# HG changeset patch # User recetox # Date 1647965214 0 # Node ID 72b687d21f650f90262c6c511a48b0909ff199db "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122" diff -r 000000000000 -r 72b687d21f65 filter_compounds.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/filter_compounds.py Tue Mar 22 16:06:54 2022 +0000 @@ -0,0 +1,60 @@ +import argparse +import re + +from openbabel import openbabel, pybel +openbabel.obErrorLog.StopLogging() + + +def parse_command_line(): + parser = argparse.ArgumentParser() + parser.add_argument('-i', '--input', required=True, help='Input file name') + parser.add_argument('-o', '--output', required=True, help='Output file name') + parser.add_argument('-m', '--met', required=False, action='store_true', help='Remove organometallic compounds') + parser.add_argument('-a', '--anorg', required=False, action='store_true', help='Remove anorganic compounds') + return parser.parse_args() + + +def filter_compounds(args, pattern): + print(pattern) + with open(args.input, "r") as infile, open(args.output, "w") as outfile: + for line in infile: + values = line.split('\t', 1) + + # check if input is list of SMILES or indexed table of SMILES + if values[0].isnumeric(): + mol = pybel.readstring('smi', values[1]).write('inchi').split('/')[1] if values[1].strip() else '' + + # check if both organometallic and anorganic filtering passes + # write original line if compound is organic without metals + if False not in ([bool(re.search(rf'{x}', mol)) for x in pattern]): + outfile.write(line) + else: + outfile.write(f'{values[0]}\t{""}\n') + else: + mol = pybel.readstring('smi', values[0]).write('inchi').split('/')[1] + if False not in ([bool(re.search(rf'{x}', mol)) for x in pattern]): + outfile.write(line) + + +def __main__(): + """ + Filter organometallics and/or anorganic compounds. + """ + args = parse_command_line() + + # check if user selected something to filter out, if not output file == input file + sel_pattern = [] + if args.met is False and args.anorg is False: + print("No filtering selected - user did not specify what to filter out.") + sel_pattern = r'^[a-zA-Z]+$' + # select patterns for filtering + if args.met: + sel_pattern.append(r'^(?:C|N|O|P|F|S|I|B|Si|Se|Cl|Br|Li|Na|H|K|[0-9]|\.)+$') + if args.anorg: + sel_pattern.append(r'[C][^abd-z]') + + filter_compounds(args, sel_pattern) + + +if __name__ == "__main__": + __main__() diff -r 000000000000 -r 72b687d21f65 filter_compounds.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/filter_compounds.xml Tue Mar 22 16:06:54 2022 +0000 @@ -0,0 +1,48 @@ + + from a library of compounds + + macros.xml + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff -r 000000000000 -r 72b687d21f65 macros.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/macros.xml Tue Mar 22 16:06:54 2022 +0000 @@ -0,0 +1,42 @@ + + 3.1.1 + 1 + + + + + + + + + + openbabel + python + + + + + + + + + + + + + + diff -r 000000000000 -r 72b687d21f65 test-data/input_all.smi --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/input_all.smi Tue Mar 22 16:06:54 2022 +0000 @@ -0,0 +1,1000 @@ +CC1=CC(=CC=C1SC)OP(=O)(NC(C)C)OCC +CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1 +CC(C)CC(O)CC(C)C +CC(C)=CCCC(C)=CCO +CCC(CNC1N=C(NC2C=CC(=CC=2)C2=NC3C=C(C=CC=3O2)C(C)(C)CC)N=C(NC2C=CC(=CC=2)C2=NC3C=C(C=CC=3O2)C(C)(C)CC)N=1)CCCC +CC1C=CC2=C(N=1)N(CC)C=C(C(O)=O)C2=O +CC(C)NC1=NC(Cl)=NC(NC(C)C)=N1 +OC1C=CC(=CC=1)C(O)=O +OC1=CC=CC2=CC=CC=C21 +OCCCl +NC1C=CC(=CC=1)NC1C=CC=CC=1 +OCC(Cl)CCl +CC1=CN=C(CC)C=N1 +CCOC(=O)C1C=CC(=CC=1)N1C(=O)C2=CC=C3C4=C2C(=CC=C4C(=O)N(C2C=CC(=CC=2)C(=O)OCC)C3=O)C1=O +NC(CO)(CO)CO +[Na+].CC1=CC(N=NC2C=CC(=CC=2)S([O-])(=O)=O)=C(N)C=C1N +Cl.Cl.COC(=O)C1C(C(C(=O)OCCN2CCN(CC2)C(C2C=CC=CC=2)C2C=CC=CC=2)=C(C)NC=1C)C1C=C(C=CC=1)[N+]([O-])=O +[Cu+2].[Cu+2].[Cu+2].[O-]C(=O)CC(O)(CC([O-])=O)C([O-])=O.[O-]C(=O)CC(O)(CC([O-])=O)C([O-])=O +CC(C)C1=CC(=C(C(=C1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O +CCC=CCCO +[Ca+2].[O-]C(=O)C(O)C(O)C(O)C(O)CO.[O-]C(=O)C(O)C(O)C(O)C(O)CO +O=C(C=CC=CC1=CC2OCOC=2C=C1)N1CCCCC1 +[Cr].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+] +COC1(C)CC(OC2C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC3OC(C)CC(C3O)N(C)C)C2C)OC(C)C1O.CCCCCCCCCCCCCCCCCC(O)=O +CC1C=CC=CC=1O +CCOC(=O)C1CCC(CC1)C(=O)OCC +[Na+].O=C[CH-]C=O +[Ce+3].[Ce+3].[O-]C([O-])=O.[O-]C([O-])=O.[O-]C([O-])=O +[Na+].[Zr+4].CC(O)C([O-])=O.CC(O)C([O-])=O.CC(O)C([O-])=O.CC(O)C([O-])=O.CC(O)C([O-])=O +O=C1NSC2C=CC=CC=21 +OC1C=CC2C=CC=CC=2C=1N=NC1C=CC=CC=1 +O.O.[Na+].[Na+].[Cu+2].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O +CC=CC1=CC=C(C=C1)OC +CC(C)(C)C(O)C(CC1=CC=C(Cl)C=C1)N1C=NC=N1 +CSCC(C=O)=CC1C=CC=CC=1 +CCCOC(=O)C1C=NC(=CC=1)C(=O)OCCC +CC1(C)CC2C1CCC1(C)OC1CCC2=C +OC1=CC=C(Cl)C=C1CC1C=CC=CC=1 +CC(C)(O)C=C +ClC1(Cl)C2(Cl)C3C=CC(Cl)C3C1(Cl)C(Cl)=C2Cl +CC(=O)OCC=C +CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +[Ca+2].[N-2]C#N +Cl.OCCNC1=CC2OCOC=2C=C1 +OCCOCCOCCO +[Na+].[O-]C1C(OC(=O)C=1O)C(O)CO +CC(C)C1CCC(C)CC1C(=O)NCC(=O)OCC +NCCC1=CC=C(O)C=C1 +CC1=CCC(CC1=O)C(C)=C +S=C1NCCN1 +COC(=O)OC1CCCC=CCC1 +CC1C=C(N)C(C)=CC=1C +CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC21C +COP(=O)(NC)OC1C=CC(=CC=1Cl)C(C)(C)C +CC1=CC2C=CC=NC=2C=C1 +[Na+].[O-]S(=O)(=O)C1=CC2C=CC(O)=C(N=NC3C=CC=CC=3)C=2C=C1 +ClC(Cl)C(Cl)(Cl)Cl +OC(=O)C1C(C2CCC1O2)C(O)=O +CC(CC1C=CC(=CC=1)C(C)(C)C)CN1CC(C)OC(C)C1 +CC(C)CCCC(C)(C)O +[Na+].[Na+].[Na+].[Na+].[O-]C([O-])=O.[O-]C([O-])=O.OO.OO.OO +ClC1(Cl)C2(Cl)C3CC(Cl)C(Cl)C3C1(Cl)C(Cl)=C2Cl +CCCCCC1=CC=CC(=O)O1 +[O-][N+](=O)C1=CC=C(C=NN2CC(=O)NC2=O)O1 +BrC1C(Br)=C(Br)C(Br)=C(Br)C=1Br +[Na+].CCC([O-])=O +[Cr+3].[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1 +NC(=O)CCC(N)C(O)=O +CC1C=C(C=C(C)C=1N(C)C)OC(=O)NC +CCOC(=O)C(C)C +CC(C)C1=CC=C(CC(C)C=O)C=C1 +CC(C)C12CC1C(C)C(=O)C2 +CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +CCCC(=O)OCCC(C)C +[Cl-].COC1=CC(N=NC2=CC(=CC=C2)[N+](C)(C)C)=C(C=C1N)OC +CN1CCCC1=O +CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +[Na+].[Na+].CC[N+](CC1=CC(=CC=C1)S([O-])(=O)=O)=C1C=CC(C=C1)=C(C1C=CC(O)=CC=1S([O-])(=O)=O)C1C=CC(=CC=1)N(CC1=CC(=CC=C1)S([O-])(=O)=O)CC +ClC1C=CC=CC=1C1N=NC(=NN=1)C1C=CC=CC=1Cl +CCC1C=CC=C(O)C=1 +CC(NC)C(O)C1C=CC=CC=1.CC(NC)C(O)C1C=CC=CC=1.OS(O)(=O)=O +CC(=O)OC1CCCCC1C(C)(C)C +[Na+].[Na+].CC1C=C(N=NC2=C(O)C=CC3C=C(C=CC=32)S([O-])(=O)=O)C(=CC=1S([O-])(=O)=O)OC +COC(=O)OCC +CCOP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)C1C=CC=CC=1 +COC1C=CC(=CC=1N)NCCO +CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CCO +NCCO.[O-][N+](=O)C1=CC(Cl)=C(C=C1)NC(=O)C1C=C(Cl)C=CC=1O +CC=CC1=CC=C(C=C1)OC +CCSC(=O)N1CCCCCC1 +CC(C)CCCC(C)CC#N +NC1C=CC(=CC=1)N=NC1C=CC(=CC=1)N(CCO)CCO +CC1CC2C(C(=O)O1)=C(O)C(=CC=2Cl)C(=O)NC(CC1C=CC=CC=1)C(O)=O +CC(CO)C1C=CC=CC=1 +CN(C)C(=O)NC1=CC(=CC=C1)C(F)(F)F +CC(C)N(C(=O)CCl)C1C=CC=CC=1 +Cl.NC1C=CC(=CC=1[N+]([O-])=O)N(CCO)CCO +CCSC(=O)N(CC(C)C)CC(C)C +O.[Zn+2].[O-]C([O-])=O +OCC(=O)CO +[Al+3].CC[O-].CC[O-].CC[O-] +[Al+3].CC(O)C([O-])=O.CC(O)C([O-])=O.CC(O)C([O-])=O +[Cu+2].NCCN.NCCN +CC(N)=O +CNCC(O)C(O)C(O)C(O)CO.O[Sb](=O)=O +CC(C)(C)C1=CC(CCC(=O)NNC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C +Cl.NC(CCC(O)=O)C(O)=O +CO +CC(Cl)CCl +CCCCCCCCOC(C)=O +CC(COC(=O)C1C=CC=CC=1)OC(=O)C1C=CC=CC=1 +CC(=CC1C(C)=CCCC1(C)C)C(C)=O +CCNC1=CC(=CC(Cl)=C1O)[N+]([O-])=O +COC(=O)NS(=O)(=O)C1C=CC(N)=CC=1 +O.O.O.O.O.[Ca+2].CC(O)C([O-])=O.CC(O)C([O-])=O +CC=C(C)C1CCC(C)(C)O1 +N#CC1=CC(Br)=C(O)C(Br)=C1 +C=C(Cl)Cl +CCCC1=CC2OCOC=2C=C1 +CCCCCC(C=O)=CC1C=CC=CC=1 +CC(=O)OC(C)(C)C +COC(=O)NC1NC2C=CC=CC=2N=1 +CC1(C=C)OC(=O)N(C2C=C(Cl)C=C(Cl)C=2)C1=O +CN1C2N=CN(C)C=2C(=O)NC1=O +CCOC(=O)C(C)C=C=C +CC1=CC(=CC=C1N=NC1C=CC(=CC=1)[N+]([O-])=O)N(CCO)CCO +COP(=S)(OC)SCN1N=NC2C=CC=CC=2C1=O +NC1C(Cl)=C(N=C(Cl)C=1Cl)C(O)=O +CC1C=CC=C(CC)C=1N(C(C)COC)C(=O)CCl +CC1C2=CC=CC=C2OC=1C(C)=O +CC1C=NC=CC=1 +COP(=O)(OC(=CCl)C1=CC(Cl)=C(Cl)C=C1Cl)OC +CC(C)=CC1C(C(=O)OCN2C(=O)C3CCCCC=3C2=O)C1(C)C +OC1C=CC=CC=1 +CCCCCC(=O)OCC=C +[Ca+2].O=S1(=O)[N-]C(=O)C2=CC=CC=C12.O=S1(=O)[N-]C(=O)C2=CC=CC=C12 +C=CC1(CC=CCC1)C=O +CN1C=C(C(=O)C(=C1)C1C=CC=CC=1)C1=CC(=CC=C1)C(F)(F)F +OC1=CC(O)=C(Cl)C=C1 +O.O.O.[Ce+3].[Ce+3].CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O +CC(=O)C(C)C(=C)C(C)C(C)(C)C +C=CCCCCCCCCC(O)=O +OC(C(=O)C1C=CC=CC=1)C1C=CC=CC=1 +CC1C(C)(C)C2CCC3CC(C)(C)OC3C2C1(C)C +CCCCC(COC(=O)C1C=CC=CC=1C(=O)OCC(CCCC)CC)CC +ClC(Br)Br +CC(C)O +CCCCCCCCCCCCCC(=O)OC +ClCCl +C=C(C1CCCCC1)C(=O)CCC=C +[Cu+2].[Cu+2].[Cu+2].[Cu+2].CC([O-])=O.CC([O-])=O.[O-][As]=O.[O-][As]=O.[O-][As]=O.[O-][As]=O.[O-][As]=O.[O-][As]=O +[K+].[K+].[K+].[Fe+3].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N +CC1(C)C(=O)N(CO)C(=O)N1CO +CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O +C1=CC=CC=N1 +OC(CO)CO +Cl.Cl.NC1=CC(CC2C=C(N)C=CC=2O)=C(O)C=C1 +CCOC(=O)C(CC(=O)OCC)SP(=O)(OC)OC +CC1CC(=O)CCCCCCCCCCCC1 +O=CC1=CC=CO1 +CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C +CNC(=O)ON=CC(C)(C)SC +NC1=CC(=C(N)C=C1)[N+]([O-])=O +[Na+].[O-]S(=O)(=O)NC1CCCCC1 +CC(=O)CCC1C=CC=CC=1 +CCP(=S)(OCC)SC1C=CC=CC=1 +COC1C=CC(CC=C)=CC=1OC +COCN(C(=O)CCl)C1C(CC)=CC=CC=1CC +C1=C(C=CC2C=CC=CC=21)NC1C=CC=CC=1 +[Fe+2].[O-]C(=O)C(O)C(O)C(O)C(O)C(O)CO.[O-]C(=O)C(O)C(O)C(O)C(O)C(O)CO +OC1C2OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(OC(OC2CO)C1O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O +[Ca+2].[O-]C(=O)C1C=CC=CC=1.[O-]C(=O)C1C=CC=CC=1 +[Na+].[O-]C(=O)CF +CCCCOC(C)=O +CCOC(=O)C1C=CC=CC=1C(=O)OCC +OC1C=CC(Cl)=CC=1Cl +C1COCCN1 +SC1=CC2C=CC=CC=2C=C1 +[Na+].[Na+].NC1C=C(C=C2C=C(C(N=NC3C=CC=CC=3)=C(O)C2=1)S([O-])(=O)=O)S([O-])(=O)=O +CCC12CC3CC1C2C3OC +CCCC1=CC=C(C=C1)OC +CC(Cl)(Cl)Cl +CC(C)OC(=O)C(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1 +ClCCCl +CC(O)=O +CC(C)(Cl)OC(C)(C)Cl +O=C(OC(COC(=O)C1C=CC=CC=1)COC(=O)C1C=CC=CC=1)C1C=CC=CC=1 +CCN(CC)C(=S)SSC(=S)N(CC)CC +C=CC(N)=O +CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC +CC(C)(CC)C1CCC(CC1)OCC +CCOC(=O)CC1(C)OCCO1 +CC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O +CCCCCCC(C=O)=CC1C=CC=CC=1 +Cl.CC1N=CC(CO)=C(CO)C=1O +CC1CCC(CC=1)C(C)(C)OC(C)=O +CC(C)C1CCC(C)CC1=O +CC(C)(O)CCCC1CCC(CC=1)C=O +Cl.NC1=C(Cl)C(O)=CC=C1Cl +Cl.COC1C=CC2N=CC=C(C(O)C3CC4CCN3CC4C=C)C=2C=1 +CC(C)(C#N)OC1OC(CO)C(O)C(O)C1O +CC(=O)C1C=CC=CN=1 +[Ca+2].[O-]C=O.[O-]C=O +[Cl-].C[N+](C)(C)C1=CC2C(N=NC3C=CC=CC=3OC)=C(O)C=CC=2C=C1 +CC1C=C(C=CC=1)N(CC)C(=O)CC +CBr +C=CC#N +[O-][N+](=O)C1C=C(C=CC=1NCCO)OCC(O)CO +CC1(C)C2CCC1(C)C(=O)C2=CC1C=CC=CC=1 +OCCOCCO +OC1C=CC=CC=1C(O)=O +CC=O +O=C1CCCCCN1 +CC(C)OC(=O)NC1C=CC=CC=1 +CC(C)CCO +COP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC +C1=CC=CC2NN=NC=21 +COC(=O)NC1NC2=CC(=CC=C2N=1)SC1C=CC=CC=1 +CCCCCCCCC(O)=O +CC(=O)NC1=CC(N)=C(C=C1)OCC +C=CCCCCCCCCC=O +O=C(OCC1C=CC=CC=1)C1C=CC=CC=1 +C1OC1C1C=CC=CC=1 +CN(C)C1C=CC=CC=1 +NC1C=C(O)C=CC=1 +CCC1CCC(=O)C=1O +[Na+].[O-]C(=O)CNCO +[Na+].NC1C=C(C=C(C=1[O-])[N+]([O-])=O)[N+]([O-])=O +CC1CC(=O)OC1CCCCCC +[Cd+2].CC([O-])=O.CC([O-])=O +OC1=CC(O)=CC=C1 +[O-][N+](=O)C1=CC(O)=CC=C1NCCCO +CC(C)(C)C(=O)C(OC1C=CC(Cl)=CC=1)N1C=NC=N1 +CC1=CC(C)=C(C=C1)C(C)=O +CC1=CC=C(C=C1)C=C +CC1N=CSC=1CCO +[Na+].[Na+].CC1=CC(=C(C=C1)NC1=CC=C(NC2=CC=C(C)C=C2S([O-])(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S([O-])(=O)=O +COC(=O)OC +CC(C)C12CC1C(C)C(=O)C2 +CC(C)=CC=O +[O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O +CC(CO)C1CCC(C)(C)C23CC(CC2)C(C)(C)C3=1 +CNC1C=CC(=CC=1[N+]([O-])=O)N(CCO)CCO +CCCCCCCOC(=O)C1C=CC(O)=CC=1 +[Cl-].C[N+](C)(C)C1C=C2C(N=NC3=CC(=C(N)C=C3)[N+]([O-])=O)=C(O)C=CC2=CC=1 +O.O.O.CC(N)(CC1=CC(O)=C(O)C=C1)C(O)=O.CC(N)(CC1=CC(O)=C(O)C=C1)C(O)=O +CCCCCCC(O)=O +[Ca+2].CC(O)C([O-])=O.CC(O)C([O-])=O +COC(N)=O +[K+].CC=CC=CC([O-])=O +[Ba+2].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O +C1N2CN3CN1CN(C2)C3 +CC1C2=CC=C(C=C2OC(=O)C=1Cl)OP(=S)(OCC)OCC +CC(CC1CC(O)=C(C(=O)C1)C(CCC)=NOCC)SCC +COC(=O)C1C=CC=CC=1O +NC1C=CC(O)=CC=1[N+]([O-])=O +[Br-].[Br-].C1C[N+]2=CC=CC=C2C2C=CC=C[N+]=21 +OC1OCC=C2OC(=O)C=C21 +CCCC1COC(CN2C=NC=N2)(O1)C1=CC=C(Cl)C=C1Cl +CC1(C)C2CCC(C)C32CC1C(C)(O)CC3 +COC(=O)C1C=CC=CC=1N +CC1=CC(CCCOP2OC3C(=CC(=CC=3C3=CC(=CC(=C3O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C +CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O +COP(=O)OC +C(C1=CC=CO1)N1C=CC=C1 +CNC1C=CC=CC=1C(=O)OC +CCCCCC(=O)OCC +O.[K+].[K+].[K+].[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O +[Mn+2].[Mn+2].[Mn+2].[O-]C(=O)CC(O)(CC([O-])=O)C([O-])=O.[O-]C(=O)CC(O)(CC([O-])=O)C([O-])=O +OC1C=C2C=C(O)C=CC2=CC=1 +CC(CCO)CCC=C(C)C +CCCCOC(=O)C1C=CC=CC=1C(=O)OCC1C=CC=CC=1 +CCCCC(C)O +CCCCNC(=O)OCC#CI +CC(=NOC(=O)NC)SC +NC1=CC(N)=C(C=C1)OCCCOC1C=CC(N)=CC=1N +CP(=O)(OC)OC +CC1COC(=O)O1 +CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C(C)=C(C)C(OC(C)=O)=C2C +CC1C=C(O)C=CC=1C +C=CC(=O)NCO +[Na+].[Na+].[Na+].[O-]S(=O)(=O)C1=CC2C=C(C=CC=2C(N=NC2=CC=C(C3C=CC=CC=32)S([O-])(=O)=O)=C1O)S([O-])(=O)=O +[Na+].[Na+].[Na+].[Na+].[Zr+4].CC([O-])C([O-])=O.CC([O-])C([O-])=O.CC([O-])C([O-])=O.CC([O-])C([O-])=O +CC1C=CC=C(C)C=1O +CC1CCC(CC=1)C(C)=C +OC(=O)CBr +CC1(C)C(C)C(C)(C)C2C=C3COCC(C)C3=CC1=2 +ClC1C=CC(Cl)=CC=1 +CC(C)C1CCC(C)CC1O +[Co+2].CCCCCCCCC=CCCCCCCCC([O-])=O.CCCCCCCCC=CCCCCCCCC([O-])=O +NC(CS)C(O)=O +[Mg+2].[O-]C(=O)C1C=CC=CC=1.[O-]C(=O)C1C=CC=CC=1 +CC(OC(C)(C)CC)C(=O)OCCC +CC1C=C(O)C=C(C)C=1Cl +C1C(N=C2SCCN21)C1C=CC=CC=1 +CN(C=NC1=CC=C(C)C=C1C)C=NC1=CC=C(C)C=C1C +CC1CC=CCCCCCCCCCC(=O)C1 +CC1(C)C(C1C=C(Cl)C(F)(F)F)C(=O)OCC1C=CC=C(C2C=CC=CC=2)C=1C +CC(O)CCO +[Cr+3].[O-][N+]([O-])=O.[O-]C(=O)C=CC([O-])=O +COC1C2OC=CC=2C=C2C=CC(=O)OC2=1 +OC(=O)COC1C=CC(Cl)=CC=1Cl +CCCCCCCCCCCCCCCC(=O)OC +[Cl-].C[N+]12CN3CN(C1)CN(C2)C3 +C1=CNC2=CC=CC=C21 +CC(C)(C)C1C=CC(=CC=1)C(O)=O +CCCCCCCCC=CCCCCCCCC(=O)OCC +CCCCCC=CC=CC=O +[Ba+2].[C-]#N.[C-]#N +CC(C)(C)C1=CC=C(C=C1)OC1CCCCC1OS(=O)OCC#C +CC1=CC2=CC=CC=C2C=C1 +NC1CCCCC1 +[Mg+2].CC([O-])=O.CC([O-])=O +NC(=N)NCCCC(N)C(O)=O +CCCCCCCCCCCCO +[Na+].