0 B5R0.5 CC(C)C(=N)N BB20-1445 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.5 CC(Cl)C(N)=O BB12-1307 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.5 CC(O)C(=N)N BB58-0260 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.5 CN(C)C(=N)N BB58-1392 [0,0,0,0,0,0|4,0,0]=4 4 B4R0.1 C#CC(=C)C BB54-0485 [1,0,0,0,0,0|1,0,2]=4 5 B4R0.1 CC(C)NN BB54-0473 [1,0,0,0,0,0|3,0,0]=4 6 B4R0.1 CC(N)CO BB01-7506 [1,0,0,0,0,0|1,0,1]=3 7 B4R0.1 CCC(=N)N BB54-4123 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.1 COC(=S)[S-] BB12-3031 [1,0,0,0,0,0|2,1,0]=4 9 B4R0.1 CSC(=N)N BB01-6974 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.1 C[C@H](N)CO BB20-1224 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.1 C\C(N)=N\O BB53-1937 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 NC(=S)CO BB58-2954 [1,0,0,0,0,0|1,1,0]=3 13 B4R0.1 NC(N)=NO BB57-2413 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.3 CC(C#N)N(C)C BB57-2435 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.3 CC(C)C(=N)NN BB58-0378 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.3 CC(C)C(=O)NN BB12-1583 [0,1,0,0,0,0|2,0,0]=3 17 B6R0.3 CC(C)C(N)CO BB01-7497 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.3 CC(C)C(O)C#N BB57-3716 [0,1,0,0,0,0|1,0,2]=4 19 B6R0.3 CC(C)C(O)CN BB58-1333 [0,1,0,0,0,0|1,0,1]=3 20 B6R0.3 CC(C)\C(N)=N\O BB53-1938 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.3 CC(CN)N(C)C BB12-3256 [0,1,0,0,0,0|3,0,0]=4 22 B6R0.3 CC(CO)[N+](=O)[O-] BB12-1675 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.3 CC(O)\C(N)=N\O BB57-3710 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.3 CCC(Br)C(N)=O BB55-8830 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.3 CN(C)C(=O)CBr BB57-2931 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.3 CN(C)C(=O)CO BB12-3698 [0,1,0,0,0,0|2,0,0]=3 27 B6R0.3 CN(C)C(=O)NN BB12-2766 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.3 CNC(=O)C(C)Br BB12-1295 [0,1,0,0,0,0|1,0,0]=2 29 B6R0.3 CNC(=O)C(C)Cl BB55-4738 [0,1,0,0,0,0|1,0,0]=2 30 B6R0.3 CNC(=O)[C@@H](C)N BB32-0279 [0,1,0,0,0,0|1,0,0]=2 31 B6R0.3 CNC(C)C(=O)O BB57-2982 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.3 COC(=N)C(C)C BB12-3132 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.3 COC(=O)N(C)N BB12-2783 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.3 COC(C)C(=O)O BB57-2927 [0,1,0,0,0,0|1,0,0]=2 35 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,1,0,0,0,0|1,1,0]=3 36 B6R0.3 N#CC(N)C(N)=O BB54-0378 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.3 NC(=O)\C(N)=N\O BB12-3387 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.3 