real datasets for testing, test data cleanup, Daphnia import, upper and lower similar...
[lazar] / data / Carcinogenicity-Rat.csv
1 SID,SMILES,Carcinogenicity-Rat
2 48413129,CC=O,carcinogenic
3 48413131,CC=NO,non-carcinogenic
4 48413132,CC(=O)N,carcinogenic
5 48413133,CC(=O)NC1=CC=C(C=C1)O,carcinogenic
6 48413134,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2,non-carcinogenic
7 48413135,CC(=NNC1=NC=C(S1)C2=CC=C(O2)[N+](=O)[O-])C,carcinogenic
8 48413136,CC#N,non-carcinogenic
9 48413137,CC(=NO)C,carcinogenic
10 48413138,CC(=O)OC(C=C)C1=CC2=C(C=C1)OCO2,carcinogenic
11 48413143,CC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2,carcinogenic
12 48413144,CC(=O)NC1=CC=CC2=C1CC3=CC=CC=C32,non-carcinogenic
13 48413145,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2,carcinogenic
14 48413146,CC(=O)NC1=CC=CC2=C1C3=CC=CC=C3C2,non-carcinogenic
15 48413147,CC(=O)NC1=CC=C(C=C1)CC(=O)O,non-carcinogenic
16 48413148,CC(=O)NC(CS)C(=O)O,non-carcinogenic
17 48413150,C=CC=O,non-carcinogenic
18 48413151,CCOC(C=C)OCC,non-carcinogenic
19 48413152,C=CC=NO,non-carcinogenic
20 48413153,CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C,carcinogenic
21 48413154,C=CC(=O)N,carcinogenic
22 48413155,C=CC(=O)O,non-carcinogenic
23 48413156,C=CC#N,carcinogenic
24 48413157,CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(C=CC(=C5O4)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)N)C)C(C)C)C)C,non-carcinogenic
25 48413158,CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C,carcinogenic
26 48413159,C(CCC(=O)N)CC(=O)N,non-carcinogenic
27 48413160,C1=COC(=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N,carcinogenic
28 48413161,COC1=C2C3=C(C(CC3)O)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogenic
29 48413162,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogenic
30 48413163,COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogenic
31 48413165,C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl,non-carcinogenic
32 48413166,CC(C)(C=NOC(=O)NC)SC,non-carcinogenic
33 48413167,C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
34 48413168,CCCCCCCCCCC(C)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],non-carcinogenic
35 48413169,CCCCCCCCCC[N+](C)(C)[O-],non-carcinogenic
36 48413170,C1(C(=O)NC(=O)N1)NC(=O)N,non-carcinogenic
37 48413171,C=CCO,non-carcinogenic
38 48413173,C=CCOCC1CO1,non-carcinogenic
39 48413174,C=CCN=C=S,carcinogenic
40 48413175,CC(C)CC(=O)OCC=C,carcinogenic
41 48413176,C=CCN(C(=O)N)N=O,carcinogenic
42 48413178,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+],non-carcinogenic
43 48413179,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N,carcinogenic
44 48413180,CCOC1=C(C=C(C=C1)NC(=O)C)N,non-carcinogenic
45 48413181,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31.Cl,carcinogenic
46 48413182,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31,carcinogenic
47 48413183,C1=C(N=C(S1)N=C(N)N)CSCCNC2=NSN=C2N,carcinogenic
48 48413184,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N,carcinogenic
49 48413185,C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(O2)N,carcinogenic
50 48413186,C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(S2)N,carcinogenic
51 48413187,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)N,carcinogenic
52 48413189,C1=CC(=C(C=C1[N+](=O)[O-])N)O,carcinogenic
53 48413190,C1=CC(=C(C=C1[N+](=O)[O-])O)N,carcinogenic
54 48413191,C1=CC(=C(C=C1N)[N+](=O)[O-])O,carcinogenic
55 48413193,C1=C(SC(=N1)N)[N+](=O)[O-],carcinogenic
56 48413194,C1=CC=C(C=C1)C2C(=O)N=C(O2)N.[OH-].[OH-].[Mg+2],non-carcinogenic
57 48413195,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N,carcinogenic
58 48413196,CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C,carcinogenic
59 48413197,C(CCC(=O)O)CCN,non-carcinogenic
60 48413199,C1=CC=C(C=C1)C2=CC=C(C=C2)N.Cl,carcinogenic
61 48413201,C1CCC(CC1)(CC(=O)O)CN,carcinogenic
62 48413202,C1=CC(=CC=C1N)N(CCO)CCO.OS(=O)(=O)O,non-carcinogenic
63 48413203,C1=NNC(=N1)N,carcinogenic
64 48413204,C(CCCCCN)CCCCC(=O)O,carcinogenic
65 48413206,C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+],non-carcinogenic
66 48413208,CCC1(C(=O)NC(=O)NC1=O)CCC(C)C,non-carcinogenic
67 48413209,CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.OS(=O)(=O)O,non-carcinogenic
68 48413210,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.O.O.O,non-carcinogenic
69 48413211,CCCCCN(C(=O)N)N=O,carcinogenic
70 48413214,CC=CC1=CC=C(C=C1)OC,non-carcinogenic
71 48413216,C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl,non-carcinogenic
72 48413217,C1=CC=C(C=C1)N,non-carcinogenic
73 48413218,C1=CC=C(C=C1)N.Cl,carcinogenic
74 48413219,COC1=CC=CC=C1N.Cl,carcinogenic
75 48413220,COC1=CC=C(C=C1)N.Cl,non-carcinogenic
76 48413221,C1=CC=C(C(=C1)C(=O)O)N,non-carcinogenic
77 48413224,CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl,carcinogenic
78 48413226,COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+],carcinogenic
79 48413227,C1=CC(=CC(=C1)Cl)C2=CC(=CC(=C2)Cl)Cl,carcinogenic
80 48413228,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=C(C=C2)Cl)Cl,carcinogenic
81 48413229,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl,carcinogenic
82 48413230,C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
83 48413231,O[As](=O)(O)[O-].[Na+],non-carcinogenic
84 48413233,[O-][As]=O.[Na+],non-carcinogenic
85 48413234,C(C(C1C(=C(C(=O)O1)O)[O-])O)O.[Na+],non-carcinogenic
86 48413235,C(C(C1C(=C(C(=O)O1)O)O)O)O,non-carcinogenic
87 48413236,COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N,non-carcinogenic
88 48413237,CC(=O)OC1=CC=CC=C1C(=O)O,non-carcinogenic
89 48413239,COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F,non-carcinogenic
90 48413240,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O.Cl,non-carcinogenic
91 48413241,CCNC1=NC(=NC(=N1)Cl)NC(C)C,carcinogenic
92 48413242,CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3,non-carcinogenic
93 48413243,CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl,carcinogenic
94 48413245,C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N,carcinogenic
95 48413246,C1=NN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O,non-carcinogenic
96 48413247,C(C(C(=O)O)N)OC(=C[N+]#N)[O-],carcinogenic
97 48413248,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],non-carcinogenic
98 48413249,CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C,non-carcinogenic
99 48413250,[N-]=[N+]=[N-].[Na+],non-carcinogenic
100 48413251,COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1,non-carcinogenic
101 48413252,C1=CC=C(C=C1)N=NC2=CC=CC=C2,carcinogenic
102 48413253,CN=[N+](C)[O-],carcinogenic
103 48413254,CCCN=[N+](CCC)[O-],carcinogenic
104 48413255,CC(C)N=[N+](C(C)C)[O-],carcinogenic
105 48413256,CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-],carcinogenic
106 48413257,CCC1(C(=O)NC(=NC1=O)[O-])CC.[Na+],carcinogenic
107 48413258,C1C(=O)NC(=O)NC1=O,non-carcinogenic
108 48413259,CC(=O)[O-].CC(=O)[O-].[Ba+2],non-carcinogenic
109 48413260,O.O.[Cl-].[Cl-].[Ba+2],non-carcinogenic
110 48413261,CCOCCC1=C(N=C(N2C1=NC=N2)N)C3=CC=CC=C3,carcinogenic
111 48413262,C1=CC(=CC=C1C(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O,non-carcinogenic
112 48413263,C1=CC=C(C=C1)C=O,non-carcinogenic
113 48413264,C1=CC=CC=C1,carcinogenic
114 48413267,C1=CC(=CC=C1C2=CC=C(C=C2)N)N,carcinogenic
115 48413269,C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3,carcinogenic
116 48413270,C1=CC=C(C=C1)C(=O)[O-].[Na+],non-carcinogenic
117 48413271,C1=CC=C2C(=C1)C=CO2,carcinogenic
118 48413272,C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N,non-carcinogenic
119 48413273,C1=CC=C(C=C1)C(=O)O,non-carcinogenic
120 48413274,C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O,non-carcinogenic
121 48413277,C1=CC2=NNN=C2C=C1,non-carcinogenic
122 48413280,CC(=O)OCC1=CC=CC=C1,non-carcinogenic
123 48413281,C1=CC=C(C=C1)CO,non-carcinogenic
124 48413282,C1=CC=C(C=C1)CCl,non-carcinogenic
125 48413283,C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O,non-carcinogenic
126 48413284,C1=CC=C(C=C1)CN=C=S,non-carcinogenic
127 48413285,C1=CC=C(C=C1)CSC#N,non-carcinogenic
128 48413287,C1=CC=C(C=C1)C[N+]2=NOC(=C2CC(=O)N)[O-],carcinogenic
129 48413288,[Be+2].[O-]S(=O)(=O)[O-],non-carcinogenic
130 48413292,C1=CC=C(C=C1)C2=CC=CC=C2N.Cl,non-carcinogenic
131 48413293,C(C(CO)(CBr)CBr)O,carcinogenic
132 48413295,CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC,non-carcinogenic
133 48413296,CC(CCl)OC(C)CCl,non-carcinogenic
134 48413302,C(OCCl)Cl,carcinogenic
135 48413303,C(C(CBr)Br)OP(=O)([O-])OCC(CBr)Br.C(C(CBr)Br)OP(=O)([O-])OCC(CBr)Br.[Mg+2],carcinogenic
136 48413304,C1=CC(=CC=C1OC2=C(C=C(C=N2)Cl)Cl)OC3=C(C=C(C=N3)Cl)Cl,non-carcinogenic
137 48413305,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])N(CCO)CCO,carcinogenic
138 48413306,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N(CCO)CCO,non-carcinogenic
139 48413308,CC(CNCC(C)O)O,non-carcinogenic
140 48413310,O=[Bi].Cl,non-carcinogenic
141 48413311,CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,non-carcinogenic
142 48413312,CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=NNC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],non-carcinogenic
143 48413313,C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],carcinogenic
144 48413314,C1=CC(=CC=C1C2=CC=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],carcinogenic
145 48413315,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],carcinogenic
146 48413316,C1=CC(=C(C=C1C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu].[Cu],carcinogenic
147 48413317,C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N,carcinogenic
148 48413318,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