[O-]C(=O)C1C=C(C=CC=1[N+]([O-])=O)OC1C=CC(=CC=1Cl)C(F)(F)F +[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C +CCCCOC(=O)C1C=CC=CC=1C(=O)OCCCC +[Na+].[Na+].[O-]S(=O)(=O)C1=CC=C(N=NC2C=C(C3C=CC=CC=3C=2O)S([O-])(=O)=O)C2C=CC=CC=21 +[Na+].[O-]C1C(OC(=O)C=1O)C(O)CO +OC(=O)C(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1 +CNC(=O)CSP(=S)(OC)OC +CN(C)NC(=O)CCC(O)=O +ClC1=CC=CC=C1NC1N=C(Cl)N=C(Cl)N=1 +[K+].CC1=CC(=O)[N-]S(=O)(=O)O1 +NC(N)=O.NC(N)=O.OS(O)(=O)=O +CC(C)C(=O)OCC(C)C +[NH4+].CC1(C)C2CCC3(C)C(C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C([O-])=O)C2(C)CCC1OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O +Cl.CN(C)C(C)CN1C2=CC=CC=C2SC2C=CC=CC1=2 +NC(CO)C(O)=O +OCC(O)C(O)C(O)C(O)C=O +[Ba+2].CC([O-])=O.CC([O-])=O +CC(=O)OCCC1C=CC=CC=1 +OC1C=CC(O)=CC=1 +OCC(O)=O +CC1C=CC(C)=C(O)C=1C +[Cl-].CC1=NN(C(=O)C1N=NC1=CC(=CC=C1)[N+](C)(C)C)C1C=CC=CC=1 +C=CCCCCCCCC=CCC#N +CCOC(=O)C1C=COC=1C1C=CC=CC=1 +CC(C)C(O)(C1C=NC=NC=1)C1C=CC(=CC=1)OC(F)(F)F +CC(C)CC(O)=O +ClC1C=CC=CC=1 +CC(=O)OC1CCC(CC1)C(C)(C)C +C1CC2=CC=CC3=CC=CC1=C23 +NC1=CC=C(C=C1)N(CCO)CCO.OS(O)(=O)=O +[Ni+2].CC([O-])=O.CC([O-])=O +[Na+].CC(O)=O.CC([O-])=O +CCOC(=O)CCCCCCCCC(=O)OCC +CCSCCSP(=S)(OCC)OCC +CC1=CCC(CC=C(CO)CC)C1(C)C +O.O.O.[K+].[K+].[O-]C([O-])=O +CC(=C)C(=O)OCCCC +ClC(Cl)(Cl)C(Cl)(Cl)Cl +CC(C)CCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCC(C)C +[Cl-].[Cl-].C[N+]1C=CC(=CC=1)C1C=C[N+](C)=CC=1 +CC1C=CC(=CC=1)OC +CC1=CC=CC(=C1N)[N+]([O-])=O +CC1CC=CC=CC=CC=CC(CC2OC(O)(CC(O)C2C(O)=O)CC(O)CC2OC2C=CC(=O)O1)OC1OC(C)C(O)C(N)C1O +COC(=O)C1C=CC(O)=CC=1 +CCCCCCCCCCCCCCC1C(=O)OC1=CCCCCCCCCCCCCCC +[Na+].NC(CCC(O)=O)C([O-])=O +CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +[Na+].[Na+].[O-]P([O-])(=O)OCC1OC(C(O)C1O)N1C=NC2=C1NC=NC2=O +CC1=CCC(CC1=O)C(C)=C +COC1=CC2C(C=C1)=NC=CC=2CC1CC2CCN1CC2C=C +CCCN(CCC)S(=O)(=O)C1C=CC(=CC=1)C(O)=O +[PbH2+2].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O +O=C1CCCCCCCCCCCCCCC1 +CC1C=CC(O)=C(C=1)OCC +C1=CC=CC2C=CC=CC=21 +CC1CCC(CC=1)C(C)CC1CCCC1=O +OC(=O)C1=CC2=C(C=C1)N=C1C=CC=CN1C2=O +CC1C2CC3CC1CC(C2O)C3=C +O=C1CCCOC(=O)CCCCCCCCCC1 +C=CC1C=CC=CC=1 +NCCN +CCCC(=O)OCCCC +CC1OC=CC=1SSCCC +[NH4+].[NH4+].[NH4+].[NH4+].[Fe+2].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N +CCNC1N=C(NC(C)(C)C)N=C(N=1)SC +CC(CCl)OC(C)CCl +OC(=O)C(O)C(O)C(O)=O +NC1C=CC=CC=1C(=O)OCC=CC1C=CC=CC=1 +CC1=CC(C)=NN1CO +CC(C)=CCCC(C)=CCCC(C)=CCO +CC(=C)C1CC2(C)C(C)CC(=O)C=C2CC1 +CC1=C(C=CN=C1CS(=O)C1NC2C=CC=CC=2N=1)OCC(F)(F)F +ClCC1CO1 +CCCC(=O)OCC=C +CCC1=CC=C(CC(C)(C)C#N)C=C1 +O=C1CCCCCCCC=CCCCCCC1 +OC(CO)C(O)C(O)C(O)CO +CC(C)OC1C=C(C=CC=1)NC(=O)C1C=CC=CC=1C(F)(F)F +CC(C)NCC(O)COC1=CC=CC2NC3=CC=CC=C3C1=2 +[Na+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C([O-])=O +CCCC1CC(C)(CCO1)OC(C)=O +CCN(CCO)C1=CC(=C(C=C1)NCCO)[N+]([O-])=O +[Na+].[Na+].[O-]C1C(Br)=C2OC3C(=CC(Br)=C([O-])C=3Br)C3(OC(=O)C4=C3C(Cl)=C(Cl)C(Cl)=C4Cl)C2=CC=1Br +C(OCC1C=CC=CC=1)C1C=CC=CC=1 +CC(=O)NC1C=CC=CC=1 +C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 +CC1CCC(=O)O1 +CC1C=CC=CC=1 +CCN(CCCNC(=O)CN1N=CC(=C1C1C=CC=CC=1)C1C=CC=CC=1)CC +CN(C)CCCN1C2=CC=CC=C2SC2C=CC(Cl)=CC1=2 +[Ba+2].[O-]C(=O)C(O)C(O)C(O)C(O)CO.[O-]C(=O)C(O)C(O)C(O)C(O)CO +[Mn+2].CC([O-])=O.CC([O-])=O +NS(=O)(=O)C1=CC2=C(C=C1Cl)NCNS2(=O)=O +CCOP(OC1=C(C=C(C=C1C)C(C)(C)C)C(C)(C)C)OC1=C(C=C(C=C1C)C(C)(C)C)C(C)(C)C +CC#N +CCOC(=O)C1C=CC(O)=CC=1 +CC(=O)OCC1=CC=C(C=C1)OC +CC(C)(C)C1C=C(CCC(=O)OCCOCCOCCOC(=O)CCC2C=C(C)C(O)=C(C=2)C(C)(C)C)C=C(C)C=1O +CC(=O)N(CCN(C(C)=O)C(C)=O)C(C)=O +CC(C)C(N)C(O)=O +CC(C)C1CCC(CO)CC1 +CCOP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OCC +[K+].[Ag+].[C-]#N.[C-]#N +[Na+].[Na+].[O-]S(=O)(=O)C1=CC2=C(C=C1)NC(=C1NC3C=CC(=CC=3C1=O)S([O-])(=O)=O)C2=O +CCCC(O)=O +OC(=O)CC1NC(=O)C(CC2C=CC=CC=2)NC1=O +CC1OC(CC(C)O1)OC(C)=O +CNC(=O)ON=CC(C)(C)S(C)(=O)=O +[Pb+4].CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O +O=CC=O +[Na+].[Na+].[Na+].[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O +N#CC(Cl)(Cl)Cl +OC(=O)CNCP(O)(O)=O +C#CCO +CC1C(C)OC(=O)C=1O +CC1(C)CCCC(=C)C1C(=O)OC +O.O.O.[PbH2+2].CC([O-])=O.CC([O-])=O +[Ca+2].[O-]C(=O)C(O)C(O)C(O)C(O)CO.[O-]C(=O)C(O)C(O)C(O)C(O)CO +NC(CC1=CNC2C=CC=CC=21)C(O)=O +CC1(C)COC2(CCCC2)OC1C(C)C +Cl.Cl.CC1C(N)=CC=CC=1N +CCCCCC(O)CC +N#CCCC(Br)(CBr)C#N +CC1=CC=C(N)C(Cl)=C1O +O.O.[Zn+2].CC([O-])=O.CC([O-])=O +CC1(C)CCCC(C)(OC(C)=O)C21CCC(C)O2 +CC(O)C(C)SC(C)C(C)S +COC1C=CC(CC=C)=CC=1 +Cl.Cl.Cl.Cl.NC1C=CC(=CC=1)N(CC(O)CN(CCO)C1C=CC(N)=CC=1)CCO +CNC(=O)ON=C(SC)C(=O)N(C)C +[Mg+2].CC[O-].CC[O-] +CC1=CCCC(C)(C)C1C=CC(C)=O +O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl +O=S1(=O)CC=CC1 +O=C1OCC2C=CC=CC=21 +CC(CCC1C=CC=CC=1)=CC#N +[Na+].CCC(COC(=O)CC(C(=O)OCC(CCCC)CC)S([O-])(=O)=O)CCCC +COC(=O)C1C=CC(=CC=1)C(=O)OC +CC1(C)C(C1C(=O)OC(C#N)C1C=CC=C(C=1)OC1C=CC=CC=1)C(Br)C(Br)(Br)Br +COC1C=CC=CC=1C=O +CCCCCC=CC=CC=O +[Na+].[Na+].[Na+].[O-]S(=O)(=O)C1=CC2C=CC(O)=C(N=NC3=CC=C(C4C=CC=CC=43)S([O-])(=O)=O)C=2C(=C1)S([O-])(=O)=O +CN1C(=O)C2=C(N=CN2C)N(C)C1=O +CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +CC(C)(C)C1C=C(O)C(O)=CC=1 +CC(C)CC(=O)CC(C)C +CC=CC=CC=O +[Cl-].C[N+](C)(CCCCCCCCCC)CCCCCCCCCC +[Zr+2].CCCCCCCC([O-])=O.CCCCCCCC([O-])=O +CCCCNC(=O)N1C(NC(=O)OC)=NC2=CC=CC=C12 +C=O +CC1=CC(=NC(=N1)C(C)C)OP(=S)(OCC)OCC +CCOC(=C)C1C(C)(C)CC(=O)CC1(C)C +NC(=S)NNC(N)=S +CC(=O)OC(C1C=CC=CC=1)C(Cl)(Cl)Cl +CCCCCC#CC(=O)OC +[Ca+2].[O-]S(=O)(=O)NC1CCCCC1.[O-]S(=O)(=O)NC1CCCCC1 +OC(=O)CCl +COC1=CC=C2CC3C4C=CC(O)C5OC1=C2C45CCN3C +[Na+].CC(O)=O.CC([O-])=O +[Na+].[Na+].NC1NC2=C(N=CN2C2OC(COP([O-])([O-])=O)C(O)C2O)C(=O)N=1 +COC1=CC(=CC=C1OC(=O)C(C)C)C=O +C=CCNC1C=CC(N)=CC=1[N+]([O-])=O +C1=CC=C2C=CC=C3C2=C1C1=CC=CC=C31 +CCCCCCCCCCCCCCCCCC(=O)OCCCC +[Co+2].CCC([O-])=O.CCC([O-])=O +CCCCCCCCO +O=CC=CC1C=CC=CC=1 +[Cu+2].CCCCCCCCC=CCCCCCCCC([O-])=O.CCCCCCCCC=CCCCCCCCC([O-])=O +CC(C)(C)C1=CC(C)=CC(=C1OP1OCC2(COP(OC3C(=CC(C)=CC=3C(C)(C)C)C(C)(C)C)OC2)CO1)C(C)(C)C +OC1=CC2CCNC=2C=C1O +CNC1C=C(C=CC=1[N+]([O-])=O)OCCO +CC1C(C)(C)C2CCCC3OC(C)(C)CC23C1(C)C +NC1N=C(N)C(N)=C(N=1)OS(O)(=O)=O +OC(=O)C1C=NC=CC=1 +CCOC=O +OC(=O)CCSCCC(O)=O +CC=C1CC2CC1C1CCC(=O)OC12 +COC1C=C(C=CC=1CNC(=O)C(=O)NCCC1C=CC=CN=1)OC +CC(C)=CCCC(C)=CC#N +CCC(CN1C(=O)C2C(C3CC2C=C3)C1=O)CCCC +CCOC(=O)C=CC1C=CC=CC=1 +CC(O)C(C)(C)C=CC1CC=C(C)C1(C)C +OC(=O)C1CCC(CC1)C(O)=O +[O-][N+](=O)C1C=CC=CC=1 +CCCCCCCCCCCCCCC(C)C1C=C(C)C=C(C)C=1O +OCC1C=CC(Cl)=CC=1Cl +CC1C=C(C=CC=1SC)OP(=S)(OC)OC +[Hg+2].CC([O-])=O.CC([O-])=O +COP(N)(=O)SC +CC1C(=C(O)C=C2C=1C(=O)C1C(C2=O)=C(O)C(O)=C(C2OC(CO)C(O)C(O)C2O)C=1O)C(O)=O +[Cl-].C[N+]1(C)CCCCC1 +O.O.O.CC1(C)SC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C1C(O)=O +CC(CO)CCCC1C=CC=CC=1 +COC(CC1C=CC=CC=1)OC +CCCCC(CO)CC +NCCCCCCCCCCC(O)=O +COC(=O)C(CC1C=CC=CC=1)NC(=O)C(N)CC(O)=O +CCCCCCCCCCCCCCCCCCOC(=O)CCC1C=C(C(O)=C(C=1)C(C)(C)C)C(C)(C)C +CCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCC +CCCCSP(=O)(SCCCC)SCCCC +[Tl+].[Tl+].[O-]C([O-])=O +NC1=CC=CC=C1C(O)=O +[Na+].[O-]C(=O)C1C=CC=CC=1 +O=C1CCC2=CC=CC=C2O1 +CC1OC(OC2C(OC(CO)C(O)C2O)OC2=CC(O)=C(C(=O)CCC3C=CC(OC)=C(O)C=3)C(O)=C2)C(O)C(O)C1O +CC(CCC=C(C)C)C=O +[Na+].[Na+].[Fe+3].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O +O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 +CCCCCCCCCCCCCCCCO +CC1(C)C2CCC1(C)C(=O)C2=CC1C=CC(=CC=1)[N+](C)(C)C.COS([O-])(=O)=O +CC(O)(P(O)(O)=O)P(O)(O)=O +CC(O)CN(CC(C)O)CC(C)O +CC(CCCC(C)(C)O)C=C +NC1C=CC(N)=C2C=1C(=O)C1=C(C2=O)C(N)=CC=C1N +COP(=O)(NC(C)=O)SC +CCOC(=O)COC(=O)C1C=CC=CC=1C(=O)OCC +NC1=CC(N)=CC=C1 +OCCOC1C=CC=CC=1 +CC1C=CC(=CC=1C)C1OCC2OC(OC(C2O1)C(O)CO)C1=CC(C)=C(C)C=C1 +COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O +Cl.Cl.NCCNCCNCCN +OC1C=CC=C2C=1C=CC=C2O +C1=CC=CC=C1OC1C=CC=CC=1 +[Na+].CN(C)C1C=CC(=CC=1)C(C1C=CC(=CC=1)N(CC1=CC(=CC=C1)S([O-])(=O)=O)CC)=C1C=CC(C=C1)=[N+](CC1=CC(=CC=C1)S([O-])(=O)=O)CC +CC1CCC(CC=1)C(C)=C +OC1C=CC=CC=1C1C=CC=CC=1 +OCCC1C=CC=CC=1 +OCCN(CCO)CCO +COC1=CC(CC=C)=CC=C1O +CC1=C(C(=O)C2C=CC(=CC=2)OC)C2C=CC=CC=2N1CCN1CCOCC1 +CC1=CCC(C(=C)CC(C)CO)C1(C)C +OC1C=C(C=CC=1O)C(O)=O +ClC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl +CCCCCCCCC=CCCCCCCCC(O)=O +[Fe+2].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.N#[O+] +CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O +NC1C=C(C=CC=1O)[N+]([O-])=O +OCC(O)C(O)C(O)C=O +[Cu+2].CCCCCCCC([O-])=O.CCCCCCCC([O-])=O +CC1=CC(O)=CC=C1 +CCCCCCCCC=CCCCCCCCCN +CC(CC#N)CCC=C(C)C +S=C1NC2C=CC=CC=2S1 +C1=CC=CC=C1[Ge](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1 +CC(C)[Mg]Cl +CC(=O)O[Sn](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1 +CCCCCCCC[Sn](CCCCCCCC)(SCC(=O)OCC(CCCC)CC)SCC(=O)OCC(CCCC)CC +CCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC +CC(=O)[CH-]C(C)=[O+][Al]([O+]=C(C)[CH-]C(C)=O)[O+]=C(C)[CH-]C(C)=O +CCCCC(COC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCC(CCCC)CC)CC +CCCC[Mg]C(C)CC +NC(=O)NC1C=CC(=CC=1)[As](O)(O)=O +C[Hg]NC(=N)NC#N +Br[Hg]C1C=CC=CC=1 +CC1C=C(C)C=C(C)C=1[Sn](C)(C)C +C[Sn](SCC(=O)OCC(CCCC)CC)(SCC(=O)OCC(CCCC)CC)SCC(=O)OCC(CCCC)CC +OC(CO)C(O)C(O)C(O)C(=O)O[Fe]OC(=O)C(O)C(O)C(O)C(O)CO +CCCCCCCCCCCCCCCCCC[Pb]O[Pb]O[Pb]CCCCCCCCCCCCCCCCCC +CCCCCCCCC=CCCCCCCCC(=O)O[Hg]C1C=CC=CC=1 +C=C[Sn](C=C)(C=C)C=C +CO[Sn](CCCC)(CCCC)OC +C[Hg]C#N +CCCO[Ti](OCCC)(OCCC)OCCC +C[Al](C)Cl +O=C(O[Bi]=O)O[Bi]=O +CCCC[Sn](O)(O)Cl +CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC +[C]#[W] +COC(=O)C=CC(=O)O[Sn](CCCC)(CCCC)OC(=O)C=CC(=O)OC +CC[Zn]CC +COCCOCCOCC1=C[N+]2O[Zn-2]3(O[N+]4=CC(COCCOCCOC)=CC=C4S3)SC=2C=C1 +NC(=O)NC1N=C(NC1=O)O[Al](O)O +CC1(C)C(CCC(N)=O)C2N=C1C=C1N=C(C(C)=C3C(CCC(N)=O)C(C)(CC(N)=O)C(C)(C4N=C(C=2C)C(C)(CCC(=O)NCC(C)OP(O)(=O)OC2C(CO)OC(C2O)N2C=NC5C=C(C)C(C)=CC2=5)C4CC(N)=O)N3[Co]OC(C)=O)C(C)(CC(N)=O)C1CCC(N)=O +CC(C)(C[Sn](CC(C)(C)C1C=CC=CC=1)(CC(C)(C)C1C=CC=CC=1)O[Sn](CC(C)(C)C1C=CC=CC=1)(CC(C)(C)C1C=CC=CC=1)CC(C)(C)C1C=CC=CC=1)C1C=CC=CC=1 +C[SnH](C)C +C1=CC=CC2=[S][Cu+2]3([O-]N4C=CC=CC4=[S]3)[O-]N21 +C1=CC=CC=C1[Te][Te]C1C=CC=CC=1 +CCCC[Sn](SCC(=O)OCC(CCCC)CC)(SCC(=O)OCC(CCCC)CC)SCC(=O)OCC(CCCC)CC +C[As](C)(C)=O +CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)CCCCCCCC +C[Sn](C)(SCC(=O)OCC(CCCC)CC)SCC(=O)OCC(CCCC)CC +CCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCC)CCCCCCCCCCCCCC +C[Hg]C +Cl[Sn](Cl)(Cl)C1C=CC=CC=1 +CC[Sn](CC)(CC)CC +CCC(COCC=C)(COCC=C)CO[Zr](OCC(COCC=C)(COCC=C)CC)(OCC(COCC=C)(COCC=C)CC)OCC(COCC=C)(COCC=C)CC +N#C[Au-]C#N +Cl[Sn](Cl)(C1C=CC=CC=1)C1C=CC=CC=1 +CC(=O)O[Zr](=O)OC(C)=O +C[Pb](CC)(CC)CC +C=C[Sn](Cl)(C=C)C=C +CC(=O)[CH-]C(C)=[O+][Fe]([O+]=C(C)[CH-]C(C)=O)[O+]=C(C)[CH-]C(C)=O +CC(=CC(=O)OCC)O[Al](OC(C)C)OC(C)C +CCCCCCCC[Sn](Cl)(CCCCCCCC)CCCCCCCC +CC(C)O[Ti]12OCCN(CCO1)CCO2 +CC[Al-]1(Cl)[Cl+][Al-](CC)(CC)[Cl+]1 +COC(C[Hg]O)CNC(=O)C1=CC=CC=C1OCC(O)=O +CC1(C)C(CCC(N)=O)C2N=C1C=C1N=C(C(C)=C3C(CCC(N)=O)C(C)(CC(N)=O)C(C)(C4N=C(C=2C)C(C)(CCC(=O)NCC(C)OP([O-])(=O)OC2C(CO)OC(C2O)N2C=NC5C=C(C)C(C)=CC2=5)C4CC(N)=O)N3[Co+]C#N)C(C)(CC(N)=O)C1CCC(N)=O +CC(=O)NC1C=C(C=CC=1O)[As](O)(O)=O +CC1=C2C=C3N=C(C=C4C(CCC(O)=O)=C(C)C5=CC6=NC(=CC(=C1CCC(O)=O)N2[Fe]N45)C(CCC(O)=O)=C6C)C(C)=C3CCC(O)=O +C[Hg+] +CCCC[Sn](CCCC)(OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC +CCCCCCCCCCCCCCCCCC1O[Cr](Cl)(Cl)O[Cr](Cl)(Cl)[O+]=1 +CC(C)CCCCCOC(=O)CS[Sn](CCCCCCCC)(CCCCCCCC)SCC(=O)OCCCCCC(C)C +C[As](O)(O)=O +C[As+](C)(C)CC([O-])=O +Br[Mg]C1C=CC=CC=1 +O=C1O[Pt]2(NC3CCCCC3N2)OC1=O +CCCCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC +O[Hg]C1C=CC=CC=1 +CCCCCCCC[Sn](SCC(=O)OCC(CCCC)CC)(SCC(=O)OCC(CCCC)CC)SCC(=O)OCC(CCCC)CC +COCC[Hg]OC(C)=O +CCCN(CCOC1C(Cl)=CC(Cl)=CC=1Cl)C(=[O][Mn+2]([Cl-])([Cl-])[O]=C(N1C=NC=C1)N(CCC)CCOC1C(Cl)=CC(Cl)=CC=1Cl)N1C=NC=C1 +C[Sn](C)(F)F +CC[Al](Cl)CC +C[PbH](C)C +C[Sn](C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C +C[Sn](C)(SCCCCCCCCCCCC)SCCCCCCCCCCCC +CC(=O)[CH-]C(C)=[O+][Cr]([O+]=C(C)[CH-]C(C)=O)[O+]=C(C)[CH-]C(C)=O +CCCC[Sn](OC(=O)C(CCCCC)CC)(OC(=O)C(CCCCC)CC)OC(=O)C(CCCCC)CC +CCCCC(COC(=O)C=CC(=O)O[Sn](CCCC)(CCCC)OC(=O)C=CC(=O)OCC(CCCC)CC)CC +CCCCCCCCCCCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCCCCCCCCCCC +C[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C +C[Pb](C)(CC)CC +CC[Pb](C)(C)C +CC(C)C[AlH]CC(C)C +OS(=O)(=O)C1=CC2C=CC(=O)C(=NO[Fe](ON=C3C4C=CC(=CC=4C=CC3=O)S(O)(=O)=O)ON=C3C4C=CC(=CC=4C=CC3=O)S(O)(=O)=O)C=2C=C1 +OCC1OC(S[Au])C(O)C(O)C1O +Cl[Mg]C1C=CC=CC=1 +CCCCCCCC[Sn](=O)CCCCCCCC +CCCC[Sn](CCCC)(CCCC)OC(=O)C=CC(=O)O[Sn](CCCC)(CCCC)CCCC +CC(=O)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OC(C)=O +CCCC[Sn](F)(F)CCCC +CCCCCCCCCCCC[Al](CCCCCCCCCCCC)CCCCCCCCCCCC +CCCCCC[Al](CCCCCC)CCCCCC +CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC +CC(=O)[O-][Hg+2]([OH+]CC[NH-])[C-]1C=CC=CC=1 +CCCC[Sn](CCCC)(SCCCCCCCCCCCC)SCCCCCCCCCCCC +NCC(=O)O[Al](O)O +C1=CC=CC2=C1OC1C=CC=CC=1[As]2O[As]1C2C=CC=CC=2OC2C=CC=CC1=2 +CC[Pb](Cl)(CC)CC +CC[Ge](Cl)(CC)CC +CCCCCCCC[Sn](Cl)(Cl)Cl +CCC[As](O)(O)=O +C[Sn](C)(C)C +CCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC +C[Hg] +CC1C(C=C)=C2C=C3N=C(C=C4C(C)=C(CCC(O)=O)C5=CC6=NC(=CC=1N2[Fe](Cl)N54)C(C)=C6CCC(O)=O)C(C=C)=C3C +CC(C)(C)CCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC +[NH4+].CC(=O)O[Hg][C-]1C=CC=CC=1 +[Ca+2].C[As]([O-])(O)=O.C[As]([O-])(O)=O +[Na+].[Na+].O=C1C[N]23CC(=O)[O-][Ca+2]452([O-]1)[O-]C(=O)C[N]4(CC(=O)[O-]5)CC3 +O.O.O.O.O=C1O[Mg]2(OC(=O)C3=CC=CC=C3O2)OC2=CC=CC=C12 +[Ca+2].C[As]([O-])([O-])=O +[Na+].[Na+].C[As]([O-])([O-])=O +[H+].CC(C)(C)C1=CC(=CC2=C1O[Fe-]1(OC(=O)C3C=C(C=C(C=3O1)C(C)(C)C)C(C)(C)C)OC2=O)C(C)(C)C +[Na+].[Na+].[Na+].[O-][N+](=O)C1C=CCC2=C1C(=CC1O[Cr-3]3(OC4C=CC5CC=CCC=5C=4N=NC2=1)OC1C=CC2CC=CCC=2C=1N=NC1=C(C=C(C2C(C=CCC1=2)[N+]([O-])=O)S(O)(=O)=O)O3)S(O)(=O)=O +N.CC(=O)O[Hg]C1C=CC=CC=1 +[Cl-].[Cl-].C1C=CC=C1[Ti+2]C1CC=CC=1 +CC(=O)O[Pb]OC(C)=O.O[Pb]O.O[Pb]O +O[Al](O)OS(=O)(=O)OC1C(OS(=O)(=O)O[Al](O)O)C(COS(=O)(=O)O[Al](O)O)(OC2OC(COS(=O)(=O)O[Al](O)O)C(OS(=O)(=O)O[Al](O)O)C(OS(=O)(=O)O[Al](O)O)C2OS(=O)(=O)O[Al](O)O)OC1COS(=O)(=O)O[Al](O)O.O[Al](O)[Al](O)O.O[Al](O)[Al](O)O.O[Al](O)[Al](O)O.O[Al](O)[Al](O)O +O.