NC(CCl)C(=O)O BB57-2456 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.3 NNC(=O)C(F)F BB58-4045 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.3 O=C(O)C(O)CCl BB57-6579 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.7 CC(=O)C(C)(C)N BB54-1822 [0,1,0,0,0,0|1,0,0]=2 42 B6R0.7 CC(C)(Br)C(N)=O BB55-8836 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.7 CC(C)(N)C(N)=O BB57-1099 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.7 CC(C)C(C)(C)N BB58-0627 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.7 CC(N)C(C)(C)C BB55-1061 [0,1,0,0,0,0|2,0,1]=4 46 B6R1.11 CC(N)C1CC1 BB05-4551 [0,0,0,1,0,0|2,0,1]=4 47 B6R1.11 CC(N)C1CC1 BB55-7032 [0,0,0,1,0,0|2,0,1]=4 48 B6R1.11 N=C(N)C1CC1 BB53-1675 [0,0,0,1,0,0|3,0,0]=4 49 B6R1.11 NC(=S)C1CC1 BB12-3485 [0,0,0,1,0,0|2,1,0]=4 50 B6R0.2 CC(=O)NC(=N)N BB56-2578 [0,0,0,0,0,1|2,0,1]=4 51 B6R0.2 CC(C)=CC(=O)O BB01-7468 [0,0,0,0,0,1|2,0,1]=4 52 B6R0.2 CC(C)NC(N)=O BB01-7616 [0,0,0,0,0,1|2,0,0]=3 53 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,0,0,0,0,1|2,0,0]=3 54 B6R0.2 CC(N)CC(C)O BB58-3424 [0,0,0,0,0,1|1,0,1]=3 55 B6R0.2 NC(=O)CC(=O)O BB55-4726 [0,0,0,0,0,1|2,0,1]=4 56 B6R0.2 O=C(O)CC(F)F BB31-2950 [0,0,0,0,0,1|3,0,0]=4 57 B3R0.1 CNOC BB01-7679 [2,0,0,0,0,0|2,0,0]=4 58 B3R0.1 NNC=O BB12-2770 [2,0,0,0,0,0|2,0,0]=4 59 B3R0.1 N\C=N/O BB12-3512 [2,0,0,0,0,0|2,0,0]=4 60 B3R0.1 [C-]#[N+]CC BB56-1802 [2,0,0,0,0,0|1,0,1]=4 61 B3R0.2 CS(=O)[O-] BB12-1172 [2,0,0,0,0,0|1,0,1]=4 62 B3R0.2 N[13C](N)=O BB54-5648 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.1 C=C(C)CNN BB57-2407 [1,1,0,0,0,0|2,0,0]=4 64 B5R0.1 CC(=O)CC#N BB54-5411 [1,1,0,0,0,0|0,0,1]=3 65 B5R0.1 CC(N)CCO BB57-1076 [1,1,0,0,0,0|1,0,1]=4 66 B5R0.1 CC(O)CNN BB58-3435 [1,1,0,0,0,0|1,0,1]=4 67 B5R0.1 CCOC(C)=N BB12-3674 [1,1,0,0,0,0|1,0,0]=3 68 B5R0.1 CNCC(C)=O BB12-3010 [1,1,0,0,0,0|0,0,0]=2 69 B5R0.1 CNCC(C)O BB12-1288 [1,1,0,0,0,0|0,0,1]=3 70 B5R0.1 COCC(N)=S BB58-4256 [1,1,0,0,0,0|1,1,0]=4 71 B5R0.1 CS(=O)CCN BB55-5915 [1,1,0,0,0,0|1,0,0]=3 72 B5R0.1 NC(=O)CCO BB58-1090 [1,1,0,0,0,0|1,0,0]=3 73 B5R0.3 CC(CN)CO BB57-2245 [1,1,0,0,0,0|1,0,1]=4 74 B5R0.3 CCC(C)NC BB53-1672 [1,1,0,0,0,0|1,0,1]=4 75 B5R0.3 CC\C(N)=N\O BB12-3467 [1,1,0,0,0,0|1,0,1]=4 76 B5R0.3 CNC(=O)CBr BB55-6801 [1,1,0,0,0,0|1,0,0]=3 77 B5R0.3 CNC(=O)CO BB58-0349 [1,1,0,0,0,0|0,0,0]=2 78 B5R0.3 CNC(C)CO BB12-1570 [1,1,0,0,0,0|1,0,0]=3 79 B5R0.3 COC(C)C#N BB57-3722 [1,1,0,0,0,0|1,0,1]=4 80 B5R0.3 COC(C)CN BB55-4647 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.3 NNC(=O)CO BB12-3095 [1,1,0,0,0,0|1,0,0]=3 82 B5R0.3 NNC(=O)CS BB58-4379 [1,1,0,0,0,0|1,1,0]=4 83 B5R0.3 N\C(CCl)=N/O