0 B3R0.2 B(C)(C)O CHEBI:38276 [0,0,0,0,0,0|1,0,0]=1 1 B3R0.2 B(F)(F)F CHEBI:33093 [0,0,0,0,0,0|4,0,0]=4 2 B3R0.2 B(O)(O)O CHEBI:33118 [0,0,0,0,0,0|3,0,0]=3 3 B3R0.2 B(O)(O)[O-] CHEBI:29254 [0,0,0,0,0,0|3,0,0]=3 4 B3R0.2 B(O)([O-])[O-] CHEBI:29255 [0,0,0,0,0,0|3,0,0]=3 5 B3R0.2 B([O-])([O-])[O-] CHEBI:22908 [0,0,0,0,0,0|3,0,1]=4 6 B3R0.2 B([O-])([O-])[O-] CHEBI:38909 [0,0,0,0,0,0|3,0,1]=4 7 B3R0.2 B([O-])([O-])[O-] CHEBI:38910 [0,0,0,0,0,0|3,0,1]=4 8 B3R0.2 B([O-])([O-])[O-] CHEBI:38911 [0,0,0,0,0,0|3,0,1]=4 9 B3R0.2 BB(B)B CHEBI:33600 [0,0,0,0,0,0|4,0,0]=4 10 B3R0.2 Br[Ag-2](Br)Br CHEBI:30533 [0,0,0,0,0,0|4,0,0]=4 11 B3R0.2 Br[Au](Br)Br CHEBI:30079 [0,0,0,0,0,0|4,0,0]=4 12 B3R0.2 C(=N)(N)N CHEBI:42820 [0,0,0,0,0,0|3,0,1]=4 13 B3R0.2 C(=N)(N)O CHEBI:48376 [0,0,0,0,0,0|2,0,1]=3 14 B3R0.2 C(=O)(Cl)Cl CHEBI:29365 [0,0,0,0,0,0|2,0,2]=4 15 B3R0.2 C(=O)(N)N CHEBI:16199 [0,0,0,0,0,0|2,0,2]=4 16 B3R0.2 C(=O)(N)N CHEBI:75178 [0,0,0,0,0,0|2,0,2]=4 17 B3R0.2 C(=O)(N)O CHEBI:28616 [0,0,0,0,0,0|2,0,1]=3 18 B3R0.2 C(=O)(N)[O-] CHEBI:13941 [0,0,0,0,0,0|2,0,2]=4 19 B3R0.2 C(=O)(O)O CHEBI:28976 [0,0,0,0,0,0|2,0,1]=3 20 B3R0.2 C(=O)(O)S CHEBI:36959 [0,0,0,0,0,0|2,0,1]=3 21 B3R0.2 C(=O)(O)[O-] CHEBI:17544 [0,0,0,0,0,0|2,0,1]=3 22 B3R0.2 C(=O)(O)[O-] CHEBI:32139 [0,0,0,0,0,0|2,0,1]=3 23 B3R0.2 C(=O)(O)[O-] CHEBI:81862 [0,0,0,0,0,0|2,0,1]=3 24 B3R0.2 C(=O)(O)[O] CHEBI:29789 [0,0,0,0,0,0|2,0,1]=3 25 B3R0.2 C(=O)(S)S CHEBI:36966 [0,0,0,0,0,0|2,0,2]=4 26 B3R0.2 C(=O)([O-])[O-] CHEBI:131526 [0,0,0,0,0,0|2,0,2]=4 27 B3R0.2 C(=O)([O-])[O-] CHEBI:29377 [0,0,0,0,0,0|2,0,2]=4 28 B3R0.2 C(=O)([O-])[O-] CHEBI:31793 [0,0,0,0,0,0|2,0,2]=4 29 B3R0.2 C(=O)([O-])[O-] CHEBI:3311 [0,0,0,0,0,0|2,0,2]=4 30 B3R0.2 C(=O)([O-])[O-] CHEBI:41609 [0,0,0,0,0,0|2,0,2]=4 31 B3R0.2 C(=O)([O-])[O-] CHEBI:6504 [0,0,0,0,0,0|2,0,2]=4 32 B3R0.2 C(=O)([O-])[O-] CHEBI:86235 [0,0,0,0,0,0|2,0,2]=4 33 B3R0.2 C(=O)([O-])[O] CHEBI:29376 [0,0,0,0,0,0|2,0,2]=4 34 B3R0.2 C(=S)(Cl)Cl CHEBI:29366 [0,0,0,0,0,0|2,1,1]=4 35 B3R0.2 C(=S)(N)N CHEBI:36946 [0,0,0,0,0,0|2,1,1]=4 36 B3R0.2 C(=S)(O)O CHEBI:36958 [0,0,0,0,0,0|2,0,1]=3 37 B3R0.2 C(=S)(O)S CHEBI:36965 [0,0,0,0,0,0|2,0,1]=3 38 B3R0.2 C(=S)(S)S CHEBI:36967 [0,0,0,0,0,0|2,1,1]=4 39 B3R0.2 C(=S)(S)[S-] CHEBI:50556 [0,0,0,0,0,0|2,1,1]=4 40 B3R0.2 C(=S)([S-])[S-] CHEBI:30258 [0,0,0,0,0,0|2,1,1]=4 41 B3R0.2 C(=[NH2+])(N)N CHEBI:30087 [0,0,0,0,0,0|3,0,1]=4 42 B3R0.2 C(=[NH2+])(N)N CHEBI:32735 [0,0,0,0,0,0|3,0,1]=4 43 B3R0.2 C(=[Se])(N)N CHEBI:36957 [0,0,0,0,0,0|2,1,1]=4 44 B3R0.2 C(=[Se])([SeH])[SeH] CHEBI:36968 [0,0,0,0,0,0|2,1,1]=4 45 B3R0.2 C(Br)(Br)Br CHEBI:38682 [0,0,0,0,0,0|3,0,0]=3 46 B3R0.2 C(Cl)(Cl)Br CHEBI:34591 [0,0,0,0,0,0|3,0,0]=3 47 B3R0.2 C(Cl)(Cl)Cl CHEBI:35255 [0,0,0,0,0,0|3,0,0]=3 48 B3R0.2 C(F)(F)F CHEBI:41550 [0,0,0,0,0,0|3,0,0]=3 49 B3R0.2 C(I)(I)I CHEBI:37758 [0,0,0,0,0,0|3,0,0]=3 50 B3R0.2 C=C(Cl)Cl CHEBI:34031 [0,0,0,0,0,0|2,0,2]=4 51 B3R0.2 CC(=C)C CHEBI:43907 [0,0,0,0,0,0|1,0,1]=2 52 B3R0.2 CC(=N)N CHEBI:38478 [0,0,0,0,0,0|2,0,1]=3 53 B3R0.2 CC(=N)O CHEBI:49028 [0,0,0,0,0,0|1,0,1]=2 54 B3R0.2 CC(=O)C CHEBI:15347 [0,0,0,0,0,0|0,0,2]=2 55 B3R0.2 CC(=O)Cl CHEBI:37580 [0,0,0,0,0,0|1,0,2]=3 56 B3R0.2 CC(=O)N CHEBI:27856 [0,0,0,0,0,0|1,0,2]=3 57 B3R0.2 CC(=O)O CHEBI:132481 [0,0,0,0,0,0|1,0,1]=2 58 B3R0.2 CC(=O)O CHEBI:15366 [0,0,0,0,0,0|1,0,1]=2 59 B3R0.2 CC(=O)S CHEBI:16555 [0,0,0,0,0,0|1,0,2]=3 60 B3R0.2 CC(=O)[O-] CHEBI:30089 [0,0,0,0,0,0|1,0,2]=3 61 B3R0.2 CC(=O)[O-] CHEBI:32029 [0,0,0,0,0,0|1,0,2]=3 62 B3R0.2 CC(=O)[O-] CHEBI:32138 [0,0,0,0,0,0|1,0,2]=3 63 B3R0.2 CC(=O)[O-] CHEBI:32954 [0,0,0,0,0,0|1,0,2]=3 64 B3R0.2 CC(=O)[O-] CHEBI:3310 [0,0,0,0,0,0|1,0,2]=3 65 B3R0.2 CC(=O)[O-] CHEBI:59199 [0,0,0,0,0,0|1,0,2]=3 66 B3R0.2 CC(=O)[O-] CHEBI:62947 [0,0,0,0,0,0|1,0,2]=3 67 B3R0.2 CC(=O)[O-] CHEBI:62964 [0,0,0,0,0,0|1,0,2]=3 68 B3R0.2 CC(=O)[O-] CHEBI:62984 [0,0,0,0,0,0|1,0,2]=3 69 B3R0.2 CC(=O)[O-] CHEBI:63045 [0,0,0,0,0,0|1,0,2]=3 70 B3R0.2 CC(=O)[O-] CHEBI:63078 [0,0,0,0,0,0|1,0,2]=3 71 B3R0.2 CC(=O)[O-] CHEBI:63879 [0,0,0,0,0,0|1,0,2]=3 72 B3R0.2 CC(=O)[O-] CHEBI:75192 [0,0,0,0,0,0|1,0,2]=3 73 B3R0.2 CC(=O)[O-] CHEBI:85138 [0,0,0,0,0,0|1,0,2]=3 74 B3R0.2 CC(=O)[S-] CHEBI:30320 [0,0,0,0,0,0|1,0,2]=3 75 B3R0.2 CC(=S)C CHEBI:36580 [0,0,0,0,0,0|0,1,1]=2 76 B3R0.2 CC(=S)N CHEBI:32497 [0,0,0,0,0,0|1,1,1]=3 77 B3R0.2 CC(=S)O CHEBI:46800 [0,0,0,0,0,0|1,0,1]=2 78 B3R0.2 CC(C)C CHEBI:30363 [0,0,0,0,0,0|1,0,0]=1 79 B3R0.2 CC(C)N CHEBI:15739 [0,0,0,0,0,0|1,0,0]=1 80 B3R0.2 CC(C)O CHEBI:17824 [0,0,0,0,0,0|0,0,0]=0 81 B3R0.2 CC(C)S CHEBI:8474 [0,0,0,0,0,0|0,1,0]=1 82 B3R0.2 CC(C)[NH3+] CHEBI:57492 [0,0,0,0,0,0|1,0,0]=1 83 B3R0.2 CN(C)C CHEBI:18139 [0,0,0,0,0,0|2,0,0]=2 84 B3R0.2 CN(C)C CHEBI:64700 [0,0,0,0,0,0|2,0,0]=2 85 B3R0.2 CN(C)N CHEBI:18853 [0,0,0,0,0,0|2,0,0]=2 86 B3R0.2 CP(C)C CHEBI:35890 [0,0,0,0,0,0|2,0,0]=2 87 B3R0.2 CS(=O)C CHEBI:28262 [0,0,0,0,0,0|1,0,1]=2 88 B3R0.2 CS(=O)O CHEBI:133897 [0,0,0,0,0,0|2,0,0]=2 89 B3R0.2 CS(=O)[O-] CHEBI:133603 [0,0,0,0,0,0|2,0,1]=3 90 B3R0.2 C[As](C)C CHEBI:27130 [0,0,0,0,0,0|2,0,0]=2 91 B3R0.2 C[As](C)O CHEBI:23808 [0,0,0,0,0,0|1,0,0]=1 92 B3R0.2 C[As](O)O CHEBI:17826 [0,0,0,0,0,0|2,0,0]=2 93 B3R0.2 C[As]([O-])[O-] CHEBI:14597 [0,0,0,0,0,0|2,0,1]=3 94 B3R0.2 C[N+](=O)[O-] CHEBI:77701 [0,0,0,0,0,0|2,0,1]=3 95 B3R0.2 C[NH+](C)C CHEBI:58389 [0,0,0,0,0,0|2,0,0]=2 96 B3R0.2 C[S+](C)C CHEBI:17434 [0,0,0,0,0,0|2,0,0]=2 97 B3R0.2 C[Se+](C)C CHEBI:77058 [0,0,0,0,0,0|2,0,0]=2 98 B3R0.2 C[Se](=O)O CHEBI:77012 [0,0,0,0,0,0|2,0,0]=2 99 B3R0.2 C[SnH](C)C CHEBI:63948 [0,0,0,0,0,0|2,0,0]=2 100 B3R0.2 Cl[As](Cl)Cl CHEBI:63952 [0,0,0,0,0,0|4,0,0]=4 101 B3R0.2 Cl[Au](Cl)Cl CHEBI:30076 [0,0,0,0,0,0|4,0,0]=4 102 B3R0.2 Cl[Ce](Cl)Cl CHEBI:35458 [0,0,0,0,0,0|4,0,0]=4 103 B3R0.2 Cl[Fe-](Cl)Cl CHEBI:30810 [0,0,0,0,0,0|4,0,0]=4 104 B3R0.2 Cl[Fe](Cl)Cl CHEBI:30808 [0,0,0,0,0,0|4,0,0]=4 105 B3R0.2 Cl[Fe](Cl)Cl CHEBI:86254 [0,0,0,0,0,0|4,0,0]=4 106 B3R0.2 Cl[Gd](Cl)Cl CHEBI:37288 [0,0,0,0,0,0|4,0,0]=4 107 B3R0.2 Cl[Mo](Cl)Cl CHEBI:30626 [0,0,0,0,0,0|4,0,0]=4 108 B3R0.2 Cl[Ni-](Cl)Cl CHEBI:30388 [0,0,0,0,0,0|4,0,0]=4 109 B3R0.2 Cl[Sb](Cl)Cl CHEBI:74856 [0,0,0,0,0,0|4,0,0]=4 110 B3R0.2 Cl[Sn-](Cl)Cl CHEBI:30474 [0,0,0,0,0,0|4,0,0]=4 111 B3R0.2 FCl(F)F CHEBI:30123 [0,0,0,0,0,0|4,0,0]=4 112 B3R0.2 FP(F)F CHEBI:30205 [0,0,0,0,0,0|4,0,0]=4 113 B3R0.2 F[Ag](F)F CHEBI:30338 [0,0,0,0,0,0|4,0,0]=4 114 B3R0.2 F[Al](F)F CHEBI:49464 [0,0,0,0,0,0|4,0,0]=4 115 B3R0.2 F[Au](F)F CHEBI:30077 [0,0,0,0,0,0|4,0,0]=4 116 B3R0.2 F[Mg-](F)F CHEBI:49739 [0,0,0,0,0,0|4,0,0]=4 117 B3R0.2 F[Mo](F)F CHEBI:30625 [0,0,0,0,0,0|4,0,0]=4 118 B3R0.2 F[Ni-](F)F CHEBI:30389 [0,0,0,0,0,0|4,0,0]=4 119 B3R0.2 I[Hg-](I)I CHEBI:36569 [0,0,0,0,0,0|4,0,0]=4 120 B3R0.2 I[Hg-](I)I CHEBI:51567 [0,0,0,0,0,0|4,0,0]=4 121 B3R0.2 N(=O)(=O)[O-] CHEBI:32130 [0,0,0,0,0,0|3,0,1]=4 122 B3R0.2 N(Cl)(Cl)Cl CHEBI:37382 [0,0,0,0,0,0|4,0,0]=4 123 B3R0.2 N(F)(F)Cl CHEBI:37383 [0,0,0,0,0,0|4,0,0]=4 124 B3R0.2 N(F)(F)F CHEBI:30231 [0,0,0,0,0,0|4,0,0]=4 125 B3R0.2 N([O-])([O-])[O] CHEBI:29795 [0,0,0,0,0,0|3,0,1]=4 126 B3R0.2 NP(O)O CHEBI:59748 [0,0,0,0,0,0|3,0,0]=3 127 B3R0.2 NS(=N)O CHEBI:51964 [0,0,0,0,0,0|3,0,0]=3 128 B3R0.2 N[N+](=O)[O-] CHEBI:29273 [0,0,0,0,0,0|3,0,1]=4 129 B3R0.2 O=Br(=O)[O] CHEBI:29887 [0,0,0,0,0,0|3,0,1]=4 130 B3R0.2 O=Cl(=O)[O] CHEBI:29416 [0,0,0,0,0,0|3,0,1]=4 131 B3R0.2 O=I(=O)[O] CHEBI:29906 [0,0,0,0,0,0|3,0,1]=4 132 B3R0.2 O=S(=O)=O CHEBI:29384 [0,0,0,0,0,0|3,0,1]=4 133 B3R0.2 O=S(Cl)Cl CHEBI:29290 [0,0,0,0,0,0|3,0,1]=4 134 B3R0.2 O=[Br+](=O)=O CHEBI:29886 [0,0,0,0,0,0|3,0,1]=4 135 B3R0.2 O=[Cl+](=O)=O CHEBI:29417 [0,0,0,0,0,0|3,0,1]=4 136 B3R0.2 O=[Cr](=O)=O CHEBI:48240 [0,0,0,0,0,0|3,0,1]=4 137 B3R0.2 O=[I+](=O)=O CHEBI:29907 [0,0,0,0,0,0|3,0,1]=4 138 B3R0.2 O=[Mo](=O)=O CHEBI:30627 [0,0,0,0,0,0|3,0,1]=4 139 B3R0.2 O=[Mo](=O)S CHEBI:47566 [0,0,0,0,0,0|3,0,1]=4 140 B3R0.2 O=[Zr](Cl)Cl CHEBI:53479 [0,0,0,0,0,0|3,0,1]=4 141 B3R0.2 OBr(=O)=O CHEBI:49382 [0,0,0,0,0,0|3,0,0]=3 142 B3R0.2 OCl(=O)=O CHEBI:17322 [0,0,0,0,0,0|3,0,0]=3 143 B3R0.2 OI(=O)=O CHEBI:24857 [0,0,0,0,0,0|3,0,0]=3 144 B3R0.2 OP(=O)O CHEBI:44976 [0,0,0,0,0,0|3,0,0]=3 145 B3R0.2 OP(=O)[O-] CHEBI:33462 [0,0,0,0,0,0|3,0,0]=3 146 B3R0.2 OP(=S)O CHEBI:50151 [0,0,0,0,0,0|3,0,0]=3 147 B3R0.2 OP(O)O CHEBI:36361 [0,0,0,0,0,0|3,0,0]=3 148 B3R0.2 OP(O)[O-] CHEBI:29258 [0,0,0,0,0,0|3,0,0]=3 149 B3R0.2 OP([O-])[O-] CHEBI:29259 [0,0,0,0,0,0|3,0,0]=3 150 B3R0.2 OP([O-])[O] CHEBI:29927 [0,0,0,0,0,0|3,0,0]=3 151 B3R0.2 OS(=O)=O CHEBI:29214 [0,0,0,0,0,0|3,0,0]=3 152 B3R0.2 OS(=O)O CHEBI:48854 [0,0,0,0,0,0|3,0,0]=3 153 B3R0.2 