Datasets:
chemNLP
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msds_sigma_aldrich

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[Na+].[Na+].[Na+].[O-][V]([O-])([O-])=O
13721-39-6
['H302', 'H312', 'H315', 'H319', 'H332']
0
0
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0
OC(=O)COCCOCCOCC(O)=O
13887-98-4
['H318']
0
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0
[Na+].[O-][S](=O)(=O)c1ccc(C=C)cc1
2695-37-6
['H302', 'H315', 'H318', 'H335']
0
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0
CCCCCCOc1ccc(N)cc1
39905-57-2
['H302', 'H312', 'H315', 'H319', 'H332', 'H335', 'H400', 'H410']
0
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1
1
0
0
OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O
497-76-7
null
0
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CC(N)CC(O)=O
541-48-0
['H315', 'H319']
0
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null
37278-89-0
null
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O.S=C1N=CNc2nc[nH]c12
6112-76-1
['H301', 'H341', 'H361']
0
0
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1
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0
0
0
0
0
0
CN(C)c1ccc(\C=C\C(O)=O)cc1
1552-96-1
['H315', 'H319', 'H335']
0
0
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0
0
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OCCCc1cccnc1
2859-67-8
['H315', 'H319', 'H335']
0
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CCOC(=O)c1ccccc1
93-89-0
null
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[H+].[Cl-].CC(N)(C1CCCCC1)c2cc(Br)cc(Br)c2N
611-75-6
null
0
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CCCCC/C=C/C([O-])=O
1871-67-6
['H314', 'H318']
0
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COc1cccc(OC)n1
6231-18-1
['H302', 'H315', 'H318', 'H335']
0
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0
OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
2706-90-3
['H318', 'H361']
0
0
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Cc1cc(C)c(C)c(C)c1
527-53-7
['H319']
0
0
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0
0
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0
CCc1ccc(cc1)[S](O)(=O)=O
98-69-1
['H314', 'H318']
0
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0
0
0
C1NCC=C1
109-96-6
['H225', 'H302', 'H314', 'H318', 'H332']
0
0
0
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0
0
1
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[Na+].[Na+].O[C@@H](CO[P]([O-])([O-])=O)[C@@H](O)[C@H](O)[C@@H](O)C=O
3671-99-6
null
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Cc1ccnc(c1)c2cc(C)ccn2
1134-35-6
['H315', 'H319', 'H335']
0
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CC[n+]1ccccc1Br.F[B-](F)(F)F
878-23-9
null
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Cc1[nH]c(C)cc1
625-84-3
['H226', 'H301', 'H311', 'H315', 'H319', 'H331', 'H335']
0
0
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1
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OCC1CCCCC1CO
15753-50-1
null
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N(c1ccccc1)c2ccc(cc2)c3ccc(Nc4ccccc4)cc3
531-91-9
null
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null
13530-50-2
['H318']
0
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OC(=O)C(S)C(S)C(O)=O
304-55-2
null
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[Na+].C[Si](C)(C)[N-][Si](C)(C)C
1070-89-9
['H302', 'H312', 'H314', 'H318', 'H332']
0
0
0
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COC(OC)C(=O)OC
89-91-8
null
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CCOC(=O)Cc1ccccn1
2739-98-2
['H315', 'H319', 'H335']
0
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null
654054-57-6
['H315', 'H319', 'H335']
0
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null
457061-31-3
['H301', 'H312', 'H315', 'H319', 'H360', 'H372', 'H400', 'H410']
0
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[Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
89-65-6
null
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Cc1c[nH]c2ccccc12
83-34-1
['H411']
0
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Clc1ccccc1Br
694-80-4
['H315', 'H319']
0
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[F-].[F-].[F-].[F-].[F-].[F-].[K+].[K+].[Ti+4]
16919-27-0
['H302', 'H317', 'H318']
0
0
0
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Cc1ccc(c(C)c1)C(O)=O
611-01-8
null
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CCC(=O)c1ccc(C)cc1
5337-93-9
null
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Nc1cccc2ccc(cc12)[S](O)(=O)=O
119-28-8
['H314', 'H318']
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FC(F)(F)C(=O)CC(=O)c1ccccc1
326-06-7
null
0
0
0
0
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0
Cc1sccc1
554-14-3
['H225']
0
0
0
0
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0
0
0
1
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0
CC1=CCC(CC1)C(C)(C)O
8000-41-7
['H315', 'H319']
0
0
0
0
0
0
0
0
0
0
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1
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0
0
0
0
0
0
0
0
0
0
0
0
0
0
OC(=O)CCI
141-76-4
['H314', 'H318']
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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0