149 48413319,C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])N2.[Na+].[Na+],non-carcinogenic
150 48413320,CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-],carcinogenic
151 48413322,C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCO,non-carcinogenic
152 48413325,[O-]Br(=O)=O.[K+],carcinogenic
153 48413327,CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O,carcinogenic
154 48413328,C(Cl)(Cl)Br,carcinogenic
155 48413329,CCBr,carcinogenic
156 48413331,C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)[O-])C(=O)[O-])NN=C4C(=O)C=CC(=NNC5=C(C=CC(=C5)S(=O)(=O)[O-])[O-])C4=O.[Na+].[Na+].[Cu+2],carcinogenic
157 48413332,CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C,carcinogenic
158 48413333,C=CC=C,carcinogenic
159 48413334,CCCCOCCO,non-carcinogenic
160 48413335,CC(C)(C)O,carcinogenic
161 48413337,CCCCCl,non-carcinogenic
162 48413341,CCCCN(CCCCO)N=O,carcinogenic
163 48413342,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO,non-carcinogenic
164 48413343,CC1=CC(=C(C=C1)O)C(C)(C)C,non-carcinogenic
165 48413344,CCCCN(C(=N[N+](=O)[O-])N)N=O,non-carcinogenic
166 48413345,CCCCN(C(=O)N)N=O,carcinogenic
167 48413346,CC(C)(C)C1=C(C=CC(=C1)OC)O,carcinogenic
168 48413347,CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,non-carcinogenic
169 48413352,CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,non-carcinogenic
170 48413353,CC(C)(C)C1=CC=C(C=C1)O,non-carcinogenic
171 48413354,CCCCNC(=O)N,non-carcinogenic
172 48413355,CC1CC(=O)O1,carcinogenic
173 48413356,C1CC(=O)OC1,non-carcinogenic
174 48413357,CC(=O)[O-].CC(=O)[O-].[Cd+2],non-carcinogenic
175 48413358,[Cl-].[Cl-].[Cd+2],carcinogenic
176 48413359,O.[Cl-].[Cl-].[Cd+2],non-carcinogenic
177 48413361,[O-]S(=O)(=O)[O-].[Cd+2],carcinogenic
178 48413362,O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cd+2].[Cd+2].[Cd+2],non-carcinogenic
179 48413363,C1=CC(=C(C=C1C=CC(=O)O)O)O,carcinogenic
180 48413364,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,non-carcinogenic
181 48413366,CC(=O)[O-].CC(=O)[O-].[Ca+2],non-carcinogenic
182 48413367,[Cl-].[Cl-].[Ca+2],non-carcinogenic
183 48413368,CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2],non-carcinogenic
184 48413369,CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Ca+2],carcinogenic
185 48413370,CN(C)C(=O)COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)O,non-carcinogenic
186 48413371,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,non-carcinogenic
187 48413372,C1CCC(=O)NCC1,non-carcinogenic
188 48413374,C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl,carcinogenic
189 48413375,C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogenic
190 48413378,C1=CC(=CC=C1NC(=O)N)[As](=O)(O)O,non-carcinogenic
191 48413379,CNC(=O)OC1=CC=CC2=CC=CC=C21,carcinogenic
192 48413382,C(Cl)(Cl)(Cl)Cl,carcinogenic
193 48413383,C(C(=O)O)N(C(=O)N)N=O,carcinogenic
194 48413384,CCC(CC)(C(=O)NC(=O)N)Br,non-carcinogenic
195 48413385,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C,non-carcinogenic
196 48413390,C1=CC=C(C(=C1)O)O,carcinogenic
197 48413391,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F,non-carcinogenic
198 48413392,CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C,non-carcinogenic
199 48413393,CC1OC2(CN3CCC2CC3)CS1.CC1OC2(CN3CCC2CC3)CS1.O.Cl.Cl,non-carcinogenic
200 48413395,C(C(Cl)(Cl)Cl)(O)O,non-carcinogenic
201 48413396,C1=C(C=C(C(=C1N)Cl)C(=O)O)Cl,non-carcinogenic
202 48413397,C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,carcinogenic
203 48413399,C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],non-carcinogenic
204 48413401,C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
205 48413402,C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O,carcinogenic
206 48413403,CCC(CCC(C(CC(C(C(CCl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
207 48413404,CCCC(CCC(CCC(CCC(CCC(CCC(CCC(C)Cl)Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
208 48413407,ClCl,non-carcinogenic
209 48413409,C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl,carcinogenic
210 48413410,C1(C(=C(C(=O)O1)Cl)C(Cl)Cl)O,carcinogenic
211 48413411,CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C,carcinogenic
212 48413412,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl,non-carcinogenic
213 48413414,CC(=C)CCl,carcinogenic
214 48413415,C1=CC=C(C(=C1)[N+](=O)[O-])Cl,non-carcinogenic
215 48413416,C1=CC(=CC=C1[N+](=O)[O-])Cl,non-carcinogenic
216 48413417,C1=CC(=C(C=C1N)N)Cl,carcinogenic
217 48413418,C1=CC(=C(C=C1Cl)N)N,carcinogenic
218 48413419,C1=CC(=C(C=C1N)Cl)N.OS(=O)(=O)O,non-carcinogenic
219 48413420,CC(CCl)O,non-carcinogenic
220 48413421,CC1=C(C=C(C=C1)N)Cl,non-carcinogenic
221 48413422,CC1=C(C=C(C=C1)Cl)N,non-carcinogenic
222 48413423,CC1=C(C=CC(=C1)Cl)N.Cl,non-carcinogenic
223 48413424,C(C(F)(F)F)Cl,carcinogenic
224 48413425,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C,carcinogenic
225 48413426,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)NCCO)Cl)C,carcinogenic
226 48413428,C1=CC=C(C=C1)C(=O)CCl,non-carcinogenic
227 48413429,CC(=O)NC1=CC=C(C=C1)C(=O)CCl,non-carcinogenic
228 48413430,C1=CC(=CC=C1N)Cl,non-carcinogenic
229 48413431,C1=CC(=CC=C1N)Cl.Cl,carcinogenic
230 48413432,C1=CC=C(C(=C1)C=C(C#N)C#N)Cl,non-carcinogenic
231 48413433,C1=CC=C(C=C1)Cl,carcinogenic
232 48413434,CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O,non-carcinogenic
233 48413435,C(Cl)(Br)Br,non-carcinogenic
234 48413436,C(F)(F)Cl,non-carcinogenic
235 48413437,CCCl,non-carcinogenic
236 48413438,C[N+](C)(C)CCCl.[Cl-],non-carcinogenic
237 48413439,CC(CNC(=O)N(C(C)Cl)N=O)O,carcinogenic
238 48413440,C(F)Cl,carcinogenic
239 48413441,C(Cl)(Cl)Cl,carcinogenic
240 48413442,COCCl,carcinogenic
241 48413443,C1=CC=NC(=C1)CCl.Cl,non-carcinogenic
242 48413444,C1=CC(=CN=C1)CCl.Cl,carcinogenic
243 48413446,CN(C)C(=O)NC1=CC=C(C=C1)Cl,carcinogenic
244 48413447,CC1C2=NN=C(N2C3=C(C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=N1)C5=CC=CC=C5Cl)C,non-carcinogenic
245 48413448,C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OC(=O)N,carcinogenic
246 48413449,C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl,non-carcinogenic
247 48413451,C=CC(=C)Cl,carcinogenic
248 48413451,C=CC(=C)Cl,carcinogenic
249 48413455,C(C(F)(F)F)(F)Cl,non-carcinogenic
250 48413456,C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl,carcinogenic
251 48413457,C(CCl)N(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogenic
252 48413458,C[NH+](C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)[O-])C(=O)O,non-carcinogenic
253 48413459,CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl,non-carcinogenic
254 48413462,C[N+](C)(C)CCO.[Cl-],non-carcinogenic
255 48413463,O=[Cr]O[Cr]=O,non-carcinogenic
256 48413464,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cr+3],non-carcinogenic
257 48413465,C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O,carcinogenic
258 48413466,CC1=C(N=CN1)CSCCNC(=NC)NC#N,non-carcinogenic
259 48413467,C1=CC=C(C=C1)C=CC=O,non-carcinogenic
260 48413468,C1=CC=C(C=C1)C=CCOC(=O)C2=CC=CC=C2N,carcinogenic
261 48413469,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl,carcinogenic
262 48413470,CC(=CCCC(=CC=O)C)C,non-carcinogenic
263 48413471,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,non-carcinogenic
264 48413472,CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C,carcinogenic
265 48413473,CC1C=C(C(=O)OC2CC[N+]3(C2(C(=CC3)COC(=O)C1(C)OC(=O)C)[O-])C)C=C,carcinogenic
266 48413474,CC(C)(C(=O)O)OCC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,non-carcinogenic
267 48413475,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl,carcinogenic
268 48413477,C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.C(CO)N,non-carcinogenic
269 48413478,C1=CC(=CC(=C1)Cl)C2=CC(=CC=C2)Cl,carcinogenic
270 48413479,O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Co+2],carcinogenic
271 48413480,CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O,non-carcinogenic
272 48413481,CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,non-carcinogenic
273 48413482,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC(=CC=C3)O,non-carcinogenic
274 48413486,CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C,non-carcinogenic
275 48413487,C1=CC=C2C(=C1)C=CC(=O)O2,carcinogenic
276 48413488,CC1=C(C=CC(=C1)OC)N,carcinogenic
277 48413489,CC1=CC(=C(C=C1)OC)N,carcinogenic
278 48413490,CC=CC=O,carcinogenic
279 48413491,C1=CC=C(C=C1)N(N=O)[O-].[NH4+],carcinogenic
280 48413493,CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N,carcinogenic
281 48413494,C(#N)N=C(N)N,non-carcinogenic
282 48413495,C1CCC(CC1)NS(=O)(=O)[O-].[Na+],non-carcinogenic
283 48413497,C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N,non-carcinogenic
284 48413498,C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O,non-carcinogenic
285 48413499,C1CCC(=O)CC1,non-carcinogenic
286 48413501,C1CCC(CC1)N.Cl,non-carcinogenic
287 48413502,C1CCC(CC1)N.OS(=O)(=O)O,non-carcinogenic
288 48413503,C1CCC(=NO)C1,carcinogenic
289 48413504,COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCCC3,carcinogenic
290 48413505,C1CNP(=O)(OC1)N(CCCl)CCCl,carcinogenic
291 48413506,CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,non-carcinogenic
292 48413508,C(C(C(=O)O)N)S.Cl,non-carcinogenic
293 48413509,COC1=CC=C(C=C1)C(=O)C(=CC(=O)[O-])Br.[Na+],carcinogenic
294 48413510,CN(C)NN=C1C(=NC=N1)C(=O)N,carcinogenic
295 48413511,CN(C)NC(=O)CCC(=O)O,carcinogenic
296 48413512,C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N,carcinogenic
297 48413514,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,non-carcinogenic
298 48413515,C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl,non-carcinogenic