OS(=O)S CHEBI:35926 [0,0,0,0,0,0|3,0,0]=3 154 B3R0.2 OS(=O)[O-] CHEBI:17137 [0,0,0,0,0,0|3,0,0]=3 155 B3R0.2 OS(=O)[O-] CHEBI:26709 [0,0,0,0,0,0|3,0,0]=3 156 B3R0.2 OS(=O)[S-] CHEBI:35945 [0,0,0,0,0,0|3,0,0]=3 157 B3R0.2 OS(=S)O CHEBI:50152 [0,0,0,0,0,0|3,0,0]=3 158 B3R0.2 O[Al](O)O CHEBI:33130 [0,0,0,0,0,0|3,0,0]=3 159 B3R0.2 O[AsH](=O)O CHEBI:29850 [0,0,0,0,0,0|3,0,0]=3 160 B3R0.2 O[AsH](=O)[O-] CHEBI:64448 [0,0,0,0,0,0|3,0,0]=3 161 B3R0.2 O[As](O)O CHEBI:49900 [0,0,0,0,0,0|3,0,0]=3 162 B3R0.2 O[As](O)[O-] CHEBI:29242 [0,0,0,0,0,0|3,0,0]=3 163 B3R0.2 O[As]([O-])[O-] CHEBI:29243 [0,0,0,0,0,0|3,0,0]=3 164 B3R0.2 O[SbH](=O)O CHEBI:30298 [0,0,0,0,0,0|3,0,0]=3 165 B3R0.2 O[Sb](O)O CHEBI:49870 [0,0,0,0,0,0|3,0,0]=3 166 B3R0.2 O[SeH](=O)=O CHEBI:29217 [0,0,0,0,0,0|3,0,0]=3 167 B3R0.2 O[Se](=O)O CHEBI:26642 [0,0,0,0,0,0|3,0,0]=3 168 B3R0.2 O[Se](=O)[O-] CHEBI:29924 [0,0,0,0,0,0|3,0,0]=3 169 B3R0.2 O[TeH](=O)=O CHEBI:30466 [0,0,0,0,0,0|3,0,0]=3 170 B3R0.2 O[Te](=O)O CHEBI:30465 [0,0,0,0,0,0|3,0,0]=3 171 B3R0.2 O[Te](=O)[O-] CHEBI:33522 [0,0,0,0,0,0|3,0,0]=3 172 B3R0.2 P(Cl)(Cl)Cl CHEBI:30334 [0,0,0,0,0,0|4,0,0]=4 173 B3R0.2 [*]B(O)O CHEBI:38269 [0,0,0,0,0,0|3,0,0]=3 174 B3R0.2 [*]B([*])O CHEBI:38270 [0,0,0,0,0,0|3,0,0]=3 175 B3R0.2 [*]C(=O)O CHEBI:33575 [0,0,0,0,0,0|2,0,1]=3 176 B3R0.2 [*]C(=O)[*] CHEBI:17087 [0,0,0,0,0,0|2,0,2]=4 177 B3R0.2 [*]C(=O)[O-] CHEBI:78892 [0,0,0,0,0,0|2,0,2]=4 178 B3R0.2 [*]C(=O)[O-] CHEBI:78893 [0,0,0,0,0,0|2,0,2]=4 179 B3R0.2 [*]C(=O)[O-] CHEBI:90582 [0,0,0,0,0,0|2,0,2]=4 180 B3R0.2 [*]C(=S)[*] CHEBI:36579 [0,0,0,0,0,0|2,1,1]=4 181 B3R0.2 [*]C(O)O CHEBI:63733 [0,0,0,0,0,0|2,0,0]=2 182 B3R0.2 [*]N([*])[*] CHEBI:32876 [0,0,0,0,0,0|4,0,0]=4 183 B3R0.2 [13C](=O)(N)N CHEBI:32285 [0,0,0,0,0,0|2,0,2]=4 184 B3R0.2 [Al](Cl)(Cl)Cl CHEBI:30114 [0,0,0,0,0,0|4,0,0]=4 185 B3R0.2 [Al](Cl)(Cl)Cl CHEBI:30115 [0,0,0,0,0,0|4,0,0]=4 186 B3R0.2 [Be-](F)(F)F CHEBI:30498 [0,0,0,0,0,0|4,0,0]=4 187 B3R0.2 [C](Cl)(Cl)Cl CHEBI:30737 [0,0,0,0,0,0|3,0,1]=4 188 B3R0.2 [Li]C(=C)C CHEBI:51485 [0,0,0,0,0,0|1,0,2]=3 189 B3R0.2 [Li]C(=C)F CHEBI:51483 [0,0,0,0,0,0|2,0,2]=4 190 B3R0.2 [Li]N([Li])[Li] CHEBI:30525 [0,0,0,0,0,0|4,0,0]=4 191 B3R0.2 [N+](=O)(O)[O-] CHEBI:48107 [0,0,0,0,0,0|3,0,0]=3 192 B3R0.2 [N+](=O)([O-])[O-] CHEBI:17632 [0,0,0,0,0,0|3,0,1]=4 193 B3R0.2 [N+](=O)([O-])[O-] CHEBI:63005 [0,0,0,0,0,0|3,0,1]=4 194 B3R0.2 [N+](=O)([O-])[O-] CHEBI:63038 [0,0,0,0,0,0|3,0,1]=4 195 B3R0.2 [N+](=O)([O-])[O-] CHEBI:63043 [0,0,0,0,0,0|3,0,1]=4 196 B3R0.2 [N+](=O)([O-])[O-] CHEBI:63315 [0,0,0,0,0,0|3,0,1]=4 197 B3R0.2 [N+](=O)([O-])[O-] CHEBI:63882 [0,0,0,0,0,0|3,0,1]=4 198 B3R0.2 [N+](=O)([O-])[O-] CHEBI:64205 [0,0,0,0,0,0|3,0,1]=4 199 B3R0.2 [N+](=O)([O-])[O-] CHEBI:64736 [0,0,0,0,0,0|3,0,1]=4 200 B3R0.2 [N+](=O)([O-])[O-] CHEBI:77732 [0,0,0,0,0,0|3,0,1]=4 201 B3R0.2 [N+](=O)([O-])[O-] CHEBI:78036 [0,0,0,0,0,0|3,0,1]=4 202 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86156 [0,0,0,0,0,0|3,0,1]=4 203 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86159 [0,0,0,0,0,0|3,0,1]=4 204 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86204 [0,0,0,0,0,0|3,0,1]=4 205 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86206 [0,0,0,0,0,0|3,0,1]=4 206 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86209 [0,0,0,0,0,0|3,0,1]=4 207 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86214 [0,0,0,0,0,0|3,0,1]=4 208 B3R0.2 [N+](=O)([O-])[O] CHEBI:29329 [0,0,0,0,0,0|3,0,1]=4 209 B3R0.2 [NH+](O)(O)[O-] CHEBI:37769 [0,0,0,0,0,0|3,0,0]=3 210 B3R0.2 [O-]Br(=O)=O CHEBI:29223 [0,0,0,0,0,0|3,0,1]=4 211 B3R0.2 [O-]Br(=O)=O CHEBI:38211 [0,0,0,0,0,0|3,0,1]=4 212 B3R0.2 [O-]Br(=O)=O CHEBI:75229 [0,0,0,0,0,0|3,0,1]=4 213 B3R0.2 [O-]Cl(=O)=O CHEBI:49709 [0,0,0,0,0,0|3,0,1]=4 214 B3R0.2 [O-]Cl(=O)=O CHEBI:65242 [0,0,0,0,0,0|3,0,1]=4 215 B3R0.2 [O-]F(=O)=O CHEBI:132769 [0,0,0,0,0,0|3,0,1]=4 216 B3R0.2 [O-]I(=O)=O CHEBI:29226 [0,0,0,0,0,0|3,0,1]=4 217 B3R0.2 [O-]P(=O)=O CHEBI:30932 [0,0,0,0,0,0|3,0,1]=4 218 B3R0.2 [O-]P(=O)[O-] CHEBI:16215 [0,0,0,0,0,0|3,0,1]=4 219 B3R0.2 [O-]P([O-])[O-] CHEBI:45064 [0,0,0,0,0,0|3,0,1]=4 220 B3R0.2 [O-]P([O-])[O] CHEBI:29930 [0,0,0,0,0,0|3,0,1]=4 221 B3R0.2 [O-]S(=O)=O CHEBI:33543 [0,0,0,0,0,0|3,0,1]=4 222 B3R0.2 [O-]S(=O)S CHEBI:35943 [0,0,0,0,0,0|3,0,1]=4 223 B3R0.2 [O-]S(=O)[O-] CHEBI:17359 [0,0,0,0,0,0|3,0,1]=4 224 B3R0.2 [O-]S(=O)[O-] CHEBI:86477 [0,0,0,0,0,0|3,0,1]=4 225 B3R0.2 [O-]S(=O)[O] CHEBI:29405 [0,0,0,0,0,0|3,0,1]=4 226 B3R0.2 [O-]S(=O)[S-] CHEBI:29257 [0,0,0,0,0,0|3,0,1]=4 227 B3R0.2 [O-][AsH](=O)[O-] CHEBI:29754 [0,0,0,0,0,0|3,0,1]=4 228 B3R0.2 [O-][As]([O-])[O-] CHEBI:29866 [0,0,0,0,0,0|3,0,1]=4 229 B3R0.2 [O-][Sb]([O-])[O-] CHEBI:30297 [0,0,0,0,0,0|3,0,1]=4 230 B3R0.2 [O-][Se](=O)[O-] CHEBI:131361 [0,0,0,0,0,0|3,0,1]=4 231 B3R0.2 [O-][Se](=O)[O-] CHEBI:18212 [0,0,0,0,0,0|3,0,1]=4 232 B3R0.2 [O-][Se](=O)[O-] CHEBI:48843 [0,0,0,0,0,0|3,0,1]=4 233 B3R0.2 [O-][Si](=O)[O-] CHEBI:132108 [0,0,0,0,0,0|2,1,1]=4 234 B3R0.2 [O-][Si](=O)[O-] CHEBI:60720 [0,0,0,0,0,0|2,1,1]=4 235 B3R0.2 [O-][Si](=O)[O] CHEBI:30199 [0,0,0,0,0,0|2,1,1]=4 236 B3R0.2 [O-][Te](=O)[O-] CHEBI:30477 [0,0,0,0,0,0|3,0,1]=4 237 B3R0.2 [O-][Te](=O)[O-] CHEBI:75248 [0,0,0,0,0,0|3,0,1]=4 238 B3R0.2 [O-][Te](=O)[O] CHEBI:30478 [0,0,0,0,0,0|3,0,1]=4 239 B3R0.2 [O-][V](=O)=O CHEBI:132095 [0,0,0,0,0,0|3,0,1]=4 240 B3R0.2 [O-][V](=O)=O CHEBI:132765 [0,0,0,0,0,0|3,0,1]=4 241 B3R0.2 [O-][V](=O)=O CHEBI:75221 [0,0,0,0,0,0|3,0,1]=4 242 B3R0.2 [O-][V](=O)=O CHEBI:75224 [0,0,0,0,0,0|3,0,1]=4 243 B2R0.1 B(=O)[O-] CHEBI:75227 [1,0,0,0,0,0|2,0,1]=4 244 B2R0.1 B(O)O CHEBI:38267 [1,0,0,0,0,0|2,0,0]=3 245 B2R0.1 BB=B CHEBI:33603 [1,0,0,0,0,0|3,0,0]=4 246 B2R0.1 BBB CHEBI:33602 [1,0,0,0,0,0|3,0,0]=4 247 B2R0.1 Br[Hg]Br CHEBI:49639 [1,0,0,0,0,0|3,0,0]=4 248 B2R0.1 C#N=S CHEBI:29428 [1,0,0,0,0,0|1,1,1]=4 249 B2R0.1 C#N=[Se] CHEBI:29777 [1,0,0,0,0,0|1,1,1]=4 250 B2R0.1 C#[N+][O-] CHEBI:29813 [1,0,0,0,0,0|1,0,2]=4 251 B2R0.1 C(#N)N CHEBI:16698 [1,0,0,0,0,0|2,0,1]=4 252 B2R0.1 C(#N)O CHEBI:28024 [1,0,0,0,0,0|1,0,1]=3 253 B2R0.1 C(#N)S CHEBI:29200 [1,0,0,0,0,0|1,1,1]=4 254 B2R0.1 C(#N)[O-] CHEBI:29195 [1,0,0,0,0,0|1,0,2]=4 255 B2R0.1 C(#N)[O] CHEBI:29808 [1,0,0,0,0,0|1,0,2]=4 256 B2R0.1 C(#N)[S-] CHEBI:18022 [1,0,0,0,0,0|1,1,1]=4 257 B2R0.1 C(#N)[S-] CHEBI:30951 [1,0,0,0,0,0|1,1,1]=4 258 B2R0.1 C(#N)[S-] CHEBI:30952 [1,0,0,0,0,0|1,1,1]=4 259 B2R0.1 C(#N)[S] CHEBI:29425 [1,0,0,0,0,0|1,1,1]=4 260 B2R0.1 C(#N)[Se-] CHEBI:29445 [1,0,0,0,0,0|1,1,1]=4 261 B2R0.1 C(#N)[SeH] CHEBI:29778 [1,0,0,0,0,0|1,1,1]=4 262 B2R0.1 C(#N)[Se] CHEBI:29442 [1,0,0,0,0,0|1,1,1]=4 263 B2R0.1 C(#N)[Te-] CHEBI:36837 [1,0,0,0,0,0|1,1,1]=4 264 B2R0.1 C(#N)[TeH] CHEBI:36833 [1,0,0,0,0,0|1,1,1]=4 265 B2R0.1 C(=N)=N CHEBI:87623 [1,0,0,0,0,0|2,0,1]=4 266 B2R0.1 C(=N)=O CHEBI:29202 [1,0,0,0,0,0|1,0,2]=4 267 B2R0.1 C(=N)=S CHEBI:24928 [1,0,0,0,0,0|1,1,1]=4 268 B2R0.1 C(=N)=[Se] CHEBI:29779 [1,0,0,0,0,0|1,1,1]=4 269 B2R0.1 C(=N)=[Te] CHEBI:36839 [1,0,0,0,0,0|1,1,1]=4 270 B2R0.1 C(=N)N CHEBI:38477 [1,0,0,0,0,0|2,0,1]=4 271 B2R0.1 C(=N)O CHEBI:48431 [1,0,0,0,0,0|1,0,1]=3 272 B2R0.1 C(=O)=O CHEBI:16526 [1,0,0,0,0,0|1,0,2]=4 273 B2R0.1 C(=O)=S CHEBI:16573 [1,0,0,0,0,0|1,0,2]=4 274 B2R0.1 C(=O)N CHEBI:16397 [1,0,0,0,0,0|1,0,2]=4 275 B2R0.1 C(=O)O CHEBI:30751 [1,0,0,0,0,0|1,0,1]=3 276 B2R0.1 C(=O)[O-] CHEBI:15740 [1,0,0,0,0,0|1,0,2]=4 277 B2R0.1 C(=O)[O-] CHEBI:62965 [1,0,0,0,0,0|1,0,2]=4 278 B2R0.1 C(=O)[O-] CHEBI:63006 [1,0,0,0,0,0|1,0,2]=4 279 B2R0.1 C(=O)[O-] CHEBI:63050 [1,0,0,0,0,0|1,0,2]=4 280 B2R0.1 C(=O)[O-] CHEBI:63316 [1,0,0,0,0,0|1,0,2]=4 281 B2R0.1 C(=S)=S CHEBI:23012 [1,0,0,0,0,0|1,1,1]=4 282 B2R0.1 C(=[N-])=[N-] CHEBI:64301 [1,0,0,0,0,0|2,0,1]=4 283 B2R0.1 C(=[N-])=[N-] CHEBI:64302 [1,0,0,0,0,0|2,0,1]=4 284 B2R0.1 C(Br)Br CHEBI:47077 [1,0,0,0,0,0|2,0,0]=3 285 B2R0.1 C(Cl)Br CHEBI:17194 [1,0,0,0,0,0|2,0,0]=3 286 B2R0.1 C(Cl)Cl CHEBI:15767 [1,0,0,0,0,0|2,0,0]=3 287 B2R0.1 C(F)F CHEBI:47855 [1,0,0,0,0,0|2,0,0]=3 288 B2R0.1 C(N)N CHEBI:35413 [1,0,0,0,0,0|2,0,0]=3 289 B2R0.1 C(O)O CHEBI:48397 [1,0,0,0,0,0|1,0,0]=2 290 B2R0.1 C=C=C CHEBI:37601 [1,0,0,0,0,0|0,0,3]=4 291 B2R0.1 C=C=O CHEBI:48003 [1,0,0,0,0,0|0,0,3]=4 292 B2R0.1 C=CBr CHEBI:51311 [1,0,0,0,0,0|1,0,2]=4 293 B2R0.1 C=CCl CHEBI:28509 [1,0,0,0,0,0|1,0,2]=4 294 B2R0.1 C=CF CHEBI:51314 [1,0,0,0,0,0|1,0,2]=4 295 B2R0.1 C=CI CHEBI:51315 [1,0,0,0,0,0|1,0,2]=4 296 B2R0.1 C=[N+]=[N-] CHEBI:73716 [1,0,0,0,0,0|2,0,1]=4 297 B2R0.1 CC#C CHEBI:48086 [1,0,0,0,0,0|0,0,2]=3 298 B2R0.1 CC#N CHEBI:38472 [1,0,0,0,0,0|1,0,1]=3 299 B2R0.1 CC=C CHEBI:16052 [1,0,0,0,0,0|0,0,2]=3 