CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC"}
{"CAS":"550-90-3","Substance Name":"","SMILES":"O=C1CCCC2C3CC(CN12)C1CCCCN1C3"}
{"CAS":"551-06-4","Substance Name":"","SMILES":"S=C=Nc1cccc2ccccc12"}
{"CAS":"551-08-6","Substance Name":"","SMILES":"CCCC=C1OC(=O)c2ccccc21"}
{"CAS":"551-11-1","Substance Name":"","SMILES":"CCCCCC(O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)O"}
{"CAS":"551-16-6","Substance Name":"","SMILES":"CC1(C)SC2C(N)C(=O)N2C1C(=O)O"}
{"CAS":"551-35-9","Substance Name":"","SMILES":"CC(C)NC(=O)c1ccccc1O"}
{"CAS":"551-36-0","Substance Name":"","SMILES":"CCN(CC)CCOC(=O)c1ccc(N)cc1O"}
{"CAS":"551-51-9","Substance Name":"","SMILES":"CN1CCN(CCC(=O)c2cc(-c3ccccc3)oc2-c2ccccc2)CC1"}
{"CAS":"551-58-6","Substance Name":"","SMILES":"CC(C)C(O)(C(=O)OCC1=CCN2CCCC12)C(C)O"}
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{"CAS":"552-41-0","Substance Name":"","SMILES":"COc1ccc(C(C)=O)c(O)c1"}
{"CAS":"552-59-0","Substance Name":"","SMILES":"COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1"}
{"CAS":"552-66-9","Substance Name":"","SMILES":"O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12"}
{"CAS":"552-72-7","Substance Name":"","SMILES":"CN1C(CC(O)c2ccccc2)CCCC1CC(O)c1ccccc1"}
{"CAS":"552-89-6","Substance Name":"","SMILES":"O=Cc1ccccc1[N+](=O)[O-]"}
{"CAS":"553-24-2","Substance Name":"","SMILES":"Cc1cc2nc3ccc(N(C)C)cc3nc2cc1N"}
{"CAS":"553-26-4","Substance Name":"","SMILES":"c1cc(-c2ccncc2)ccn1"}
{"CAS":"553-27-5","Substance Name":"","SMILES":"ClCCN(CCCl)c1ccccc1"}
{"CAS":"553-28-6","Substance Name":"","SMILES":"COc1cc2c(cc1OC)CC[N+](C)=C2"}
{"CAS":"553-53-7","Substance Name":"","SMILES":"NNC(=O)c1cccnc1"}
{"CAS":"553-58-2","Substance Name":"","SMILES":"CC(C)CNCCOC(=O)c1cccc(N)c1"}
{"CAS":"553-68-4","Substance Name":"","SMILES":"CC(C)CNCCOC(=O)c1ccc(N)cc1"}
{"CAS":"553-69-5","Substance Name":"","SMILES":"OC(CNc1ccccn1)c1ccccc1"}
{"CAS":"553-79-7","Substance Name":"","SMILES":"CCCOc1ccc([N+](=O)[O-])cc1N"}
{"CAS":"553-84-4","Substance Name":"","SMILES":"CC(C)CCC(=O)c1ccoc1"}
{"CAS":"554-00-7","Substance Name":"","SMILES":"Nc1ccc(Cl)cc1Cl"}
{"CAS":"554-12-1","Substance Name":"","SMILES":"CCC(=O)OC"}
{"CAS":"554-14-3","Substance Name":"","SMILES":"Cc1cccs1"}
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{"CAS":"554-57-4","Substance Name":"","SMILES":"CC(=O)N=c1sc(S(N)(=O)=O)nn1C"}
{"CAS":"554-72-3","Substance Name":"","SMILES":"NC(=O)CNc1ccc([As](=O)(O)O)cc1"}
{"CAS":"554-76-7","Substance Name":"","SMILES":"Nc1ccc([Sb](=O)(O)O)cc1"}
{"CAS":"554-84-7","Substance Name":"Phenol, 3-nitro-","Registry Name":"m-Nitrophenol","SMILES":"O=[N+]([O-])c1cccc(O)c1"}
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{"CAS":"555-21-5","Substance Name":"","SMILES":"N#CCc1ccc([N+](=O)[O-])cc1"}
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{"CAS":"555-37-3","Substance Name":"","SMILES":"CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1"}
{"CAS":"555-60-2","Substance Name":"","SMILES":"N#CC(C#N)=NNc1cccc(Cl)c1"}
{"CAS":"555-66-8","Substance Name":"","SMILES":"CCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1"}
{"CAS":"555-72-6","Substance Name":"","SMILES":"ON=CC(C=NO)=NO"}
{"CAS":"555-77-1","Substance Name":"","SMILES":"ClCCN(CCCl)CCCl"}
{"CAS":"555-84-0","Substance Name":"","SMILES":"O=C1NCCN1/N=C/c1ccc([N+](=O)[O-])o1"}
{"CAS":"555-89-5","Substance Name":"","SMILES":"Clc1ccc(OCOc2ccc(Cl)cc2)cc1"}
{"CAS":"556-12-7","Substance Name":"","SMILES":"Nc1ncc(C=Cc2ccc([N+](=O)[O-])o2)nn1"}
{"CAS":"556-18-3","Substance Name":"","SMILES":"Nc1ccc(C=O)cc1"}
{"CAS":"556-24-1","Substance Name":"","SMILES":"COC(=O)CC(C)C"}
{"CAS":"556-52-5","Substance Name":"","SMILES":"OCC1CO1"}
{"CAS":"556-56-9","Substance Name":"","SMILES":"C=CCI"}
{"CAS":"556-61-6","Substance Name":"","SMILES":"CN=C=S"}
{"CAS":"556-64-9","Substance Name":"","SMILES":"CSC#N"}
{"CAS":"556-67-2","Substance Name":"","SMILES":"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1"}
{"CAS":"556-82-1","Substance Name":"","SMILES":"CC(C)=CCO"}
{"CAS":"556-88-7","Substance Name":"","SMILES":"NC(N)=N[N+](=O)[O-]"}
{"CAS":"556-90-1","Substance Name":"","SMILES":"N=C1NC(=O)CS1"}
{"CAS":"557-00-6","Substance Name":"","SMILES":"CCCOC(=O)CC(C)C"}
{"CAS":"557-21-1","Substance Name":"","SMILES":"N#C[Zn]C#N"}
{"CAS":"557-30-2","Substance Name":"","SMILES":"ON=CC=NO"}
{"CAS":"557-36-8","Substance Name":"","SMILES":"CCCCCCC(C)I"}
{"CAS":"557-40-4","Substance Name":"","SMILES":"C=CCOCC=C"}
{"CAS":"557-48-2","Substance Name":"","SMILES":"CCC=CCCC=CC=O"}
{"CAS":"557-66-4","Substance Name":"","SMILES":"CCN"}
{"CAS":"558-13-4","Substance Name":"","SMILES":"BrC(Br)(Br)Br"}
{"CAS":"558-25-8","Substance Name":"","SMILES":"CS(=O)(=O)F"}
{"CAS":"558-30-5","Substance Name":"","SMILES":"CC1(C)CO1"}
{"CAS":"559-11-5","Substance Name":"","SMILES":"C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"}
{"CAS":"559-49-9","Substance Name":"","SMILES":"CC1CC23C4CCCN2CC2OC2C13C1CC4OC1=O"}
{"CAS":"559-82-0","Substance Name":"","SMILES":"CC1CCC2N(C1)CC1C3(O)CC4(O)C(CCC5C(=O)C(O)CCC54C)C3(O)CC(O)C1(O)C2(C)O"}
{"CAS":"560-48-5","Substance Name":"","SMILES":"CCC(C)C(=O)OC1C(O)C2C(CN3CC(C)CCC3C2(C)O)C2CC34OC5(O)C(OC(=O)C(C)(O)CC)CCC3(C)C5CC(OC(C)=O)C4C21O"}
{"CAS":"560-53-2","Substance Name":"","SMILES":"COC1CC(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1O"}
{"CAS":"560-95-2","Substance Name":"","SMILES":"O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]"}
{"CAS":"561-05-7","Substance Name":"","SMILES":"CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(=O)C(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14"}
{"CAS":"561-25-1","Substance Name":"","SMILES":"COC1=CCC2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5"}
{"CAS":"561-43-3","Substance Name":"","SMILES":"C[N+]1(C)CCCC1COC(=O)C(O)(c1ccccc1)C1CCCCC1"}
{"CAS":"561-77-3","Substance Name":"","SMILES":"O=C(OCCN1CCCCC1)C1(C2CCCCC2)CCCCC1"}
{"CAS":"561-78-4","Substance Name":"","SMILES":"CCC(=O)OC1(c2ccccc2)CCN(C)CC1C"}
{"CAS":"561-79-5","Substance Name":"","SMILES":"CCN(CC)CCOC(=O)C1(c2ccc(C)c(C)c2)CCCC1"}
{"CAS":"561-94-4","Substance Name":"","SMILES":"CC(C)CC1C(=O)N2CCCC2C2(O)OC(C)(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)C(=O)N12"}
{"CAS":"562-09-4","Substance Name":"","SMILES":"CN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1"}
{"CAS":"562-17-4","Substance Name":"","SMILES":"CCN(CC)P(=O)(F)N(CC)CC"}
{"CAS":"562-21-0","Substance Name":"","SMILES":"CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C13OC3CC2c1ccc(=O)oc1"}
{"CAS":"562-40-3","Substance Name":"","SMILES":"CCOP(OCC)[N+](CC)(CC)P(=O)(O)OC"}
{"CAS":"562-74-3","Substance Name":"","SMILES":"CC1=CCC(O)(C(C)C)CC1"}
{"CAS":"562-94-7","Substance Name":"","SMILES":"C#CC1(OC(=O)NC(N)=O)CCCCC1"}
{"CAS":"563-11-1","Substance Name":"","SMILES":"OC(CCCCCF)(CCCCCCF)CCCCCCF"}
{"CAS":"563-12-2","Substance Name":"","SMILES":"CCOP(=S)(OCC)SCSP(=S)(OCC)OCC"}
{"CAS":"563-41-7","Substance Name":"","SMILES":"NNC(N)=O"}
{"CAS":"563-47-3","Substance Name":"","SMILES":"C=C(C)CCl"}
{"CAS":"563-54-2","Substance Name":"","SMILES":"CC(Cl)=CCl"}
{"CAS":"563-68-8","Substance Name":"Acetic acid, thallium(1+) salt (1:1)","Registry Name":"Thallium(I) acetate","SMILES":"CC(=O)O"}
{"CAS":"563-80-4","Substance Name":"2-Butanone, 3-methyl-","Registry Name":"Methyl isopropyl ketone","SMILES":"CC(=O)C(C)C"}
{"CAS":"563-97-3","Substance Name":"","SMILES":"CC(Br)[N+](=O)[O-]"}
{"CAS":"564-12-5","Substance Name":"","SMILES":"COC(=O)C1CCCC2(C)C1C(O)CC(C)C2(O)CCc1ccoc1"}
{"CAS":"564-94-3","Substance Name":"","SMILES":"CC1(C)C2CC=C(C=O)C1C2"}
{"CAS":"565-20-8","Substance Name":"","SMILES":"CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1"}
{"CAS":"565-25-3","Substance Name":"","SMILES":"O=P(F)(N1CCOCC1)N1CCOCC1"}
{"CAS":"565-29-7","Substance Name":"","SMILES":"CCOP(OCC)OP(=O)(OC)N1CCCCC1"}
{"CAS":"565-30-0","Substance Name":"","SMILES":"CCOP(OCC)OP(=O)(OC)N1CCOCC1"}
{"CAS":"565-31-1","Substance Name":"","SMILES":"CC1(c2ccc(F)cc2)SCCS1"}
{"CAS":"565-36-6","Substance Name":"","SMILES":"Nc1cccc(S(=O)(=O)Nc2ncc(Cl)cn2)c1"}
{"CAS":"565-64-0","Substance Name":"","SMILES":"O=C(O)C(Cl)CCl"}
{"CAS":"565-67-3","Substance Name":"","SMILES":"CCC(O)C(C)C"}
{"CAS":"565-74-2","Substance Name":"","SMILES":"CC(C)C(Br)C(=O)O"}
{"CAS":"565-80-0","Substance Name":"","SMILES":"CC(C)C(=O)C(C)C"}
{"CAS":"567-47-5","Substance Name":"","SMILES":"O=S(=O)(O)c1c(O)ccc2ccccc12"}
{"CAS":"567-61-3","Substance Name":"","SMILES":"Cc1cccc(O)c1C(=O)O"}
{"CAS":"568-21-8","Substance Name":"","SMILES":"COc1cc2c3c(c1O)-c1c(cccc1OC)CC3N(C)CC2"}