[Na+].[Na+].[O-]C(=O)C(CC([O-])=O)S[Au] +O.O.O.O.O.O.[Na+].[Na+].C[As]([O-])([O-])=O +O.O.O.[Na+].[Na+].C[As]([O-])(O)=O.C[As]([O-])(O)=O +C[Al](C)Cl.C[Al](Cl)Cl +CN1SC(Cl)=CC1=O.CN1SC=CC1=O +[Na+].[Al+3].[O-][Si]([O-])=O.[O-][Si]([O-])=O +O.[Zr+4].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O +Cl[Sm](Cl)Cl +[O-][O+]=O +[O-2].[O-2].[O-2].[Cr+3].[Cr+3] +O.O.O.O.O.O.O.[Mg+2].[O-]S([O-])(=O)=O +[Na+].[O-]P(=O)=O +[Cl-].[Cl-].[Cd+2] +[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])([O-])=O +FN(F)F +O=[Sb]O[Sb]=O +O.O.[Na+].[Na+].[O-][W]([O-])(=O)=O +[Fe+2].[O-]S([O-])(=O)=O +ClNBr +[Na+].[O-]N=O +O.O.[Na+].[O-]B=O +[AlH3].[Mo].[Mo].[Mo] +[K+].[K+].[K+].[K+].[O-]P([O-])(=O)OP([O-])([O-])=O +[K+].[K+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O +OS(O)(=O)=O +[Mg+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O +N +O=[Sm]O[Sm]=O +O=[Mg].O=[Fe]O[Fe]=O +O=[Os](=O)(=O)=O +O.O.O.O.O.O.O=[Zr](Cl)Cl +[Na+].[O-]Cl=O +[Ca+2].[Ca+2].[O-][Si]([O-])([O-])[O-].O=[Ca] +[Li+].[O-]Cl +[K+].[O-][Al]=O +[Na+].[Na+].[O-]B=O.[O-]B=O +[137CsH] +FI(F)(F)(F)F +O.O.O.O.O.O.O.O.O.[Na+].[Na+].[O-][Si]([O-])=O +[K+].[Br-] +[K+].[O-][Si](O)=O +OCl +[Ca+2].[O-][Cr]([O-])(=O)=O +O=O +O=[Cu] +[K]I.II +O.[Na+].[Na+].[O-]P([O-])(O)=O +Cl[Hg][Hg]Cl +[Ca+2].[Ca+2].[Ca+2].[O-][As]([O-])([O-])=O.[O-][As]([O-])([O-])=O +[Li+].[OH-].O +[OH-].[K+].[Zn+2].[Zn+2].[O-][Cr]([O-])(=O)=O.[O-][Cr]([O-])(=O)=O +[Pb] |^3:0| +FF +[Ni] +[PbH2+2].[PbH2+2].[O-]S([O-])(=O)=O.[O-][Cr]([O-])(=O)=O +O[Al](O)O +S=[As][As]=S +S=[Se]=S +S=[Hg] +O[As](O)(=O)O[As](O)(O)=O +O=[Ag] +[Na+].[O-]B=O +O[As](O)(O)=O +O1[Ag]O[Ag]1 +[NH4+].[O-]P(O)=O +[K+].[O-]S(=O)(=O)OO +[NH4+].[F-].F +[Ag+].[O-][N+]([O-])=O +[InH3] +[K+].[K+].[K+].[O-]P([O-])([O-])=O +O.O.O.O.O.O.[La+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O +O.[O-][V+3].[O-]S([O-])(=O)=O +O1O[Ca]1 +O=[Ca] +Cl[Pb]Cl +[Cr] +O.O.O.O.O.O.Cl[La](Cl)Cl +[Na+].[O-][Se](O)(=O)=O +[NH4+].[NH4+].[NH4+].[O-]P([O-])([O-])=O +[Zn+2].[O-][Si]([O-])=O +[Sr+2] +[NH4+].[Cl-] +[NH4+].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O +O.O.O.O.O.O.O.[Na+].[Na+].[O-][As]([O-])(O)=O +[Na+].[O-][As]=O +OCl(=O)=O +[NH4+].[NH4+].[O-]S(=O)(=O)[S-] +Cl[Ga](Cl)Cl +[Na+].[Na+].[O-]B(OB([O-])OB=O)OB=O +[NH4+].[O-]P(O)(O)=O +F +ClP(Cl)Cl +[NH4+].[F-] +S=P12SP3(=S)SP(=S)(S1)SP(=S)(S2)S3 +[V] +[K+].[K+].[O-]S(=O)S([O-])(=O)=O +[Na+].[Na+].[O-]S(=O)(=O)OOS([O-])(=O)=O +O.O.O.O.O.[Cu+2].[O-]S([O-])(=O)=O +[Cl-].[Cl-].[Hg+2] +[B] +[Zn+2].[O-]S([O-])(=O)=O +O.[Na+].[O-]P(O)(O)=O +[O-][N+](=O)[Sm]([N+]([O-])=O)[N+]([O-])=O +O.Cl[Ce](Cl)Cl +BrNBr +[Ba+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O +[Na+].[Na+].[O-]S([O-])=O +[PbH2+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O +S +[K+].[K+].[K+].[O-]B([O-])[O-] +[Cu+2].F[Si-2](F)(F)(F)(F)F +O.[Mg+2].[O-]S([O-])(=O)=O +[Na+].[Zr+4].[Ag+].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O +[NH4+].[NH4+].[O-]S([O-])(=O)=O +[AlH3].[AlH3].[Er] +O.O.O.O.O.O.O.[Zn+2].[O-]S([O-])(=O)=O +[K+].[O-]P=O +OP(O)=O +[Na+].[Na+].[O-][As]([O-])(O)=O +I[Au] +O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O +O.O.O=[Si](O[Si](=O)O[Al]=O)O[Al]=O +[PbH2+2].[O-]P([O-])=O.O=[Pb].O=[Pb] +[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O +[Na+].[Al+3].[Al+3].[Al+3].[O-]P([O-])(O)=O.[O-]P([O-])(O)=O.[O-]P(O)(O)=O.[O-]P(O)(O)=O.[O-]P(O)(O)=O.[O-]P(O)(O)=O.[O-]P(O)(O)=O.[O-]P(O)(O)=O +O[Cr](O)(=O)=O +O.O.O.O.O.O.[Co+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O +O=[Mg] +BrBr +[O-][N+](O)=O +[Na+].[O-]S(O)=O +F[Co](F)F +O.[Cl-].[Cl-].[Mn+2] +[Pb+4].[O-][Si]([O-])=O.[O-][Cr]([O-])(=O)=O +[Ni+2].[O-]S([O-])(=O)=O +[Fe+2] +[OH-].[Na+] +[NH4+].[NH4+].[O-]B1OB2OB([O-])OB(O1)O2 +[Al+3].[K+].[O-][Si]([O-])=O.[O-][Si]([O-])=O +O.O.O.[Cu+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O +[OH-].[OH-].[Ca+2] +O.O.O.O.O.[Na+].[Na+].[O-]S([O-])(=O)=S +O.O.O.O.[Na+].[O-][B](=O)=O +[Na+].[Na+].[O-]P([O-])(O)=O +[Na+].[O-]S(O)(=O)=O +O.O.[Ca+2].[O-]S([O-])(=O)=O +[Na]SS[Na] +O=[Cr]O[Cr]=O +[Br-] +ClP(Cl)(Cl)(Cl)Cl +[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]Cl.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O +[AlH3].[Ni] +Cl[Au] +[Cl-] +[OH-].[OH-].[Fe+2].[Cu+2].[O-]S([O-])(=O)=O +N#N +O.O.O.O.[K+].[K+].[O-]B([O-])OB1OB(OB=O)O1 +[Na+].[Na+].[Na+].[O-][V]([O-])([O-])=O.OO.OO.OO +O=[Pb]=O +[Mn+2].[O-]P=O.[O-]P=O +O=[Ni] +[Na+].[Na+].[O-][W]([O-])(=O)=O +[Cl-].[Cl-].[Sr+2] +O.O.O.O.O.O.[Ni+2].[O-]S([O-])(=O)=O +O[AsH](O)=O +[Br-].BrBr +[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)(OP([O-])([O-])=O)OP([O-])([O-])=O +[Ba+2].[O-]B=O.[O-]B=O +[AlH3].[AlH3].[AlH3].[Ti] +[Na+].[Cl-] +[NH4+].[O-]S(O)=O +[S] |^3:0| +[Cu+2].[O-][AsH]([O-])=O +O=[Mn] +O.O.[Na+].[Na+].[O-]P([O-])(O)=O +[K+].[O-][As](O)(O)=O +[OH-].[OH-].[Zn+2] +[Na+].[O-][Si](O)=O +[Cl-].[Cs+] +[Hg+].[O-][N+]([O-])=O +O=Cl[O] |^1:2| +NN.OS(O)(=O)=O +I[Ca]I +O=[Bi]O[Bi]=O +O=[Tl]O[Tl]=O +Cl[Te](Cl)(Cl)Cl +[PbH2+2].[O-]S([O-])(=O)=O.O=[Pb] +O1O[Zn]1 +O.O.O.O.O.O.Cl[Dy](Cl)Cl +[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3] +OS(=O)(=O)F +II +[Al+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O +S=[As](=S)S[As](=S)=S +[NH4+].NS([O-])(=O)=O +[PbH2+2].[O-][As]([O-])(O)=O +[Hg] +O[Fe]=O +[Mn+2].[O-]S([O-])(=O)=O +OCl(=O)(=O)=O +[Na+].[O-][V](=O)=O +Cl[La](Cl)Cl +O.O.O.O.O.O.[Zn+2].[O-]S([O-])(=O)=O +ClSSCl +ClN(Cl)Cl +O.[Mn+2].[O-]S([O-])(=O)=O +[Fe+3].[O-]P([O-])([O-])=O +[Na+].F[B-](F)(F)F +NP(N)(O)=O +O.O.Cl[Sn]Cl +[H+].F[B-](F)(F)F +[Na+].[Na+].[Na+].[O-][V]([O-])([O-])=O +[O-][N+]([O-])=O +[Fe+3].[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O +O=S(=O)=O +O[Zr]Cl +[Mn+2].[O-][As]([O-])(O)=O +NBr +[K+].[K+].[K+].[K+].[O-][Sb]([O-])(=O)O[Sb]([O-])([O-])=O +[Na+].[Na+].[Na+].[O-][As]([O-])([O-])=O +[Cl-].[Cl-].[Fe+2] +O.[Cu+2].[O-]S([O-])(=O)=O +[NH4+].[O-]Cl(=O)(=O)=O +[O-2].[O-2].[O-2].[Y+3].[Gd+3] +O.O.O.O.O.O.[Al+3].[Cl-].[Cl-].[Cl-] +[Na+].[Al+3].[O-][Si]([O-])([O-])[O-] +O=[Pb] +[Na+].[Na+].[O-]S([O-])(=O)=O +[Ca+2].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O +ClBr +[F-] +F[Si-2](F)(F)(F)(F)F +OS(=O)(=O)Cl +[NH4+].[O-][AsH](O)=O +I +[AsH3] +[K+].[O-][As]=O +I[Zn]I +OI +O=[Fe] +O.O.[Ca+2].[O-][Cr]([O-])(=O)=O +FS(F)(F)(F)(F)F +[Na]S +[Na+] +[PbH2+2].[O-]S([O-])(=O)=O.O=[Pb].O=[Pb].O=[Pb] +O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)(OP([O-])([O-])=O)OP([O-])([O-])=O +[OH-].[AlH3].[Cl-].[O-]S([O-])(=O)=O +O.O.O.O.O.[Na+].[Na+].[O-][Si]([O-])=O +O.[Zn+2].[O-]S([O-])(=O)=O +[Cu+].[Se-2].[Se-2].[In+3] +Cl.NO +[K+].F[B-](F)(F)F +F[Ce](F)F +[O-][N+](=O)N=O +[Na+].[Na+].[Na+].[O-]P1(=O)OP([O-])(=O)OP([O-])(=O)O1 +[Na+].[N-]=[N+]=[N-] +[NH4+].[O-][N+]([O-])=O +[Na+].[Al+3].[K+].[O-][Si](O)=O.[O-][Si]([O-])=O.[O-][Si]([O-])=O +O=[W](=O)=O +O[Al](O)O.O[Al](O)Cl +[Na+].[Na+].[Na+].[F-][Al+3]([F-])([F-])([F-])([F-])[F-] +Cl[Ti]Cl +[K+].[O-]Cl +[Cu]O[Cu] +[Zr] +[K+].[K+].[O-]P([O-])O +[Tl+].[Tl+].[O-][Se]([O-])=O +[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-]S([O-])(=O)=O +O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Cl-].[Cd+2].[Cd+2] +S1[Sb]2S[Sb]3S[Sb]1S[Sb](S2)S3 +O=[Mo]=O +S=[Se] +O.O.O.O.O.O.O.O.O=[Zr](Cl)Cl +[Zn+2].[O-][Cr]([O-])(=O)=O +O.[Fe+2].[O-]S([O-])(=O)=O +[Mo] +O.O.O.O.O.[Na+].[Na+].[O-]B1OB2OB([O-])OB(O1)O2 +[Mn] +[Al+3].[K+].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O +[O-]S([O-])(=O)=O.O=[V+2] +[K+].[O-][Mn](=O)(=O)=O +O.O.Cl[Cd]Cl +[Na+].[O-][N+]([O-])=O +[F-].[K+] +[Rh] +[NH4+].[NH4+].[O-]S([O-])=O +O=[Sb](=O)O[Sb](=O)=O +[Na+].[O-][Mn](=O)(=O)=O +[NH4+].[O-]S(O)(=O)=O +O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[O-]P([O-])([O-])=O +[K+].[O-]P(O)(O)=O +[O-]S([O-])(=O)=O +NN +[Na+].[O-]S(=O)(=O)NBr +[Ca+2].[Ca+2].[Ca+2].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O +[Na+].[Na+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O +[K+].[K+].[O-]S(=O)(=O)SSS([O-])(=O)=O +[O-][N+](=O)O[U](=O)(=O)O[N+]([O-])=O +[Pm] +[Cl-].[K+] +[I-].[I-].[Hg+2] +O +[O-]N=O +[Cd] +O=[V](=O)O[V](=O)=O +O=[Ga]O[Ga]=O +O.O.O.O.O.O.O.[Ni+2].[O-]S([O-])(=O)=O +O=S(=O)(Cl)Cl +[Na+].[O-]OB=O +[K]O[K] +[Ca+2].[Ca+2].[O-][Al]([O-])O[Al]([O-])[O-] +O=[Zr](Cl)Cl +[F-].[F-].[F-].[Al+3] +[NH4+] +[Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O +O1O[Ba]1 +O=[Hg] +[K+].[I-] +[Se] |^3:0| +[Cl-].[Cl-].[Cl-].[Yb+3] +[Cu]Br +[Cl-].[Hg+] +OOB=O diff -r 000000000000 -r 72b687d21f65 test-data/input_all_table.smi --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/input_all_table.smi Tue Mar 22 16:06:54 2022 +0000 @@ -0,0 +1,1000 @@ +1 CC1=CC(=CC=C1SC)OP(=O)(NC(C)C)OCC +2 CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1 +3 CC(C)CC(O)CC(C)C +4 CC(C)=CCCC(C)=CCO +5 CCC(CNC1N=C(NC2C=CC(=CC=2)C2=NC3C=C(C=CC=3O2)C(C)(C)CC)N=C(NC2C=CC(=CC=2)C2=NC3C=C(C=CC=3O2)C(C)(C)CC)N=1)CCCC +6 CC1C=CC2=C(N=1)N(CC)C=C(C(O)=O)C2=O +7 CC(C)NC1=NC(Cl)=NC(NC(C)C)=N1 +8 OC1C=CC(=CC=1)C(O)=O +9 OC1=CC=CC2=CC=CC=C21 +10 OCCCl +11 NC1C=CC(=CC=1)NC1C=CC=CC=1 +12 OCC(Cl)CCl +13 CC1=CN=C(CC)C=N1 +14 CCOC(=O)C1C=CC(=CC=1)N1C(=O)C2=CC=C3C4=C2C(=CC=C4C(=O)N(C2C=CC(=CC=2)C(=O)OCC)C3=O)C1=O +15 NC(CO)(CO)CO +16 [Na+].CC1=CC(N=NC2C=CC(=CC=2)S([O-])(=O)=O)=C(N)C=C1N +17 Cl.Cl.COC(=O)C1C(C(C(=O)OCCN2CCN(CC2)C(C2C=CC=CC=2)C2C=CC=CC=2)=C(C)NC=1C)C1C=C(C=CC=1)[N+]([O-])=O +18 [Cu+2].[Cu+2].[Cu+2].[O-]C(=O)CC(O)(CC([O-])=O)C([O-])=O.[O-]C(=O)CC(O)(CC([O-])=O)C([O-])=O +19 CC(C)C1=CC(=C(C(=C1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O +20 CCC=CCCO +21 [Ca+2].[O-]C(=O)C(O)C(O)C(O)C(O)CO.[O-]C(=O)C(O)C(O)C(O)C(O)CO +22 O=C(C=CC=CC1=CC2OCOC=2C=C1)N1CCCCC1 +23 [Cr].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+] +24 COC1(C)CC(OC2C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC3OC(C)CC(C3O)N(C)C)C2C)OC(C)C1O.CCCCCCCCCCCCCCCCCC(O)=O +25 CC1C=CC=CC=1O +26 CCOC(=O)C1CCC(CC1)C(=O)OCC +27 [Na+].O=C[CH-]C=O +28 [Ce+3].[Ce+3].[O-]C([O-])=O.[O-]C([O-])=O.[O-]C([O-])=O +29 [Na+].[Zr+4].CC(O)C([O-])=O.CC(O)C([O-])=O.CC(O)C([O-])=O.CC(O)C([O-])=O.CC(O)C([O-])=O +30 O=C1NSC2C=CC=CC=21 +31 OC1C=CC2C=CC=CC=2C=1N=NC1C=CC=CC=1 +32 O.O.[Na+].[Na+].[Cu+2].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O +33 CC=CC1=CC=C(C=C1)OC +34 CC(C)(C)C(O)C(CC1=CC=C(Cl)C=C1)N1C=NC=N1 +35 CSCC(C=O)=CC1C=CC=CC=1 +36 CCCOC(=O)C1C=NC(=CC=1)C(=O)OCCC +37 CC1(C)CC2C1CCC1(C)OC1CCC2=C +38 OC1=CC=C(Cl)C=C1CC1C=CC=CC=1 +39 CC(C)(O)C=C +40 ClC1(Cl)C2(Cl)C3C=CC(Cl)C3C1(Cl)C(Cl)=C2Cl +41 CC(=O)OCC=C +42 CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +43 [Ca+2].[N-2]C#N +44 Cl.OCCNC1=CC2OCOC=2C=C1 +45 OCCOCCOCCO +46 [Na+].[O-]C1C(OC(=O)C=1O)C(O)CO +47 CC(C)C1CCC(C)CC1C(=O)NCC(=O)OCC +48 NCCC1=CC=C(O)C=C1 +49 CC1=CCC(CC1=O)C(C)=C +50 S=C1NCCN1 +51 COC(=O)OC1CCCC=CCC1 +52 CC1C=C(N)C(C)=CC=1C +53 CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC21C +54 COP(=O)(NC)OC1C=CC(=CC=1Cl)C(C)(C)C +55 CC1=CC2C=CC=NC=2C=C1 +56 [Na+].[O-]S(=O)(=O)C1=CC2C=CC(O)=C(N=NC3C=CC=CC=3)C=2C=C1 +57 ClC(Cl)C(Cl)(Cl)Cl +58 OC(=O)C1C(C2CCC1O2)C(O)=O +59 CC(CC1C=CC(=CC=1)C(C)(C)C)CN1CC(C)OC(C)C1 +60 CC(C)CCCC(C)(C)O +61 [Na+].[Na+].[Na+].[Na+].[O-]C([O-])=O.[O-]C([O-])=O.OO.OO.OO +62 ClC1(Cl)C2(Cl)C3CC(Cl)C(Cl)C3C1(Cl)C(Cl)=C2Cl +63 CCCCCC1=CC=CC(=O)O1 +64 [O-][N+](=O)C1=CC=C(C=NN2CC(=O)NC2=O)O1 +65 BrC1C(Br)=C(Br)C(Br)=C(Br)C=1Br +66 [Na+].CCC([O-])=O +67 [Cr+3].[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1 +68 NC(=O)CCC(N)C(O)=O +69 CC1C=C(C=C(C)C=1N(C)C)OC(=O)NC +70 CCOC(=O)C(C)C +71 CC(C)C1=CC=C(CC(C)C=O)C=C1 +72 CC(C)C12CC1C(C)C(=O)C2 +73 CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +74 CCCC(=O)OCCC(C)C +75 [Cl-].COC1=CC(N=NC2=CC(=CC=C2)[N+](C)(C)C)=C(C=C1N)OC +76 CN1CCCC1=O +77 CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +78 [Na+].[Na+].CC[N+](CC1=CC(=CC=C1)S([O-])(=O)=O)=C1C=CC(C=C1)=C(C1C=CC(O)=CC=1S([O-])(=O)=O)C1C=CC(=CC=1)N(CC1=CC(=CC=C1)S([O-])(=O)=O)CC +79 ClC1C=CC=CC=1C1N=NC(=NN=1)C1C=CC=CC=1Cl +80 CCC1C=CC=C(O)C=1 +81 CC(NC)C(O)C1C=CC=CC=1.CC(NC)C(O)C1C=CC=CC=1.OS(O)(=O)=O +82 CC(=O)OC1CCCCC1C(C)(C)C +83 [Na+].[Na+].CC1C=C(N=NC2=C(O)C=CC3C=C(C=CC=32)S([O-])(=O)=O)C(=CC=1S([O-])(=O)=O)OC +84 COC(=O)OCC +85 CCOP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)C1C=CC=CC=1 +86 COC1C=CC(=CC=1N)NCCO +87 CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CCO +88 NCCO.[O-][N+](=O)C1=CC(Cl)=C(C=C1)NC(=O)C1C=C(Cl)C=CC=1O +89 CC=CC1=CC=C(C=C1)OC +90 CCSC(=O)N1CCCCCC1 +91 CC(C)CCCC(C)CC#N +92 NC1C=CC(=CC=1)N=NC1C=CC(=CC=1)N(CCO)CCO +93 CC1CC2C(C(=O)O1)=C(O)C(=CC=2Cl)C(=O)NC(CC1C=CC=CC=1)C(O)=O +94 CC(CO)C1C=CC=CC=1 +95 CN(C)C(=O)NC1=CC(=CC=C1)C(F)(F)F +96 CC(C)N(C(=O)CCl)C1C=CC=CC=1 +97 Cl.NC1C=CC(=CC=1[N+]([O-])=O)N(CCO)CCO +98 CCSC(=O)N(CC(C)C)CC(C)C +99 O.[Zn+2].[O-]C([O-])=O +100 OCC(=O)CO +101 [Al+3].CC[O-].CC[O-].CC[O-] +102 [Al+3].CC(O)C([O-])=O.CC(O)C([O-])=O.CC(O)C([O-])=O +103 [Cu+2].NCCN.NCCN +104 CC(N)=O +105 CNCC(O)C(O)C(O)C(O)CO.O[Sb](=O)=O +106 CC(C)(C)C1=CC(CCC(=O)NNC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C +107 Cl.NC(CCC(O)=O)C(O)=O +108 CO +109 CC(Cl)CCl +110 CCCCCCCCOC(C)=O +111 CC(COC(=O)C1C=CC=CC=1)OC(=O)C1C=CC=CC=1 +112 CC(=CC1C(C)=CCCC1(C)C)C(C)=O +113 CCNC1=CC(=CC(Cl)=C1O)[N+]([O-])=O +114 COC(=O)NS(=O)(=O)C1C=CC(N)=CC=1 +115 O.O.O.O.O.[Ca+2].CC(O)C([O-])=O.CC(O)C([O-])=O +116 CC=C(C)C1CCC(C)(C)O1 +117 N#CC1=CC(Br)=C(O)C(Br)=C1 +118 C=C(Cl)Cl +119 CCCC1=CC2OCOC=2C=C1 +120 CCCCCC(C=O)=CC1C=CC=CC=1 +121 CC(=O)OC(C)(C)C +122 COC(=O)NC1NC2C=CC=CC=2N=1 +123 CC1(C=C)OC(=O)N(C2C=C(Cl)C=C(Cl)C=2)C1=O +124 CN1C2N=CN(C)C=2C(=O)NC1=O +125 CCOC(=O)C(C)C=C=C +126 CC1=CC(=CC=C1N=NC1C=CC(=CC=1)[N+]([O-])=O)N(CCO)CCO +127 COP(=S)(OC)SCN1N=NC2C=CC=CC=2C1=O +128 NC1C(Cl)=C(N=C(Cl)C=1Cl)C(O)=O +129 CC1C=CC=C(CC)C=1N(C(C)COC)C(=O)CCl +130 CC1C2=CC=CC=C2OC=1C(C)=O +131 CC1C=NC=CC=1 +132 COP(=O)(OC(=CCl)C1=CC(Cl)=C(Cl)C=C1Cl)OC +133 CC(C)=CC1C(C(=O)OCN2C(=O)C3CCCCC=3C2=O)C1(C)C +134 OC1C=CC=CC=1 +135 CCCCCC(=O)OCC=C +136 [Ca+2].O=S1(=O)[N-]C(=O)C2=CC=CC=C12.O=S1(=O)[N-]C(=O)C2=CC=CC=C12 +137 C=CC1(CC=CCC1)C=O +138 CN1C=C(C(=O)C(=C1)C1C=CC=CC=1)C1=CC(=CC=C1)C(F)(F)F +139 OC1=CC(O)=C(Cl)C=C1 +140 O.O.O.