300 B2R0.1 CC=O CHEBI:15343 [1,0,0,0,0,0|0,0,2]=3 301 B2R0.1 CC=O CHEBI:16571 [1,0,0,0,0,0|0,0,2]=3 302 B2R0.1 CCC CHEBI:32879 [1,0,0,0,0,0|0,0,0]=1 303 B2R0.1 CCCl CHEBI:47554 [1,0,0,0,0,0|1,0,0]=2 304 B2R0.1 CCI CHEBI:42487 [1,0,0,0,0,0|1,0,0]=2 305 B2R0.1 CCN CHEBI:15862 [1,0,0,0,0,0|1,0,0]=2 306 B2R0.1 CCO CHEBI:16236 [1,0,0,0,0,0|0,0,0]=1 307 B2R0.1 CCO CHEBI:17246 [1,0,0,0,0,0|0,0,0]=1 308 B2R0.1 CCP CHEBI:35889 [1,0,0,0,0,0|1,0,0]=2 309 B2R0.1 CC[Hg+] CHEBI:33204 [1,0,0,0,0,0|1,0,0]=2 310 B2R0.1 CC[NH3+] CHEBI:566789 [1,0,0,0,0,0|1,0,0]=2 311 B2R0.1 CC[NH3+] CHEBI:63880 [1,0,0,0,0,0|1,0,0]=2 312 B2R0.1 CC[O-] CHEBI:52092 [1,0,0,0,0,0|0,0,1]=2 313 B2R0.1 CC[O-] CHEBI:52096 [1,0,0,0,0,0|0,0,1]=2 314 B2R0.1 CNC CHEBI:17170 [1,0,0,0,0,0|1,0,0]=2 315 B2R0.1 COC CHEBI:28887 [1,0,0,0,0,0|1,0,0]=2 316 B2R0.1 CPC CHEBI:35888 [1,0,0,0,0,0|1,0,0]=2 317 B2R0.1 CSC CHEBI:17437 [1,0,0,0,0,0|1,0,0]=2 318 B2R0.1 CSO CHEBI:48272 [1,0,0,0,0,0|1,0,0]=2 319 B2R0.1 C[C]=O CHEBI:46887 [1,0,0,0,0,0|0,0,2]=3 320 B2R0.1 C[Hg]C CHEBI:30786 [1,0,0,0,0,0|1,0,0]=2 321 B2R0.1 C[Hg]Cl CHEBI:28216 [1,0,0,0,0,0|2,0,0]=3 322 B2R0.1 C[Mg]Cl CHEBI:51492 [1,0,0,0,0,0|2,0,0]=3 323 B2R0.1 C[N+]#[C-] CHEBI:44177 [1,0,0,0,0,0|1,0,1]=3 324 B2R0.1 C[NH2+]C CHEBI:58040 [1,0,0,0,0,0|1,0,0]=2 325 B2R0.1 C[Se]C CHEBI:4610 [1,0,0,0,0,0|1,0,0]=2 326 B2R0.1 C[Se]O CHEBI:77062 [1,0,0,0,0,0|1,0,0]=2 327 B2R0.1 C[SnH2]C CHEBI:30538 [1,0,0,0,0,0|1,0,0]=2 328 B2R0.1 C[Sn]C CHEBI:30539 [1,0,0,0,0,0|1,0,0]=2 329 B2R0.1 C[Te]C CHEBI:4613 [1,0,0,0,0,0|1,0,0]=2 330 B2R0.1 C[Zn]C CHEBI:51497 [1,0,0,0,0,0|1,0,0]=2 331 B2R0.1 Cl[223Ra]Cl CHEBI:74895 [1,0,0,0,0,0|3,0,0]=4 332 B2R0.1 Cl[Cd]Cl CHEBI:35456 [1,0,0,0,0,0|3,0,0]=4 333 B2R0.1 Cl[Cd]Cl CHEBI:63938 [1,0,0,0,0,0|3,0,0]=4 334 B2R0.1 Cl[Cu]Cl CHEBI:49553 [1,0,0,0,0,0|3,0,0]=4 335 B2R0.1 Cl[Cu]Cl CHEBI:86318 [1,0,0,0,0,0|3,0,0]=4 336 B2R0.1 Cl[Cu]Cl CHEBI:91245 [1,0,0,0,0,0|3,0,0]=4 337 B2R0.1 Cl[Fe]Cl CHEBI:30812 [1,0,0,0,0,0|3,0,0]=4 338 B2R0.1 Cl[Fe]Cl CHEBI:86249 [1,0,0,0,0,0|3,0,0]=4 339 B2R0.1 Cl[Hg]Cl CHEBI:31823 [1,0,0,0,0,0|3,0,0]=4 340 B2R0.1 Cl[Mn]Cl CHEBI:131395 [1,0,0,0,0,0|3,0,0]=4 341 B2R0.1 Cl[Mn]Cl CHEBI:63041 [1,0,0,0,0,0|3,0,0]=4 342 B2R0.1 Cl[Mn]Cl CHEBI:86368 [1,0,0,0,0,0|3,0,0]=4 343 B2R0.1 Cl[Ni]Cl CHEBI:34887 [1,0,0,0,0,0|3,0,0]=4 344 B2R0.1 Cl[Pb]Cl CHEBI:88212 [1,0,0,0,0,0|3,0,0]=4 345 B2R0.1 Cl[Pd]Cl CHEBI:53434 [1,0,0,0,0,0|3,0,0]=4 346 B2R0.1 Cl[Pt]Cl CHEBI:49801 [1,0,0,0,0,0|3,0,0]=4 347 B2R0.1 Cl[Sr]Cl CHEBI:36385 [1,0,0,0,0,0|3,0,0]=4 348 B2R0.1 F[Cl-]F CHEBI:30124 [1,0,0,0,0,0|3,0,0]=4 349 B2R0.1 I[Hg]I CHEBI:49659 [1,0,0,0,0,0|3,0,0]=4 350 B2R0.1 N#[N+][O-] CHEBI:17045 [1,0,0,0,0,0|2,0,1]=4 351 B2R0.1 N(=O)O CHEBI:25567 [1,0,0,0,0,0|2,0,0]=3 352 B2R0.1 N(=O)S CHEBI:65308 [1,0,0,0,0,0|2,0,1]=4 353 B2R0.1 N(=O)[O-] CHEBI:16301 [1,0,0,0,0,0|2,0,1]=4 354 B2R0.1 N(=O)[O-] CHEBI:78870 [1,0,0,0,0,0|2,0,1]=4 355 B2R0.1 N=S=O CHEBI:48872 [1,0,0,0,0,0|2,0,1]=4 356 B2R0.1 N=[N+]=[N-] CHEBI:29449 [1,0,0,0,0,0|3,0,0]=4 357 B2R0.1 NN=N CHEBI:35468 [1,0,0,0,0,0|3,0,0]=4 358 B2R0.1 NNN CHEBI:50155 [1,0,0,0,0,0|3,0,0]=4 359 B2R0.1 N[Zn]N CHEBI:49558 [1,0,0,0,0,0|3,0,0]=4 360 B2R0.1 O(Cl)Cl CHEBI:30198 [1,0,0,0,0,0|3,0,0]=4 361 B2R0.1 O(F)F CHEBI:30494 [1,0,0,0,0,0|3,0,0]=4 362 B2R0.1 O([Fe])[Fe] CHEBI:47411 [1,0,0,0,0,0|3,0,0]=4 363 B2R0.1 O([SiH3])[SiH3] CHEBI:48141 [1,0,0,0,0,0|1,2,0]=4 364 B2R0.1 O=Br=O CHEBI:29874 [1,0,0,0,0,0|2,0,1]=4 365 B2R0.1 O=Cl=O CHEBI:29415 [1,0,0,0,0,0|2,0,1]=4 366 B2R0.1 O=ClF CHEBI:30127 [1,0,0,0,0,0|2,0,1]=4 367 B2R0.1 O=I=O CHEBI:29901 [1,0,0,0,0,0|2,0,1]=4 368 B2R0.1 O=S=O CHEBI:18422 [1,0,0,0,0,0|2,0,1]=4 369 B2R0.1 O=[Br+]=O CHEBI:29880 [1,0,0,0,0,0|2,0,1]=4 370 B2R0.1 O=[Ce]=O CHEBI:79089 [1,0,0,0,0,0|2,0,1]=4 371 B2R0.1 O=[Cl+]=O CHEBI:29418 [1,0,0,0,0,0|2,0,1]=4 372 B2R0.1 O=[Cr]=O CHEBI:48263 [1,0,0,0,0,0|2,0,1]=4 373 B2R0.1 O=[I+]=O CHEBI:29903 [1,0,0,0,0,0|2,0,1]=4 374 B2R0.1 O=[P]=O CHEBI:37370 [1,0,0,0,0,0|2,0,1]=4 375 B2R0.1 O=[Si]=O CHEBI:30563 [1,0,0,0,0,0|1,1,1]=4 376 B2R0.1 O=[Sn]=O CHEBI:52991 [1,0,0,0,0,0|2,0,1]=4 377 B2R0.1 O=[Tc]=O CHEBI:26864 [1,0,0,0,0,0|2,0,1]=4 378 B2R0.1 O=[Th]=O CHEBI:37339 [1,0,0,0,0,0|2,0,1]=4 379 B2R0.1 O=[Ti]=O CHEBI:32234 [1,0,0,0,0,0|2,0,1]=4 380 B2R0.1 O=[U+2]=O CHEBI:43515 [1,0,0,0,0,0|2,0,1]=4 381 B2R0.1 O=[U+]=O CHEBI:29124 [1,0,0,0,0,0|2,0,1]=4 382 B2R0.1 O=[V+]=O CHEBI:30048 [1,0,0,0,0,0|2,0,1]=4 383 B2R0.1 O=[V]=O CHEBI:30047 [1,0,0,0,0,0|2,0,1]=4 384 B2R0.1 OBr=O CHEBI:29247 [1,0,0,0,0,0|2,0,0]=3 385 B2R0.1 OCl=O CHEBI:29219 [1,0,0,0,0,0|2,0,0]=3 386 B2R0.1 OF=O CHEBI:47862 [1,0,0,0,0,0|2,0,0]=3 387 B2R0.1 OI=O CHEBI:29229 [1,0,0,0,0,0|2,0,0]=3 388 B2R0.1 OOO CHEBI:46736 [1,0,0,0,0,0|2,0,0]=3 389 B2R0.1 OO[O] CHEBI:29411 [1,0,0,0,0,0|2,0,0]=3 390 B2R0.1 OO[S] CHEBI:29409 [1,0,0,0,0,0|2,0,0]=3 391 B2R0.1 OP=O CHEBI:36363 [1,0,0,0,0,0|2,0,0]=3 392 B2R0.1 OPO CHEBI:29261 [1,0,0,0,0,0|2,0,0]=3 393 B2R0.1 OS=O CHEBI:29213 [1,0,0,0,0,0|2,0,0]=3 394 B2R0.1 OSO CHEBI:33536 [1,0,0,0,0,0|2,0,0]=3 395 B2R0.1 OS[O-] CHEBI:33538 [1,0,0,0,0,0|2,0,0]=3 396 B2R0.1 OS[O] CHEBI:29408 [1,0,0,0,0,0|2,0,0]=3 397 B2R0.1 O[Al]=O CHEBI:30188 [1,0,0,0,0,0|2,0,0]=3 398 B2R0.1 O[AsH2]=O CHEBI:29840 [1,0,0,0,0,0|2,0,0]=3 399 B2R0.1 O[AsH]O CHEBI:29847 [1,0,0,0,0,0|2,0,0]=3 400 B2R0.1 O[AsH][O-] CHEBI:33410 [1,0,0,0,0,0|2,0,0]=3 401 B2R0.1 O[PH2]=O CHEBI:29031 [1,0,0,0,0,0|2,0,0]=3 402 B2R0.1 O[P][O-] CHEBI:29926 [1,0,0,0,0,0|2,0,0]=3 403 B2R0.1 O[SbH2]=O CHEBI:30300 [1,0,0,0,0,0|2,0,0]=3 404 B2R0.1 O[SbH]O CHEBI:30299 [1,0,0,0,0,0|2,0,0]=3 405 B2R0.1 O[SeH]=O CHEBI:29218 [1,0,0,0,0,0|2,0,0]=3 406 B2R0.1 O[SiH2]O CHEBI:46888 [1,0,0,0,0,0|1,1,0]=3 407 B2R0.1 O[SiH2][SiH3] CHEBI:37174 [1,0,0,0,0,0|0,2,0]=3 408 B2R0.1 O[TeH]=O CHEBI:30467 [1,0,0,0,0,0|2,0,0]=3 409 B2R0.1 PPP CHEBI:35893 [1,0,0,0,0,0|3,0,0]=4 410 B2R0.1 S=S=S CHEBI:17909 [1,0,0,0,0,0|2,1,0]=4 411 B2R0.1 S=S=S CHEBI:29388 [1,0,0,0,0,0|2,1,0]=4 412 B2R0.1 S=[Mo]=S CHEBI:30704 [1,0,0,0,0,0|2,1,0]=4 413 B2R0.1 S=[S+]#[S+] CHEBI:29400 [1,0,0,0,0,0|2,1,0]=4 414 B2R0.1 S=[Sn]=S CHEBI:50886 [1,0,0,0,0,0|2,1,0]=4 415 B2R0.1 S=[W]=S CHEBI:30521 [1,0,0,0,0,0|2,1,0]=4 416 B2R0.1 SSS CHEBI:50365 [1,0,0,0,0,0|2,1,0]=4 417 B2R0.1 SS[S-] CHEBI:30609 [1,0,0,0,0,0|2,1,0]=4 418 B2R0.1 [*]C#C CHEBI:73477 [1,0,0,0,0,0|1,0,2]=4 419 B2R0.1 [*]C=O CHEBI:17478 [1,0,0,0,0,0|1,0,2]=4 420 B2R0.1 [*]CN CHEBI:17062 [1,0,0,0,0,0|2,0,0]=3 421 B2R0.1 [*]CO CHEBI:15734 [1,0,0,0,0,0|1,0,0]=2 422 B2R0.1 [*]N[*] CHEBI:32863 [1,0,0,0,0,0|3,0,0]=4 423 B2R0.1 [*]O[*] CHEBI:25698 [1,0,0,0,0,0|3,0,0]=4 424 B2R0.1 [1H]O[1H] CHEBI:29375 [1,0,0,0,0,0|3,0,0]=4 425 B2R0.1 [2H]O[2H] CHEBI:41981 [1,0,0,0,0,0|3,0,0]=4 426 B2R0.1 [3H]O[3H] CHEBI:29374 [1,0,0,0,0,0|3,0,0]=4 427 B2R0.1 [Be](Cl)Cl CHEBI:62843 [1,0,0,0,0,0|3,0,0]=4 428 B2R0.1 [Be](F)F CHEBI:49499 [1,0,0,0,0,0|3,0,0]=4 429 B2R0.1 [C-]#N=S CHEBI:29447 [1,0,0,0,0,0|1,1,1]=4 430 B2R0.1 [C-]#[N+]O CHEBI:29814 [1,0,0,0,0,0|1,0,1]=3 431 B2R0.1 [C-]#[N+]S CHEBI:29427 [1,0,0,0,0,0|1,1,1]=4 432 B2R0.1 [C-]#[N+][O-] CHEBI:29811 [1,0,0,0,0,0|1,0,2]=4 433 B2R0.1 [C-]#[N+][Se-] CHEBI:29446 [1,0,0,0,0,0|1,1,1]=4 434 B2R0.1 [C-]#[N+][SeH] CHEBI:29776 [1,0,0,0,0,0|1,1,1]=4 435 B2R0.1 [CH2]C=O CHEBI:46886 [1,0,0,0,0,0|0,0,3]=4 436 B2R0.1 [C](=N)O CHEBI:33099 [1,0,0,0,0,0|1,0,1]=3 437 B2R0.1 [C](=N)[O-] CHEBI:29817 [1,0,0,0,0,0|1,0,2]=4 438 B2R0.1 [C](=O)N CHEBI:33100 [1,0,0,0,0,0|1,0,2]=4 439 B2R0.1 [C](=O)O CHEBI:29326 [1,0,0,0,0,0|1,0,1]=3 440 B2R0.1 [C](=O)[O-] CHEBI:29325 [1,0,0,0,0,0|1,0,2]=4 441 B2R0.1 [C](=S)[S-] CHEBI:30252 [1,0,0,0,0,0|1,1,1]=4 442 B2R0.1 [C](=[N-])O CHEBI:29818 [1,0,0,0,0,0|1,0,1]=3 443 B2R0.1 [C](=[N-])[O-] CHEBI:29812 [1,0,0,0,0,0|1,0,2]=4 444 B2R0.1 [C](Cl)Cl CHEBI:51370 [1,0,0,0,0,0|2,0,1]=4 445 B2R0.1 [H+]([OH2])[OH2] CHEBI:30197 [1,0,0,0,0,0|2,0,1]=4 446 B2R0.1 [Hg+][Hg][Hg+] CHEBI:50236 [1,0,0,0,0,0|3,0,0]=4 447 B2R0.1 [Li]C#C CHEBI:51481 [1,0,0,0,0,0|1,0,2]=4 448 B2R0.1 [Li]C=C CHEBI:51472 [1,0,0,0,0,0|1,0,2]=4 449 B2R0.1 [Li]CC CHEBI:51468 [1,0,0,0,0,0|1,0,0]=2 450 B2R0.1 [N+](=O)=O CHEBI:29424 [1,0,0,0,0,0|2,0,1]=4 451 B2R0.1 [N-]=[N+]=[N-] CHEBI:278547 [1,0,0,0,0,0|3,0,0]=4 452 B2R0.1 [N-]=[N+]=[N-] CHEBI:40910 [1,0,0,0,0,0|3,0,0]=4 453 B2R0.1 [N-]=[N+]=[N] CHEBI:29448 [1,0,0,0,0,0|3,0,0]=4 454 B2R0.1 [N-]=[N]=O CHEBI:29796 [1,0,0,0,0,0|2,0,1]=4 455 B2R0.1 [NH2+](O)[O-] CHEBI:37766 [1,0,0,0,0,0|2,0,0]=3 456 B2R0.1 [NH4][Ag+][NH4] CHEBI:32129 [1,0,0,0,0,0|3,0,0]=4 457 B2R0.1 [NH4][Ag+][NH4] CHEBI:33049 [1,0,0,0,0,0|3,0,0]=4 458 B2R0.1 [NH4][Hg+2][NH4] CHEBI:36574 [1,0,0,0,0,0|3,0,0]=4 