BB57-3706 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.3 N\C(CO)=N\O BB57-2423 [1,1,0,0,0,0|1,0,1]=4 85 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [1,1,0,0,0,0|1,0,1]=4 86 B5R0.4 CC(C)(N)CO BB17-0635 [1,1,0,0,0,0|1,0,1]=4 87 B5R0.4 CC(C)(O)CBr BB58-5360 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.2 CC(C)CC(=O)NN BB12-2655 [0,1,0,0,0,1|2,0,0]=4 89 B7R0.2 CC(C)CC(O)CN BB58-4053 [0,1,0,0,0,1|1,0,1]=4 90 B7R0.2 CC(C)NC(=O)CBr BB57-1138 [0,1,0,0,0,1|1,0,0]=3 91 B7R0.2 CC(CO)CN(C)C BB12-3644 [0,1,0,0,0,1|2,0,0]=4 92 B7R0.2 CCC(C)NC(N)=O BB01-7615 [0,1,0,0,0,1|2,0,0]=4 93 B7R0.2 CCN(C)CC(C)=O BB12-2316 [0,1,0,0,0,1|2,0,0]=4 94 B7R0.2 CN(C)CC(O)CN BB57-3763 [0,1,0,0,0,1|2,0,0]=4 95 B7R0.2 CNC(=O)CC(=O)O BB55-4725 [0,1,0,0,0,1|1,0,1]=4 96 B7R0.2 CNC(=O)CC(C)N BB12-1658 [0,1,0,0,0,1|1,0,0]=3 97 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,1,0,0,0,1|2,0,0]=4 98 B7R0.2 C\C(C=O)=C\N(C)C BB12-3546 [0,1,0,0,0,1|2,0,0]=4 99 B7R0.9 CC(=O)CS(C)(=O)=O BB12-0011 [0,1,0,0,0,1|1,0,1]=4 100 B7R0.9 CC(C)(C)NC(N)=O BB01-7611 [0,1,0,0,0,1|2,0,0]=4 101 B7R0.9 CC(C)(C)OC(N)=O BB56-2323 [0,1,0,0,0,1|2,0,0]=4 102 B7R0.16 CC(=O)C(=O)N(C)C BB58-1081 [0,1,0,0,0,1|2,0,0]=4 103 B7R0.5 CC(=O)N(C)CCO BB55-7164 [0,2,0,0,0,0|1,0,0]=3 104 B7R0.5 CC(CCO)N(C)C BB12-3646 [0,2,0,0,0,0|2,0,0]=4 105 B7R0.5 CC(NC=O)C(=O)O BB12-1345 [0,2,0,0,0,0|1,0,1]=4 106 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [0,2,0,0,0,0|1,0,1]=4 107 B7R0.5 CCNC(=O)C(C)Cl BB55-4743 [0,2,0,0,0,0|1,0,0]=3 108 B7R0.5 CCOC(=N)C(C)C BB57-3768 [0,2,0,0,0,0|2,0,0]=4 109 B7R0.5 CCOC(=N)C(C)O BB58-1354 [0,2,0,0,0,0|1,0,0]=3 110 B7R0.5 CCOC(=O)N(C)N BB57-3659 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,2,0,0,0,0|1,1,0]=4 112 B7R0.5 CN(C)C(=O)CC#N BB12-1492 [0,2,0,0,0,0|2,0,0]=4 113 B7R0.5 CN(C)C(=O)CCCl BB12-1527 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.5 CN(C)C(=O)CCN BB57-3998 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.5 CN(C)C(=O)CCO BB12-3663 [0,2,0,0,0,0|2,0,0]=4 116 B7R0.5 CNCC(=O)N(C)C BB57-3999 [0,2,0,0,0,0|2,0,0]=4 117 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,2,0,0,0,0|2,0,0]=4 118 B7R0.10 CCC(C)C(=O)NN BB55-8843 [0,2,0,0,0,0|2,0,0]=4 119 B7R0.10 CCC(N)C(=O)NO BB57-4144 [0,2,0,0,0,0|2,0,0]=4 120 B7R0.10 CCN(C)C(=O)CCl BB12-2479 [0,2,0,0,0,0|2,0,0]=4 121 B7R0.10 CNC(=O)C(C)NC BB12-3606 [0,2,0,0,0,0|1,0,0]=3 122 B7R0.10 CNC(=O)\C(N)=N\O BB57-2408 [0,2,0,0,0,0|1,0,1]=4 123 B7R0.10 CNC(C)C(=O)OC BB57-2496 [0,2,0,0,0,0|1,0,0]=3 124 B7R0.10 COC(=O)C(O)CCl BB57-4961 [0,2,0,0,0,0|0,0,0]=2 125 B7R0.10 COC(=O)\C(N)=N\O BB58-1318 [0,2,0,0,0,0|1,0,1]=4 126 B7R0.10 COC(C)\C(N)=N\O