0
0
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0
0
0
0
0
0
0
0
0
ClC(=O)c1ccccc1C(Cl)=O
88-95-9
['H314', 'H318']
0
0
0
0
0
0
0
0
0
0
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0
0
0
0
0
0
0
0
0
0
0
0
0
0
C=CCc1ccccc1
300-57-2
['H226', 'H304']
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
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0
0
0
0
0
0
0
0
0
0
0
0
0
0
Cc1cccc(N)c1N
2687-25-4
['H302', 'H312', 'H315', 'H319', 'H332', 'H335']
0
0
0
0
0
0
0
0
0
0
0
0
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1
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1
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0
1
0
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
CCCCCCCCCCCCSCCCCCCCCCCCC
2469-45-6
['H315', 'H319', 'H335']
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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1
0
0
0
0
1
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0
0
0
0
0
0
0
0
0
0
0
0
0
0
C[Si](C)(C)O[S](C)(=O)=O
10090-05-8
['H226']
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
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0
0
0
0
0
0
0
0
0
0
0
0
0
0
Fc1ccc(cc1)C(=O)c2ccc(F)cc2
345-92-6
['H302', 'H315', 'H319', 'H335', 'H411']
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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0
0
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1
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1
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
FC(F)(F)c1ccc(Cl)nc1
52334-81-3
['H315', 'H319', 'H335']
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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1
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
ClC(C(Cl)=O)c1ccccc1
2912-62-1
['H226', 'H261', 'H314', 'H318', 'H335']
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
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1
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0
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
null
16184-89-7
['H315', 'H319', 'H335']
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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1
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
OC(CCl)CCl
96-23-1
['H301', 'H312', 'H350']
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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0
0
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0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
ClCc1ccc(Br)cc1
589-17-3
['H314', 'H318']
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
CCN(CCO)c1ccc(N)c(C)c1.O[S](O)(=O)=O
25646-77-9
['H300', 'H317', 'H334', 'H373', 'H400', 'H410']
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
1
1
0
0
[Cl-].CN(C)c1ccc(cc1)[C+](c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C
548-62-9
['H302', 'H318', 'H351', 'H400', 'H410']
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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1
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0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
1
0
0
COc1ccc2[nH]cc(C[NH+](C)C)c2c1
16620-52-3
null
0
0
0
0
0
0
0
0
0
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0
[Sn++].CC([O-])=O.CC([O-])=O
638-39-1
['H302', 'H312', 'H332']
0
0
0
0
0
0
0
0
0
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0
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0
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1
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0
0
0
0
0
0
0
0
0
0
0
0
0
0
[H+].[Cl-].CN(C)C
593-81-7
['H270', 'H315', 'H319']
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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1
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0
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0
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0
0
0
0
0
0
0
0
CCC\C=C\C
4050-45-7
['H225', 'H304', 'H315', 'H319', 'H335']
0
0
0
0
0
0
0
0
1
0
0
0
0
0
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1
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0
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0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
null
1314-91-6
['H302', 'H332', 'H351', 'H360', 'H361', 'H373', 'H400', 'H410']
0
0
0
0
0
0
0
0
0
0
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0
1
0
0
0
0
0
0
1
1
1
0
0
0
1
1
1
0
0
CN(C)C.O=[S](=O)=O
3162-58-1
null
0
0
0
0
0
0
0
0
0
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0
0
0
0
0
0
C1CCN(C1)[P+](On2nnc3ccccc23)(N4CCCC4)N5CCCC5
128625-52-5
['H302', 'H317', 'H400', 'H410']
0
0
0
0
0
0
0
0
0
0
0
0
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0
0
0
0
0
1
1
0
0
C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O
3615-37-0
null
0
0
0
0
0
0
0
0
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0
0
0
0
0
0
0
0
0
OC(=O)c1ccc(cc1)[S](F)(=O)=O
455-26-5
['H314', 'H318']
0
0
0
0
0
0
0
0
0
0
0
0
0
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0
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0
0
0
0
0
0
0
0
0
0
0
0
[NH3+]CCCCCO
2508-29-4
['H302', 'H314', 'H318']
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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