[Ce+3].[Ce+3].CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O +141 CC(=O)C(C)C(=C)C(C)C(C)(C)C +142 C=CCCCCCCCCC(O)=O +143 OC(C(=O)C1C=CC=CC=1)C1C=CC=CC=1 +144 CC1C(C)(C)C2CCC3CC(C)(C)OC3C2C1(C)C +145 CCCCC(COC(=O)C1C=CC=CC=1C(=O)OCC(CCCC)CC)CC +146 ClC(Br)Br +147 CC(C)O +148 CCCCCCCCCCCCCC(=O)OC +149 ClCCl +150 C=C(C1CCCCC1)C(=O)CCC=C +151 [Cu+2].[Cu+2].[Cu+2].[Cu+2].CC([O-])=O.CC([O-])=O.[O-][As]=O.[O-][As]=O.[O-][As]=O.[O-][As]=O.[O-][As]=O.[O-][As]=O +152 [K+].[K+].[K+].[Fe+3].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N +153 CC1(C)C(=O)N(CO)C(=O)N1CO +154 CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O +155 C1=CC=CC=N1 +156 OC(CO)CO +157 Cl.Cl.NC1=CC(CC2C=C(N)C=CC=2O)=C(O)C=C1 +158 CCOC(=O)C(CC(=O)OCC)SP(=O)(OC)OC +159 CC1CC(=O)CCCCCCCCCCCC1 +160 O=CC1=CC=CO1 +161 CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C +162 CNC(=O)ON=CC(C)(C)SC +163 NC1=CC(=C(N)C=C1)[N+]([O-])=O +164 [Na+].[O-]S(=O)(=O)NC1CCCCC1 +165 CC(=O)CCC1C=CC=CC=1 +166 CCP(=S)(OCC)SC1C=CC=CC=1 +167 COC1C=CC(CC=C)=CC=1OC +168 COCN(C(=O)CCl)C1C(CC)=CC=CC=1CC +169 C1=C(C=CC2C=CC=CC=21)NC1C=CC=CC=1 +170 [Fe+2].[O-]C(=O)C(O)C(O)C(O)C(O)C(O)CO.[O-]C(=O)C(O)C(O)C(O)C(O)C(O)CO +171 OC1C2OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(OC(OC2CO)C1O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O +172 [Ca+2].[O-]C(=O)C1C=CC=CC=1.[O-]C(=O)C1C=CC=CC=1 +173 [Na+].[O-]C(=O)CF +174 CCCCOC(C)=O +175 CCOC(=O)C1C=CC=CC=1C(=O)OCC +176 OC1C=CC(Cl)=CC=1Cl +177 C1COCCN1 +178 SC1=CC2C=CC=CC=2C=C1 +179 [Na+].[Na+].NC1C=C(C=C2C=C(C(N=NC3C=CC=CC=3)=C(O)C2=1)S([O-])(=O)=O)S([O-])(=O)=O +180 CCC12CC3CC1C2C3OC +181 CCCC1=CC=C(C=C1)OC +182 CC(Cl)(Cl)Cl +183 CC(C)OC(=O)C(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1 +184 ClCCCl +185 CC(O)=O +186 CC(C)(Cl)OC(C)(C)Cl +187 O=C(OC(COC(=O)C1C=CC=CC=1)COC(=O)C1C=CC=CC=1)C1C=CC=CC=1 +188 CCN(CC)C(=S)SSC(=S)N(CC)CC +189 C=CC(N)=O +190 CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC +191 CC(C)(CC)C1CCC(CC1)OCC +192 CCOC(=O)CC1(C)OCCO1 +193 CC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O +194 CCCCCCC(C=O)=CC1C=CC=CC=1 +195 Cl.CC1N=CC(CO)=C(CO)C=1O +196 CC1CCC(CC=1)C(C)(C)OC(C)=O +197 CC(C)C1CCC(C)CC1=O +198 CC(C)(O)CCCC1CCC(CC=1)C=O +199 Cl.NC1=C(Cl)C(O)=CC=C1Cl +200 Cl.COC1C=CC2N=CC=C(C(O)C3CC4CCN3CC4C=C)C=2C=1 +201 CC(C)(C#N)OC1OC(CO)C(O)C(O)C1O +202 CC(=O)C1C=CC=CN=1 +203 [Ca+2].[O-]C=O.[O-]C=O +204 [Cl-].C[N+](C)(C)C1=CC2C(N=NC3C=CC=CC=3OC)=C(O)C=CC=2C=C1 +205 CC1C=C(C=CC=1)N(CC)C(=O)CC +206 CBr +207 C=CC#N +208 [O-][N+](=O)C1C=C(C=CC=1NCCO)OCC(O)CO +209 CC1(C)C2CCC1(C)C(=O)C2=CC1C=CC=CC=1 +210 OCCOCCO +211 OC1C=CC=CC=1C(O)=O +212 CC=O +213 O=C1CCCCCN1 +214 CC(C)OC(=O)NC1C=CC=CC=1 +215 CC(C)CCO +216 COP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC +217 C1=CC=CC2NN=NC=21 +218 COC(=O)NC1NC2=CC(=CC=C2N=1)SC1C=CC=CC=1 +219 CCCCCCCCC(O)=O +220 CC(=O)NC1=CC(N)=C(C=C1)OCC +221 C=CCCCCCCCCC=O +222 O=C(OCC1C=CC=CC=1)C1C=CC=CC=1 +223 C1OC1C1C=CC=CC=1 +224 CN(C)C1C=CC=CC=1 +225 NC1C=C(O)C=CC=1 +226 CCC1CCC(=O)C=1O +227 [Na+].[O-]C(=O)CNCO +228 [Na+].NC1C=C(C=C(C=1[O-])[N+]([O-])=O)[N+]([O-])=O +229 CC1CC(=O)OC1CCCCCC +230 [Cd+2].CC([O-])=O.CC([O-])=O +231 OC1=CC(O)=CC=C1 +232 [O-][N+](=O)C1=CC(O)=CC=C1NCCCO +233 CC(C)(C)C(=O)C(OC1C=CC(Cl)=CC=1)N1C=NC=N1 +234 CC1=CC(C)=C(C=C1)C(C)=O +235 CC1=CC=C(C=C1)C=C +236 CC1N=CSC=1CCO +237 [Na+].[Na+].CC1=CC(=C(C=C1)NC1=CC=C(NC2=CC=C(C)C=C2S([O-])(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S([O-])(=O)=O +238 COC(=O)OC +239 CC(C)C12CC1C(C)C(=O)C2 +240 CC(C)=CC=O +241 [O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O +242 CC(CO)C1CCC(C)(C)C23CC(CC2)C(C)(C)C3=1 +243 CNC1C=CC(=CC=1[N+]([O-])=O)N(CCO)CCO +244 CCCCCCCOC(=O)C1C=CC(O)=CC=1 +245 [Cl-].C[N+](C)(C)C1C=C2C(N=NC3=CC(=C(N)C=C3)[N+]([O-])=O)=C(O)C=CC2=CC=1 +246 O.O.O.CC(N)(CC1=CC(O)=C(O)C=C1)C(O)=O.CC(N)(CC1=CC(O)=C(O)C=C1)C(O)=O +247 CCCCCCC(O)=O +248 [Ca+2].CC(O)C([O-])=O.CC(O)C([O-])=O +249 COC(N)=O +250 [K+].CC=CC=CC([O-])=O +251 [Ba+2].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O +252 C1N2CN3CN1CN(C2)C3 +253 CC1C2=CC=C(C=C2OC(=O)C=1Cl)OP(=S)(OCC)OCC +254 CC(CC1CC(O)=C(C(=O)C1)C(CCC)=NOCC)SCC +255 COC(=O)C1C=CC=CC=1O +256 NC1C=CC(O)=CC=1[N+]([O-])=O +257 [Br-].[Br-].C1C[N+]2=CC=CC=C2C2C=CC=C[N+]=21 +258 OC1OCC=C2OC(=O)C=C21 +259 CCCC1COC(CN2C=NC=N2)(O1)C1=CC=C(Cl)C=C1Cl +260 CC1(C)C2CCC(C)C32CC1C(C)(O)CC3 +261 COC(=O)C1C=CC=CC=1N +262 CC1=CC(CCCOP2OC3C(=CC(=CC=3C3=CC(=CC(=C3O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C +263 CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O +264 COP(=O)OC +265 C(C1=CC=CO1)N1C=CC=C1 +266 CNC1C=CC=CC=1C(=O)OC +267 CCCCCC(=O)OCC +268 O.[K+].[K+].[K+].[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O +269 [Mn+2].[Mn+2].[Mn+2].[O-]C(=O)CC(O)(CC([O-])=O)C([O-])=O.[O-]C(=O)CC(O)(CC([O-])=O)C([O-])=O +270 OC1C=C2C=C(O)C=CC2=CC=1 +271 CC(CCO)CCC=C(C)C +272 CCCCOC(=O)C1C=CC=CC=1C(=O)OCC1C=CC=CC=1 +273 CCCCC(C)O +274 CCCCNC(=O)OCC#CI +275 CC(=NOC(=O)NC)SC +276 NC1=CC(N)=C(C=C1)OCCCOC1C=CC(N)=CC=1N +277 CP(=O)(OC)OC +278 CC1COC(=O)O1 +279 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C(C)=C(C)C(OC(C)=O)=C2C +280 CC1C=C(O)C=CC=1C +281 C=CC(=O)NCO +282 [Na+].[Na+].[Na+].[O-]S(=O)(=O)C1=CC2C=C(C=CC=2C(N=NC2=CC=C(C3C=CC=CC=32)S([O-])(=O)=O)=C1O)S([O-])(=O)=O +283 [Na+].[Na+].[Na+].[Na+].[Zr+4].CC([O-])C([O-])=O.CC([O-])C([O-])=O.CC([O-])C([O-])=O.CC([O-])C([O-])=O +284 CC1C=CC=C(C)C=1O +285 CC1CCC(CC=1)C(C)=C +286 OC(=O)CBr +287 CC1(C)C(C)C(C)(C)C2C=C3COCC(C)C3=CC1=2 +288 ClC1C=CC(Cl)=CC=1 +289 CC(C)C1CCC(C)CC1O +290 [Co+2].CCCCCCCCC=CCCCCCCCC([O-])=O.CCCCCCCCC=CCCCCCCCC([O-])=O +291 NC(CS)C(O)=O +292 [Mg+2].[O-]C(=O)C1C=CC=CC=1.[O-]C(=O)C1C=CC=CC=1 +293 CC(OC(C)(C)CC)C(=O)OCCC +294 CC1C=C(O)C=C(C)C=1Cl +295 C1C(N=C2SCCN21)C1C=CC=CC=1 +296 CN(C=NC1=CC=C(C)C=C1C)C=NC1=CC=C(C)C=C1C +297 CC1CC=CCCCCCCCCCC(=O)C1 +298 CC1(C)C(C1C=C(Cl)C(F)(F)F)C(=O)OCC1C=CC=C(C2C=CC=CC=2)C=1C +299 CC(O)CCO +300 [Cr+3].[O-][N+]([O-])=O.[O-]C(=O)C=CC([O-])=O +301 COC1C2OC=CC=2C=C2C=CC(=O)OC2=1 +302 OC(=O)COC1C=CC(Cl)=CC=1Cl +303 CCCCCCCCCCCCCCCC(=O)OC +304 [Cl-].C[N+]12CN3CN(C1)CN(C2)C3 +305 C1=CNC2=CC=CC=C21 +306 CC(C)(C)C1C=CC(=CC=1)C(O)=O +307 CCCCCCCCC=CCCCCCCCC(=O)OCC +308 CCCCCC=CC=CC=O +309 [Ba+2].[C-]#N.[C-]#N +310 CC(C)(C)C1=CC=C(C=C1)OC1CCCCC1OS(=O)OCC#C +311 CC1=CC2=CC=CC=C2C=C1 +312 NC1CCCCC1 +313 [Mg+2].CC([O-])=O.CC([O-])=O +314 NC(=N)NCCCC(N)C(O)=O +315 CCCCCCCCCCCCO +316 [Na+].[O-]C(=O)C1C=C(C=CC=1[N+]([O-])=O)OC1C=CC(=CC=1Cl)C(F)(F)F +317 [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C +318 CCCCOC(=O)C1C=CC=CC=1C(=O)OCCCC +319 [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C(N=NC2C=C(C3C=CC=CC=3C=2O)S([O-])(=O)=O)C2C=CC=CC=21 +320 [Na+].[O-]C1C(OC(=O)C=1O)C(O)CO +321 OC(=O)C(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1 +322 CNC(=O)CSP(=S)(OC)OC +323 CN(C)NC(=O)CCC(O)=O +324 ClC1=CC=CC=C1NC1N=C(Cl)N=C(Cl)N=1 +325 [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 +326 NC(N)=O.NC(N)=O.OS(O)(=O)=O +327 CC(C)C(=O)OCC(C)C +328 [NH4+].CC1(C)C2CCC3(C)C(C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C([O-])=O)C2(C)CCC1OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O +329 Cl.CN(C)C(C)CN1C2=CC=CC=C2SC2C=CC=CC1=2 +330 NC(CO)C(O)=O +331 OCC(O)C(O)C(O)C(O)C=O +332 [Ba+2].CC([O-])=O.CC([O-])=O +333 CC(=O)OCCC1C=CC=CC=1 +334 OC1C=CC(O)=CC=1 +335 OCC(O)=O +336 CC1C=CC(C)=C(O)C=1C +337 [Cl-].CC1=NN(C(=O)C1N=NC1=CC(=CC=C1)[N+](C)(C)C)C1C=CC=CC=1 +338 C=CCCCCCCCC=CCC#N +339 CCOC(=O)C1C=COC=1C1C=CC=CC=1 +340 CC(C)C(O)(C1C=NC=NC=1)C1C=CC(=CC=1)OC(F)(F)F +341 CC(C)CC(O)=O +342 ClC1C=CC=CC=1 +343 CC(=O)OC1CCC(CC1)C(C)(C)C +344 C1CC2=CC=CC3=CC=CC1=C23 +345 NC1=CC=C(C=C1)N(CCO)CCO.OS(O)(=O)=O +346 [Ni+2].CC([O-])=O.CC([O-])=O +347 [Na+].CC(O)=O.CC([O-])=O +348 CCOC(=O)CCCCCCCCC(=O)OCC +349 CCSCCSP(=S)(OCC)OCC +350 CC1=CCC(CC=C(CO)CC)C1(C)C +351 O.O.O.[K+].[K+].[O-]C([O-])=O +352 CC(=C)C(=O)OCCCC +353 ClC(Cl)(Cl)C(Cl)(Cl)Cl +354 CC(C)CCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCC(C)C +355 [Cl-].[Cl-].C[N+]1C=CC(=CC=1)C1C=C[N+](C)=CC=1 +356 CC1C=CC(=CC=1)OC +357 CC1=CC=CC(=C1N)[N+]([O-])=O +358 CC1CC=CC=CC=CC=CC(CC2OC(O)(CC(O)C2C(O)=O)CC(O)CC2OC2C=CC(=O)O1)OC1OC(C)C(O)C(N)C1O +359 COC(=O)C1C=CC(O)=CC=1 +360 CCCCCCCCCCCCCCC1C(=O)OC1=CCCCCCCCCCCCCCC +361 [Na+].NC(CCC(O)=O)C([O-])=O +362 CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +363 [Na+].[Na+].[O-]P([O-])(=O)OCC1OC(C(O)C1O)N1C=NC2=C1NC=NC2=O +364 CC1=CCC(CC1=O)C(C)=C +365 COC1=CC2C(C=C1)=NC=CC=2CC1CC2CCN1CC2C=C +366 CCCN(CCC)S(=O)(=O)C1C=CC(=CC=1)C(O)=O +367 [PbH2+2].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O +368 O=C1CCCCCCCCCCCCCCC1 +369 CC1C=CC(O)=C(C=1)OCC +370 C1=CC=CC2C=CC=CC=21 +371 CC1CCC(CC=1)C(C)CC1CCCC1=O +372 OC(=O)C1=CC2=C(C=C1)N=C1C=CC=CN1C2=O +373 CC1C2CC3CC1CC(C2O)C3=C +374 O=C1CCCOC(=O)CCCCCCCCCC1 +375 C=CC1C=CC=CC=1 +376 NCCN +377 CCCC(=O)OCCCC +378 CC1OC=CC=1SSCCC +379 [NH4+].[NH4+].[NH4+].[NH4+].[Fe+2].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N +380 CCNC1N=C(NC(C)(C)C)N=C(N=1)SC +381 CC(CCl)OC(C)CCl +382 OC(=O)C(O)C(O)C(O)=O +383 NC1C=CC=CC=1C(=O)OCC=CC1C=CC=CC=1 +384 CC1=CC(C)=NN1CO +385 CC(C)=CCCC(C)=CCCC(C)=CCO +386 CC(=C)C1CC2(C)C(C)CC(=O)C=C2CC1 +387 CC1=C(C=CN=C1CS(=O)C1NC2C=CC=CC=2N=1)OCC(F)(F)F +388 ClCC1CO1 +389 CCCC(=O)OCC=C +390 CCC1=CC=C(CC(C)(C)C#N)C=C1 +391 O=C1CCCCCCCC=CCCCCCC1 +392 OC(CO)C(O)C(O)C(O)CO +393 CC(C)OC1C=C(C=CC=1)NC(=O)C1C=CC=CC=1C(F)(F)F +394 CC(C)NCC(O)COC1=CC=CC2NC3=CC=CC=C3C1=2 +395 [Na+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C([O-])=O +396 CCCC1CC(C)(CCO1)OC(C)=O +397 CCN(CCO)C1=CC(=C(C=C1)NCCO)[N+]([O-])=O +398 [Na+].[Na+].[O-]C1C(Br)=C2OC3C(=CC(Br)=C([O-])C=3Br)C3(OC(=O)C4=C3C(Cl)=C(Cl)C(Cl)=C4Cl)C2=CC=1Br +399 C(OCC1C=CC=CC=1)C1C=CC=CC=1 +400 CC(=O)NC1C=CC=CC=1 +401 C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 +402 CC1CCC(=O)O1 +403 CC1C=CC=CC=1 +404 CCN(CCCNC(=O)CN1N=CC(=C1C1C=CC=CC=1)C1C=CC=CC=1)CC +405 CN(C)CCCN1C2=CC=CC=C2SC2C=CC(Cl)=CC1=2 +406 [Ba+2].[O-]C(=O)C(O)C(O)C(O)C(O)CO.[O-]C(=O)C(O)C(O)C(O)C(O)CO +407 [Mn+2].CC([O-])=O.CC([O-])=O +408 NS(=O)(=O)C1=CC2=C(C=C1Cl)NCNS2(=O)=O +409 CCOP(OC1=C(C=C(C=C1C)C(C)(C)C)C(C)(C)C)OC1=C(C=C(C=C1C)C(C)(C)C)C(C)(C)C +410 CC#N +411 CCOC(=O)C1C=CC(O)=CC=1 +412 CC(=O)OCC1=CC=C(C=C1)OC +413 CC(C)(C)C1C=C(CCC(=O)OCCOCCOCCOC(=O)CCC2C=C(C)C(O)=C(C=2)C(C)(C)C)C=C(C)C=1O +414 CC(=O)N(CCN(C(C)=O)C(C)=O)C(C)=O +415 CC(C)C(N)C(O)=O +416 CC(C)C1CCC(CO)CC1 +417 CCOP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OCC +418 [K+].[Ag+].[C-]#N.[C-]#N +419 [Na+].[Na+].[O-]S(=O)(=O)C1=CC2=C(C=C1)NC(=C1NC3C=CC(=CC=3C1=O)S([O-])(=O)=O)C2=O +420 CCCC(O)=O +421 OC(=O)CC1NC(=O)C(CC2C=CC=CC=2)NC1=O +422 CC1OC(CC(C)O1)OC(C)=O +423 CNC(=O)ON=CC(C)(C)S(C)(=O)=O +424 [Pb+4].CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O +425 O=CC=O +426 [Na+].[Na+].[Na+].[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O +427 N#CC(Cl)(Cl)Cl +428 OC(=O)CNCP(O)(O)=O +429 C#CCO +430 CC1C(C)OC(=O)C=1O +431 CC1(C)CCCC(=C)C1C(=O)OC +432 O.O.O.[PbH2+2].CC([O-])=O.CC([O-])=O +433 [Ca+2].[O-]C(=O)C(O)C(O)C(O)C(O)CO.[O-]C(=O)C(O)C(O)C(O)C(O)CO +434 NC(CC1=CNC2C=CC=CC=21)C(O)=O +435 CC1(C)COC2(CCCC2)OC1C(C)C +436 Cl.Cl.CC1C(N)=CC=CC=1N +437 CCCCCC(O)CC +438 N#CCCC(Br)(CBr)C#N +439 CC1=CC=C(N)C(Cl)=C1O +440 O.O.[Zn+2].CC([O-])=O.CC([O-])=O +441 CC1(C)CCCC(C)(OC(C)=O)C21CCC(C)O2 +442 CC(O)C(C)SC(C)C(C)S +443 COC1C=CC(CC=C)=CC=1 +444 Cl.Cl.Cl.Cl.NC1C=CC(=CC=1)N(CC(O)CN(CCO)C1C=CC(N)=CC=1)CCO +445 CNC(=O)ON=C(SC)C(=O)N(C)C +446 [Mg+2].CC[O-].CC[O-] +447 CC1=CCCC(C)(C)C1C=CC(C)=O +448 O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl +449 O=S1(=O)CC=CC1 +450 O=C1OCC2C=CC=CC=21 +451 CC(CCC1C=CC=CC=1)=CC#N +452 [Na+].CCC(COC(=O)CC(C(=O)OCC(CCCC)CC)S([O-])(=O)=O)CCCC +453 COC(=O)C1C=CC(=CC=1)C(=O)OC +454 CC1(C)C(C1C(=O)OC(C#N)C1C=CC=C(C=1)OC1C=CC=CC=1)C(Br)C(Br)(Br)Br +455 COC1C=CC=CC=1C=O +456 CCCCCC=CC=CC=O +457 [Na+].[Na+].[Na+].[O-]S(=O)(=O)C1=CC2C=CC(O)=C(N=NC3=CC=C(C4C=CC=CC=43)S([O-])(=O)=O)C=2C(=C1)S([O-])(=O)=O +458 CN1C(=O)C2=C(N=CN2C)N(C)C1=O +459 CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +460 CC(C)(C)C1C=C(O)C(O)=CC=1 +461 CC(C)CC(=O)CC(C)C +462 CC=CC=CC=O +463 [Cl-].C[N+](C)(CCCCCCCCCC)CCCCCCCCCC +464 [Zr+2].CCCCCCCC([O-])=O.CCCCCCCC([O-])=O +465 CCCCNC(=O)N1C(NC(=O)OC)=NC2=CC=CC=C12 +466 C=O +467 CC1=CC(=NC(=N1)C(C)C)OP(=S)(OCC)OCC +468 CCOC(=C)C1C(C)(C)CC(=O)CC1(C)C +469 NC(=S)NNC(N)=S +470 CC(=O)OC(C1C=CC=CC=1)C(Cl)(Cl)Cl +471 CCCCCC#CC(=O)OC +472 [Ca+2].[O-]S(=O)(=O)NC1CCCCC1.[O-]S(=O)(=O)NC1CCCCC1 +473 OC(=O)CCl +474 COC1=CC=C2CC3C4C=CC(O)C5OC1=C2C45CCN3C +475 [Na+].CC(O)=O.CC([O-])=O +476 [Na+].[Na+].NC1NC2=C(N=CN2C2OC(COP([O-])([O-])=O)C(O)C2O)C(=O)N=1 +477 COC1=CC(=CC=C1OC(=O)C(C)C)C=O +478 C=CCNC1C=CC(N)=CC=1[N+]([O-])=O +479 C1=CC=C2C=CC=C3C2=C1C1=CC=CC=C31 +480 CCCCCCCCCCCCCCCCCC(=O)OCCCC +481 [Co+2].CCC([O-])=O.CCC([O-])=O +482 CCCCCCCCO +483 O=CC=CC1C=CC=CC=1 +484 [Cu+2].CCCCCCCCC=CCCCCCCCC([O-])=O.CCCCCCCCC=CCCCCCCCC([O-])=O +485 CC(C)(C)C1=CC(C)=CC(=C1OP1OCC2(COP(OC3C(=CC(C)=CC=3C(C)(C)C)C(C)(C)C)OC2)CO1)C(C)(C)C +486 OC1=CC2CCNC=2C=C1O +487 CNC1C=C(C=CC=1[N+]([O-])=O)OCCO +488 CC1C(C)(C)C2CCCC3OC(C)(C)CC23C1(C)C +489 NC1N=C(N)C(N)=C(N=1)OS(O)(=O)=O +490 OC(=O)C1C=NC=CC=1 +491 CCOC=O +492 OC(=O)CCSCCC(O)=O +493 CC=C1CC2CC1C1CCC(=O)OC12 +494 COC1C=C(C=CC=1CNC(=O)C(=O)NCCC1C=CC=CN=1)OC +495 CC(C)=CCCC(C)=CC#N +496 CCC(CN1C(=O)C2C(C3CC2C=C3)C1=O)CCCC +497 CCOC(=O)C=CC1C=CC=CC=1 +498 CC(O)C(C)(C)C=CC1CC=C(C)C1(C)C +499 OC(=O)C1CCC(CC1)C(O)=O +500 [O-][N+](=O)C1C=CC=CC=1 +501 CCCCCCCCCCCCCCC(C)C1C=C(C)C=C(C)C=1O +502 OCC1C=CC(Cl)=CC=1Cl +503 CC1C=C(C=CC=1SC)OP(=S)(OC)OC +504 [Hg+2].CC([O-])=O.CC([O-])=O +505 COP(N)(=O)SC +506 CC1C(=C(O)C=C2C=1C(=O)C1C(C2=O)=C(O)C(O)=C(C2OC(CO)C(O)C(O)C2O)C=1O)C(O)=O +507 [Cl-].C[N+]1(C)CCCCC1 +508 O.O.O.CC1(C)SC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C1C(O)=O +509 CC(CO)CCCC1C=CC=CC=1 +510 COC(CC1C=CC=CC=1)OC +511 CCCCC(CO)CC +512 NCCCCCCCCCCC(O)=O +513 COC(=O)C(CC1C=CC=CC=1)NC(=O)C(N)CC(O)=O +514 CCCCCCCCCCCCCCCCCCOC(=O)CCC1C=C(C(O)=C(C=1)C(C)(C)C)C(C)(C)C +515 CCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCC +516 CCCCSP(=O)(SCCCC)SCCCC +517 [Tl+].