459 B2R0.1 [N](=O)=O CHEBI:33101 [1,0,0,0,0,0|2,0,1]=4 460 B2R0.1 [N]([O-])[O-] CHEBI:29423 [1,0,0,0,0,0|2,0,1]=4 461 B2R0.1 [O-]Br=O CHEBI:29248 [1,0,0,0,0,0|2,0,1]=4 462 B2R0.1 [O-]Cl=O CHEBI:17441 [1,0,0,0,0,0|2,0,1]=4 463 B2R0.1 [O-]Cl=O CHEBI:78667 [1,0,0,0,0,0|2,0,1]=4 464 B2R0.1 [O-]I=O CHEBI:29230 [1,0,0,0,0,0|2,0,1]=4 465 B2R0.1 [O-]O[O] CHEBI:29382 [1,0,0,0,0,0|2,0,1]=4 466 B2R0.1 [O-]P=O CHEBI:44951 [1,0,0,0,0,0|2,0,1]=4 467 B2R0.1 [O-]S=O CHEBI:9341 [1,0,0,0,0,0|2,0,1]=4 468 B2R0.1 [O-]S[O-] CHEBI:29821 [1,0,0,0,0,0|2,0,1]=4 469 B2R0.1 [O-]S[O] CHEBI:29820 [1,0,0,0,0,0|2,0,1]=4 470 B2R0.1 [O-][AsH2]=O CHEBI:29846 [1,0,0,0,0,0|2,0,1]=4 471 B2R0.1 [O-][AsH][O-] CHEBI:29753 [1,0,0,0,0,0|2,0,1]=4 472 B2R0.1 [O-][As]=O CHEBI:29678 [1,0,0,0,0,0|2,0,1]=4 473 B2R0.1 [O-][F+][O-] CHEBI:47861 [1,0,0,0,0,0|2,0,1]=4 474 B2R0.1 [O-][Fe]=O CHEBI:78619 [1,0,0,0,0,0|2,0,1]=4 475 B2R0.1 [O-][O+]=O CHEBI:25812 [1,0,0,0,0,0|2,0,1]=4 476 B2R0.1 [O-][PH2]=O CHEBI:29198 [1,0,0,0,0,0|2,0,1]=4 477 B2R0.1 [O]OBr CHEBI:29875 [1,0,0,0,0,0|2,0,1]=4 478 B2R0.1 [O]OCl CHEBI:29414 [1,0,0,0,0,0|2,0,1]=4 479 B2R0.1 [O]OI CHEBI:29902 [1,0,0,0,0,0|2,0,1]=4 480 B2R0.1 [O]OS CHEBI:29410 [1,0,0,0,0,0|2,0,1]=4 481 B2R0.1 [S-]S[S-] CHEBI:29398 [1,0,0,0,0,0|2,1,0]=4 482 B2R0.1 [S-]S[S] CHEBI:29399 [1,0,0,0,0,0|2,1,0]=4 483 B4R0.1 C#CC(=O)O CHEBI:33199 [0,1,0,0,0,0|1,0,2]=4 484 B4R0.1 C(=N)(N)NO CHEBI:43089 [0,1,0,0,0,0|2,0,1]=4 485 B4R0.1 C(=N)C(=O)O CHEBI:53647 [0,1,0,0,0,0|1,0,2]=4 486 B4R0.1 C(=O)(N)NO CHEBI:44423 [0,1,0,0,0,0|2,0,1]=4 487 B4R0.1 C(=O)(NN)O CHEBI:38662 [0,1,0,0,0,0|2,0,1]=4 488 B4R0.1 C(=O)C(=O)O CHEBI:16891 [0,1,0,0,0,0|1,0,2]=4 489 B4R0.1 C(C(=O)N)F CHEBI:53124 [0,1,0,0,0,0|1,0,2]=4 490 B4R0.1 C(C(=O)N)N CHEBI:42843 [0,1,0,0,0,0|1,0,2]=4 491 B4R0.1 C(C(=O)N)O CHEBI:30321 [0,1,0,0,0,0|1,0,2]=4 492 B4R0.1 C(C(=O)O)Cl CHEBI:27869 [0,1,0,0,0,0|1,0,1]=3 493 B4R0.1 C(C(=O)O)F CHEBI:30775 [0,1,0,0,0,0|1,0,1]=3 494 B4R0.1 C(C(=O)O)I CHEBI:74571 [0,1,0,0,0,0|1,0,1]=3 495 B4R0.1 C(C(=O)O)N CHEBI:15428 [0,1,0,0,0,0|1,0,1]=3 496 B4R0.1 C(C(=O)O)O CHEBI:17497 [0,1,0,0,0,0|1,0,1]=3 497 B4R0.1 C(C(=O)O)S CHEBI:30065 [0,1,0,0,0,0|1,0,1]=3 498 B4R0.1 C(C(=O)O)[NH3+] CHEBI:32507 [0,1,0,0,0,0|1,0,1]=3 499 B4R0.1 C(C(=O)S)N CHEBI:46799 [0,1,0,0,0,0|1,0,2]=4 500 B4R0.1 C(C(=O)[O-])Cl CHEBI:23123 [0,1,0,0,0,0|1,0,2]=4 501 B4R0.1 C(C(=O)[O-])F CHEBI:18172 [0,1,0,0,0,0|1,0,2]=4 502 B4R0.1 C(C(=O)[O-])F CHEBI:38699 [0,1,0,0,0,0|1,0,2]=4 503 B4R0.1 C(C(=O)[O-])N CHEBI:32508 [0,1,0,0,0,0|1,0,2]=4 504 B4R0.1 C(C(=O)[O-])O CHEBI:132094 [0,1,0,0,0,0|1,0,2]=4 505 B4R0.1 C(C(=O)[O-])O CHEBI:29805 [0,1,0,0,0,0|1,0,2]=4 506 B4R0.1 C(C(=O)[O-])S CHEBI:30066 [0,1,0,0,0,0|1,0,2]=4 507 B4R0.1 C(C(=O)[O-])S CHEBI:86481 [0,1,0,0,0,0|1,0,2]=4 508 B4R0.1 C(C(=O)[O-])[NH3+] CHEBI:57305 [0,1,0,0,0,0|1,0,2]=4 509 B4R0.1 C(C(=O)[O-])[S-] CHEBI:47869 [0,1,0,0,0,0|1,0,2]=4 510 B4R0.1 C(C(Cl)Cl)Cl CHEBI:36018 [0,1,0,0,0,0|2,0,0]=3 511 B4R0.1 C=C(CO)Br CHEBI:49514 [0,1,0,0,0,0|1,0,2]=4 512 B4R0.1 C=CC(=O)O CHEBI:18308 [0,1,0,0,0,0|1,0,2]=4 513 B4R0.1 CC(=C)C=C CHEBI:35194 [0,1,0,0,0,0|1,0,2]=4 514 B4R0.1 CC(=NO)C CHEBI:15349 [0,1,0,0,0,0|0,0,1]=2 515 B4R0.1 CC(=O)C#C CHEBI:48060 [0,1,0,0,0,0|0,0,3]=4 516 B4R0.1 CC(=O)C=C CHEBI:48058 [0,1,0,0,0,0|0,0,3]=4 517 B4R0.1 CC(=O)C=O CHEBI:17158 [0,1,0,0,0,0|0,0,3]=4 518 B4R0.1 CC(=O)CBr CHEBI:51845 [0,1,0,0,0,0|0,0,2]=3 519 B4R0.1 CC(=O)CCl CHEBI:47220 [0,1,0,0,0,0|0,0,2]=3 520 B4R0.1 CC(=O)CN CHEBI:17906 [0,1,0,0,0,0|0,0,2]=3 521 B4R0.1 CC(=O)CO CHEBI:27957 [0,1,0,0,0,0|0,0,2]=3 522 B4R0.1 CC(=O)C[NH3+] CHEBI:58320 [0,1,0,0,0,0|0,0,2]=3 523 B4R0.1 CC(=O)NC CHEBI:87321 [0,1,0,0,0,0|0,0,2]=3 524 B4R0.1 CC(=O)NN CHEBI:2422 [0,1,0,0,0,0|1,0,2]=4 525 B4R0.1 CC(=O)NO CHEBI:27777 [0,1,0,0,0,0|1,0,1]=3 526 B4R0.1 CC(=O)OC CHEBI:77700 [0,1,0,0,0,0|0,0,2]=3 527 B4R0.1 CC(=O)O[Hg+] CHEBI:49727 [0,1,0,0,0,0|1,0,1]=3 528 B4R0.1 CC(=O)SC CHEBI:51280 [0,1,0,0,0,0|0,0,2]=3 529 B4R0.1 CC(=S)OC CHEBI:51281 [0,1,0,0,0,0|0,1,1]=3 530 B4R0.1 CC(C#N)N CHEBI:27959 [0,1,0,0,0,0|1,0,1]=3 531 B4R0.1 CC(C)C#C CHEBI:87379 [0,1,0,0,0,0|1,0,0]=2 532 B4R0.1 CC(C)C=C CHEBI:77914 [0,1,0,0,0,0|1,0,0]=2 533 B4R0.1 CC(C)C=O CHEBI:48943 [0,1,0,0,0,0|0,0,1]=2 534 B4R0.1 CC(C)CN CHEBI:15997 [0,1,0,0,0,0|1,0,0]=2 535 B4R0.1 CC(C)CO CHEBI:46645 [0,1,0,0,0,0|0,0,0]=1 536 B4R0.1 CC(C)C[NH3+] CHEBI:57601 [0,1,0,0,0,0|1,0,0]=2 537 B4R0.1 CC(C)OC CHEBI:53505 [0,1,0,0,0,0|0,0,0]=1 538 B4R0.1 CC(C=O)O CHEBI:18419 [0,1,0,0,0,0|0,0,1]=2 539 B4R0.1 CC(CCl)O CHEBI:76260 [0,1,0,0,0,0|0,0,0]=1 540 B4R0.1 CC(CN)N CHEBI:30630 [0,1,0,0,0,0|1,0,0]=2 541 B4R0.1 CC(CN)O CHEBI:19030 [0,1,0,0,0,0|0,0,0]=1 542 B4R0.1 CC(CO)O CHEBI:16997 [0,1,0,0,0,0|0,0,0]=1 543 B4R0.1 CC=C(C)C CHEBI:77916 [0,1,0,0,0,0|1,0,1]=3 544 B4R0.1 CC=[N+]([O-])[O-] CHEBI:55327 [0,1,0,0,0,0|2,0,1]=4 545 B4R0.1 CCC(=C)C CHEBI:77915 [0,1,0,0,0,0|1,0,1]=3 546 B4R0.1 CCC(=O)C CHEBI:28398 [0,1,0,0,0,0|0,0,2]=3 547 B4R0.1 CCC(=O)N CHEBI:45422 [0,1,0,0,0,0|1,0,2]=4 548 B4R0.1 CCC(=O)O CHEBI:30768 [0,1,0,0,0,0|1,0,1]=3 549 B4R0.1 CCC(=O)[O-] CHEBI:132106 [0,1,0,0,0,0|1,0,2]=4 550 B4R0.1 CCC(=O)[O-] CHEBI:17272 [0,1,0,0,0,0|1,0,2]=4 551 B4R0.1 CCC(=O)[O-] CHEBI:63884 [0,1,0,0,0,0|1,0,2]=4 552 B4R0.1 CCC(=S)C CHEBI:36581 [0,1,0,0,0,0|0,1,1]=3 553 B4R0.1 CCC(C)C CHEBI:30362 [0,1,0,0,0,0|1,0,0]=2 554 B4R0.1 CCC(C)N CHEBI:74526 [0,1,0,0,0,0|1,0,0]=2 555 B4R0.1 CCC(C)O CHEBI:35687 [0,1,0,0,0,0|0,0,0]=1 556 B4R0.1 CC[C@@H](C)O CHEBI:35686 [0,1,0,0,0,0|0,0,0]=1 557 B4R0.1 CC[C@H](C)O CHEBI:45475 [0,1,0,0,0,0|0,0,0]=1 558 B4R0.1 CC[N+](=O)[O-] CHEBI:16268 [0,1,0,0,0,0|2,0,1]=4 559 B4R0.1 CN(C)C=O CHEBI:17741 [0,1,0,0,0,0|1,0,1]=3 560 B4R0.1 CN(C)N=O CHEBI:35807 [0,1,0,0,0,0|1,0,1]=3 561 B4R0.1 CNC(=N)N CHEBI:16628 [0,1,0,0,0,0|2,0,1]=4 562 B4R0.1 CNC(=O)N CHEBI:44383 [0,1,0,0,0,0|1,0,2]=4 563 B4R0.1 CNC(=O)O CHEBI:45379 [0,1,0,0,0,0|1,0,1]=3 564 B4R0.1 CNC(=[NH2+])N CHEBI:57840 [0,1,0,0,0,0|2,0,1]=4 565 B4R0.1 COC(=O)N CHEBI:76606 [0,1,0,0,0,0|1,0,2]=4 566 B4R0.1 C[C@@H](C#N)N CHEBI:50617 [0,1,0,0,0,0|1,0,1]=3 567 B4R0.1 C[C@@H](C=O)O CHEBI:18041 [0,1,0,0,0,0|0,0,1]=2 568 B4R0.1 C[C@@H](CO)N CHEBI:78502 [0,1,0,0,0,0|1,0,0]=2 569 B4R0.1 C[C@@H](CO)O CHEBI:29002 [0,1,0,0,0,0|0,0,0]=1 570 B4R0.1 C[C@@H](CO)[NH3+] CHEBI:85422 [0,1,0,0,0,0|1,0,0]=2 571 B4R0.1 C[C@H](C#N)N CHEBI:50618 [0,1,0,0,0,0|1,0,1]=3 572 B4R0.1 C[C@H](C=O)O CHEBI:17167 [0,1,0,0,0,0|0,0,1]=2 573 B4R0.1 C[C@H](CN)O CHEBI:15675 [0,1,0,0,0,0|0,0,0]=1 574 B4R0.1 C[C@H](CO)O CHEBI:28972 [0,1,0,0,0,0|0,0,0]=1 575 B4R0.1 C[C@H](C[NH3+])O CHEBI:42677 [0,1,0,0,0,0|0,0,0]=1 576 B4R0.1 C\C(=N/O)\O CHEBI:49029 [0,1,0,0,0,0|1,0,1]=3 577 B4R0.1 C\C(=N\N)\O CHEBI:48978 [0,1,0,0,0,0|1,0,1]=3 578 B4R0.1 C\C=[N+](\O)/[O-] CHEBI:77894 [0,1,0,0,0,0|2,0,0]=3 579 B4R0.1 N(=O)(=O)OO CHEBI:29271 [0,1,0,0,0,0|3,0,0]=4 580 B4R0.1 N(=O)(=O)O[O-] CHEBI:29270 [0,1,0,0,0,0|3,0,0]=4 581 B4R0.1 [*](C(=O)[O-])O CHEBI:131871 [0,1,0,0,0,0|2,0,1]=4 582 B4R0.1 [*]C(=O)CO CHEBI:52501 [0,1,0,0,0,0|1,0,2]=4 583 B4R0.1 [*]C(=O)O[*] CHEBI:33308 [0,1,0,0,0,0|2,0,1]=4 584 B4R0.1 [*]C(=O)O[*] CHEBI:78553 [0,1,0,0,0,0|2,0,1]=4 585 B4R0.1 [*]C(=O)O[*] CHEBI:78555 [0,1,0,0,0,0|2,0,1]=4 586 B4R0.1 [*]C(=O)O[*] CHEBI:78557 [0,1,0,0,0,0|2,0,1]=4 587 B4R0.1 [*]C(=O)O[*] CHEBI:78558 [0,1,0,0,0,0|2,0,1]=4 588 B4R0.1 [*]C(=O)O[*] CHEBI:78560 [0,1,0,0,0,0|2,0,1]=4 589 B4R0.1 [*]C(=O)O[*] CHEBI:78561 [0,1,0,0,0,0|2,0,1]=4 590 B4R0.1 [*]C(=O)O[*] CHEBI:78562 [0,1,0,0,0,0|2,0,1]=4 591 B4R0.1 [*]C(=O)O[*] CHEBI:78563 [0,1,0,0,0,0|2,0,1]=4 592 B4R0.1 [*]C(=S)O[*] CHEBI:51278 [0,1,0,0,0,0|2,0,1]=4 593 B4R0.1 [*]SC(=O)C CHEBI:17093 [0,1,0,0,0,0|1,0,2]=4 594 B4R0.1 [*][C@H](CO)O CHEBI:27636 [0,1,0,0,0,0|1,0,0]=2 595 B4R0.1 [*]\C(=N\O)\[*] CHEBI:24983 [0,1,0,0,0,0|2,0,1]=4 596 B4R0.1 [*]\C(=N\O)\[*] CHEBI:25750 [0,1,0,0,0,0|2,0,1]=4 597 B4R0.1 [CH](C(=O)O)N CHEBI:32721 [0,1,0,0,0,0|1,0,2]=4 598 B4R0.3 C(Br)(Br)(Br)Br CHEBI:47875 [0,1,0,0,0,0|3,0,0]=4 599 B4R0.3 C(Cl)(Cl)(Cl)Cl CHEBI:27385 [0,1,0,0,0,0|3,0,0]=4 600 B4R0.3 C(F)(Cl)(Cl)Cl CHEBI:48236 [0,1,0,0,0,0|3,0,0]=4 601 B4R0.3 C(F)(F)(Cl)Br CHEBI:84698 [0,1,0,0,0,0|3,0,0]=4 602 B4R0.3 C(F)(F)(F)F CHEBI:38825 [0,1,0,0,0,0|3,0,0]=4 603 B4R0.3 CC(C)(C)C CHEBI:30358 [0,1,0,0,0,0|1,0,0]=2 604 B4R0.3 CC(C)(C)N CHEBI:44639 [0,1,0,0,0,0|1,0,0]=2 605 B4R0.3 CC(C)(C)O CHEBI:45895 [0,1,0,0,0,0|0,0,0]=1 606 B4R0.3 CC(C)(C)[NH3+] CHEBI:224366 [0,1,0,0,0,0|1,0,0]=2 607 B4R0.3 CC(Cl)(Cl)Cl CHEBI:36015 [0,1,0,0,0,0|2,0,0]=3 608 B4R0.3 CP(=O)(C)O CHEBI:23814 [0,1,0,0,0,0|1,0,0]=2 609 B4R0.3 CP(=O)(O)O CHEBI:45129 [0,1,0,0,0,0|2,0,0]=3 610 B4R0.3 CP(=O)(O)[O-] CHEBI:68684 [0,1,0,0,0,0|2,0,0]=3 611 B4R0.3 CP(=O)([O-])[O-] CHEBI:68822 [0,1,0,0,0,0|2,0,1]=4 612 B4R0.3 CS(=O)(=O)C CHEBI:9349 [0,1,0,0,0,0|1,0,1]=3 613 B4R0.3 CS(=O)(=O)O CHEBI:27376 [0,1,0,0,0,0|2,0,0]=3 614 B4R0.3 CS(=O)(=O)[O-] CHEBI:25224 [0,1,0,0,0,0|2,0,1]=4 615 B4R0.3 CS(=O)(=O)[O-] CHEBI:63881 [0,1,0,0,0,0|2,0,1]=4 616 B4R0.3 C[As](=O)(C)C CHEBI:27131 [0,1,0,0,0,0|1,0,1]=3 617 B4R0.3 C[As](=O)(C)O CHEBI:48765 [0,1,0,0,0,0|1,0,0]=2 618 B4R0.3 C[As](=O)(C)[O-] CHEBI:16223 [0,1,0,0,0,0|1,0,1]=3 619 B4R0.3 C[As](=O)(C)[O-] CHEBI:62956 [0,1,0,0,0,0|1,0,1]=3 620 B4R0.3 C[As](=O)(O)O CHEBI:29852 [0,1,0,0,0,0|2,0,0]=3 621 B4R0.3 C[As](=O)(O)[O-] CHEBI:33409 [0,1,0,0,0,0|2,0,0]=3 622 B4R0.3 C[As](=O)([O-])[O-] CHEBI:16005 [0,1,0,0,0,0|2,0,1]=4 623 B4R0.3 C[N+](C)(C)C CHEBI:46020 [0,1,0,0,0,0|2,0,0]=3 624 B4R0.3 C[N+](C)(C)C CHEBI:55317 [0,1,0,0,0,0|2,0,0]=3 625 B4R0.3 C[N+](C)(C)[O-] CHEBI:15724 [0,1,0,0,0,0|1,0,1]=3 626 B4R0.3 C[Pb](C)(C)C CHEBI:30183 [0,1,0,0,0,0|2,0,0]=3 627 B4R0.3 C[Si](C)(C)C CHEBI:85361 [0,1,0,0,0,0|1,1,0]=3 628 B4R0.3 C[Si](C)(C)Cl CHEBI:85069 [0,1,0,0,0,0|1,1,0]=3 629 B4R0.3 C[Si](C)(O)O CHEBI:23816 [0,1,0,0,0,0|0,1,0]=2 630 B4R0.3 C[Si](O)(O)O CHEBI:25342 [0,1,0,0,0,0|1,1,0]=3 631 B4R0.3 C[Sn](C)(C)C CHEBI:30420 [0,1,0,0,0,0|2,0,0]=3 632 B4R0.3 C[Te](=O)(=O)O CHEBI:70755 [0,1,0,0,0,0|2,0,0]=3 633 B4R0.3 C[Te](=O)(=O)[O-] CHEBI:71624 [0,1,0,0,0,0|2,0,1]=4 634 B4R0.3 C[Te](C)(Cl)Cl CHEBI:30471 [0,1,0,0,0,0|2,0,0]=3 635 B4R0.3 NP(=O)(O)O CHEBI:15907 [0,1,0,0,0,0|3,0,0]=4 636 B4R0.3 NS(=O)(=O)O CHEBI:9330 [0,1,0,0,0,0|3,0,0]=4 637 B4R0.3 OBr(=O)(=O)=O CHEBI:29245 [0,1,0,0,0,0|3,0,0]=4 638 B4R0.3 OCl(=O)(=O)=O CHEBI:29221 [0,1,0,0,0,0|3,0,0]=4 639 B4R0.3 OI(=O)(=O)=O CHEBI:29149 [0,1,0,0,0,0|3,0,0]=4 640 B4R0.3 OP(=O)(O)F CHEBI:30210 [0,1,0,0,0,0|3,0,0]=4 641 B4R0.3 OP(=O)(O)O CHEBI:26078 [0,1,0,0,0,0|3,0,0]=4 642 B4R0.3 OP(=O)(O)O CHEBI:52641 [0,1,0,0,0,0|3,0,0]=4 643 B4R0.3 OP(=O)(O)S CHEBI:46613 [0,1,0,0,0,0|3,0,0]=4 644 B4R0.3 OP(=O)(O)[O-] CHEBI:114249 [0,1,0,0,0,0|3,0,0]=4 645 B4R0.3 OP(=O)(O)[O-] CHEBI:35433 [0,1,0,0,0,0|3,0,0]=4 646 B4R0.3 OP(=O)(O)[O-] CHEBI:37585 [0,1,0,0,0,0|3,0,0]=4 647 B4R0.3 OP(=O)(O)[O-] CHEBI:39745 [0,1,0,0,0,0|3,0,0]=4 648 B4R0.3 OP(=O)(O)[O-] CHEBI:62982 [0,1,0,0,0,0|3,0,0]=4 649 B4R0.3 OP(=O)(O)[O-] CHEBI:63036 [0,1,0,0,0,0|3,0,0]=4 650 B4R0.3 OP(=O)(O)[O] CHEBI:29931 [0,1,0,0,0,0|3,0,0]=4 651 B4R0.3 OP(=O)(O)[SeH] CHEBI:64331 [0,1,0,0,0,0|3,0,0]=4 652 B4R0.3 OP(=O)([O-])[O-] CHEBI:131527 [0,1,0,0,0,0|3,0,0]=4 653 B4R0.3 OP(=O)([O-])[O-] CHEBI:16838 [0,1,0,0,0,0|3,0,0]=4 654 B4R0.3 OP(=O)([O-])[O-] CHEBI:32596 [0,1,0,0,0,0|3,0,0]=4 655 B4R0.3 OP(=O)([O-])[O-] CHEBI:34683 [0,1,0,0,0,0|3,0,0]=4 656 B4R0.3 OP(=O)([O-])[O-] CHEBI:43474 [0,1,0,0,0,0|3,0,0]=4 657 B4R0.3 OP(=O)([O-])[O-] CHEBI:4496 [0,1,0,0,0,0|3,0,0]=4 658 B4R0.3 OP(=O)([O-])[O-] CHEBI:63051 [0,1,0,0,0,0|3,0,0]=4 659 B4R0.3 OP(=O)([O-])[O-] CHEBI:91258 [0,1,0,0,0,0|3,0,0]=4 660 B4R0.3 OP(=O)([O-])[O-] CHEBI:91259 [0,1,0,0,0,0|3,0,0]=4 661 B4R0.3 OP(=O)([O-])[O] CHEBI:29925 [0,1,0,0,0,0|3,0,0]=4 662 B4R0.3 OP(=S)(O)O CHEBI:46611 [0,1,0,0,0,0|3,0,0]=4 663 B4R0.3 OP(=S)(O)S CHEBI:74944 [0,1,0,0,0,0|3,0,0]=4 664 B4R0.3 OP(=S)([O-])[O-] CHEBI:74752 [0,1,0,0,0,0|3,0,0]=4 665 B4R0.3 OP(=S)([O-])[S-] CHEBI:74591 [0,1,0,0,0,0|3,0,0]=4 666 B4R0.3 OP(=[Se])(O)O CHEBI:29269 [0,1,0,0,0,0|3,0,0]=4 667 B4R0.3 OP(=[Se])([O-])[O-] CHEBI:58618 [0,1,0,0,0,0|3,0,0]=4 668 B4R0.3 OS(=O)(=O)O CHEBI:26836 [0,1,0,0,0,0|3,0,0]=4 669 B4R0.3 OS(=O)(=O)S CHEBI:5587 [0,1,0,0,0,0|3,0,0]=4 670 B4R0.3 OS(=O)(=O)[O-] CHEBI:45696 [0,1,0,0,0,0|3,0,0]=4 671 B4R0.3 OS(=O)(=O)[O] CHEBI:29407 [0,1,0,0,0,0|3,0,0]=4 672 B4R0.3 OS(=O)(=O)[S-] CHEBI:33539 [0,1,0,0,0,0|3,0,0]=4 673 B4R0.3 OS(=O)(=S)O CHEBI:29279 [0,1,0,0,0,0|3,0,0]=4 674 B4R0.3 OS(=S)(=S)O CHEBI:50494 [0,1,0,0,0,0|3,0,0]=4 675 B4R0.3 O[As](=O)(O)O CHEBI:18231 [0,1,0,0,0,0|3,0,0]=4 676 B4R0.3 O[As](=O)(O)[O-] CHEBI:48600 [0,1,0,0,0,0|3,0,0]=4 677 B4R0.3 O[As](=O)(O)[O-] CHEBI:77719 [0,1,0,0,0,0|3,0,0]=4 678 B4R0.3 O[As](=O)([O-])[O-] CHEBI:48597 [0,1,0,0,0,0|3,0,0]=4 679 B4R0.3 O[As](=O)([O-])[O-] CHEBI:91256 [0,1,0,0,0,0|3,0,0]=4 680 B4R0.3 O[As](=O)([O-])[O-] CHEBI:91257 [0,1,0,0,0,0|3,0,0]=4 681 B4R0.3 O[Cd-2](O)(O)O CHEBI:36661 [0,1,0,0,0,0|3,0,0]=4 682 B4R0.3 O[Cr](=O)(=O)O CHEBI:33143 [0,1,0,0,0,0|3,0,0]=4 683 B4R0.3 O[Cr](=O)(=O)[O-] CHEBI:33144 [0,1,0,0,0,0|3,0,0]=4 684 B4R0.3 O[Mn](=O)(=O)=O CHEBI:35124 [0,1,0,0,0,0|3,0,0]=4 685 B4R0.3 O[Mn](=O)(=O)O CHEBI:35119 [0,1,0,0,0,0|3,0,0]=4 686 B4R0.3 O[Mn](=O)(=O)[O-] CHEBI:35123 [0,1,0,0,0,0|3,0,0]=4 687 B4R0.3 O[Mn](=O)(O)O CHEBI:35125 [0,1,0,0,0,0|3,0,0]=4 688 B4R0.3 O[Mn](=O)(O)[O-] CHEBI:35126 [0,1,0,0,0,0|3,0,0]=4 689 B4R0.3 O[Mn](=O)([O-])[O-] CHEBI:35127 [0,1,0,0,0,0|3,0,0]=4 690 B4R0.3 O[Mo](=O)(=O)O CHEBI:25371 [0,1,0,0,0,0|3,0,0]=4 691 B4R0.3 O[Mo](=O)(=O)[O-] CHEBI:36263 [0,1,0,0,0,0|3,0,0]=4 692 B4R0.3 O[Sb](=O)(O)O CHEBI:30294 [0,1,0,0,0,0|3,0,0]=4 693 B4R0.3 O[Sb](=O)(O)[O-] CHEBI:36923 [0,1,0,0,0,0|3,0,0]=4 694 B4R0.3 O[Sb](=O)([O-])[O-] CHEBI:36924 [0,1,0,0,0,0|3,0,0]=4 695 B4R0.3 O[Se](=O)(=O)O CHEBI:18170 [0,1,0,0,0,0|3,0,0]=4 696 B4R0.3 O[Se](=O)(=O)[O-] CHEBI:33490 [0,1,0,0,0,0|3,0,0]=4 697 B4R0.3 O[Si](O)(O)O CHEBI:26675 [0,1,0,0,0,0|2,1,0]=4 698 B4R0.3 O[Si](O)(O)[O-] CHEBI:48125 [0,1,0,0,0,0|2,1,0]=4 699 B4R0.3 O[Si](O)([O-])[O-] CHEBI:48124 [0,1,0,0,0,0|2,1,0]=4 700 B4R0.3 O[Si]([O-])([O-])[O-] CHEBI:48122 [0,1,0,0,0,0|2,1,0]=4 701 B4R0.3 O[Te](=O)(=O)O CHEBI:30463 [0,1,0,0,0,0|3,0,0]=4 702 B4R0.3 O[Te](=O)(=O)[O-] CHEBI:36287 [0,1,0,0,0,0|3,0,0]=4 703 B4R0.3 O[V](=O)(O)O CHEBI:27273 [0,1,0,0,0,0|3,0,0]=4 704 B4R0.3 O[V](=O)(O)[O-] CHEBI:35169 [0,1,0,0,0,0|3,0,0]=4 705 B4R0.3 O[V](=O)([O-])[O-] CHEBI:35168 [0,1,0,0,0,0|3,0,0]=4 706 B4R0.3 O[W](=O)(=O)O CHEBI:36272 [0,1,0,0,0,0|3,0,0]=4 707 B4R0.3 O[W](=O)(=O)[O-] CHEBI:36271 [0,1,0,0,0,0|3,0,0]=4 708 B4R0.3 [*]C([*])(O)O CHEBI:63734 [0,1,0,0,0,0|2,0,0]=3 709 B4R0.3 [2H]C(Cl)(Cl)Cl CHEBI:85365 [0,1,0,0,0,0|3,0,0]=4 710 B4R0.3 [B-](O)(O)(O)O CHEBI:41132 [0,1,0,0,0,0|3,0,0]=4 711 B4R0.3 [Be-2](O)(O)(O)O CHEBI:30499 [0,1,0,0,0,0|3,0,0]=4 712 B4R1.2 C1C(O1)Cl CHEBI:29129 [0,0,0,1,0,0|1,0,0]=2 713 B4R1.2 C1CC1N CHEBI:34660 [0,0,0,1,0,0|1,0,0]=2 714 B4R1.2 CC1=CC1 CHEBI:132592 [0,0,0,1,0,0|1,0,1]=3 715 B4R1.2 CC1CO1 CHEBI:38685 [0,0,0,1,0,0|0,0,0]=1 716 B4R1.2 C[C@@H]1CO1 CHEBI:28985 [0,0,0,1,0,0|0,0,0]=1 717 B4R1.2 C[C@H]1CO1 CHEBI:28982 [0,0,0,1,0,0|0,0,0]=1 718 B1R0.1 B#B CHEBI:51707 [2,0,0,0,0,0|2,0,0]=4 719 B1R0.1 B#N CHEBI:50883 [2,0,0,0,0,0|2,0,0]=4 720 B1R0.1 B#[O+] CHEBI:30161 [2,0,0,0,0,0|1,0,1]=4 721 B1R0.1 BB CHEBI:38288 [2,0,0,0,0,0|2,0,0]=4 722 B1R0.1 BO CHEBI:38268 [2,0,0,0,0,0|1,0,0]=3 723 B1R0.1 BrBr CHEBI:29224 [2,0,0,0,0,0|2,0,0]=4 724 B1R0.1 Br[Br+] CHEBI:30074 [2,0,0,0,0,0|2,0,0]=4 725 B1R0.1 C#C CHEBI:27518 [2,0,0,0,0,0|0,0,2]=4 726 B1R0.1 C#N CHEBI:18407 [2,0,0,0,0,0|1,0,1]=4 727 B1R0.1 C#[C-] CHEBI:55387 [2,0,0,0,0,0|0,0,2]=4 728 B1R0.1 C#[C-] CHEBI:55390 [2,0,0,0,0,0|0,0,2]=4 729 B1R0.1 C#[C] CHEBI:30085 [2,0,0,0,0,0|0,0,2]=4 730 B1R0.1 C#[O+] CHEBI:58072 [2,0,0,0,0,0|0,0,2]=4 731 B1R0.1 C=C CHEBI:18153 [2,0,0,0,0,0|0,0,2]=4 732 B1R0.1 C=N CHEBI:38220 [2,0,0,0,0,0|1,0,1]=4 733 B1R0.1 C=O CHEBI:16842 [2,0,0,0,0,0|0,0,2]=4 734 B1R0.1 CBr CHEBI:39275 [2,0,0,0,0,0|1,0,0]=3 735 B1R0.1 CC CHEBI:42266 [2,0,0,0,0,0|0,0,0]=2 736 B1R0.1 CCl CHEBI:36014 [2,0,0,0,0,0|1,0,0]=3 737 B1R0.1 CF CHEBI:28826 [2,0,0,0,0,0|1,0,0]=3 738 B1R0.1 CI CHEBI:39282 [2,0,0,0,0,0|1,0,0]=3 739 B1R0.1 CN CHEBI:16830 [2,0,0,0,0,0|1,0,0]=3 740 B1R0.1 CO CHEBI:17790 [2,0,0,0,0,0|0,0,0]=2 741 B1R0.1 CP CHEBI:35887 [2,0,0,0,0,0|1,0,0]=3 742 B1R0.1 CS CHEBI:16007 [2,0,0,0,0,0|0,1,0]=3 743 B1R0.1 C[CH2] CHEBI:62801 [2,0,0,0,0,0|0,0,1]=3 744 B1R0.1 C[Co+2] CHEBI:85035 [2,0,0,0,0,0|1,0,0]=3 745 B1R0.1 C[Hg+] CHEBI:49747 [2,0,0,0,0,0|1,0,0]=3 746 B1R0.1 C[Hg] CHEBI:30785 [2,0,0,0,0,0|1,0,0]=3 747 B1R0.1 C[NH3+] CHEBI:59337 [2,0,0,0,0,0|1,0,0]=3 748 B1R0.1 C[NH3+] CHEBI:59338 [2,0,0,0,0,0|1,0,0]=3 749 B1R0.1 C[O-] CHEBI:52090 [2,0,0,0,0,0|0,0,1]=3 750 B1R0.1 C[O] CHEBI:32772 [2,0,0,0,0,0|0,0,1]=3 751 B1R0.1 C[SeH] CHEBI:64685 [2,0,0,0,0,0|0,1,0]=3 752 B1R0.1 ClCl CHEBI:29310 [2,0,0,0,0,0|2,0,0]=4 753 B1R0.1 Cl[201Tl] CHEBI:32213 [2,0,0,0,0,0|2,0,0]=4 754 B1R0.1 Cl[Cl+] CHEBI:29419 [2,0,0,0,0,0|2,0,0]=4 755 B1R0.1 Cl[Cu] CHEBI:53472 [2,0,0,0,0,0|2,0,0]=4 756 B1R0.1 Cl[Tl] CHEBI:37117 [2,0,0,0,0,0|2,0,0]=4 757 B1R0.1 FCl CHEBI:30121 [2,0,0,0,0,0|2,0,0]=4 758 