0 B5R0.3 C=CC(O)CBr SC-69913 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 CCC(=N)NO SC-56228 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.3 CCC(=O)CN SC-94912 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 CCC(O)OC SC-25588 [0,0,0,0,0,0|0,0,4]=4 4 B5R0.3 CNC(=O)CCl SC-27694 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 CNC(=O)CO SC-48574 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 CNC(=O)NC SC-15870 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 COC(C)CO SC-97662 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 O=C(CF)CF SC-49840 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 C=C(Cl)CCl SC-62204 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.1 C=C(N)OC SC-01201 [1,0,0,0,0,0|1,0,0]=2 11 B4R0.1 C=CC(=O)Cl SC-18188 [1,0,0,0,0,0|1,0,0]=2 12 B4R0.1 C=CC(=O)[O-] SC-80823 [1,0,0,0,0,0|0,0,1]=2 13 B4R0.1 CC(=O)NN SC-16358 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 CCC(=N)N SC-39291 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 COC(=N)N SC-46936 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 COC(=N)N SC-65775 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.1 COC(=O)[O-] SC-65186 [1,0,0,0,0,0|1,0,0]=2 18 B4R0.1 COC(N)=O SC-46315 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.1 COC(N)=[NH2+] SC-15893 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 F\C(Cl)=C/Cl SC-62454 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 NCC(=O)O SC-26815 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 O=C(Cl)CCl SC-18214 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 O=C(O)CO SC-85771 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 O=C([O-])CBr SC-50549 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 O=C([O-])CO SC-89096 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.2 C=CCCBr SC-17888 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.2 C=CCNN SC-54870 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.2 C=CCOC SC-62245 [1,0,0,0,0,0|0,0,1]=2 29 B4R0.2 CCOC=N SC-52423 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.2 COCC[O-] SC-67452 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.1 C=CC(=O)OCC SC-19398 [0,1,0,0,0,0|0,0,0]=1 32 B6R0.1 CC#CC(=O)NN SC-50891 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.1 CCC(=O)CC#N SC-26865 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.1 COC(=O)CC#N SC-19134 [0,1,0,0,0,0|0,0,2]=3 35 B6R0.1 COC(=O)CCCl SC-19880 [0,1,0,0,0,0|0,0,2]=3 36 B6R0.1 COC(=O)NC#N SC-49423 [0,1,0,0,0,0|1,0,1]=3 37 B6R0.1 COC\C(N)=N\O SC-29295 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.3 CC(=O)C(=O)CBr