0 B5R0.5 C=C(C)C(N)=O SC-74591 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 C=C(F)C(=O)O SC-47473 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.5 CC(=O)C(=O)[O-] SC-26010 [0,0,0,0,0,0|0,0,3]=3 3 B5R0.5 CC(=O)C(C)Br SC-44476 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.5 CC(=O)C(C)Cl SC-46981 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 CC(=O)C(C)S SC-17208 [0,0,0,0,0,0|1,1,0]=2 6 B5R0.5 CC(=O)C(F)F SC-99156 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.5 CC(=O)N(C)C SC-54108 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.5 CC(=S)C(C)S SC-42614 [0,0,0,0,0,0|1,2,0]=3 9 B5R0.5 CC(Br)C(N)=O SC-97497 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.5 CC(C)=C(C)C SC-26845 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.5 CC(C)B(O)O SC-66620 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.5 CC(C)C(=N)N SC-13079 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.5 CC(C)C(C)N SC-27570 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.5 CC(Cl)C(=N)N SC-39558 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.5 CC(Cl)C(Cl)Cl SC-25006 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.5 CC(Cl)C(N)=O SC-50401 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.5 CC(F)C(=O)O SC-83429 [0,0,0,0,0,0|1,0,0]=1 18 B5R0.5 CC(N)C(=O)O SC-09271 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.5 CC(N)C(N)=O SC-94219 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.5 CC(O)C(=O)O SC-20005 [0,0,0,0,0,0|0,0,0]=0 21 B5R0.5 CC(O)C(=O)[O-] SC-15837 [0,0,0,0,0,0|0,0,1]=1 22 B5R0.5 CC(O)C(=O)[O-] SC-18033 [0,0,0,0,0,0|0,0,1]=1 23 B5R0.5 CC(O)C(=O)[O-] SC-19308 [0,0,0,0,0,0|0,0,1]=1 24 B5R0.5 CC(O)C(=O)[O-] SC-46260 [0,0,0,0,0,0|0,0,1]=1 25 B5R0.5 CC(O)C(C)O SC-08971 [0,0,0,0,0,0|1,0,1]=2 26 B5R0.5 CC(O)C(C)O SC-81338 [0,0,0,0,0,0|1,0,1]=2 27 B5R0.5 CN(C)C(=O)Cl SC-15201 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.5 CN(C)C(=S)Cl SC-15756 [0,0,0,0,0,0|3,1,0]=4 29 B5R0.5 CN(C)C(N)=S SC-A2077 [0,0,0,0,0,0|3,1,0]=4 30 B5R0.5 CN(N)C(=N)N SC-51509 [0,0,0,0,0,0|4,0,0]=4 31 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [0,0,0,0,0,0|1,0,0]=1 32 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [0,0,0,0,0,0|1,0,0]=1 33 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [0,0,0,0,0,0|1,0,0]=1 35 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [0,0,0,0,0,0|1,0,0]=1 36 B5R0.5 C[C@H](N)C(N)=O SC-03542 [0,0,0,0,0,0|2,0,0]=2 37 B5R0.5 C[C@H](O)C(N)=O SC-73228 [0,0,0,0,0,0|1,0,0]=1 38 B5R0.5 C[C@H](O)[C@H](C)O SC-08972 [0,0,0,0,0,0|1,0,1]=2 39 B5R0.5 N=C(N)C(Cl)Cl SC-41996 [0,0,0,0,0,0|4,0,0]=4 40 B5R0.5 NC(=O)C(=O)[O-] SC-52623 [0,0,0,0,0,0|1,0,3]=4 41 B5R0.5 NC(=O)C(F)F SC-A2453 [0,0,0,0,0,0|3,0,0]=3 42 B5R0.5 O=C(O)C(=O)O SC-52693 [0,0,0,0,0,0|1,0,1]=2 43 B5R0.5 O=C(O)C(=O)O SC-80488 [0,0,0,0,0,0|1,0,1]=2 44 B5R0.5 O=C(O)C(=O)O SC-88459 [0,0,0,0,0,0|1,0,1]=2 45 B5R0.5 O=C(O)C(=O)O SC-96241 [0,0,0,0,0,0|1,0,1]=2 46 B5R0.5 O=C(O)C(F)Br SC-49620 [0,0,0,0,0,0|2,0,0]=2 47 B5R0.5 O=C([O-])C(=O)[O-] SC-18446 [0,0,0,0,0,0|1,0,3]=4 48 B5R0.5 O=C([O-])C(=O)[O-] SC-20134 [0,0,0,0,0,0|1,0,3]=4 49 B5R0.5 O=C([O-])C(=O)[O-] SC-74359 [0,0,0,0,0,0|1,0,3]=4 50 B5R0.5 O=C([O-])C(=O)[O-] SC-A2542 [0,0,0,0,0,0|1,0,3]=4 51 B5R0.5 O=C([O-])C(Cl)Cl SC-15953 [0,0,0,0,0,0|2,0,1]=3 52 B5R0.5 OB(O)B(O)O SC-53118 [0,0,0,0,0,0|3,0,1]=4 53 B5R0.5 [2H]C(=O)N(C)C SC-97589 [0,0,0,0,0,0|3,0,0]=3 54 B5R0.5 [C@@H](C)(N)C(N)=O SC-22084 [0,0,0,0,0,0|2,0,0]=2 55 B4R0.1 C#CC(=O)O SC-46968 [1,0,0,0,0,0|0,0,2]=3 56 B4R0.1 C#CC(C)=O SC-77912 [1,0,0,0,0,0|1,0,2]=4 57 B4R0.1 C#CC(C)N SC-52789 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 C#CC(C)N SC-A2988 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 C#CC(C)O SC-26644 [1,0,0,0,0,0|1,0,1]=3 60 B4R0.1 C=C(Br)CO SC-82232 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.1 C=C(C)CBr SC-50158 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.1 C=C(C)CF SC-89300 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.1 C=C(C)CN SC-43404 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.1 C=C(C)CN SC-84159 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.1 C=C(N)OC SC-01201 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.1 C=CC(=O)[O-] SC-19971 [1,0,0,0,0,0|0,0,3]=4 67 B4R0.1 C=CC(C)Cl SC-53817 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.1 C=CC(C)O SC-43661 [1,0,0,0,0,0|1,0,0]=2 69 B4R0.1 C=C[C@H](C)N SC-67439 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.1 CC(=O)CN SC-28532 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.1 CC(=O)CN SC-89750 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.1 CC(=O)NO SC-18498 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 CC(Br)C#N SC-48220 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.1 CC(Br)CO SC-A3571 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.1 CC(C)=CBr SC-52196 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.1 CC(C)=C[Mg+] SC-73153 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.1 CC(C)C[Mg+] SC-69019 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.1 CC(C)NN SC-21077 [1,0,0,0,0,0|3,0,0]=4 79 B4R0.1 CC(C)NN SC-73657 [1,0,0,0,0,0|3,0,0]=4 80 B4R0.1 CC(C)NO SC-A3794 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.1 CC(C)ON SC-87607 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.1 CC(Cl)C#N SC-53702 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.1 CC(Cl)CN SC-40273 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.1 CC(N)C#N SC-92053 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.1 CC(N)CO SC-18397 [1,0,0,0,0,0|1,0,1]=3 86 B4R0.1 CC(O)CCl SC-79372 [1,0,0,0,0,0|1,0,1]=3 87 B4R0.1 CC(S)CS SC-A2768 [1,0,0,0,0,0|0,2,1]=4 88 B4R0.1 CCB(O)O SC-04516 [1,0,0,0,0,0|1,0,1]=3 89 B4R0.1 CCC(=N)N SC-39291 