{"CAS":"568-69-4","Substance Name":"","SMILES":"COc1ccc(C(CN(C)C)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1"}
{"CAS":"568-75-2","Substance Name":"","SMILES":"Cc1c2ccccc2c(CO)c2ccc3ccccc3c12"}
{"CAS":"568-76-3","Substance Name":"","SMILES":"CC(O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O"}
{"CAS":"569-15-3","Substance Name":"","SMILES":"O=C1C=CC(=O)c2c1ccc1ccccc21"}
{"CAS":"569-26-6","Substance Name":"","SMILES":"CC1CC2c3cccc4[nH]cc(c34)CC2N(C)C1"}
{"CAS":"569-61-9","Substance Name":"","SMILES":"N=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1"}
{"CAS":"569-64-2","Substance Name":"","SMILES":"CN(C)c1ccc([C+](c2ccccc2)c2ccc(N(C)C)cc2)cc1"}
{"CAS":"569-65-3","Substance Name":"","SMILES":"Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1"}
{"CAS":"569-90-4","Substance Name":"","SMILES":"COc1c(OC2OC(CO)C(O)C(O)C2O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O"}
{"CAS":"570-22-9","Substance Name":"","SMILES":"O=C(O)c1nc[nH]c1C(=O)O"}
{"CAS":"572-48-5","Substance Name":"","SMILES":"CCOP(=S)(OCC)Oc1ccc2c3c(c(=O)oc2c1)CCCC3"}
{"CAS":"573-20-6","Substance Name":"","SMILES":"CC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12"}
{"CAS":"573-56-8","Substance Name":"","SMILES":"O=[N+]([O-])c1cccc([N+](=O)[O-])c1O"}
{"CAS":"573-58-0","Substance Name":"","SMILES":"Nc1c(N=Nc2ccc(-c3ccc(N=Nc4cc(S(=O)(=O)O)c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)O)c2ccccc12"}
{"CAS":"573-84-2","Substance Name":"","SMILES":"COc1ccc(COC(=O)CO)c2nc3cccc(C(=O)O)c3nc12"}
{"CAS":"573-94-4","Substance Name":"","SMILES":"CC1CCC2C(C)C(=O)OCC12"}
{"CAS":"573-97-7","Substance Name":"","SMILES":"Oc1ccc2ccccc2c1Br"}
{"CAS":"574-17-4","Substance Name":"","SMILES":"CC(=O)N1C(=O)C(=O)c2ccccc21"}
{"CAS":"574-25-4","Substance Name":"","SMILES":"OCC1OC(n2cnc3c(=S)nc[nH]c32)C(O)C1O"}
{"CAS":"574-66-3","Substance Name":"","SMILES":"ON=C(c1ccccc1)c1ccccc1"}
{"CAS":"574-92-5","Substance Name":"","SMILES":"O=C(O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O"}
{"CAS":"576-22-7","Substance Name":"","SMILES":"Cc1cccc(C)c1Br"}
{"CAS":"576-24-9","Substance Name":"","SMILES":"Oc1cccc(Cl)c1Cl"}
{"CAS":"576-26-1","Substance Name":"","SMILES":"Cc1cccc(C)c1O"}
{"CAS":"576-68-1","Substance Name":"","SMILES":"OC(CNCCCl)C(O)C(O)C(O)CNCCCl"}
{"CAS":"576-97-6","Substance Name":"","SMILES":"NS(=O)(=O)c1ccc(NC(CC(c2ccccc2)S(=O)(=O)O)S(=O)(=O)O)cc1"}
{"CAS":"577-11-7","Substance Name":"","SMILES":"CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O"}
{"CAS":"577-47-9","Substance Name":"","SMILES":"O=C1CN(C(=O)c2ccccc2)C(=S)N1"}
{"CAS":"577-59-3","Substance Name":"","SMILES":"CC(=O)c1ccccc1[N+](=O)[O-]"}
{"CAS":"577-66-2","Substance Name":"","SMILES":"CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C"}
{"CAS":"577-71-9","Substance Name":"","SMILES":"O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]"}
{"CAS":"577-85-5","Substance Name":"","SMILES":"O=c1c(O)c(-c2ccccc2)oc2ccccc12"}
{"CAS":"577-91-3","Substance Name":"","SMILES":"O=C(O)C(Cc1cc(I)c(O)c(I)c1)c1ccccc1"}
{"CAS":"577-92-4","Substance Name":"","SMILES":"CC(C)(C)c1ccc(O)c(-c2ccccc2)c1"}
{"CAS":"578-06-3","Substance Name":"","SMILES":"Nc1cccc2nc3ccccc3cc12"}
{"CAS":"578-07-4","Substance Name":"","SMILES":"Nc1cccc2cc3ccccc3nc12"}
{"CAS":"578-54-1","Substance Name":"","SMILES":"CCc1ccccc1N"}
{"CAS":"578-57-4","Substance Name":"","SMILES":"COc1ccccc1Br"}
{"CAS":"578-94-9","Substance Name":"","SMILES":"Cl[As]1c2ccccc2Nc2ccccc21"}
{"CAS":"579-10-2","Substance Name":"","SMILES":"CC(=O)N(C)c1ccccc1"}
{"CAS":"579-13-5","Substance Name":"","SMILES":"CCC1C=CC=CCC(C)C(O)C(C)(O)C(=O)C(C)C(O)C(C)C(=O)C(C)C(O)C(C)C=CC(=O)OC2C(C)C(CC1)OC1(CCC(C)C(CC(C)O)O1)C2C"}
{"CAS":"579-23-7","Substance Name":"","SMILES":"COc1cc(C=C2CCCC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O"}
{"CAS":"579-38-4","Substance Name":"","SMILES":"CN(C(=O)C(Cl)Cl)c1ccc(O)cc1"}
{"CAS":"579-56-6","Substance Name":"","SMILES":"CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1"}
{"CAS":"579-66-8","Substance Name":"","SMILES":"CCc1cccc(CC)c1N"}
{"CAS":"579-75-9","Substance Name":"","SMILES":"COc1ccccc1C(=O)O"}
{"CAS":"579-92-0","Substance Name":"","SMILES":"O=C(O)c1ccccc1Nc1ccccc1C(=O)O"}
{"CAS":"580-17-6","Substance Name":"","SMILES":"Nc1cnc2ccccc2c1"}
{"CAS":"580-18-7","Substance Name":"","SMILES":"Oc1cnc2ccccc2c1"}
{"CAS":"580-48-3","Substance Name":"","SMILES":"CCN(CC)c1nc(Cl)nc(N(CC)CC)n1"}
{"CAS":"580-74-5","Substance Name":"","SMILES":"[C-]#[N+]C(=Cc1ccc(O)cc1)C(=Cc1ccc(O)cc1)[N+]#[C-]"}
{"CAS":"581-08-8","Substance Name":"","SMILES":"CCOc1ccccc1NC(C)=O"}
{"CAS":"581-12-4","Substance Name":"","SMILES":"CC(C)CC(=O)CC1(C)CCC(c2ccoc2)O1"}
{"CAS":"581-28-2","Substance Name":"","SMILES":"Nc1ccc2nc3ccccc3cc2c1"}
{"CAS":"581-29-3","Substance Name":"","SMILES":"Nc1ccc2cc3ccccc3nc2c1"}
{"CAS":"581-50-0","Substance Name":"","SMILES":"c1ccc(-c2cccnc2)nc1"}
{"CAS":"581-64-6","Substance Name":"","SMILES":"N=c1ccc2nc3ccc(N)cc3sc-2c1"}
{"CAS":"581-89-5","Substance Name":"","SMILES":"O=[N+]([O-])c1ccc2ccccc2c1"}
{"CAS":"581-96-4","Substance Name":"","SMILES":"O=C(O)Cc1ccc2ccccc2c1"}
{"CAS":"582-17-2","Substance Name":"","SMILES":"Oc1ccc2ccc(O)cc2c1"}
{"CAS":"582-40-1","Substance Name":"","SMILES":"CC(C)(C)NCC(O)c1cccc(F)c1"}
{"CAS":"582-42-3","Substance Name":"","SMILES":"CCCCNCC(O)c1cccc(F)c1"}
{"CAS":"582-52-5","Substance Name":"","SMILES":"CC1(C)OCC(C2OC3OC(C)(C)OC3C2O)O1"}
{"CAS":"582-60-5","Substance Name":"","SMILES":"Cc1cc2nc[nH]c2cc1C"}
{"CAS":"583-03-9","Substance Name":"","SMILES":"CCCCC(O)c1ccccc1"}
{"CAS":"583-06-2","Substance Name":"","SMILES":"O=C(O)C=CC(=O)c1ccccc1"}
{"CAS":"583-16-4","Substance Name":"","SMILES":"O=C(OCCCCCF)c1ccccc1"}
{"CAS":"583-33-5","Substance Name":"","SMILES":"CCCCOC(=O)c1ccco1"}
{"CAS":"583-39-1","Substance Name":"","SMILES":"S=c1[nH]c2ccccc2[nH]1"}
{"CAS":"583-46-0","Substance Name":"","SMILES":"O=C1NC(=S)NC1=Cc1ccccc1"}
{"CAS":"583-59-5","Substance Name":"","SMILES":"CC1CCCCC1O"}
{"CAS":"583-60-8","Substance Name":"","SMILES":"CC1CCCCC1=O"}
{"CAS":"583-78-8","Substance Name":"","SMILES":"Oc1cc(Cl)ccc1Cl"}
{"CAS":"583-80-2","Substance Name":"","SMILES":"Cc1cccc(=O)c(O)c1"}
{"CAS":"583-91-5","Substance Name":"","SMILES":"CSCCC(O)C(=O)O"}
{"CAS":"584-02-1","Substance Name":"","SMILES":"CCC(O)CC"}
{"CAS":"584-03-2","Substance Name":"","SMILES":"CCC(O)CO"}
{"CAS":"584-04-3","Substance Name":"","SMILES":"OC(CS)CS"}
{"CAS":"584-08-7","Substance Name":"","SMILES":"O=C(O)O"}
{"CAS":"584-13-4","Substance Name":"","SMILES":"Nn1cnnc1"}
{"CAS":"584-26-9","Substance Name":"","SMILES":"CC(=O)N1CC(=O)NC1=S"}
{"CAS":"584-28-1","Substance Name":"","SMILES":"CCCC(=O)c1c(O)c(CC2C(=O)C(=C(O)CCC)C(=O)C(C)(C)C2=O)c(O)c(C)c1OC"}
{"CAS":"584-33-8","Substance Name":"","SMILES":"Oc1cc(Cl)c(Cl)c(Cl)c1Cc1c(O)cc(Cl)c(Cl)c1Cl"}
{"CAS":"584-84-9","Substance Name":"","SMILES":"Cc1ccc(N=C=O)cc1N=C=O"}
{"CAS":"585-07-9","Substance Name":"","SMILES":"C=C(C)C(=O)OC(C)(C)C"}
{"CAS":"586-06-1","Substance Name":"","SMILES":"CC(C)NCC(O)c1cc(O)cc(O)c1"}
{"CAS":"586-11-8","Substance Name":"","SMILES":"O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1"}
{"CAS":"586-62-9","Substance Name":"","SMILES":"CC1=CCC(=C(C)C)CC1"}
{"CAS":"586-76-5","Substance Name":"","SMILES":"O=C(O)c1ccc(Br)cc1"}
{"CAS":"586-95-8","Substance Name":"","SMILES":"OCc1ccncc1"}
{"CAS":"586-98-1","Substance Name":"","SMILES":"OCc1ccccn1"}
{"CAS":"587-02-0","Substance Name":"","SMILES":"CCc1cccc(N)c1"}
{"CAS":"587-46-2","Substance Name":"","SMILES":"CN(C)C(=O)Oc1ccc[n+](Cc2ccccc2)c1"}
{"CAS":"587-61-1","Substance Name":"","SMILES":"CCCOC(=O)Cn1cc(I)c(=O)c(I)c1"}
{"CAS":"587-63-3","Substance Name":"","SMILES":"COC1=CC(=O)OC(CCc2ccccc2)C1"}
{"CAS":"587-65-5","Substance Name":"","SMILES":"O=C(CCl)Nc1ccccc1"}
{"CAS":"587-66-6","Substance Name":"","SMILES":"O=C(CF)NC1CCCCC1"}
{"CAS":"587-98-4","Substance Name":"","SMILES":"O=S(=O)(O)c1cccc(N=Nc2ccc(Nc3ccccc3)cc2)c1"}
{"CAS":"588-07-8","Substance Name":"","SMILES":"CC(=O)Nc1cccc(Cl)c1"}
{"CAS":"588-16-9","Substance Name":"","SMILES":"COc1cccc(NC(C)=O)c1"}
{"CAS":"588-20-5","Substance Name":"","SMILES":"Cc1cc(OCC(=O)O)ccc1Cl"}
{"CAS":"588-42-1","Substance Name":"","SMILES":"O=[N+]([O-])OCCN(CCO[N+](=O)[O-])CCO[N+](=O)[O-]"}
{"CAS":"588-46-5","Substance Name":"","SMILES":"CC(=O)NCc1ccccc1"}
{"CAS":"588-53-4","Substance Name":"","SMILES":"Oc1ccc(N=Cc2ccccc2)cc1"}
{"CAS":"588-59-0","Substance Name":"","SMILES":"C(=Cc1ccccc1)c1ccccc1"}
{"CAS":"588-68-1","Substance Name":"","SMILES":"C(=NN=Cc1ccccc1)c1ccccc1"}
