0 B5R0.3 CCC(C)NC BB53-1672 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 CC\C(N)=N\O BB12-3467 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 CNC(=N)NN BB32-1370 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.3 CNC(=O)CBr BB55-6801 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 CNC(=O)CO BB58-0349 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 CNC(=S)NN BB12-2784 [0,0,0,0,0,0|3,1,0]=4 6 B5R0.3 NNC(=O)CO BB12-3095 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 NNC(=O)CS BB58-4379 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.3 N\C(CCl)=N/O BB57-3706 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.3 N\C(CO)=N\O BB57-2423 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.1 C#CC(=C)C BB54-0485 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.1 CCC(=N)N BB54-4123 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 COC(=S)[S-] BB12-3031 [1,0,0,0,0,0|2,1,0]=4 14 B4R0.1 CSC(=N)N BB01-6974 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 C\C(N)=N\O BB53-1937 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 NC(=S)CO BB58-2954 [1,0,0,0,0,0|2,1,0]=4 17 B4R0.2 CCCNN BB58-2805 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.1 C#CC(=O)OCC BB53-1426 [0,1,0,0,0,0|0,0,2]=3 19 B6R0.1 CCC\C(N)=N\O BB10-0037 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.1 CCNC(=O)CBr BB57-1139 [0,1,0,0,0,0|1,0,1]=3 21 B6R0.1 CCNC(=S)NN BB12-3098 [0,1,0,0,0,0|2,1,0]=4 22 B6R0.1 CCOC(=N)CC BB57-3767 [0,1,0,0,0,0|1,0,2]=4 23 B6R0.1 CCOC(=N)CCl BB57-3987 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.1 CNC(=O)CC#N BB12-1423 [0,1,0,0,0,0|1,0,2]=4 25 B6R0.1 CNC(=O)CCCl BB12-1619 [0,1,0,0,0,0|1,0,1]=3 26 B6R0.1 CNC(=O)CCN BB12-1715 [0,1,0,0,0,0|1,0,1]=3 27 B6R0.1 CNC(=O)CCO BB12-3660 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.1 CNCC(=O)NC BB01-4880 [0,1,0,0,0,0|1,0,1]=3 29 B6R0.1 CNCC(=O)NN BB12-1497 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.1 CNNC(=O)OC BB58-0264 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.1 COC(=O)CCN BB12-2761 [0,1,0,0,0,0|1,0,1]=3 32 B6R0.1 COC(=O)CCO BB12-1300 [0,1,0,0,0,0|1,0,1]=3 33 B6R0.1 COCC(=O)NN BB55-2156 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.1 COC\C(N)=N\O BB20-4328 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.1 CSC\C(N)=N\O BB12-3469 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.1 N\C(CCO)=N/O BB12-3471 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.3 CC(C)C(=N)NN BB58-0378 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.3 CC(C)C(=O)NN BB12-1583 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.3 CC(C)\C(N)=N\O BB53-1938 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.3 CC(O)\C(N)=N\O BB57-3710 [0,1,0,0,0,0|3,0,0]=4 41 B6R0.3 CCC(Br)C(N)=O BB55-8830 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.3 CN(C)C(=O)CBr BB57-2931 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.3 CN(C)C(=O)CO BB12-3698 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.3 CN(C)C(=O)NN BB12-2766 [0,1,0,0,0,0|3,0,0]=4 45 B6R0.3 CNC(=O)C(C)Br BB12-1295 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.3 CNC(=O)C(C)Cl BB55-4738 [0,1,0,0,0,0|1,0,1]=3 47 B6R0.3 CNC(=O)[C@@H](C)N BB32-0279 [0,1,0,0,0,0|1,0,1]=3 48 B6R0.3 COC(=N)C(C)C BB12-3132 