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.1 CCC(=N)N SC-53846 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.1 CCC(=O)[O-] SC-47286 [1,0,0,0,0,0|0,0,1]=2 92 B4R0.1 CCC(C)O SC-01234 [1,0,0,0,0,0|1,0,1]=3 93 B4R0.1 CCC(N)=O SC-18213 [1,0,0,0,0,0|1,0,0]=2 94 B4R0.1 CCN(C)N SC-A4596 [1,0,0,0,0,0|3,0,0]=4 95 B4R0.1 CCS(=O)[O-] SC-20356 [1,0,0,0,0,0|1,0,1]=3 96 B4R0.1 CC[C@H](C)N SC-81828 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.1 CC[C@H](C)N SC-A5647 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.1 CC[C@H](C)O SC-04418 [1,0,0,0,0,0|1,0,1]=3 99 B4R0.1 CNC(=N)N SC-18775 [1,0,0,0,0,0|3,0,0]=4 100 B4R0.1 CNC(=N)N SC-78334 [1,0,0,0,0,0|3,0,0]=4 101 B4R0.1 CNC(C)C SC-04732 [1,0,0,0,0,0|3,0,0]=4 102 B4R0.1 COC(=N)N SC-46936 [1,0,0,0,0,0|3,0,0]=4 103 B4R0.1 COC(=N)N SC-65775 [1,0,0,0,0,0|3,0,0]=4 104 B4R0.1 C[C@@H](N)CN SC-08946 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.1 C[C@@H](O)CN SC-03087 [1,0,0,0,0,0|1,0,1]=3 106 B4R0.1 C[C@H](Cl)CO SC-98590 [1,0,0,0,0,0|1,0,1]=3 107 B4R0.1 C[C@H](N)C#N SC-A5839 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.1 C[C@H](N)CN SC-08947 [1,0,0,0,0,0|2,0,1]=4 109 B4R0.1 C[C@H](O)CCl SC-99597 [1,0,0,0,0,0|1,0,1]=3 110 B4R0.1 C[C@H](O)CN SC-03088 [1,0,0,0,0,0|1,0,1]=3 111 B4R0.1 C[C@H](O)CO SC-04434 [1,0,0,0,0,0|0,0,1]=2 112 B4R0.1 C\C(N)=N\O SC-29589 [1,0,0,0,0,0|2,0,1]=4 113 B4R0.1 C\C=C(\C)Br SC-91379 [1,0,0,0,0,0|2,0,1]=4 114 B4R0.1 N=C(N)CCl SC-69732 [1,0,0,0,0,0|3,0,0]=4 115 B4R0.1 N=C(N)CF SC-40566 [1,0,0,0,0,0|3,0,0]=4 116 B4R0.1 N=C(N)CO SC-41719 [1,0,0,0,0,0|2,0,0]=3 117 B4R0.1 N=C(N)CO SC-50460 [1,0,0,0,0,0|2,0,0]=3 118 B4R0.1 NC(=O)CBr SC-17752 [1,0,0,0,0,0|2,0,0]=3 119 B4R0.1 NC(=O)CI SC-18913 [1,0,0,0,0,0|2,0,0]=3 120 B4R0.1 NC(=O)CO SC-26304 [1,0,0,0,0,0|1,0,0]=2 121 B4R0.1 NC(=O)NO SC-17803 [1,0,0,0,0,0|2,0,0]=3 122 B4R0.1 NCC(=O)O SC-26815 [1,0,0,0,0,0|1,0,0]=2 123 B4R0.1 NCC(=O)O SC-26884 [1,0,0,0,0,0|1,0,0]=2 124 B4R0.1 NCC(N)=O SC-18427 [1,0,0,0,0,0|2,0,0]=3 125 B4R0.1 NNC(N)=O SC-47308 [1,0,0,0,0,0|3,0,0]=4 126 B4R0.1 O=C(Cl)CBr SC-49267 [1,0,0,0,0,0|2,0,0]=3 127 B4R0.1 O=C(O)CBr SC-18211 [1,0,0,0,0,0|1,0,0]=2 128 B4R0.1 O=C(O)CI SC-57980 [1,0,0,0,0,0|1,0,0]=2 129 B4R0.1 O=C(O)CO SC-26092 [1,0,0,0,0,0|0,0,0]=1 130 B4R0.1 O=C(O)CO SC-85771 [1,0,0,0,0,0|0,0,0]=1 131 B4R0.1 O=C(O)CS SC-18319 [1,0,0,0,0,0|0,1,0]=2 132 B4R0.1 O=C([O-])CBr SC-50549 [1,0,0,0,0,0|1,0,1]=3 133 B4R0.1 O=C([O-])CI SC-80290 [1,0,0,0,0,0|1,0,1]=3 134 B4R0.1 O=C([O-])CO SC-89096 [1,0,0,0,0,0|0,0,1]=2 135 B4R0.1 O=CC(=O)O SC-18712 [1,0,0,0,0,0|0,0,2]=3 136 B4R0.1 O=CC(=O)O SC-25819 [1,0,0,0,0,0|0,0,2]=3 137 B4R0.1 OCC(F)F SC-16815 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.1 ON=C(Br)Br SC-48802 [1,0,0,0,0,0|3,0,0]=4 139 B4R0.1 [C@@H](C)(O)C#C SC-47963 [1,0,0,0,0,0|1,0,1]=3 140 B4R0.1 [C@H](C)(O)C#C SC-47962 [1,0,0,0,0,0|1,0,1]=3 141 B6R0.3 C=C(Br)C(=O)OC SC-86871 [0,1,0,0,0,0|1,0,2]=4 142 B6R0.3 C=C(C#N)C(=O)O SC-66090 [0,1,0,0,0,0|1,0,2]=4 143 B6R0.3 C=C(CBr)C(=O)O SC-94127 [0,1,0,0,0,0|1,0,1]=3 144 B6R0.3 C=C(Cl)C(=O)OC SC-97454 [0,1,0,0,0,0|1,0,2]=4 145 B6R0.3 C=C(F)C(=O)OC SC-44271 [0,1,0,0,0,0|1,0,2]=4 146 B6R0.3 C=C(I)[C@H](C)CI SC-68491 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.3 C=CC(C)C(=O)O SC-65769 [0,1,0,0,0,0|1,0,0]=2 148 B6R0.3 C=CC(N)C(=O)O SC-83691 [0,1,0,0,0,0|1,0,1]=3 149 B6R0.3 C=CN(C)C(C)=O SC-24783 [0,1,0,0,0,0|3,0,0]=4 150 B6R0.3 C=C[C@H](N)C(=O)O SC-99216 [0,1,0,0,0,0|1,0,1]=3 151 B6R0.3 CC(=O)C(=O)CBr SC-66140 [0,1,0,0,0,0|1,0,2]=4 152 B6R0.3 CC(Br)C(=O)NN SC-40152 [0,1,0,0,0,0|2,0,0]=3 153 B6R0.3 CC(C#N)C(=O)O SC-65741 [0,1,0,0,0,0|1,0,0]=2 154 B6R0.3 CC(C)C(=N)NO SC-29781 [0,1,0,0,0,0|2,0,0]=3 155 B6R0.3 CC(C)C(=O)CBr SC-21776 [0,1,0,0,0,0|2,0,0]=3 156 B6R0.3 CC(C)C(=O)NN SC-82184 [0,1,0,0,0,0|2,0,0]=3 157 B6R0.3 CC(C)C(=O)O[SiH3] SC-65279 [0,1,0,0,0,0|1,0,0]=2 158 B6R0.3 CC(C)C(O)CN SC-34918 [0,1,0,0,0,0|2,0,1]=4 159 B6R0.3 CC(C)C(O)CN SC-A3273 [0,1,0,0,0,0|2,0,1]=4 160 B6R0.3 CC(C)C(O)CN SC-A3426 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.3 CC(C)[C@@H](N)CO SC-04448 [0,1,0,0,0,0|2,0,1]=4 162 B6R0.3 CC(C)[C@H](N)CO SC-02242 [0,1,0,0,0,0|2,0,1]=4 163 B6R0.3 CC(CBr)C(=O)O SC-53016 [0,1,0,0,0,0|1,0,0]=2 164 B6R0.3 CC(CN)C(=O)O SC-10095 [0,1,0,0,0,0|1,0,0]=2 165 B6R0.3 CC(CN)C(=O)O SC-16443 [0,1,0,0,0,0|1,0,0]=2 166 B6R0.3 CC(Cl)C(=O)NN SC-39740 [0,1,0,0,0,0|2,0,0]=3 167 B6R0.3 CC(O)C(=O)CCl SC-52977 [0,1,0,0,0,0|1,0,0]=2 168 B6R0.3 CCC(=O)C(=O)O SC-48634 [0,1,0,0,0,0|0,0,2]=3 169 B6R0.3 CCC(=O)N(C)C SC-46819 [0,1,0,0,0,0|3,0,0]=4 170 B6R0.3 CCC(C)C(=N)N SC-40567 [0,1,0,0,0,0|3,0,0]=4 171 B6R0.3 CCC(C)C(=O)O SC-22738 [0,1,0,0,0,0|1,0,0]=2 172 B6R0.3 CCC(Cl)C(=O)O SC-96228 [0,1,0,0,0,0|1,0,0]=2 173 B6R0.3 CCC(N)C(=O)O SC-25570 [0,1,0,0,0,0|1,0,0]=2 174 B6R0.3 CCC(N)C(N)=O SC-67619 [0,1,0,0,0,0|2,0,0]=3 175 B6R0.3 CCC(O)C(=N)N SC-41904 [0,1,0,0,0,0|2,0,0]=3 176 B6R0.3 CCC(S)C(=O)O SC-90417 [0,1,0,0,0,0|0,1,0]=2 177 B6R0.3 CCN(C)C(=O)Cl SC-18616 [0,1,0,0,0,0|3,0,0]=4 178 B6R0.3 CCN(C)C(C)=O SC-A3863 [0,1,0,0,0,0|3,0,0]=4 179 B6R0.3 CCN(O)C(C)=O SC-69302 [0,1,0,0,0,0|2,0,0]=3 180 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [0,1,0,0,0,0|1,0,0]=2 181 B6R0.3 CC[C@@H](Cl)C(=O)O SC-52915 [0,1,0,0,0,0|1,0,0]=2 182 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [0,1,0,0,0,0|1,0,0]=2 183 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [0,1,0,0,0,0|0,0,0]=1 184 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [0,1,0,0,0,0|1,0,0]=2 185 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [0,1,0,0,0,0|2,0,0]=3 186 B6R0.3 CC[C@H](O)C(=O)O SC-06416 [0,1,0,0,0,0|0,0,0]=1 187 B6R0.3 CN(C)C(=O)CCl SC-25918 [0,1,0,0,0,0|3,0,0]=4 188 B6R0.3 CN(C)C(=O)CN SC-48680 [0,1,0,0,0,0|3,0,0]=4 189 B6R0.3 CN(N=O)C(N)=O SC-19817 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.3 