[Tl+].[O-]C([O-])=O +518 NC1=CC=CC=C1C(O)=O +519 [Na+].[O-]C(=O)C1C=CC=CC=1 +520 O=C1CCC2=CC=CC=C2O1 +521 CC1OC(OC2C(OC(CO)C(O)C2O)OC2=CC(O)=C(C(=O)CCC3C=CC(OC)=C(O)C=3)C(O)=C2)C(O)C(O)C1O +522 CC(CCC=C(C)C)C=O +523 [Na+].[Na+].[Fe+3].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O +524 O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 +525 CCCCCCCCCCCCCCCCO +526 CC1(C)C2CCC1(C)C(=O)C2=CC1C=CC(=CC=1)[N+](C)(C)C.COS([O-])(=O)=O +527 CC(O)(P(O)(O)=O)P(O)(O)=O +528 CC(O)CN(CC(C)O)CC(C)O +529 CC(CCCC(C)(C)O)C=C +530 NC1C=CC(N)=C2C=1C(=O)C1=C(C2=O)C(N)=CC=C1N +531 COP(=O)(NC(C)=O)SC +532 CCOC(=O)COC(=O)C1C=CC=CC=1C(=O)OCC +533 NC1=CC(N)=CC=C1 +534 OCCOC1C=CC=CC=1 +535 CC1C=CC(=CC=1C)C1OCC2OC(OC(C2O1)C(O)CO)C1=CC(C)=C(C)C=C1 +536 COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O +537 Cl.Cl.NCCNCCNCCN +538 OC1C=CC=C2C=1C=CC=C2O +539 C1=CC=CC=C1OC1C=CC=CC=1 +540 [Na+].CN(C)C1C=CC(=CC=1)C(C1C=CC(=CC=1)N(CC1=CC(=CC=C1)S([O-])(=O)=O)CC)=C1C=CC(C=C1)=[N+](CC1=CC(=CC=C1)S([O-])(=O)=O)CC +541 CC1CCC(CC=1)C(C)=C +542 OC1C=CC=CC=1C1C=CC=CC=1 +543 OCCC1C=CC=CC=1 +544 OCCN(CCO)CCO +545 COC1=CC(CC=C)=CC=C1O +546 CC1=C(C(=O)C2C=CC(=CC=2)OC)C2C=CC=CC=2N1CCN1CCOCC1 +547 CC1=CCC(C(=C)CC(C)CO)C1(C)C +548 OC1C=C(C=CC=1O)C(O)=O +549 ClC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl +550 CCCCCCCCC=CCCCCCCCC(O)=O +551 [Fe+2].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.N#[O+] +552 CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O +553 NC1C=C(C=CC=1O)[N+]([O-])=O +554 OCC(O)C(O)C(O)C=O +555 [Cu+2].CCCCCCCC([O-])=O.CCCCCCCC([O-])=O +556 CC1=CC(O)=CC=C1 +557 CCCCCCCCC=CCCCCCCCCN +558 CC(CC#N)CCC=C(C)C +559 S=C1NC2C=CC=CC=2S1 +560 C1=CC=CC=C1[Ge](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1 +561 CC(C)[Mg]Cl +562 CC(=O)O[Sn](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1 +563 CCCCCCCC[Sn](CCCCCCCC)(SCC(=O)OCC(CCCC)CC)SCC(=O)OCC(CCCC)CC +564 CCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC +565 CC(=O)[CH-]C(C)=[O+][Al]([O+]=C(C)[CH-]C(C)=O)[O+]=C(C)[CH-]C(C)=O +566 CCCCC(COC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCC(CCCC)CC)CC +567 CCCC[Mg]C(C)CC +568 NC(=O)NC1C=CC(=CC=1)[As](O)(O)=O +569 C[Hg]NC(=N)NC#N +570 Br[Hg]C1C=CC=CC=1 +571 CC1C=C(C)C=C(C)C=1[Sn](C)(C)C +572 C[Sn](SCC(=O)OCC(CCCC)CC)(SCC(=O)OCC(CCCC)CC)SCC(=O)OCC(CCCC)CC +573 OC(CO)C(O)C(O)C(O)C(=O)O[Fe]OC(=O)C(O)C(O)C(O)C(O)CO +574 CCCCCCCCCCCCCCCCCC[Pb]O[Pb]O[Pb]CCCCCCCCCCCCCCCCCC +575 CCCCCCCCC=CCCCCCCCC(=O)O[Hg]C1C=CC=CC=1 +576 C=C[Sn](C=C)(C=C)C=C +577 CO[Sn](CCCC)(CCCC)OC +578 C[Hg]C#N +579 CCCO[Ti](OCCC)(OCCC)OCCC +580 C[Al](C)Cl +581 O=C(O[Bi]=O)O[Bi]=O +582 CCCC[Sn](O)(O)Cl +583 CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC +584 [C]#[W] +585 COC(=O)C=CC(=O)O[Sn](CCCC)(CCCC)OC(=O)C=CC(=O)OC +586 CC[Zn]CC +587 COCCOCCOCC1=C[N+]2O[Zn-2]3(O[N+]4=CC(COCCOCCOC)=CC=C4S3)SC=2C=C1 +588 NC(=O)NC1N=C(NC1=O)O[Al](O)O +589 CC1(C)C(CCC(N)=O)C2N=C1C=C1N=C(C(C)=C3C(CCC(N)=O)C(C)(CC(N)=O)C(C)(C4N=C(C=2C)C(C)(CCC(=O)NCC(C)OP(O)(=O)OC2C(CO)OC(C2O)N2C=NC5C=C(C)C(C)=CC2=5)C4CC(N)=O)N3[Co]OC(C)=O)C(C)(CC(N)=O)C1CCC(N)=O +590 CC(C)(C[Sn](CC(C)(C)C1C=CC=CC=1)(CC(C)(C)C1C=CC=CC=1)O[Sn](CC(C)(C)C1C=CC=CC=1)(CC(C)(C)C1C=CC=CC=1)CC(C)(C)C1C=CC=CC=1)C1C=CC=CC=1 +591 C[SnH](C)C +592 C1=CC=CC2=[S][Cu+2]3([O-]N4C=CC=CC4=[S]3)[O-]N21 +593 C1=CC=CC=C1[Te][Te]C1C=CC=CC=1 +594 CCCC[Sn](SCC(=O)OCC(CCCC)CC)(SCC(=O)OCC(CCCC)CC)SCC(=O)OCC(CCCC)CC +595 C[As](C)(C)=O +596 CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)CCCCCCCC +597 C[Sn](C)(SCC(=O)OCC(CCCC)CC)SCC(=O)OCC(CCCC)CC +598 CCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCC)CCCCCCCCCCCCCC +599 C[Hg]C +600 Cl[Sn](Cl)(Cl)C1C=CC=CC=1 +601 CC[Sn](CC)(CC)CC +602 CCC(COCC=C)(COCC=C)CO[Zr](OCC(COCC=C)(COCC=C)CC)(OCC(COCC=C)(COCC=C)CC)OCC(COCC=C)(COCC=C)CC +603 N#C[Au-]C#N +604 Cl[Sn](Cl)(C1C=CC=CC=1)C1C=CC=CC=1 +605 CC(=O)O[Zr](=O)OC(C)=O +606 C[Pb](CC)(CC)CC +607 C=C[Sn](Cl)(C=C)C=C +608 CC(=O)[CH-]C(C)=[O+][Fe]([O+]=C(C)[CH-]C(C)=O)[O+]=C(C)[CH-]C(C)=O +609 CC(=CC(=O)OCC)O[Al](OC(C)C)OC(C)C +610 CCCCCCCC[Sn](Cl)(CCCCCCCC)CCCCCCCC +611 CC(C)O[Ti]12OCCN(CCO1)CCO2 +612 CC[Al-]1(Cl)[Cl+][Al-](CC)(CC)[Cl+]1 +613 COC(C[Hg]O)CNC(=O)C1=CC=CC=C1OCC(O)=O +614 CC1(C)C(CCC(N)=O)C2N=C1C=C1N=C(C(C)=C3C(CCC(N)=O)C(C)(CC(N)=O)C(C)(C4N=C(C=2C)C(C)(CCC(=O)NCC(C)OP([O-])(=O)OC2C(CO)OC(C2O)N2C=NC5C=C(C)C(C)=CC2=5)C4CC(N)=O)N3[Co+]C#N)C(C)(CC(N)=O)C1CCC(N)=O +615 CC(=O)NC1C=C(C=CC=1O)[As](O)(O)=O +616 CC1=C2C=C3N=C(C=C4C(CCC(O)=O)=C(C)C5=CC6=NC(=CC(=C1CCC(O)=O)N2[Fe]N45)C(CCC(O)=O)=C6C)C(C)=C3CCC(O)=O +617 C[Hg+] +618 CCCC[Sn](CCCC)(OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC +619 CCCCCCCCCCCCCCCCCC1O[Cr](Cl)(Cl)O[Cr](Cl)(Cl)[O+]=1 +620 CC(C)CCCCCOC(=O)CS[Sn](CCCCCCCC)(CCCCCCCC)SCC(=O)OCCCCCC(C)C +621 C[As](O)(O)=O +622 C[As+](C)(C)CC([O-])=O +623 Br[Mg]C1C=CC=CC=1 +624 O=C1O[Pt]2(NC3CCCCC3N2)OC1=O +625 CCCCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC +626 O[Hg]C1C=CC=CC=1 +627 CCCCCCCC[Sn](SCC(=O)OCC(CCCC)CC)(SCC(=O)OCC(CCCC)CC)SCC(=O)OCC(CCCC)CC +628 COCC[Hg]OC(C)=O +629 CCCN(CCOC1C(Cl)=CC(Cl)=CC=1Cl)C(=[O][Mn+2]([Cl-])([Cl-])[O]=C(N1C=NC=C1)N(CCC)CCOC1C(Cl)=CC(Cl)=CC=1Cl)N1C=NC=C1 +630 C[Sn](C)(F)F +631 CC[Al](Cl)CC +632 C[PbH](C)C +633 C[Sn](C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C +634 C[Sn](C)(SCCCCCCCCCCCC)SCCCCCCCCCCCC +635 CC(=O)[CH-]C(C)=[O+][Cr]([O+]=C(C)[CH-]C(C)=O)[O+]=C(C)[CH-]C(C)=O +636 CCCC[Sn](OC(=O)C(CCCCC)CC)(OC(=O)C(CCCCC)CC)OC(=O)C(CCCCC)CC +637 CCCCC(COC(=O)C=CC(=O)O[Sn](CCCC)(CCCC)OC(=O)C=CC(=O)OCC(CCCC)CC)CC +638 CCCCCCCCCCCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCCCCCCCCCCC +639 C[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C +640 C[Pb](C)(CC)CC +641 CC[Pb](C)(C)C +642 CC(C)C[AlH]CC(C)C +643 OS(=O)(=O)C1=CC2C=CC(=O)C(=NO[Fe](ON=C3C4C=CC(=CC=4C=CC3=O)S(O)(=O)=O)ON=C3C4C=CC(=CC=4C=CC3=O)S(O)(=O)=O)C=2C=C1 +644 OCC1OC(S[Au])C(O)C(O)C1O +645 Cl[Mg]C1C=CC=CC=1 +646 CCCCCCCC[Sn](=O)CCCCCCCC +647 CCCC[Sn](CCCC)(CCCC)OC(=O)C=CC(=O)O[Sn](CCCC)(CCCC)CCCC +648 CC(=O)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OC(C)=O +649 CCCC[Sn](F)(F)CCCC +650 CCCCCCCCCCCC[Al](CCCCCCCCCCCC)CCCCCCCCCCCC +651 CCCCCC[Al](CCCCCC)CCCCCC +652 CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC +653 CC(=O)[O-][Hg+2]([OH+]CC[NH-])[C-]1C=CC=CC=1 +654 CCCC[Sn](CCCC)(SCCCCCCCCCCCC)SCCCCCCCCCCCC +655 NCC(=O)O[Al](O)O +656 C1=CC=CC2=C1OC1C=CC=CC=1[As]2O[As]1C2C=CC=CC=2OC2C=CC=CC1=2 +657 CC[Pb](Cl)(CC)CC +658 CC[Ge](Cl)(CC)CC +659 CCCCCCCC[Sn](Cl)(Cl)Cl +660 CCC[As](O)(O)=O +661 C[Sn](C)(C)C +662 CCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC +663 C[Hg] +664 CC1C(C=C)=C2C=C3N=C(C=C4C(C)=C(CCC(O)=O)C5=CC6=NC(=CC=1N2[Fe](Cl)N54)C(C)=C6CCC(O)=O)C(C=C)=C3C +665 CC(C)(C)CCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC +666 [NH4+].CC(=O)O[Hg][C-]1C=CC=CC=1 +667 [Ca+2].C[As]([O-])(O)=O.C[As]([O-])(O)=O +668 [Na+].[Na+].O=C1C[N]23CC(=O)[O-][Ca+2]452([O-]1)[O-]C(=O)C[N]4(CC(=O)[O-]5)CC3 +669 O.O.O.O.O=C1O[Mg]2(OC(=O)C3=CC=CC=C3O2)OC2=CC=CC=C12 +670 [Ca+2].C[As]([O-])([O-])=O +671 [Na+].[Na+].C[As]([O-])([O-])=O +672 [H+].CC(C)(C)C1=CC(=CC2=C1O[Fe-]1(OC(=O)C3C=C(C=C(C=3O1)C(C)(C)C)C(C)(C)C)OC2=O)C(C)(C)C +673 [Na+].[Na+].[Na+].[O-][N+](=O)C1C=CCC2=C1C(=CC1O[Cr-3]3(OC4C=CC5CC=CCC=5C=4N=NC2=1)OC1C=CC2CC=CCC=2C=1N=NC1=C(C=C(C2C(C=CCC1=2)[N+]([O-])=O)S(O)(=O)=O)O3)S(O)(=O)=O +674 N.CC(=O)O[Hg]C1C=CC=CC=1 +675 [Cl-].[Cl-].C1C=CC=C1[Ti+2]C1CC=CC=1 +676 CC(=O)O[Pb]OC(C)=O.O[Pb]O.O[Pb]O +677 O[Al](O)OS(=O)(=O)OC1C(OS(=O)(=O)O[Al](O)O)C(COS(=O)(=O)O[Al](O)O)(OC2OC(COS(=O)(=O)O[Al](O)O)C(OS(=O)(=O)O[Al](O)O)C(OS(=O)(=O)O[Al](O)O)C2OS(=O)(=O)O[Al](O)O)OC1COS(=O)(=O)O[Al](O)O.O[Al](O)[Al](O)O.O[Al](O)[Al](O)O.O[Al](O)[Al](O)O.O[Al](O)[Al](O)O +678 O.[Na+].[Na+].[O-]C(=O)C(CC([O-])=O)S[Au] +679 O.O.O.O.O.O.[Na+].[Na+].C[As]([O-])([O-])=O +680 O.O.O.[Na+].[Na+].C[As]([O-])(O)=O.C[As]([O-])(O)=O +681 C[Al](C)Cl.C[Al](Cl)Cl +682 CN1SC(Cl)=CC1=O.CN1SC=CC1=O +683 [Na+].[Al+3].[O-][Si]([O-])=O.[O-][Si]([O-])=O +684 O.[Zr+4].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O +685 Cl[Sm](Cl)Cl +686 [O-][O+]=O +687 [O-2].[O-2].[O-2].[Cr+3].[Cr+3] +688 O.O.O.O.O.O.O.[Mg+2].[O-]S([O-])(=O)=O +689 [Na+].[O-]P(=O)=O +690 [Cl-].[Cl-].[Cd+2] +691 [Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])([O-])=O +692 FN(F)F +693 O=[Sb]O[Sb]=O +694 O.O.[Na+].[Na+].[O-][W]([O-])(=O)=O +695 [Fe+2].[O-]S([O-])(=O)=O +696 ClNBr +697 [Na+].[O-]N=O +698 O.O.[Na+].[O-]B=O +699 [AlH3].[Mo].[Mo].[Mo] +700 [K+].[K+].[K+].[K+].[O-]P([O-])(=O)OP([O-])([O-])=O +701 [K+].[K+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O +702 OS(O)(=O)=O +703 [Mg+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O +704 N +705 O=[Sm]O[Sm]=O +706 O=[Mg].O=[Fe]O[Fe]=O +707 O=[Os](=O)(=O)=O +708 O.O.O.O.O.O.O=[Zr](Cl)Cl +709 [Na+].[O-]Cl=O +710 [Ca+2].[Ca+2].[O-][Si]([O-])([O-])[O-].O=[Ca] +711 [Li+].[O-]Cl +712 [K+].[O-][Al]=O +713 [Na+].[Na+].[O-]B=O.[O-]B=O +714 [137CsH] +715 FI(F)(F)(F)F +716 O.O.O.O.O.O.O.O.O.[Na+].[Na+].[O-][Si]([O-])=O +717 [K+].[Br-] +718 [K+].[O-][Si](O)=O +719 OCl +720 [Ca+2].[O-][Cr]([O-])(=O)=O +721 O=O +722 O=[Cu] +723 [K]I.II +724 O.[Na+].[Na+].[O-]P([O-])(O)=O +725 Cl[Hg][Hg]Cl +726 [Ca+2].[Ca+2].[Ca+2].[O-][As]([O-])([O-])=O.[O-][As]([O-])([O-])=O +727 [Li+].[OH-].O +728 [OH-].[K+].[Zn+2].[Zn+2].[O-][Cr]([O-])(=O)=O.[O-][Cr]([O-])(=O)=O +729 [Pb] |^3:0| +730 FF +731 [Ni] +732 [PbH2+2].[PbH2+2].[O-]S([O-])(=O)=O.[O-][Cr]([O-])(=O)=O +733 O[Al](O)O +734 S=[As][As]=S +735 S=[Se]=S +736 S=[Hg] +737 O[As](O)(=O)O[As](O)(O)=O +738 O=[Ag] +739 [Na+].[O-]B=O +740 O[As](O)(O)=O +741 O1[Ag]O[Ag]1 +742 [NH4+].[O-]P(O)=O +743 [K+].[O-]S(=O)(=O)OO +744 [NH4+].[F-].F +745 [Ag+].[O-][N+]([O-])=O +746 [InH3] +747 [K+].[K+].[K+].[O-]P([O-])([O-])=O +748 O.O.O.O.O.O.[La+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O +749 O.[O-][V+3].[O-]S([O-])(=O)=O +750 O1O[Ca]1 +751 O=[Ca] +752 Cl[Pb]Cl +753 [Cr] +754 O.O.O.O.O.O.Cl[La](Cl)Cl +755 [Na+].[O-][Se](O)(=O)=O +756 [NH4+].[NH4+].[NH4+].[O-]P([O-])([O-])=O +757 [Zn+2].[O-][Si]([O-])=O +758 [Sr+2] +759 [NH4+].[Cl-] +760 [NH4+].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O +761 O.O.O.O.O.O.O.[Na+].[Na+].[O-][As]([O-])(O)=O +762 [Na+].[O-][As]=O +763 OCl(=O)=O +764 [NH4+].[NH4+].[O-]S(=O)(=O)[S-] +765 Cl[Ga](Cl)Cl +766 [Na+].[Na+].[O-]B(OB([O-])OB=O)OB=O +767 [NH4+].[O-]P(O)(O)=O +768 F +769 ClP(Cl)Cl +770 [NH4+].[F-] +771 S=P12SP3(=S)SP(=S)(S1)SP(=S)(S2)S3 +772 [V] +773 [K+].[K+].[O-]S(=O)S([O-])(=O)=O +774 [Na+].[Na+].[O-]S(=O)(=O)OOS([O-])(=O)=O +775 O.O.O.O.O.[Cu+2].[O-]S([O-])(=O)=O +776 [Cl-].[Cl-].[Hg+2] +777 [B] +778 [Zn+2].[O-]S([O-])(=O)=O +779 O.[Na+].[O-]P(O)(O)=O +780 [O-][N+](=O)[Sm]([N+]([O-])=O)[N+]([O-])=O +781 O.Cl[Ce](Cl)Cl +782 BrNBr +783 [Ba+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O +784 [Na+].[Na+].[O-]S([O-])=O +785 [PbH2+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O +786 S +787 [K+].[K+].[K+].[O-]B([O-])[O-] +788 [Cu+2].F[Si-2](F)(F)(F)(F)F +789 O.[Mg+2].[O-]S([O-])(=O)=O +790 [Na+].[Zr+4].[Ag+].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O +791 [NH4+].[NH4+].[O-]S([O-])(=O)=O +792 [AlH3].[AlH3].[Er] +793 O.O.O.O.O.O.O.[Zn+2].[O-]S([O-])(=O)=O +794 [K+].[O-]P=O +795 OP(O)=O +796 [Na+].[Na+].[O-][As]([O-])(O)=O +797 I[Au] +798 O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O +799 O.O.O=[Si](O[Si](=O)O[Al]=O)O[Al]=O +800 [PbH2+2].[O-]P([O-])=O.O=[Pb].O=[Pb] +801 [NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O +802 [Na+].[Al+3].[Al+3].[Al+3].[O-]P([O-])(O)=O.[O-]P([O-])(O)=O.[O-]P(O)(O)=O.[O-]P(O)(O)=O.[O-]P(O)(O)=O.[O-]P(O)(O)=O.[O-]P(O)(O)=O.[O-]P(O)(O)=O +803 O[Cr](O)(=O)=O +804 O.O.O.O.O.O.[Co+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O +805 O=[Mg] +806 BrBr +807 [O-][N+](O)=O +808 [Na+].[O-]S(O)=O +809 F[Co](F)F +810 O.[Cl-].[Cl-].[Mn+2] +811 [Pb+4].[O-][Si]([O-])=O.[O-][Cr]([O-])(=O)=O +812 [Ni+2].[O-]S([O-])(=O)=O +813 [Fe+2] +814 [OH-].[Na+] +815 [NH4+].[NH4+].[O-]B1OB2OB([O-])OB(O1)O2 +816 [Al+3].[K+].[O-][Si]([O-])=O.[O-][Si]([O-])=O +817 O.O.O.[Cu+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O +818 [OH-].[OH-].[Ca+2] +819 O.O.O.O.O.[Na+].[Na+].[O-]S([O-])(=O)=S +820 O.O.O.O.[Na+].[O-][B](=O)=O +821 [Na+].[Na+].[O-]P([O-])(O)=O +822 [Na+].[O-]S(O)(=O)=O +823 O.O.[Ca+2].[O-]S([O-])(=O)=O +824 [Na]SS[Na] +825 O=[Cr]O[Cr]=O +826 [Br-] +827 ClP(Cl)(Cl)(Cl)Cl +828 [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]Cl.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O +829 [AlH3].[Ni] +830 Cl[Au] +831 [Cl-] +832 [OH-].[OH-].[Fe+2].[Cu+2].[O-]S([O-])(=O)=O +833 N#N +834 O.O.O.O.[K+].[K+].[O-]B([O-])OB1OB(OB=O)O1 +835 [Na+].[Na+].[Na+].[O-][V]([O-])([O-])=O.OO.OO.OO +836 O=[Pb]=O +837 [Mn+2].[O-]P=O.[O-]P=O +838 O=[Ni] +839 [Na+].[Na+].[O-][W]([O-])(=O)=O +840 [Cl-].[Cl-].[Sr+2] +841 O.O.O.O.O.O.[Ni+2].[O-]S([O-])(=O)=O +842 O[AsH](O)=O +843 [Br-].BrBr +844 [Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)(OP([O-])([O-])=O)OP([O-])([O-])=O +845 [Ba+2].[O-]B=O.[O-]B=O +846 [AlH3].[AlH3].[AlH3].[Ti] +847 [Na+].[Cl-] +848 [NH4+].[O-]S(O)=O +849 [S] |^3:0| +850 [Cu+2].[O-][AsH]([O-])=O +851 O=[Mn] +852 O.O.[Na+].[Na+].[O-]P([O-])(O)=O +853 [K+].[O-][As](O)(O)=O +854 [OH-].[OH-].[Zn+2] +855 [Na+].[O-][Si](O)=O +856 [Cl-].[Cs+] +857 [Hg+].[O-][N+]([O-])=O +858 O=Cl[O] |^1:2| +859 NN.OS(O)(=O)=O +860 I[Ca]I +861 O=[Bi]O[Bi]=O +862 O=[Tl]O[Tl]=O +863 Cl[Te](Cl)(Cl)Cl +864 [PbH2+2].