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Automated System fOr the Prediction & Use of (Q)SARs

This list contains the substances that have been used for the evaluation of the acute toxicity
endpoint. Only public domain compounds are shown.
CAS

Mol_Form

Smiles

100-00-5
100-02-7
100-41-4
100-42-5
100-44-7
100-47-0
101-77-9
101-80-4
101-84-8
101-86-0
1024-57-3
102-71-6
103-33-3
103-65-1
103-95-7
104-40-5
104-46-1
104-55-2
105-60-2
105-67-9
106-24-1
106-42-3
106-43-4
106-44-5
106-46-7
106-47-8
106-48-9
106-50-3
106-89-8
106-93-4
106-95-6
106-99-0
107-05-1
107-06-2
107-13-1
107-15-3
107-18-6
107-22-2
107-75-5
108-38-3
108-39-4
108-42-9
108-68-9
108-70-3
108-86-1
108-87-2
108-88-3
108-90-7

C6H4ClNO2
C6H5NO3
C8H10
C8H8
C7H7Cl
C7H5N
C13H14N2
C12H12N2O
C12H10O
C15H20O
C10H5Cl7O
C6H15NO3
C12H10N2
C9H12
C13H18O
C15H24O
C10H12O
C9H8O
C6H11NO
C8H10O
C10H18O
C8H10
C7H7Cl
C7H8O
C6H4Cl2
C6H6ClN
C6H5ClO
C6H8N2
C3H5ClO
C2H4Br2
C3H5Br
C4H6
C3H5Cl
C2H4Cl2
C3H3N
C2H8N2
C3H6O
C2H2O2
C10H20O2
C8H10
C7H8O
C6H6ClN
C8H10O
C6H3Cl3
C6H5Br
C7H14
C7H8
C6H5Cl

C1=CC(=CC=C1[N+](=O)[O-])Cl
C1=C(C=CC(=C1)[N+]([O-])=O)O
C1=CC=CC=C1CC
C1=CC=CC=C1C=C
C1=CC=CC=C1CCl
C1=CC=CC(=C1)C#N
C2=C(CC1=CC=C(N)C=C1)C=CC(=C2)N
C2=C(OC1=CC=C(N)C=C1)C=CC(=C2)N
C1=C(C=CC=C1)OC2=CC=CC=C2
C1=C(\C=C(/CCCCCC)C=O)C=CC=C1
C2(Cl)C1C4(Cl)C(Cl)(Cl)C(Cl)(C1C3OC23)C(=C4Cl)Cl
C(N(CCO)CCO)CO
C1=C(C=CC=C1)N=NC2=CC=CC=C2
C1=C(C=CC=C1)CCC
C1=CC(=CC=C1C(CC=O)C)C(C)C
C1=C(O)C=CC(=C1)CCCCCCCCC
C1=CC(=CC=C1\C=C\C)OC
C1=CC(=CC=C1)\C=C\C=O
O=C1NCCCCC1
C1=C(C=CC(=C1C)O)C
C(\C(=C\CO)C)CC=C(C)C
C1=CC(=CC=C1C)C
C1=C(C=CC(=C1)C)Cl
C1=C(C)C=CC(=C1)O
C1=C(C=CC(=C1)Cl)Cl
C1=C(C=CC(=C1)Cl)N
C1=C(C=CC(=C1)Cl)O
C1=CC(=CC=C1N)N
C(C1CO1)Cl
C(Br)CBr
C(C=C)Br
C(=C)C=C
C(C=C)Cl
C(Cl)CCl
C(C#N)=C
C(CN)N
C(C=C)O
O=CC=O
C(C(C)(C)O)CCC(CC=O)C
C1=C(C=CC=C1C)C
C1=C(C)C=CC=C1O
C1=C(C=CC=C1Cl)N
C1=C(C)C=C(C=C1C)O
C1=C(C=C(Cl)C=C1Cl)Cl
C1=C(C=CC=C1)Br
CC1CCCCC1
C1=CC=CC=C1C
C1=C(C=CC=C1)Cl

