diff test-data/output_all.smi @ 0:72b687d21f65 draft

"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
author recetox
date Tue, 22 Mar 2022 16:06:54 +0000
parents
children
line wrap: on
line diff
--- /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