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.3 COC(=O)N(C)N BB12-2783 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.3 NNC(=O)C(F)F BB58-4045 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.3 NNC(=O)C(N)=O BB12-2523 [0,1,0,0,0,0|3,0,0]=4 52 B6R0.8 C=CC(C)(C)CO BB57-4301 [0,1,0,0,0,0|2,0,1]=4 53 B6R1.2 BrC1=CC=NS1 BB54-5514 [0,0,0,1,0,0|3,0,0]=4 54 B6R1.2 CC1=CC=NN1 BB56-1939 [0,0,0,1,0,0|3,0,0]=4 55 B6R1.2 NC1=NNC=C1 BB54-4623 [0,0,0,1,0,0|3,0,0]=4 56 B6R1.2 O=C1NC=CN1 BB57-4795 [0,0,0,1,0,0|2,0,1]=4 57 B6R1.2 O=C1NC=NN1 BB54-5765 [0,0,0,1,0,0|3,0,0]=4 58 B3R0.1 NNC=O BB12-2770 [2,0,0,0,0,0|2,0,0]=4 59 B3R0.1 [C-]#[N+]CC BB56-1802 [2,0,0,0,0,0|1,0,1]=4 60 B3R0.2 CS(=O)[O-] BB12-1172 [2,0,0,0,0,0|2,0,0]=4 61 B3R0.2 N[13C](N)=O BB54-5648 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 C=C(C)CNN BB57-2407 [1,1,0,0,0,0|2,0,0]=4 63 B5R0.1 CC(=O)CC#N BB54-5411 [1,1,0,0,0,0|0,0,2]=4 64 B5R0.1 CCOC(C)=N BB12-3674 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.1 CNCC(C)=O BB12-3010 [1,1,0,0,0,0|0,0,1]=3 66 B5R0.1 COCC(N)=S BB58-4256 [1,1,0,0,0,0|1,1,0]=4 67 B5R0.1 CS(=O)CCN BB55-5915 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.1 NC(=O)CCO BB58-1090 [1,1,0,0,0,0|1,0,0]=3 69 B5R0.5 CC(C)C(=N)N BB20-1445 [1,1,0,0,0,0|2,0,0]=4 70 B5R0.5 CC(Cl)C(N)=O BB12-1307 [1,1,0,0,0,0|1,0,0]=3 71 B5R0.5 CC(O)C(=N)N BB58-0260 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.2 C=COCCN BB57-6790 [1,1,0,0,0,0|1,0,0]=3 73 B7R0.2 CC(C)CC(=O)NN BB12-2655 [0,2,0,0,0,0|2,0,0]=4 74 B7R0.2 CC(C)NC(=O)CBr BB57-1138 [0,2,0,0,0,0|1,0,1]=4 75 B7R0.2 CNC(=O)CC(=O)O BB55-4725 [0,2,0,0,0,0|1,0,1]=4 76 B7R0.2 CNC(=O)CC(C)N BB12-1658 [0,2,0,0,0,0|1,0,1]=4 77 B7R0.3 C=CCNC(=O)CCl BB17-2019 [0,2,0,0,0,0|1,0,0]=3 78 B7R0.3 CCC(=O)NCCN BB12-2323 [0,2,0,0,0,0|0,0,2]=4 79 B7R0.3 CCCCC(=O)NN BB12-2550 [0,2,0,0,0,0|2,0,0]=4 80 B7R0.3 CCO\C=C(\C)C=O BB12-3547 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.3 CNC(=O)CCCN BB55-7167 [0,2,0,0,0,0|1,0,1]=4 82 B7R0.3 CNCCC(=O)NC BB12-1428 [0,2,0,0,0,0|1,0,1]=4 83 B7R0.3 COCCC(=O)NN BB20-4502 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.3 NNC(=O)CCCO BB55-4806 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.3 O=C(CCl)NCCCl BB57-4227 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [0,2,0,0,0,0|1,0,0]=3 87 B7R0.5 CCNC(=O)C(C)Cl BB55-4743 [0,2,0,0,0,0|0,0,2]=4 88 B7R0.5 CCOC(=O)N(C)N BB57-3659 [0,2,0,0,0,0|1,0,1]=4 89 B7R0.5 CN(C)C(=O)CCCl BB12-1527 [0,2,0,0,0,0|1,0,1]=4 90 B7R0.5 CN(C)C(=O)CCN BB57-3998 [0,2,0,0,0,0|1,0,1]=4 91 B7R0.5 CN(C)C(=O)CCO BB12-3663 [0,2,0,0,0,0|1,0,1]=4 92 B7R0.5 CNCC(=O)N(C)C BB57-3999 [0,2,0,0,0,0|1,0,1]=4 93 B7R0.7 CCOC(=O)CCO BB12-1446 [0,2,0,0,0,0|0,0,2]=4 94 B7R0.7 CCOC(=O)CNN BB05-1938 [0,2,0,0,0,0|1,0,1]=4 95 B7R0.7 [C-]#[N+]CC(=O)OCC BB56-1762 [0,2,0,0,0,0|0,0,2]=4 96 B7R0.10 CCC(C)C(=O)NN BB55-8843 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.10 CCC(N)C(=O)NO BB57-4144 [0,2,0,0,0,0|2,0,0]=4 98 B7R0.10 CCN(C)C(=O)CCl BB12-2479 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.10 CNC(=O)C(C)NC BB12-3606 [0,2,0,0,0,0|1,0,1]=4 100 B7R0.10 CNC(=O)\C(N)=N\O BB57-2408 [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|1,0,1]=4 102 B7R0.10 COC(=O)C(=O)NN BB55-7573 [0,2,0,0,0,0|2,0,0]=4 