299 48413516,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl,carcinogenic
300 48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,carcinogenic
301 48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,carcinogenic
302 48413519,CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)COC(=O)C,carcinogenic
303 48413520,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C,carcinogenic
304 48413521,CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C,carcinogenic
305 48413523,CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C,non-carcinogenic
306 48413525,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,non-carcinogenic
307 48413526,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,non-carcinogenic
308 48413531,CC(=O)N(C1=CC=CC2=C1CC3=CC=CC=C32)C(=O)C,carcinogenic
309 48413534,C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C,non-carcinogenic
310 48413537,C=CCN(CC=C)N=O,carcinogenic
311 48413538,C1=C(OC(=C1)[N+](=O)[O-])C2=NC(=NC(=N2)N)N,carcinogenic
312 48413539,C1=CC(=C(C=C1N)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
313 48413540,COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O,carcinogenic
314 48413543,C1=CC(=C(C=C1N)N)O.Cl.Cl,non-carcinogenic
315 48413544,CC1=C(C=C(C=C1)N)N,carcinogenic
316 48413545,CC1=C(C=C(C=C1)N)N.Cl.Cl,carcinogenic
317 48413546,CC1=C(C=CC=C1N)N.Cl.Cl,non-carcinogenic
318 48413547,CC1=C(C=CC(=C1)N)N.OS(=O)(=O)O,non-carcinogenic
319 48413548,CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,non-carcinogenic
320 48413549,CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C,non-carcinogenic
321 48413550,C1=CC(=C(C=C1CCN)[N+]#N)[O-].Cl,carcinogenic
322 48413552,C1=CC=C2C(=C1)OC3=CC=CC=C3O2,non-carcinogenic
323 48413553,C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)N,carcinogenic
324 48413554,CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C.Cl,non-carcinogenic
325 48413555,C(C(CBr)Br)Cl,carcinogenic
326 48413556,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogenic
327 48413557,C(CBr)Br,carcinogenic
328 48413558,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogenic
329 48413559,C1=CC2=C(C=C(C=C2N=C1)Br)Br,non-carcinogenic
330 48413560,CCCCNC(=O)N(CCCC)N=O,carcinogenic
331 48413561,CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C,non-carcinogenic
332 48413564,CC(F)(Cl)Cl,carcinogenic
333 48413569,C1=C(C=C(C(=C1Cl)N)Cl)N,non-carcinogenic
334 48413570,C(C(=O)O)(Cl)Cl,carcinogenic
335 48413571,C(#CCl)Cl,carcinogenic
336 48413572,C1=CC=C(C(=C1)Cl)Cl,non-carcinogenic
337 48413573,C1=CC(=CC=C1Cl)Cl,carcinogenic
338 48413574,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N,carcinogenic
339 48413576,C(C=CCCl)Cl,carcinogenic
340 48413578,C1=CC2=C(C=C1Cl)OC3=C(O2)C=C(C=C3)Cl,non-carcinogenic
341 48413579,C(F)(F)(Cl)Cl,non-carcinogenic
342 48413580,C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogenic
343 48413581,CC(Cl)Cl,non-carcinogenic
344 48413582,C(CCl)Cl,carcinogenic
345 48413583,C1=CC(=C(C=C1Cl)Cl)O,non-carcinogenic
346 48413586,C1=CC(=C(C=C1Cl)Cl)OCC(=O)O,non-carcinogenic
347 48413592,CC(CCl)Cl,non-carcinogenic
348 48413593,COP(=O)(OC)OC=C(Cl)Cl,carcinogenic
349 48413594,[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Na+].[Na+],carcinogenic
350 48413595,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl,non-carcinogenic
351 48413596,C1CCC(CC1)NC(=S)NC2CCCCC2,non-carcinogenic
352 48413597,C1C2C3CC4C(C3C1C5C2O5)O4,non-carcinogenic
353 48413598,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
354 48413599,C12C3C(C4C1C5(C(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6C2O6,non-carcinogenic
355 48413600,C1C(O1)C2CO2,non-carcinogenic
356 48413602,CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](C=C2)[O-],carcinogenic
357 48413603,CCN(CC)C(=O)C1=CC(=CC=C1)C,non-carcinogenic
358 48413604,CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl,non-carcinogenic
359 48413605,CCN(CC)C(=O)C,carcinogenic
360 48413606,CCC(CC)C(=O)NC(=O)N,non-carcinogenic
361 48413607,CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O.Cl,non-carcinogenic
362 48413608,C(COCCO)O,carcinogenic
363 48413609,CCN(CC)C=O,non-carcinogenic
364 48413610,CCOC(=O)C=CC(=O)OCC,non-carcinogenic
365 48413611,CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,carcinogenic
366 48413612,CCNC(=S)NCC,carcinogenic
367 48413613,C(CC(C(F)F)(C(=O)O)N)CN,non-carcinogenic
368 48413616,C1C(O1)COC2=CC(=CC=C2)OCC3CO3,carcinogenic
369 48413617,C1N=C(NC(=O)N1C2C(C(C(O2)CO)O)O)N,non-carcinogenic
370 48413618,C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=C(S3)[N+](=O)[O-],carcinogenic
371 48413619,C1C=CCON1N=O,carcinogenic
372 48413620,C1CC(=O)OC2=CC=CC=C21,carcinogenic
373 48413621,CCCC1=CC2=C(C=C1)OCO2,carcinogenic
374 48413623,CC(CCC(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C,non-carcinogenic
375 48413624,CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C,carcinogenic
376 48413625,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O.Cl,non-carcinogenic
377 48413626,CC1(C(=O)NC(=O)O1)C,non-carcinogenic
378 48413627,CNC(=O)CSP(=S)(OC)OC,non-carcinogenic
379 48413628,CC1CC(OC(O1)C)OC(=O)C,carcinogenic
380 48413628,CC1CC(OC(O1)C)OC(=O)C,carcinogenic
381 48413630,COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N,carcinogenic
382 48413631,COC1=CC(=C(C=C1)N)OC.Cl,non-carcinogenic
383 48413632,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O,carcinogenic
384 48413633,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl,carcinogenic
385 48413634,COC1=CC(=C2C3=C(CCC3)C(=O)OC2=C1)OC,non-carcinogenic
386 48413635,COC1=CC(=C2C(=C1)OC(=O)C3=C2C(=O)CC3)OC,non-carcinogenic
387 48413636,COC1=CC(=C2C3=C(C(=O)CC3)C(=O)OC2=C1)OC,non-carcinogenic
388 48413637,COC1=C(C2=C(C(=C1)O)C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)OC)OC,carcinogenic
389 48413638,CC(=O)NCCSP(=S)(OC)OC,non-carcinogenic
390 48413639,CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2,carcinogenic
391 48413640,CN(C(=O)C1=CC=CC=C1C(=O)N(C)N=O)N=O,non-carcinogenic
392 48413641,CO[P+](=O)OC,carcinogenic
393 48413642,COP(=O)(C)OC,carcinogenic
394 48413643,COP(=O)(N1CCOCC1)OC,carcinogenic
395 48413644,CC1=CC(=NC(=N1)C2=CC=C(O2)[N+](=O)[O-])C,carcinogenic
396 48413645,CC1=NC=C(N1C)[N+](=O)[O-],carcinogenic
397 48413646,COC(=O)C1=CC=C(C=C1)C(=O)OC,non-carcinogenic
398 48413647,CC(=O)N(C)C,non-carcinogenic
399 48413648,CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl,carcinogenic
400 48413649,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogenic
401 48413650,CN(C)CNC1=NN=C(O1)C=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
402 48413654,CC[NH2+]C(=O)N(CCN(C)C)N=O.N(=O)[O-],carcinogenic
403 48413655,CC1=C(C(=CC=C1)C)N,non-carcinogenic
404 48413656,CN(C)C1=CC=CC=C1,carcinogenic
405 48413657,C[As](=O)(C)O,carcinogenic
406 48413658,CC1(C(=O)NC(=O)NC1=O)C,non-carcinogenic
407 48413660,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl,carcinogenic
408 48413663,CCCCCCCCCCCC[N+](C)(C)[O-],non-carcinogenic
409 48413664,CN(C)C=O,non-carcinogenic
410 48413665,CN(C)N,non-carcinogenic
411 48413667,CN(C)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
412 48413668,CN(C)[N+](=O)[O-],carcinogenic
413 48413669,CNC(=S)NC,non-carcinogenic
414 48413670,CC(=CCl)C,carcinogenic
415 48413671,CC(C)(C)C1=CC(=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
416 48413675,CN1C=NC(=C1C(=O)N(C)N=O)N(C)N=O,carcinogenic
417 48413676,C1CN(CCN(C1)N=O)N=O,carcinogenic
418 48413677,C1N2CN(CN1CN(C2)N=O)N=O,non-carcinogenic
419 48413679,CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-],carcinogenic
420 48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
421 48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
422 48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
423 48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
424 48413684,C1COCCO1,carcinogenic
425 48413685,CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC,non-carcinogenic
426 48413687,CCCCCN(CCCCC)N=O,carcinogenic
427 48413688,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogenic
428 48413689,C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3,non-carcinogenic
429 48413692,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,non-carcinogenic
430 48413693,CCCN(CCC)C1=CC=C(C=C1)N=NC2=CC=[N+](C=C2)[O-],non-carcinogenic
431 48413694,CCC(O)OC(CC)O,non-carcinogenic
432 48413695,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+],non-carcinogenic
433 48413696,C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+],non-carcinogenic
434 48413697,C(=S)(N)NNC(=S)N,non-carcinogenic
435 48413698,C(=S)(C(=S)N)N,non-carcinogenic
436 48413699,CCCCCCCCCCCCC(=O)COC1=C(C(=O)OC1C(CO)O)O,non-carcinogenic
437 48413701,C1=CC(=C(C=C1CC(C(=O)O)N)O)O,non-carcinogenic
438 48413702,C1=CC(=C(C=C1CCN)O)O.Cl,non-carcinogenic
439 48413703,C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O)F,non-carcinogenic
440 48413704,CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O,carcinogenic
441 48413708,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.O.[Na+].[Na+].[Na+],non-carcinogenic
442 48413709,CCO.CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5.Cl,non-carcinogenic
443 48413710,C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O,non-carcinogenic
444 48413713,CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O,non-carcinogenic
445 48413715,C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
446 48413716,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
447 48413720,CC(C(C1=CC=CC=C1)O)NC.CC(C(C1=CC=CC=C1)O)NC.OS(=O)(=O)O,non-carcinogenic
448 48413721,C1C(O1)CCl,carcinogenic
449 48413724,CCC1CO1,carcinogenic