[O-]S([O-])(=O)=O.O=[Pb] +865 O1O[Zn]1 +866 O.O.O.O.O.O.Cl[Dy](Cl)Cl +867 [Mg+2].[Mg+2].[Mg+2].[P-3].[P-3] +868 OS(=O)(=O)F +869 II +870 [Al+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O +871 S=[As](=S)S[As](=S)=S +872 [NH4+].NS([O-])(=O)=O +873 [PbH2+2].[O-][As]([O-])(O)=O +874 [Hg] +875 O[Fe]=O +876 [Mn+2].[O-]S([O-])(=O)=O +877 OCl(=O)(=O)=O +878 [Na+].[O-][V](=O)=O +879 Cl[La](Cl)Cl +880 O.O.O.O.O.O.[Zn+2].[O-]S([O-])(=O)=O +881 ClSSCl +882 ClN(Cl)Cl +883 O.[Mn+2].[O-]S([O-])(=O)=O +884 [Fe+3].[O-]P([O-])([O-])=O +885 [Na+].F[B-](F)(F)F +886 NP(N)(O)=O +887 O.O.Cl[Sn]Cl +888 [H+].F[B-](F)(F)F +889 [Na+].[Na+].[Na+].[O-][V]([O-])([O-])=O +890 [O-][N+]([O-])=O +891 [Fe+3].[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O +892 O=S(=O)=O +893 O[Zr]Cl +894 [Mn+2].[O-][As]([O-])(O)=O +895 NBr +896 [K+].[K+].[K+].[K+].[O-][Sb]([O-])(=O)O[Sb]([O-])([O-])=O +897 [Na+].[Na+].[Na+].[O-][As]([O-])([O-])=O +898 [Cl-].[Cl-].[Fe+2] +899 O.[Cu+2].[O-]S([O-])(=O)=O +900 [NH4+].[O-]Cl(=O)(=O)=O +901 [O-2].[O-2].[O-2].[Y+3].[Gd+3] +902 O.O.O.O.O.O.[Al+3].[Cl-].[Cl-].[Cl-] +903 [Na+].[Al+3].[O-][Si]([O-])([O-])[O-] +904 O=[Pb] +905 [Na+].[Na+].[O-]S([O-])(=O)=O +906 [Ca+2].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O +907 ClBr +908 [F-] +909 F[Si-2](F)(F)(F)(F)F +910 OS(=O)(=O)Cl +911 [NH4+].[O-][AsH](O)=O +912 I +913 [AsH3] +914 [K+].[O-][As]=O +915 I[Zn]I +916 OI +917 O=[Fe] +918 O.O.[Ca+2].[O-][Cr]([O-])(=O)=O +919 FS(F)(F)(F)(F)F +920 [Na]S +921 [Na+] +922 [PbH2+2].[O-]S([O-])(=O)=O.O=[Pb].O=[Pb].O=[Pb] +923 O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)(OP([O-])([O-])=O)OP([O-])([O-])=O +924 [OH-].[AlH3].[Cl-].[O-]S([O-])(=O)=O +925 O.O.O.O.O.[Na+].[Na+].[O-][Si]([O-])=O +926 O.[Zn+2].[O-]S([O-])(=O)=O +927 [Cu+].[Se-2].[Se-2].[In+3] +928 Cl.NO +929 [K+].F[B-](F)(F)F +930 F[Ce](F)F +931 [O-][N+](=O)N=O +932 [Na+].[Na+].[Na+].[O-]P1(=O)OP([O-])(=O)OP([O-])(=O)O1 +933 [Na+].[N-]=[N+]=[N-] +934 [NH4+].[O-][N+]([O-])=O +935 [Na+].[Al+3].[K+].[O-][Si](O)=O.[O-][Si]([O-])=O.[O-][Si]([O-])=O +936 O=[W](=O)=O +937 O[Al](O)O.O[Al](O)Cl +938 [Na+].[Na+].[Na+].[F-][Al+3]([F-])([F-])([F-])([F-])[F-] +939 Cl[Ti]Cl +940 [K+].[O-]Cl +941 [Cu]O[Cu] +942 [Zr] +943 [K+].[K+].[O-]P([O-])O +944 [Tl+].[Tl+].[O-][Se]([O-])=O +945 [OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-]S([O-])(=O)=O +946 O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Cl-].[Cd+2].[Cd+2] +947 S1[Sb]2S[Sb]3S[Sb]1S[Sb](S2)S3 +948 O=[Mo]=O +949 S=[Se] +950 O.O.O.O.O.O.O.O.O=[Zr](Cl)Cl +951 [Zn+2].[O-][Cr]([O-])(=O)=O +952 O.[Fe+2].[O-]S([O-])(=O)=O +953 [Mo] +954 O.O.O.O.O.[Na+].[Na+].[O-]B1OB2OB([O-])OB(O1)O2 +955 [Mn] +956 [Al+3].[K+].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O +957 [O-]S([O-])(=O)=O.O=[V+2] +958 [K+].[O-][Mn](=O)(=O)=O +959 O.O.Cl[Cd]Cl +960 [Na+].[O-][N+]([O-])=O +961 [F-].[K+] +962 [Rh] +963 [NH4+].[NH4+].[O-]S([O-])=O +964 O=[Sb](=O)O[Sb](=O)=O +965 [Na+].[O-][Mn](=O)(=O)=O +966 [NH4+].[O-]S(O)(=O)=O +967 O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[O-]P([O-])([O-])=O +968 [K+].[O-]P(O)(O)=O +969 [O-]S([O-])(=O)=O +970 NN +971 [Na+].[O-]S(=O)(=O)NBr +972 [Ca+2].[Ca+2].[Ca+2].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O +973 [Na+].[Na+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O +974 [K+].[K+].[O-]S(=O)(=O)SSS([O-])(=O)=O +975 [O-][N+](=O)O[U](=O)(=O)O[N+]([O-])=O +976 [Pm] +977 [Cl-].[K+] +978 [I-].[I-].[Hg+2] +979 O +980 [O-]N=O +981 [Cd] +982 O=[V](=O)O[V](=O)=O +983 O=[Ga]O[Ga]=O +984 O.O.O.O.O.O.O.[Ni+2].[O-]S([O-])(=O)=O +985 O=S(=O)(Cl)Cl +986 [Na+].[O-]OB=O +987 [K]O[K] +988 [Ca+2].[Ca+2].[O-][Al]([O-])O[Al]([O-])[O-] +989 O=[Zr](Cl)Cl +990 [F-].[F-].[F-].[Al+3] +991 [NH4+] +992 [Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O +993 O1O[Ba]1 +994 O=[Hg] +995 [K+].[I-] +996 [Se] |^3:0| +997 [Cl-].[Cl-].[Cl-].[Yb+3] +998 [Cu]Br +999 [Cl-].[Hg+] +1000 OOB=O diff -r 000000000000 -r 72b687d21f65 test-data/output_all.smi --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/output_all.smi Tue Mar 22 16:06:54 2022 +0000 @@ -0,0 +1,508 @@ +CC1=CC(=CC=C1SC)OP(=O)(NC(C)C)OCC +CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1 +CC(C)CC(O)CC(C)C +CC(C)=CCCC(C)=CCO +CCC(CNC1N=C(NC2C=CC(=CC=2)C2=NC3C=C(C=CC=3O2)C(C)(C)CC)N=C(NC2C=CC(=CC=2)C2=NC3C=C(C=CC=3O2)C(C)(C)CC)N=1)CCCC +CC1C=CC2=C(N=1)N(CC)C=C(C(O)=O)C2=O +CC(C)NC1=NC(Cl)=NC(NC(C)C)=N1 +OC1C=CC(=CC=1)C(O)=O +OC1=CC=CC2=CC=CC=C21 +OCCCl +NC1C=CC(=CC=1)NC1C=CC=CC=1 +OCC(Cl)CCl +CC1=CN=C(CC)C=N1 +CCOC(=O)C1C=CC(=CC=1)N1C(=O)C2=CC=C3C4=C2C(=CC=C4C(=O)N(C2C=CC(=CC=2)C(=O)OCC)C3=O)C1=O +NC(CO)(CO)CO +[Na+].CC1=CC(N=NC2C=CC(=CC=2)S([O-])(=O)=O)=C(N)C=C1N +Cl.Cl.COC(=O)C1C(C(C(=O)OCCN2CCN(CC2)C(C2C=CC=CC=2)C2C=CC=CC=2)=C(C)NC=1C)C1C=C(C=CC=1)[N+]([O-])=O +CC(C)C1=CC(=C(C(=C1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O +CCC=CCCO +O=C(C=CC=CC1=CC2OCOC=2C=C1)N1CCCCC1 +COC1(C)CC(OC2C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC3OC(C)CC(C3O)N(C)C)C2C)OC(C)C1O.CCCCCCCCCCCCCCCCCC(O)=O +CC1C=CC=CC=1O +CCOC(=O)C1CCC(CC1)C(=O)OCC +[Na+].O=C[CH-]C=O +O=C1NSC2C=CC=CC=21 +OC1C=CC2C=CC=CC=2C=1N=NC1C=CC=CC=1 +CC=CC1=CC=C(C=C1)OC +CC(C)(C)C(O)C(CC1=CC=C(Cl)C=C1)N1C=NC=N1 +CSCC(C=O)=CC1C=CC=CC=1 +CCCOC(=O)C1C=NC(=CC=1)C(=O)OCCC +CC1(C)CC2C1CCC1(C)OC1CCC2=C +OC1=CC=C(Cl)C=C1CC1C=CC=CC=1 +CC(C)(O)C=C +ClC1(Cl)C2(Cl)C3C=CC(Cl)C3C1(Cl)C(Cl)=C2Cl +CC(=O)OCC=C +CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +Cl.OCCNC1=CC2OCOC=2C=C1 +OCCOCCOCCO +[Na+].[O-]C1C(OC(=O)C=1O)C(O)CO +CC(C)C1CCC(C)CC1C(=O)NCC(=O)OCC +NCCC1=CC=C(O)C=C1 +CC1=CCC(CC1=O)C(C)=C +S=C1NCCN1 +COC(=O)OC1CCCC=CCC1 +CC1C=C(N)C(C)=CC=1C +CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC21C +COP(=O)(NC)OC1C=CC(=CC=1Cl)C(C)(C)C +CC1=CC2C=CC=NC=2C=C1 +[Na+].[O-]S(=O)(=O)C1=CC2C=CC(O)=C(N=NC3C=CC=CC=3)C=2C=C1 +ClC(Cl)C(Cl)(Cl)Cl +OC(=O)C1C(C2CCC1O2)C(O)=O +CC(CC1C=CC(=CC=1)C(C)(C)C)CN1CC(C)OC(C)C1 +CC(C)CCCC(C)(C)O +[Na+].[Na+].[Na+].[Na+].[O-]C([O-])=O.[O-]C([O-])=O.OO.OO.OO +ClC1(Cl)C2(Cl)C3CC(Cl)C(Cl)C3C1(Cl)C(Cl)=C2Cl +CCCCCC1=CC=CC(=O)O1 +[O-][N+](=O)C1=CC=C(C=NN2CC(=O)NC2=O)O1 +BrC1C(Br)=C(Br)C(Br)=C(Br)C=1Br +[Na+].CCC([O-])=O +NC(=O)CCC(N)C(O)=O +CC1C=C(C=C(C)C=1N(C)C)OC(=O)NC +CCOC(=O)C(C)C +CC(C)C1=CC=C(CC(C)C=O)C=C1 +CC(C)C12CC1C(C)C(=O)C2 +CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +CCCC(=O)OCCC(C)C +[Cl-].COC1=CC(N=NC2=CC(=CC=C2)[N+](C)(C)C)=C(C=C1N)OC +CN1CCCC1=O +CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +[Na+].[Na+].CC[N+](CC1=CC(=CC=C1)S([O-])(=O)=O)=C1C=CC(C=C1)=C(C1C=CC(O)=CC=1S([O-])(=O)=O)C1C=CC(=CC=1)N(CC1=CC(=CC=C1)S([O-])(=O)=O)CC +ClC1C=CC=CC=1C1N=NC(=NN=1)C1C=CC=CC=1Cl +CCC1C=CC=C(O)C=1 +CC(NC)C(O)C1C=CC=CC=1.CC(NC)C(O)C1C=CC=CC=1.OS(O)(=O)=O +CC(=O)OC1CCCCC1C(C)(C)C +[Na+].[Na+].CC1C=C(N=NC2=C(O)C=CC3C=C(C=CC=32)S([O-])(=O)=O)C(=CC=1S([O-])(=O)=O)OC +COC(=O)OCC +CCOP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)C1C=CC=CC=1 +COC1C=CC(=CC=1N)NCCO +CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CCO +NCCO.[O-][N+](=O)C1=CC(Cl)=C(C=C1)NC(=O)C1C=C(Cl)C=CC=1O +CC=CC1=CC=C(C=C1)OC +CCSC(=O)N1CCCCCC1 +CC(C)CCCC(C)CC#N +NC1C=CC(=CC=1)N=NC1C=CC(=CC=1)N(CCO)CCO +CC1CC2C(C(=O)O1)=C(O)C(=CC=2Cl)C(=O)NC(CC1C=CC=CC=1)C(O)=O +CC(CO)C1C=CC=CC=1 +CN(C)C(=O)NC1=CC(=CC=C1)C(F)(F)F +CC(C)N(C(=O)CCl)C1C=CC=CC=1 +Cl.NC1C=CC(=CC=1[N+]([O-])=O)N(CCO)CCO +CCSC(=O)N(CC(C)C)CC(C)C +OCC(=O)CO +CC(N)=O +CC(C)(C)C1=CC(CCC(=O)NNC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C +Cl.NC(CCC(O)=O)C(O)=O +CO +CC(Cl)CCl +CCCCCCCCOC(C)=O +CC(COC(=O)C1C=CC=CC=1)OC(=O)C1C=CC=CC=1 +CC(=CC1C(C)=CCCC1(C)C)C(C)=O +CCNC1=CC(=CC(Cl)=C1O)[N+]([O-])=O +COC(=O)NS(=O)(=O)C1C=CC(N)=CC=1 +CC=C(C)C1CCC(C)(C)O1 +N#CC1=CC(Br)=C(O)C(Br)=C1 +C=C(Cl)Cl +CCCC1=CC2OCOC=2C=C1 +CCCCCC(C=O)=CC1C=CC=CC=1 +CC(=O)OC(C)(C)C +COC(=O)NC1NC2C=CC=CC=2N=1 +CC1(C=C)OC(=O)N(C2C=C(Cl)C=C(Cl)C=2)C1=O +CN1C2N=CN(C)C=2C(=O)NC1=O +CCOC(=O)C(C)C=C=C +CC1=CC(=CC=C1N=NC1C=CC(=CC=1)[N+]([O-])=O)N(CCO)CCO +COP(=S)(OC)SCN1N=NC2C=CC=CC=2C1=O +NC1C(Cl)=C(N=C(Cl)C=1Cl)C(O)=O +CC1C=CC=C(CC)C=1N(C(C)COC)C(=O)CCl +CC1C2=CC=CC=C2OC=1C(C)=O +CC1C=NC=CC=1 +COP(=O)(OC(=CCl)C1=CC(Cl)=C(Cl)C=C1Cl)OC +CC(C)=CC1C(C(=O)OCN2C(=O)C3CCCCC=3C2=O)C1(C)C +OC1C=CC=CC=1 +CCCCCC(=O)OCC=C +C=CC1(CC=CCC1)C=O +CN1C=C(C(=O)C(=C1)C1C=CC=CC=1)C1=CC(=CC=C1)C(F)(F)F +OC1=CC(O)=C(Cl)C=C1 +CC(=O)C(C)C(=C)C(C)C(C)(C)C +C=CCCCCCCCCC(O)=O +OC(C(=O)C1C=CC=CC=1)C1C=CC=CC=1 +CC1C(C)(C)C2CCC3CC(C)(C)OC3C2C1(C)C +CCCCC(COC(=O)C1C=CC=CC=1C(=O)OCC(CCCC)CC)CC +ClC(Br)Br +CC(C)O +CCCCCCCCCCCCCC(=O)OC +ClCCl +C=C(C1CCCCC1)C(=O)CCC=C +CC1(C)C(=O)N(CO)C(=O)N1CO +CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O +C1=CC=CC=N1 +OC(CO)CO +Cl.Cl.NC1=CC(CC2C=C(N)C=CC=2O)=C(O)C=C1 +CCOC(=O)C(CC(=O)OCC)SP(=O)(OC)OC +CC1CC(=O)CCCCCCCCCCCC1 +O=CC1=CC=CO1 +CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C +CNC(=O)ON=CC(C)(C)SC +NC1=CC(=C(N)C=C1)[N+]([O-])=O +[Na+].[O-]S(=O)(=O)NC1CCCCC1 +CC(=O)CCC1C=CC=CC=1 +CCP(=S)(OCC)SC1C=CC=CC=1 +COC1C=CC(CC=C)=CC=1OC +COCN(C(=O)CCl)C1C(CC)=CC=CC=1CC +C1=C(C=CC2C=CC=CC=21)NC1C=CC=CC=1 +OC1C2OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(OC(OC2CO)C1O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O +[Na+].[O-]C(=O)CF +CCCCOC(C)=O +CCOC(=O)C1C=CC=CC=1C(=O)OCC +OC1C=CC(Cl)=CC=1Cl +C1COCCN1 +SC1=CC2C=CC=CC=2C=C1 +[Na+].[Na+].NC1C=C(C=C2C=C(C(N=NC3C=CC=CC=3)=C(O)C2=1)S([O-])(=O)=O)S([O-])(=O)=O +CCC12CC3CC1C2C3OC +CCCC1=CC=C(C=C1)OC +CC(Cl)(Cl)Cl +CC(C)OC(=O)C(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1 +ClCCCl +CC(O)=O +CC(C)(Cl)OC(C)(C)Cl +O=C(OC(COC(=O)C1C=CC=CC=1)COC(=O)C1C=CC=CC=1)C1C=CC=CC=1 +CCN(CC)C(=S)SSC(=S)N(CC)CC +C=CC(N)=O +CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC +CC(C)(CC)C1CCC(CC1)OCC +CCOC(=O)CC1(C)OCCO1 +CC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O +CCCCCCC(C=O)=CC1C=CC=CC=1 +Cl.CC1N=CC(CO)=C(CO)C=1O +CC1CCC(CC=1)C(C)(C)OC(C)=O +CC(C)C1CCC(C)CC1=O +CC(C)(O)CCCC1CCC(CC=1)C=O +Cl.NC1=C(Cl)C(O)=CC=C1Cl +Cl.COC1C=CC2N=CC=C(C(O)C3CC4CCN3CC4C=C)C=2C=1 +CC(C)(C#N)OC1OC(CO)C(O)C(O)C1O +CC(=O)C1C=CC=CN=1 +[Cl-].C[N+](C)(C)C1=CC2C(N=NC3C=CC=CC=3OC)=C(O)C=CC=2C=C1 +CC1C=C(C=CC=1)N(CC)C(=O)CC +CBr +C=CC#N +[O-][N+](=O)C1C=C(C=CC=1NCCO)OCC(O)CO +CC1(C)C2CCC1(C)C(=O)C2=CC1C=CC=CC=1 +OCCOCCO +OC1C=CC=CC=1C(O)=O +CC=O +O=C1CCCCCN1 +CC(C)OC(=O)NC1C=CC=CC=1 +CC(C)CCO +COP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC +C1=CC=CC2NN=NC=21 +COC(=O)NC1NC2=CC(=CC=C2N=1)SC1C=CC=CC=1 +CCCCCCCCC(O)=O +CC(=O)NC1=CC(N)=C(C=C1)OCC +C=CCCCCCCCCC=O +O=C(OCC1C=CC=CC=1)C1C=CC=CC=1 +C1OC1C1C=CC=CC=1 +CN(C)C1C=CC=CC=1 +NC1C=C(O)C=CC=1 +CCC1CCC(=O)C=1O +[Na+].[O-]C(=O)CNCO +[Na+].NC1C=C(C=C(C=1[O-])[N+]([O-])=O)[N+]([O-])=O +CC1CC(=O)OC1CCCCCC +OC1=CC(O)=CC=C1 +[O-][N+](=O)C1=CC(O)=CC=C1NCCCO +CC(C)(C)C(=O)C(OC1C=CC(Cl)=CC=1)N1C=NC=N1 +CC1=CC(C)=C(C=C1)C(C)=O +CC1=CC=C(C=C1)C=C +CC1N=CSC=1CCO +[Na+].[Na+].CC1=CC(=C(C=C1)NC1=CC=C(NC2=CC=C(C)C=C2S([O-])(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S([O-])(=O)=O +COC(=O)OC +CC(C)C12CC1C(C)C(=O)C2 +CC(C)=CC=O +[O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O +CC(CO)C1CCC(C)(C)C23CC(CC2)C(C)(C)C3=1 +CNC1C=CC(=CC=1[N+]([O-])=O)N(CCO)CCO +CCCCCCCOC(=O)C1C=CC(O)=CC=1 +[Cl-].C[N+](C)(C)C1C=C2C(N=NC3=CC(=C(N)C=C3)[N+]([O-])=O)=C(O)C=CC2=CC=1 +O.O.O.CC(N)(CC1=CC(O)=C(O)C=C1)C(O)=O.CC(N)(CC1=CC(O)=C(O)C=C1)C(O)=O +CCCCCCC(O)=O +COC(N)=O +[K+].CC=CC=CC([O-])=O +C1N2CN3CN1CN(C2)C3 +CC1C2=CC=C(C=C2OC(=O)C=1Cl)OP(=S)(OCC)OCC +CC(CC1CC(O)=C(C(=O)C1)C(CCC)=NOCC)SCC +COC(=O)C1C=CC=CC=1O +NC1C=CC(O)=CC=1[N+]([O-])=O +[Br-].[Br-].C1C[N+]2=CC=CC=C2C2C=CC=C[N+]=21 +OC1OCC=C2OC(=O)C=C21 +CCCC1COC(CN2C=NC=N2)(O1)C1=CC=C(Cl)C=C1Cl +CC1(C)C2CCC(C)C32CC1C(C)(O)CC3 +COC(=O)C1C=CC=CC=1N +CC1=CC(CCCOP2OC3C(=CC(=CC=3C3=CC(=CC(=C3O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C +CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O +COP(=O)OC +C(C1=CC=CO1)N1C=CC=C1 +CNC1C=CC=CC=1C(=O)OC +CCCCCC(=O)OCC +O.[K+].[K+].[K+].[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O +OC1C=C2C=C(O)C=CC2=CC=1 +CC(CCO)CCC=C(C)C +CCCCOC(=O)C1C=CC=CC=1C(=O)OCC1C=CC=CC=1 +CCCCC(C)O +CCCCNC(=O)OCC#CI +CC(=NOC(=O)NC)SC +NC1=CC(N)=C(C=C1)OCCCOC1C=CC(N)=CC=1N +CP(=O)(OC)OC +CC1COC(=O)O1 +CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C(C)=C(C)C(OC(C)=O)=C2C +CC1C=C(O)C=CC=1C +C=CC(=O)NCO +[Na+].[Na+].[Na+].[O-]S(=O)(=O)C1=CC2C=C(C=CC=2C(N=NC2=CC=C(C3C=CC=CC=32)S([O-])(=O)=O)=C1O)S([O-])(=O)=O +CC1C=CC=C(C)C=1O +CC1CCC(CC=1)C(C)=C +OC(=O)CBr +CC1(C)C(C)C(C)(C)C2C=C3COCC(C)C3=CC1=2 +ClC1C=CC(Cl)=CC=1 +CC(C)C1CCC(C)CC1O +NC(CS)C(O)=O +CC(OC(C)(C)CC)C(=O)OCCC +CC1C=C(O)C=C(C)C=1Cl +C1C(N=C2SCCN21)C1C=CC=CC=1 +CN(C=NC1=CC=C(C)C=C1C)C=NC1=CC=C(C)C=C1C +CC1CC=CCCCCCCCCCC(=O)C1 +CC1(C)C(C1C=C(Cl)C(F)(F)F)C(=O)OCC1C=CC=C(C2C=CC=CC=2)C=1C +CC(O)CCO +COC1C2OC=CC=2C=C2C=CC(=O)OC2=1 +OC(=O)COC1C=CC(Cl)=CC=1Cl +CCCCCCCCCCCCCCCC(=O)OC +[Cl-].C[N+]12CN3CN(C1)CN(C2)C3 +C1=CNC2=CC=CC=C21 +CC(C)(C)C1C=CC(=CC=1)C(O)=O +CCCCCCCCC=CCCCCCCCC(=O)OCC +CCCCCC=CC=CC=O +CC(C)(C)C1=CC=C(C=C1)OC1CCCCC1OS(=O)OCC#C +CC1=CC2=CC=CC=C2C=C1 +NC1CCCCC1 +NC(=N)NCCCC(N)C(O)=O +CCCCCCCCCCCCO +[Na+].[O-]C(=O)C1C=C(C=CC=1[N+]([O-])=O)OC1C=CC(=CC=1Cl)C(F)(F)F +[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C +CCCCOC(=O)C1C=CC=CC=1C(=O)OCCCC +[Na+].[Na+].[O-]S(=O)(=O)C1=CC=C(N=NC2C=C(C3C=CC=CC=3C=2O)S([O-])(=O)=O)C2C=CC=CC=21 +[Na+].[O-]C1C(OC(=O)C=1O)C(O)CO +OC(=O)C(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1 +CNC(=O)CSP(=S)(OC)OC +CN(C)NC(=O)CCC(O)=O +ClC1=CC=CC=C1NC1N=C(Cl)N=C(Cl)N=1 +[K+].CC1=CC(=O)[N-]S(=O)(=O)O1 +NC(N)=O.NC(N)=O.OS(O)(=O)=O +CC(C)C(=O)OCC(C)C +[NH4+].CC1(C)C2CCC3(C)C(C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C([O-])=O)C2(C)CCC1OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O +Cl.CN(C)C(C)CN1C2=CC=CC=C2SC2C=CC=CC1=2 +NC(CO)C(O)=O +OCC(O)C(O)C(O)C(O)C=O +CC(=O)OCCC1C=CC=CC=1 +OC1C=CC(O)=CC=1 +OCC(O)=O +CC1C=CC(C)=C(O)C=1C +[Cl-].CC1=NN(C(=O)C1N=NC1=CC(=CC=C1)[N+](C)(C)C)C1C=CC=CC=1 +C=CCCCCCCCC=CCC#N +CCOC(=O)C1C=COC=1C1C=CC=CC=1 +CC(C)C(O)(C1C=NC=NC=1)C1C=CC(=CC=1)OC(F)(F)F +CC(C)CC(O)=O +ClC1C=CC=CC=1 +CC(=O)OC1CCC(CC1)C(C)(C)C +C1CC2=CC=CC3=CC=CC1=C23 +NC1=CC=C(C=C1)N(CCO)CCO.OS(O)(=O)=O +[Na+].CC(O)=O.CC([O-])=O +CCOC(=O)CCCCCCCCC(=O)OCC +CCSCCSP(=S)(OCC)OCC +CC1=CCC(CC=C(CO)CC)C1(C)C +O.O.O.