103 B7R0.10 COC(=O)C(O)CCl BB57-4961 [0,2,0,0,0,0|1,0,1]=4 104 B7R0.10 COC(=O)\C(N)=N\O BB58-1318 [0,2,0,0,0,0|2,0,0]=4 105 B7R0.14 CC(C)(C)C(=O)CN BB12-1271 [0,2,0,0,0,0|1,0,1]=4 106 B7R0.14 CC(C)(C)C(=O)NN BB12-2638 [0,2,0,0,0,0|2,0,0]=4 107 B7R0.14 CNC(=O)C(C)(C)N BB57-2984 [0,2,0,0,0,0|1,0,1]=4 108 B7R0.16 CC(=O)C(=O)N(C)C BB58-1081 [0,2,0,0,0,0|1,0,1]=4 109 B7R0.16 CC(Br)C(=O)N(C)C BB58-3438 [0,2,0,0,0,0|1,0,1]=4 110 B7R0.16 CC(Cl)C(=O)N(C)C BB57-0817 [0,2,0,0,0,0|1,0,1]=4 111 B7R0.16 CC(N)C(=O)N(C)C BB12-3610 [0,2,0,0,0,0|1,0,1]=4 112 B5R1.2 O=C1CNC1 BB20-3400 [1,0,0,1,0,0|1,0,1]=4 113 B5R1.1 C1=CSN=C1 BB58-1903 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.1 CCC1=CNN=C1 BB12-3535 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.1 CCC1=NNC=C1 BB12-3522 [0,1,0,1,0,0|1,0,0]=3 116 B7R1.1 CCC1=NNC=N1 BB12-3398 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.1 ClCC1=CN=CS1 BB58-0522 [0,1,0,1,0,0|1,1,0]=4 118 B7R1.1 ClCC1=NC=CS1 BB55-8274 [0,1,0,1,0,0|1,1,0]=4 119 B7R1.1 ClCC1=NOC=C1 BB54-1831 [0,1,0,1,0,0|1,0,1]=4 120 B7R1.1 NCC1=CC=NN1 BB01-4712 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.1 NCC1=CN=CS1 BB57-0140 [0,1,0,1,0,0|1,1,0]=4 122 B7R1.1 NCC1=CSC=C1 BB55-8318 [0,1,0,1,0,0|1,1,0]=4 123 B7R1.1 NCC1=CSC=N1 BB57-0139 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.1 NCC1=NC=CN1 BB12-2726 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.1 NCC1=NC=CS1 BB55-3479 [0,1,0,1,0,0|1,1,0]=4 126 B7R1.1 NCC1=NNC=C1 BB05-1327 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.1 OCC1=CC=NN1 BB54-2788 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.1 OCC1=COC=C1 BB12-2281 [0,1,0,1,0,0|1,0,1]=4 129 B7R1.1 OCC1=NNC=C1 BB05-4918 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.2 CC1=CC=C(N)S1 BB55-4553 [0,1,0,1,0,0|1,0,1]=4 131 B7R1.2 CC1CNC(=O)C1 BB58-5429 [0,1,0,1,0,0|1,0,1]=4 132 B7R1.2 CC1CNC(=O)O1 BB57-3655 [0,1,0,1,0,0|1,0,1]=4 133 B7R1.2 CC1COC(=O)N1 BB57-2454 [0,1,0,1,0,0|1,0,1]=4 134 B7R1.2 CN1C=CC(Br)=N1 BB54-4890 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.2 CN1C=CC(N)=N1 BB54-4712 [0,1,0,1,0,0|2,0,0]=4 136 B7R1.2 NC1=CC(=O)NO1 BB54-5766 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,1,0,1,0,0|0,0,0]=2 138 B7R1.2 O=C1C=C(O)CO1 BB54-5190 [0,1,0,1,0,0|1,0,0]=3 139 B7R1.2 O=C1CNC(=S)N1 BB20-3124 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.2 O=C1NC(=S)CS1 BB58-2054 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [0,1,0,1,0,0|1,0,0]=3 142 B7R1.3 CC1=CCNCC1 BB57-2457 [0,1,0,1,0,0|1,0,1]=4 143 B7R1.3 O=C1CNCCN1 BB54-4362 [0,1,0,1,0,0|1,0,1]=4 144 B7R1.3 O=C1CSCCN1 BB20-1255 [0,1,0,1,0,0|1,0,1]=4 145 B7R1.4 CC1=C(Br)SC=C1 BB56-2325 [0,1,0,1,0,0|1,0,1]=4 146 B7R1.4 CC1=CN=CN1C BB58-5003 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.4 CC1=CNNC1=O BB58-3426 [0,1,0,1,0,0|1,0,1]=4 148 B7R1.4 CN1N=CC=C1Br BB58-0095 [0,1,0,1,0,0|2,0,0]=4 149 B7R1.4 CN1N=CC=C1N BB05-2488 [0,1,0,1,0,0|2,0,0]=4 150 B7R1.4 NC1CCCC1=O BB58-3328 [0,1,0,1,0,0|0,0,2]=4 151 B7R1.4 NC1CCNC1=O BB12-2184 [0,1,0,1,0,0|1,0,1]=4 152 B7R1.22 COC(=O)C1CN1 BB58-4742 [0,1,0,1,0,0|1,0,1]=4 153 B7R1.22 O=C(CBr)C1CC1 BB55-6968 [0,1,0,1,0,0|1,0,1]=4 154 B7R1.22 O=C(CCl)N1CC1 BB57-2872 [0,1,0,1,0,0|1,0,1]=4 155 B7R1.14 O=S1(=O)C=CCC1 BB54-3187 [0,1,0,1,0,0|1,0,0]=3