{"CAS":"589-16-2","Substance Name":"","SMILES":"CCc1ccc(N)cc1"}
{"CAS":"589-18-4","Substance Name":"","SMILES":"Cc1ccc(CO)cc1"}
{"CAS":"589-32-2","Substance Name":"","SMILES":"CCN(CC)CCSSCCN(CC)CC"}
{"CAS":"589-41-3","Substance Name":"","SMILES":"CCOC(=O)NO"}
{"CAS":"589-59-3","Substance Name":"","SMILES":"CC(C)COC(=O)CC(C)C"}
{"CAS":"589-61-7","Substance Name":"","SMILES":"CC(CCCCCCCCF)CC(=O)O"}
{"CAS":"589-79-7","Substance Name":"","SMILES":"CCOC(=O)CCCCCF"}
{"CAS":"589-82-2","Substance Name":"","SMILES":"CCCCC(O)CC"}
{"CAS":"589-92-4","Substance Name":"","SMILES":"CC1CCC(=O)CC1"}
{"CAS":"589-93-5","Substance Name":"","SMILES":"Cc1ccc(C)nc1"}
{"CAS":"589-98-0","Substance Name":"","SMILES":"CCCCCC(O)CC"}
{"CAS":"590-01-2","Substance Name":"","SMILES":"CCCCOC(=O)CC"}
{"CAS":"590-05-6","Substance Name":"","SMILES":"CCCCCCC(=O)CF"}
{"CAS":"590-12-5","Substance Name":"","SMILES":"BrC=CBr"}
{"CAS":"590-21-6","Substance Name":"","SMILES":"CC=CCl"}
{"CAS":"590-28-3","Substance Name":"","SMILES":"N#CO"}
{"CAS":"590-61-4","Substance Name":"","SMILES":"CCOP(OCC)OP(=O)(OC)N(C)C"}
{"CAS":"590-63-6","Substance Name":"","SMILES":"CC(C[N+](C)(C)C)OC(N)=O"}
{"CAS":"590-69-2","Substance Name":"","SMILES":"CCCCNP(=O)(F)NCCCC"}
{"CAS":"590-86-3","Substance Name":"","SMILES":"CC(C)CC=O"}
{"CAS":"590-88-5","Substance Name":"","SMILES":"CC(N)CCN"}
{"CAS":"591-07-1","Substance Name":"","SMILES":"CC(=O)NC(N)=O"}
{"CAS":"591-08-2","Substance Name":"","SMILES":"CC(=O)NC(N)=S"}
{"CAS":"591-11-7","Substance Name":"","SMILES":"CC1C=CC(=O)O1"}
{"CAS":"591-12-8","Substance Name":"","SMILES":"CC1=CCC(=O)O1"}
{"CAS":"591-17-3","Substance Name":"","SMILES":"Cc1cccc(Br)c1"}
{"CAS":"591-23-1","Substance Name":"","SMILES":"CC1CCCC(O)C1"}
{"CAS":"591-27-5","Substance Name":"","SMILES":"Nc1cccc(O)c1"}
{"CAS":"591-33-3","Substance Name":"","SMILES":"CCOc1cccc(NC(C)=O)c1"}
{"CAS":"591-35-5","Substance Name":"","SMILES":"Oc1cc(Cl)cc(Cl)c1"}
{"CAS":"591-50-4","Substance Name":"","SMILES":"Ic1ccccc1"}
{"CAS":"591-60-6","Substance Name":"","SMILES":"CCCCOC(=O)CC(C)=O"}
{"CAS":"591-62-8","Substance Name":"","SMILES":"CCCCNC(=O)OCC"}
{"CAS":"591-69-5","Substance Name":"","SMILES":"O=C(CCCCCF)OCCF"}
{"CAS":"591-74-2","Substance Name":"","SMILES":"O=C(CCCCCCCCCF)OCCF"}
{"CAS":"591-78-6","Substance Name":"2-Hexanone","Registry Name":"2-Hexanone","SMILES":"CCCCC(C)=O"}
{"CAS":"591-80-0","Substance Name":"","SMILES":"C=CCCC(=O)O"}
{"CAS":"591-81-1","Substance Name":"","SMILES":"O=C(O)CCCO"}
{"CAS":"591-87-7","Substance Name":"","SMILES":"C=CCOC(C)=O"}
{"CAS":"592-01-8","Substance Name":"Calcium cyanide (Ca(CN)2)","Registry Name":"Calcium cyanide","SMILES":"N#C[Ca]C#N"}
{"CAS":"592-04-1","Substance Name":"","SMILES":"N#C[Hg]C#N"}
{"CAS":"592-31-4","Substance Name":"","SMILES":"CCCCNC(N)=O"}
{"CAS":"592-35-8","Substance Name":"","SMILES":"CCCCOC(N)=O"}
{"CAS":"592-61-0","Substance Name":"","SMILES":"CS(=O)(=O)OCCCCF"}
{"CAS":"592-62-1","Substance Name":"","SMILES":"CC(=O)OCN=[N+](C)O"}
{"CAS":"592-79-0","Substance Name":"","SMILES":"NCCCCCF"}
{"CAS":"592-80-3","Substance Name":"","SMILES":"OCCCCCF"}
{"CAS":"592-84-7","Substance Name":"","SMILES":"CCCCOC=O"}
{"CAS":"592-88-1","Substance Name":"","SMILES":"C=CCSCC=C"}
{"CAS":"592-92-7","Substance Name":"","SMILES":"CC(=O)CCCCCCF"}
{"CAS":"592-95-0","Substance Name":"","SMILES":"CS(=O)C=CCCN=C=S"}
{"CAS":"593-00-0","Substance Name":"","SMILES":"NCCCOCCF"}
{"CAS":"593-09-9","Substance Name":"","SMILES":"CC(=O)CCCCCCCCCCF"}
{"CAS":"593-11-3","Substance Name":"","SMILES":"O=C(O)CCCCCCCCCCCF"}
{"CAS":"593-12-4","Substance Name":"","SMILES":"FCCCCCCCCBr"}
{"CAS":"593-14-6","Substance Name":"","SMILES":"FCCCCCCCCCl"}
{"CAS":"593-15-7","Substance Name":"","SMILES":"FCCCCCCCCF"}
{"CAS":"593-16-8","Substance Name":"","SMILES":"NCCCCCCCCF"}
{"CAS":"593-17-9","Substance Name":"","SMILES":"O=CCCCCCCCF"}
{"CAS":"593-20-4","Substance Name":"","SMILES":"CCCCOCCOCCF"}
{"CAS":"593-22-6","Substance Name":"","SMILES":"FCCCCOCCCCCl"}
{"CAS":"593-23-7","Substance Name":"","SMILES":"FCCCCOCCCCF"}
{"CAS":"593-51-1","Substance Name":"","SMILES":"CN"}
{"CAS":"593-60-2","Substance Name":"","SMILES":"C=CBr"}
{"CAS":"593-67-9","Substance Name":"","SMILES":"CC=N"}
{"CAS":"593-79-3","Substance Name":"","SMILES":"C[Se]C"}
{"CAS":"593-80-6","Substance Name":"","SMILES":"C[Te]C"}
{"CAS":"593-88-4","Substance Name":"","SMILES":"C[As](C)C"}
{"CAS":"593-91-9","Substance Name":"","SMILES":"C[Bi](C)C"}
{"CAS":"594-27-4","Substance Name":"","SMILES":"C[Sn](C)(C)C"}
{"CAS":"594-31-0","Substance Name":"","SMILES":"Cl[Sb](Cl)(c1ccccc1)(c1ccccc1)c1ccccc1"}
{"CAS":"594-42-3","Substance Name":"","SMILES":"ClSC(Cl)(Cl)Cl"}
{"CAS":"594-65-0","Substance Name":"","SMILES":"NC(=O)C(Cl)(Cl)Cl"}
{"CAS":"594-71-8","Substance Name":"","SMILES":"CC(C)(Cl)[N+](=O)[O-]"}
{"CAS":"594-72-9","Substance Name":"","SMILES":"CC(Cl)(Cl)[N+](=O)[O-]"}
{"CAS":"595-21-1","Substance Name":"","SMILES":"COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(O)CC43O)C2)C1O"}
{"CAS":"595-28-8","Substance Name":"","SMILES":"CC1CC(=O)C(C)([N+]2(C)CCCCC2)C[N+]1(C)C"}
{"CAS":"595-33-5","Substance Name":"","SMILES":"CC(=O)OC1(C(C)=O)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C"}
{"CAS":"595-48-2","Substance Name":"","SMILES":"CC(=O)C(O)(O)C(=O)O"}
{"CAS":"595-50-6","Substance Name":"","SMILES":"CC(C)S(=O)(=O)C(C)C"}
{"CAS":"595-86-8","Substance Name":"","SMILES":"CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]"}
{"CAS":"596-27-0","Substance Name":"","SMILES":"Cc1cc(C2(c3ccc(O)c(C)c3)OC(=O)c3ccccc32)ccc1O"}
{"CAS":"596-43-0","Substance Name":"","SMILES":"BrC(c1ccccc1)(c1ccccc1)c1ccccc1"}
{"CAS":"596-51-0","Substance Name":"","SMILES":"C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1"}
{"CAS":"596-99-6","Substance Name":"","SMILES":"CC1CC(=O)C(C)(N2CCCCC2)CN1C"}
{"CAS":"597-00-2","Substance Name":"","SMILES":"CCN(CC)C1(C)CN(C)C(C)CC1=O"}
{"CAS":"597-07-9","Substance Name":"","SMILES":"COP(=O)(OC)N(C)C"}
{"CAS":"597-21-7","Substance Name":"","SMILES":"COP(=O)(OC)OP(=O)(OC)N1CCOCC1"}
{"CAS":"597-23-9","Substance Name":"","SMILES":"CCN(CC)P(=O)(OC)OP(=O)(OC)OC"}
{"CAS":"597-24-0","Substance Name":"","SMILES":"COP(=O)(OC)N1CCCCC1"}
{"CAS":"597-25-1","Substance Name":"","SMILES":"COP(=O)(OC)N1CCOCC1"}
{"CAS":"597-31-9","Substance Name":"","SMILES":"CC(C)(C=O)CO"}
{"CAS":"597-39-7","Substance Name":"","SMILES":"CCOC1(C)C[N+](C)(C)C(C)CC1=O"}
{"CAS":"597-40-0","Substance Name":"","SMILES":"COP(=O)(OC)OP(=O)(OC)N(C)C"}
{"CAS":"597-49-9","Substance Name":"","SMILES":"CCC(O)(CC)CC"}
{"CAS":"597-63-7","Substance Name":"","SMILES":"CC[Ge](CC)(CC)CC"}
{"CAS":"597-64-8","Substance Name":"","SMILES":"CC[Sn](CC)(CC)CC"}
{"CAS":"597-71-7","Substance Name":"","SMILES":"CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O"}
{"CAS":"597-88-6","Substance Name":"","SMILES":"CCOP(=O)(Oc1ccc([N+](=O)[O-])cc1)SCC"}
{"CAS":"597-89-7","Substance Name":"","SMILES":"COP(=O)(Oc1ccc([N+](=O)[O-])cc1)SC"}
{"CAS":"597-95-5","Substance Name":"","SMILES":"CC[N+](C)(CC)CCCCCCCCCC[N+](C)(CC)CC"}
{"CAS":"597-96-6","Substance Name":"","SMILES":"CCCC(C)(O)CC"}
{"CAS":"598-16-3","Substance Name":"","SMILES":"BrC=C(Br)Br"}
{"CAS":"598-50-5","Substance Name":"","SMILES":"CNC(N)=O"}
{"CAS":"598-52-7","Substance Name":"","SMILES":"CNC(N)=S"}
{"CAS":"598-55-0","Substance Name":"","SMILES":"COC(N)=O"}
{"CAS":"598-57-2","Substance Name":"","SMILES":"NC[N+](=O)[O-]"}
{"CAS":"598-58-3","Substance Name":"","SMILES":"CO[N+](=O)[O-]"}
{"CAS":"598-77-6","Substance Name":"","SMILES":"CC(Cl)C(Cl)Cl"}
{"CAS":"598-78-7","Substance Name":"","SMILES":"CC(Cl)C(=O)O"}
{"CAS":"598-79-8","Substance Name":"","SMILES":"C=C(Cl)C(=O)O"}
{"CAS":"598-91-4","Substance Name":"","SMILES":"O=[N+]([O-])C(Br)Br"}
{"CAS":"598-92-5","Substance Name":"","SMILES":"CC(Cl)[N+](=O)[O-]"}
{"CAS":"598-94-7","Substance Name":"","SMILES":"CN(C)C(N)=O"}
{"CAS":"599-33-7","Substance Name":"","SMILES":"C=C1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(O)C(=O)CO"}
{"CAS":"599-52-0","Substance Name":"","SMILES":"O=C1C(Cl)=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl"}
{"CAS":"599-61-1","Substance Name":"","SMILES":"Nc1cccc(S(=O)(=O)c2cccc(N)c2)c1"}
{"CAS":"599-79-1","Substance Name":"","SMILES":"O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O"}
{"CAS":"599-88-2","Substance Name":"","SMILES":"Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1"}
{"CAS":"600-14-6","Substance Name":"","SMILES":"C=C(O)C(=O)CC"}
{"CAS":"600-25-9","Substance Name":"","SMILES":"CCC(Cl)[N+](=O)[O-]"}