450 48413725,C(C(C1C(=C(C(=O)O1)O)O)O)[O-].[Na+],non-carcinogenic
451 48413726,CCCCCCCCCCCCCCCCCC(=O)[O-].CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)[NH+](C)C)O)(C)O)C)C)O)(C)O,non-carcinogenic
452 48413727,C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4,non-carcinogenic
453 48413729,CC12CCC3C(C1CCC2OC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)CC6=CC=C(C=C6)N(CCCl)CCCl,non-carcinogenic
454 48413731,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O,carcinogenic
455 48413732,CCC1=NC=CC(=C1)C(=S)N,non-carcinogenic
456 48413733,CCSCCC(C(=O)O)N,carcinogenic
457 48413734,CCSCCC(C(=O)O)N,carcinogenic
458 48413735,CCOC1=CC=C(C=C1)NC(=O)N,carcinogenic
459 48413737,CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C,non-carcinogenic
460 48413738,CCOC(=O)C=C,carcinogenic
461 48413739,CCO,carcinogenic
462 48413740,CCN=[N+](CC)[O-],carcinogenic
463 48413741,CC[N+](=NC)[O-],carcinogenic
464 48413743,CCSCC(C(=O)O)N,non-carcinogenic
465 48413744,CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl,non-carcinogenic
466 48413746,CCOC(=O)C1C(O1)(C)C2=CC=CC=C2,non-carcinogenic
467 48413748,CCN(C(=O)N)N=O,carcinogenic
468 48413749,CCN(CC)C(=S)S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,non-carcinogenic
469 48413750,CCOC1=C(C(=O)OC1C(CO)O)O,non-carcinogenic
470 48413751,CCC1=CC=CC=C1,carcinogenic
471 48413755,C1CO1,carcinogenic
472 48413756,C1CNC(=S)N1,carcinogenic
473 48413759,C1CC2C(O2)CC1C3CO3,non-carcinogenic
474 48413760,CCCCC(CC)CO,non-carcinogenic
475 48413761,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,non-carcinogenic
476 48413762,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,carcinogenic
477 48413764,CCN(C(=O)NCCO)N=O,carcinogenic
478 48413765,CCN(C(=O)NCC(=O)C)N=O,carcinogenic
479 48413766,CCN(C#N)N=O,carcinogenic
480 48413767,CCC(C1=CC=CC=C1)C(=O)NC(=O)N,non-carcinogenic
481 48413769,CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C,non-carcinogenic
482 48413770,CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O,non-carcinogenic
483 48413772,COC1=C(C=CC(=C1)CC=C)O,non-carcinogenic
484 48413773,C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.Cl,non-carcinogenic
485 48413774,CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+],non-carcinogenic
486 48413775,CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC,non-carcinogenic
487 48413776,CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,non-carcinogenic
488 48413777,[Cl-].[Cl-].[Cl-].[Fe+3],non-carcinogenic
489 48413781,CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,non-carcinogenic
490 48413782,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,carcinogenic
491 48413783,CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F,non-carcinogenic
492 48413784,C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C(F)(F)F,carcinogenic
493 48413785,[F-].[Na+],non-carcinogenic
494 48413787,CC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)F,carcinogenic
495 48413788,C(CF)N(C(=O)N)N=O,carcinogenic
496 48413789,C1=C(C(=O)NC(=O)N1)F,non-carcinogenic
497 48413790,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl,non-carcinogenic
498 48413791,CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F,carcinogenic
499 48413792,C=O,carcinogenic
500 48413793,C1=COC(=C1)C2=CSC(=N2)NNC=O,non-carcinogenic
501 48413794,CC1=CSC(=N1)NNC=O,carcinogenic
502 48413795,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NNC=O,carcinogenic
503 48413796,C(=O)NNC(=S)N,non-carcinogenic
504 48413798,CCOP(=O)=O.CCOP(=O)=O.CCOP(=O)=O.[Al+3],carcinogenic
505 48413799,CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O,carcinogenic
506 48413800,C1=COC(=C1)C=NNC(=O)N,non-carcinogenic
507 48413801,C1=COC=C1,carcinogenic
508 48413802,C1=COC(=C1)C=O,carcinogenic
509 48413803,C1=COC(=C1)CO,carcinogenic
510 48413804,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl,non-carcinogenic
511 48413805,CC1=CC2C(C(C1=O)O)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)CO,non-carcinogenic
512 48413806,C1=C(C=C(C(=C1O)O)O)C(=O)O,non-carcinogenic
513 48413807,CC(C)(CCCCCCC(C)(C)CO)CO,non-carcinogenic
514 48413808,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,carcinogenic
515 48413810,CC(=CCCC(=CCOC(=O)C)C)C,non-carcinogenic
516 48413813,CC1=CC=CN2C1=NC3=C2N=C(C=C3)N,carcinogenic
517 48413814,C1=CC2=NC3=C(N2C=C1)N=C(C=C3)N,carcinogenic
518 48413818,C(CC=O)CC=O,non-carcinogenic
519 48413819,C(C(CO)O)O,non-carcinogenic
520 48413819,C(C(CO)O)O,non-carcinogenic
521 48413821,C(C(CCl)O)O,non-carcinogenic
522 48413822,C1C(O1)C=O,non-carcinogenic
523 48413823,C1C(O1)CO,carcinogenic
524 48413824,C(C(=O)O)N,carcinogenic
525 48413826,CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C,non-carcinogenic
526 48413828,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.[Na+],carcinogenic
527 48413829,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+],carcinogenic
528 48413830,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=C(C=C(C=C5)O)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
529 48413834,C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl,carcinogenic
530 48413835,C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4O)O)O)O)O,carcinogenic
531 48413836,C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
532 48413837,C1CCCNCCC1,non-carcinogenic
533 48413838,CCCCCCCN,non-carcinogenic
534 48413839,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
535 48413840,C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl,carcinogenic
536 48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
537 48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
538 48413845,C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl,non-carcinogenic
539 48413846,C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl,carcinogenic
540 48413847,C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl,non-carcinogenic
541 48413848,CC=CC=CC=O,carcinogenic
542 48413850,C1N2CN3CN1CN(C2)C3,non-carcinogenic
543 48413851,C(N(CO)C1=NC(=NC(=N1)N(CO)CO)N(CO)CO)O,carcinogenic
544 48413852,CN(C)P(=O)(N(C)C)N(C)C,carcinogenic
545 48413854,CCCCCC(=O)N,non-carcinogenic
546 48413855,CCCCCC,non-carcinogenic
547 48413856,CCCCCCOC1=C(C(=C(C(=C1)C)O)C)C,non-carcinogenic
548 48413857,CCCCCCN(C(=O)N)N=O,carcinogenic
549 48413858,CCCCCCC1=C(C=C(C=C1)O)O,non-carcinogenic
550 48413859,C1=C(NC=N1)CC(C(=O)O)N.Cl,non-carcinogenic
551 48413861,NN,carcinogenic
552 48413862,NN.OS(=O)(=O)O,carcinogenic
553 48413863,C1=CC(=CC=C1C2=CSC(=N2)NN)N,carcinogenic
554 48413864,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NN,carcinogenic
555 48413865,C1=CC(=CC=C1C2=CSC(=N2)NN)[N+](=O)[O-],carcinogenic
556 48413866,C1=CC=C(C=C1)C2=CSC(=N2)NN,non-carcinogenic
557 48413869,C1=CC=C(C=C1)NNC2=CC=CC=C2,carcinogenic
558 48413870,Cl,non-carcinogenic
559 48413871,C(C(F)(F)F)(Cl)Cl,carcinogenic
560 48413872,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,non-carcinogenic
561 48413873,CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O,non-carcinogenic
562 48413875,C1=CC(=CC=C1O)O,carcinogenic
563 48413877,CC(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)O,non-carcinogenic
564 48413878,CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)O,carcinogenic
565 48413879,C1=CC=C(C=C1)C2=CC(=C(C=C2)N)O,non-carcinogenic
566 48413881,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O,carcinogenic
567 48413883,C1CN(C(=O)N1CCO)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
568 48413884,CCNC(=O)N(CCO)N=O,carcinogenic
569 48413885,C(CO)N(C(=O)N)N=O,carcinogenic
570 48413886,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])NCCO,carcinogenic
571 48413888,C(CN(C(=O)N)N=O)CO,carcinogenic
572 48413889,C1=CC2=C(C(=C1)O)N=CC=C2,non-carcinogenic
573 48413890,C=CC(C1=CC2=C(C=C1)OCO2)O,carcinogenic
574 48413891,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,non-carcinogenic
575 48413892,CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,carcinogenic
576 48413893,C1=CN(N=C1NC(=NCC(F)(F)F)N)CCCCC(=O)N,carcinogenic
577 48413894,CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cl,non-carcinogenic
578 48413895,C(C(=O)O)NCC(=O)[O-].[Na+],non-carcinogenic
579 48413898,CC1(C2=C(C=CC(=C2)C3=NNC(=O)CC3)NC1=O)C,carcinogenic
580 48413899,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O,carcinogenic
581 48413900,CC(C1OCC(O1)CO)I,carcinogenic
582 48413901,C(C(=O)N)I,non-carcinogenic
583 48413902,C(I)(I)I,non-carcinogenic
584 48413903,CCN(CC)CCCNC(=O)CN1C(=C(C=N1)C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O,non-carcinogenic
585 48413904,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N,carcinogenic
586 48413905,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N.Cl,carcinogenic
587 48413906,C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl.C(=CC(=O)O)C(=O)O,non-carcinogenic
588 48413907,CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(CO)O)C,carcinogenic
589 48413908,CC(=C)C,carcinogenic
590 48413910,CC(C)CON=O,carcinogenic
591 48413911,CC(C)CN(C(=N[N+](=O)[O-])N)N=O,non-carcinogenic
592 48413912,CC(C)C=O,non-carcinogenic
593 48413915,COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=NC=C3,carcinogenic
594 48413916,C1=CN=CC=C1C(=O)NN,carcinogenic
595 48413920,CC1=CC(=O)CC(C1)(C)C,carcinogenic
596 48413921,C1CN(P(=O)(OC1)NCCCl)CCCl,carcinogenic
597 48413922,CC(=C)C=C,carcinogenic
598 48413923,CC(C)O,non-carcinogenic
599 48413925,CC(C)OC(=O)NC1=CC(=CC=C1)Cl,non-carcinogenic
600 48413929,CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C,non-carcinogenic
601 48413930,CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O,non-carcinogenic
602 48413931,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,non-carcinogenic