Automated System fOr the Prediction & Use of (Q)SARs


108-95-2
109-06-8
109-66-0
109-89-7
110-01-0
110-05-4
110-54-3
110-82-7
110-85-0
110-86-1
111-30-8
111-40-0
111-71-7
111-91-1
112-30-1
115-29-7
115-32-2
115-95-7
117-81-7
118-74-1
118-96-7
119-65-3
12002-48-1
120-72-9
120-82-1
120-83-2
121-14-2
121-44-8
121-69-7
121-75-5
122-34-9
122-39-4
122-78-1
123-30-8
123-31-9
123-72-8
124-40-3
124-48-1
125-12-2
126-98-7
127-18-4
13171-21-6
1330-20-7
135-98-8
138-86-3
140-66-9
141-05-9
141-43-5
149-30-4
156-43-4
1582-09-8
15972-60-8
15980-15-1
1746-01-6
1897-45-6

C6H6O
C6H7N
C5H12
C4H11N
C4H8S
C8H18O2
C6H14
C6H12
C4H10N2
C5H5N
C5H8O2
C4H13N3
C7H14O
C5H10Cl2O2
C10H22O
C9H6Cl6O3S
C14H9Cl5O
C12H20O2
C24H38O4
C6Cl6
C7H5N3O6
C9H7N
C6H3Cl3
C8H7N
C6H3Cl3
C6H4Cl2O
C7H6N2O4
C6H15N
C8H11N
C10H19O6PS2
C7H12ClN5
C12H11N
C8H8O
C6H7NO
C6H6O2
C4H8O
C2H7N
CHBr2Cl
C12H20O2
C4H5N
C2Cl4
C10H19ClNO5P
C8H10
C10H14
C10H16
C14H22O
C8H12O4
C2H7NO
C7H5NS2
C8H11NO
C13H16F3N3O4
C14H20ClNO2
C4H8OS
C12H4Cl4O2
C8Cl4N2

C1=C(C=CC=C1)O
C1=C(C)N=CC=C1
C(C)CCC
C(NCC)C
C1CCSC1
CC(OOC(C)(C)C)(C)C
C(C)CCCC
C1CCCCC1
C1NCCNC1
C1=CC=NC=C1
C(CC=O)CC=O
C(N)CNCCN
C(CCCC=O)CC
C(OCCCl)OCCCl
C(CCCCCO)CCCC
O=[S]2OCC1C3(Cl)C(Cl)(Cl)C(Cl)(C1CO2)C(=C3Cl)Cl
C1=CC(=CC=C1Cl)C(C(Cl)(Cl)Cl)(C2=CC=C(C=C2)Cl)O
C(C(OC(C)=O)(C=C)C)CC=C(C)C
C1=CC=CC(=C1C(OCC(CCCC)CC)=O)C(OCC(CCCC)CC)=O
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl
C1=C(C=C(C(=C1[N+]([O-])=O)C)[N+]([O-])=O)[N+]([O-])=O
C1=CC=C2C(=C1)C=NC=C2
C1=C(C(=C(C=C1)Cl)Cl)Cl
C1=C[NH]C2=C1C=CC=C2
C1=C(C(=CC(=C1)Cl)Cl)Cl
C1=C(C(=CC(=C1)Cl)Cl)O
C1=C([N+]([O-])=O)C(=CC=C1[N+]([O-])=O)C
C(C)N(CC)CC
C1=CC=CC=C1N(C)C
C(C(S[P](=S)(OC)OC)C(OCC)=O)C(OCC)=O
C(NC1=NC(=NC(=N1)Cl)NCC)C
C1=C(C=CC=C1)NC2=CC=CC=C2
C1=C(C=CC=C1)CC=O
C1=C(O)C=CC(=C1)N
C1=C(O)C=CC(=C1)O
C(CC=O)C
CNC
C(Br)(Br)Cl
[C@@H]1(OC(=O)C)[C@@]2(C([C@@H](C1)CC2)(C)C)C
CC(=C)C#N
C(=C(Cl)Cl)(Cl)Cl
C(N(C(=O)\C(Cl)=C(O[P](OC)(OC)=O)/C)CC)C
C1=C(C=CC=C1C)C
C1=C(C(CC)C)C=CC=C1
CC(C1CC=C(CC1)C)=C
C1=C(C(CC(C)(C)C)(C)C)C=CC(=C1)O
C(OC(=O)\C=C/C(OCC)=O)C
C(CO)N
C2=C1SC(NC1=CC=C2)=S
C1=C(N)C=CC(=C1)OCC
C1=C(C=C([N+]([O-])=O)C(=C1[N+]([O-])=O)N(CCC)CCC)C(F)(F)F
C1=CC=C(C(=C1CC)N(C(CCl)=O)COC)CC
C1COCCS1
C1=C(Cl)C(=CC2=C1OC3=C(O2)C=C(C(=C3)Cl)Cl)Cl
C1(=C(Cl)C(=C(C(=C1Cl)Cl)Cl)C#N)C#N