{"CAS":"600-35-1","Substance Name":"","SMILES":"O=C(O)C(O)=C(Br)Br"}
{"CAS":"600-40-8","Substance Name":"","SMILES":"CC([N+](=O)[O-])[N+](=O)[O-]"}
{"CAS":"601-76-3","Substance Name":"","SMILES":"CCC([N+](=O)[O-])[N+](=O)[O-]"}
{"CAS":"601-77-4","Substance Name":"","SMILES":"CC(C)N(N=O)C(C)C"}
{"CAS":"602-01-7","Substance Name":"","SMILES":"Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-]"}
{"CAS":"602-41-5","Substance Name":"","SMILES":"COc1c(OC2OC(CO)C(O)C(O)C2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2"}
{"CAS":"602-52-8","Substance Name":"","SMILES":"CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21"}
{"CAS":"602-83-5","Substance Name":"","SMILES":"COc1cc2c3cc1Oc1cc(OC)c(OC)c4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC2N(C)CC3)N(C)CC4"}
{"CAS":"602-85-7","Substance Name":"","SMILES":"CN1CC(CO)C=C2c3cccc4[nH]cc(c34)CC21"}
{"CAS":"602-94-8","Substance Name":"","SMILES":"O=C(O)c1c(F)c(F)c(F)c(F)c1F"}
{"CAS":"603-00-9","Substance Name":"","SMILES":"CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C"}
{"CAS":"603-33-8","Substance Name":"","SMILES":"c1ccc([Bi](c2ccccc2)c2ccccc2)cc1"}
{"CAS":"603-34-9","Substance Name":"","SMILES":"c1ccc(N(c2ccccc2)c2ccccc2)cc1"}
{"CAS":"603-35-0","Substance Name":"","SMILES":"c1ccc(P(c2ccccc2)c2ccccc2)cc1"}
{"CAS":"603-36-1","Substance Name":"","SMILES":"c1ccc([Sb](c2ccccc2)c2ccccc2)cc1"}
{"CAS":"603-41-8","Substance Name":"","SMILES":"Oc1ccc(C(c2ccc(O)cc2)c2ccccn2)cc1"}
{"CAS":"603-50-9","Substance Name":"","SMILES":"CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1"}
{"CAS":"603-79-2","Substance Name":"","SMILES":"Cc1cccc(C(=O)O)c1C"}
{"CAS":"604-50-2","Substance Name":"","SMILES":"Cn1c(=O)[nH]c(=O)c2ccccc21"}
{"CAS":"604-75-1","Substance Name":"","SMILES":"O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O"}
{"CAS":"604-92-2","Substance Name":"","SMILES":"CCC(c1ccc([N+](C)(C)C)cc1)C(CC)c1ccc([N+](C)(C)C)cc1"}
{"CAS":"605-23-2","Substance Name":"","SMILES":"Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O"}
{"CAS":"605-65-2","Substance Name":"","SMILES":"CN(C)c1cccc2c(S(=O)(=O)Cl)cccc12"}
{"CAS":"605-69-6","Substance Name":"","SMILES":"O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1O"}
{"CAS":"605-91-4","Substance Name":"","SMILES":"CCN1C(=CC=Cc2ccc3ccccc3[n+]2CC)C=Cc2ccccc21"}
{"CAS":"606-01-9","Substance Name":"","SMILES":"CC(=O)NC(C(O)C=O)C(O)C(O)CO"}
{"CAS":"606-17-7","Substance Name":"","SMILES":"O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I"}
{"CAS":"606-19-9","Substance Name":"","SMILES":"O=C(O)c1cccc(C(=O)O)c1O"}
{"CAS":"606-20-2","Substance Name":"Benzene, 2-methyl-1,3-dinitro-","Registry Name":"2,6-Dinitrotoluene","SMILES":"Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]"}
{"CAS":"606-22-4","Substance Name":"","SMILES":"Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]"}
{"CAS":"606-30-4","Substance Name":"","SMILES":"CCOc1ccc2c(c1)c(C)cc(C)[n+]2CC"}
{"CAS":"606-45-1","Substance Name":"","SMILES":"COC(=O)c1ccccc1OC"}
{"CAS":"606-47-3","Substance Name":"","SMILES":"COc1cc2c(cc1OC)C(COc1ccc(OCC3c4cc(OC)c(OC)cc4CC[N+]3(C)C)cc1)[N+](C)(C)CC2"}
{"CAS":"606-55-3","Substance Name":"","SMILES":"CC[n+]1c(C)ccc2ccccc21"}
{"CAS":"606-58-6","Substance Name":"","SMILES":"N#Cc1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12"}
{"CAS":"606-84-8","Substance Name":"","SMILES":"O=C(O)C=C(c1ccccc1)c1ccccc1"}
{"CAS":"606-93-9","Substance Name":"","SMILES":"CC[n+]1c(C)ccc2cc(C)ccc21"}
{"CAS":"607-01-2","Substance Name":"","SMILES":"CCP(c1ccccc1)c1ccccc1"}
{"CAS":"607-28-3","Substance Name":"","SMILES":"O=C1Nc2ccccc2C1=NO"}
{"CAS":"607-57-8","Substance Name":"","SMILES":"O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2"}
{"CAS":"607-71-6","Substance Name":"","SMILES":"Cc1cc(=O)oc2ccccc12"}
{"CAS":"607-73-8","Substance Name":"","SMILES":"O=C(COc1ccc2c(=O)cc(-c3ccccc3)oc2c1)N(CCO)CCO"}
{"CAS":"607-74-9","Substance Name":"","SMILES":"CC(COc1ccc2c(=O)cc(-c3ccccc3)oc2c1)CN(C)C"}
{"CAS":"607-75-0","Substance Name":"","SMILES":"CN(C)CCCNC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1"}
{"CAS":"607-88-5","Substance Name":"","SMILES":"Cc1ccc(OC(=O)c2ccccc2O)cc1"}
{"CAS":"607-91-0","Substance Name":"","SMILES":"C=CCc1cc(OC)c2c(c1)OCO2"}
{"CAS":"607-94-3","Substance Name":"","SMILES":"CC(=O)Nc1c(Cl)cc(Cl)cc1Cl"}
{"CAS":"608-05-9","Substance Name":"","SMILES":"Cc1ccc2c(c1)C(=O)C(=O)N2"}
{"CAS":"608-08-2","Substance Name":"","SMILES":"CC(=O)Oc1c[nH]c2ccccc12"}
{"CAS":"608-10-6","Substance Name":"","SMILES":"O=C(O)CCSC1NCNC2NCNC21"}
{"CAS":"608-12-8","Substance Name":"","SMILES":"O=C(O)CCCCSc1ncnc2nc[nH]c12"}
{"CAS":"608-25-3","Substance Name":"","SMILES":"Cc1c(O)cccc1O"}
{"CAS":"608-71-9","Substance Name":"","SMILES":"Oc1c(Br)c(Br)c(Br)c(Br)c1Br"}
{"CAS":"608-73-1","Substance Name":"","SMILES":"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl"}
{"CAS":"608-93-5","Substance Name":"Benzene, 1,2,3,4,5-pentachloro-","Registry Name":"Pentachlorobenzene","SMILES":"Clc1cc(Cl)c(Cl)c(Cl)c1Cl"}
{"CAS":"609-19-8","Substance Name":"","SMILES":"Oc1cc(Cl)c(Cl)c(Cl)c1"}
{"CAS":"609-20-1","Substance Name":"","SMILES":"Nc1cc(Cl)c(N)c(Cl)c1"}
{"CAS":"609-23-4","Substance Name":"","SMILES":"Oc1c(I)cc(I)cc1I"}
{"CAS":"609-27-8","Substance Name":"","SMILES":"CCC(CC)C(C)O"}
{"CAS":"609-29-0","Substance Name":"","SMILES":"C=C(O)/C(CC)=N/O"}
{"CAS":"609-66-5","Substance Name":"","SMILES":"NC(=O)c1ccccc1Cl"}
{"CAS":"609-72-3","Substance Name":"","SMILES":"Cc1ccccc1N(C)C"}
{"CAS":"609-86-9","Substance Name":"","SMILES":"Nc1c(I)cc(I)cc1C(=O)O"}
{"CAS":"609-93-8","Substance Name":"Phenol, 4-methyl-2,6-dinitro-","Registry Name":"2,6-Dinitro-p-cresol","SMILES":"Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1"}
{"CAS":"609-99-4","Substance Name":"","SMILES":"O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O"}
{"CAS":"610-02-6","Substance Name":"","SMILES":"O=C(O)c1ccc(O)c(O)c1O"}
{"CAS":"610-37-7","Substance Name":"","SMILES":"O=C(O)c1cc(O)ccc1[N+](=O)[O-]"}
{"CAS":"610-39-9","Substance Name":"","SMILES":"Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1"}
{"CAS":"610-49-1","Substance Name":"","SMILES":"Nc1cccc2cc3ccccc3cc12"}
{"CAS":"610-51-5","Substance Name":"","SMILES":"Cc1cccc2cc3ccccc3nc12"}
{"CAS":"610-71-9","Substance Name":"","SMILES":"O=C(O)c1cc(Br)ccc1Br"}
{"CAS":"610-88-8","Substance Name":"","SMILES":"CCC(C)C1NC(=O)C(C(C)=O)=C1O"}
{"CAS":"611-08-5","Substance Name":"","SMILES":"O=c1[nH]cc([N+](=O)[O-])c(=O)[nH]1"}
{"CAS":"611-13-2","Substance Name":"","SMILES":"COC(=O)c1ccco1"}
{"CAS":"611-19-8","Substance Name":"","SMILES":"ClCc1ccccc1Cl"}
{"CAS":"611-40-5","Substance Name":"","SMILES":"COc1c(OC2OC(CO)C(O)C(O)C2O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O"}
{"CAS":"611-56-3","Substance Name":"","SMILES":"CCN(CC)CCCNC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1"}
{"CAS":"611-57-4","Substance Name":"","SMILES":"O=C(COc1ccc2c(=O)cc(-c3ccccc3)oc2c1)NCCCNC1CCCCC1"}
{"CAS":"611-58-5","Substance Name":"","SMILES":"CN(C)CCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1"}
{"CAS":"611-64-3","Substance Name":"","SMILES":"Cc1c2ccccc2nc2ccccc12"}
{"CAS":"611-68-7","Substance Name":"","SMILES":"COC1=CC(=O)C=C(C)C1=O"}
{"CAS":"611-73-4","Substance Name":"","SMILES":"O=C(O)C(=O)c1ccccc1"}
{"CAS":"611-74-5","Substance Name":"","SMILES":"CN(C)C(=O)c1ccccc1"}
{"CAS":"611-75-6","Substance Name":"","SMILES":"CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1"}
{"CAS":"611-94-9","Substance Name":"","SMILES":"COc1ccc(C(=O)c2ccccc2)cc1"}
{"CAS":"612-12-4","Substance Name":"","SMILES":"ClCc1ccccc1CCl"}
{"CAS":"612-13-5","Substance Name":"","SMILES":"N#Cc1ccccc1CCl"}
{"CAS":"612-83-9","Substance Name":"","SMILES":"Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl"}
{"CAS":"613-13-8","Substance Name":"","SMILES":"Nc1ccc2cc3ccccc3cc2c1"}
{"CAS":"613-53-6","Substance Name":"","SMILES":"BrC(Br)(Br)c1ccc2ccccc2n1"}
{"CAS":"613-91-2","Substance Name":"","SMILES":"CC(=NO)c1ccccc1"}
{"CAS":"613-93-4","Substance Name":"","SMILES":"CNC(=O)c1ccccc1"}
{"CAS":"613-94-5","Substance Name":"","SMILES":"NNC(=O)c1ccccc1"}
{"CAS":"614-00-6","Substance Name":"","SMILES":"CN(N=O)c1ccccc1"}
{"CAS":"614-10-8","Substance Name":"","SMILES":"Cc1ccccc1NNC(N)=S"}
{"CAS":"614-13-1","Substance Name":"","SMILES":"COC1=CC(=O)C(C)=CC1=O"}
{"CAS":"614-17-5","Substance Name":"","SMILES":"CCNC(=O)c1ccccc1"}
{"CAS":"614-23-3","Substance Name":"","SMILES":"NC(=S)NC(=O)c1ccccc1"}
{"CAS":"614-34-6","Substance Name":"","SMILES":"Cc1ccc(OC(=O)c2ccccc2)cc1"}