SC-66140 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.3 CC(Br)C(=O)NN SC-40152 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.3 CC(C)C(=O)O[SiH3] SC-65279 [0,1,0,0,0,0|0,1,2]=4 41 B6R0.3 CC(Cl)C(=O)NN SC-39740 [0,1,0,0,0,0|3,0,0]=4 42 B6R0.3 CC(O)C(=O)CCl SC-52977 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.3 CCC(=O)C(C)Br SC-52663 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.3 CCC(=O)N(C)C SC-46819 [0,1,0,0,0,0|1,0,2]=4 45 B6R0.3 CN(C)C(=O)CN SC-48680 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.3 COC(=O)C(C)Br SC-26723 [0,1,0,0,0,0|0,0,2]=3 47 B6R0.3 COC(=O)C(F)F SC-49092 [0,1,0,0,0,0|1,0,1]=3 48 B6R1.2 BrC1=NC=CO1 SC-33438 [0,0,0,1,0,0|2,0,1]=4 49 B6R1.2 CC1=CC=CS1 SC-05307 [0,0,0,1,0,0|1,1,1]=4 50 B6R1.2 ClC1=CC=CS1 SC-07452 [0,0,0,1,0,0|1,1,1]=4 51 B6R1.2 IC1=CNC=C1 SC-66076 [0,0,0,1,0,0|3,0,0]=4 52 B6R1.2 IC1=NC=CO1 SC-38199 [0,0,0,1,0,0|2,0,1]=4 53 B6R1.2 NC1=COC=C1 SC-34995 [0,0,0,1,0,0|3,0,0]=4 54 B6R1.2 NC1=CSC=C1 SC-52323 [0,0,0,1,0,0|3,0,0]=4 55 B6R1.2 O=C1CCON1 SC-95997 [0,0,0,1,0,0|3,0,0]=4 56 B6R1.2 O=C1CCSC1 SC-00014 [0,0,0,1,0,0|2,0,1]=4 57 B6R1.2 O=C1N=CN=N1 SC-49136 [0,0,0,1,0,0|3,0,0]=4 58 B6R1.2 O=C1OCCO1 SC-46725 [0,0,0,1,0,0|1,0,1]=3 59 B6R1.2 S=C1C=CCC1 SC-42975 [0,0,0,1,0,0|1,1,0]=3 60 B6R1.2 [CH2-]C1=CC=CO1 SC-22251 [0,0,0,1,0,0|1,0,1]=3 61 B6R1.2 [Co]C1=CC=CC1 SC-66763 [0,0,0,1,0,0|2,0,1]=4 62 B6R1.2 [Mg+]C1=CC=CS1 SC-84693 [0,0,0,1,0,0|1,1,1]=4 63 B3R0.1 COC=O SC-19116 [2,0,0,0,0,0|0,0,0]=2 64 B3R0.1 Cl\C=C\Cl SC-65915 [2,0,0,0,0,0|2,0,0]=4 65 B3R0.1 O=CC=O SC-19118 [2,0,0,0,0,0|1,0,0]=3 66 B3R0.2 C=C(C)Br SC-25629 [2,0,0,0,0,0|1,0,0]=3 67 B3R0.2 C=C(F)Br SC-45874 [2,0,0,0,0,0|2,0,0]=4 68 B3R0.2 C=C(F)F SC-80478 [2,0,0,0,0,0|2,0,0]=4 69 B3R0.2 CC(=O)Cl SC-18262 [2,0,0,0,0,0|1,0,0]=3 70 B3R0.2 CC(=O)O SC-18360 [2,0,0,0,0,0|0,0,1]=3 71 B3R0.2 CC(=O)[O-] SC-18378 [2,0,0,0,0,0|1,0,0]=3 72 B3R0.2 CC(=O)[O-] SC-18482 [2,0,0,0,0,0|1,0,0]=3 73 B3R0.2 CC(=O)[O-] SC-25242 [2,0,0,0,0,0|1,0,0]=3 74 B3R0.2 CC(=O)[O-] SC-27311 [2,0,0,0,0,0|1,0,0]=3 75 B3R0.2 CC(=O)[O-] SC-46276 [2,0,0,0,0,0|1,0,0]=3 76 B3R0.2 CC(=O)[O-] SC-46872 [2,0,0,0,0,0|1,0,0]=3 77 B3R0.2 CC(=O)[O-] SC-80851 [2,0,0,0,0,0|1,0,0]=3 78 B3R0.2 CC(=O)[O-] SC-81149 [2,0,0,0,0,0|1,0,0]=3 79 B3R0.2 CC(=O)[O-] SC-81231 [2,0,0,0,0,0|1,0,0]=3 80 B3R0.2 CC(=O)[O-] SC-81521 [2,0,0,0,0,0|1,0,0]=3 81 B3R0.2 CC(=S)S SC-49352 [2,0,0,0,0,0|1,1,0]=4 82 B3R0.2 CC(C)=O SC-20986 [2,0,0,0,0,0|0,0,1]=3 83 B3R0.2 O=C([O-])O SC-19122 [2,0,0,0,0,0|1,0,0]=3 84 B3R0.2 O=C([O-])[O-] SC-18528 [2,0,0,0,0,0|1,0,1]=4 85 B3R0.2 O=C([O-])[O-] SC-19443 [2,0,0,0,0,0|1,0,1]=4 86 B3R0.2 