[K+].[K+].[O-]C([O-])=O +CC(=C)C(=O)OCCCC +ClC(Cl)(Cl)C(Cl)(Cl)Cl +CC(C)CCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCC(C)C +[Cl-].[Cl-].C[N+]1C=CC(=CC=1)C1C=C[N+](C)=CC=1 +CC1C=CC(=CC=1)OC +CC1=CC=CC(=C1N)[N+]([O-])=O +CC1CC=CC=CC=CC=CC(CC2OC(O)(CC(O)C2C(O)=O)CC(O)CC2OC2C=CC(=O)O1)OC1OC(C)C(O)C(N)C1O +COC(=O)C1C=CC(O)=CC=1 +CCCCCCCCCCCCCCC1C(=O)OC1=CCCCCCCCCCCCCCC +[Na+].NC(CCC(O)=O)C([O-])=O +CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +[Na+].[Na+].[O-]P([O-])(=O)OCC1OC(C(O)C1O)N1C=NC2=C1NC=NC2=O +CC1=CCC(CC1=O)C(C)=C +COC1=CC2C(C=C1)=NC=CC=2CC1CC2CCN1CC2C=C +CCCN(CCC)S(=O)(=O)C1C=CC(=CC=1)C(O)=O +O=C1CCCCCCCCCCCCCCC1 +CC1C=CC(O)=C(C=1)OCC +C1=CC=CC2C=CC=CC=21 +CC1CCC(CC=1)C(C)CC1CCCC1=O +OC(=O)C1=CC2=C(C=C1)N=C1C=CC=CN1C2=O +CC1C2CC3CC1CC(C2O)C3=C +O=C1CCCOC(=O)CCCCCCCCCC1 +C=CC1C=CC=CC=1 +NCCN +CCCC(=O)OCCCC +CC1OC=CC=1SSCCC +CCNC1N=C(NC(C)(C)C)N=C(N=1)SC +CC(CCl)OC(C)CCl +OC(=O)C(O)C(O)C(O)=O +NC1C=CC=CC=1C(=O)OCC=CC1C=CC=CC=1 +CC1=CC(C)=NN1CO +CC(C)=CCCC(C)=CCCC(C)=CCO +CC(=C)C1CC2(C)C(C)CC(=O)C=C2CC1 +CC1=C(C=CN=C1CS(=O)C1NC2C=CC=CC=2N=1)OCC(F)(F)F +ClCC1CO1 +CCCC(=O)OCC=C +CCC1=CC=C(CC(C)(C)C#N)C=C1 +O=C1CCCCCCCC=CCCCCCC1 +OC(CO)C(O)C(O)C(O)CO +CC(C)OC1C=C(C=CC=1)NC(=O)C1C=CC=CC=1C(F)(F)F +CC(C)NCC(O)COC1=CC=CC2NC3=CC=CC=C3C1=2 +[Na+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C([O-])=O +CCCC1CC(C)(CCO1)OC(C)=O +CCN(CCO)C1=CC(=C(C=C1)NCCO)[N+]([O-])=O +[Na+].[Na+].[O-]C1C(Br)=C2OC3C(=CC(Br)=C([O-])C=3Br)C3(OC(=O)C4=C3C(Cl)=C(Cl)C(Cl)=C4Cl)C2=CC=1Br +C(OCC1C=CC=CC=1)C1C=CC=CC=1 +CC(=O)NC1C=CC=CC=1 +C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 +CC1CCC(=O)O1 +CC1C=CC=CC=1 +CCN(CCCNC(=O)CN1N=CC(=C1C1C=CC=CC=1)C1C=CC=CC=1)CC +CN(C)CCCN1C2=CC=CC=C2SC2C=CC(Cl)=CC1=2 +NS(=O)(=O)C1=CC2=C(C=C1Cl)NCNS2(=O)=O +CCOP(OC1=C(C=C(C=C1C)C(C)(C)C)C(C)(C)C)OC1=C(C=C(C=C1C)C(C)(C)C)C(C)(C)C +CC#N +CCOC(=O)C1C=CC(O)=CC=1 +CC(=O)OCC1=CC=C(C=C1)OC +CC(C)(C)C1C=C(CCC(=O)OCCOCCOCCOC(=O)CCC2C=C(C)C(O)=C(C=2)C(C)(C)C)C=C(C)C=1O +CC(=O)N(CCN(C(C)=O)C(C)=O)C(C)=O +CC(C)C(N)C(O)=O +CC(C)C1CCC(CO)CC1 +CCOP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OCC +[Na+].[Na+].[O-]S(=O)(=O)C1=CC2=C(C=C1)NC(=C1NC3C=CC(=CC=3C1=O)S([O-])(=O)=O)C2=O +CCCC(O)=O +OC(=O)CC1NC(=O)C(CC2C=CC=CC=2)NC1=O +CC1OC(CC(C)O1)OC(C)=O +CNC(=O)ON=CC(C)(C)S(C)(=O)=O +O=CC=O +[Na+].[Na+].[Na+].[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O +N#CC(Cl)(Cl)Cl +OC(=O)CNCP(O)(O)=O +C#CCO +CC1C(C)OC(=O)C=1O +CC1(C)CCCC(=C)C1C(=O)OC +NC(CC1=CNC2C=CC=CC=21)C(O)=O +CC1(C)COC2(CCCC2)OC1C(C)C +Cl.Cl.CC1C(N)=CC=CC=1N +CCCCCC(O)CC +N#CCCC(Br)(CBr)C#N +CC1=CC=C(N)C(Cl)=C1O +CC1(C)CCCC(C)(OC(C)=O)C21CCC(C)O2 +CC(O)C(C)SC(C)C(C)S +COC1C=CC(CC=C)=CC=1 +Cl.Cl.Cl.Cl.NC1C=CC(=CC=1)N(CC(O)CN(CCO)C1C=CC(N)=CC=1)CCO +CNC(=O)ON=C(SC)C(=O)N(C)C +CC1=CCCC(C)(C)C1C=CC(C)=O +O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl +O=S1(=O)CC=CC1 +O=C1OCC2C=CC=CC=21 +CC(CCC1C=CC=CC=1)=CC#N +[Na+].CCC(COC(=O)CC(C(=O)OCC(CCCC)CC)S([O-])(=O)=O)CCCC +COC(=O)C1C=CC(=CC=1)C(=O)OC +CC1(C)C(C1C(=O)OC(C#N)C1C=CC=C(C=1)OC1C=CC=CC=1)C(Br)C(Br)(Br)Br +COC1C=CC=CC=1C=O +CCCCCC=CC=CC=O +[Na+].[Na+].[Na+].[O-]S(=O)(=O)C1=CC2C=CC(O)=C(N=NC3=CC=C(C4C=CC=CC=43)S([O-])(=O)=O)C=2C(=C1)S([O-])(=O)=O +CN1C(=O)C2=C(N=CN2C)N(C)C1=O +CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +CC(C)(C)C1C=C(O)C(O)=CC=1 +CC(C)CC(=O)CC(C)C +CC=CC=CC=O +[Cl-].C[N+](C)(CCCCCCCCCC)CCCCCCCCCC +CCCCNC(=O)N1C(NC(=O)OC)=NC2=CC=CC=C12 +C=O +CC1=CC(=NC(=N1)C(C)C)OP(=S)(OCC)OCC +CCOC(=C)C1C(C)(C)CC(=O)CC1(C)C +NC(=S)NNC(N)=S +CC(=O)OC(C1C=CC=CC=1)C(Cl)(Cl)Cl +CCCCCC#CC(=O)OC +OC(=O)CCl +COC1=CC=C2CC3C4C=CC(O)C5OC1=C2C45CCN3C +[Na+].CC(O)=O.CC([O-])=O +[Na+].[Na+].NC1NC2=C(N=CN2C2OC(COP([O-])([O-])=O)C(O)C2O)C(=O)N=1 +COC1=CC(=CC=C1OC(=O)C(C)C)C=O +C=CCNC1C=CC(N)=CC=1[N+]([O-])=O +C1=CC=C2C=CC=C3C2=C1C1=CC=CC=C31 +CCCCCCCCCCCCCCCCCC(=O)OCCCC +CCCCCCCCO +O=CC=CC1C=CC=CC=1 +CC(C)(C)C1=CC(C)=CC(=C1OP1OCC2(COP(OC3C(=CC(C)=CC=3C(C)(C)C)C(C)(C)C)OC2)CO1)C(C)(C)C +OC1=CC2CCNC=2C=C1O +CNC1C=C(C=CC=1[N+]([O-])=O)OCCO +CC1C(C)(C)C2CCCC3OC(C)(C)CC23C1(C)C +NC1N=C(N)C(N)=C(N=1)OS(O)(=O)=O +OC(=O)C1C=NC=CC=1 +CCOC=O +OC(=O)CCSCCC(O)=O +CC=C1CC2CC1C1CCC(=O)OC12 +COC1C=C(C=CC=1CNC(=O)C(=O)NCCC1C=CC=CN=1)OC +CC(C)=CCCC(C)=CC#N +CCC(CN1C(=O)C2C(C3CC2C=C3)C1=O)CCCC +CCOC(=O)C=CC1C=CC=CC=1 +CC(O)C(C)(C)C=CC1CC=C(C)C1(C)C +OC(=O)C1CCC(CC1)C(O)=O +[O-][N+](=O)C1C=CC=CC=1 +CCCCCCCCCCCCCCC(C)C1C=C(C)C=C(C)C=1O +OCC1C=CC(Cl)=CC=1Cl +CC1C=C(C=CC=1SC)OP(=S)(OC)OC +COP(N)(=O)SC +CC1C(=C(O)C=C2C=1C(=O)C1C(C2=O)=C(O)C(O)=C(C2OC(CO)C(O)C(O)C2O)C=1O)C(O)=O +[Cl-].C[N+]1(C)CCCCC1 +O.O.O.CC1(C)SC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C1C(O)=O +CC(CO)CCCC1C=CC=CC=1 +COC(CC1C=CC=CC=1)OC +CCCCC(CO)CC +NCCCCCCCCCCC(O)=O +COC(=O)C(CC1C=CC=CC=1)NC(=O)C(N)CC(O)=O +CCCCCCCCCCCCCCCCCCOC(=O)CCC1C=C(C(O)=C(C=1)C(C)(C)C)C(C)(C)C +CCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCC +CCCCSP(=O)(SCCCC)SCCCC +NC1=CC=CC=C1C(O)=O +[Na+].[O-]C(=O)C1C=CC=CC=1 +O=C1CCC2=CC=CC=C2O1 +CC1OC(OC2C(OC(CO)C(O)C2O)OC2=CC(O)=C(C(=O)CCC3C=CC(OC)=C(O)C=3)C(O)=C2)C(O)C(O)C1O +CC(CCC=C(C)C)C=O +O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 +CCCCCCCCCCCCCCCCO +CC1(C)C2CCC1(C)C(=O)C2=CC1C=CC(=CC=1)[N+](C)(C)C.COS([O-])(=O)=O +CC(O)(P(O)(O)=O)P(O)(O)=O +CC(O)CN(CC(C)O)CC(C)O +CC(CCCC(C)(C)O)C=C +NC1C=CC(N)=C2C=1C(=O)C1=C(C2=O)C(N)=CC=C1N +COP(=O)(NC(C)=O)SC +CCOC(=O)COC(=O)C1C=CC=CC=1C(=O)OCC +NC1=CC(N)=CC=C1 +OCCOC1C=CC=CC=1 +CC1C=CC(=CC=1C)C1OCC2OC(OC(C2O1)C(O)CO)C1=CC(C)=C(C)C=C1 +COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O +Cl.Cl.NCCNCCNCCN +OC1C=CC=C2C=1C=CC=C2O +C1=CC=CC=C1OC1C=CC=CC=1 +[Na+].CN(C)C1C=CC(=CC=1)C(C1C=CC(=CC=1)N(CC1=CC(=CC=C1)S([O-])(=O)=O)CC)=C1C=CC(C=C1)=[N+](CC1=CC(=CC=C1)S([O-])(=O)=O)CC +CC1CCC(CC=1)C(C)=C +OC1C=CC=CC=1C1C=CC=CC=1 +OCCC1C=CC=CC=1 +OCCN(CCO)CCO +COC1=CC(CC=C)=CC=C1O +CC1=C(C(=O)C2C=CC(=CC=2)OC)C2C=CC=CC=2N1CCN1CCOCC1 +CC1=CCC(C(=C)CC(C)CO)C1(C)C +OC1C=C(C=CC=1O)C(O)=O +ClC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl +CCCCCCCCC=CCCCCCCCC(O)=O +CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O +NC1C=C(C=CC=1O)[N+]([O-])=O +OCC(O)C(O)C(O)C=O +CC1=CC(O)=CC=C1 +CCCCCCCCC=CCCCCCCCCN +CC(CC#N)CCC=C(C)C +S=C1NC2C=CC=CC=2S1 +CN1SC(Cl)=CC1=O.CN1SC=CC1=O diff -r 000000000000 -r 72b687d21f65 test-data/output_all_table.smi --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/output_all_table.smi Tue Mar 22 16:06:54 2022 +0000 @@ -0,0 +1,1000 @@ +1 CC1=CC(=CC=C1SC)OP(=O)(NC(C)C)OCC +2 CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1 +3 CC(C)CC(O)CC(C)C +4 CC(C)=CCCC(C)=CCO +5 CCC(CNC1N=C(NC2C=CC(=CC=2)C2=NC3C=C(C=CC=3O2)C(C)(C)CC)N=C(NC2C=CC(=CC=2)C2=NC3C=C(C=CC=3O2)C(C)(C)CC)N=1)CCCC +6 CC1C=CC2=C(N=1)N(CC)C=C(C(O)=O)C2=O +7 CC(C)NC1=NC(Cl)=NC(NC(C)C)=N1 +8 OC1C=CC(=CC=1)C(O)=O +9 OC1=CC=CC2=CC=CC=C21 +10 OCCCl +11 NC1C=CC(=CC=1)NC1C=CC=CC=1 +12 OCC(Cl)CCl +13 CC1=CN=C(CC)C=N1 +14 CCOC(=O)C1C=CC(=CC=1)N1C(=O)C2=CC=C3C4=C2C(=CC=C4C(=O)N(C2C=CC(=CC=2)C(=O)OCC)C3=O)C1=O +15 NC(CO)(CO)CO +16 [Na+].CC1=CC(N=NC2C=CC(=CC=2)S([O-])(=O)=O)=C(N)C=C1N +17 Cl.Cl.COC(=O)C1C(C(C(=O)OCCN2CCN(CC2)C(C2C=CC=CC=2)C2C=CC=CC=2)=C(C)NC=1C)C1C=C(C=CC=1)[N+]([O-])=O +18 +19 CC(C)C1=CC(=C(C(=C1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O +20 CCC=CCCO +21 +22 O=C(C=CC=CC1=CC2OCOC=2C=C1)N1CCCCC1 +23 +24 COC1(C)CC(OC2C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC3OC(C)CC(C3O)N(C)C)C2C)OC(C)C1O.CCCCCCCCCCCCCCCCCC(O)=O +25 CC1C=CC=CC=1O +26 CCOC(=O)C1CCC(CC1)C(=O)OCC +27 [Na+].O=C[CH-]C=O +28 +29 +30 O=C1NSC2C=CC=CC=21 +31 OC1C=CC2C=CC=CC=2C=1N=NC1C=CC=CC=1 +32 +33 CC=CC1=CC=C(C=C1)OC +34 CC(C)(C)C(O)C(CC1=CC=C(Cl)C=C1)N1C=NC=N1 +35 CSCC(C=O)=CC1C=CC=CC=1 +36 CCCOC(=O)C1C=NC(=CC=1)C(=O)OCCC +37 CC1(C)CC2C1CCC1(C)OC1CCC2=C +38 OC1=CC=C(Cl)C=C1CC1C=CC=CC=1 +39 CC(C)(O)C=C +40 ClC1(Cl)C2(Cl)C3C=CC(Cl)C3C1(Cl)C(Cl)=C2Cl +41 CC(=O)OCC=C +42 CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +43 +44 Cl.OCCNC1=CC2OCOC=2C=C1 +45 OCCOCCOCCO +46 [Na+].[O-]C1C(OC(=O)C=1O)C(O)CO +47 CC(C)C1CCC(C)CC1C(=O)NCC(=O)OCC +48 NCCC1=CC=C(O)C=C1 +49 CC1=CCC(CC1=O)C(C)=C +50 S=C1NCCN1 +51 COC(=O)OC1CCCC=CCC1 +52 CC1C=C(N)C(C)=CC=1C +53 CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC21C +54 COP(=O)(NC)OC1C=CC(=CC=1Cl)C(C)(C)C +55 CC1=CC2C=CC=NC=2C=C1 +56 [Na+].[O-]S(=O)(=O)C1=CC2C=CC(O)=C(N=NC3C=CC=CC=3)C=2C=C1 +57 ClC(Cl)C(Cl)(Cl)Cl +58 OC(=O)C1C(C2CCC1O2)C(O)=O +59 CC(CC1C=CC(=CC=1)C(C)(C)C)CN1CC(C)OC(C)C1 +60 CC(C)CCCC(C)(C)O +61 [Na+].[Na+].[Na+].[Na+].[O-]C([O-])=O.[O-]C([O-])=O.OO.OO.OO +62 ClC1(Cl)C2(Cl)C3CC(Cl)C(Cl)C3C1(Cl)C(Cl)=C2Cl +63 CCCCCC1=CC=CC(=O)O1 +64 [O-][N+](=O)C1=CC=C(C=NN2CC(=O)NC2=O)O1 +65 BrC1C(Br)=C(Br)C(Br)=C(Br)C=1Br +66 [Na+].CCC([O-])=O +67 +68 NC(=O)CCC(N)C(O)=O +69 CC1C=C(C=C(C)C=1N(C)C)OC(=O)NC +70 CCOC(=O)C(C)C +71 CC(C)C1=CC=C(CC(C)C=O)C=C1 +72 CC(C)C12CC1C(C)C(=O)C2 +73 CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +74 CCCC(=O)OCCC(C)C +75 [Cl-].COC1=CC(N=NC2=CC(=CC=C2)[N+](C)(C)C)=C(C=C1N)OC +76 CN1CCCC1=O +77 CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +78 [Na+].[Na+].CC[N+](CC1=CC(=CC=C1)S([O-])(=O)=O)=C1C=CC(C=C1)=C(C1C=CC(O)=CC=1S([O-])(=O)=O)C1C=CC(=CC=1)N(CC1=CC(=CC=C1)S([O-])(=O)=O)CC +79 ClC1C=CC=CC=1C1N=NC(=NN=1)C1C=CC=CC=1Cl +80 CCC1C=CC=C(O)C=1 +81 CC(NC)C(O)C1C=CC=CC=1.CC(NC)C(O)C1C=CC=CC=1.OS(O)(=O)=O +82 CC(=O)OC1CCCCC1C(C)(C)C +83 [Na+].[Na+].CC1C=C(N=NC2=C(O)C=CC3C=C(C=CC=32)S([O-])(=O)=O)C(=CC=1S([O-])(=O)=O)OC +84 COC(=O)OCC +85 CCOP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)C1C=CC=CC=1 +86 COC1C=CC(=CC=1N)NCCO +87 CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CCO +88 NCCO.[O-][N+](=O)C1=CC(Cl)=C(C=C1)NC(=O)C1C=C(Cl)C=CC=1O +89 CC=CC1=CC=C(C=C1)OC +90 CCSC(=O)N1CCCCCC1 +91 CC(C)CCCC(C)CC#N +92 NC1C=CC(=CC=1)N=NC1C=CC(=CC=1)N(CCO)CCO +93 CC1CC2C(C(=O)O1)=C(O)C(=CC=2Cl)C(=O)NC(CC1C=CC=CC=1)C(O)=O +94 CC(CO)C1C=CC=CC=1 +95 CN(C)C(=O)NC1=CC(=CC=C1)C(F)(F)F +96 CC(C)N(C(=O)CCl)C1C=CC=CC=1 +97 Cl.NC1C=CC(=CC=1[N+]([O-])=O)N(CCO)CCO +98 CCSC(=O)N(CC(C)C)CC(C)C +99 +100 OCC(=O)CO +101 +102 +103 +104 CC(N)=O +105 +106 CC(C)(C)C1=CC(CCC(=O)NNC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C +107 Cl.NC(CCC(O)=O)C(O)=O +108 CO +109 CC(Cl)CCl +110 CCCCCCCCOC(C)=O +111 CC(COC(=O)C1C=CC=CC=1)OC(=O)C1C=CC=CC=1 +112 CC(=CC1C(C)=CCCC1(C)C)C(C)=O +113 CCNC1=CC(=CC(Cl)=C1O)[N+]([O-])=O +114 COC(=O)NS(=O)(=O)C1C=CC(N)=CC=1 +115 +116 CC=C(C)C1CCC(C)(C)O1 +117 N#CC1=CC(Br)=C(O)C(Br)=C1 +118 C=C(Cl)Cl +119 CCCC1=CC2OCOC=2C=C1 +120 CCCCCC(C=O)=CC1C=CC=CC=1 +121 CC(=O)OC(C)(C)C +122 COC(=O)NC1NC2C=CC=CC=2N=1 +123 CC1(C=C)OC(=O)N(C2C=C(Cl)C=C(Cl)C=2)C1=O +124 CN1C2N=CN(C)C=2C(=O)NC1=O +125 CCOC(=O)C(C)C=C=C +126 CC1=CC(=CC=C1N=NC1C=CC(=CC=1)[N+]([O-])=O)N(CCO)CCO +127 COP(=S)(OC)SCN1N=NC2C=CC=CC=2C1=O +128 NC1C(Cl)=C(N=C(Cl)C=1Cl)C(O)=O +129 CC1C=CC=C(CC)C=1N(C(C)COC)C(=O)CCl +130 CC1C2=CC=CC=C2OC=1C(C)=O +131 CC1C=NC=CC=1 +132 COP(=O)(OC(=CCl)C1=CC(Cl)=C(Cl)C=C1Cl)OC +133 CC(C)=CC1C(C(=O)OCN2C(=O)C3CCCCC=3C2=O)C1(C)C +134 OC1C=CC=CC=1 +135 CCCCCC(=O)OCC=C +136 +137 C=CC1(CC=CCC1)C=O +138 CN1C=C(C(=O)C(=C1)C1C=CC=CC=1)C1=CC(=CC=C1)C(F)(F)F +139 OC1=CC(O)=C(Cl)C=C1 +140 +141 CC(=O)C(C)C(=C)C(C)C(C)(C)C +142 C=CCCCCCCCCC(O)=O +143 OC(C(=O)C1C=CC=CC=1)C1C=CC=CC=1 +144 CC1C(C)(C)C2CCC3CC(C)(C)OC3C2C1(C)C +145 CCCCC(COC(=O)C1C=CC=CC=1C(=O)OCC(CCCC)CC)CC +146 ClC(Br)Br +147 CC(C)O +148 CCCCCCCCCCCCCC(=O)OC +149 ClCCl +150 C=C(C1CCCCC1)C(=O)CCC=C +151 +152 +153 CC1(C)C(=O)N(CO)C(=O)N1CO +154 CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O +155 C1=CC=CC=N1 +156 OC(CO)CO +157 Cl.Cl.NC1=CC(CC2C=C(N)C=CC=2O)=C(O)C=C1 +158 CCOC(=O)C(CC(=O)OCC)SP(=O)(OC)OC +159 CC1CC(=O)CCCCCCCCCCCC1 +160 O=CC1=CC=CO1 +161 CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C +162 CNC(=O)ON=CC(C)(C)SC +163 NC1=CC(=C(N)C=C1)[N+]([O-])=O +164 [Na+].[O-]S(=O)(=O)NC1CCCCC1 +165 CC(=O)CCC1C=CC=CC=1 +166 CCP(=S)(OCC)SC1C=CC=CC=1 +167 COC1C=CC(CC=C)=CC=1OC +168 COCN(C(=O)CCl)C1C(CC)=CC=CC=1CC +169 C1=C(C=CC2C=CC=CC=21)NC1C=CC=CC=1 +170 +171 OC1C2OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(OC(OC2CO)C1O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O +172 +173 [Na+].[O-]C(=O)CF +174 CCCCOC(C)=O +175 CCOC(=O)C1C=CC=CC=1C(=O)OCC +176 OC1C=CC(Cl)=CC=1Cl +177 C1COCCN1 +178 SC1=CC2C=CC=CC=2C=C1 +179 [Na+].[Na+].NC1C=C(C=C2C=C(C(N=NC3C=CC=CC=3)=C(O)C2=1)S([O-])(=O)=O)S([O-])(=O)=O +180 CCC12CC3CC1C2C3OC +181 CCCC1=CC=C(C=C1)OC +182 CC(Cl)(Cl)Cl +183 CC(C)OC(=O)C(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1 +184 ClCCCl +185 CC(O)=O +186 CC(C)(Cl)OC(C)(C)Cl +187 O=C(OC(COC(=O)C1C=CC=CC=1)COC(=O)C1C=CC=CC=1)C1C=CC=CC=1 +188 CCN(CC)C(=S)SSC(=S)N(CC)CC +189 C=CC(N)=O +190 CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC +191 CC(C)(CC)C1CCC(CC1)OCC +192 CCOC(=O)CC1(C)OCCO1 +193 CC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O +194 CCCCCCC(C=O)=CC1C=CC=CC=1 +195 Cl.CC1N=CC(CO)=C(CO)C=1O +196 CC1CCC(CC=1)C(C)(C)OC(C)=O +197 CC(C)C1CCC(C)CC1=O +198 CC(C)(O)CCCC1CCC(CC=1)C=O +199 Cl.NC1=C(Cl)C(O)=CC=C1Cl +200 Cl.COC1C=CC2N=CC=C(C(O)C3CC4CCN3CC4C=C)C=2C=1 +201 CC(C)(C#N)OC1OC(CO)C(O)C(O)C1O +202 CC(=O)C1C=CC=CN=1 +203 +204 [Cl-].C[N+](C)(C)C1=CC2C(N=NC3C=CC=CC=3OC)=C(O)C=CC=2C=C1 +205 CC1C=C(C=CC=1)N(CC)C(=O)CC +206 CBr +207 C=CC#N +208 [O-][N+](=O)C1C=C(C=CC=1NCCO)OCC(O)CO +209 CC1(C)C2CCC1(C)C(=O)C2=CC1C=CC=CC=1 +210 OCCOCCO +211 OC1C=CC=CC=1C(O)=O +212 CC=O +213 O=C1CCCCCN1 +214 CC(C)OC(=O)NC1C=CC=CC=1 +215 CC(C)CCO +216 COP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC +217 C1=CC=CC2NN=NC=21 +218 COC(=O)NC1NC2=CC(=CC=C2N=1)SC1C=CC=CC=1 +219 CCCCCCCCC(O)=O +220 CC(=O)NC1=CC(N)=C(C=C1)OCC +221 C=CCCCCCCCCC=O +222 O=C(OCC1C=CC=CC=1)C1C=CC=CC=1 +223 C1OC1C1C=CC=CC=1 +224 CN(C)C1C=CC=CC=1 +225 NC1C=C(O)C=CC=1 +226 CCC1CCC(=O)C=1O +227 [Na+].