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 CC(C)NN BB54-0473 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.1 CC(N)CO BB01-7506 [1,0,0,0,0,0|1,0,1]=3 6 B4R0.1 CCC(=N)N BB54-4123 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.1 COC(=S)[S-] BB12-3031 [1,0,0,0,0,0|1,2,0]=4 8 B4R0.1 CSC(=N)N BB01-6974 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 C[C@H](N)CO BB20-1224 [1,0,0,0,0,0|1,0,1]=3 10 B4R0.1 C\C(N)=N\O BB53-1937 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 NC(=S)CO BB58-2954 [1,0,0,0,0,0|1,1,0]=3 12 B4R0.1 NC(N)=NO BB57-2413 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.3 CC(C)C(=N)NN BB58-0378 [0,1,0,0,0,0|3,0,0]=4 14 B6R0.3 CC(C)C(=O)NN BB12-1583 [0,1,0,0,0,0|2,0,0]=3 15 B6R0.3 CC(C)C(N)CO BB01-7497 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.3 CC(C)C(O)C#N BB57-3716 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.3 CC(C)C(O)CN BB58-1333 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.3 CC(C)\C(N)=N\O BB53-1938 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.3 CC(CO)[N+](=O)[O-] BB12-1675 [0,1,0,0,0,0|1,0,1]=3 20 B6R0.3 CC(O)\C(N)=N\O BB57-3710 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.3 CCC(Br)C(N)=O BB55-8830 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.3 CN(C)C(=O)CBr BB57-2931 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.3 CN(C)C(=O)CO BB12-3698 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.3 CN(C)C(=O)NN BB12-2766 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.3 CNC(=O)C(C)Br BB12-1295 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.3 CNC(=O)C(C)Cl BB55-4738 [0,1,0,0,0,0|2,0,0]=3 27 B6R0.3 CNC(=O)[C@@H](C)N BB32-0279 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.3 CNC(C)C(=O)O BB57-2982 [0,1,0,0,0,0|1,0,0]=2 29 B6R0.3 COC(=N)C(C)C BB12-3132 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.3 COC(=O)N(C)N BB12-2783 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.3 COC(C)C(=O)O BB57-2927 [0,1,0,0,0,0|0,0,0]=1 32 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,1,0,0,0,0|0,1,0]=2 33 B6R0.3 N#CC(N)C(N)=O BB54-0378 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.3 NC(=O)\C(N)=N\O BB12-3387 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.3 NC(CCl)C(=O)O BB57-2456 [0,1,0,0,0,0|1,0,0]=2 36 B6R0.3 NNC(=O)C(F)F BB58-4045 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.3 O=C(O)C(O)CCl BB57-6579 [0,1,0,0,0,0|0,0,0]=1 38 B6R0.7 CC(=O)C(C)(C)N BB54-1822 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.7 CC(C)(Br)C(N)=O BB55-8836 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.7 CC(C)(N)C(N)=O BB57-1099 [0,1,0,0,0,0|2,0,0]=3 41 B6R1.11 N=C(N)C1CC1 BB53-1675 [0,0,0,1,0,0|3,0,0]=4 42 B6R1.11 NC(=S)C1CC1 BB12-3485 [0,0,0,1,0,0|2,1,0]=4 43 B6R0.2 CC(C)=CC(=O)O BB01-7468 [0,0,0,0,0,1|1,0,1]=3 44 B6R0.2 CC(C)NC(N)=O BB01-7616 [0,0,0,0,0,1|2,0,0]=3 45 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,0,0,0,0,1|1,0,0]=2 46 B6R0.2 CC(N)CC(C)O BB58-3424 [0,0,0,0,0,1|2,0,1]=4 47 B6R0.2 NC(=O)CC(=O)O BB55-4726 [0,0,0,0,0,1|1,0,2]=4 48 B6R0.2 O=C(O)CC(F)F BB31-2950 [0,0,0,0,0,1|2,0,0]=3 49 B3R0.1 NNC=O BB12-2770 [2,0,0,0,0,0|2,0,0]=4 50 B3R0.1 N\C=N/O BB12-3512 [2,0,0,0,0,0|2,0,0]=4 51 B3R0.1 [C-]#[N+]CC BB56-1802 [2,0,0,0,0,0|2,0,0]=4 52 B3R0.2 CS(=O)[O-] BB12-1172 [2,0,0,0,0,0|1,0,1]=4 53 B3R0.2 N[13C](N)=O BB54-5648 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.1 CC(=O)CC#N BB54-5411 [1,1,0,0,0,0|1,0,1]=4 55 B5R0.1 CC(N)CCO BB57-1076 [1,1,0,0,0,0|1,0,1]=4 56 B5R0.1 CC(O)CNN BB58-3435 [1,1,0,0,0,0|1,0,1]=4 57 B5R0.1 CCOC(C)=N BB12-3674 [1,1,0,0,0,0|2,0,0]=4 58 B5R0.1 CNCC(C)=O BB12-3010 [1,1,0,0,0,0|1,0,0]=3 59 B5R0.1 CNCC(C)O BB12-1288 [1,1,0,0,0,0|1,0,1]=4 60 B5R0.1 COCC(N)=S BB58-4256 [1,1,0,0,0,0|1,1,0]=4 61 B5R0.1 CS(=O)CCN BB55-5915 [1,1,0,0,0,0|2,0,0]=4 62 B5R0.1 NC(=O)CCO BB58-1090 [1,1,0,0,0,0|1,0,0]=3 63 B5R0.3 CC(CN)CO BB57-2245 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.3 CC\C(N)=N\O BB12-3467 [1,1,0,0,0,0|1,0,0]=3 65 B5R0.3 CNC(=O)CBr BB55-6801 [1,1,0,0,0,0|2,0,0]=4 66 B5R0.3 CNC(=O)CO BB58-0349 [1,1,0,0,0,0|1,0,0]=3 67 B5R0.3 CNC(C)CO BB12-1570 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.3 COC(C)C#N BB57-3722 [1,1,0,0,0,0|1,0,1]=4 69 B5R0.3 COC(C)CN BB55-4647 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.3 NNC(=O)CO BB12-3095 [1,1,0,0,0,0|1,0,0]=3 71 B5R0.3 NNC(=O)CS BB58-4379 [1,1,0,0,0,0|1,1,0]=4 72 B5R0.3 N\C(CCl)=N/O BB57-3706 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.3 N\C(CO)=N\O BB57-2423 [1,1,0,0,0,0|1,0,0]=3 74 B5R0.4 CC(C)(N)CO BB17-0635 [1,1,0,0,0,0|1,0,1]=4 75 B5R0.4 CC(C)(O)CBr BB58-5360 [1,1,0,0,0,0|1,0,1]=4 76 B7R0.2 CC(C)CC(=O)NN BB12-2655 [0,1,0,0,0,1|2,0,0]=4 77 B7R0.2 CC(C)NC(=O)CBr BB57-1138 [0,1,0,0,0,1|2,0,0]=4 78 B7R0.2 CCC(C)NC(N)=O BB01-7615 [0,1,0,0,0,1|2,0,0]=4 79 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,1,0,0,0,1|2,0,0]=4 80 B7R0.2 CNC(=O)CC(=O)O BB55-4725 [0,1,0,0,0,1|0,0,2]=4 81 B7R0.2 CNC(=O)CC(C)N BB12-1658 [0,1,0,0,0,1|2,0,0]=4 82 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,1,0,0,0,1|1,0,0]=3 83 B7R0.9 CC(C)(C)NC(N)=O BB01-7611 [0,1,0,0,0,1|2,0,0]=4 84 B7R0.9 CC(C)(C)OC(N)=O BB56-2323 [0,1,0,0,0,1|2,0,0]=4 85 B7R0.16 CC(C(=O)O)C(=O)O BB20-4558 [0,1,0,0,0,1|1,0,1]=4 86 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [0,1,0,0,0,1|2,0,0]=4 87 B7R0.5 CC(=O)N(C)CCO BB55-7164 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.5 CC(NC=O)C(=O)O BB12-1345 [0,2,0,0,0,0|0,0,1]=3 89 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [0,2,0,0,0,0|0,0,2]=4 90 B7R0.5 CCNC(=O)C(C)Cl BB55-4743 [0,2,0,0,0,0|2,0,0]=4 91 B7R0.5 CCOC(=N)C(C)C BB57-3768 [0,2,0,0,0,0|2,0,0]=4 92 B7R0.5 CCOC(=N)C(C)O BB58-1354 [0,2,0,0,0,0|1,0,0]=3 