CNC(=O)[C@H](C)N SC-A4893 [0,1,0,0,0,0|2,0,0]=3 191 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [0,1,0,0,0,0|1,0,0]=2 192 B6R0.3 COC(=O)C(=N)N SC-33258 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.3 COC(=O)C(=O)Cl SC-27409 [0,1,0,0,0,0|1,0,2]=4 194 B6R0.3 COC(=O)C(C)C SC-18496 [0,1,0,0,0,0|1,0,0]=2 195 B6R0.3 COC(=O)C(C)N SC-09296 [0,1,0,0,0,0|1,0,0]=2 196 B6R0.3 COC(=O)C(C)N SC-54087 [0,1,0,0,0,0|1,0,0]=2 197 B6R0.3 COC(=O)C(C)O SC-01713 [0,1,0,0,0,0|0,0,0]=1 198 B6R0.3 COC(=O)[C@@H](C)Cl SC-08899 [0,1,0,0,0,0|1,0,0]=2 199 B6R0.3 COC(=O)[C@H](C)Cl SC-06555 [0,1,0,0,0,0|1,0,0]=2 200 B6R0.3 COC(=O)[C@H](C)N SC-09297 [0,1,0,0,0,0|1,0,0]=2 201 B6R0.3 COC(C)C(=O)O SC-49776 [0,1,0,0,0,0|0,0,0]=1 202 B6R0.3 COC(C)[C@@H](C)N SC-A2593 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.3 CON(C)C(C)=O SC-20924 [0,1,0,0,0,0|2,0,0]=3 204 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [0,1,0,0,0,0|0,0,0]=1 205 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [0,1,0,0,0,0|0,0,0]=1 206 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [0,1,0,0,0,0|1,0,0]=2 207 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [0,1,0,0,0,0|1,0,0]=2 208 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [0,1,0,0,0,0|1,0,0]=2 209 B6R0.3 C[C@H](O)[C@@H](N)CO SC-54023 [0,1,0,0,0,0|1,0,1]=3 210 B6R0.3 N#CC(N)C(N)=O SC-12334 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.3 NC(=O)C(N)CO SC-53653 [0,1,0,0,0,0|2,0,0]=3 212 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [0,1,0,0,0,0|2,0,0]=3 213 B6R0.3 NC(CO)C(=O)O SC-09828 [0,1,0,0,0,0|1,0,0]=2 214 B6R0.3 NC(CS)C(=O)O SC-09428 [0,1,0,0,0,0|1,0,0]=2 215 B6R0.3 NCC(N)C(=O)O SC-12518 [0,1,0,0,0,0|1,0,0]=2 216 B6R0.3 NCC(O)C(=O)O SC-10335 [0,1,0,0,0,0|0,0,0]=1 217 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [0,1,0,0,0,0|1,0,0]=2 218 B6R0.3 NC[C@@H](O)C(=O)O SC-17253 [0,1,0,0,0,0|0,0,0]=1 219 B6R0.3 NC[C@H](N)C(=O)O SC-10204 [0,1,0,0,0,0|1,0,0]=2 220 B6R0.3 N[C@@H](CCl)C(=O)O SC-21241 [0,1,0,0,0,0|1,0,0]=2 221 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [0,1,0,0,0,0|1,0,0]=2 222 B6R0.3 N[C@@H](CS)C(=O)O SC-09426 [0,1,0,0,0,0|1,0,0]=2 223 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [0,1,0,0,0,0|1,0,0]=2 224 B6R0.3 O=C(CCl)C(Cl)Cl SC-22403 [0,1,0,0,0,0|3,0,0]=4 225 B6R0.3 O=C(O)C(=O)CBr SC-15238 [0,1,0,0,0,0|0,0,2]=3 226 B6R0.3 O=C(O)C(O)CCl SC-83865 [0,1,0,0,0,0|0,0,0]=1 227 B6R0.3 O=C(O)C(O)CO SC-94999 [0,1,0,0,0,0|0,0,0]=1 228 B6R0.3 O=C(O)[C@@H](O)CCl SC-86856 [0,1,0,0,0,0|0,0,0]=1 229 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [0,1,0,0,0,0|2,0,0]=3 230 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [0,1,0,0,0,0|1,0,0]=2 231 B6R0.7 CC(=O)C(C)(C)Br SC-94430 [0,1,0,0,0,0|2,0,0]=3 232 B6R0.7 CC(=O)C(C)(C)O SC-68565 [0,1,0,0,0,0|1,0,0]=2 233 B6R0.7 CC(C)(Br)C(=O)O SC-76089 [0,1,0,0,0,0|1,0,0]=2 234 B6R0.7 CC(C)(Br)C(N)=O SC-97499 [0,1,0,0,0,0|2,0,0]=3 235 B6R0.7 CC(C)(C)C(=N)N SC-22034 [0,1,0,0,0,0|3,0,0]=4 236 B6R0.7 CC(C)(C)C(=N)N SC-40395 [0,1,0,0,0,0|3,0,0]=4 237 B6R0.7 CC(C)(C)C(=O)[O-] SC-91732 [0,1,0,0,0,0|1,0,1]=3 238 B6R0.7 CC(C)(C)C(=O)[O-] SC-A5883 [0,1,0,0,0,0|1,0,1]=3 239 B6R0.7 CC(C)(C)C(N)=O SC-68560 [0,1,0,0,0,0|2,0,0]=3 240 B6R0.7 CC(C)(C)C(N)=S SC-14578 [0,1,0,0,0,0|2,1,0]=4 241 B6R0.7 CC(C)(C)S(=O)Cl SC-81900 [0,1,0,0,0,0|3,0,0]=4 242 B6R0.7 CC(C)(C)S(N)=O SC-01163 [0,1,0,0,0,0|3,0,0]=4 243 B6R0.7 CC(C)(C)[S@@](N)=O SC-03634 [0,1,0,0,0,0|3,0,0]=4 244 B6R0.7 CC(C)(C)[S@](N)=O SC-02142 [0,1,0,0,0,0|3,0,0]=4 245 B6R0.7 CC(C)(Cl)C(=O)Cl SC-72836 [0,1,0,0,0,0|2,0,0]=3 246 B6R0.7 CC(C)(F)C(=O)O SC-70278 [0,1,0,0,0,0|1,0,0]=2 247 B6R0.7 CC(C)(N)C(=O)O SC-25938 [0,1,0,0,0,0|1,0,0]=2 248 B6R0.7 CC(C)(N)C(N)=O SC-43988 [0,1,0,0,0,0|2,0,0]=3 249 B6R0.7 CC(C)(O)C(=N)N SC-40716 [0,1,0,0,0,0|2,0,0]=3 250 B6R0.7 CC(C)(O)C(=O)[O-] SC-08910 [0,1,0,0,0,0|0,0,1]=2 251 B6R0.7 CC(C)S(=O)(=O)Cl SC-48592 [0,1,0,0,0,0|2,0,1]=4 252 B6R0.7 CC(C)S(N)(=O)=O SC-33161 [0,1,0,0,0,0|2,0,1]=4 253 B6R0.7 CC(F)(F)C(=O)O SC-91857 [0,1,0,0,0,0|1,0,0]=2 254 B6R0.7 CC(O)C(F)(F)F SC-15556 [0,1,0,0,0,0|2,0,1]=4 255 B6R0.7 O=C(Br)C(F)(F)Br SC-45897 [0,1,0,0,0,0|3,0,0]=4 256 B6R0.7 O=C(Cl)C(Cl)(Cl)Cl SC-25558 [0,1,0,0,0,0|3,0,0]=4 257 B6R0.7 O=C(O)C(F)(F)Br SC-16754 [0,1,0,0,0,0|2,0,0]=3 258 B6R0.7 O=C(O)C(F)(F)Cl SC-17398 [0,1,0,0,0,0|2,0,0]=3 259 B6R0.7 O=C(O)C(F)(F)F SC-18253 [0,1,0,0,0,0|2,0,0]=3 260 B6R0.7 O=C([O-])C(F)(F)Br SC-92598 [0,1,0,0,0,0|2,0,1]=4 261 B6R0.7 O=C([O-])C(F)(F)Br SC-93972 [0,1,0,0,0,0|2,0,1]=4 262 B6R0.7 O=C([O-])C(F)(F)Cl SC-18819 [0,1,0,0,0,0|2,0,1]=4 263 B6R0.7 O=C([O-])C(F)(F)F SC-26353 [0,1,0,0,0,0|2,0,1]=4 264 B6R0.7 O=C([O-])C(F)(F)F SC-54376 [0,1,0,0,0,0|2,0,1]=4 265 B6R0.7 O=C([O-])C(F)(F)F SC-71416 [0,1,0,0,0,0|2,0,1]=4 266 B6R0.7 O=C([O-])C(F)(F)F SC-80717 [0,1,0,0,0,0|2,0,1]=4 267 B6R0.7 O=C([O-])C(F)(F)F SC-83366 [0,1,0,0,0,0|2,0,1]=4 268 B6R0.7 O=C([O-])C(F)(F)F SC-A4342 [0,1,0,0,0,0|2,0,1]=4 269 B6R0.7 [2H]C(=O)C([2H])([2H])[2H] SC-51082 [0,1,0,0,0,0|3,0,0]=4 270 B6R1.11 CC(=O)C1CO1 SC-70647 [0,0,0,1,0,0|1,0,0]=2 271 B6R1.11 CC(=S)C1CC1 SC-42755 [0,0,0,1,0,0|2,1,0]=4 272 B6R1.11 CC(C)C1CO1 SC-72443 [0,0,0,1,0,0|2,0,1]=4 273 B6R1.11 CC(O)C1CC1 SC-19615 [0,0,0,1,0,0|2,0,1]=4 274 B6R1.11 N=C(N)C1CC1 SC-12465 [0,0,0,1,0,0|3,0,0]=4 275 B6R1.11 NC(=O)C1CC1 SC-92415 [0,0,0,1,0,0|2,0,0]=3 276 B6R1.11 O=C(Cl)C1CC1 SC-19263 [0,0,0,1,0,0|2,0,0]=3 277 B6R1.11 O=C(O)C1CC1 SC-22620 [0,0,0,1,0,0|1,0,0]=2 278 B6R1.11 O=C(O)C1CO1 SC-83949 [0,0,0,1,0,0|0,0,0]=1 279 B6R1.11 O=C(O)C1CS1 SC-70775 [0,0,0,1,0,0|0,1,0]=2 280 B6R1.11 O=S([O-])C1CC1 SC-47482 [0,0,0,1,0,0|2,0,1]=4 281 B6R1.11 OB(O)C1CC1 SC-04359 [0,0,0,1,0,0|2,0,1]=4 282 B6R0.2 C=C(C)CC(=O)O SC-31698 [0,0,0,0,0,1|1,0,1]=3 283 B6R0.2 CC(=O)CC(=O)O SC-69749 [0,0,0,0,0,1|0,0,2]=3 284 B6R0.2 CC(=O)CC(C)=O