B1R0.1 FF CHEBI:30236 [2,0,0,0,0,0|2,0,0]=4 759 B1R0.1 F[Cl+] CHEBI:30122 [2,0,0,0,0,0|2,0,0]=4 760 B1R0.1 F[F+] CHEBI:30237 [2,0,0,0,0,0|2,0,0]=4 761 B1R0.1 II CHEBI:17606 [2,0,0,0,0,0|2,0,0]=4 762 B1R0.1 I[I+] CHEBI:36899 [2,0,0,0,0,0|2,0,0]=4 763 B1R0.1 N#N CHEBI:17997 [2,0,0,0,0,0|2,0,0]=4 764 B1R0.1 N#[Al] CHEBI:50884 [2,0,0,0,0,0|2,0,0]=4 765 B1R0.1 N#[N+2] CHEBI:29275 [2,0,0,0,0,0|2,0,0]=4 766 B1R0.1 N#[N+] CHEBI:29276 [2,0,0,0,0,0|2,0,0]=4 767 B1R0.1 N#[O+] CHEBI:29120 [2,0,0,0,0,0|1,0,1]=4 768 B1R0.1 N=N CHEBI:30096 [2,0,0,0,0,0|2,0,0]=4 769 B1R0.1 N=O CHEBI:84879 [2,0,0,0,0,0|1,0,1]=4 770 B1R0.1 N=[N-] CHEBI:30103 [2,0,0,0,0,0|2,0,0]=4 771 B1R0.1 NN CHEBI:15571 [2,0,0,0,0,0|2,0,0]=4 772 B1R0.1 NN CHEBI:35511 [2,0,0,0,0,0|2,0,0]=4 773 B1R0.1 NO CHEBI:15429 [2,0,0,0,0,0|1,0,0]=3 774 B1R0.1 N[N-2] CHEBI:30101 [2,0,0,0,0,0|2,0,0]=4 775 B1R0.1 N[NH-] CHEBI:30095 [2,0,0,0,0,0|2,0,0]=4 776 B1R0.1 N[NH] CHEBI:30093 [2,0,0,0,0,0|2,0,0]=4 777 B1R0.1 N[O-] CHEBI:29773 [2,0,0,0,0,0|1,0,1]=4 778 B1R0.1 N[O] CHEBI:29767 [2,0,0,0,0,0|1,0,1]=4 779 B1R0.1 O#[Si+] CHEBI:30589 [2,0,0,0,0,0|0,1,1]=4 780 B1R0.1 O=O CHEBI:15379 [2,0,0,0,0,0|1,0,1]=4 781 B1R0.1 O=O CHEBI:26689 [2,0,0,0,0,0|1,0,1]=4 782 B1R0.1 O=S CHEBI:45822 [2,0,0,0,0,0|1,0,1]=4 783 B1R0.1 O=[Al+] CHEBI:30129 [2,0,0,0,0,0|1,0,1]=4 784 B1R0.1 O=[Al] CHEBI:30128 [2,0,0,0,0,0|1,0,1]=4 785 B1R0.1 O=[AsH3] CHEBI:35844 [2,0,0,0,0,0|1,0,1]=4 786 B1R0.1 O=[Br+] CHEBI:29873 [2,0,0,0,0,0|1,0,1]=4 787 B1R0.1 O=[Ca] CHEBI:31344 [2,0,0,0,0,0|1,0,1]=4 788 B1R0.1 O=[F+] CHEBI:30243 [2,0,0,0,0,0|1,0,1]=4 789 B1R0.1 O=[Fe] CHEBI:50820 [2,0,0,0,0,0|1,0,1]=4 790 B1R0.1 O=[I+] CHEBI:29899 [2,0,0,0,0,0|1,0,1]=4 791 B1R0.1 O=[O+] CHEBI:29372 [2,0,0,0,0,0|1,0,1]=4 792 B1R0.1 O=[P-] CHEBI:33125 [2,0,0,0,0,0|1,0,1]=4 793 B1R0.1 O=[P] CHEBI:29315 [2,0,0,0,0,0|1,0,1]=4 794 B1R0.1 O=[S+] CHEBI:29823 [2,0,0,0,0,0|1,0,1]=4 795 B1R0.1 O=[Ti] CHEBI:134455 [2,0,0,0,0,0|1,0,1]=4 796 B1R0.1 O=[V+2] CHEBI:30046 [2,0,0,0,0,0|1,0,1]=4 797 B1R0.1 O=[V] CHEBI:30044 [2,0,0,0,0,0|1,0,1]=4 798 B1R0.1 O=[Zn] CHEBI:36560 [2,0,0,0,0,0|1,0,1]=4 799 B1R0.1 OBr CHEBI:29249 [2,0,0,0,0,0|1,0,0]=3 800 B1R0.1 OCl CHEBI:24757 [2,0,0,0,0,0|1,0,0]=3 801 B1R0.1 OF CHEBI:47864 [2,0,0,0,0,0|1,0,0]=3 802 B1R0.1 OI CHEBI:29231 [2,0,0,0,0,0|1,0,0]=3 803 B1R0.1 OO CHEBI:16240 [2,0,0,0,0,0|1,0,0]=3 804 B1R0.1 OP CHEBI:29260 [2,0,0,0,0,0|1,0,0]=3 805 B1R0.1 OS CHEBI:37858 [2,0,0,0,0,0|1,0,0]=3 806 B1R0.1 O[AsH2] CHEBI:29844 [2,0,0,0,0,0|1,0,0]=3 807 B1R0.1 O[Ba] CHEBI:35112 [2,0,0,0,0,0|1,0,0]=3 808 B1R0.1 O[Ca] CHEBI:35111 [2,0,0,0,0,0|1,0,0]=3 809 B1R0.1 O[Mg] CHEBI:35110 [2,0,0,0,0,0|1,0,0]=3 810 B1R0.1 O[O-] CHEBI:29192 [2,0,0,0,0,0|1,0,0]=3 811 B1R0.1 O[OH+] CHEBI:30492 [2,0,0,0,0,0|1,0,0]=3 812 B1R0.1 O[O] CHEBI:25935 [2,0,0,0,0,0|1,0,0]=3 813 B1R0.1 O[SbH2] CHEBI:30301 [2,0,0,0,0,0|1,0,0]=3 814 B1R0.1 O[SiH3] CHEBI:37173 [2,0,0,0,0,0|0,1,0]=3 815 B1R0.1 O[Sr] CHEBI:35109 [2,0,0,0,0,0|1,0,0]=3 816 B1R0.1 P#P CHEBI:33472 [2,0,0,0,0,0|2,0,0]=4 817 B1R0.1 P#[P+] CHEBI:33476 [2,0,0,0,0,0|2,0,0]=4 818 B1R0.1 PP CHEBI:35880 [2,0,0,0,0,0|2,0,0]=4 819 B1R0.1 S=S CHEBI:29387 [2,0,0,0,0,0|1,1,0]=4 820 B1R0.1 S=[Cd] CHEBI:50833 [2,0,0,0,0,0|1,1,0]=4 821 B1R0.1 S=[S+] CHEBI:29397 [2,0,0,0,0,0|1,1,0]=4 822 B1R0.1 SS CHEBI:33114 [2,0,0,0,0,0|1,1,0]=4 823 B1R0.1 S[S-] CHEBI:30604 [2,0,0,0,0,0|1,1,0]=4 824 B1R0.1 [*]N CHEBI:32877 [2,0,0,0,0,0|2,0,0]=4 825 B1R0.1 [1H][1H+] CHEBI:29297 [2,0,0,0,0,0|2,0,0]=4 826 B1R0.1 [1H][1H] CHEBI:29299 [2,0,0,0,0,0|2,0,0]=4 827 B1R0.1 [2H]O CHEBI:33806 [2,0,0,0,0,0|1,0,0]=3 828 B1R0.1 [2H][2H+] CHEBI:29295 [2,0,0,0,0,0|2,0,0]=4 829 B1R0.1 [2H][2H] CHEBI:29294 [2,0,0,0,0,0|2,0,0]=4 830 B1R0.1 [3H]O CHEBI:33811 [2,0,0,0,0,0|1,0,0]=3 831 B1R0.1 [3H][3H+] CHEBI:29296 [2,0,0,0,0,0|2,0,0]=4 832 B1R0.1 [3H][3H] CHEBI:29298 [2,0,0,0,0,0|2,0,0]=4 833 B1R0.1 [Al+]Cl CHEBI:30132 [2,0,0,0,0,0|2,0,0]=4 834 B1R0.1 [Al-2]=[Al+] CHEBI:30117 [2,0,0,0,0,0|2,0,0]=4 835 B1R0.1 [Al]#[Al] CHEBI:30116 [2,0,0,0,0,0|2,0,0]=4 836 B1R0.1 [Al]=[Al+] CHEBI:33621 [2,0,0,0,0,0|2,0,0]=4 837 B1R0.1 [Al]Cl CHEBI:30131 [2,0,0,0,0,0|2,0,0]=4 838 B1R0.1 [AsH-][As-2] CHEBI:35872 [2,0,0,0,0,0|2,0,0]=4 839 B1R0.1 [AsH2][AsH2] CHEBI:33110 [2,0,0,0,0,0|2,0,0]=4 840 B1R0.1 [AsH]=[As-] CHEBI:35870 [2,0,0,0,0,0|2,0,0]=4 841 B1R0.1 [AsH]=[AsH] CHEBI:33107 [2,0,0,0,0,0|2,0,0]=4 842 B1R0.1 [AsH]=[AsH] CHEBI:33108 [2,0,0,0,0,0|2,0,0]=4 843 B1R0.1 [AsH]=[AsH] CHEBI:33109 [2,0,0,0,0,0|2,0,0]=4 844 B1R0.1 [As]#[As+] CHEBI:35869 [2,0,0,0,0,0|2,0,0]=4 845 B1R0.1 [As]#[As] CHEBI:35830 [2,0,0,0,0,0|2,0,0]=4 846 B1R0.1 [At][At] CHEBI:30414 [2,0,0,0,0,0|2,0,0]=4 847 B1R0.1 [B+2][B+2] CHEBI:51709 [2,0,0,0,0,0|2,0,0]=4 848 B1R0.1 [B]=O CHEBI:30162 [2,0,0,0,0,0|1,0,1]=4 849 B1R0.1 [B]C CHEBI:38987 [2,0,0,0,0,0|1,0,0]=3 850 B1R0.1 [B][O-] CHEBI:30160 [2,0,0,0,0,0|1,0,1]=4 851 B1R0.1 [Be]=O CHEBI:62842 [2,0,0,0,0,0|1,0,1]=4 852 B1R0.1 [Be]O CHEBI:35103 [2,0,0,0,0,0|1,0,0]=3 853 B1R0.1 [Br-]Br CHEBI:30075 [2,0,0,0,0,0|2,0,0]=4 854 B1R0.1 [C+]#N CHEBI:29307 [2,0,0,0,0,0|1,0,1]=4 855 B1R0.1 [C+]#[O+] CHEBI:29334 [2,0,0,0,0,0|0,0,2]=4 856 B1R0.1 [C-]#N CHEBI:17514 [2,0,0,0,0,0|1,0,1]=4 857 B1R0.1 [C-]#N CHEBI:33191 [2,0,0,0,0,0|1,0,1]=4 858 B1R0.1 [C-]#N CHEBI:33192 [2,0,0,0,0,0|1,0,1]=4 859 B1R0.1 [C-]#[C+] CHEBI:30083 [2,0,0,0,0,0|0,0,2]=4 860 B1R0.1 [C-]#[C-] CHEBI:30081 [2,0,0,0,0,0|0,0,2]=4 861 B1R0.1 [C-]#[C-] CHEBI:55388 [2,0,0,0,0,0|0,0,2]=4 862 B1R0.1 [C-]#[C] CHEBI:30082 [2,0,0,0,0,0|0,0,2]=4 863 B1R0.1 [C-]#[NH+] CHEBI:36856 [2,0,0,0,0,0|1,0,1]=4 864 B1R0.1 [C-]#[O+] CHEBI:17245 [2,0,0,0,0,0|0,0,2]=4 865 B1R0.1 [C-]#[S+] CHEBI:30253 [2,0,0,0,0,0|0,1,1]=4 866 B1R0.1 [C-]#[Si+] CHEBI:29390 [2,0,0,0,0,0|0,1,1]=4 867 B1R0.1 [C-]=O CHEBI:29335 [2,0,0,0,0,0|0,0,2]=4 868 B1R0.1 [C-]=S CHEBI:30255 [2,0,0,0,0,0|0,1,1]=4 869 B1R0.1 [CH]=O CHEBI:29327 [2,0,0,0,0,0|0,0,2]=4 870 B1R0.1 [C]#N CHEBI:29306 [2,0,0,0,0,0|1,0,1]=4 871 B1R0.1 [C]#[C+] CHEBI:30084 [2,0,0,0,0,0|0,0,2]=4 872 B1R0.1 [C]#[O+] CHEBI:29333 [2,0,0,0,0,0|0,0,2]=4 873 B1R0.1 [C]#[S+] CHEBI:30254 [2,0,0,0,0,0|0,1,1]=4 874 B1R0.1 [Cl-]Cl CHEBI:29413 [2,0,0,0,0,0|2,0,0]=4 875 B1R0.1 [F-]F CHEBI:30238 [2,0,0,0,0,0|2,0,0]=4 876 B1R0.1 [H+][Li] CHEBI:30147 [2,0,0,0,0,0|2,0,0]=4 877 B1R0.1 [H+][N] CHEBI:29344 [2,0,0,0,0,0|2,0,0]=4 878 B1R0.1 [H+][P] CHEBI:29940 [2,0,0,0,0,0|2,0,0]=4 879 B1R0.1 [H-][Li] CHEBI:30148 [2,0,0,0,0,0|2,0,0]=4 880 B1R0.1 [He+][He+] CHEBI:33684 [2,0,0,0,0,0|2,0,0]=4 881 B1R0.1 [He-][He] CHEBI:33686 [2,0,0,0,0,0|2,0,0]=4 882 B1R0.1 [He][He+] CHEBI:33682 [2,0,0,0,0,0|2,0,0]=4 883 B1R0.1 [He][He] CHEBI:33685 [2,0,0,0,0,0|2,0,0]=4 884 B1R0.1 [Hg+][Hg+] CHEBI:25198 [2,0,0,0,0,0|2,0,0]=4 885 B1R0.1 [I-]I CHEBI:36898 [2,0,0,0,0,0|2,0,0]=4 886 B1R0.1 [In]#[In] CHEBI:37116 [2,0,0,0,0,0|2,0,0]=4 887 B1R0.1 [Li]C CHEBI:51486 [2,0,0,0,0,0|1,0,0]=3 888 B1R0.1 [Mo]#[Mo] CHEBI:37238 [2,0,0,0,0,0|2,0,0]=4 889 B1R0.1 [N-2][N-2] CHEBI:29278 [2,0,0,0,0,0|2,0,0]=4 890 B1R0.1 [N-]=O CHEBI:29121 [2,0,0,0,0,0|1,0,1]=4 891 B1R0.1 [N-]=[N-] CHEBI:29277 [2,0,0,0,0,0|2,0,0]=4 892 B1R0.1 [NH+]#N CHEBI:30102 [2,0,0,0,0,0|2,0,0]=4 893 B1R0.1 [NH+]#[NH+] CHEBI:30099 [2,0,0,0,0,0|2,0,0]=4 894 B1R0.1 [NH-]O CHEBI:29772 [2,0,0,0,0,0|1,0,0]=3 895 B1R0.1 [NH-][N-2] CHEBI:30104 [2,0,0,0,0,0|2,0,0]=4 896 B1R0.1 [NH-][NH-] CHEBI:30100 [2,0,0,0,0,0|2,0,0]=4 897 B1R0.1 [NH2+]=N CHEBI:30094 [2,0,0,0,0,0|2,0,0]=4 898 B1R0.1 [NH3+]N CHEBI:35324 [2,0,0,0,0,0|2,0,0]=4 899 B1R0.1 [NH3+][NH3+] CHEBI:35325 [2,0,0,0,0,0|2,0,0]=4 900 B1R0.1 [NH]O CHEBI:29768 [2,0,0,0,0,0|1,0,0]=3 901 B1R0.1 [N]=O CHEBI:16480 [2,0,0,0,0,0|1,0,1]=4 902 B1R0.1 [N]=S CHEBI:29451 [2,0,0,0,0,0|1,1,0]=4 903 B1R0.1 [N][O-] CHEBI:29272 [2,0,0,0,0,0|1,0,1]=4 904 B1R0.1 [O+]#P CHEBI:33124 [2,0,0,0,0,0|1,0,1]=4 905 B1R0.1 [O+]#[O+] CHEBI:29371 [2,0,0,0,0,0|1,0,1]=4 906 B1R0.1 [O+]#[Si-] CHEBI:30588 [2,0,0,0,0,0|0,1,1]=4 907 B1R0.1 [O-]Br CHEBI:29250 [2,0,0,0,0,0|1,0,1]=4 908 B1R0.1 [O-]Cl CHEBI:29222 [2,0,0,0,0,0|1,0,1]=4 909 B1R0.1 [O-]Cl CHEBI:32146 [2,0,0,0,0,0|1,0,1]=4 910 B1R0.1 [O-]F CHEBI:30244 [2,0,0,0,0,0|1,0,1]=4 911 B1R0.1 [O-]I CHEBI:29232 [2,0,0,0,0,0|1,0,1]=4 912 B1R0.1 [O-]S CHEBI:37859 [2,0,0,0,0,0|1,0,1]=4 913 B1R0.1 [O-][Al] CHEBI:30130 [2,0,0,0,0,0|1,0,1]=4 914 B1R0.1 [O-][AsH2] CHEBI:29845 [2,0,0,0,0,0|1,0,1]=4 915 B1R0.1 [O-][I-] CHEBI:29900 [2,0,0,0,0,0|1,0,1]=4 916 B1R0.1 [O-][O-] CHEBI:44785 [2,0,0,0,0,0|1,0,1]=4 917 B1R0.1 [O-][O] CHEBI:18421 [2,0,0,0,0,0|1,0,1]=4 918 B1R0.1 [OH+]=O CHEBI:29793 [2,0,0,0,0,0|1,0,1]=4 919 B1R0.1 [O]Br CHEBI:29876 [2,0,0,0,0,0|1,0,1]=4 