O=C([O-])[O-] SC-22160 [2,0,0,0,0,0|1,0,1]=4 87 B3R0.2 O=C([O-])[O-] SC-50862 [2,0,0,0,0,0|1,0,1]=4 88 B3R0.2 O=C([O-])[O-] SC-81206 [2,0,0,0,0,0|1,0,1]=4 89 B3R0.2 O=C([O-])[O-] SC-81240 [2,0,0,0,0,0|1,0,1]=4 90 B3R0.2 O=C([O-])[O-] SC-81527 [2,0,0,0,0,0|1,0,1]=4 91 B5R0.1 C=C(C)CCI SC-35692 [1,1,0,0,0,0|2,0,0]=4 92 B5R0.1 C=CCC(C)O SC-49226 [1,1,0,0,0,0|0,0,2]=4 93 B5R0.1 CC(=O)NCO SC-19774 [1,1,0,0,0,0|1,0,1]=4 94 B5R0.1 CC(=O)\C=N\O SC-51367 [1,1,0,0,0,0|1,0,0]=3 95 B5R0.1 CC(C)=CCBr SC-61636 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.1 CNCC(=O)[O-] SC-18610 [1,1,0,0,0,0|2,0,0]=4 97 B5R0.1 COCC(=O)O SC-22928 [1,1,0,0,0,0|1,0,0]=3 98 B5R0.1 COCC(C)=O SC-81373 [1,1,0,0,0,0|0,0,1]=3 99 B5R0.1 COCC(C)=S SC-42217 [1,1,0,0,0,0|0,1,1]=4 100 B5R0.1 CSCC(N)=O SC-27108 [1,1,0,0,0,0|1,1,0]=4 101 B5R0.1 C\C=C\C(=O)Cl SC-24539 [1,1,0,0,0,0|1,0,0]=3 102 B5R0.1 C\C=C\[N+](=O)[O-] SC-65946 [1,1,0,0,0,0|1,0,1]=4 103 B5R0.1 O=C(O)CCF SC-53145 [1,1,0,0,0,0|0,0,2]=4 104 B5R0.4 C=CC(C)(C)N SC-36956 [1,1,0,0,0,0|1,0,1]=4 105 B5R0.4 C=CS(=O)(=O)[O-] SC-25619 [1,1,0,0,0,0|1,0,1]=4 106 B5R0.4 C=C[Si](C)(C)Cl SC-21357 [1,1,0,0,0,0|1,1,0]=4 107 B5R0.5 C=C(C)[N+](=O)[O-] SC-66208 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.5 CC(=O)C(=O)[O-] SC-25992 [1,1,0,0,0,0|1,0,0]=3 109 B5R0.5 CC(=O)C(=O)[O-] SC-26010 [1,1,0,0,0,0|1,0,0]=3 110 B5R0.5 CC(=O)C(C)Br SC-44476 [1,1,0,0,0,0|0,0,2]=4 111 B5R0.5 CC(Cl)C(N)=O SC-50401 [1,1,0,0,0,0|2,0,0]=4 112 B5R0.5 CC(O)C(=O)O SC-15841 [1,1,0,0,0,0|0,0,2]=4 113 B5R0.5 CC(O)C(=O)O SC-18578 [1,1,0,0,0,0|0,0,2]=4 114 B5R0.5 CC(O)C(=O)[O-] SC-15837 [1,1,0,0,0,0|2,0,0]=4 115 B5R0.5 CC(O)C(=O)[O-] SC-18033 [1,1,0,0,0,0|2,0,0]=4 116 B5R0.5 CC(O)C(=O)[O-] SC-46260 [1,1,0,0,0,0|2,0,0]=4 117 B5R0.5 O=C(O)C(=O)O SC-52693 [1,1,0,0,0,0|1,0,0]=3 118 B5R0.5 O=C(O)C(=O)O SC-96241 [1,1,0,0,0,0|1,0,0]=3 119 B5R0.5 O=C([O-])C(=O)[O-] SC-18446 [1,1,0,0,0,0|1,0,1]=4 120 B5R0.5 [C@@H](C)(N)C(N)=O SC-22084 [1,1,0,0,0,0|2,0,0]=4 121 B5R0.2 C=COCCC SC-13613 [1,1,0,0,0,0|1,0,1]=4 122 B5R0.2 C\C=C/OCC SC-15783 [1,1,0,0,0,0|0,0,1]=3 123 B7R0.2 CCC(=O)OC(C)=O SC-96821 [0,2,0,0,0,0|0,0,2]=4 124 B7R0.2 COC(=O)C=C(C)C SC-26810 [0,2,0,0,0,0|0,0,0]=2 125 B7R0.2 COC(=O)CC(C)=O SC-65271 [0,2,0,0,0,0|0,0,1]=3 126 B7R0.2 COC(=O)C[C@@H](C)O SC-08902 [0,2,0,0,0,0|0,0,2]=4 127 B7R0.3 C=CC(=O)OCCO SC-18184 [0,2,0,0,0,0|0,0,0]=2 128 B7R0.3 CCOCC(=O)NN SC-59718 [0,2,0,0,0,0|2,0,0]=4 129 B7R0.3 CC\C=C\C(=O)OC SC-62851 [0,2,0,0,0,0|0,0,0]=2 130 B7R0.3 COC(=O)CCC#N SC-20469 [0,2,0,0,0,0|0,0,2]=4 131 B7R0.3 COC(=O)CCCBr SC-46963 [0,2,0,0,0,0|0,0,2]=4 132 B7R0.3 CO\C=C\C(=O)OC SC-62260 [0,2,0,0,0,0|0,0,0]=2 133 B7R0.5 C=C(Br)C(=O)OCC SC-88211 [0,2,0,0,0,0|0,0,0]=2 134 B7R0.5 CCOC(=O)C(F)F SC-15788 [0,2,0,0,0,0|1,0,1]=4 135 B7R0.5 CCOC(=O)C(N)=O SC-20979 [0,2,0,0,0,0|1,0,0]=3 136 B7R0.5 CCOC(=O)[C@@H](C)N SC-41949 [0,2,0,0,0,0|0,0,2]=4 137 B7R0.5 CCOC(=O)[C@H](C)N SC-50937 [0,2,0,0,0,0|0,0,2]=4 138 B7R0.10 C=C(CCl)C(=O)OC SC-50074 [0,2,0,0,0,0|0,0,0]=2 139 B7R0.10 COC(=O)C(=O)NN SC-88661 [0,2,0,0,0,0|1,0,0]=3 140 B7R0.10 COC(=O)C(=S)SC SC-66217 [0,2,0,0,0,0|0,0,1]=3 141 B7R0.10 COC(=O)[C@@H](N)CO SC-88547 [0,2,0,0,0,0|0,0,2]=4 142 B7R0.10 COC(=O)[C@H](C)CBr SC-08854 [0,2,0,0,0,0|0,0,2]=4 143 B7R0.10 CON(C)C(=O)CBr SC-33609 [0,2,0,0,0,0|1,0,1]=4 144 B7R0.10 CON(C)C(=O)CI SC-29719 [0,2,0,0,0,0|1,0,1]=4 145 B7R0.14 CC(C)(C)C(=O)C=O SC-33489 [0,2,0,0,0,0|2,0,0]=4 146 B5R1.1 C1=CCC=C1 SC-49087 [1,0,0,1,0,0|1,0,0]=3 147 B5R1.1 C1=COCC1 SC-22656 [1,0,0,1,0,0|0,0,1]=3 148 B5R1.1 C1=CSC=C1 SC-19095 [1,0,0,1,0,0|0,1,1]=4 149 B7R1.1 C#CC1=CC=CO1 SC-51503 [0,1,0,1,0,0|1,0,1]=4 150 B7R1.1 CCC1=NC=CN1 SC-52244 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.1 CNC1=CC=CO1 SC-51291 [0,1,0,1,0,0|1,0,1]=4 152 B7R1.1 COC1=CC=CO1 SC-21425 [0,1,0,1,0,0|0,0,1]=3 153 B7R1.1 COC1=NC=CS1 SC-46438 [0,1,0,1,0,0|0,1,0]=3 154 B7R1.1 ClCC1=CC=NO1 SC-52808 [0,1,0,1,0,0|2,0,0]=4 155 B7R1.1 O=CC1=CC=CS1 SC-07484 [0,1,0,1,0,0|0,1,1]=4 156 B7R1.2 C[C@@H]1CCC(=O)O1 SC-65777 [0,1,0,1,0,0|0,0,2]=4 157 B7R1.2 C[C@@H]1COC(=O)C1 SC-45465 [0,1,0,1,0,0|0,0,2]=4 158 B7R1.2 C[C@@H]1COC(=O)N1 SC-43641 [0,1,0,1,0,0|0,0,2]=4 159 B7R1.2 C[C@@H]1COC(=O)N1 SC-51055 [0,1,0,1,0,0|0,0,2]=4 160 B7R1.2 C[C@H]1CCC(=O)O1 SC-86851 [0,1,0,1,0,0|0,0,2]=4 161 B7R1.2 O=C1C=CC(Cl)O1 SC-69817 [0,1,0,1,0,0|0,0,0]=2 162 B7R1.2 O=C1CCC(Cl)O1 SC-69818 [0,1,0,1,0,0|0,0,2]=4 163 B7R1.2 O=C1CNC(=O)N1 SC-46970 [0,1,0,1,0,0|2,0,0]=4 164 B7R1.2 O=C1C[C@@H](O)CO1 SC-49425 [0,1,0,1,0,0|0,0,2]=4 165 B7R1.2 O=C1OCC(F)O1 SC-19199 [0,1,0,1,0,0|1,0,1]=4 166 B7R1.3 NC1=CNCC=C1 SC-46309 [0,1,0,1,0,0|2,0,0]=4 167 B7R1.4 BrC1=C(Br)OC=C1 SC-21219 [0,1,0,1,0,0|1,0,1]=4 168 B7R1.4 CC1=C(Cl)SC=C1 SC-01084 [0,1,0,1,0,0|2,0,0]=4 169 B7R1.4 CC1=C(N)C=NO1 SC-14975 [0,1,0,1,0,0|2,0,0]=4 170 B7R1.4 CC1=C(N)ON=C1 SC-68140 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.4 CC1=CC=NN1C SC-06312 [0,1,0,1,0,0|2,0,0]=4 172 B7R1.4 CN1C=NC=C1Cl SC-07080 [0,1,0,1,0,0|2,0,0]=4 173 B7R1.4 NC1CONC1=O SC-11124 [0,1,0,1,0,0|1,0,1]=4 174 B7R1.4 N[C@H]1CCOC1=O SC-51606 [0,1,0,1,0,0|0,0,2]=4 175 B7R1.4 O=C1CCC=C1Br SC-49478 [0,1,0,1,0,0|1,0,0]=3 176 B7R1.4 O=C1OCC[C@H]1O SC-08904 [0,1,0,1,0,0|0,0,2]=4 177 B7R1.22 COC(=O)C1CN1 SC-43747 [0,1,0,1,0,0|0,0,2]=4