{"CAS":"614-42-6","Substance Name":"","SMILES":"CCCCCNCCOC(=O)c1ccc(N)cc1"}
{"CAS":"614-43-7","Substance Name":"","SMILES":"O=C(OCCF)c1ccccc1"}
{"CAS":"614-45-9","Substance Name":"","SMILES":"CC(C)(C)OOC(=O)c1ccccc1"}
{"CAS":"614-50-6","Substance Name":"","SMILES":"O=C(OCCCF)c1ccccc1"}
{"CAS":"614-60-8","Substance Name":"","SMILES":"O=C(O)C=Cc1ccccc1O"}
{"CAS":"614-61-9","Substance Name":"","SMILES":"O=C(O)COc1ccccc1Cl"}
{"CAS":"614-68-6","Substance Name":"","SMILES":"Cc1ccccc1N=C=O"}
{"CAS":"614-78-8","Substance Name":"","SMILES":"Cc1ccccc1NC(N)=S"}
{"CAS":"614-95-9","Substance Name":"","SMILES":"CCOC(=O)N(CC)N=O"}
{"CAS":"614-99-3","Substance Name":"","SMILES":"CCOC(=O)c1ccco1"}
{"CAS":"615-13-4","Substance Name":"","SMILES":"O=C1Cc2ccccc2C1"}
{"CAS":"615-15-6","Substance Name":"","SMILES":"Cc1nc2ccccc2[nH]1"}
{"CAS":"615-16-7","Substance Name":"","SMILES":"O=c1[nH]c2ccccc2[nH]1"}
{"CAS":"615-18-9","Substance Name":"","SMILES":"Clc1nc2ccccc2o1"}
{"CAS":"615-20-3","Substance Name":"","SMILES":"Clc1nc2ccccc2s1"}
{"CAS":"615-21-4","Substance Name":"","SMILES":"NN=c1[nH]c2ccccc2s1"}
{"CAS":"615-48-5","Substance Name":"","SMILES":"Nc1cc(Cl)ccc1S"}
{"CAS":"615-53-2","Substance Name":"","SMILES":"CCOC(=O)N(C)N=O"}
{"CAS":"615-58-7","Substance Name":"","SMILES":"Oc1ccc(Br)cc1Br"}
{"CAS":"615-67-8","Substance Name":"","SMILES":"Oc1ccc(O)c(Cl)c1"}
{"CAS":"615-74-7","Substance Name":"","SMILES":"Cc1ccc(Cl)c(O)c1"}
{"CAS":"615-76-9","Substance Name":"","SMILES":"Cc1n[nH]c(=S)[nH]c1=O"}
{"CAS":"615-85-0","Substance Name":"","SMILES":"CCOC(=S)C(=S)OCC"}
{"CAS":"616-02-4","Substance Name":"","SMILES":"CC1=CC(=O)OC1=O"}
{"CAS":"616-23-9","Substance Name":"","SMILES":"OCC(Cl)CCl"}
{"CAS":"616-30-8","Substance Name":"","SMILES":"NCC(O)CO"}
{"CAS":"616-38-6","Substance Name":"","SMILES":"COC(=O)OC"}
{"CAS":"616-44-4","Substance Name":"","SMILES":"Cc1ccsc1"}
{"CAS":"616-45-5","Substance Name":"","SMILES":"O=C1CCCN1"}
{"CAS":"616-47-7","Substance Name":"","SMILES":"Cn1ccnc1"}
{"CAS":"616-68-2","Substance Name":"","SMILES":"CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C"}
{"CAS":"616-75-1","Substance Name":"","SMILES":"O=C(O)C(Cc1ccccc1)C(=O)O"}
{"CAS":"616-91-1","Substance Name":"","SMILES":"CC(=O)NC(CS)C(=O)O"}
{"CAS":"616-96-6","Substance Name":"","SMILES":"CCOC(=O)OCCC(SC(=O)OCC)=C(C)N(C=O)Cc1cnc(C)nc1N"}
{"CAS":"616-97-7","Substance Name":"","SMILES":"CCOC(=O)SC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N"}
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{"CAS":"1553-34-0","Substance Name":"","SMILES":"CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1"}
{"CAS":"1553-36-2","Substance Name":"","SMILES":"O=C(CN1CC1)NCCCCCCCCNC(=O)CN1CC1"}
{"CAS":"1553-41-9","Substance Name":"","SMILES":"CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O"}
{"CAS":"1553-52-2","Substance Name":"","SMILES":"CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(Cl)cc2)s1"}
{"CAS":"1553-60-2","Substance Name":"","SMILES":"CC(C)Cc1ccc(CC(=O)O)cc1"}
{"CAS":"1553-88-4","Substance Name":"","SMILES":"CC1CCCCN1CCC(=O)c1ccc(F)cc1"}
{"CAS":"1555-58-4","Substance Name":"","SMILES":"CN(CCC#N)CCC#N"}
{"CAS":"1555-88-0","Substance Name":"","SMILES":"CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)OCCO)c1I"}
{"CAS":"1556-61-2","Substance Name":"","SMILES":"CCN(CC)CCNC(=O)c1c(O)c2ccccc2oc1=O"}
{"CAS":"1559-14-4","Substance Name":"","SMILES":"CCCCC(C)(O)C#CCCO"}
{"CAS":"1559-35-9","Substance Name":"","SMILES":"CCCCC(CC)COCCO"}
{"CAS":"1559-65-5","Substance Name":"","SMILES":"CCCC(C)(O)C#CCCO"}
{"CAS":"1560-54-9","Substance Name":"","SMILES":"C=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1"}
{"CAS":"1561-48-4","Substance Name":"","SMILES":"ClCCCCCCCCC(Cl)(Cl)Cl"}
{"CAS":"1562-71-6","Substance Name":"","SMILES":"CC1=CCN(CCNC(=N)N)CC1"}
{"CAS":"1562-74-9","Substance Name":"","SMILES":"Cc1ncc(CSCc2cnc(C)c(O)c2CO)c(CO)c1O"}
{"CAS":"1563-01-5","Substance Name":"","SMILES":"CCN(CC)c1ccc(N=Nc2cc(S(=O)(=O)O)ccc2O)c(O)c1"}
{"CAS":"1563-66-2","Substance Name":"7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, 7-(N-methylcarbamate)","Registry Name":"Carbofuran","SMILES":"CNC(=O)Oc1cccc2c1OC(C)(C)C2"}
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{"CAS":"1565-75-9","Substance Name":"","SMILES":"CCC(C)(O)c1ccccc1"}
{"CAS":"1566-19-4","Substance Name":"","SMILES":"COP(=O)(OC)OCc1ccc([N+](=O)[O-])cc1"}
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{"CAS":"1569-01-3","Substance Name":"","SMILES":"CCCOCC(C)O"}
{"CAS":"1569-02-4","Substance Name":"","SMILES":"CCOCC(C)O"}
{"CAS":"1569-08-0","Substance Name":"","SMILES":"CC1(C)COC(Cc2ccccc2)=N1"}
{"CAS":"1570-45-2","Substance Name":"","SMILES":"CCOC(=O)c1ccncc1"}
{"CAS":"1570-64-5","Substance Name":"","SMILES":"Cc1cc(Cl)ccc1O"}
{"CAS":"1571-33-1","Substance Name":"","SMILES":"O=P(O)(O)c1ccccc1"}
{"CAS":"1572-55-0","Substance Name":"","SMILES":"NCCCCC(CN)CCCN"}
{"CAS":"1573-56-4","Substance Name":"","SMILES":"ClCC(Cl)=C(Cl)CCl"}
{"CAS":"1575-57-1","Substance Name":"","SMILES":"CCC(=O)COC(C)=O"}
{"CAS":"1575-61-7","Substance Name":"","SMILES":"O=C(Cl)CCCCCl"}
{"CAS":"1575-72-0","Substance Name":"","SMILES":"C=CCC(CCC)C(=O)O"}
{"CAS":"1576-35-8","Substance Name":"","SMILES":"Cc1ccc(S(=O)(=O)NN)cc1"}
{"CAS":"1578-43-4","Substance Name":"","SMILES":"CC[Si](CC)(CC)CCCNCc1ccco1"}
{"CAS":"1578-56-9","Substance Name":"","SMILES":"CCCC(F)C(=O)O"}
{"CAS":"1578-62-7","Substance Name":"","SMILES":"CC(C)C(F)C(=O)O"}
{"CAS":"1578-67-2","Substance Name":"","SMILES":"O=C(O)CCC(F)C(=O)O"}
{"CAS":"1580-71-8","Substance Name":"","SMILES":"CN(C)C(=O)C1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1"}
{"CAS":"1580-83-2","Substance Name":"","SMILES":"NS(=O)(=O)c1cc2c(cc1Cl)NC(Cc1ccc(F)cc1)NS2(=O)=O"}
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{"CAS":"1586-10-3","Substance Name":"","SMILES":"NC1Cc2ccccc2Cc2ccccc21"}
{"CAS":"1587-41-3","Substance Name":"","SMILES":"O=[N+]([O-])C(Cl)(Cl)[N+](=O)[O-]"}
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{"CAS":"1590-44-9","Substance Name":"","SMILES":"Cc1ccc(CNCC2CCC(CNCc3ccc(C)cc3)CC2)cc1"}
{"CAS":"1591-30-6","Substance Name":"","SMILES":"N#Cc1ccc(-c2ccc(C#N)cc2)cc1"}
{"CAS":"1592-82-1","Substance Name":"","SMILES":"COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C(C)C)c1"}
{"CAS":"1593-27-7","Substance Name":"","SMILES":"CCOP(=S)(CC)Oc1ccc(Cl)cc1Cl"}
{"CAS":"1593-77-7","Substance Name":"","SMILES":"CC1CN(C2CCCCCCCCCCC2)CC(C)O1"}
{"CAS":"1594-56-5","Substance Name":"","SMILES":"N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]"}
{"CAS":"1594-57-6","Substance Name":"","SMILES":"N=C(NO)c1ccncc1"}
{"CAS":"1596-09-4","Substance Name":"","SMILES":"Cc1ccc(O)c(C2CCCCC2)c1"}
{"CAS":"1596-46-9","Substance Name":"","SMILES":"CC(N)CC1CCS(=O)(=O)C1"}
{"CAS":"1596-47-0","Substance Name":"","SMILES":"NCCC1CCS(=O)(=O)C1"}
{"CAS":"1596-84-5","Substance Name":"","SMILES":"CN(C)NC(=O)CCC(=O)O"}
{"CAS":"1597-82-6","Substance Name":"","SMILES":"CC(=O)OCC(=O)C1(O)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC21C"}
{"CAS":"1598-99-8","Substance Name":"","SMILES":"CCN(CC)c1nc(F)nc(N(CC)CC)n1"}
{"CAS":"1599-49-1","Substance Name":"","SMILES":"CCCCCC1OCC(C)O1"}
{"CAS":"1600-44-8","Substance Name":"","SMILES":"O=S1CCCC1"}
{"CAS":"1600-61-9","Substance Name":"","SMILES":"Cn1nc(-c2ccc([N+](=O)[O-])o2)[nH]c1=O"}
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{"CAS":"1602-20-6","Substance Name":"","SMILES":"CCN=C(NCC)SCCN(C)C"}
{"CAS":"1603-08-3","Substance Name":"","SMILES":"CCN(CC)C(=O)CN(CCCl)CCCl"}
{"CAS":"1603-09-4","Substance Name":"","SMILES":"CN(C(=O)CN(CCCl)CCCl)c1ccccc1"}
{"CAS":"1603-27-6","Substance Name":"","SMILES":"C[N+]1(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1"}
{"CAS":"1603-28-7","Substance Name":"","SMILES":"C[N+]1(CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1"}
{"CAS":"1603-29-8","Substance Name":"","SMILES":"C[N+]1(CCCN(Cc2ccccc2)C(=O)c2ccccc2)CCOCC1"}
{"CAS":"1603-30-1","Substance Name":"","SMILES":"C[N+]1(CCN(Cc2ccccc2)C(=O)c2ccccc2)CCOCC1"}
{"CAS":"1603-31-2","Substance Name":"","SMILES":"O=C(c1ccccc1)N(CCCN1CCOCC1)Cc1ccccc1"}
{"CAS":"1603-32-3","Substance Name":"","SMILES":"O=C(NCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1"}
{"CAS":"1603-33-4","Substance Name":"","SMILES":"O=C(NCCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1"}
{"CAS":"1603-40-3","Substance Name":"","SMILES":"Cc1cccnc1N"}
{"CAS":"1603-41-4","Substance Name":"","SMILES":"Cc1ccc(N)nc1"}
{"CAS":"1604-01-9","Substance Name":"","SMILES":"CCCC1=NCCCC1"}
{"CAS":"1604-02-0","Substance Name":"","SMILES":"CCCC1(O)CCCC1"}