[O-]C(=O)CNCO +228 [Na+].NC1C=C(C=C(C=1[O-])[N+]([O-])=O)[N+]([O-])=O +229 CC1CC(=O)OC1CCCCCC +230 +231 OC1=CC(O)=CC=C1 +232 [O-][N+](=O)C1=CC(O)=CC=C1NCCCO +233 CC(C)(C)C(=O)C(OC1C=CC(Cl)=CC=1)N1C=NC=N1 +234 CC1=CC(C)=C(C=C1)C(C)=O +235 CC1=CC=C(C=C1)C=C +236 CC1N=CSC=1CCO +237 [Na+].[Na+].CC1=CC(=C(C=C1)NC1=CC=C(NC2=CC=C(C)C=C2S([O-])(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S([O-])(=O)=O +238 COC(=O)OC +239 CC(C)C12CC1C(C)C(=O)C2 +240 CC(C)=CC=O +241 [O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O +242 CC(CO)C1CCC(C)(C)C23CC(CC2)C(C)(C)C3=1 +243 CNC1C=CC(=CC=1[N+]([O-])=O)N(CCO)CCO +244 CCCCCCCOC(=O)C1C=CC(O)=CC=1 +245 [Cl-].C[N+](C)(C)C1C=C2C(N=NC3=CC(=C(N)C=C3)[N+]([O-])=O)=C(O)C=CC2=CC=1 +246 O.O.O.CC(N)(CC1=CC(O)=C(O)C=C1)C(O)=O.CC(N)(CC1=CC(O)=C(O)C=C1)C(O)=O +247 CCCCCCC(O)=O +248 +249 COC(N)=O +250 [K+].CC=CC=CC([O-])=O +251 +252 C1N2CN3CN1CN(C2)C3 +253 CC1C2=CC=C(C=C2OC(=O)C=1Cl)OP(=S)(OCC)OCC +254 CC(CC1CC(O)=C(C(=O)C1)C(CCC)=NOCC)SCC +255 COC(=O)C1C=CC=CC=1O +256 NC1C=CC(O)=CC=1[N+]([O-])=O +257 [Br-].[Br-].C1C[N+]2=CC=CC=C2C2C=CC=C[N+]=21 +258 OC1OCC=C2OC(=O)C=C21 +259 CCCC1COC(CN2C=NC=N2)(O1)C1=CC=C(Cl)C=C1Cl +260 CC1(C)C2CCC(C)C32CC1C(C)(O)CC3 +261 COC(=O)C1C=CC=CC=1N +262 CC1=CC(CCCOP2OC3C(=CC(=CC=3C3=CC(=CC(=C3O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C +263 CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O +264 COP(=O)OC +265 C(C1=CC=CO1)N1C=CC=C1 +266 CNC1C=CC=CC=1C(=O)OC +267 CCCCCC(=O)OCC +268 O.[K+].[K+].[K+].[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O +269 +270 OC1C=C2C=C(O)C=CC2=CC=1 +271 CC(CCO)CCC=C(C)C +272 CCCCOC(=O)C1C=CC=CC=1C(=O)OCC1C=CC=CC=1 +273 CCCCC(C)O +274 CCCCNC(=O)OCC#CI +275 CC(=NOC(=O)NC)SC +276 NC1=CC(N)=C(C=C1)OCCCOC1C=CC(N)=CC=1N +277 CP(=O)(OC)OC +278 CC1COC(=O)O1 +279 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C(C)=C(C)C(OC(C)=O)=C2C +280 CC1C=C(O)C=CC=1C +281 C=CC(=O)NCO +282 [Na+].[Na+].[Na+].[O-]S(=O)(=O)C1=CC2C=C(C=CC=2C(N=NC2=CC=C(C3C=CC=CC=32)S([O-])(=O)=O)=C1O)S([O-])(=O)=O +283 +284 CC1C=CC=C(C)C=1O +285 CC1CCC(CC=1)C(C)=C +286 OC(=O)CBr +287 CC1(C)C(C)C(C)(C)C2C=C3COCC(C)C3=CC1=2 +288 ClC1C=CC(Cl)=CC=1 +289 CC(C)C1CCC(C)CC1O +290 +291 NC(CS)C(O)=O +292 +293 CC(OC(C)(C)CC)C(=O)OCCC +294 CC1C=C(O)C=C(C)C=1Cl +295 C1C(N=C2SCCN21)C1C=CC=CC=1 +296 CN(C=NC1=CC=C(C)C=C1C)C=NC1=CC=C(C)C=C1C +297 CC1CC=CCCCCCCCCCC(=O)C1 +298 CC1(C)C(C1C=C(Cl)C(F)(F)F)C(=O)OCC1C=CC=C(C2C=CC=CC=2)C=1C +299 CC(O)CCO +300 +301 COC1C2OC=CC=2C=C2C=CC(=O)OC2=1 +302 OC(=O)COC1C=CC(Cl)=CC=1Cl +303 CCCCCCCCCCCCCCCC(=O)OC +304 [Cl-].C[N+]12CN3CN(C1)CN(C2)C3 +305 C1=CNC2=CC=CC=C21 +306 CC(C)(C)C1C=CC(=CC=1)C(O)=O +307 CCCCCCCCC=CCCCCCCCC(=O)OCC +308 CCCCCC=CC=CC=O +309 +310 CC(C)(C)C1=CC=C(C=C1)OC1CCCCC1OS(=O)OCC#C +311 CC1=CC2=CC=CC=C2C=C1 +312 NC1CCCCC1 +313 +314 NC(=N)NCCCC(N)C(O)=O +315 CCCCCCCCCCCCO +316 [Na+].[O-]C(=O)C1C=C(C=CC=1[N+]([O-])=O)OC1C=CC(=CC=1Cl)C(F)(F)F +317 [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C +318 CCCCOC(=O)C1C=CC=CC=1C(=O)OCCCC +319 [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C(N=NC2C=C(C3C=CC=CC=3C=2O)S([O-])(=O)=O)C2C=CC=CC=21 +320 [Na+].[O-]C1C(OC(=O)C=1O)C(O)CO +321 OC(=O)C(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1 +322 CNC(=O)CSP(=S)(OC)OC +323 CN(C)NC(=O)CCC(O)=O +324 ClC1=CC=CC=C1NC1N=C(Cl)N=C(Cl)N=1 +325 [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 +326 NC(N)=O.NC(N)=O.OS(O)(=O)=O +327 CC(C)C(=O)OCC(C)C +328 [NH4+].CC1(C)C2CCC3(C)C(C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C([O-])=O)C2(C)CCC1OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O +329 Cl.CN(C)C(C)CN1C2=CC=CC=C2SC2C=CC=CC1=2 +330 NC(CO)C(O)=O +331 OCC(O)C(O)C(O)C(O)C=O +332 +333 CC(=O)OCCC1C=CC=CC=1 +334 OC1C=CC(O)=CC=1 +335 OCC(O)=O +336 CC1C=CC(C)=C(O)C=1C +337 [Cl-].CC1=NN(C(=O)C1N=NC1=CC(=CC=C1)[N+](C)(C)C)C1C=CC=CC=1 +338 C=CCCCCCCCC=CCC#N +339 CCOC(=O)C1C=COC=1C1C=CC=CC=1 +340 CC(C)C(O)(C1C=NC=NC=1)C1C=CC(=CC=1)OC(F)(F)F +341 CC(C)CC(O)=O +342 ClC1C=CC=CC=1 +343 CC(=O)OC1CCC(CC1)C(C)(C)C +344 C1CC2=CC=CC3=CC=CC1=C23 +345 NC1=CC=C(C=C1)N(CCO)CCO.OS(O)(=O)=O +346 +347 [Na+].CC(O)=O.CC([O-])=O +348 CCOC(=O)CCCCCCCCC(=O)OCC +349 CCSCCSP(=S)(OCC)OCC +350 CC1=CCC(CC=C(CO)CC)C1(C)C +351 O.O.O.[K+].[K+].[O-]C([O-])=O +352 CC(=C)C(=O)OCCCC +353 ClC(Cl)(Cl)C(Cl)(Cl)Cl +354 CC(C)CCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCC(C)C +355 [Cl-].[Cl-].C[N+]1C=CC(=CC=1)C1C=C[N+](C)=CC=1 +356 CC1C=CC(=CC=1)OC +357 CC1=CC=CC(=C1N)[N+]([O-])=O +358 CC1CC=CC=CC=CC=CC(CC2OC(O)(CC(O)C2C(O)=O)CC(O)CC2OC2C=CC(=O)O1)OC1OC(C)C(O)C(N)C1O +359 COC(=O)C1C=CC(O)=CC=1 +360 CCCCCCCCCCCCCCC1C(=O)OC1=CCCCCCCCCCCCCCC +361 [Na+].NC(CCC(O)=O)C([O-])=O +362 CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +363 [Na+].[Na+].[O-]P([O-])(=O)OCC1OC(C(O)C1O)N1C=NC2=C1NC=NC2=O +364 CC1=CCC(CC1=O)C(C)=C +365 COC1=CC2C(C=C1)=NC=CC=2CC1CC2CCN1CC2C=C +366 CCCN(CCC)S(=O)(=O)C1C=CC(=CC=1)C(O)=O +367 +368 O=C1CCCCCCCCCCCCCCC1 +369 CC1C=CC(O)=C(C=1)OCC +370 C1=CC=CC2C=CC=CC=21 +371 CC1CCC(CC=1)C(C)CC1CCCC1=O +372 OC(=O)C1=CC2=C(C=C1)N=C1C=CC=CN1C2=O +373 CC1C2CC3CC1CC(C2O)C3=C +374 O=C1CCCOC(=O)CCCCCCCCCC1 +375 C=CC1C=CC=CC=1 +376 NCCN +377 CCCC(=O)OCCCC +378 CC1OC=CC=1SSCCC +379 +380 CCNC1N=C(NC(C)(C)C)N=C(N=1)SC +381 CC(CCl)OC(C)CCl +382 OC(=O)C(O)C(O)C(O)=O +383 NC1C=CC=CC=1C(=O)OCC=CC1C=CC=CC=1 +384 CC1=CC(C)=NN1CO +385 CC(C)=CCCC(C)=CCCC(C)=CCO +386 CC(=C)C1CC2(C)C(C)CC(=O)C=C2CC1 +387 CC1=C(C=CN=C1CS(=O)C1NC2C=CC=CC=2N=1)OCC(F)(F)F +388 ClCC1CO1 +389 CCCC(=O)OCC=C +390 CCC1=CC=C(CC(C)(C)C#N)C=C1 +391 O=C1CCCCCCCC=CCCCCCC1 +392 OC(CO)C(O)C(O)C(O)CO +393 CC(C)OC1C=C(C=CC=1)NC(=O)C1C=CC=CC=1C(F)(F)F +394 CC(C)NCC(O)COC1=CC=CC2NC3=CC=CC=C3C1=2 +395 [Na+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C([O-])=O +396 CCCC1CC(C)(CCO1)OC(C)=O +397 CCN(CCO)C1=CC(=C(C=C1)NCCO)[N+]([O-])=O +398 [Na+].[Na+].[O-]C1C(Br)=C2OC3C(=CC(Br)=C([O-])C=3Br)C3(OC(=O)C4=C3C(Cl)=C(Cl)C(Cl)=C4Cl)C2=CC=1Br +399 C(OCC1C=CC=CC=1)C1C=CC=CC=1 +400 CC(=O)NC1C=CC=CC=1 +401 C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 +402 CC1CCC(=O)O1 +403 CC1C=CC=CC=1 +404 CCN(CCCNC(=O)CN1N=CC(=C1C1C=CC=CC=1)C1C=CC=CC=1)CC +405 CN(C)CCCN1C2=CC=CC=C2SC2C=CC(Cl)=CC1=2 +406 +407 +408 NS(=O)(=O)C1=CC2=C(C=C1Cl)NCNS2(=O)=O +409 CCOP(OC1=C(C=C(C=C1C)C(C)(C)C)C(C)(C)C)OC1=C(C=C(C=C1C)C(C)(C)C)C(C)(C)C +410 CC#N +411 CCOC(=O)C1C=CC(O)=CC=1 +412 CC(=O)OCC1=CC=C(C=C1)OC +413 CC(C)(C)C1C=C(CCC(=O)OCCOCCOCCOC(=O)CCC2C=C(C)C(O)=C(C=2)C(C)(C)C)C=C(C)C=1O +414 CC(=O)N(CCN(C(C)=O)C(C)=O)C(C)=O +415 CC(C)C(N)C(O)=O +416 CC(C)C1CCC(CO)CC1 +417 CCOP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OCC +418 +419 [Na+].[Na+].[O-]S(=O)(=O)C1=CC2=C(C=C1)NC(=C1NC3C=CC(=CC=3C1=O)S([O-])(=O)=O)C2=O +420 CCCC(O)=O +421 OC(=O)CC1NC(=O)C(CC2C=CC=CC=2)NC1=O +422 CC1OC(CC(C)O1)OC(C)=O +423 CNC(=O)ON=CC(C)(C)S(C)(=O)=O +424 +425 O=CC=O +426 [Na+].[Na+].[Na+].[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O +427 N#CC(Cl)(Cl)Cl +428 OC(=O)CNCP(O)(O)=O +429 C#CCO +430 CC1C(C)OC(=O)C=1O +431 CC1(C)CCCC(=C)C1C(=O)OC +432 +433 +434 NC(CC1=CNC2C=CC=CC=21)C(O)=O +435 CC1(C)COC2(CCCC2)OC1C(C)C +436 Cl.Cl.CC1C(N)=CC=CC=1N +437 CCCCCC(O)CC +438 N#CCCC(Br)(CBr)C#N +439 CC1=CC=C(N)C(Cl)=C1O +440 +441 CC1(C)CCCC(C)(OC(C)=O)C21CCC(C)O2 +442 CC(O)C(C)SC(C)C(C)S +443 COC1C=CC(CC=C)=CC=1 +444 Cl.Cl.Cl.Cl.NC1C=CC(=CC=1)N(CC(O)CN(CCO)C1C=CC(N)=CC=1)CCO +445 CNC(=O)ON=C(SC)C(=O)N(C)C +446 +447 CC1=CCCC(C)(C)C1C=CC(C)=O +448 O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl +449 O=S1(=O)CC=CC1 +450 O=C1OCC2C=CC=CC=21 +451 CC(CCC1C=CC=CC=1)=CC#N +452 [Na+].CCC(COC(=O)CC(C(=O)OCC(CCCC)CC)S([O-])(=O)=O)CCCC +453 COC(=O)C1C=CC(=CC=1)C(=O)OC +454 CC1(C)C(C1C(=O)OC(C#N)C1C=CC=C(C=1)OC1C=CC=CC=1)C(Br)C(Br)(Br)Br +455 COC1C=CC=CC=1C=O +456 CCCCCC=CC=CC=O +457 [Na+].[Na+].[Na+].[O-]S(=O)(=O)C1=CC2C=CC(O)=C(N=NC3=CC=C(C4C=CC=CC=43)S([O-])(=O)=O)C=2C(=C1)S([O-])(=O)=O +458 CN1C(=O)C2=C(N=CN2C)N(C)C1=O +459 CC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1C=CC=CC=1)C(C)CC)C(O)=O +460 CC(C)(C)C1C=C(O)C(O)=CC=1 +461 CC(C)CC(=O)CC(C)C +462 CC=CC=CC=O +463 [Cl-].C[N+](C)(CCCCCCCCCC)CCCCCCCCCC +464 +465 CCCCNC(=O)N1C(NC(=O)OC)=NC2=CC=CC=C12 +466 C=O +467 CC1=CC(=NC(=N1)C(C)C)OP(=S)(OCC)OCC +468 CCOC(=C)C1C(C)(C)CC(=O)CC1(C)C +469 NC(=S)NNC(N)=S +470 CC(=O)OC(C1C=CC=CC=1)C(Cl)(Cl)Cl +471 CCCCCC#CC(=O)OC +472 +473 OC(=O)CCl +474 COC1=CC=C2CC3C4C=CC(O)C5OC1=C2C45CCN3C +475 [Na+].CC(O)=O.CC([O-])=O +476 [Na+].[Na+].NC1NC2=C(N=CN2C2OC(COP([O-])([O-])=O)C(O)C2O)C(=O)N=1 +477 COC1=CC(=CC=C1OC(=O)C(C)C)C=O +478 C=CCNC1C=CC(N)=CC=1[N+]([O-])=O +479 C1=CC=C2C=CC=C3C2=C1C1=CC=CC=C31 +480 CCCCCCCCCCCCCCCCCC(=O)OCCCC +481 +482 CCCCCCCCO +483 O=CC=CC1C=CC=CC=1 +484 +485 CC(C)(C)C1=CC(C)=CC(=C1OP1OCC2(COP(OC3C(=CC(C)=CC=3C(C)(C)C)C(C)(C)C)OC2)CO1)C(C)(C)C +486 OC1=CC2CCNC=2C=C1O +487 CNC1C=C(C=CC=1[N+]([O-])=O)OCCO +488 CC1C(C)(C)C2CCCC3OC(C)(C)CC23C1(C)C +489 NC1N=C(N)C(N)=C(N=1)OS(O)(=O)=O +490 OC(=O)C1C=NC=CC=1 +491 CCOC=O +492 OC(=O)CCSCCC(O)=O +493 CC=C1CC2CC1C1CCC(=O)OC12 +494 COC1C=C(C=CC=1CNC(=O)C(=O)NCCC1C=CC=CN=1)OC +495 CC(C)=CCCC(C)=CC#N +496 CCC(CN1C(=O)C2C(C3CC2C=C3)C1=O)CCCC +497 CCOC(=O)C=CC1C=CC=CC=1 +498 CC(O)C(C)(C)C=CC1CC=C(C)C1(C)C +499 OC(=O)C1CCC(CC1)C(O)=O +500 [O-][N+](=O)C1C=CC=CC=1 +501 CCCCCCCCCCCCCCC(C)C1C=C(C)C=C(C)C=1O +502 OCC1C=CC(Cl)=CC=1Cl +503 CC1C=C(C=CC=1SC)OP(=S)(OC)OC +504 +505 COP(N)(=O)SC +506 CC1C(=C(O)C=C2C=1C(=O)C1C(C2=O)=C(O)C(O)=C(C2OC(CO)C(O)C(O)C2O)C=1O)C(O)=O +507 [Cl-].C[N+]1(C)CCCCC1 +508 O.O.O.CC1(C)SC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C1C(O)=O +509 CC(CO)CCCC1C=CC=CC=1 +510 COC(CC1C=CC=CC=1)OC +511 CCCCC(CO)CC +512 NCCCCCCCCCCC(O)=O +513 COC(=O)C(CC1C=CC=CC=1)NC(=O)C(N)CC(O)=O +514 CCCCCCCCCCCCCCCCCCOC(=O)CCC1C=C(C(O)=C(C=1)C(C)(C)C)C(C)(C)C +515 CCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCC +516 CCCCSP(=O)(SCCCC)SCCCC +517 +518 NC1=CC=CC=C1C(O)=O +519 [Na+].[O-]C(=O)C1C=CC=CC=1 +520 O=C1CCC2=CC=CC=C2O1 +521 CC1OC(OC2C(OC(CO)C(O)C2O)OC2=CC(O)=C(C(=O)CCC3C=CC(OC)=C(O)C=3)C(O)=C2)C(O)C(O)C1O +522 CC(CCC=C(C)C)C=O +523 +524 O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 +525 CCCCCCCCCCCCCCCCO +526 CC1(C)C2CCC1(C)C(=O)C2=CC1C=CC(=CC=1)[N+](C)(C)C.COS([O-])(=O)=O +527 CC(O)(P(O)(O)=O)P(O)(O)=O +528 CC(O)CN(CC(C)O)CC(C)O +529 CC(CCCC(C)(C)O)C=C +530 NC1C=CC(N)=C2C=1C(=O)C1=C(C2=O)C(N)=CC=C1N +531 COP(=O)(NC(C)=O)SC +532 CCOC(=O)COC(=O)C1C=CC=CC=1C(=O)OCC +533 NC1=CC(N)=CC=C1 +534 OCCOC1C=CC=CC=1 +535 CC1C=CC(=CC=1C)C1OCC2OC(OC(C2O1)C(O)CO)C1=CC(C)=C(C)C=C1 +536 COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O +537 Cl.Cl.NCCNCCNCCN +538 OC1C=CC=C2C=1C=CC=C2O +539 C1=CC=CC=C1OC1C=CC=CC=1 +540 [Na+].CN(C)C1C=CC(=CC=1)C(C1C=CC(=CC=1)N(CC1=CC(=CC=C1)S([O-])(=O)=O)CC)=C1C=CC(C=C1)=[N+](CC1=CC(=CC=C1)S([O-])(=O)=O)CC +541 CC1CCC(CC=1)C(C)=C +542 OC1C=CC=CC=1C1C=CC=CC=1 +543 OCCC1C=CC=CC=1 +544 OCCN(CCO)CCO +545 COC1=CC(CC=C)=CC=C1O +546 CC1=C(C(=O)C2C=CC(=CC=2)OC)C2C=CC=CC=2N1CCN1CCOCC1 +547 CC1=CCC(C(=C)CC(C)CO)C1(C)C +548 OC1C=C(C=CC=1O)C(O)=O +549 ClC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl +550 CCCCCCCCC=CCCCCCCCC(O)=O +551 +552 CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O +553 NC1C=C(C=CC=1O)[N+]([O-])=O +554 OCC(O)C(O)C(O)C=O +555 +556 CC1=CC(O)=CC=C1 +557 CCCCCCCCC=CCCCCCCCCN +558 CC(CC#N)CCC=C(C)C +559 S=C1NC2C=CC=CC=2S1 +560 +561 +562 +563 +564 +565 +566 +567 +568 +569 +570 +571 +572 +573 +574 +575 +576 +577 +578 +579 +580 +581 +582 +583 +584 +585 +586 +587 +588 +589 +590 +591 +592 +593 +594 +595 +596 +597 +598 +599 +600 +601 +602 +603 +604 +605 +606 +607 +608 +609 +610 +611 +612 +613 +614 +615 +616 +617 +618 +619 +620 +621 +622 +623 +624 +625 +626 +627 +628 +629 +630 +631 +632 +633 +634 +635 +636 +637 +638 +639 +640 +641 +642 +643 +644 +645 +646 +647 +648 +649 +650 +651 +652 +653 +654 +655 +656 +657 +658 +659 +660 +661 +662 +663 +664 +665 +666 +667 +668 +669 +670 +671 +672 +673 +674 +675 +676 +677 +678 +679 +680 +681 +682 CN1SC(Cl)=CC1=O.CN1SC=CC1=O +683 +684 +685 +686 +687 +688 +689 +690 +691 +692 +693 +694 +695 +696 +697 +698 +699 +700 +701 +702 +703 +704 +705 +706 +707 +708 +709 +710 +711 +712 +713 +714 +715 +716 +717 +718 +719 +720 +721 +722 +723 +724 +725 +726 +727 +728 +729 +730 +731 +732 +733 +734 +735 +736 +737 +738 +739 +740 +741 +742 +743 +744 +745 +746 +747 +748 +749 +750 +751 +752 +753 +754 +755 +756 +757 +758 +759 +760 +761 +762 +763 +764 +765 +766 +767 +768 +769 +770 +771 +772 +773 +774 +775 +776 +777 +778 +779 +780 +781 +782 +783 +784 +785 +786 +787 +788 +789 +790 +791 +792 +793 +794 +795 +796 +797 +798 +799 +800 +801 +802 +803 +804 +805 +806 +807 +808 +809 +810 +811 +812 +813 +814 +815 +816 +817 +818 +819 +820 +821 +822 +823 +824 +825 +826 +827 +828 +829 +830 +831 +832 +833 +834 +835 +836 +837 +838 +839 +840 +841 +842 +843 +844 +845 +846 +847 +848 +849 +850 +851 +852 +853 +854 +855 +856 +857 +858 +859 +860 +861 +862 +863 +864 +865 +866 +867 +868 +869 +870 +871 +872 +873 +874 +875 +876 +877 +878 +879 +880 +881 +882 +883 +884 +885 +886 +887 +888 +889 +890 +891 +892 +893 +894 +895 +896 +897 +898 +899 +900 +901 +902 +903 +904 +905 +906 +907 +908 +909 +910 +911 +912 +913 +914 +915 +916 +917 +918 +919 +920 +921 +922 +923 +924 +925 +926 +927 +928 +929 +930 +931 +932 +933 +934 +935 +936 +937 +938 +939 +940 +941 +942 +943 +944 +945 +946 +947 +948 +949 +950 +951 +952 +953 +954 +955 +956 +957 +958 +959 +960 +961 +962 +963 +964 +965 +966 +967 +968 +969 +970 +971 +972 +973 +974 +975 +976 +977 +978 +979 +980 +981 +982 +983 +984 +985 +986 +987 +988 +989 +990 +991 +992 +993 +994 +995 +996 +997 +998 +999 +1000