603 48413932,C1=C(C=C(C=C1Cl)Cl)C2=CC(=CC(=C2)Cl)Cl,non-carcinogenic
604 48413933,C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
605 48413934,CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O,non-carcinogenic
606 48413936,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)O)O,carcinogenic
607 48413937,CC(=O)[O-].CC(=O)[O-].[Pb+2],carcinogenic
608 48413938,CC(=O)O[Pb]OC(=O)C.O.O.O.O.[Pb].[Pb],carcinogenic
609 48413939,CN(C)C(=S)S[Pb]SC(=S)N(C)C,non-carcinogenic
610 48413941,CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl,non-carcinogenic
611 48413942,CC1=CCC(CC1)C(=C)C,carcinogenic
612 48413943,CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C,non-carcinogenic
613 48413945,CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl.Cl,non-carcinogenic
614 48413946,C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O,non-carcinogenic
615 48413947,CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3,non-carcinogenic
616 48413948,CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,non-carcinogenic
617 48413949,CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3,carcinogenic
618 48413950,CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C.Cl.Cl.Cl,carcinogenic
619 48413954,CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC,non-carcinogenic
620 48413955,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,non-carcinogenic
621 48413956,C1=CC(=O)NNC1=O,non-carcinogenic
622 48413957,C(=C[O-])C=O.[Na+],carcinogenic
623 48413958,C(CNC(=S)[S-])NC(=S)[S-].[Mn+2],carcinogenic
624 48413959,O.[O-]S(=O)(=O)[O-].[Mn+2],non-carcinogenic
625 48413960,CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl.Cl,non-carcinogenic
626 48413961,C(C(C(C(C(CO)O)O)O)O)O,non-carcinogenic
627 48413962,C(CCl)NCC(C(C(C(CNCCCl)O)O)O)O,non-carcinogenic
628 48413963,CC1=C(N=C2C(=C1)C3=CC=CC=C3N2)[NH3+].CC(=O)[O-],carcinogenic
629 48413965,CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)N,carcinogenic
630 48413966,C1(=NC(=NC(=N1)N)N)N,carcinogenic
631 48413967,CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O,non-carcinogenic
632 48413968,C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl,carcinogenic
633 48413969,CC1CCC(C(C1)O)C(C)C,non-carcinogenic
634 48413970,CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)(C3=CC=CC=C3)O,non-carcinogenic
635 48413971,C1=CC=C2C(=C1)NC(=S)S2,carcinogenic
636 48413973,C(CS(=O)(=O)[O-])S.[Na+],non-carcinogenic
637 48413974,C1=NC2=C(N1)C(=S)N=CN2,non-carcinogenic
638 48413975,[Cl-].[Cl-].[Hg+2],carcinogenic
639 48413977,C[Hg]Cl,non-carcinogenic
640 48413979,CC1CN1P(=O)(N2CC2C)N3CC3C,carcinogenic
641 48413980,CC(=C)C#N,non-carcinogenic
642 48413981,CN(C)CCN(CC1=CC=CO1)C2=CC=CC=N2,non-carcinogenic
643 48413982,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2,non-carcinogenic
644 48413983,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.Cl,carcinogenic
645 48413985,CN1C=CNC1=S,carcinogenic
646 48413986,CSCCC(C(=O)O)N,non-carcinogenic
647 48413987,CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,non-carcinogenic
648 48413990,COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)N,carcinogenic
649 48413991,COC1=CC=CC(=C1O)O,carcinogenic
650 48413992,COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl,non-carcinogenic
651 48413993,COC1=CC=C(C=C1)O,carcinogenic
652 48413995,COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,carcinogenic
653 48413996,CCN=[N+](C)[O-],carcinogenic
654 48413997,CBr,non-carcinogenic
655 48413998,CC(C)(C)OC,carcinogenic
656 48413999,COC(=O)N,carcinogenic
657 48414000,COC(=O)NN,non-carcinogenic
658 48414001,CC1=C(C=CC(=C1)Cl)OCC(=O)O,non-carcinogenic
659 48414002,CC(C)(C(=O)OC)OC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,carcinogenic
660 48414004,CC1=CC(=CC=C1)N=NC2=CC=C(C=C2)N(C)C,carcinogenic
661 48414005,CN(C1=CC=C(C=C1)N=O)N=O,carcinogenic
662 48414008,CCCCCC(C=CC=CCCCCCCCC(=O)OC)OO,non-carcinogenic
663 48414009,CCCCCC=CCC=CCCCCCCCC(=O)OC,non-carcinogenic
664 48414010,CC(=C)C(=O)OC,non-carcinogenic
665 48414012,CN(C(=N[N+](=O)[O-])N)N=O,carcinogenic
666 48414013,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-],carcinogenic
667 48414014,CC1CN(C(=O)N1)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
668 48414015,CN(C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)N=O,carcinogenic
669 48414016,CN(C(=O)C1=CC=CC=C1)N=O,carcinogenic
670 48414017,CN(C(=O)NCCCC(C(=O)O)N)N=O,carcinogenic
671 48414018,CC1CCCCN1N=O,carcinogenic
672 48414019,CC1CCCCN1N=O,carcinogenic
673 48414021,COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogenic
674 48414022,CN1CCCC1=O,non-carcinogenic
675 48414025,CC(C1=CC=CC=C1)O,carcinogenic
676 48414027,CC1=CC(=C(C=C1)O)O,carcinogenic
677 48414028,CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1,carcinogenic
678 48414029,CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O.O.O,non-carcinogenic
679 48414030,CC(C)C(=O)OC1=C(C=C(C=C1)CCNC)OC(=O)C(C)C.Cl,non-carcinogenic
680 48414031,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N,carcinogenic
681 48414032,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl,non-carcinogenic
682 48414033,CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C)N,carcinogenic
683 48414034,C(Cl)Cl,carcinogenic
684 48414035,CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C,carcinogenic
685 48414036,CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O,non-carcinogenic
686 48414037,C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl,carcinogenic
687 48414038,CCC(=NO)C,carcinogenic
688 48414039,COC1=C(C=C(C=C1)CC=C)OC,carcinogenic
689 48414040,CN=C(N)N,non-carcinogenic
690 48414041,CN1C=NC2=C1C(=O)N=C(N2)N,non-carcinogenic
691 48414044,CC1=C(C=CC(=C1)O)O,non-carcinogenic
692 48414045,CC1=NC=CN1,carcinogenic
693 48414048,CN[N+](=O)[O-],carcinogenic
694 48414049,CN(CCCC(C1=CN=CC=C1)O)N=O,carcinogenic
695 48414050,CN(CCCC(=O)C1=CN=CC=C1)N=O,carcinogenic
696 48414053,CN(C#N)N=O,carcinogenic
697 48414054,C=CC(=O)NCO,non-carcinogenic
698 48414055,COC(=O)C(C1CCCCN1)C2=CC=CC=C2.Cl,non-carcinogenic
699 48414056,CC1=CC2=C(C=C1)N=CC=C2,non-carcinogenic
700 48414057,CC1=CC=CC2=C1N=CC=C2,non-carcinogenic
701 48414060,CC1=CC2=C(C=C1)SC3=CC=CC=C3N=C2N4CCN(CC4)C,non-carcinogenic
702 48414061,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],non-carcinogenic
703 48414062,CC1=NC=C(N1CCO)[N+](=O)[O-],carcinogenic
704 48414063,CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC,non-carcinogenic
705 48414064,CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C,carcinogenic
706 48414065,C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
707 48414066,C12C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
708 48414067,CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O,non-carcinogenic
709 48414068,CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N,carcinogenic
710 48414069,O=[Mo](=O)=O,non-carcinogenic
711 48414071,C(C(=O)O)Cl,non-carcinogenic
712 48414072,CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O,carcinogenic
713 48414073,C[As](=O)(O)O,non-carcinogenic
714 48414074,CNC(=O)C1=C(N=CN1C)N(C)N=O,carcinogenic
715 48414075,C(C(C(=O)[O-])N)C(=O)O.[Na+],non-carcinogenic
716 48414077,C(CC(=O)O)C(C(=O)[O-])N.[Na+],non-carcinogenic
717 48414078,C(CC(=O)[O-])C(=O)O.[Na+],non-carcinogenic
718 48414079,C1COCCN1C2=NC(=NC3=CC=CC=C32)C4=CC=C(S4)[N+](=O)[O-],carcinogenic
719 48414080,C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-].Cl,carcinogenic
720 48414081,CS(=O)(=O)OCCCCOS(=O)(=O)C,non-carcinogenic
721 48414082,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CCCC3=CC=CC=C23,carcinogenic
722 48414083,CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,carcinogenic
723 48414084,C1=CC=C2C=CC=CC2=C1,carcinogenic
724 48414087,C1=CC2=C(C=CC=C2N)C(=C1)N,carcinogenic
725 48414088,C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl,non-carcinogenic
726 48414092,C1=CC=C2C=C(C=CC2=C1)N,carcinogenic
727 48414094,CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O,non-carcinogenic
728 48414096,[Ni],non-carcinogenic
729 48414099,O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2],non-carcinogenic
730 48414101,CN1CCCC1C2=CN=CC=C2,non-carcinogenic
731 48414107,CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-],carcinogenic
732 48414108,[N+](=O)([O-])[O-].[Na+],non-carcinogenic
733 48414110,C(C(=O)O)N(CC(=O)O)CC(=O)O,carcinogenic
734 48414111,C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+],carcinogenic
735 48414112,N(=O)[O-].[Na+],carcinogenic
736 48414113,CCOC1=C(C=C(C=C1)NC(=O)C)[N+](=O)[O-],non-carcinogenic
737 48414114,COC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogenic
738 48414115,C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)N,carcinogenic
739 48414116,C1=C(OC(=C1)[N+](=O)[O-])C(=NO)N,non-carcinogenic
740 48414117,CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C,non-carcinogenic
741 48414118,C1=CC2=NC=C(N2C=C1)C3=CC=C(O3)[N+](=O)[O-],carcinogenic
742 48414119,C1=C(OC(=C1)[N+](=O)[O-])C2=NNC(=O)O2,carcinogenic
743 48414120,CC(=O)NCC1=NC(=NO1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
744 48414121,CC(=O)NC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
745 48414122,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC=N2,carcinogenic
746 48414123,CC(=O)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
747 48414124,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC=O,carcinogenic
748 48414125,CC(=O)NC1=NC(=NC(=N1)C2=CC=C(O2)[N+](=O)[O-])NC(=O)C,carcinogenic
749 48414126,CCC=C(CC)[N+](=O)[O-],carcinogenic
750 48414127,C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O,non-carcinogenic
751 48414128,C1=CC(=C(C=C1N)[N+](=O)[O-])N,non-carcinogenic