{"CAS":"1606-10-6","Substance Name":"","SMILES":"CC(C)C(CCCN(C)C)(C(N)=O)c1cccc2ccccc12"}
{"CAS":"1606-67-3","Substance Name":"","SMILES":"Nc1ccc2ccc3cccc4ccc1c2c34"}
{"CAS":"1606-76-4","Substance Name":"","SMILES":"O=[N+]([O-])c1nccs1"}
{"CAS":"1607-17-6","Substance Name":"","SMILES":"O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]"}
{"CAS":"1609-06-9","Substance Name":"","SMILES":"CN(C)C(=N)NC#N"}
{"CAS":"1609-47-8","Substance Name":"","SMILES":"CCOC(=O)OC(=O)OCC"}
{"CAS":"1610-17-9","Substance Name":"","SMILES":"CCNc1nc(NC(C)C)nc(OC)n1"}
{"CAS":"1610-18-0","Substance Name":"","SMILES":"COc1nc(NC(C)C)nc(NC(C)C)n1"}
{"CAS":"1610-29-3","Substance Name":"","SMILES":"CCC=C(C)CO"}
{"CAS":"1612-47-1","Substance Name":"","SMILES":"COc1ccc2c(c1Oc1ccccc1)C13CCCCC1(O)C(C2)N(C)CC3"}
{"CAS":"1612-76-6","Substance Name":"","SMILES":"Nc1nnc(-c2ccccc2)o1"}
{"CAS":"1613-08-7","Substance Name":"","SMILES":"CC[N+](C)(CC)CC1(COc2ccccc2)COC1"}
{"CAS":"1613-17-8","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCCCCN(C)C"}
{"CAS":"1614-30-8","Substance Name":"","SMILES":"NC(=S)Nc1ccc(-c2ccc(NC(N)=S)cc2)cc1"}
{"CAS":"1615-02-7","Substance Name":"","SMILES":"O=C(O)C=Cc1ccc(Cl)cc1"}
{"CAS":"1616-88-2","Substance Name":"","SMILES":"COCCOC(N)=O"}
{"CAS":"1617-90-9","Substance Name":"","SMILES":"CCC12CCCN3CCc4c(n(c5ccccc45)C(O)(C(=O)OC)C1)C32"}
{"CAS":"1617-94-3","Substance Name":"","SMILES":"c1ccc(Nc2nnc(-c3ccncc3)o2)cc1"}
{"CAS":"1617-99-8","Substance Name":"","SMILES":"COCCOCCNCC1COc2ccccc2O1"}
{"CAS":"1620-19-5","Substance Name":"","SMILES":"C[N+](C)(C)c1cccc(O)c1"}
{"CAS":"1620-98-0","Substance Name":"","SMILES":"CC(C)(C)c1cc(C=O)cc(C(C)(C)C)c1O"}
{"CAS":"1622-32-8","Substance Name":"","SMILES":"O=S(=O)(Cl)CCCl"}
{"CAS":"1622-61-3","Substance Name":"","SMILES":"O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1"}
{"CAS":"1622-62-4","Substance Name":"","SMILES":"CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21"}
{"CAS":"1622-79-3","Substance Name":"","SMILES":"CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1"}
{"CAS":"1623-14-9","Substance Name":"","SMILES":"CCOP(=O)(O)O"}
{"CAS":"1623-19-4","Substance Name":"","SMILES":"C=CCOP(=O)(OCC=C)OCC=C"}
{"CAS":"1623-64-9","Substance Name":"","SMILES":"CC1(c2ccccc2)CNC1=O"}
{"CAS":"1624-02-8","Substance Name":"","SMILES":"O=[Cr](=O)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1"}
{"CAS":"1626-71-7","Substance Name":"","SMILES":"CC(N)Cc1cccc(F)c1"}
{"CAS":"1626-74-0","Substance Name":"","SMILES":"CC(N)Cc1ccc(C(F)(F)F)cc1"}
{"CAS":"1627-73-2","Substance Name":"","SMILES":"NC(=S)N/N=C/c1ccccc1"}
{"CAS":"1628-20-2","Substance Name":"","SMILES":"CN1C(=O)CC(c2ccc(Cl)cc2)C1=O"}
{"CAS":"1628-26-8","Substance Name":"","SMILES":"CN1C(=O)CC(c2ccc(I)cc2)C1=O"}
{"CAS":"1629-58-9","Substance Name":"","SMILES":"C=CC(=O)CC"}
{"CAS":"1630-44-0","Substance Name":"","SMILES":"CN1CCCCC1CC(O)c1ccccc1"}
{"CAS":"1630-62-2","Substance Name":"","SMILES":"CN1CCOC1c1ccccc1"}
{"CAS":"1631-28-3","Substance Name":"","SMILES":"Cc1ccc(N2C(=O)C=CC2=O)cc1"}
{"CAS":"1631-29-4","Substance Name":"","SMILES":"O=C1C=CC(=O)N1c1ccc(Cl)cc1"}
{"CAS":"1631-58-9","Substance Name":"","SMILES":"CN(C)C1CSSC1"}
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{"CAS":"1632-29-7","Substance Name":"","SMILES":"Cn1nnc2c1c(=O)[nH]c(=O)n2C"}
{"CAS":"1632-68-4","Substance Name":"","SMILES":"OC1CC2CCC1C2"}
{"CAS":"1633-40-5","Substance Name":"","SMILES":"CN(C)C(C(=O)c1ccccc1)c1ccccc1"}
{"CAS":"1633-83-6","Substance Name":"","SMILES":"O=S1(=O)CCCCO1"}
{"CAS":"1634-02-2","Substance Name":"","SMILES":"CCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC"}
{"CAS":"1634-04-4","Substance Name":"Propane, 2-methoxy-2-methyl-","Registry Name":"Methyl tert-butyl ether","SMILES":"COC(C)(C)C"}
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{"CAS":"1639-66-3","Substance Name":"","SMILES":"CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O"}
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{"CAS":"1654-34-8","Substance Name":"","SMILES":"CN(C)Cc1c[nH]c2c([N+](=O)[O-])cccc12"}
{"CAS":"1656-48-0","Substance Name":"","SMILES":"N#CCCOCCC#N"}
{"CAS":"1656-94-6","Substance Name":"","SMILES":"c1cncc(CNCc2cccnc2)c1"}
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{"CAS":"1671-82-5","Substance Name":"","SMILES":"Cn1ccnc1[N+](=O)[O-]"}
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{"CAS":"1672-86-2","Substance Name":"","SMILES":"CCCC(C)(COC(=O)NC(C)=O)COC(=O)NC(C)=O"}
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{"CAS":"1936-38-5","Substance Name":"","SMILES":"Cc1nc(CN(CCCl)CCCl)cs1"}
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{"CAS":"1936-50-1","Substance Name":"","SMILES":"CCN(CC)CCSC(=O)N1c2ccccc2Sc2ccccc21"}
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{"CAS":"40520-29-4","Substance Name":"","SMILES":"Cc1ccc(NC2=NCCO2)c2c1CCCC2"}
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{"CAS":"41958-57-0","Substance Name":"","SMILES":"CCOC(=O)N1Cc2ccccc2C(c2ccccc2)C1C"}
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{"CAS":"68884-73-1","Substance Name":"","SMILES":"Cc1c2ccccc2cc2c(=O)cc(N3CCCC3)oc12"}
{"CAS":"68887-68-3","Substance Name":"","SMILES":"O=C(O)CCCCCCCn1ccnc1"}
{"CAS":"68896-47-9","Substance Name":"","SMILES":"CCOP(=S)(Oc1cnn(C)c(=O)c1SCC)OC(C)C"}
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{"CAS":"68968-11-6","Substance Name":"","SMILES":"CC(Cc1ccccc1)N1CCN(CCN)CC1"}
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{"CAS":"69024-54-0","Substance Name":"","SMILES":"CC(=O)Nc1ccc(CCCC(N)=O)cc1Br"}
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{"CAS":"69024-93-7","Substance Name":"","SMILES":"O=c1ccc(Oc2ccccc2Cl)nn1CCO"}
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{"CAS":"71319-66-9","Substance Name":"","SMILES":"OC(CNCCNc1ccccc1)COc1ccccc1"}
{"CAS":"71320-77-9","Substance Name":"","SMILES":"O=C(NCCN1CCOCC1)c1ccc(Cl)cc1"}
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{"CAS":"71340-69-7","Substance Name":"","SMILES":"Nc1cc(Cl)nc(N)n1"}
{"CAS":"71347-40-5","Substance Name":"","SMILES":"Clc1ccc(-c2cnn3cnnc3n2)cc1"}
{"CAS":"71347-41-6","Substance Name":"","SMILES":"Cc1nnc2nc(-c3ccc(Cl)cc3)cnn12"}
{"CAS":"71347-43-8","Substance Name":"","SMILES":"COc1ccc(-c2cnn3cnnc3n2)cc1"}
{"CAS":"71347-46-1","Substance Name":"","SMILES":"Clc1ccccc1-c1cnn2cnnc2n1"}
{"CAS":"71347-53-0","Substance Name":"","SMILES":"Cc1nnc2nc(-c3ccccc3Cl)cnn12"}
{"CAS":"71349-83-2","Substance Name":"","SMILES":"CCCNC(=O)Oc1cccc2ccc[n+](C)c12"}
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{"CAS":"71351-53-6","Substance Name":"","SMILES":"Cc1ccc(Cc2c[nH]c(NCCSCc3ncccc3Br)nc2=O)cn1"}
{"CAS":"71354-19-3","Substance Name":"","SMILES":"O=S(=O)(O)SCCNCc1cccc2ccccc12"}
{"CAS":"71354-21-7","Substance Name":"","SMILES":"c1ccc2c(CNCCSSCCNCc3cccc4ccccc34)cccc2c1"}
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{"CAS":"119321-54-9","Substance Name":"","SMILES":"c1ccc(N2CCN(CCCOc3ccc4c(c3)CCCN4)CC2)cc1"}
{"CAS":"119321-56-1","Substance Name":"","SMILES":"NCc1cccc(OCCCN2CCN(c3ccccc3)CC2)c1"}
{"CAS":"119321-60-7","Substance Name":"","SMILES":"CSc1nccc(=O)n1-c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1"}
{"CAS":"119321-62-9","Substance Name":"","SMILES":"OCc1cccc(OCCCN2CCN(c3ccccc3)CC2)c1"}
{"CAS":"119321-63-0","Substance Name":"","SMILES":"OCc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1"}
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{"CAS":"119321-69-6","Substance Name":"","SMILES":"NC(=S)Nc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1"}
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{"CAS":"119377-08-1","Substance Name":"","SMILES":"CCOC(=O)C1Cc2c([nH]c3ccccc23)C(c2cccnc2)N1"}
{"CAS":"119377-09-2","Substance Name":"","SMILES":"CCCOC(=O)C1Cc2c([nH]c3ccccc23)C(c2cccnc2)N1"}
{"CAS":"119377-10-5","Substance Name":"","SMILES":"CC(C)OC(=O)C1Cc2c([nH]c3ccccc23)C(c2cccnc2)N1"}
{"CAS":"119377-11-6","Substance Name":"","SMILES":"CCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccnc2)n1"}
{"CAS":"119377-12-7","Substance Name":"","SMILES":"CCCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccnc2)n1"}
{"CAS":"119377-13-8","Substance Name":"","SMILES":"CC(C)OC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccnc2)n1"}
{"CAS":"119395-95-8","Substance Name":"","SMILES":"c1ccc(CCSSCCc2ccccn2)nc1"}
{"CAS":"119395-96-9","Substance Name":"","SMILES":"Clc1cccc(CSSCc2cccc(Cl)n2)n1"}
{"CAS":"119395-97-0","Substance Name":"","SMILES":"O=P(O)(O)SCc1cccc(Cl)n1"}