Automated System fOr the Prediction & Use of (Q)SARs


1912-24-9
1918-00-9
19408-74-3
206-44-0
23564-05-8
2426-08-6
25167-93-5
25168-05-2
25321-14-6
25619-60-7
287-92-3
2921-88-2
29797-40-8
309-00-2
314-40-9
319-85-7
319-86-8
3268-87-9
330-54-1
34123-59-6
35691-65-7
35822-46-9
39227-28-6
40321-76-4
4170-30-3
42576-02-3
4602-84-0
465-73-6
470-90-6
4901-51-3
50-29-3
505-29-3
50-53-3
510-15-6
51-28-5
5216-25-1
52315-07-8
532-27-4
5392-40-5
540-59-0
542-75-6
544-25-2
554-84-7
556-52-5
56-23-5
563-54-2
57117-31-4
57-13-6
57-14-7
58334-79-5
584-84-9
58-89-9
59-50-7
602-01-7
60-57-1

C8H14ClN5
C8H6Cl2O3
C12H2Cl6O2
C16H10
C12H14N4O4S2
C7H14O2
C6H4ClNO2
C7H7Cl
C7H6N2O4
C10H14
C5H10
C9H11Cl3NO3PS
C7H6Cl2
C12H8Cl6
C9H13BrN2O2
C6H6Cl6
C6H6Cl6
C12Cl8O2
C9H10Cl2N2O
C12H18N2O
C6H6Br2N2
C12HCl7O2
C12H2Cl6O2
C12H3Cl5O2
C4H6O
C14H9Cl2NO5
C15H26O
C12H8Cl6
C12H14Cl3O4P
C6H2Cl4O
C14H9Cl5
C4H8S2
C17H19ClN2S
C16H14Cl2O3
C6H4N2O5
C7H4Cl4
C22H19Cl2NO3
C8H7ClO
C10H16O
C2H2Cl2
C3H4Cl2
C7H8
C6H5NO3
C3H6O2
CCl4
C3H4Cl2
C12H3Cl5O
CH4N2O
C2H8N2
C4H2Cl4
C9H6N2O2
C6H6Cl6
C7H7ClO
C7H6N2O4
C12H8Cl6O