920 B1R0.1 [O]Cl CHEBI:29314 [2,0,0,0,0,0|1,0,1]=4 921 B1R0.1 [O]F CHEBI:30242 [2,0,0,0,0,0|1,0,1]=4 922 B1R0.1 [O]I CHEBI:29896 [2,0,0,0,0,0|1,0,1]=4 923 B1R0.1 [O][O] CHEBI:27140 [2,0,0,0,0,0|1,0,1]=4 924 B1R0.1 [O][S-] CHEBI:29824 [2,0,0,0,0,0|1,0,1]=4 925 B1R0.1 [P-]=[P-] CHEBI:33479 [2,0,0,0,0,0|2,0,0]=4 926 B1R0.1 [P-]=[P] CHEBI:33480 [2,0,0,0,0,0|2,0,0]=4 927 B1R0.1 [S-][S-] CHEBI:29396 [2,0,0,0,0,0|1,1,0]=4 928 B1R0.1 [S-][S-] CHEBI:86471 [2,0,0,0,0,0|1,1,0]=4 929 B1R0.1 [S-][S] CHEBI:29395 [2,0,0,0,0,0|1,1,0]=4 930 B1R0.1 [Sb]#[Sb] CHEBI:30303 [2,0,0,0,0,0|2,0,0]=4 931 B1R0.1 [SeH][Se-] CHEBI:30603 [2,0,0,0,0,0|1,1,0]=4 932 B1R0.1 [SeH][SeH] CHEBI:50476 [2,0,0,0,0,0|1,1,0]=4 933 B1R0.1 [Se]=[Cd] CHEBI:50834 [2,0,0,0,0,0|1,1,0]=4 934 B1R0.1 [Se]=[Se] CHEBI:36905 [2,0,0,0,0,0|1,1,0]=4 935 B1R0.1 [Si-]#[Si-] CHEBI:30592 [2,0,0,0,0,0|0,2,0]=4 936 B1R0.1 [SiH3][SiH2+] CHEBI:30595 [2,0,0,0,0,0|0,2,0]=4 937 B1R0.1 [SiH3][SiH2-] CHEBI:30596 [2,0,0,0,0,0|0,2,0]=4 938 B1R0.1 [SiH3][SiH2] CHEBI:30593 [2,0,0,0,0,0|0,2,0]=4 939 B1R0.1 [SiH3][SiH3] CHEBI:30597 [2,0,0,0,0,0|0,2,0]=4 940 B1R0.1 [Si]#[Si+] CHEBI:30591 [2,0,0,0,0,0|0,2,0]=4 941 B1R0.1 [Si]#[Si] CHEBI:30590 [2,0,0,0,0,0|0,2,0]=4 942 B1R0.1 [TeH][Te-] CHEBI:30600 [2,0,0,0,0,0|1,1,0]=4 943 B1R0.1 [TeH][TeH] CHEBI:50478 [2,0,0,0,0,0|1,1,0]=4 944 B1R0.1 [Tl]#[Tl] CHEBI:37118 [2,0,0,0,0,0|2,0,0]=4 945 B1R0.1 [U]#[U] CHEBI:50560 [2,0,0,0,0,0|2,0,0]=4 946 B1R0.1 [Zn]=[Zn] CHEBI:37256 [2,0,0,0,0,0|2,0,0]=4 947 B3R0.1 B(BO)O CHEBI:38274 [1,1,0,0,0,0|2,0,0]=4 948 B3R0.1 C#CCO CHEBI:28905 [1,1,0,0,0,0|0,0,1]=3 949 B3R0.1 C(#N)O[K] CHEBI:38904 [1,1,0,0,0,0|1,0,1]=4 950 B3R0.1 C(#N)O[Na] CHEBI:38906 [1,1,0,0,0,0|1,0,1]=4 951 B3R0.1 C(=C/O)/O CHEBI:131198 [1,1,0,0,0,0|0,0,2]=4 952 B3R0.1 C(C=O)Cl CHEBI:27871 [1,1,0,0,0,0|0,0,2]=4 953 B3R0.1 C(C=O)F CHEBI:14272 [1,1,0,0,0,0|0,0,2]=4 954 B3R0.1 C(C=O)N CHEBI:17628 [1,1,0,0,0,0|0,0,2]=4 955 B3R0.1 C(C=O)O CHEBI:17071 [1,1,0,0,0,0|0,0,1]=3 956 B3R0.1 C(C=O)[NH3+] CHEBI:58213 [1,1,0,0,0,0|0,0,2]=4 957 B3R0.1 C(CBr)Br CHEBI:28534 [1,1,0,0,0,0|1,0,0]=3 958 B3R0.1 C(CBr)Cl CHEBI:19032 [1,1,0,0,0,0|1,0,0]=3 959 B3R0.1 C(CCl)Cl CHEBI:27789 [1,1,0,0,0,0|1,0,0]=3 960 B3R0.1 C(CCl)O CHEBI:28200 [1,1,0,0,0,0|0,0,0]=2 961 B3R0.1 C(CN)N CHEBI:30346 [1,1,0,0,0,0|1,0,0]=3 962 B3R0.1 C(CN)N CHEBI:30347 [1,1,0,0,0,0|1,0,0]=3 963 B3R0.1 C(CN)N CHEBI:53626 [1,1,0,0,0,0|1,0,0]=3 964 B3R0.1 C(CO)N CHEBI:16000 [1,1,0,0,0,0|0,0,0]=2 965 B3R0.1 C(CO)O CHEBI:30742 [1,1,0,0,0,0|0,0,0]=2 966 B3R0.1 C(CO)[NH3+] CHEBI:57603 [1,1,0,0,0,0|0,0,0]=2 967 B3R0.1 C(CO)[NH3+] CHEBI:63878 [1,1,0,0,0,0|0,0,0]=2 968 B3R0.1 C(CS)N CHEBI:17141 [1,1,0,0,0,0|0,1,0]=3 969 B3R0.1 C(CS)O CHEBI:41218 [1,1,0,0,0,0|0,0,0]=2 970 B3R0.1 C(CS)[NH3+] CHEBI:58029 [1,1,0,0,0,0|0,1,0]=3 971 B3R0.1 C=CCO CHEBI:16605 [1,1,0,0,0,0|0,0,1]=3 972 B3R0.1 CC#N=S CHEBI:47842 [1,1,0,0,0,0|0,1,1]=4 973 B3R0.1 CC#[N+][O-] CHEBI:47841 [1,1,0,0,0,0|0,0,2]=4 974 B3R0.1 CC=C=C CHEBI:39480 [1,1,0,0,0,0|0,0,2]=4 975 B3R0.1 CC=[N+]=[N-] CHEBI:87492 [1,1,0,0,0,0|1,0,1]=4 976 B3R0.1 CCC#C CHEBI:48087 [1,1,0,0,0,0|0,0,1]=3 977 B3R0.1 CCC#N CHEBI:26307 [1,1,0,0,0,0|0,0,1]=3 978 B3R0.1 CCC=C CHEBI:48362 [1,1,0,0,0,0|0,0,1]=3 979 B3R0.1 CCC=O CHEBI:17153 [1,1,0,0,0,0|0,0,1]=3 980 B3R0.1 CCCBr CHEBI:47105 [1,1,0,0,0,0|0,0,0]=2 981 B3R0.1 CCCC CHEBI:37808 [1,1,0,0,0,0|0,0,0]=2 982 B3R0.1 CCCN CHEBI:39870 [1,1,0,0,0,0|0,0,0]=2 983 B3R0.1 CCCO CHEBI:28831 [1,1,0,0,0,0|0,0,0]=2 984 B3R0.1 CCCP CHEBI:35891 [1,1,0,0,0,0|0,0,0]=2 985 B3R0.1 CCCS CHEBI:8473 [1,1,0,0,0,0|0,0,0]=2 986 B3R0.1 CCC[NH3+] CHEBI:566825 [1,1,0,0,0,0|0,0,0]=2 987 B3R0.1 CCN=O CHEBI:50722 [1,1,0,0,0,0|0,0,1]=3 988 B3R0.1 CCOC CHEBI:39832 [1,1,0,0,0,0|0,0,0]=2 989 B3R0.1 CC[Mg]Cl CHEBI:51239 [1,1,0,0,0,0|1,0,0]=3 990 B3R0.1 CN=C=O CHEBI:59059 [1,1,0,0,0,0|0,0,2]=4 991 B3R0.1 CN=C=S CHEBI:78337 [1,1,0,0,0,0|0,1,1]=4 992 B3R0.1 CNC=O CHEBI:7438 [1,1,0,0,0,0|0,0,2]=4 993 B3R0.1 CNNC CHEBI:73755 [1,1,0,0,0,0|1,0,0]=3 994 B3R0.1 CNNC CHEBI:73759 [1,1,0,0,0,0|1,0,0]=3 995 B3R0.1 COC#N CHEBI:38907 [1,1,0,0,0,0|1,0,1]=4 996 B3R0.1 COC=O CHEBI:77699 [1,1,0,0,0,0|0,0,2]=4 997 B3R0.1 COCO CHEBI:46791 [1,1,0,0,0,0|0,0,0]=2 998 B3R0.1 COOC CHEBI:35928 [1,1,0,0,0,0|1,0,0]=3 999 B3R0.1 CSC#N CHEBI:61112 [1,1,0,0,0,0|1,0,1]=4 1000 B3R0.1 CSSC CHEBI:4608 [1,1,0,0,0,0|1,0,0]=3 1001 B3R0.1 C[NH2+][NH2+]C CHEBI:73760 [1,1,0,0,0,0|1,0,0]=3 1002 B3R0.1 C[Te][Te]C CHEBI:68648 [1,1,0,0,0,0|1,0,0]=3 1003 B3R0.1 C\C=C/C CHEBI:48366 [1,1,0,0,0,0|0,0,1]=3 1004 B3R0.1 C\C=C\C CHEBI:48363 [1,1,0,0,0,0|0,0,1]=3 1005 B3R0.1 C\C=C\C CHEBI:48365 [1,1,0,0,0,0|0,0,1]=3 1006 B3R0.1 C\C=C\S CHEBI:59723 [1,1,0,0,0,0|0,0,2]=4 1007 B3R0.1 C\C=N/N CHEBI:38538 [1,1,0,0,0,0|1,0,1]=4 1008 B3R0.1 C\C=N/O CHEBI:50719 [1,1,0,0,0,0|0,0,1]=3 1009 B3R0.1 C\C=N\N CHEBI:38535 [1,1,0,0,0,0|1,0,1]=4 1010 B3R0.1 C\C=N\N CHEBI:38536 [1,1,0,0,0,0|1,0,1]=4 1011 B3R0.1 C\C=N\O CHEBI:28465 [1,1,0,0,0,0|0,0,1]=3 1012 B3R0.1 C\C=N\O CHEBI:50718 [1,1,0,0,0,0|0,0,1]=3 1013 B3R0.1 N(=NO)O CHEBI:14428 [1,1,0,0,0,0|2,0,0]=4 1014 B3R0.1 N(=N[O-])O CHEBI:50115 [1,1,0,0,0,0|2,0,0]=4 1015 B3R0.1 N(=O)OO CHEBI:25942 [1,1,0,0,0,0|2,0,0]=4 1016 B3R0.1 N(=O)O[O-] CHEBI:25941 [1,1,0,0,0,0|2,0,0]=4 1017 B3R0.1 N(=O)O[O] CHEBI:29330 [1,1,0,0,0,0|2,0,0]=4 1018 B3R0.1 O(OCl)Cl CHEBI:35927 [1,1,0,0,0,0|2,0,0]=4 1019 B3R0.1 O(OF)F CHEBI:47866 [1,1,0,0,0,0|2,0,0]=4 1020 B3R0.1 O(O[S-])[S-] CHEBI:29391 [1,1,0,0,0,0|2,0,0]=4 1021 B3R0.1 O=ClOCl CHEBI:52354 [1,1,0,0,0,0|2,0,0]=4 1022 B3R0.1 OSSO CHEBI:35921 [1,1,0,0,0,0|2,0,0]=4 1023 B3R0.1 OSS[O-] CHEBI:35922 [1,1,0,0,0,0|2,0,0]=4 1024 B3R0.1 [*]C#CO CHEBI:33824 [1,1,0,0,0,0|0,0,2]=4 1025 B3R0.1 [*]CN[*] CHEBI:50981 [1,1,0,0,0,0|2,0,0]=4 1026 B3R0.1 [*]C[NH2+][*] CHEBI:58855 [1,1,0,0,0,0|2,0,0]=4 1027 B3R0.1 [*]\C=N/O CHEBI:22307 [1,1,0,0,0,0|1,0,1]=4 1028 B3R0.1 [C](=O)OO CHEBI:29790 [1,1,0,0,0,0|1,0,1]=4 1029 B3R0.1 [C](=O)O[O-] CHEBI:29788 [1,1,0,0,0,0|1,0,1]=4 1030 B3R0.1 [Li]C#CC CHEBI:51473 [1,1,0,0,0,0|0,0,2]=4 1031 B5R0.1 C#CCC(=O)O CHEBI:1461 [0,2,0,0,0,0|1,0,1]=4 1032 B5R0.1 C(C#N)C(=O)O CHEBI:51889 [0,2,0,0,0,0|1,0,1]=4 1033 B5R0.1 C(C(=O)O)NO CHEBI:38049 [0,2,0,0,0,0|1,0,1]=4 1034 B5R0.1 C(C=O)C(=O)O CHEBI:17960 [0,2,0,0,0,0|1,0,1]=4 1035 B5R0.1 C(CN)C(=O)O CHEBI:16958 [0,2,0,0,0,0|1,0,1]=4 1036 B5R0.1 C(CO)C(=O)O CHEBI:33404 [0,2,0,0,0,0|1,0,1]=4 1037 B5R0.1 C(CS(=O)O)N CHEBI:16668 [0,2,0,0,0,0|2,0,0]=4 1038 B5R0.1 C(CS)C(=O)O CHEBI:44111 [0,2,0,0,0,0|1,0,1]=4 1039 B5R0.1 C=CCC(=O)O CHEBI:35897 [0,2,0,0,0,0|1,0,1]=4 1040 B5R0.1 CC#[N+][C-](C)C CHEBI:47847 [0,2,0,0,0,0|1,0,1]=4 1041 B5R0.1 CC(=C)CCO CHEBI:62898 [0,2,0,0,0,0|0,0,2]=4 1042 B5R0.1 CC(=CC=O)C CHEBI:15825 [0,2,0,0,0,0|0,0,2]=4 1043 B5R0.1 CC(=CCO)C CHEBI:16019 [0,2,0,0,0,0|0,0,1]=3 1044 B5R0.1 CC(=O)CC=C CHEBI:87508 [0,2,0,0,0,0|0,0,2]=4 1045 B5R0.1 CC(=O)CCO CHEBI:41268 [0,2,0,0,0,0|0,0,2]=4 1046 B5R0.1 CC(=O)OC=C CHEBI:46916 [0,2,0,0,0,0|1,0,1]=4 1047 B5R0.1 CC(C)CC=O CHEBI:16638 [0,2,0,0,0,0|0,0,1]=3 1048 B5R0.1 CC(C)CCN CHEBI:43689 [0,2,0,0,0,0|1,0,0]=3 1049 B5R0.1 CC(C)CCO CHEBI:15837 [0,2,0,0,0,0|0,0,0]=2 1050 B5R0.1 CC(C)CNO CHEBI:131928 [0,2,0,0,0,0|0,0,0]=2 1051 B5R0.1 CC(C)\C=C\O CHEBI:77922 [0,2,0,0,0,0|0,0,0]=2 1052 B5R0.1 CC(C)\C=N/O CHEBI:61144 [0,2,0,0,0,0|0,0,0]=2 1053 B5R0.1 CC(C)\C=N\O CHEBI:17502 [0,2,0,0,0,0|0,0,0]=2 1054 B5R0.1 CC(C)\C=N\O CHEBI:61143 [0,2,0,0,0,0|0,0,0]=2 1055 B5R0.1 CC(CCO)O CHEBI:52683 [0,2,0,0,0,0|0,0,0]=2 1056 B5R0.1 CC=CC(=O)C CHEBI:89540 [0,2,0,0,0,0|0,0,2]=4 1057 B5R0.1 CCCC(=O)C CHEBI:16472 [0,2,0,0,0,0|0,0,2]=4 1058 B5R0.1 CCCC(=O)O CHEBI:30772 [0,2,0,0,0,0|1,0,1]=4 1059 B5R0.1 CCCC(C)O CHEBI:77518 [0,2,0,0,0,0|0,0,0]=2 1060 B5R0.1 CCNC(=O)C CHEBI:87370 [0,2,0,0,0,0|0,0,2]=4 1061 B5R0.1 CCOC(=O)C CHEBI:27750 [0,2,0,0,0,0|0,0,2]=4 1062 B5R0.1 CCOC(=O)O CHEBI:50849 [0,2,0,0,0,0|1,0,1]=4 1063 B5R0.1 CCOP(=O)O CHEBI:40926 [0,2,0,0,0,0|2,0,0]=4 1064 B5R0.1 CN(C)CCCl CHEBI:78153 [0,2,0,0,0,0|2,0,0]=4 1065 B5R0.1 CN(C)CCCl CHEBI:78155 [0,2,0,0,0,0|2,0,0]=4 1066 B5R0.1 CN(C)CCO CHEBI:271436 [0,2,0,0,0,0|1,0,0]=3 1067 B5R0.1 CNCC(=O)O CHEBI:15611 [0,2,0,0,0,0|1,0,1]=4 1068 B5R0.1 COCC(=O)O CHEBI:132098 [0,2,0,0,0,0|1,0,1]=4 1069 B5R0.1 CSCC(=O)O CHEBI:47870 [0,2,0,0,0,0|1,0,1]=4 1070 B5R0.1 C[C@@H](CCO)O CHEBI:52688 [0,2,0,0,0,0|0,0,0]=2 1071 B5R0.1 C[C@H](CCO)O CHEBI:52687 [0,2,0,0,0,0|0,0,0]=2 1072 B5R0.1 C[NH+](C)CCCl CHEBI:78154 [0,2,0,0,0,0|2,0,0]=4 1073 B5R0.1 C[NH2+]CC(=O)O CHEBI:46842 [0,2,0,0,0,0|1,0,1]=4 1074 B5R0.1 C[S+](C)CCO CHEBI:63035 [0,2,0,0,0,0|1,0,0]=3 1075 B5R0.1 C\C=C/C(=O)O