SC-68118 [0,0,0,0,0,1|1,0,2]=4 285 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,0,0,0,0,1|1,0,2]=4 286 B6R0.2 CC(=O)NC(C)C SC-A3057 [0,0,0,0,0,1|2,0,0]=3 287 B6R0.2 CC(=O)NC(N)=O SC-87858 [0,0,0,0,0,1|1,0,2]=4 288 B6R0.2 CC(=O)[CH-]C(C)=O SC-19438 [0,0,0,0,0,1|1,0,2]=4 289 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [0,0,0,0,0,1|2,0,1]=4 290 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [0,0,0,0,0,1|1,0,1]=3 291 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [0,0,0,0,0,1|1,0,1]=3 292 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [0,0,0,0,0,1|2,0,1]=4 293 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,0,0,0,0,1|1,0,1]=3 294 B6R0.2 CC(C)CB(O)O SC-06923 [0,0,0,0,0,1|2,0,1]=4 295 B6R0.2 CC(C)CC(=N)N SC-40541 [0,0,0,0,0,1|3,0,0]=4 296 B6R0.2 CC(C)OC(=O)Cl SC-26628 [0,0,0,0,0,1|2,0,0]=3 297 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [0,0,0,0,0,1|2,0,0]=3 298 B6R0.2 CC(O)CC(=O)[O-] SC-85388 [0,0,0,0,0,1|0,0,1]=2 299 B6R0.2 CN(C)CC(=O)Cl SC-48853 [0,0,0,0,0,1|3,0,0]=4 300 B6R0.2 CN(C)CC(=O)O SC-09555 [0,0,0,0,0,1|2,0,0]=3 301 B6R0.2 CN(C)CC(=O)O SC-51828 [0,0,0,0,0,1|2,0,0]=3 302 B6R0.2 CN(C)CC(N)=O SC-89197 [0,0,0,0,0,1|3,0,0]=4 303 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [0,0,0,0,0,1|1,0,0]=2 304 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [0,0,0,0,0,1|1,0,0]=2 305 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [0,0,0,0,0,1|1,0,0]=2 306 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,0,0,0,0,1|0,0,0]=1 307 B6R0.2 C[C@H](O)C[C@H](C)O SC-06528 [0,0,0,0,0,1|1,0,1]=3 308 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,0,0,0,0,1|2,0,1]=4 309 B6R0.2 O=C(O)CC(=O)O SC-77641 [0,0,0,0,0,1|1,0,1]=3 310 B3R0.1 C#CC=O SC-84418 [2,0,0,0,0,0|0,0,2]=4 311 B3R0.1 C=CCI SC-66060 [2,0,0,0,0,0|2,0,0]=4 312 B3R0.1 C=CCN SC-13610 [2,0,0,0,0,0|2,0,0]=4 313 B3R0.1 C=CCN SC-20038 [2,0,0,0,0,0|2,0,0]=4 314 B3R0.1 C=C[CH-]C SC-90438 [2,0,0,0,0,0|1,0,1]=4 315 B3R0.1 CCNN SC-47438 [2,0,0,0,0,0|2,0,0]=4 316 B3R0.1 CCNN SC-88458 [2,0,0,0,0,0|2,0,0]=4 317 B3R0.1 CCNN SC-A4376 [2,0,0,0,0,0|2,0,0]=4 318 B3R0.1 CCO[NH3+] SC-76549 [2,0,0,0,0,0|2,0,0]=4 319 B3R0.1 C\C=C\Br SC-50117 [2,0,0,0,0,0|1,0,1]=4 320 B3R0.1 NNC=O SC-22540 [2,0,0,0,0,0|2,0,0]=4 321 B3R0.1 OCCBr SC-26949 [2,0,0,0,0,0|1,0,1]=4 322 B3R0.1 OCCF SC-22570 [2,0,0,0,0,0|1,0,1]=4 323 B3R0.1 OCCI SC-46883 [2,0,0,0,0,0|1,0,1]=4 324 B3R0.1 OCCO SC-A3578 [2,0,0,0,0,0|0,0,1]=3 325 B3R0.1 [Li]CCC SC-50170 [2,0,0,0,0,0|1,0,1]=4 326 B3R0.2 C=C(C)Br SC-25629 [2,0,0,0,0,0|1,0,1]=4 327 B3R0.2 CB(O)O SC-00749 [2,0,0,0,0,0|1,0,0]=3 328 B3R0.2 CB(O)O SC-73705 [2,0,0,0,0,0|1,0,0]=3 329 B3R0.2 CC(=N)N SC-19002 [2,0,0,0,0,0|2,0,0]=4 330 B3R0.2 CC(=N)N SC-38586 [2,0,0,0,0,0|2,0,0]=4 331 B3R0.2 CC(=O)O SC-16774 [2,0,0,0,0,0|0,0,0]=2 332 B3R0.2 CC(=O)O SC-18360 [2,0,0,0,0,0|0,0,0]=2 333 B3R0.2 CC(=O)O SC-27909 [2,0,0,0,0,0|0,0,0]=2 334 B3R0.2 CC(=O)[O-] SC-03583 [2,0,0,0,0,0|0,0,1]=3 335 B3R0.2 CC(=O)[O-] SC-12688 [2,0,0,0,0,0|0,0,1]=3 336 B3R0.2 CC(=O)[O-] SC-18482 [2,0,0,0,0,0|0,0,1]=3 337 B3R0.2 CC(=O)[O-] SC-18918 [2,0,0,0,0,0|0,0,1]=3 338 B3R0.2 CC(=O)[O-] SC-25242 [2,0,0,0,0,0|0,0,1]=3 339 B3R0.2 CC(=O)[O-] SC-26584 [2,0,0,0,0,0|0,0,1]=3 340 B3R0.2 CC(=O)[O-] SC-27311 [2,0,0,0,0,0|0,0,1]=3 341 B3R0.2 CC(=O)[O-] SC-46842 [2,0,0,0,0,0|0,0,1]=3 342 B3R0.2 CC(=O)[O-] SC-81149 [2,0,0,0,0,0|0,0,1]=3 343 B3R0.2 CC(=O)[O-] SC-81401 [2,0,0,0,0,0|0,0,1]=3 344 B3R0.2 CC(=O)[O-] SC-93306 [2,0,0,0,0,0|0,0,1]=3 345 B3R0.2 CC(=S)S SC-49352 [2,0,0,0,0,0|0,2,0]=4 346 B3R0.2 CC(C)=O SC-20986 [2,0,0,0,0,0|1,0,0]=3 347 B3R0.2 CC(C)[Mg+] SC-53842 [2,0,0,0,0,0|1,0,1]=4 348 B3R0.2 CC(C)[O-] SC-15122 [2,0,0,0,0,0|0,0,2]=4 349 B3R0.2 CC(C)[O-] SC-25162 [2,0,0,0,0,0|0,0,2]=4 350 B3R0.2 CC(C)[O-] SC-43831 [2,0,0,0,0,0|0,0,2]=4 351 B3R0.2 CC(C)[O-] SC-94197 [2,0,0,0,0,0|0,0,2]=4 352 B3R0.2 CC(N)=O SC-18410 [2,0,0,0,0,0|1,0,0]=3 353 B3R0.2 CS(=O)[O-] SC-19511 [2,0,0,0,0,0|1,0,1]=4 354 B3R0.2 C[PH](C)=O SC-72909 [2,0,0,0,0,0|2,0,0]=4 355 B3R0.2 NC(N)=O SC-75453 [2,0,0,0,0,0|2,0,0]=4 356 B3R0.2 NC(N)=O SC-81784 [2,0,0,0,0,0|2,0,0]=4 357 B3R0.2 O=C(O)O SC-18529 [2,0,0,0,0,0|0,0,0]=2 358 B3R0.2 O=C([O-])O SC-19122 [2,0,0,0,0,0|0,0,1]=3 359 B3R0.2 O=C([O-])O SC-80213 [2,0,0,0,0,0|0,0,1]=3 360 B3R0.2 O=C([O-])[O-] SC-18528 [2,0,0,0,0,0|0,0,2]=4 361 B3R0.2 O=C([O-])[O-] SC-19443 [2,0,0,0,0,0|0,0,2]=4 362 B3R0.2 O=C([O-])[O-] SC-22160 [2,0,0,0,0,0|0,0,2]=4 363 B3R0.2 O=C([O-])[O-] SC-50862 [2,0,0,0,0,0|0,0,2]=4 364 B3R0.2 O=C([O-])[O-] SC-81206 [2,0,0,0,0,0|0,0,2]=4 365 B3R0.2 O=C([O-])[O-] SC-81240 [2,0,0,0,0,0|0,0,2]=4 366 B3R0.2 O=C([O-])[O-] SC-97647 [2,0,0,0,0,0|0,0,2]=4 367 B3R0.2 O=I(=O)O SC-77586 [2,0,0,0,0,0|1,0,1]=4 368 B3R0.2 OB(O)O SC-65217 [2,0,0,0,0,0|1,0,1]=4 369 B5R0.1 C#CCC(=O)O SC-40344 [1,1,0,0,0,0|0,0,1]=3 370 B5R0.1 C=C(C)CCBr SC-26305 [1,1,0,0,0,0|2,0,0]=4 371 B5R0.1 C=C(C)CCI SC-35692 [1,1,0,0,0,0|2,0,0]=4 372 B5R0.1 C=C(C)CCO SC-28771 [1,1,0,0,0,0|2,0,0]=4 373 B5R0.1 C=CCC(=O)O SC-49093 [1,1,0,0,0,0|0,0,1]=3 374 B5R0.1 C=CCC(C)O SC-49226 [1,1,0,0,0,0|1,0,0]=3 375 B5R0.1 C=CC[C@H](C)O SC-70432 [1,1,0,0,0,0|1,0,0]=3 376 B5R0.1 CC#CC(=O)O SC-76460 [1,1,0,0,0,0|0,0,1]=3 377 B5R0.1 CC(=O)C=C=O SC-76855 [1,1,0,0,0,0|0,0,2]=4 378 B5R0.1 CC(=O)CC#N SC-26510 [1,1,0,0,0,0|1,0,1]=4 379 B5R0.1 CC(=O)CCCl SC-21586 [1,1,0,0,0,0|1,0,0]=3 380 B5R0.1 CC(=O)CCO SC-65678 [1,1,0,0,0,0|1,0,0]=3 381 B5R0.1 CC(=O)NCO SC-19774 [1,1,0,0,0,0|1,0,0]=3 382 B5R0.1 CC(=O)OCBr SC-44237 [1,1,0,0,0,0|2,0,0]=4 383 B5R0.1 CC(=O)OCCl SC-47539 [1,1,0,0,0,0|2,0,0]=4 384 B5R0.1 CC(=O)\C=N/O SC-89466 [1,1,0,0,0,0|0,0,2]=4 385 B5R0.1 CC(=O)\C=N\O SC-51367 [1,1,0,0,0,0|0,0,2]=4 386 B5R0.1 CC(=O)\C=N\O SC-68143 [1,1,0,0,0,0|0,0,2]=4 387 B5R0.1 CC(C)=CC=O SC-00290 [1,1,0,0,0,0|1,0,1]=4 388 B5R0.1 CC(C)N=C=O SC-22633 [1,1,0,0,0,0|1,0,1]=4 389 B5R0.1 CC(N)CCO SC-82589 [1,1,0,0,0,0|1,0,1]=4 390 B5R0.1 CCCB(O)O SC-47544 [1,1,0,0,0,0|1,0,1]=4 391 B5R0.1 CCCC(=N)N SC-19347 [1,1,0,0,0,0|2,0,0]=4 392 B5R0.1 CCCC(=O)[O-] SC-15718 [1,1,0,0,0,0|0,0,1]=3 393 B5R0.1 CCCC(C)O SC-03320 [1,1,0,0,0,0|1,0,1]=4 394 B5R0.1 CCN=C(N)N SC-15057 [1,1,0,0,0,0|2,0,0]=4 395 B5R0.1 CCOC(C)=N SC-02547 [1,1,0,0,0,0|2,0,0]=4 396 B5R0.1 CCOC(C)=N SC-A3540 [1,1,0,0,0,0|2,0,0]=4 397 B5R0.1 CCSC(=N)N SC-20585 [1,1,0,0,0,0|2,0,0]=4 398 B5R0.1 CCSC(=N)N SC-53442 [1,1,0,0,0,0|2,0,0]=4 399 B5R0.1 CCSC(=N)N SC-A3995 [1,1,0,0,0,0|2,0,0]=4 400 B5R0.1 CN(C)CC=O SC-51643 [1,1,0,0,0,0|2,0,0]=4 401 B5R0.1 CN(C)CC=O SC-88142 [1,1,0,0,0,0|2,0,0]=4 402 B5R0.1 CNCC(N)=O SC-10429 [1,1,0,0,0,0|1,0,0]=3 403 B5R0.1 COCC(=N)N SC-41213 [1,1,0,0,0,0|2,0,0]=4 404 B5R0.1 COCC(=N)N SC-73218 [1,1,0,0,0,0|2,0,0]=4 405 B5R0.1 COCC(=O)Cl SC-27381 [1,1,0,0,0,0|1,0,0]=3 406 B5R0.1 COCC(C)=S SC-42217 [1,1,0,0,0,0|1,1,0]=4 407 B5R0.1 COCC(C)N SC-48787 [1,1,0,0,0,0|1,0,1]=4 408 B5R0.1 COC[C@@H](C)N SC-47724 [1,1,0,0,0,0|1,0,1]=4 409 B5R0.1 COC[C@@H](C)O SC-04836 [1,1,0,0,0,0|0,0,1]=3 410 B5R0.1 COC[C@H](C)N SC-51779 [1,1,0,0,0,0|1,0,1]=4 411 B5R0.1 CS(=O)CCN SC-89327 [1,1,0,0,0,0|2,0,0]=4 412 B5R0.1 CSCC(=N)N SC-59669 [1,1,0,0,0,0|2,0,0]=4 413 B5R0.1 CSCC(N)=O SC-27108 [1,1,0,0,0,0|1,0,0]=3 414 B5R0.1 CSCS(C)=O SC-87090 [1,1,0,0,0,0|2,0,0]=4 415 B5R0.1 CSNC(C)=O SC-28667 [1,1,0,0,0,0|2,0,0]=4 416 B5R0.1 C[C@@H](N)CCO SC-48293 [1,1,0,0,0,0|1,0,1]=4 417 B5R0.1 C[C@@H](O)CCO SC-05919 [1,1,0,0,0,0|0,0,1]=3 418 B5R0.1 C[C@H](N)CCO SC-88699 [1,1,0,0,0,0|1,0,1]=4 419 B5R0.1 C[C@H](O)CCO SC-02840 [1,1,0,0,0,0|0,0,1]=3 420 B5R0.1 C\C=C/C(C)=O SC-48085 [1,1,0,0,0,0|1,0,1]=4 421 B5R0.1 C\C=C\C(=O)Cl SC-16256 [1,1,0,0,0,0|1,0,1]=4 422 B5R0.1 C\C=C\C(=O)O SC-25924 [1,1,0,0,0,0|0,0,1]=3 423 B5R0.1 N#CCC(N)=O SC-26759 [1,1,0,0,0,0|1,0,1]=4 424 B5R0.1 N=C(N)CCBr SC-59651 [1,1,0,0,0,0|2,0,0]=4 425 B5R0.1 N=C(N)CCCl SC-54448 [1,1,0,0,0,0|2,0,0]=4 426 B5R0.1 N=C(N)CCCl SC-58529 [1,1,0,0,0,0|2,0,0]=4 427 B5R0.1 N=C(N)CCN SC-69825 [1,1,0,0,0,0|2,0,0]=4 428 B5R0.1 NCCC(N)=O SC-48688 [1,1,0,0,0,0|1,0,0]=3 429 B5R0.1 NCCC(N)=O SC-84499 [1,1,0,0,0,0|1,0,0]=3 430 B5R0.1 O=C(Cl)CCCl SC-16310 [1,1,0,0,0,0|1,0,0]=3 431 B5R0.1 O=C(O)CCF SC-53145 [1,1,0,0,0,0|0,0,0]=2 432 B5R0.1 O=C(O)CCS SC-22642 [1,1,0,0,0,0|0,0,0]=2 433 B5R0.1 O=[N+]([O-])CCO SC-22550 [1,1,0,0,0,0|1,0,1]=4 434 B5R0.3 C#CC(=O)OC SC-27849 [1,1,0,0,0,0|0,0,2]=4 435 B5R0.3 C#CC(O)CC SC-68723 [1,1,0,0,0,0|1,0,1]=4 436 B5R0.3 C=C(CO)CO SC-17984 [1,1,0,0,0,0|1,0,0]=3 437 B5R0.3 C=CC(Cl)CCl SC-A3373 [1,1,0,0,0,0|2,0,0]=4 438 B5R0.3 C=CC(O)C=C SC-20854 [1,1,0,0,0,0|1,0,1]=4 439 B5R0.3 C=CC(O)CBr SC-69913 [1,1,0,0,0,0|1,0,0]=3 440 B5R0.3 C=CC(O)CC SC-93539 [1,1,0,0,0,0|1,0,0]=3 441 B5R0.3 C=C[C@H](N)CO SC-88199 [1,1,0,0,0,0|2,0,0]=4 442 B5R0.3 CC(CO)CBr SC-35572 [1,1,0,0,0,0|1,0,1]=4 443 B5R0.3 CC(CO)CO SC-20510 [1,1,0,0,0,0|0,0,1]=3 444 B5R0.3 CCC(=O)CN SC-94912 [1,1,0,0,0,0|1,0,0]=3 445 B5R0.3 CCC(=O)NN SC-25039 [1,1,0,0,0,0|1,0,0]=3 446 B5R0.3 CCC(C)CO SC-08990 [1,1,0,0,0,0|1,0,1]=4 447 B5R0.3 CCC(N)CO SC-21072 [1,1,0,0,0,0|1,0,1]=4 448 B5R0.3 CCC(O)CC SC-62307 [1,1,0,0,0,0|1,0,1]=4 449 B5R0.3 CCC(O)CN SC-40219 [1,1,0,0,0,0|1,0,1]=4 450 B5R0.3 CCC(O)OC SC-25588 [1,1,0,0,0,0|0,0,2]=4 451 B5R0.3 CC[C@@H](N)CO SC-08957 [1,1,0,0,0,0|1,0,1]=4 452 B5R0.3 CC[PH](=O)CC SC-96905 [1,1,0,0,0,0|2,0,0]=4 453 B5R0.3 CNC(=O)CBr SC-27946 [1,1,0,0,0,0|2,0,0]=4 454 B5R0.3 CNC(=O)CCl SC-27694 [1,1,0,0,0,0|2,0,0]=4 455 B5R0.3 CNC(=O)CN SC-47802 [1,1,0,0,0,0|2,0,0]=4 456 B5R0.3 CNC(=O)CO SC-48574 [1,1,0,0,0,0|1,0,0]=3 457 B5R0.3 COC(=O)C#N SC-49091 [1,1,0,0,0,0|1,0,1]=4 458 B5R0.3 COC(=O)CN SC-09571 [1,1,0,0,0,0|1,0,0]=3 459 B5R0.3 COC(=O)CN SC-49390 [1,1,0,0,0,0|1,0,0]=3 460 B5R0.3 COC(=O)CO SC-28291 [1,1,0,0,0,0|0,0,0]=2 461 B5R0.3 COC(=O)CS SC-54102 [1,1,0,0,0,0|0,1,0]=3 462 B5R0.3 COC(=O)NN SC-16058 [1,1,0,0,0,0|2,0,0]=4 463 B5R0.3 COC(=S)SC SC-A5822 [1,1,0,0,0,0|1,1,0]=4 464 B5R0.3 COC(C)CN SC-A4864 [1,1,0,0,0,0|1,0,1]=4 465 B5R0.3 COC(C)CO SC-97662 [1,1,0,0,0,0|0,0,1]=3 466 B5R0.3 COS(=O)OC SC-25522 [1,1,0,0,0,0|2,0,0]=4 467 B5R0.3 CO[C@H](C)CO SC-71357 [1,1,0,0,0,0|0,0,1]=3 468 B5R0.3 C[C@@H](CO)CBr SC-82168 [1,1,0,0,0,0|1,0,1]=4 469 B5R0.3 NCC(O)CO SC-15511 [1,1,0,0,0,0|0,0,1]=3 470 B5R0.3 NC[C@@H](O)CO SC-06146 [1,1,0,0,0,0|0,0,1]=3 471 B5R0.3 NC[C@H](O)CCl SC-89081 [1,1,0,0,0,0|1,0,1]=4 472 B5R0.3 NC[C@H](O)CO SC-45873 [1,1,0,0,0,0|0,0,1]=3 473 B5R0.3 NNC(=O)CO SC-83204 [1,1,0,0,0,0|1,0,0]=3 474 B5R0.3 N\C(CCl)=N/O SC-51461 [1,1,0,0,0,0|2,0,0]=4 475 B5R0.3 N\C(CO)=N\O SC-29594 [1,1,0,0,0,0|1,0,0]=3 476 B5R0.3 O=C(CBr)CBr SC-99341 [1,1,0,0,0,0|2,0,0]=4 477 B5R0.3 O=C(CO)CO SC-07450 [1,1,0,0,0,0|0,0,0]=2 478 B5R0.3 O=CC(Br)C=O SC-24696 [1,1,0,0,0,0|1,0,1]=4 479 B5R0.3 O=CC(Cl)C=O SC-43728 [1,1,0,0,0,0|1,0,1]=4 480 B5R0.3 O=CC(O)CO SC-54496 [1,1,0,0,0,0|0,0,0]=2 481 B5R0.3 [C@H](N)(CC)CO SC-08958 [1,1,0,0,0,0|1,0,1]=4 482 B5R0.3 [C@H](O)(CN)CO SC-05739 [1,1,0,0,0,0|0,0,1]=3 483 B5R0.4 C#CC(C)(C)O SC-26729 [1,1,0,0,0,0|1,0,1]=4 484 B5R0.4 C=CC(C)(C)N SC-36956 [1,1,0,0,0,0|2,0,0]=4 485 B5R0.4 CC(C)(C)C=O SC-05938 [1,1,0,0,0,0|1,0,0]=3 486 B5R0.4 CC(C)(C)CO SC-27689 [1,1,0,0,0,0|1,0,1]=4 487 B5R0.4 CC(C)(C)NO SC-44932 [1,1,0,0,0,0|2,0,0]=4 488 B5R0.4 CC(C)(F)CO SC-14344 [1,1,0,0,0,0|1,0,1]=4 489 B5R0.4 CC(C)(N)CO SC-00654 [1,1,0,0,0,0|1,0,1]=4 490 B5R0.4 CC(C)(O)CBr SC-69889 [1,1,0,0,0,0|1,0,1]=4 491 B5R0.4 CC(C)(O)CCl SC-05342 [1,1,0,0,0,0|1,0,1]=4 492 B5R0.4 CC(C)(O)CN SC-14245 [1,1,0,0,0,0|1,0,1]=4 493 B5R0.4 CC(C)(O)CO SC-93601 [1,1,0,0,0,0|0,0,1]=3 494 B5R0.4 CC(F)(F)CO SC-21322 [1,1,0,0,0,0|1,0,1]=4 495 B5R0.4 CCC(C)(C)O SC-62305 [1,1,0,0,0,0|1,0,1]=4 496 B5R0.4 CCS(=O)(=O)Cl SC-25371 [1,1,0,0,0,0|1,0,1]=4 497 B5R0.4 