752 48414129,C1=CC(=C(C=C1[N+](=O)[O-])N)N,non-carcinogenic
753 48414130,CC1=C(C=C(C=C1)[N+](=O)[O-])N,non-carcinogenic
754 48414131,C1CC2=CC=CC3=C(C=CC1=C23)[N+](=O)[O-],carcinogenic
755 48414132,C1=CC(=CC=C1N)[N+](=O)[O-],non-carcinogenic
756 48414133,COC1=CC=CC=C1[N+](=O)[O-],carcinogenic
757 48414134,C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)O,non-carcinogenic
758 48414135,C1=CC=C(C=C1)[N+](=O)[O-],carcinogenic
759 48414136,C1=CC2=C(C=C1[N+](=O)[O-])NC=N2,non-carcinogenic
760 48414137,C1=CC(=CC=C1C(=O)O)[N+](=O)[O-],carcinogenic
761 48414138,CCCC[N+](=O)[O-],non-carcinogenic
762 48414139,CCC(C)[N+](=O)[O-],carcinogenic
763 48414140,CC[N+](=O)[O-],non-carcinogenic
764 48414141,C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl,carcinogenic
765 48414142,C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-],carcinogenic
766 48414143,C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
767 48414144,C1CN(C(=O)N1)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
768 48414145,N(=O)[O],non-carcinogenic
769 48414146,CN(CCCl)CCCl,carcinogenic
770 48414147,C[N+](CCCl)(CCCl)[O-],carcinogenic
771 48414148,C[N+](=O)[O-],carcinogenic
772 48414149,C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-],non-carcinogenic
773 48414150,CCC(CC)[N+](=O)[O-],carcinogenic
774 48414151,CCC[N+](=O)[O-],non-carcinogenic
775 48414152,CC(C)[N+](=O)[O-],non-carcinogenic
776 48414153,C(C[N+](=O)[O-])C(=O)O,non-carcinogenic
777 48414154,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-],carcinogenic
778 48414155,C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1,non-carcinogenic
779 48414156,C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2,carcinogenic
780 48414157,CC(C)OC1=CC=CC=C1OC(=O)N(C)N=O,carcinogenic
781 48414158,C(CC(F)(F)F)CN(CCCC(F)(F)F)N=O,carcinogenic
782 48414159,CC1CN(C(=O)NC1=O)N=O,non-carcinogenic
783 48414160,C1CN(C(=O)NC1=O)N=O,carcinogenic
784 48414161,CC(CN(CC(CO)O)N=O)O,carcinogenic
785 48414162,CC(=O)CN(CC(CO)O)N=O,carcinogenic
786 48414163,C(CO)N(CC(CO)O)N=O,carcinogenic
787 48414164,CC1CN(CC(N1C(=O)C2=CC=CC=C2)C)N=O,carcinogenic
788 48414165,C(CCl)NC(=O)N(CCO)N=O,carcinogenic
789 48414166,C1COC(CN1N=O)O,non-carcinogenic
790 48414167,CC(CN(C(=O)NCCCl)N=O)O,carcinogenic
791 48414168,CC(CN(CCO)N=O)O,carcinogenic
792 48414169,C1CN(CC1O)N=O,carcinogenic
793 48414170,CC(C)CN(C(=O)N)N=O,carcinogenic
794 48414171,CCCCCCCCCCCCN(C)N=O,carcinogenic
795 48414172,CN(C1=CC=C(C=C1)F)N=O,carcinogenic
796 48414173,CN(C1=CC=C(C=C1)[N+](=O)[O-])N=O,non-carcinogenic
797 48414174,CN(CCC1=CC=CC=C1)N=O,carcinogenic
798 48414175,CCCCCCCCCCCCCCN(C)N=O,carcinogenic
799 48414176,CCCCCCCCCCN(C)N=O,carcinogenic
800 48414177,CN(C(=O)N)N=O,carcinogenic
801 48414178,C1COC(=O)N1N=O,carcinogenic
802 48414179,CC(=O)CN(CCO)N=O,carcinogenic
803 48414180,C1CN(CN(C1)N=O)N=O,carcinogenic
804 48414181,C1CN(CC=C1)N=O,carcinogenic
805 48414182,CCN(CC(F)(F)F)N=O,carcinogenic
806 48414183,CC1=CC(N(C2=CC=CC=C12)N=O)(C)C,carcinogenic
807 48414184,CC1CN(CC(N1C)C)N=O,carcinogenic
808 48414185,C=CCN(CC(CO)O)N=O,carcinogenic
809 48414186,CC(CN(CC=C)N=O)O,carcinogenic
810 48414187,CC(=O)CN(CC=C)N=O,carcinogenic
811 48414188,C=CCN(CCO)N=O,carcinogenic
812 48414189,CCCCCN(C(=O)OCC)N=O,carcinogenic
813 48414190,C1CCN(C(C1)C2=CN=CC=C2)N=O,carcinogenic
814 48414191,CN(C(=O)NC1=NC2=CC=CC=C2S1)N=O,carcinogenic
815 48414192,CC(CN(CC(C)O)N=O)O,carcinogenic
816 48414193,CC(=O)CN(CC(=O)C)N=O,carcinogenic
817 48414194,C(C(F)(F)F)N(CC(F)(F)F)N=O,non-carcinogenic
818 48414196,CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O,non-carcinogenic
819 48414197,CCCCN(CCCC)N=O,carcinogenic
820 48414198,C(CO)N(CCO)N=O,carcinogenic
821 48414199,CCN(CC)N=O,carcinogenic
822 48414200,CN(C)N=O,carcinogenic
823 48414201,C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O,carcinogenic
824 48414202,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O,carcinogenic
825 48414203,CCCN(CCC)N=O,carcinogenic
826 48414204,C1N(CSCS1)N=O,non-carcinogenic
827 48414205,C1CCCCCCN(CCCCC1)N=O,carcinogenic
828 48414206,CC(C(C1=CC=CC=C1)O)N(C)N=O,carcinogenic
829 48414207,CCN(C)N=O,carcinogenic
830 48414208,CCN(C(=O)OCC)N=O,carcinogenic
831 48414209,COC(=O)C1=CCCN(C1)N=O,non-carcinogenic
832 48414210,C1CCCN(CCC1)N=O,carcinogenic
833 48414212,C1C(=O)NC(=O)N1N=O,carcinogenic
834 48414213,C1C(CN(C1C(=O)O)N=O)O,non-carcinogenic
835 48414214,C(C(=O)O)N(CC(=O)O)N=O,non-carcinogenic
836 48414215,CN(CCCC(=O)O)N=O,carcinogenic
837 48414216,CN(CC(CO)O)N=O,carcinogenic
838 48414217,CN(CCO)N=O,carcinogenic
839 48414218,CN(CCCO)N=O,carcinogenic
840 48414219,CC(CN(C)N=O)O,carcinogenic
841 48414220,CC(=O)CN(C)N=O,carcinogenic
842 48414221,CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)N=O,carcinogenic
843 48414222,CN(C1=CC=CC=N1)N=O,carcinogenic
844 48414223,CN(C1=CN=CC=C1)N=O,non-carcinogenic
845 48414224,CN(C1=CC=NC=C1)N=O,non-carcinogenic
846 48414225,CN(C1=CC=CC=C1)N=O,carcinogenic
847 48414227,CCCCCCCCCCCN(C)N=O,carcinogenic
848 48414228,C1COCCN1N=O,carcinogenic
849 48414229,C1CC(N(C1)N=O)C2=CN=CC=C2,carcinogenic
850 48414230,C1CC(N(C1)N=O)C2=C[N+](=CC=C2)[O-],carcinogenic
851 48414231,C1CCN(C(C1)C(=O)O)N=O,non-carcinogenic
852 48414232,C1CN(CCN1)N=O,carcinogenic
853 48414233,C1CCN(CC1)N=O,carcinogenic
854 48414234,C1CC(N(C1)N=O)C(=O)O,non-carcinogenic
855 48414235,C1CCN(C1)N=O,carcinogenic
856 48414236,CC1N(C(SC(S1)C)C)N=O,carcinogenic
857 48414237,C1CSCCN1N=O,carcinogenic
858 48414238,CC1=CC=CC=C1N=O,carcinogenic
859 48414239,CC1=CC=CC=C1[N+](=O)[O-],carcinogenic
860 48414240,CC1=CC=C(C=C1)[N+](=O)[O-],carcinogenic
861 48414245,C1=CC=C2C(=C1)C3=C(N2)C=NC=C3,non-carcinogenic
862 48414246,CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C,carcinogenic
863 48414247,C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2,non-carcinogenic
864 48414248,CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl,carcinogenic
865 48414249,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl,non-carcinogenic
866 48414252,CCCCCCCCC=CCCCCCCCC(=O)[O-].[Na+],non-carcinogenic
867 48414254,CC1=C(SSC1=S)C2=NC=CN=C2,non-carcinogenic
868 48414255,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,carcinogenic
869 48414256,C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+],carcinogenic
870 48414257,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
871 48414258,C1=C(NC(=O)NC1=O)C(=O)[O-].[Na+],non-carcinogenic
872 48414259,CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C,non-carcinogenic
873 48414260,CNCC1=CC=C(O1)CSCCNC(=NCC(C2=CC=C(C=C2)O)O)NS(=O)(=O)C,non-carcinogenic
874 48414262,CNC(=O)ON=C(C(=O)N(C)C)SC,non-carcinogenic
875 48414263,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,non-carcinogenic
876 48414264,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O,carcinogenic
877 48414265,CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O,carcinogenic
878 48414266,CC(=O)CN(C(=O)NCCCl)N=O,non-carcinogenic
879 48414267,CC(=O)CN(C(=O)N)N=O,non-carcinogenic
880 48414268,C=CC(=O)C1=CC2=C(C=C1)OCO2,non-carcinogenic
881 48414269,CC(C)NCC(COC1=CC=CC=C1OCC=C)O.Cl,non-carcinogenic
882 48414270,C1=CC(=CC=C1N)OC2=CC=C(C=C2)N,carcinogenic
883 48414271,C1COCCN1C(=S)SN2CCOCC2,carcinogenic
884 48414273,CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(=CO)C(=O)C4)C,carcinogenic
885 48414274,CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.Cl,non-carcinogenic
886 48414275,[O-][O+]=O,non-carcinogenic
887 48414276,CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN(C)CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])F)C(=O)OC.Cl,non-carcinogenic
888 48414277,CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogenic
889 48414278,C1C=C2C(=CC(=O)O2)C(O1)O,non-carcinogenic
890 48414279,CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+],non-carcinogenic
891 48414280,COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,carcinogenic
892 48414281,C(C(Cl)(Cl)Cl)(Cl)Cl,non-carcinogenic
893 48414282,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-],non-carcinogenic
894 48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogenic
895 48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogenic
896 48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogenic
897 48414286,C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-],non-carcinogenic
898 48414288,CCCCCN(C(=N[N+](=O)[O-])N)N=O,non-carcinogenic
899 48414291,C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=CC(=O)O)C(=O)O,non-carcinogenic
900 48414292,CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C,carcinogenic
901 48414293,CCOC1=CC=C(C=C1)NC(=O)C,carcinogenic
902 48414294,CC1=CC(=O)N(N1C)C2=CC=CC=C2,carcinogenic
903 48414295,C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl,carcinogenic
904 48414296,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C,carcinogenic
905 48414297,C1=CC=C(C=C1)CCN=C=S,non-carcinogenic
906 48414298,C1=CC=C(C=C1)CCN=C(N)N=C(N)N.Cl,non-carcinogenic
907 48414299,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,non-carcinogenic
908 48414300,CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Na+],carcinogenic
909 48414301,C1=CC=C(C=C1)O,non-carcinogenic
910 48414302,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,carcinogenic
911 48414304,CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl,carcinogenic
912 48414305,CN(C)N=NC1=CC=CC=C1,carcinogenic
913 48414307,CC1=NN(C(=O)C1)C2=CC=CC=C2,non-carcinogenic
914 48414308,C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2,non-carcinogenic
915 48414309,C1=CC=C(C=C1)NC2=CC=C(C=C2)N.Cl,non-carcinogenic
916 48414310,C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N,carcinogenic