C(NC1=NC(=NC(=N1)Cl)NC(C)C)C
C1=CC(=C(C(=C1Cl)C(O)=O)OC)Cl
C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(O2)C=C(C(=C3Cl)Cl)Cl
C4=C1C3=C(C2=C1C=CC=C2)C=CC=C3C=C4
C1=CC=CC(=C1NC(NC(OC)=O)=S)NC(NC(OC)=O)=S
C(C1OC1)OCCCC
C1=CC=CC(=C1[N+](=O)[O-])Cl
ClCc1ccccc1
C1=C([N+]([O-])=O)C(=CC=C1[N+]([O-])=O)C
C1=CC(=C(C(=C1C)C)C)C
C1CCCC1
C1=C(Cl)C(=NC(=C1Cl)O[P](OCC)(OCC)=S)Cl
C1=CC=CC=C1C(Cl)Cl
ClC34C1C(C2C=CC1C2)C(C3(Cl)Cl)(Cl)C(=C4Cl)Cl
C(C(N1C(=O)C(=C(NC1=O)C)Br)C)C
C1(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
C1(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
C1(=C(Cl)C(=C(C2=C1OC3=C(O2)C(=C(Cl)C(=C3Cl)Cl)Cl)Cl)Cl)Cl
C1=C(NC(N(C)C)=O)C=CC(=C1Cl)Cl
C1=CC(=CC=C1NC(N(C)C)=O)C(C)C
C(C(C#N)(Br)CBr)CC#N
C1=C(C(=C(C3=C1OC2=C(C(=C(C(=C2O3)Cl)Cl)Cl)Cl)Cl)Cl)Cl
C1=C(C(=CC3=C1OC2=C(Cl)C(=C(C(=C2O3)Cl)Cl)Cl)Cl)Cl
C1=C2C(=C(Cl)C(=C1Cl)Cl)OC3=C(O2)C=C(C(=C3)Cl)Cl
C\C=C/C=O
C2=C(OC1=C(Cl)C=C(Cl)C=C1)C=CC(=C2C(OC)=O)[N+]([O-])=O
C(\C(=C\CO)C)C/C=C(/CCC=C(C)C)C
[C@]12(Cl)C(=C(Cl)[C@](Cl)(C1(Cl)Cl)[C@H]3[C@@H]2[C@H]4C[C@@H]3C=C4)Cl
C1=CC(=CC(=C1\C(O[P](OCC)(OCC)=O)=C\Cl)Cl)Cl
C1=C(C(=C(Cl)C(=C1O)Cl)Cl)Cl
C1=CC(=CC=C1C(C2=CC=C(Cl)C=C2)C(Cl)(Cl)Cl)Cl
C1CSCCS1
C1=C(Cl)C=CC2=C1N(C3=C(S2)C=CC=C3)CCCN(C)C
C2=C(C(C(OCC)=O)(O)C1=CC=C(C=C1)Cl)C=CC(=C2)Cl
C1=C(C(=CC=C1[N+](=O)[O-])O)[N+](=O)[O-]
C1=C(C(Cl)(Cl)Cl)C=CC(=C1)Cl
C2=C(C(OC(C1C(C=C(Cl)Cl)C1(C)C)=O)C#N)C=CC=C2OC3=CC=CC=C3
C1=CC=CC=C1C(CCl)=O
C(\C(=C\C=O)C)CC=C(C)C
Cl\C=C\Cl
C(\C=C/Cl)Cl
C1C=CC=CC=C1
C1=C(C=CC=C1O)[N+](=O)[O-]
C(C1CO1)O
ClC(Cl)(Cl)Cl
C\C(=C\Cl)Cl
C1=C(C(=CC2=C1C3=C(O2)C(=C(C(=C3)Cl)Cl)Cl)Cl)Cl
O=C(N)N
CN(C)N
C(Cl)(Cl)=C(Cl)C(Cl)=C
O=C=NC1=C(C=CC(=C1)N=C=O)C
C1(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
C1=C(C(=CC=C1O)Cl)C
C1=C(C(=C(C=C1)C)[N+](=O)[O-])[N+](=O)[O-]
ClC12C3C(C(C(=C1Cl)Cl)(Cl)C2(Cl)Cl)C4C5C(C3C4)O5

Automated System fOr the Prediction & Use of (Q)SARs


608-73-1
608-93-5
621-64-7
622-96-8
622-97-9
624-49-7
62-53-3
62-56-6
62-73-7
62-75-9
630-20-6
63-25-2
634-66-2
637-50-3
65731-84-2
67375-30-8
67-66-3
67-72-1
7085-19-0
709-98-8
71-43-2
71-55-6
71697-59-1
72-20-8
72-43-5
72-54-8
72-55-9
74-83-9
74-87-3
74-95-3
74-96-4
74-97-5
75-01-4
75-04-7
75-08-1
75-09-2
75-18-3
75-21-8
75-25-2
75-34-3
75-35-4
75-52-5
76-01-7
76-44-8
77-47-4
77-73-6
786-19-6
78-70-6
78-87-5
78-88-6
78-99-9
79-00-5
79-01-6
79-06-1
79-34-5