CCS(N)(=O)=O SC-18888 [1,1,0,0,0,0|1,0,1]=4 498 B5R0.4 NCP(=O)(O)O SC-86885 [1,1,0,0,0,0|2,0,0]=4 499 B5R0.4 O=CC(F)(F)F SC-13064 [1,1,0,0,0,0|2,0,0]=4 500 B5R0.4 O=CC(F)(F)F SC-13065 [1,1,0,0,0,0|2,0,0]=4 501 B5R0.4 O=CC(F)(F)F SC-50081 [1,1,0,0,0,0|2,0,0]=4 502 B5R0.4 O=S(=O)(O)CCl SC-51685 [1,1,0,0,0,0|2,0,0]=4 503 B7R0.2 C=CC(=O)NC(C)C SC-47047 [0,1,0,0,0,1|2,0,0]=4 504 B7R0.2 CC(=O)OC(Br)CBr SC-14499 [0,1,0,0,0,1|2,0,0]=4 505 B7R0.2 CC(C)C\C(N)=N/O SC-56230 [0,1,0,0,0,1|2,0,0]=4 506 B7R0.2 CC(C)NC(=O)CBr SC-02491 [0,1,0,0,0,1|2,0,0]=4 507 B7R0.2 CCC(C)OC(=O)Cl SC-69084 [0,1,0,0,0,1|2,0,0]=4 508 B7R0.2 CCC(N)CC(=O)O SC-59260 [0,1,0,0,0,1|1,0,0]=3 509 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,1,0,0,0,1|1,0,0]=3 510 B7R0.2 CCC(O)CC(C)O SC-95923 [0,1,0,0,0,1|1,0,1]=4 511 B7R0.2 COC(=O)CC(=O)O SC-21351 [0,1,0,0,0,1|0,0,2]=4 512 B7R0.2 COC(=O)CC(C)Br SC-67097 [0,1,0,0,0,1|1,0,0]=3 513 B7R0.2 COC(=O)C[C@@H](C)N SC-88822 [0,1,0,0,0,1|1,0,0]=3 514 B7R0.2 COC(=O)C[C@@H](C)N SC-A1096 [0,1,0,0,0,1|1,0,0]=3 515 B7R0.2 COC(=O)C[C@@H](C)O SC-08902 [0,1,0,0,0,1|0,0,0]=2 516 B7R0.2 NCC(O)CC(=O)O SC-50844 [0,1,0,0,0,1|0,0,0]=2 517 B7R0.2 NC[C@@H](O)CC(=O)O SC-04302 [0,1,0,0,0,1|0,0,0]=2 518 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [0,1,0,0,0,1|1,0,0]=3 519 B7R0.9 CC(=O)CC(C)(C)S SC-82919 [0,1,0,0,0,1|1,1,0]=4 520 B7R0.9 CC(C)(C)OC(N)=O SC-44399 [0,1,0,0,0,1|2,0,0]=4 521 B7R0.9 CC(C)(N)CC(=O)O SC-43668 [0,1,0,0,0,1|1,0,0]=3 522 B7R0.9 CC(C)(O)CC(=N)N SC-13198 [0,1,0,0,0,1|2,0,0]=4 523 B7R0.9 CC(C)(O)CC(=O)[O-] SC-17999 [0,1,0,0,0,1|0,0,1]=3 524 B7R0.9 CS(=O)(=O)CC(=O)O SC-23267 [0,1,0,0,0,1|1,0,1]=4 525 B7R0.9 C[N+](C)(C)CC(=O)O SC-27478 [0,1,0,0,0,1|2,0,0]=4 526 B7R0.9 O=C(O)CC(F)(F)F SC-19589 [0,1,0,0,0,1|2,0,0]=4 527 B7R0.9 O=C(O)CP(=O)(O)O SC-48625 [0,1,0,0,0,1|2,0,0]=4 528 B7R0.16 CC(C(=O)O)C(=O)O SC-16059 [0,1,0,0,0,1|1,0,1]=4 529 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [0,1,0,0,0,1|1,0,0]=3 530 B7R0.16 CC(C)C(=O)C(=O)[O-] SC-13686 [0,1,0,0,0,1|1,0,1]=4 531 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,1,0,0,0,1|1,0,0]=3 532 B7R0.16 CC(C)C(O)C(=O)O SC-08874 [0,1,0,0,0,1|1,0,0]=3 533 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,1,0,0,0,1|1,0,0]=3 534 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,1,0,0,0,1|1,0,0]=3 535 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,1,0,0,0,1|2,0,0]=4 536 B7R0.16 CC(N)C(N)C(=O)O SC-10139 [0,1,0,0,0,1|1,0,0]=3 537 B7R0.16 CC(O)C(C)[N+](=O)[O-] SC-18769 [0,1,0,0,0,1|1,0,1]=4 538 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,1,0,0,0,1|0,0,0]=2 539 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,1,0,0,0,1|0,0,0]=2 540 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,1,0,0,0,1|0,0,0]=2 541 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O SC-09895 [0,1,0,0,0,1|1,0,0]=3 542 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,1,0,0,0,1|0,0,0]=2 543 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,1,0,0,0,1|0,0,0]=2 544 B7R0.16 [C@@H](Cl)(C(=O)O)C(C)C SC-03021 [0,1,0,0,0,1|1,0,0]=3 545 B7R0.5 C#CCC(N)C(=O)O SC-70414 [0,2,0,0,0,0|1,0,0]=3 546 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [0,2,0,0,0,0|1,0,0]=3 547 B7R0.5 C=CCC(N)C(=O)O SC-10031 [0,2,0,0,0,0|1,0,0]=3 548 B7R0.5 C=CCC(N)C(=O)O SC-10032 [0,2,0,0,0,0|1,0,0]=3 549 B7R0.5 C=CCC(N)C(=O)O SC-14116 [0,2,0,0,0,0|1,0,0]=3 550 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [0,2,0,0,0,0|1,0,0]=3 551 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [0,2,0,0,0,0|1,0,0]=3 552 B7R0.5 CC(C)C(=O)CC#N SC-26894 [0,2,0,0,0,0|2,0,0]=4 553 B7R0.5 CC(C)C(=O)OCCl SC-92989 [0,2,0,0,0,0|1,0,0]=3 554 B7R0.5 CCCC(Br)C(=O)O SC-27020 [0,2,0,0,0,0|1,0,0]=3 555 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [0,2,0,0,0,0|1,0,0]=3 556 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [0,2,0,0,0,0|1,0,0]=3 557 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [0,2,0,0,0,0|1,0,0]=3 558 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [0,2,0,0,0,0|0,0,0]=2 559 B7R0.5 CCNC(=O)[C@H](C)O SC-12514 [0,2,0,0,0,0|1,0,0]=3 560 B7R0.5 CCOC(=O)C(=O)O SC-26569 [0,2,0,0,0,0|0,0,2]=4 561 B7R0.5 CCOC(=O)C(C)=O SC-15232 [0,2,0,0,0,0|0,0,2]=4 562 B7R0.5 CCOC(=O)C(C)Cl SC-13657 [0,2,0,0,0,0|1,0,0]=3 563 B7R0.5 CCOC(=O)C(C)F SC-75945 [0,2,0,0,0,0|1,0,0]=3 564 B7R0.5 CCOC(=O)C(C)N SC-09294 [0,2,0,0,0,0|1,0,0]=3 565 B7R0.5 CCOC(=O)C(C)N SC-13100 [0,2,0,0,0,0|1,0,0]=3 566 B7R0.5 CCOC(=O)C(F)Br SC-22765 [0,2,0,0,0,0|2,0,0]=4 567 B7R0.5 CCOC(=O)C(F)F SC-15788 [0,2,0,0,0,0|2,0,0]=4 568 B7R0.5 CCOC(=O)N(C)C SC-88157 [0,2,0,0,0,0|2,0,0]=4 569 B7R0.5 CCOC(=O)[C@@H](C)N SC-41949 [0,2,0,0,0,0|1,0,0]=3 570 B7R0.5 CCOC(=O)[C@@H](C)O SC-15791 [0,2,0,0,0,0|0,0,0]=2 571 B7R0.5 CCOC(=O)[C@H](C)N SC-50937 [0,2,0,0,0,0|1,0,0]=3 572 B7R0.5 CC\C=C(/C)C(=O)O SC-62297 [0,2,0,0,0,0|1,0,1]=4 573 B7R0.5 COCC(N)C(=O)O SC-43930 [0,2,0,0,0,0|1,0,0]=3 574 B7R0.5 COC[C@@H](N)C(=O)O SC-44175 [0,2,0,0,0,0|1,0,0]=3 575 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [0,2,0,0,0,0|1,0,0]=3 576 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [0,2,0,0,0,0|1,0,0]=3 577 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [0,2,0,0,0,0|1,0,0]=3 578 B7R0.5 NC(CCO)C(=O)O SC-10290 [0,2,0,0,0,0|1,0,0]=3 579 B7R0.5 NCCC(N)C(=O)O SC-10146 [0,2,0,0,0,0|1,0,0]=3 580 B7R0.5 NCCC(N)C(=O)O SC-20723 [0,2,0,0,0,0|1,0,0]=3 581 B7R0.5 NCCC(N)C(=O)O SC-23452 [0,2,0,0,0,0|1,0,0]=3 582 B7R0.5 NCCC(N)C(=O)O SC-25055 [0,2,0,0,0,0|1,0,0]=3 583 B7R0.5 NCCC(O)C(=O)O SC-16245 [0,2,0,0,0,0|0,0,0]=2 584 B7R0.5 NCC[C@@H](O)C(=O)O SC-26595 [0,2,0,0,0,0|0,0,0]=2 585 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [0,2,0,0,0,0|1,0,0]=3 586 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [0,2,0,0,0,0|1,0,0]=3 587 B7R0.5 O=C(Cl)C(Br)CCBr SC-13450 [0,2,0,0,0,0|2,0,0]=4 