917 48414311,C1=CC=C(C=C1)C(=CCCCCC(=O)O)C2=CN=CC=C2,non-carcinogenic
918 48414312,C1=CC=C(C=C1)NC(=S)N,non-carcinogenic
919 48414313,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32,carcinogenic
920 48414314,CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,carcinogenic
921 48414316,C1=CC(=CC=C1N)N,non-carcinogenic
922 48414317,C1=CC(=CC(=C1)N)N.Cl.Cl,non-carcinogenic
923 48414318,C1=CC=C(C(=C1)N)N.Cl.Cl,carcinogenic
924 48414319,C1=CC(=CC=C1N)N.Cl.Cl,non-carcinogenic
925 48414320,CNCC(C1=CC(=CC=C1)O)O.Cl,non-carcinogenic
926 48414321,COC1=C(C=CC(=C1)C=CC(=O)OCCC2=CC=CC=C2)O,non-carcinogenic
927 48414323,C1C(O1)COC2=CC=CC=C2,carcinogenic
928 48414324,C1=CC=C(C=C1)CCCCCCN=C=S,non-carcinogenic
929 48414329,C1=CC=C(C=C1)C2=CC=CC=C2O,carcinogenic
930 48414331,C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+],carcinogenic
931 48414332,C1=CC=C(C=C1)CCCN=C=S,non-carcinogenic
932 48414333,CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N.Cl,carcinogenic
933 48414336,P,non-carcinogenic
934 48414337,C1=CC=C(C(=C1)C(=O)N)C(=O)N,non-carcinogenic
935 48414338,C1=CC=C2C(=C1)C(=O)OC2=O,non-carcinogenic
936 48414339,C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N,non-carcinogenic
937 48414341,CCC1C(COC1=O)CC2=CN=CN2C,non-carcinogenic
938 48414342,CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O,non-carcinogenic
939 48414343,C1CNCCN1,non-carcinogenic
940 48414344,C1CCNCC1,non-carcinogenic
941 48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogenic
942 48414347,CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2,non-carcinogenic
943 48414348,CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C.Cl,non-carcinogenic
944 48414349,CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3,non-carcinogenic
945 48414350,CC1(COC1=O)C,carcinogenic
946 48414352,C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)Br)Br,carcinogenic
947 48414353,C1=CC(=C(C(=C1C2=CC(=C(C(=C2)Br)Br)Br)Br)Br)Br,non-carcinogenic
948 48414355,CCCCCCCCCC1=CC=C(C=C1)OCCOCCO,non-carcinogenic
949 48414356,CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO,non-carcinogenic
950 48414357,C=CC1=CC=CC=[N+]1[O-],non-carcinogenic
951 48414358,C(=O)(O)[O-].[K+],carcinogenic
952 48414359,[Cl-].[K+],non-carcinogenic
953 48414360,[K+].[I-],carcinogenic
954 48414361,CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O,non-carcinogenic
955 48414362,C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.O,non-carcinogenic
956 48414363,C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4,non-carcinogenic
957 48414364,C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2,non-carcinogenic
958 48414365,CC12CC(C3C(C1CCC2(C(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)O)CCC5=CC(=O)C=CC35C)O,carcinogenic
959 48414366,CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O,carcinogenic
960 48414368,CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])C1CCC2=O.[Na+],non-carcinogenic
961 48414370,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,non-carcinogenic
962 48414371,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,non-carcinogenic
963 48414372,CC(C)NC(=O)C1=CC=C(C=C1)CNNC,carcinogenic
964 48414373,CC(C)NC(=O)C1=CC=C(C=C1)CNNC.Cl,carcinogenic
965 48414375,CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl,non-carcinogenic
966 48414378,C1COS(=O)(=O)C1,carcinogenic
967 48414380,C1COC1=O,carcinogenic
968 48414381,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl,non-carcinogenic
969 48414384,CCCOC(=O)C1=CC(=C(C(=C1)O)O)O,non-carcinogenic
970 48414386,CCCN(C(=N[N+](=O)[O-])N)N=O,carcinogenic
971 48414387,CCCN(C(=O)N)N=O,carcinogenic
972 48414388,CC=C,non-carcinogenic
973 48414389,CC(CO)O,non-carcinogenic
974 48414390,CC(COC(C)(C)C)O,non-carcinogenic
975 48414391,CC1CO1,carcinogenic
976 48414393,CCCC1=CC(=O)NC(=S)N1,carcinogenic
977 48414395,CCNNC(=O)C1C(C(C2=CC3=C(C=C2C1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O)CO,non-carcinogenic
978 48414396,C1=CC(=C(C=C1C(=O)O)O)O,non-carcinogenic
979 48414397,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],carcinogenic
980 48414398,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O,carcinogenic
981 48414399,C1=CN=C(C=N1)C(=O)N,non-carcinogenic
982 48414400,C1=CC=NC=C1,carcinogenic
983 48414401,CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O,carcinogenic
984 48414402,CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl,non-carcinogenic
985 48414403,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O,carcinogenic
986 48414404,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O,non-carcinogenic
987 48414406,CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.Cl,non-carcinogenic
988 48414407,C1=CC(=CC=C1NO)N=O,carcinogenic
989 48414408,CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4.Cl,non-carcinogenic
990 48414409,CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)NN=C5C(=O)C=CC6=CC(=CC(=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+],carcinogenic
991 48414410,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
992 48414411,CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)[N+](=O)[O-],carcinogenic
993 48414412,COC1=C(C=C(C=C1)[N+](=O)[O-])NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-],non-carcinogenic
994 48414413,CC1=CC(=C(C=C1)NN=C2C3=C(C=CC(=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],carcinogenic
995 48414414,CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.[Ba+2],carcinogenic
996 48414415,C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC=CC=C43.[Na+],non-carcinogenic
997 48414416,CC1=CC(=C(C=C1C)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],carcinogenic
998 48414417,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C4=C(C=C(C=C4)S(=O)(=O)[O-])C=C(C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+],carcinogenic
999 48414418,C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)[O-])I)I)I)C(=O)[O-].[Na+].[Na+],non-carcinogenic
1000 48414419,CC1=CC(=C(C=C1NN=C2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+],carcinogenic
1001 48414420,CCN(CC)C1=C(C=C2C(=C1)OC3=CC(=[N+](CC)CC)C(=CC3=C2C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+],non-carcinogenic
1002 48414421,C1=CC(=C(C=C1N)[N+](=O)[O-])NCCO,non-carcinogenic
1003 48414422,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,carcinogenic
1004 48414423,C1=CC(=CC(=C1)O)O,non-carcinogenic
1005 48414424,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,non-carcinogenic
1006 48414425,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C,carcinogenic
1007 48414426,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C,non-carcinogenic
1008 48414427,CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O)C,carcinogenic
1009 48414428,CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.Cl,non-carcinogenic
1010 48414429,CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O,carcinogenic
1011 48414430,CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C,non-carcinogenic
1012 48414431,CCN1C2=C(C(=N1)C)NC(=O)CN=C2C3=CC=CC=C3,non-carcinogenic
1013 48414432,CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl,non-carcinogenic
1014 48414433,C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl,carcinogenic
1015 48414434,CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC,non-carcinogenic
1016 48414435,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.OS(=O)(=O)O,non-carcinogenic
1017 48414436,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O,non-carcinogenic
1018 48414437,C1=CC=C2C(=C1)C(=O)NS2(=O)=O,non-carcinogenic
1019 48414438,C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].[Ca+2],non-carcinogenic
1020 48414439,C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+],carcinogenic
1021 48414440,C=CCC1=CC2=C(C=C1)OCO2,carcinogenic
1022 48414441,CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O,carcinogenic
1023 48414442,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O,carcinogenic
1024 48414444,CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.O.O.O.Br,non-carcinogenic
1025 48414450,S=[Se],carcinogenic
1026 48414451,CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)O)C,carcinogenic
1027 48414452,CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl,non-carcinogenic
1028 48414453,C1OC2=C(O1)C=C(C=C2)O,carcinogenic
1029 48414455,C(=O)(O)[O-].[Na+],non-carcinogenic
1030 48414457,[Na+].[Cl-],non-carcinogenic
1031 48414458,[O-]Cl=O.[Na+],non-carcinogenic
1032 48414459,CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Na+].[Na+].[Na+].[Cu+2],non-carcinogenic
1033 48414460,CCN(CC)C(=S)[S-].O.O.O.[Na+],non-carcinogenic
1034 48414461,[O-]Cl.[Na+],non-carcinogenic
1035 48414462,[O-]P(=O)=O.[Na+],non-carcinogenic
1036 48414463,CC=CC=CC(=O)O,non-carcinogenic
1037 48414464,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl,non-carcinogenic
1038 48414466,COC1=C2C(=C3C4C=COC4OC3=C1)OC5=C(C2=O)C(=CC=C5)O,carcinogenic
1039 48414467,CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O,non-carcinogenic
1040 48414469,CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogenic
1041 48414471,C=CC1=CC=CC=C1,carcinogenic
1042 48414472,C1=CC=C(C=C1)C=C[N+](=O)[O-],non-carcinogenic
1043 48414473,C1C(O1)C2=CC=CC=C2,carcinogenic
1044 48414474,C1CC(=O)OC1=O,non-carcinogenic
1045 48414477,CC(C)C(=O)OCC1C(C(C(O1)(COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C,non-carcinogenic
1046 48414478,CCN(CC)C(=S)SCC(=C)Cl,carcinogenic
1047 48414481,CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N,non-carcinogenic
1048 48414483,C1C=CCS1(=O)=O,non-carcinogenic
1049 48414484,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C,carcinogenic
1050 48414485,CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O,non-carcinogenic