93 B7R0.5 CCOC(=O)N(C)N BB57-3659 [0,2,0,0,0,0|2,0,0]=4 94 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,2,0,0,0,0|0,1,0]=3 95 B7R0.5 CN(C)C(=O)CCO BB12-3663 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,2,0,0,0,0|1,0,0]=3 97 B7R0.10 CC(=N/O)\C(N)=N\O BB55-4954 [0,2,0,0,0,0|1,0,1]=4 98 B7R0.10 CCC(C)C(=O)NN BB55-8843 [0,2,0,0,0,0|2,0,0]=4 99 B7R0.10 CCC(N)C(=O)NO BB57-4144 [0,2,0,0,0,0|1,0,0]=3 100 B7R0.10 CNC(=O)C(C)NC BB12-3606 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.10 CNC(C)C(=O)OC BB57-2496 [0,2,0,0,0,0|1,0,0]=3 102 B7R0.10 COC(=O)C(O)CCl BB57-4961 [0,2,0,0,0,0|0,0,0]=2 103 B7R0.10 COC(=O)\C(N)=N\O BB58-1318 [0,2,0,0,0,0|1,0,1]=4 104 B7R0.10 COC(C)\C(N)=N\O BB57-3723 [0,2,0,0,0,0|1,0,0]=3 105 B7R0.13 CC(C)(CO)[N+](=O)[O-] BB58-2134 [0,2,0,0,0,0|1,0,1]=4 106 B7R0.13 CCC(C)(N)C(=O)O BB56-0974 [0,2,0,0,0,0|1,0,0]=3 107 B7R0.13 COC(C)(C)C(=O)O BB57-1085 [0,2,0,0,0,0|0,0,0]=2 108 B7R0.14 CC(C)(C)C(=O)CN BB12-1271 [0,2,0,0,0,0|2,0,0]=4 109 B7R0.14 CC(C)(C)C(=O)NN BB12-2638 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.14 CC(C)(O)C(O)CN BB58-0361 [0,2,0,0,0,0|1,0,1]=4 111 B7R0.14 CNC(=O)C(C)(C)N BB57-2984 [0,2,0,0,0,0|2,0,0]=4 112 B7R0.15 CCC(CN)C(=O)O BB58-3841 [0,2,0,0,0,0|1,0,0]=3 113 B7R0.15 CCC(NC)C(=O)O BB57-2477 [0,2,0,0,0,0|1,0,0]=3 114 B7R0.15 CCC(NC)C(N)=O BB57-1806 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.15 CCC(OC)C(=O)O BB57-2928 [0,2,0,0,0,0|0,0,0]=2 116 B7R0.15 COC(OC)C(N)=O BB58-3444 [0,2,0,0,0,0|1,0,0]=3 117 B5R1.2 O=C1CNC1 BB20-3400 [1,0,0,1,0,0|2,0,0]=4 118 B5R1.3 FCC1CO1 BB57-4956 [1,0,0,1,0,0|1,0,1]=4 119 B7R1.2 CC1CNC(=O)C1 BB58-5429 [0,0,0,1,0,1|2,0,0]=4 120 B7R1.2 CC1CNC(=O)O1 BB57-3655 [0,0,0,1,0,1|2,0,0]=4 121 B7R1.2 CC1COC(=O)N1 BB57-2454 [0,0,0,1,0,1|1,0,0]=3 122 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,0,0,1,0,1|1,0,1]=4 123 B7R1.2 O=C1C=C(O)CO1 BB54-5190 [0,0,0,1,0,1|0,0,1]=3 124 B7R1.12 O=C(O)[C@H]1C[C@@H]1F BB31-3333 [0,0,0,1,0,1|1,0,0]=3 125 B7R1.20 O=C(Cl)CC1CC1 BB57-3744 [0,0,0,1,0,1|2,0,0]=4 126 B7R1.4 NC1CCCC1=O BB58-3328 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.4 NC1CCNC1=O BB12-2184 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.18 NC(=O)C1CCC1 BB12-3033 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.18 O=C(O)C1CCN1 BB57-4884 [0,1,0,1,0,0|1,0,0]=3 130 B7R1.18 O=C(O)C1CCO1 BB31-4760 [0,1,0,1,0,0|0,0,0]=2 131 B7R1.19 NC(=O)C1(N)CC1 BB58-3762 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.22 COC(=O)C1CN1 BB58-4742 [0,1,0,1,0,0|1,0,0]=3 133 B7R1.22 N\C(=N/O)C1CC1 BB10-0038 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.22 O=C(CBr)C1CC1 BB55-6968 [0,1,0,1,0,0|2,0,0]=4 135 B7R0.6 CC(C)CNC(N)=O BB01-7595 [0,0,0,0,0,2|2,0,0]=4 136 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,0,0,0,0,2|1,0,0]=3 137 B7R0.6 CN(C)CCC(=O)O BB55-3488 [0,0,0,0,0,2|2,0,0]=4