C6H6Cl6
C6HCl5
C6H14N2O
C9H12
C9H10
C6H8O4
C6H7N
CH4N2S
C4H7Cl2O4P
C2H6N2O
C2H2Cl4
C12H11NO2
C6H2Cl4
C9H10
C22H19Cl2NO3
C22H19Cl2NO3
CHCl3
C2Cl6
C10H11ClO3
C9H9Cl2NO
C6H6
C2H3Cl3
C22H19Cl2NO3
C12H8Cl6O
C16H15Cl3O2
C14H10Cl4
C14H8Cl4
CH3Br
CH3Cl
CH2Br2
C2H5Br
CH2BrCl
C2H3Cl
C2H7N
C2H6S
CH2Cl2
C2H6S
C2H4O
CHBr3
C2H4Cl2
C2H2Cl2
CH3NO2
C2HCl5
C10H5Cl7
C5Cl6
C10H12
C11H16ClO2PS3
C10H18O
C3H6Cl2
C3H4Cl2
C3H6Cl2
C2H3Cl3
C2HCl3
C3H5NO
C2H2Cl4

C1(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
C(CN(CCC)N=O)C
C1=CC(=CC=C1CC)C
C1=CC(=CC=C1C=C)C
COC(\C=C\C(OC)=O)=O
C1=CC=CC=C1N
C(N)(N)=S
CO[P](OC=C(Cl)Cl)(OC)=O
CN(N=O)C
C(C(Cl)(Cl)Cl)Cl
C1=CC=CC2=CC=CC(=C12)OC(NC)=O
C1=CC(=C(C(=C1Cl)Cl)Cl)Cl
C1=CC=CC=C1\C=C\C
[C@@H]1(C=C(Cl)Cl)C(C)(C)[C@@H]1C(=O)O[C@H](C#N)C2=CC=CC(=C2)OC3=CC=CC=C3
[C@H]1([C@@H](C1(C)C)C=C(Cl)Cl)C(OC(C2=CC(=CC=C2)OC3=CC=CC=C3)C#N)=O
C(Cl)(Cl)Cl
ClC(Cl)(Cl)C(Cl)(Cl)Cl
C1=CC(=CC(=C1OC(C(O)=O)C)C)Cl
C1=C(C=CC(=C1Cl)Cl)NC(CC)=O
C1=CC=CC=C1
CC(Cl)(Cl)Cl
C2=C(C(OC(C1C(C=C(Cl)Cl)C1(C)C)=O)C#N)C=CC=C2OC3=CC=CC=C3
ClC12C3C(C(C(=C1Cl)Cl)(Cl)C2(Cl)Cl)C4C5C(C3C4)O5
C1=CC(=CC=C1C(C2=CC=C(OC)C=C2)C(Cl)(Cl)Cl)OC
C2=C(C(C1=CC=C(Cl)C=C1)C(Cl)Cl)C=CC(=C2)Cl
C1=CC(=CC=C1C(C2=CC=C(Cl)C=C2)=C(Cl)Cl)Cl
CBr
CCl
C(Br)Br
C(C)Br
C(Br)Cl
ClC=C
C(C)N
C(C)S
C(Cl)Cl
CSC
C1OC1
C(Br)(Br)Br
CC(Cl)Cl
C(=C)(Cl)Cl
C[N+]([O-])=O
C(C(Cl)(Cl)Cl)(Cl)Cl
C2(Cl)C1C3(Cl)C(Cl)(Cl)C(Cl)(C1C=C2)C(=C3Cl)Cl
C1(=C(Cl)C(=C(C1(Cl)Cl)Cl)Cl)Cl
C3C1C(C2C=CC1C2)C=C3
C1=CC(=CC=C1SCS[P](OCC)(OCC)=S)Cl
C(C(C=C)(C)O)CC=C(C)C
C(C(C)Cl)Cl
C(C(=C)Cl)Cl
C(C(Cl)Cl)C
C(C(Cl)Cl)Cl
C(=CCl)(Cl)Cl
O=C(C=C)N
C(C(Cl)Cl)(Cl)Cl

Automated System fOr the Prediction & Use of (Q)SARs


79-46-9
80-05-7
80-26-2
84-74-2
85-44-9
85-68-7
86-30-6
87-61-6
87-68-3
87-86-5
88-06-2
88-18-6
886-50-0
88-72-2
88-75-5
90-04-0
90-30-2
91-20-3
91-22-5
91-64-5
92-52-4
934-73-6
94-36-0
95-16-9
95-48-7
95-49-8
95-50-1
95-54-5
95-55-6
95-57-8
95-63-6
95-87-4
95-94-3
95-95-4
96-09-3
96-12-8
96-18-4
97-00-7
97-53-0
97-54-1
98-06-6
98-07-7
98-08-8
98-29-3
98-55-5
98-82-8
98-95-3
99-87-6
99-99-0