{"CAS":"119395-98-1","Substance Name":"","SMILES":"O=P(O)(O)SCc1ccncc1"}
{"CAS":"119395-99-2","Substance Name":"","SMILES":"O=P(O)(O)SCc1ccncn1"}
{"CAS":"119396-01-9","Substance Name":"","SMILES":"SCc1ccncn1"}
{"CAS":"119396-03-1","Substance Name":"","SMILES":"c1cc(CSSCc2ccncn2)ncn1"}
{"CAS":"119413-53-5","Substance Name":"","SMILES":"O=C(c1ccco1)N(c1cnccn1)C1CCN(CCc2ccccc2)CC1"}
{"CAS":"119417-93-5","Substance Name":"","SMILES":"O=P(O)(O)SCc1cc(Cl)ccn1"}
{"CAS":"119422-08-1","Substance Name":"","SMILES":"CCNCCCCNCCCCNCCCCNCC"}
{"CAS":"119438-52-7","Substance Name":"","SMILES":"CCCCC[N+](CC)(CC)CCN1CCN(CC[N+](CC)(CC)CCCCC)CC1"}
{"CAS":"119446-68-3","Substance Name":"","SMILES":"CC1COC(Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1"}
{"CAS":"119457-12-4","Substance Name":"","SMILES":"CC1=NN(C(=O)Cn2c3ccccc3c3nc4cc(Cl)ccc4nc32)C(=O)C1=Cc1ccccc1"}
{"CAS":"119457-13-5","Substance Name":"","SMILES":"CC1=NN(C(=O)Cn2c3ccccc3c3nc4cc(Cl)ccc4nc32)C(=O)C1=Cc1ccc(O)cc1"}
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{"CAS":"119457-15-7","Substance Name":"","SMILES":"CC1=NN(C(=O)Cn2c3ccccc3c3nc4cc(Cl)ccc4nc32)C(=O)C1=Cc1ccc(N(C)C)cc1"}
{"CAS":"119457-16-8","Substance Name":"","SMILES":"COc1cc(C=C2C(=O)N(C(=O)Cn3c4ccccc4c4nc5cc(Cl)ccc5nc43)N=C2C)ccc1O"}
{"CAS":"119457-17-9","Substance Name":"","SMILES":"COc1ccc(C=C2C(=O)N(C(=O)Cn3c4ccccc4c4nc5cc(Cl)ccc5nc43)N=C2C)cc1OC"}
{"CAS":"119457-18-0","Substance Name":"","SMILES":"C=C(c1ccccc1)c1c(C)[nH]n(C(=O)Cn2c3ccccc3c3nc4cc(Cl)ccc4nc32)c1=O"}
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{"CAS":"1421-07-4","Substance Name":"","SMILES":"CCC1(CCC(C)(C)O)C(=O)NC(=O)NC1=O"}
{"CAS":"1421-08-5","Substance Name":"","SMILES":"CCN(CC)C(C)COC(=O)C(OC)(c1ccccc1)c1ccccc1"}
{"CAS":"1421-09-6","Substance Name":"","SMILES":"CCN(CC)CC(C)OC(=O)C(OC)(c1ccccc1)c1ccccc1"}
{"CAS":"1421-10-9","Substance Name":"","SMILES":"CCOC(C(=O)OC1CCCN(CC)C1)(c1ccccc1)c1ccccc1"}
{"CAS":"1421-14-3","Substance Name":"","SMILES":"CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1"}
{"CAS":"1421-23-4","Substance Name":"","SMILES":"N=C(N=C(N)N)NCc1ccccc1"}
{"CAS":"1421-28-9","Substance Name":"","SMILES":"CN1CCC23c4c5ccc(O)c4OC2C(O)CCC3C1C5"}
{"CAS":"1421-49-4","Substance Name":"","SMILES":"CC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)c1O"}
{"CAS":"1421-63-2","Substance Name":"","SMILES":"CCCC(=O)c1cc(O)c(O)cc1O"}
{"CAS":"1421-89-2","Substance Name":"","SMILES":"CC(=O)OCCN(C)C"}
{"CAS":"1422-07-7","Substance Name":"","SMILES":"COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341"}
{"CAS":"1422-26-0","Substance Name":"","SMILES":"CC(=O)CCCCCCCC(=O)O"}
{"CAS":"1424-27-7","Substance Name":"","SMILES":"CC(=O)Nc1nnc(S(N)(=O)=O)s1"}
{"CAS":"1424-48-2","Substance Name":"","SMILES":"Cc1ccc(S(=O)(=O)C=CC#N)cc1"}
{"CAS":"1424-50-6","Substance Name":"","SMILES":"N#CC(Cl)CS(=O)(=O)c1ccccc1"}
{"CAS":"1425-59-8","Substance Name":"","SMILES":"CC(C#N)(CCN1CCOCC1)c1ccccc1"}
{"CAS":"1425-60-1","Substance Name":"","SMILES":"CC(C)C(C#N)(CCN(C)C)c1cccc2ccccc12"}
{"CAS":"1428-67-7","Substance Name":"","SMILES":"N#CC(Cc1ccc(O)cc1)c1ccc(O)cc1"}
{"CAS":"1429-30-7","Substance Name":"","SMILES":"COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(O)c1O"}
{"CAS":"1429-60-3","Substance Name":"","SMILES":"CCN(CC)CCOC(=O)C1c2ccccc2CCc2ccccc21"}
{"CAS":"1432-65-1","Substance Name":"","SMILES":"NCCSC(C[N+](=O)[O-])c1ccc2c(c1)OCO2"}
{"CAS":"1432-75-3","Substance Name":"","SMILES":"NCCSC(C[N+](=O)[O-])c1ccccc1Cl"}
{"CAS":"1435-88-7","Substance Name":"","SMILES":"Cc1cc(O)ccc1N=Nc1ccccc1"}
{"CAS":"1438-16-0","Substance Name":"","SMILES":"NN1C(=O)CSC1=S"}
{"CAS":"1438-20-6","Substance Name":"","SMILES":"O=C(Cc1c[nH]c2ccccc12)NN1C(=O)CSC1=S"}
{"CAS":"1438-25-1","Substance Name":"","SMILES":"O=C1C(=Cc2ccccc2)SC(=S)N1N=Cc1ccccc1O"}
{"CAS":"1438-30-8","Substance Name":"","SMILES":"Cn1cc(NC(=O)c2cc(NC(=O)CNC(=N)N)cn2C)cc1C(=O)NCCC(=N)N"}
{"CAS":"1438-94-4","Substance Name":"","SMILES":"c1coc(Cn2cccc2)c1"}
{"CAS":"1439-36-7","Substance Name":"","SMILES":"CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1"}
{"CAS":"1440-97-7","Substance Name":"","SMILES":"CN(C)P(=O)(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N(C)C"}
{"CAS":"1444-06-0","Substance Name":"","SMILES":"CCCC(C)(COC(=O)NC(C)C)COC(N)=S"}
{"CAS":"1444-32-2","Substance Name":"","SMILES":"CC(C(SC(=N)N)c1ccccc1)N(C)C"}
{"CAS":"1445-08-5","Substance Name":"","SMILES":"Cc1nc(N)c2[nH]cnc2n1"}
{"CAS":"1445-23-4","Substance Name":"","SMILES":"Cc1cc(O)c(C(C)(C)C)cc1C"}
{"CAS":"1445-69-8","Substance Name":"","SMILES":"O=c1[nH][nH]c(=O)c2ccccc12"}
{"CAS":"1445-75-6","Substance Name":"Phosphonic acid, P-methyl-, bis(1-methylethyl) ester","Registry Name":"Diisopropyl methylphosphonate","SMILES":"CC(C)OP(C)(=O)OC(C)C"}
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{"CAS":"11-01-90","Substance Name":"","SMILES":"CC1=CC2OC3CC4OC(=O)C=CC=CC(=O)OCCC5(C)OC5C(=O)OCC2(CC1)C4(C)C31CO1"}
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{"CAS":"2291-55-6","Substance Name":"","SMILES":"CN1C2CCCC1CC(OC(=O)C(c1ccccc1)c1ccccc1)C2"}
{"CAS":"2292-16-2","Substance Name":"","SMILES":"COc1ccc(CC2c3cc(Oc4cc(CC5c6cc(OC)c(OC)cc6CCN5C)ccc4O)c(OC)cc3CCN2C)cc1"}
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{"CAS":"2295-35-4","Substance Name":"","SMILES":"S=C1CCCN1"}
{"CAS":"2295-42-3","Substance Name":"","SMILES":"c1cncc(-c2nc3ccccc3o2)c1"}
{"CAS":"2295-47-8","Substance Name":"","SMILES":"c1ccc2oc(-c3ccncc3)nc2c1"}
{"CAS":"2295-58-1","Substance Name":"","SMILES":"CCC(=O)c1c(O)cc(O)cc1O"}
{"CAS":"2296-68-6","Substance Name":"","SMILES":"CN(C)c1nnc(-c2ccc(Cl)cc2)nn1"}
{"CAS":"2296-76-6","Substance Name":"","SMILES":"ON=Cc1cc(I)c(O)c(I)c1"}
{"CAS":"2297-30-5","Substance Name":"","SMILES":"CCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(OC(=O)CC)CCC32)C1"}
{"CAS":"2297-69-0","Substance Name":"","SMILES":"CC(=O)ON=C1C=CC(=O)C(=O)C=C1"}
{"CAS":"2297-94-1","Substance Name":"","SMILES":"O=Nc1ccc(O)c(=O)cc1"}
{"CAS":"2298-55-7","Substance Name":"","SMILES":"c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1"}
{"CAS":"2299-26-5","Substance Name":"","SMILES":"CCC1CN(C)C2Cc3c([nH]c4ccccc34)C(=O)CC1C2C(=O)OC"}
{"CAS":"2299-97-0","Substance Name":"","SMILES":"CN(C)CCOC(=O)N(c1ccccc1)c1ccccc1"}
{"CAS":"2301-80-6","Substance Name":"","SMILES":"Cc1cc[n+](C)cc1"}
{"CAS":"2302-25-2","Substance Name":"","SMILES":"Brc1cnc[nH]1"}
{"CAS":"2302-30-9","Substance Name":"","SMILES":"Brc1nc[nH]c1Br"}
{"CAS":"2302-93-4","Substance Name":"","SMILES":"CC(=NNC(N)=S)c1ccccc1"}
{"CAS":"2302-95-6","Substance Name":"","SMILES":"C/C=N/C(=S)NN"}
{"CAS":"2303-16-4","Substance Name":"","SMILES":"CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C"}
{"CAS":"2303-17-5","Substance Name":"","SMILES":"CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C"}
{"CAS":"2303-90-4","Substance Name":"","SMILES":"C(=NCCc1ccccc1)NCCc1ccccc1"}
{"CAS":"2304-30-5","Substance Name":"","SMILES":"CCCC[P+](CCCC)(CCCC)CCCC"}
{"CAS":"2306-33-4","Substance Name":"","SMILES":"CCOC(=O)c1ccccc1C(=O)O"}
{"CAS":"2307-49-5","Substance Name":"","SMILES":"COc1c(Cl)cc(Cl)c(Cl)c1C(=O)O"}
{"CAS":"2307-68-8","Substance Name":"","SMILES":"CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1"}
{"CAS":"2307-81-5","Substance Name":"","SMILES":"COCCCNCC1COc2ccccc2O1"}
{"CAS":"2307-89-3","Substance Name":"","SMILES":"COc1ccc(S(=O)(=O)c2ccc(N)cc2)nn1"}
{"CAS":"2308-57-8","Substance Name":"","SMILES":"O=c1nc2nc[nH]c2c[nH]1"}
{"CAS":"2308-61-4","Substance Name":"","SMILES":"O=C1NC(Cc2ccccc2)C(=O)NC1Cc1ccccc1"}
{"CAS":"07-01-09","Substance Name":"","SMILES":"COC(=O)C=Cc1ccc(O)c(OC)c1"}
{"CAS":"2309-42-4","Substance Name":"","SMILES":"CC(=O)N(C)C(C)C1CCC2C3CCC4CC(N(C)C)CCC4(C)C3CCC21C"}
{"CAS":"2310-17-0","Substance Name":"","SMILES":"CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21"}
{"CAS":"2312-35-8","Substance Name":"","SMILES":"C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1"}
{"CAS":"2312-73-4","Substance Name":"","SMILES":"c1ccc(CNc2ncnc3c2ncn3C2CCCCO2)cc1"}
{"CAS":"2312-76-7","Substance Name":"","SMILES":"Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O"}
{"CAS":"2313-91-9","Substance Name":"","SMILES":"CC(=O)CNC(=O)Oc1cccc(C(C)(C)C)c1"}
{"CAS":"2313-93-1","Substance Name":"","SMILES":"CC(=O)CNC(=O)Oc1cc(C)c(C)cc1Cl"}
{"CAS":"09-02-14","Substance Name":"","SMILES":"CCCCOC(=O)C1(O)c2ccccc2-c2ccccc21"}
{"CAS":"2314-17-2","Substance Name":"","SMILES":"CCCCSc1nc2ccccc2s1"}
{"CAS":"02-08-15","Substance Name":"","SMILES":"Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1"}