588 B7R0.10 C=C(CBr)C(=O)OC SC-17134 [0,2,0,0,0,0|1,0,1]=4 589 B7R0.10 C=C(CCl)C(=O)OC SC-50074 [0,2,0,0,0,0|1,0,1]=4 590 B7R0.10 C=C(CO)C(=O)OC SC-53992 [0,2,0,0,0,0|0,0,2]=4 591 B7R0.10 CC(=N/O)\C(C)=N\O SC-66308 [0,2,0,0,0,0|1,0,1]=4 592 B7R0.10 CCC(=O)C(=O)OC SC-27261 [0,2,0,0,0,0|0,0,2]=4 593 B7R0.10 CC[C@@H](O)C(=O)OC SC-49455 [0,2,0,0,0,0|0,0,0]=2 594 B7R0.10 CC[C@H](N)C(=O)OC SC-33322 [0,2,0,0,0,0|1,0,0]=3 595 B7R0.10 CC[C@H](N)C(=O)OC SC-91370 [0,2,0,0,0,0|1,0,0]=3 596 B7R0.10 CNC(C)C(=O)OC SC-82127 [0,2,0,0,0,0|1,0,0]=3 597 B7R0.10 CN[C@@H](C)C(=O)OC SC-84501 [0,2,0,0,0,0|1,0,0]=3 598 B7R0.10 CN[C@@H](C)C(=O)OC SC-A4993 [0,2,0,0,0,0|1,0,0]=3 599 B7R0.10 COC(=O)C(=O)CBr SC-15244 [0,2,0,0,0,0|0,0,2]=4 600 B7R0.10 COC(=O)C(=O)OC SC-81002 [0,2,0,0,0,0|0,0,2]=4 601 B7R0.10 COC(=O)C(=S)SC SC-66217 [0,2,0,0,0,0|0,1,1]=4 602 B7R0.10 COC(=O)C(Br)CO SC-87315 [0,2,0,0,0,0|1,0,0]=3 603 B7R0.10 COC(=O)C(Br)SC SC-83274 [0,2,0,0,0,0|1,0,0]=3 604 B7R0.10 COC(=O)C(C)CN SC-53925 [0,2,0,0,0,0|1,0,0]=3 605 B7R0.10 COC(=O)C(C)CO SC-08906 [0,2,0,0,0,0|0,0,0]=2 606 B7R0.10 COC(=O)C(C)CO SC-08907 [0,2,0,0,0,0|0,0,0]=2 607 B7R0.10 COC(=O)C(C)OC SC-92649 [0,2,0,0,0,0|0,0,0]=2 608 B7R0.10 COC(=O)C(Cl)C=O SC-53173 [0,2,0,0,0,0|1,0,1]=4 609 B7R0.10 COC(=O)C(Cl)CCl SC-48264 [0,2,0,0,0,0|1,0,0]=3 610 B7R0.10 COC(=O)C(N)CO SC-09862 [0,2,0,0,0,0|1,0,0]=3 611 B7R0.10 COC(=O)C(N)CO SC-51728 [0,2,0,0,0,0|1,0,0]=3 612 B7R0.10 COC(=O)[C@@H](C)CBr SC-08853 [0,2,0,0,0,0|1,0,0]=3 613 B7R0.10 COC(=O)[C@@H](N)CO SC-88547 [0,2,0,0,0,0|1,0,0]=3 614 B7R0.10 COC(=O)[C@@H](N)CS SC-22400 [0,2,0,0,0,0|1,0,0]=3 615 B7R0.10 COC(=O)[C@@H](O)CO SC-44674 [0,2,0,0,0,0|0,0,0]=2 616 B7R0.10 COC(=O)[C@H](C)CBr SC-08854 [0,2,0,0,0,0|1,0,0]=3 617 B7R0.10 COC(=O)[C@H](N)CCl SC-44813 [0,2,0,0,0,0|1,0,0]=3 618 B7R0.10 COC(=O)[C@H](N)CO SC-21448 [0,2,0,0,0,0|1,0,0]=3 619 B7R0.10 COC(=O)[C@H](N)CS SC-95830 [0,2,0,0,0,0|1,0,0]=3 620 B7R0.10 CON(C)C(=O)CBr SC-33609 [0,2,0,0,0,0|2,0,0]=4 621 B7R0.10 CON(C)C(=O)CCl SC-21890 [0,2,0,0,0,0|2,0,0]=4 622 B7R0.10 CON(C)C(=O)CI SC-29719 [0,2,0,0,0,0|2,0,0]=4 623 B7R0.10 C\C=C(/Br)C(=O)OC SC-89362 [0,2,0,0,0,0|1,0,1]=4 624 B7R0.10 N[C@@H](CCl)C(=O)NO SC-22009 [0,2,0,0,0,0|1,0,0]=3 625 B7R0.10 O=CC(O)C(O)C=O SC-74089 [0,2,0,0,0,0|0,0,2]=4 626 B7R0.10 OC(CS)C(O)CS SC-15337 [0,2,0,0,0,0|0,1,1]=4 627 B7R0.10 OC[C@H](O)[C@H](O)CO SC-11315 [0,2,0,0,0,0|0,0,2]=4 628 B7R0.13 C=CC(C)(C)C(=O)O SC-72463 [0,2,0,0,0,0|1,0,0]=3 629 B7R0.13 CC(C)(C#N)C(=O)O SC-65742 [0,2,0,0,0,0|1,0,0]=3 630 B7R0.13 CC(C)(CF)C(=O)O SC-91781 [0,2,0,0,0,0|1,0,0]=3 631 B7R0.13 CC(C)(CN)C(N)=O SC-23041 [0,2,0,0,0,0|2,0,0]=4 632 B7R0.13 CC(C)(CO)[N+](=O)[O-] SC-74270 [0,2,0,0,0,0|1,0,1]=4 633 B7R0.13 CC(N)(CO)C(=O)O SC-73786 [0,2,0,0,0,0|0,0,0]=2 634 B7R0.13 CC(O)(CBr)C(=O)O SC-58676 [0,2,0,0,0,0|0,0,0]=2 635 B7R0.13 CCC(C)(C)C(=O)O SC-15366 [0,2,0,0,0,0|1,0,0]=3 636 B7R0.13 CCC(F)(F)C(=O)O SC-06365 [0,2,0,0,0,0|1,0,0]=3 637 B7R0.13 CC[C@](C)(N)C(=O)O SC-85117 [0,2,0,0,0,0|1,0,0]=3 638 B7R0.13 COC(C)(C)C(=O)O SC-49777 [0,2,0,0,0,0|0,0,0]=2 639 B7R0.13 C[C@](N)(CO)C(=O)O SC-10360 [0,2,0,0,0,0|0,0,0]=2 640 B7R0.13 C[C@](O)(CBr)C(=O)O SC-23641 [0,2,0,0,0,0|0,0,0]=2 641 B7R0.13 NCC(F)(F)C(=O)O SC-22061 [0,2,0,0,0,0|1,0,0]=3 642 B7R0.13 NCC(F)(F)C(=O)O SC-51906 [0,2,0,0,0,0|1,0,0]=3 643 B7R0.14 CC(C)(C)C(=O)C=O SC-33489 [0,2,0,0,0,0|1,0,1]=4 644 B7R0.14 CC(C)(C)C(=O)CBr SC-15347 [0,2,0,0,0,0|2,0,0]=4 645 B7R0.14 CC(C)(C)C(=O)CN SC-14097 [0,2,0,0,0,0|2,0,0]=4 646 B7R0.14 CC(C)(C)C(=O)NN SC-92397 [0,2,0,0,0,0|2,0,0]=4 647 B7R0.14 CC(C)(C)C(=O)NO SC-88683 [0,2,0,0,0,0|1,0,0]=3 648 B7R0.14 COC(=O)C(C)(C)N SC-53222 [0,2,0,0,0,0|1,0,0]=3 649 B7R0.14 COC(=O)C(F)(F)Cl SC-57896 [0,2,0,0,0,0|2,0,0]=4 650 B7R0.14 [2H]OC(=O)C(F)(F)F SC-66734 [0,2,0,0,0,0|2,0,0]=4 651 B7R0.15 CNC(CO)C(=O)O SC-26706 [0,2,0,0,0,0|0,0,0]=2 652 B7R0.15 COC(OC)C(=N)N SC-40005 [0,2,0,0,0,0|2,0,0]=4 653 B7R0.15 COC(OC)[C@@H](C)O SC-70217 [0,2,0,0,0,0|0,0,2]=4 654 B7R0.15 O=C(O)C(CBr)CBr SC-16780 [0,2,0,0,0,0|1,0,0]=3 655 B7R0.15 O=C(O)C(CF)CF SC-41163 [0,2,0,0,0,0|1,0,0]=3 656 B7R0.15 O=C(O)[C@H](CO)NP SC-A4575 [0,2,0,0,0,0|1,0,0]=3 657 B7R0.15 [C@@H](CO)(NC)C(=O)O SC-20914 [0,2,0,0,0,0|0,0,0]=2 658 B7R0.17 CC(C)(O)C(C)(C)O SC-27346 [0,2,0,0,0,0|1,0,1]=4 659 B5R1.2 IC1COC1 SC-43780 [1,0,0,1,0,0|1,0,1]=4 660 B5R1.2 NC1COC1 SC-20809 [1,0,0,1,0,0|1,0,1]=4 661 B5R1.2 O=C1CCC1 SC-00523 [1,0,0,1,0,0|1,0,0]=3 662 B5R1.2 O=C1CCN1 SC-44172 [1,0,0,1,0,0|1,0,0]=3 663 B5R1.2 O=C1CNC1 SC-26093 [1,0,0,1,0,0|2,0,0]=4 664 B5R1.2 O=C1CNC1 SC-48283 [1,0,0,1,0,0|2,0,0]=4 665 B5R1.2 O=C1COC1 SC-21889 [1,0,0,1,0,0|1,0,0]=3 666 B5R1.2 OC1CCC1 SC-26944 [1,0,0,1,0,0|1,0,1]=4 667 B5R1.2 OC1CNC1 SC-04637 [1,0,0,1,0,0|1,0,1]=4 668 B5R1.2 OC1CNC1 SC-19998 [1,0,0,1,0,0|1,0,1]=4 669 B5R1.2 OC1COC1 SC-25466 [1,0,0,1,0,0|0,0,1]=3 670 B5R1.2 OC1CSC1 SC-36448 [1,0,0,1,0,0|0,1,1]=4 671 B5R1.2 SC1COC1 SC-B7217 [1,0,0,1,0,0|0,1,1]=4 672 B5R1.3 BrCC1CO1 SC-25640 [1,0,0,1,0,0|1,0,1]=4 673 B5R1.3 C=CC1CO1 SC-72377 [1,0,0,1,0,0|1,0,0]=3 674 B5R1.3 CC[C@@H]1CO1 SC-52802 [1,0,0,1,0,0|1,0,1]=4 675 B5R1.3 CC[C@H]1CO1 SC-21973 [1,0,0,1,0,0|1,0,1]=4 676 B5R1.3 ClC[C@@H]1CO1 SC-06234 [1,0,0,1,0,0|1,0,1]=4 677 B5R1.3 ClC[C@H]1CO1 SC-04973 [1,0,0,1,0,0|1,0,1]=4 678 B5R1.3 FCC1CO1 SC-91371 [1,0,0,1,0,0|1,0,1]=4 679 B5R1.3 O=CC1CC1 SC-18902 [1,0,0,1,0,0|1,0,0]=3 680 B5R1.3 OCC1CS1 SC-70773 [1,0,0,1,0,0|0,1,1]=4 681 B5R1.3 OC[C@@H]1CO1 SC-05422 [1,0,0,1,0,0|0,0,1]=3 682 B5R1.3 OC[C@H]1CO1 SC-05653 [1,0,0,1,0,0|0,0,1]=3 683 B5R1.5 CC1(O)CC1 SC-53761 [1,0,0,1,0,0|1,0,1]=4 684 B7R1.2 CC1=CC(=O)OC1 SC-25541 [0,0,0,1,0,1|1,0,1]=4 685 B7R1.2 CC1=CC(O)=NO1 SC-00002 [0,0,0,1,0,1|1,0,1]=4 686 B7R1.2 CC1CCC(=O)C1 SC-93748 [0,0,0,1,0,1|2,0,0]=4 687 B7R1.2 CC1CCC(=O)N1 SC-89347 [0,0,0,1,0,1|2,0,0]=4 688 B7R1.2 