C3H7NO2
C15H16O2
C12H20O2
C16H22O4
C8H4O3
C19H20O4
C12H10N2O
C6H3Cl3
C4Cl6
C6HCl5O
C6H3Cl3O
C10H14O
C10H19N5S
C7H7NO2
C6H5NO3
C7H9NO
C16H13N
C10H8
C9H7N
C9H6O2
C12H10
C7H7ClOS
C14H10O4
C7H5NS
C7H8O
C7H7Cl
C6H4Cl2
C6H8N2
C6H7NO
C6H5ClO
C9H12
C8H10O
C6H2Cl4
C6H3Cl3O
C8H8O
C3H5Br2Cl
C3H5Cl3
C6H3ClN2O4
C10H12O2
C10H12O2
C10H14
C7H5Cl3
C7H5F3
C10H14O2
C10H18O
C9H12
C6H5NO2
C10H14
C7H7NO2

CC([N+](=O)[O-])C
CC(C)(c1ccc(cc1)O)c2ccc(cc2)O
CC(OC(=O)C)(C1CC=C(CC1)C)C
C1=C(C(=CC=C1)C(OCCCC)=O)C(OCCCC)=O
C1=C2C(=CC=C1)C(=O)OC2=O
C1=CC=CC(=C1C(OCC2=CC=CC=C2)=O)C(OCCCC)=O
C1=CC=CC=C1N(C2=CC=CC=C2)N=O
C1=C(C(=C(C=C1)Cl)Cl)Cl
C(C(=C(Cl)Cl)Cl)(=C(Cl)Cl)Cl
C1(=C(Cl)C(=C(O)C(=C1Cl)Cl)Cl)Cl
C1=C(Cl)C=C(C(=C1Cl)O)Cl
C1=CC=CC(=C1C(C)(C)C)O
C(NC1=NC(=NC(=N1)SC)NC(C)(C)C)C
C1=CC=CC(=C1[N+](=O)[O-])C
C1=C(C(=CC=C1)O)[N+](=O)[O-]
C1=CC=CC(=C1OC)N
C1=CC=C3C(=C1NC2=CC=CC=C2)C=CC=C3
C1=C2C(=CC=C1)C=CC=C2
C1=CC=CC2=C1C=CC=N2
C1=CC=CC2=C1C=CC(O2)=O
C1=CC=CC=C1C2=CC=CC=C2
C1=CC(=CC=C1[S](C)=O)Cl
C2=C(C(OOC(C1=CC=CC=C1)=O)=O)C=CC=C2
C1=CC=CC2=C1N=CS2
C1=C(C(=CC=C1)C)O
C1=C(C(=CC=C1)Cl)C
C1=C(C(=CC=C1)Cl)Cl
C1=CC=CC(=C1N)N
C1=CC=CC(=C1N)O
C1=C(C(=CC=C1)Cl)O
C1=C(C)C=CC(=C1C)C
CC1=CC(=C(C=C1)C)O
C1=C(Cl)C(=CC(=C1Cl)Cl)Cl
C1=C(Cl)C(=CC(=C1Cl)O)Cl
C2=C(C1CO1)C=CC=C2
C(C(CCl)Br)Br
C(C(CCl)Cl)Cl
C1=C(C=CC(=C1[N+](=O)[O-])Cl)[N+](=O)[O-]
C1=C(C(=CC=C1CC=C)O)OC
C1=C(C=CC(=C1OC)O)\C=C\C
C1=C(C=CC=C1)C(C)(C)C
C1=C(C=CC=C1)C(Cl)(Cl)Cl
C1=C(C=CC=C1)C(F)(F)F
C1=C(C(C)(C)C)C=CC(=C1O)O
[C@@H]1(C(O)(C)C)CCC(=CC1)C
C1=C(C=CC=C1)C(C)C
C1=CC=CC=C1[N+](=O)[O-]
C1=C(C(C)C)C=CC(=C1)C
C1=C([N+](=O)[O-])C=CC(=C1)C

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Automated System fOr the Prediction & Use of (Q)SARs


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