{"CAS":"2315-36-8","Substance Name":"","SMILES":"CCN(CC)C(=O)CCl"}
{"CAS":"2315-43-7","Substance Name":"","SMILES":"CC(C)CCN(C)C"}
{"CAS":"2318-18-5","Substance Name":"","SMILES":"CC=C1CC(C)C(C)(O)C(=O)OC/C2=C/CN(C)CCC(OC1=O)C2=O"}
{"CAS":"2319-45-1","Substance Name":"","SMILES":"CN1C(=O)CC(c2ccc(Br)cc2)C1=O"}
{"CAS":"07-05-21","Substance Name":"","SMILES":"O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21"}
{"CAS":"2321-76-8","Substance Name":"","SMILES":"N#CC1CCCC1=N"}
{"CAS":"2324-94-9","Substance Name":"","SMILES":"CCCC1(c2cccc(O)c2)CCN(C)C1"}
{"CAS":"02-08-27","Substance Name":"","SMILES":"NC(=O)Nc1ccc(Cl)c(Cl)c1"}
{"CAS":"2327-87-9","Substance Name":"","SMILES":"CCN(CC)CP(=O)(CN(CC)CC)CN(CC)CC"}
{"CAS":"12-03-28","Substance Name":"","SMILES":"COc1cc2c(cc1OC)CNCC2"}
{"CAS":"01-04-38","Substance Name":"","SMILES":"CCCCOc1ccc(CC(=O)NO)cc1C"}
{"CAS":"12-07-38","Substance Name":"","SMILES":"O=[N+]([O-])c1ccc2n[nH]nc2c1"}
{"CAS":"2338-18-3","Substance Name":"","SMILES":"NC1Cc2ccccc2C1"}
{"CAS":"2338-20-7","Substance Name":"","SMILES":"O=C(O)c1cc(I)c(I)c(I)c1"}
{"CAS":"2338-24-1","Substance Name":"","SMILES":"O=[N+]([O-])c1cc2nc(C(F)(F)F)[nH]c2cc1[N+](=O)[O-]"}
{"CAS":"2338-25-2","Substance Name":"","SMILES":"FC(F)(F)c1nc2cc(Cl)c(Cl)cc2[nH]1"}
{"CAS":"2338-27-4","Substance Name":"","SMILES":"FC(F)(F)c1nc2cc(Cl)c(Cl)c(Cl)c2[nH]1"}
{"CAS":"2338-29-6","Substance Name":"","SMILES":"FC(F)(F)c1nc2c(Cl)c(Cl)c(Cl)c(Cl)c2[nH]1"}
{"CAS":"2338-30-9","Substance Name":"","SMILES":"FC(F)(F)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1"}
{"CAS":"2338-31-0","Substance Name":"","SMILES":"FC(F)(F)c1nc2cccc(Cl)c2[nH]1"}
{"CAS":"2338-76-3","Substance Name":"","SMILES":"N#CCc1cccc(C(F)(F)F)c1"}
{"CAS":"2341-57-3","Substance Name":"","SMILES":"OC1(c2cccc(C(F)(F)F)c2)CNC(c2ccccc2)C1"}
{"CAS":"2343-36-4","Substance Name":"","SMILES":"O=C(CF)NNc1ccccc1"}
{"CAS":"2345-24-6","Substance Name":"","SMILES":"CC(C)=CCCC(C)=CCOC(=O)C(C)C"}
{"CAS":"2345-38-2","Substance Name":"","SMILES":"C[Si](C)(C)CC(=O)O"}
{"CAS":"2346-00-1","Substance Name":"","SMILES":"CC1=NCCS1"}
{"CAS":"2346-99-8","Substance Name":"","SMILES":"COP(=O)(OC1CCCCC1)Sc1ccc(Cl)cc1"}
{"CAS":"2347-27-5","Substance Name":"","SMILES":"COc1ccc(CCNCC(O)COc2cccc3ccccc23)cc1OC"}
{"CAS":"2348-79-0","Substance Name":"","SMILES":"CN(C)C1=CC(=O)c2ccccc2C1=O"}
{"CAS":"2348-82-5","Substance Name":"","SMILES":"COC1=CC(=O)c2ccccc2C1=O"}
{"CAS":"07-07-49","Substance Name":"","SMILES":"CCCCCCOC(=O)C(C)C"}
{"CAS":"2349-67-9","Substance Name":"","SMILES":"Nc1n[nH]c(=S)s1"}
{"CAS":"2350-29-0","Substance Name":"","SMILES":"CCN(CC)CCOC(=O)c1ccc(OC)cc1"}
{"CAS":"2350-31-4","Substance Name":"","SMILES":"CCCOc1ccc(C(=O)OCCN(CC)CC)cc1"}
{"CAS":"2350-32-5","Substance Name":"","SMILES":"CCCCOc1ccc(C(=O)OCCN(CC)CC)cc1"}
{"CAS":"2351-95-3","Substance Name":"","SMILES":"CCOC(=O)C1C(=O)NC(C(=O)OCC)(C(=O)OCC)C1CC(C)C"}
{"CAS":"2353-19-7","Substance Name":"","SMILES":"O=C(CN1CCCCC1)NCc1ccccc1"}
{"CAS":"2353-20-0","Substance Name":"","SMILES":"CC(C(=O)NCc1ccccc1)N1CCCCC1"}
{"CAS":"2353-33-5","Substance Name":"","SMILES":"Nc1ncn(C2CC(O)C(CO)O2)c(=O)n1"}
{"CAS":"2353-45-9","Substance Name":"","SMILES":"CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc([C+](c2ccc(N(CC)Cc3cccc(S(=O)(=O)O)c3)cc2)c2ccc(O)cc2S(=O)(=O)O)cc1"}
{"CAS":"2354-61-2","Substance Name":"","SMILES":"O=C(CCCN1CCN(c2ccccc2)CC1)c1ccc(F)cc1"}
{"CAS":"2355-43-3","Substance Name":"","SMILES":"Fc1c(F)c(F)c2[nH]c(C(F)(F)F)nc2c1F"}
{"CAS":"2361-34-4","Substance Name":"","SMILES":"Cc1cc(=O)n(CCC#N)[nH]1"}
{"CAS":"12-01-62","Substance Name":"","SMILES":"Cc1cc(Br)ccc1O"}
{"CAS":"2362-26-7","Substance Name":"","SMILES":"Nc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)cc1"}
{"CAS":"2363-58-8","Substance Name":"","SMILES":"CC12CCC3C(CCC4CC5SC5CC43C)C1CCC2O"}
{"CAS":"2364-44-5","Substance Name":"","SMILES":"Cc1cc(O)c(C(C)C)cc1I"}
{"CAS":"2364-66-1","Substance Name":"","SMILES":"CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C"}
{"CAS":"2364-75-2","Substance Name":"","SMILES":"CCc1nc(C)ccc1O"}
{"CAS":"2364-87-6","Substance Name":"","SMILES":"Cc1ccc(S(=O)(=O)NC(CCCCN)C(=O)CCl)cc1"}
{"CAS":"2365-20-0","Substance Name":"","SMILES":"CCNNC(=O)c1ccncc1"}
{"CAS":"2365-26-6","Substance Name":"","SMILES":"NC(=S)N/N=C\\c1nccc2ccccc12"}
{"CAS":"2365-30-2","Substance Name":"","SMILES":"NC(=O)N(CCCl)N=O"}
{"CAS":"2365-44-8","Substance Name":"","SMILES":"NN=C1C(=O)Nc2ccccc21"}
{"CAS":"2365-48-2","Substance Name":"","SMILES":"COC(=O)CS"}
{"CAS":"2368-64-1","Substance Name":"","SMILES":"O=C(Nc1ccccc1C(F)(F)F)C(F)(F)F"}
{"CAS":"2370-13-0","Substance Name":"","SMILES":"CCCCC(C)(C)CO"}
{"CAS":"2370-18-5","Substance Name":"","SMILES":"CC(C)CC1=CC(=Cc2cc(CC(C)C)c(O)c(CC(C)C)c2)C=C(CC(C)C)C1=O"}
{"CAS":"2370-61-8","Substance Name":"","SMILES":"NC(Cc1ccccc1O)C(=O)O"}
{"CAS":"2372-70-5","Substance Name":"","SMILES":"C=CCN1CCC(C(=O)OCC)(c2ccccc2)CC1"}
{"CAS":"2373-43-5","Substance Name":"","SMILES":"CCOP(=O)(OCC)c1ccc(Cl)cc1"}
{"CAS":"2373-84-4","Substance Name":"","SMILES":"C=CCC1(CC)C(=O)NC(=O)NC1=O"}
{"CAS":"05-02-74","Substance Name":"","SMILES":"Cc1cc(Br)cc(C)c1O"}
{"CAS":"2374-14-3","Substance Name":"","SMILES":"C[Si]1(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1"}
{"CAS":"2374-22-3","Substance Name":"","SMILES":"CS(=O)(=O)OCCCCCOS(C)(=O)=O"}
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{"CAS":"2378-79-2","Substance Name":"","SMILES":"Clc1ccccc1CNCC1=CCC(CNCc2ccccc2Cl)CC1"}
{"CAS":"2379-55-7","Substance Name":"","SMILES":"Cc1nc2ccccc2nc1C"}
{"CAS":"2379-90-0","Substance Name":"","SMILES":"COc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O"}
{"CAS":"2380-63-4","Substance Name":"","SMILES":"Nc1ncnc2n[nH]cc12"}
{"CAS":"2382-96-9","Substance Name":"","SMILES":"S=c1[nH]c2ccccc2o1"}
{"CAS":"2385-23-1","Substance Name":"","SMILES":"Cc1nc2ccccc2c(=O)n1-c1ccccc1"}
{"CAS":"2385-28-6","Substance Name":"","SMILES":"CCCCN1CCNC(=O)C1=O"}
{"CAS":"2385-81-1","Substance Name":"","SMILES":"CCOC(=O)C1(c2ccccc2)CCN(CCOCC2CCCO2)CC1"}
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{"CAS":"2385-93-5","Substance Name":"","SMILES":"CCCCSc1ccc(CC(=O)NO)cc1"}
{"CAS":"2386-25-6","Substance Name":"","SMILES":"CC(=O)c1c(C)c[nH]c1C"}
{"CAS":"2386-26-7","Substance Name":"","SMILES":"CCOC(=O)c1[nH]c(C)c(C(C)=O)c1C"}
{"CAS":"2386-60-9","Substance Name":"","SMILES":"CCCCS(=O)(=O)Cl"}
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{"CAS":"2396-84-1","Substance Name":"","SMILES":"CC=CC=CC(=O)OCC"}
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{"CAS":"2401-64-1","Substance Name":"","SMILES":"CN(C)c1nc(Cl)nc(Cl)n1"}
{"CAS":"2401-80-1","Substance Name":"","SMILES":"COc1cc(N=CN(C)C)c2ncccc2c1"}
{"CAS":"2401-85-6","Substance Name":"","SMILES":"O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1Cl"}
{"CAS":"2402-77-9","Substance Name":"","SMILES":"Clc1cccnc1Cl"}
{"CAS":"2402-78-0","Substance Name":"","SMILES":"Clc1cccc(Cl)n1"}
{"CAS":"2402-79-1","Substance Name":"","SMILES":"Clc1cc(Cl)c(Cl)nc1Cl"}
{"CAS":"2402-82-6","Substance Name":"","SMILES":"ICC1(CI)COC1"}
{"CAS":"2403-32-9","Substance Name":"","SMILES":"CC(N)CSS(=O)(=O)O"}
{"CAS":"2403-66-9","Substance Name":"","SMILES":"OCCCc1nc2ccccc2[nH]1"}
{"CAS":"05-09-04","Substance Name":"","SMILES":"CCOP(=O)(OCC)SC"}
{"CAS":"2404-18-4","Substance Name":"","SMILES":"O=C(OCCN1CCCCC1)C(c1ccccc1)N1CCCCC1"}
{"CAS":"2404-78-6","Substance Name":"","SMILES":"CCOP(=O)(SCC)SCC"}
{"CAS":"2407-60-5","Substance Name":"","SMILES":"COC(=O)C=CN1CC1"}
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{"CAS":"25813-25-6","Substance Name":"","SMILES":"O=c1c(Br)c[nH]cc1Br"}
{"CAS":"25816-87-9","Substance Name":"","SMILES":"CN(C)C=Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O"}
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{"CAS":"25898-71-9","Substance Name":"","SMILES":"CCCC(O)C#C[Si](C)(C)C(Cl)Cl"}
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{"CAS":"25939-02-0","Substance Name":"","SMILES":"Fc1ccc(/C(Cl)=N/Nc2ccccc2)cc1"}
{"CAS":"25939-05-3","Substance Name":"","SMILES":"ClC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1"}
{"CAS":"25939-12-2","Substance Name":"","SMILES":"ClC(=NNc1ccccc1)c1ccc(Br)cc1"}
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{"CAS":"TM30660000","Substance Name":"","SMILES":"CC(C)[N+]1(C)CCN(C(c2ccccc2)c2ccccc2Br)CC1"}
{"CAS":"UE35840000","Substance Name":"","SMILES":"CCC(=O)N(CC(C)N(CC)CC)c1cccs1"}
{"CAS":"UQ81900000","Substance Name":"","SMILES":"CCC1(CCC(C)C)C(=O)N(Cc2ccccc2)N(c2ccccc2)C1=O"}