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HR-machine

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ClinTox

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CC[N+](CC)(CC)CCOc1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC

CC[NH+](CC)C(C)C(=O)c1ccccc1

CC[NH+](CC)CC(=O)Nc1c(cccc1C)C

CC[NH+](CC)CCNC(=O)c1cc(c(cc1OC)N)Cl

CC[NH+](CC)CCNC(=O)c1ccc(cc1)N

CC[NH+](CC)CCOC(=O)c1ccc(cc1)N

CC[NH+](CC)CCOC(=O)c1ccc(cc1Cl)N

CCC(C(c1ccc(c(c1)O)O)O)[NH2+]C(C)C

CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)[O-]

CCC(Cc1c(cc(c(c1I)N)I)I)C(=O)[O-]

CCC[NH+](CC)C(CC)C(=O)Nc1c(cccc1C)C

CCC[NH2+]C(C)C(=O)Nc1ccccc1C

CCCC(=O)Nc1c(cc(c(c1I)CC(CC)C(=O)[O-])I)I

CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(C[NH2+]C(C)C)O

CCCCC(CC)COC(=O)/C=C/c1ccc(cc1)OC

CCCCCCC[NH+](CC)CCCC(c1ccc(cc1)NS(=O)(=O)C)O

CCCCCCCCc1ccc(cc1)CCC(CO)(CO)[NH3+]

CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO

CCCCNC(=O)[N-]S(=O)(=O)c1ccc(cc1)C

CCCCNc1ccc(cc1)C(=O)OCC[NH+](C)C

CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC

CCCCOc1cc(ccc1N)C(=O)OCC[NH+](CC)CC

CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)[O-]

CCCNC(=O)[N-]S(=O)(=O)c1ccc(cc1)Cl

CCCOc1cc(ccc1C(=O)OCC[NH+](CC)CC)N

CCCOc1ccc(cc1N)C(=O)OCC[NH+](CC)CC

CCN(C)C(=O)Oc1cccc(c1)[C@H](C)[NH+](C)C

CCN(c1ccccc1C)C(=O)/C=C/C

CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O)[O-])[N+](=O)[O-])/C#N

CCN(CC)CC(=O)NC1=C(C=CC=C1C)C

CCOC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/c1c(cc(c(c1C)C)OC)C

CCOC(=O)[C@](C)(Cc1ccc(c(c1)O)O)[NH3+]

CCOC(=O)C(C)(C)Oc1ccc(cc1)Cl

CCOC(=O)CCCCCCCCC(C)c1ccccc1I

CCOc1ccc(cc1)CC(CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]

CN(C)/C=[NH+]/c1c(cc(c(c1I)CCC(=O)[O-])I)I

CN(CC(CO)O)C(=O)c1c(c(c(c(c1I)NC(=O)COC)I)C(=O)NCC(CO)O)I

CN/C(=[NH+]\C)/NCc1ccccc1

COC(CNC(=O)c1ccccc1OCC(=O)[O-])C[Hg]O

COC(=O)c1ccccc1O

COc1ccc(c(c1)C(CNC(=O)C[NH3+])O)OC

COc1ccc(cc1)O

COc1ccccc1OCC(CO)O

COc1ccccc1OCC(COC(=O)N)O

COCCCC/C(=N\OCC[NH3+])/c1ccc(cc1)C(F)(F)F

*C(=O)[C@H](CCCCNC(=O)OCCOC)NC(=O)OCCOC

[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O

[N+](=O)([O-])[O-]

[N]=O

[O-][99Tc](=O)(=O)=O

[O-]P(=O)([O-])F

[O-]S(=O)(=O)[O-]

[O-]S(=O)(=S)[O-]

[Se]

C#N

C(#N)[Fe-2](C#N)(C#N)(C#N)(C#N)N=O

C([C@@H](C(=O)[O-])[NH3+])S

C([C@H]([C@@H]([C@H](C=O)O)O)O)O

C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O

C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O

C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O

C(=[NH2+])(N)N

C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F

C(C(C(=O)[O-])O)(C(=O)[O-])O

C(C(C(=O)[O-])S)(C(=O)[O-])S

C(C(Cl)(Cl)Cl)OP(=O)([O-])[O-]

C(C(CO)(CO)[NH3+])O

C(C(CO)O)O

C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]

C(C(CS)S)O

C(C(F)(F)F)(C(F)(F)F)(F)F

C(C(F)(F)F)(Cl)Br

C(C(F)(F)F)(OC(F)F)Cl

C(C(F)(F)F)(OC(F)F)F

C(=C(F)F)(F)F

C(C(=O)[O-])[NH3+]

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

C(C(OC(F)F)(F)F)(F)Cl

C(=C/C(=O)[O-])\C(=O)[O-]

C(C[C@@H](C(=O)[O-])[NH3+])C[NH+]=C(N)N

C(C[NH2+]CCNCC[NH2+]CCN)N

C(C[NH3+])C(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]

C(C[NH3+])C[NH2+]CCSP(=O)([O-])[O-]

C(CC(C(F)F)(C(=O)[O-])[NH3+])C[NH3+]

C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])C[NH3+]

C(CC(=O)[O-])C(=O)[O-]

C(CC(=O)[O-])C(=O)C[NH3+]

C(CC(=O)[O-])CO

C(CC(=O)N)[C@@H](C(=O)[O-])[NH3+]

C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+])C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])[NH3+]

C(CCC(=O)[O-])CC[NH3+]

C(CCCC(=O)[O-])CCCC(=O)[O-]

C(CN(CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]

C(CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]

C(CNCC[NH2+]CCN)[NH3+]

C(CS(=O)(=O)[O-])S

C(CS)[NH3+]

C(=O)([O-])[O-]

C(=O)([O-])P(=O)([O-])[O-]