1051 48414486,CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O,non-carcinogenic
1052 48414487,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O,carcinogenic
1053 48414489,COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC,non-carcinogenic
1054 48414490,CN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N.O.O.O.O,non-carcinogenic
1055 48414491,CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,carcinogenic
1056 48414494,C(CS(=O)(=O)O)N,non-carcinogenic
1057 48414495,C1CC(OC1)N2C=C(C(=O)NC2=O)F,non-carcinogenic
1058 48414497,C(C=CCl)Cl,carcinogenic
1059 48414497,C(C=CCl)Cl,carcinogenic
1060 48414500,CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O,carcinogenic
1061 48414501,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)N)N)N.Cl.Cl.Cl.Cl,carcinogenic
1062 48414502,COC1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl,non-carcinogenic
1063 48414503,C1=C(C(=CC(=C1Cl)N)Cl)C2=CC(=C(C=C2Cl)N)Cl,non-carcinogenic
1064 48414504,C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl,carcinogenic
1065 48414506,C(C(Cl)(Cl)Cl)Cl,non-carcinogenic
1066 48414507,C(C(Cl)Cl)(Cl)Cl,non-carcinogenic
1067 48414508,C(=C(Cl)Cl)(Cl)Cl,carcinogenic
1068 48414510,CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl,non-carcinogenic
1069 48414511,CCN(CC)C(=S)SSC(=S)N(CC)CC,non-carcinogenic
1070 48414512,C1(=C(C(=C(C(=C1F)F)F)N)F)N.Cl.Cl,non-carcinogenic
1071 48414513,C(C(F)(F)F)F,carcinogenic
1072 48414514,C(=C(F)F)(F)F,carcinogenic
1073 48414515,C1CCON(C1)N=O,carcinogenic
1074 48414516,CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O,non-carcinogenic
1075 48414517,C1CCOC1,carcinogenic
1076 48414518,C1CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O,non-carcinogenic
1077 48414519,C(O)[P+](CO)(CO)CO.[Cl-],non-carcinogenic
1078 48414520,C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-],non-carcinogenic
1079 48414521,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogenic
1080 48414523,C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],carcinogenic
1081 48414524,CN(C)CCN(CC1=CSC=C1)C2=CC=CC=N2,non-carcinogenic
1082 48414525,CN1C2=C(C(=O)N(C1=O)C)NC=N2,non-carcinogenic
1083 48414526,C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3,non-carcinogenic
1084 48414527,CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O,non-carcinogenic
1085 48414528,C1CN1P(=S)(N2CC2)N3CC3,carcinogenic
1086 48414529,CC(=S)N,carcinogenic
1087 48414530,CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O,non-carcinogenic
1088 48414532,C(#N)[S-].[Na+],non-carcinogenic
1089 48414533,C1=CC(=CC=C1N)SC2=CC=C(C=C2)N,carcinogenic
1090 48414534,C1C(C(OC1N2C=NC3=C2NC(=NC3=S)N)CO)O,carcinogenic
1091 48414535,C(=S)(N)NN,non-carcinogenic
1092 48414536,C1=CNC(=S)NC1=O,carcinogenic
1093 48414537,C(=S)(N)N,carcinogenic
1094 48414538,CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O,non-carcinogenic
1095 48414539,CC(C)(C)NCC(COC1=CN(C(=O)C2=CC=CC=C21)C)O.Cl,non-carcinogenic
1096 48414540,[Cl-].[Cl-].[Sn+2],non-carcinogenic
1097 48414541,O=[Ti]=O,non-carcinogenic
1098 48414543,C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4],non-carcinogenic
1099 48414544,CC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O,non-carcinogenic
1100 48414545,CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C,non-carcinogenic
1101 48414547,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2,non-carcinogenic
1102 48414548,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C,non-carcinogenic
1103 48414549,CC1=CC=CC=C1,carcinogenic
1104 48414550,CC1=C(C=C(C=C1)N=C=O)N=C=O,carcinogenic
1105 48414551,CC1=CC=CC=C1S(=O)(=O)N,carcinogenic
1106 48414552,CC1=CC(=CC=C1)N.Cl,non-carcinogenic
1107 48414553,CC1=CC=CC=C1N.Cl,carcinogenic
1108 48414554,CC1=CC=C(C=C1)N.Cl,non-carcinogenic
1109 48414555,CC1=CC=C(C=C1)NC(=O)N,non-carcinogenic
1110 48414556,CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,non-carcinogenic
1111 48414557,C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl,non-carcinogenic
1112 48414559,C1CN1C2=CC(=O)C(=C(C2=O)N3CC3)N4CC4,carcinogenic
1113 48414560,CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)C,carcinogenic
1114 48414562,C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N,non-carcinogenic
1115 48414563,C(Br)(Br)Br,carcinogenic
1116 48414564,CCCCOP(=O)(OCCCC)OCCCC,carcinogenic
1117 48414565,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,carcinogenic
1118 48414567,C(C(F)(Cl)Cl)(F)(F)Cl,non-carcinogenic
1119 48414568,C(=O)(C(Cl)(Cl)Cl)O,non-carcinogenic
1120 48414569,C1=C(C=C(C(=C1Cl)N)Cl)Cl,non-carcinogenic
1121 48414570,C(C(Cl)Cl)Cl,non-carcinogenic
1122 48414571,CC(Cl)(Cl)Cl,non-carcinogenic
1123 48414572,C(=C(Cl)Cl)Cl,carcinogenic
1124 48414572,C(=C(Cl)Cl)Cl,carcinogenic
1125 48414574,C(F)(Cl)(Cl)Cl,non-carcinogenic
1126 48414575,C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl,non-carcinogenic
1127 48414576,C1=C(C=C(C(=C1Cl)O)Cl)Cl,carcinogenic
1128 48414578,C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O,non-carcinogenic
1129 48414579,COP(=O)(C(C(Cl)(Cl)Cl)O)OC,non-carcinogenic
1130 48414580,C(C(CCl)Cl)Cl,carcinogenic
1131 48414581,CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C,non-carcinogenic
1132 48414582,C(CO)N(CCO)CCO,non-carcinogenic
1133 48414583,C(COCCOCCO)O,non-carcinogenic
1134 48414584,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)C(F)(F)F,carcinogenic
1135 48414585,CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],non-carcinogenic
1136 48414586,CC1(C(=O)N(C(=O)O1)C)C,non-carcinogenic
1137 48414587,CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C,non-carcinogenic
1138 48414588,CC1=CC(=C(C=C1C)N)C,carcinogenic
1139 48414589,CC1=CC(=C(C=C1C)N)C.Cl,carcinogenic
1140 48414590,CC1=CC(=C(C(=C1)C)N)C.Cl,carcinogenic
1141 48414591,C[As](=O)(C)C,carcinogenic
1142 48414592,CC1=CC(=C(C=C1)C)C,carcinogenic
1143 48414593,COP(=O)(OC)OC,non-carcinogenic
1144 48414594,CNC(=S)N(C)C,carcinogenic
1145 48414596,C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
1146 48414597,C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-],carcinogenic
1147 48414599,C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O,non-carcinogenic
1148 48414600,CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3.O.Cl,non-carcinogenic
1149 48414601,C(CCl)OP(=O)(OCCCl)OCCCl,carcinogenic
1150 48414603,C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br,carcinogenic
1151 48414604,C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl,carcinogenic
1152 48414605,CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC,non-carcinogenic
1153 48414606,CC(CN(CC(C)O)CC(C)O)O,non-carcinogenic
1154 48414607,CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCCCC,non-carcinogenic
1155 48414608,CC1=C(N=C(C2=C1NC3=CC=CC=C32)C)N.CC(=O)O,carcinogenic
1156 48414609,CC1=C2C3=CC=CC=C3NC2=CC(=N1)N.CC(=O)O,carcinogenic
1157 48414610,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,non-carcinogenic
1158 48414611,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,non-carcinogenic
1159 48414612,[O-][W](=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
1160 48414613,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O,non-carcinogenic
1161 48414613,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O,non-carcinogenic
1162 48414616,C1=CNC(=O)NC1=O,carcinogenic
1163 48414617,CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC,non-carcinogenic
1164 48414618,C(=O)(N)N,non-carcinogenic
1165 48414619,CCOC(=O)N,carcinogenic
1166 48414620,[O-]S(=O)(=O)[O-].O=[V+2],non-carcinogenic
1167 48414622,CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O,non-carcinogenic
1168 48414623,CC(=O)OC=C,carcinogenic
1169 48414624,C=CBr,carcinogenic
1170 48414626,C=CCl,carcinogenic
1171 48414627,C=CF,carcinogenic
1172 48414628,CC1=CC=CC(=C1)C=C,non-carcinogenic
1173 48414630,C=C(Cl)Cl,non-carcinogenic
1174 48414631,C=C(F)F,non-carcinogenic
1175 48414632,C=CN1CCCC1=O,carcinogenic
1176 48414633,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-].[Na+],carcinogenic
1177 48414634,C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO,non-carcinogenic
1178 48414635,CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)OC.Cl.Cl,non-carcinogenic
1179 48414638,CC1=C(C(=CC=C1)C)NC2=NCCCS2.Cl,non-carcinogenic
1180 48414639,CC1=CC(=CC=C1)C,carcinogenic
1181 48414639,CC1=CC(=CC=C1)C,carcinogenic
1182 48414641,CC1=CC(=C(C=C1)N)C.Cl,non-carcinogenic
1183 48414642,CC1=CC(=C(C=C1)C)N.Cl,carcinogenic
1184 48414643,CC1=CC(=NNC2=CC=C(C=C2)NC(=O)C)C(=O)C=C1,carcinogenic
1185 48414644,CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4)Cl)Cl,non-carcinogenic
1186 48414645,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=C(C=C3)Cl)Cl)C)NC(=O)C(C(=O)C)N=NC4=C(C=C(C=C4)Cl)Cl,non-carcinogenic
1187 48414646,CC(=O)C(C(=O)NC1=CC(=C(C=C1OC)Cl)OC)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl)Cl,non-carcinogenic
1188 48414647,C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O,non-carcinogenic
1189 48414648,C1=CC(=CC=C1NN=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],non-carcinogenic
1190 48414649,C1=CC(=CC=C1NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
1191 48414651,C1=CC(=C(C=C1[N+](=O)[O-])OCCO)NCCO,non-carcinogenic
1192 48414652,CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)N4C)C.C(=CC(=O)O)C(=O)O,non-carcinogenic
1193 48414653,CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O,non-carcinogenic
1194 48414654,CC(=O)[O-].CC(=O)[O-].O.O.[Zn+2],non-carcinogenic
1195 48414657,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2],carcinogenic
1196 48414658,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],carcinogenic