BB57-3723 [0,2,0,0,0,0|1,0,1]=4 127 B7R0.13 CC(C)(CO)[N+](=O)[O-] BB58-2134 [0,2,0,0,0,0|2,0,0]=4 128 B7R0.13 CCC(C)(N)C(=O)O BB56-0974 [0,2,0,0,0,0|2,0,0]=4 129 B7R0.13 CN(C)C(C)(C)CO BB58-0203 [0,2,0,0,0,0|2,0,0]=4 130 B7R0.13 COC(C)(C)C(=O)O BB57-1085 [0,2,0,0,0,0|1,0,0]=3 131 B7R0.14 CC(C)(C)C(=O)CN BB12-1271 [0,2,0,0,0,0|1,0,0]=3 132 B7R0.14 CC(C)(C)C(=O)NN BB12-2638 [0,2,0,0,0,0|2,0,0]=4 133 B7R0.14 CC(C)(C)C(O)CN BB58-4055 [0,2,0,0,0,0|1,0,1]=4 134 B7R0.14 CC(C)(O)C(O)CN BB58-0361 [0,2,0,0,0,0|0,0,2]=4 135 B7R0.14 CNC(=O)C(C)(C)N BB57-2984 [0,2,0,0,0,0|1,0,0]=3 136 B7R0.15 CCC(CN)C(=O)O BB58-3841 [0,2,0,0,0,0|2,0,0]=4 137 B7R0.15 CCC(CO)N(C)C BB12-3597 [0,2,0,0,0,0|2,0,0]=4 138 B7R0.15 CCC(NC)C(=O)O BB57-2477 [0,2,0,0,0,0|2,0,0]=4 139 B7R0.15 CCC(NC)C(N)=O BB57-1806 [0,2,0,0,0,0|2,0,0]=4 140 B7R0.15 CCC(OC)C(=O)O BB57-2928 [0,2,0,0,0,0|1,0,0]=3 141 B7R0.15 COC(OC)C(N)=O BB58-3444 [0,2,0,0,0,0|1,0,0]=3 142 B5R1.2 O=C1CNC1 BB20-3400 [1,0,0,1,0,0|1,0,0]=3 143 B5R1.3 FCC1CO1 BB57-4956 [1,0,0,1,0,0|1,0,1]=4 144 B5R1.5 CC1(N)CC1 BB58-0060 [1,0,0,1,0,0|1,0,1]=4 145 B7R1.2 CC1=CC(C)=NO1 BB01-6357 [0,0,0,1,0,1|1,0,1]=4 146 B7R1.2 CC1CNC(=O)C1 BB58-5429 [0,0,0,1,0,1|2,0,0]=4 147 B7R1.2 CC1CNC(=O)O1 BB57-3655 [0,0,0,1,0,1|2,0,0]=4 148 B7R1.2 CC1COC(=O)N1 BB57-2454 [0,0,0,1,0,1|2,0,0]=4 149 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,0,0,1,0,1|0,0,1]=3 150 B7R1.2 O=C1C=C(O)CO1 BB54-5190 [0,0,0,1,0,1|1,0,1]=4 151 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [0,0,0,1,0,1|0,0,2]=4 152 B7R1.12 O=C(O)[C@H]1C[C@@H]1F BB31-3333 [0,0,0,1,0,1|2,0,0]=4 153 B7R1.20 O=C(Cl)CC1CC1 BB57-3744 [0,0,0,1,0,1|2,0,0]=4 154 B7R1.4 NC1CCCC1=O BB58-3328 [0,1,0,1,0,0|1,0,0]=3 155 B7R1.4 NC1CCNC1=O BB12-2184 [0,1,0,1,0,0|1,0,0]=3 156 B7R1.4 N[C@@H]1CSC[C@H]1O BB54-3348 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.18 NC(=O)C1CCC1 BB12-3033 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.18 O=C(O)C1CCN1 BB57-4884 [0,1,0,1,0,0|2,0,0]=4 159 B7R1.18 O=C(O)C1CCO1 BB31-4760 [0,1,0,1,0,0|1,0,0]=3 160 B7R1.19 NC(=O)C1(N)CC1 BB58-3762 [0,1,0,1,0,0|2,0,0]=4 161 B7R1.22 COC(=O)C1CN1 BB58-4742 [0,1,0,1,0,0|1,0,0]=3 162 B7R1.22 O=C(CBr)C1CC1 BB55-6968 [0,1,0,1,0,0|1,0,0]=3 163 B7R1.22 O=C(CCl)N1CC1 BB57-2872 [0,1,0,1,0,0|2,0,0]=4 164 B7R1.22 OC(CBr)C1CC1 BB58-0634 [0,1,0,1,0,0|1,0,1]=4 165 B7R1.23 CC1(C)CC1CO BB31-7326 [0,1,0,1,0,0|1,0,1]=4 166 B7R0.6 C=C(C)COC(C)=O BB12-2984 [0,0,0,0,0,2|1,0,1]=4 167 B7R0.6 CC(C)CNC(N)=O BB01-7595 [0,0,0,0,0,2|2,0,0]=4 168 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,0,0,0,0,2|2,0,0]=4 169 B7R0.6 CC(O)CNC(C)C BB58-2123 [0,0,0,0,0,2|1,0,1]=4