CC1CNC(=O)C1 SC-50248 [0,0,0,1,0,1|2,0,0]=4 689 B7R1.2 CC1CNC(=O)N1 SC-65644 [0,0,0,1,0,1|2,0,0]=4 690 B7R1.2 CC1COC(=O)C1 SC-60836 [0,0,0,1,0,1|1,0,0]=3 691 B7R1.2 C[C@@H]1CCC(=O)O1 SC-65777 [0,0,0,1,0,1|2,0,0]=4 692 B7R1.2 C[C@@H]1COC(=O)C1 SC-45465 [0,0,0,1,0,1|1,0,0]=3 693 B7R1.2 C[C@@H]1COC(=O)N1 SC-43641 [0,0,0,1,0,1|1,0,0]=3 694 B7R1.2 C[C@@H]1COC(=O)N1 SC-51055 [0,0,0,1,0,1|1,0,0]=3 695 B7R1.2 C[C@H]1CCC(=O)O1 SC-86851 [0,0,0,1,0,1|2,0,0]=4 696 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [0,0,0,1,0,1|1,0,0]=3 697 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [0,0,0,1,0,1|1,0,0]=3 698 B7R1.2 NC1CNC(=O)C1 SC-66063 [0,0,0,1,0,1|2,0,0]=4 699 B7R1.2 NC1COC(=O)C1 SC-34183 [0,0,0,1,0,1|1,0,0]=3 700 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [0,0,0,1,0,1|1,0,0]=3 701 B7R1.2 N[C@H]1CNC(=O)C1 SC-52716 [0,0,0,1,0,1|2,0,0]=4 702 B7R1.2 O=C1C=C(O)CO1 SC-21646 [0,0,0,1,0,1|0,0,1]=3 703 B7R1.2 O=C1CC(O)CN1 SC-29049 [0,0,0,1,0,1|1,0,0]=3 704 B7R1.2 O=C1CCC(Cl)O1 SC-69818 [0,0,0,1,0,1|2,0,0]=4 705 B7R1.2 O=C1COC(=O)C1 SC-86968 [0,0,0,1,0,1|0,0,2]=4 706 B7R1.2 O=C1COC(=O)N1 SC-49693 [0,0,0,1,0,1|0,0,2]=4 707 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [0,0,0,1,0,1|1,0,0]=3 708 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [0,0,0,1,0,1|1,0,0]=3 709 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [0,0,0,1,0,1|0,0,0]=2 710 B7R1.2 O=C1OCC(F)O1 SC-19199 [0,0,0,1,0,1|1,0,0]=3 711 B7R1.2 OC1CCC(O)C1 SC-66165 [0,0,0,1,0,1|1,0,1]=4 712 B7R1.12 CC1CC1C(=O)Cl SC-60998 [0,0,0,1,0,1|2,0,0]=4 713 B7R1.12 CC1CC1C(=O)O SC-71058 [0,0,0,1,0,1|1,0,0]=3 714 B7R1.12 O=C(O)C1CC1F SC-85228 [0,0,0,1,0,1|1,0,0]=3 715 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [0,0,0,1,0,1|1,0,0]=3 716 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [0,0,0,1,0,1|1,0,0]=3 717 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [0,0,0,1,0,1|1,0,0]=3 718 B7R1.20 CC(=O)CC1CC1 SC-21396 [0,0,0,1,0,1|2,0,0]=4 719 B7R1.20 NC(=O)NC1CC1 SC-84633 [0,0,0,1,0,1|2,0,0]=4 720 B7R1.20 O=C(O)CC1CC1 SC-13938 [0,0,0,1,0,1|1,0,0]=3 721 B7R1.4 C=C1CCOC1=O SC-19579 [0,1,0,1,0,0|1,0,1]=4 722 B7R1.4 CC1CCCC1=O SC-89605 [0,1,0,1,0,0|2,0,0]=4 723 B7R1.4 CC1CCNC1=O SC-21672 [0,1,0,1,0,0|2,0,0]=4 724 B7R1.4 CC1CCOC1=O SC-20996 [0,1,0,1,0,0|1,0,0]=3 725 B7R1.4 NC1CCNC1=O SC-13910 [0,1,0,1,0,0|2,0,0]=4 726 B7R1.4 NC1CCNC1=O SC-48795 [0,1,0,1,0,0|2,0,0]=4 727 B7R1.4 NC1CCNC1=O SC-51089 [0,1,0,1,0,0|2,0,0]=4 728 B7R1.4 NC1CCNC1=O SC-53072 [0,1,0,1,0,0|2,0,0]=4 729 B7R1.4 NC1CONC1=O SC-06256 [0,1,0,1,0,0|1,0,0]=3 730 B7R1.4 NC1CONC1=O SC-11124 [0,1,0,1,0,0|1,0,0]=3 731 B7R1.4 N[C@@H]1CCNC1=O SC-65959 [0,1,0,1,0,0|2,0,0]=4 732 B7R1.4 N[C@@H]1CCNC1=O SC-A2225 [0,1,0,1,0,0|2,0,0]=4 733 B7R1.4 N[C@@H]1CCOC1=O SC-28003 [0,1,0,1,0,0|1,0,0]=3 734 B7R1.4 N[C@H]1CCNC1=O SC-96457 [0,1,0,1,0,0|2,0,0]=4 735 B7R1.4 N[C@H]1CCOC1=O SC-01385 [0,1,0,1,0,0|1,0,0]=3 736 B7R1.4 N[C@H]1CCOC1=O SC-28113 [0,1,0,1,0,0|1,0,0]=3 737 B7R1.4 N[C@H]1CCOC1=O SC-51606 [0,1,0,1,0,0|1,0,0]=3 738 B7R1.4 N[C@H]1COC[C@@H]1O SC-44041 [0,1,0,1,0,0|1,0,1]=4 739 B7R1.4 O=C1CCCC1Br SC-70088 [0,1,0,1,0,0|2,0,0]=4 740 B7R1.4 O=C1CCCC1Cl SC-21538 [0,1,0,1,0,0|2,0,0]=4 741 B7R1.4 O=C1NCCC1O SC-26159 [0,1,0,1,0,0|1,0,0]=3 742 B7R1.4 O=C1NCC[C@@H]1O SC-21960 [0,1,0,1,0,0|1,0,0]=3 743 B7R1.4 O=C1NCC[C@H]1O SC-87526 [0,1,0,1,0,0|1,0,0]=3 744 B7R1.4 O=C1OCC[C@@H]1O SC-14306 [0,1,0,1,0,0|0,0,0]=2 745 B7R1.4 O=C1OCC[C@H]1O SC-08904 [0,1,0,1,0,0|0,0,0]=2 746 B7R1.4 O[C@@H]1CCC[C@H]1O SC-A2623 [0,1,0,1,0,0|1,0,1]=4 747 B7R1.4 O[C@H]1CNC[C@@H]1O SC-89540 [0,1,0,1,0,0|1,0,1]=4 748 B7R1.4 O[C@H]1COC[C@H]1O SC-49236 [0,1,0,1,0,0|0,0,2]=4 749 B7R1.18 CC(=O)C1CCC1 SC-74316 [0,1,0,1,0,0|2,0,0]=4 750 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [0,1,0,1,0,0|2,0,0]=4 751 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [0,1,0,1,0,0|2,0,0]=4 752 B7R1.18 O=C(O)C1CCC1 SC-17776 [0,1,0,1,0,0|1,0,0]=3 753 B7R1.18 O=C(O)C1CCN1 SC-53260 [0,1,0,1,0,0|1,0,0]=3 754 B7R1.18 O=C(O)C1CCO1 SC-22549 [0,1,0,1,0,0|0,0,0]=2 755 B7R1.18 O=C(O)C1COC1 SC-48326 [0,1,0,1,0,0|0,0,0]=2 756 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [0,1,0,1,0,0|1,0,0]=3 757 B7R1.19 CC(=O)C1(C)CC1 SC-47849 [0,1,0,1,0,0|2,0,0]=4 758 B7R1.19 CC(=O)C1(F)CC1 SC-83098 [0,1,0,1,0,0|2,0,0]=4 759 B7R1.19 CC1(C(=O)Cl)CC1 SC-45726 [0,1,0,1,0,0|2,0,0]=4 760 B7R1.19 CC1(C(=O)O)CC1 SC-21186 [0,1,0,1,0,0|1,0,0]=3 761 B7R1.19 CC1(C(=O)O)CO1 SC-A2140 [0,1,0,1,0,0|0,0,0]=2 762 B7R1.19 NC1(C(=O)O)CC1 SC-11059 [0,1,0,1,0,0|1,0,0]=3 763 B7R1.19 NC1(C(=O)O)CC1 SC-21274 [0,1,0,1,0,0|1,0,0]=3 764 B7R1.19 O=C(O)C1(Cl)CC1 SC-49481 [0,1,0,1,0,0|1,0,0]=3 765 B7R1.19 O=C(O)C1(F)CC1 SC-49577 [0,1,0,1,0,0|1,0,0]=3 766 B7R1.19 O=C(O)C1(O)CC1 SC-19780 [0,1,0,1,0,0|0,0,0]=2 767 B7R1.22 COC(=O)C1CO1 SC-18773 [0,1,0,1,0,0|0,0,0]=2 768 B7R1.22 NNC(=O)C1CC1 SC-B6986 [0,1,0,1,0,0|2,0,0]=4 769 B7R1.22 N\C(=N/O)C1CC1 SC-23549 [0,1,0,1,0,0|2,0,0]=4 770 B7R1.22 O=C(CBr)C1CC1 SC-20322 [0,1,0,1,0,0|2,0,0]=4 771 B7R0.6 C=C(C)CCC(=O)O SC-31541 [0,0,0,0,0,2|1,0,1]=4 772 B7R0.6 CC(=O)OCC(=O)O SC-65254 [0,0,0,0,0,2|0,0,2]=4 773 B7R0.6 CC(=O)\C=C\C(=O)O SC-94119 [0,0,0,0,0,2|0,0,2]=4 774 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,0,0,0,0,2|1,0,0]=3 775 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,0,0,0,0,2|1,0,0]=3 776 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,0,0,0,0,2|2,0,0]=4 777 B7R0.6 CC(O)CCC(C)O SC-92842 [0,0,0,0,0,2|1,0,1]=4 778 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,0,0,0,0,2|2,0,0]=4 779 B7R0.6 CN(C)CCC(=O)O SC-84792 [0,0,0,0,0,2|2,0,0]=4 780 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,0,0,0,0,2|2,0,0]=4 781 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,0,0,0,0,2|0,0,0]=2 782 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [0,0,0,0,0,2|1,0,1]=4