CHEBI:36253 [0,2,0,0,0,0|1,0,1]=4 1076 B5R0.1 C\C=C\C(=O)O CHEBI:17217 [0,2,0,0,0,0|1,0,1]=4 1077 B5R0.1 C\C=C\C(=O)O CHEBI:41131 [0,2,0,0,0,0|1,0,1]=4 1078 B5R0.1 C\[N+](=N\CO)\[O-] CHEBI:29323 [0,2,0,0,0,0|1,0,1]=4 1079 B5R0.3 C(C(=O)CO)O CHEBI:16016 [0,2,0,0,0,0|0,0,2]=4 1080 B5R0.3 C(C(=O)NO)N CHEBI:75426 [0,2,0,0,0,0|1,0,1]=4 1081 B5R0.3 C(C(C=O)O)O CHEBI:15693 [0,2,0,0,0,0|0,0,1]=3 1082 B5R0.3 C(C(C=O)O)O CHEBI:5445 [0,2,0,0,0,0|0,0,1]=3 1083 B5R0.3 C(C(CBr)Br)Br CHEBI:18859 [0,2,0,0,0,0|1,0,0]=3 1084 B5R0.3 C(C(CBr)O)O CHEBI:18719 [0,2,0,0,0,0|0,0,0]=2 1085 B5R0.3 C(C(CCl)O)Cl CHEBI:18917 [0,2,0,0,0,0|0,0,0]=2 1086 B5R0.3 C(C(CCl)O)O CHEBI:18721 [0,2,0,0,0,0|0,0,0]=2 1087 B5R0.3 C(C(CO)O)O CHEBI:17522 [0,2,0,0,0,0|0,0,0]=2 1088 B5R0.3 C(C(CO)O)O CHEBI:17754 [0,2,0,0,0,0|0,0,0]=2 1089 B5R0.3 C(C(CS)O)O CHEBI:74537 [0,2,0,0,0,0|0,0,0]=2 1090 B5R0.3 C(C(CS)S)O CHEBI:64198 [0,2,0,0,0,0|0,1,0]=3 1091 B5R0.3 C([C@@H](C=O)O)O CHEBI:27975 [0,2,0,0,0,0|0,0,1]=3 1092 B5R0.3 C([C@H](C=O)O)O CHEBI:17378 [0,2,0,0,0,0|0,0,1]=3 1093 B5R0.3 C([C@H](CCl)O)O CHEBI:18663 [0,2,0,0,0,0|0,0,0]=2 1094 B5R0.3 C([C@H](CS)O)O CHEBI:45619 [0,2,0,0,0,0|0,0,0]=2 1095 B5R0.3 CCC(=O)CC CHEBI:87755 [0,2,0,0,0,0|0,0,2]=4 1096 B5R0.3 CCC(C)C#N CHEBI:61669 [0,2,0,0,0,0|1,0,0]=3 1097 B5R0.3 CCC(C)C=O CHEBI:16182 [0,2,0,0,0,0|0,0,1]=3 1098 B5R0.3 CCC(C)CO CHEBI:48945 [0,2,0,0,0,0|0,0,0]=2 1099 B5R0.3 CCC(C)NC CHEBI:84267 [0,2,0,0,0,0|1,0,0]=3 1100 B5R0.3 CCC(CC)N CHEBI:84248 [0,2,0,0,0,0|1,0,0]=3 1101 B5R0.3 CCC(CC)O CHEBI:77519 [0,2,0,0,0,0|0,0,0]=2 1102 B5R0.3 CCC(CO)O CHEBI:52682 [0,2,0,0,0,0|0,0,0]=2 1103 B5R0.3 CCC(C[SnH3])O CHEBI:22843 [0,2,0,0,0,0|0,0,0]=2 1104 B5R0.3 CC[C@@H](C)CO CHEBI:50624 [0,2,0,0,0,0|0,0,0]=2 1105 B5R0.3 CC[C@@H](CO)O CHEBI:52686 [0,2,0,0,0,0|0,0,0]=2 1106 B5R0.3 CC[C@H](C)CO CHEBI:50625 [0,2,0,0,0,0|0,0,0]=2 1107 B5R0.3 CC[C@H](CO)O CHEBI:52685 [0,2,0,0,0,0|0,0,0]=2 1108 B5R0.3 CNC(=O)CS CHEBI:38731 [0,2,0,0,0,0|0,0,2]=4 1109 B5R0.3 CNC(=O)NC CHEBI:80472 [0,2,0,0,0,0|0,0,2]=4 1110 B5R0.3 COC(=O)CN CHEBI:87375 [0,2,0,0,0,0|0,0,2]=4 1111 B5R0.3 COC(=O)OC CHEBI:36596 [0,2,0,0,0,0|0,0,2]=4 1112 B5R0.3 COS(=O)OC CHEBI:48858 [0,2,0,0,0,0|1,0,1]=4 1113 B5R0.3 CO[Se](=O)OC CHEBI:48842 [0,2,0,0,0,0|1,0,1]=4 1114 B5R0.3 C\C(=N\O)\SC CHEBI:38534 [0,2,0,0,0,0|0,0,1]=3 1115 B5R0.4 C(C(Cl)(Cl)Cl)Cl CHEBI:34024 [0,2,0,0,0,0|2,0,0]=4 1116 B5R0.4 C(C(Cl)(Cl)Cl)O CHEBI:28094 [0,2,0,0,0,0|2,0,0]=4 1117 B5R0.4 C(C(F)(F)F)O CHEBI:42330 [0,2,0,0,0,0|2,0,0]=4 1118 B5R0.4 C(N)P(=O)(O)O CHEBI:28812 [0,2,0,0,0,0|2,0,0]=4 1119 B5R0.4 C(O)P(=O)(O)O CHEBI:5810 [0,2,0,0,0,0|2,0,0]=4 1120 B5R0.4 C(O)P(=O)(O)[O-] CHEBI:71199 [0,2,0,0,0,0|2,0,0]=4 1121 B5R0.4 C(O)[Si](O)(O)O CHEBI:24725 [0,2,0,0,0,0|1,1,0]=4 1122 B5R0.4 CC(C)(C#N)O CHEBI:15348 [0,2,0,0,0,0|0,0,0]=2 1123 B5R0.4 CC(C)(C)OC CHEBI:27642 [0,2,0,0,0,0|0,0,0]=2 1124 B5R0.4 CC(C)(C)OO CHEBI:64090 [0,2,0,0,0,0|0,0,0]=2 1125 B5R0.4 CC(C)(C=C)O CHEBI:132752 [0,2,0,0,0,0|0,0,0]=2 1126 B5R0.4 CC(C)(C=O)O CHEBI:131846 [0,2,0,0,0,0|0,0,0]=2 1127 B5R0.4 CC(C)(CO)O CHEBI:131845 [0,2,0,0,0,0|0,0,0]=2 1128 B5R0.4 CCC(C)(C)N CHEBI:84236 [0,2,0,0,0,0|1,0,0]=3 1129 B5R0.4 CCC(C)(C)O CHEBI:132750 [0,2,0,0,0,0|0,0,0]=2 1130 B5R0.4 CCS(=O)(=O)O CHEBI:42465 [0,2,0,0,0,0|2,0,0]=4 1131 B5R0.4 CC[N+](C)(C)C CHEBI:271685 [0,2,0,0,0,0|2,0,0]=4 1132 B5R0.4 CC[N+](C)(C)C CHEBI:55320 [0,2,0,0,0,0|2,0,0]=4 1133 B5R0.4 CC[Si](C)(C)C CHEBI:48788 [0,2,0,0,0,0|1,1,0]=4 1134 B5R0.4 COP(=O)(O)O CHEBI:340824 [0,2,0,0,0,0|2,0,0]=4 1135 B5R0.4 COS(=O)(=O)C CHEBI:25255 [0,2,0,0,0,0|1,0,1]=4 1136 B5R0.4 COS(=O)(=O)O CHEBI:17760 [0,2,0,0,0,0|2,0,0]=4 1137 B5R0.4 CSS(=O)(=O)C CHEBI:74357 [0,2,0,0,0,0|1,0,1]=4 1138 B5R0.4 C[Si](C=O)(O)O CHEBI:24096 [0,2,0,0,0,0|0,1,1]=4 1139 B5R0.4 C[Si](CO)(O)O CHEBI:24720 [0,2,0,0,0,0|0,1,0]=3 1140 B5R0.4 [*]C([*])(C#N)O CHEBI:23437 [0,2,0,0,0,0|1,0,1]=4 1141 B5R0.5 C(C(=O)O)(Br)Br CHEBI:90124 [0,2,0,0,0,0|1,0,1]=4 1142 B5R0.5 C(C(=O)O)(Cl)Br CHEBI:64206 [0,2,0,0,0,0|1,0,1]=4 1143 B5R0.5 C(C(=O)O)(Cl)Cl CHEBI:36386 [0,2,0,0,0,0|1,0,1]=4 1144 B5R0.5 C(C(=O)O)(F)F CHEBI:23716 [0,2,0,0,0,0|1,0,1]=4 1145 B5R0.5 C(C(=O)O)(N)O CHEBI:38048 [0,2,0,0,0,0|1,0,1]=4 1146 B5R0.5 C(C(Cl)Cl)(Cl)Cl CHEBI:36026 [0,2,0,0,0,0|2,0,0]=4 1147 B5R0.5 CC(=C)C(=O)O CHEBI:25219 [0,2,0,0,0,0|0,0,2]=4 1148 B5R0.5 CC(=N)C(=O)O CHEBI:76608 [0,2,0,0,0,0|1,0,1]=4 1149 B5R0.5 CC(=O)C(=O)C CHEBI:16583 [0,2,0,0,0,0|0,0,2]=4 1150 B5R0.5 CC(=O)C(=O)O CHEBI:32816 [0,2,0,0,0,0|1,0,1]=4 1151 B5R0.5 CC(=O)N(C)C CHEBI:84254 [0,2,0,0,0,0|0,0,2]=4 1152 B5R0.5 CC(C(=O)C)O CHEBI:15688 [0,2,0,0,0,0|0,0,0]=2 1153 B5R0.5 CC(C(=O)N)O CHEBI:75144 [0,2,0,0,0,0|0,0,1]=3 1154 B5R0.5 CC(C(=O)O)N CHEBI:16449 [0,2,0,0,0,0|1,0,0]=3 1155 B5R0.5 CC(C(=O)O)O CHEBI:78320 [0,2,0,0,0,0|0,0,1]=3 1156 B5R0.5 CC(C(=O)O)S CHEBI:47872 [0,2,0,0,0,0|1,0,0]=3 1157 B5R0.5 CC(C(=O)O)[NH3+] CHEBI:32440 [0,2,0,0,0,0|1,0,0]=3 1158 B5R0.5 CC(C(=O)[O-])N CHEBI:32439 [0,2,0,0,0,0|1,0,1]=4 1159 B5R0.5 CC(C(=O)[O-])O CHEBI:24996 [0,2,0,0,0,0|0,0,1]=3 1160 B5R0.5 CC(C(=O)[O-])O CHEBI:75228 [0,2,0,0,0,0|0,0,1]=3 1161 B5R0.5 CC(C(=O)[O-])[NH3+] CHEBI:66916 [0,2,0,0,0,0|1,0,1]=4 1162 B5R0.5 CC(C(C)O)O CHEBI:62064 [0,2,0,0,0,0|0,0,0]=2 1163 B5R0.5 CC(C)C(=O)O CHEBI:16135 [0,2,0,0,0,0|0,0,0]=2 1164 B5R0.5 CC(C)C(=O)[O-] CHEBI:48944 [0,2,0,0,0,0|0,0,1]=3 1165 B5R0.5 CC(C)C(C)O CHEBI:77517 [0,2,0,0,0,0|0,0,0]=2 1166 B5R0.5 CC(C)[N+](=O)[O-] CHEBI:16037 [0,2,0,0,0,0|0,0,1]=3 1167 B5R0.5 CN(C)C(=O)O CHEBI:38544 [0,2,0,0,0,0|1,0,0]=3 1168 B5R0.5 CN(C)C(=S)S CHEBI:83061 [0,2,0,0,0,0|1,1,0]=4 1169 B5R0.5 CN(C)C(=S)[S-] CHEBI:84293 [0,2,0,0,0,0|1,1,0]=4 1170 B5R0.5 C[C@@H](C(=O)C)O CHEBI:15687 [0,2,0,0,0,0|0,0,0]=2 1171 B5R0.5 C[C@@H](C(=O)N)N CHEBI:21217 [0,2,0,0,0,0|1,0,1]=4 1172 B5R0.5 C[C@@H](C(=O)N)[NH3+] CHEBI:74169 [0,2,0,0,0,0|1,0,1]=4 1173 B5R0.5 C[C@@H](C(=O)O)Cl CHEBI:73956 [0,2,0,0,0,0|1,0,0]=3 1174 B5R0.5 C[C@@H](C(=O)O)N CHEBI:16977 [0,2,0,0,0,0|1,0,0]=3 1175 B5R0.5 C[C@@H](C(=O)O)O CHEBI:422 [0,2,0,0,0,0|0,0,1]=3 1176 B5R0.5 C[C@@H](C(=O)O)S CHEBI:47873 [0,2,0,0,0,0|1,0,0]=3 1177 B5R0.5 C[C@@H](C(=O)O)[NH3+] CHEBI:32432 [0,2,0,0,0,0|1,0,0]=3 1178 B5R0.5 C[C@@H](C(=O)[O-])Cl CHEBI:73934 [0,2,0,0,0,0|1,0,1]=4 1179 B5R0.5 C[C@@H](C(=O)[O-])N CHEBI:32431 [0,2,0,0,0,0|1,0,1]=4 1180 B5R0.5 C[C@@H](C(=O)[O-])O CHEBI:16651 [0,2,0,0,0,0|0,0,1]=3 1181 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] CHEBI:57972 [0,2,0,0,0,0|1,0,1]=4 1182 B5R0.5 C[C@@H]([C@H](C)O)O CHEBI:16812 [0,2,0,0,0,0|0,0,0]=2 1183 B5R0.5 C[C@H](C(=O)C)O CHEBI:15686 [0,2,0,0,0,0|0,0,0]=2 1184 B5R0.5 C[C@H](C(=O)O)N CHEBI:15570 [0,2,0,0,0,0|1,0,0]=3 1185 B5R0.5 C[C@H](C(=O)O)O CHEBI:42111 [0,2,0,0,0,0|0,0,1]=3 1186 B5R0.5 C[C@H](C(=O)O)S CHEBI:47874 [0,2,0,0,0,0|1,0,0]=3 1187 B5R0.5 C[C@H](C(=O)O)[NH3+] CHEBI:32436 [0,2,0,0,0,0|1,0,0]=3 1188 B5R0.5 C[C@H](C(=O)[O-])N CHEBI:32435 [0,2,0,0,0,0|1,0,1]=4 1189 B5R0.5 C[C@H](C(=O)[O-])O CHEBI:16004 [0,2,0,0,0,0|0,0,1]=3 1190 B5R0.5 C[C@H](C(=O)[O-])[NH3+] CHEBI:57416 [0,2,0,0,0,0|1,0,1]=4 1191 B5R0.5 C[C@H]([C@@H](C)O)O CHEBI:16982 [0,2,0,0,0,0|0,0,0]=2 1192 B5R0.5 C[C@H]([C@H](C)O)O CHEBI:75460 [0,2,0,0,0,0|0,0,0]=2 1193 B5R0.5 [*]C(C)C(=O)O CHEBI:16333 [0,2,0,0,0,0|1,0,0]=3 1194 B5R0.6 C[As](C)(C)(C)C CHEBI:35867 [0,2,0,0,0,0|2,0,0]=4 1195 B3R1.1 C1=CO1 CHEBI:30973 [1,0,0,1,0,0|0,0,2]=4 1196 B3R1.1 C1=NO1 CHEBI:30978 [1,0,0,1,0,0|1,0,1]=4 1197 B3R1.1 C1C=C1 CHEBI:51205 [1,0,0,1,0,0|0,0,2]=4 1198 B3R1.1 C1C=N1 CHEBI:30971 [1,0,0,1,0,0|1,0,1]=4 1199 B3R1.1 C1CC1 CHEBI:30365 [1,0,0,1,0,0|0,0,0]=2 1200 B3R1.1 C1CN1 CHEBI:30969 [1,0,0,1,0,0|1,0,0]=3 1201 B3R1.1 C1CO1 CHEBI:27561 [1,0,0,1,0,0|0,0,0]=2 1202 B3R1.1 C1CS1 CHEBI:30977 [1,0,0,1,0,0|0,1,0]=3 1203 B3R1.1 C1C[NH2+]1 CHEBI:50929 [1,0,0,1,0,0|1,0,0]=3 1204 B3R1.1 C1N=N1 CHEBI:51620 [1,0,0,1,0,0|2,0,0]=4 1205 B3R1.1 O1O[Ca]1 CHEBI:48233 [1,0,0,1,0,0|2,0,0]=4 1206 B5R1.2 C1CNC1=O CHEBI:327119 [0,1,0,1,0,0|0,0,2]=4 1207 B5R1.2 C1COC1=O CHEBI:49073 [0,1,0,1,0,0|0,0,2]=4 1208 B5R1.3 C1C(O1)CBr CHEBI:18718 [0,1,0,1,0,0|0,0,0]=2 1209 B5R1.3 C1C(O1)CCl CHEBI:37144 [0,1,0,1,0,0|0,0,0]=2 1210 B5R1.3 C1C(O1)CO CHEBI:30966 [0,1,0,1,0,0|0,0,0]=2 1211 B5R1.3 C1[C@@H](O1)CCl CHEBI:18662 [0,1,0,1,0,0|0,0,0]=2 1212 B5R1.3 C1[C@@H](O1)CO CHEBI:38690 [0,1,0,1,0,0|0,0,0]=2 1213 B5R1.3 C1[C@H](O1)CCl CHEBI:37145 [0,1,0,1,0,0|0,0,0]=2 1214 B5R1.3 C1[C@H](O1)CO CHEBI:18664 [0,1,0,1,0,0|0,0,0]=2 1215 B5R1.3 C=CC1CN1 CHEBI:51318 [0,1,0,1,0,0|1,0,1]=4 1216 B5R1.3 C=CN1CC1 CHEBI:51317 [0,1,0,1,0,0|2,0,0]=4 1217 B5R1.5 C[N+]1(CC1)C CHEBI:50947 [0,1,0,1,0,0|2,0,0]=4