0 B5R0.1 CC(=O)CC#N BB54-5411 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CCOC(C)=N BB12-3674 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CNCC(C)=O BB12-3010 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CNCC(C)O BB12-1288 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 COCC(N)=S BB58-4256 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.1 NC(=O)CCO BB58-1090 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 CCC(=N)N BB54-4123 [1,0,0,0,0,0|2,0,1]=4 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 B6R0.1 C#CC(=O)OCC BB53-1426 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.1 CCC\C(N)=N\O BB10-0037 [0,1,0,0,0,0|1,0,2]=4 11 B6R0.1 CCNC(=O)CBr BB57-1139 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.1 CNCC(=O)NC BB01-4880 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.1 CNCC(=O)NN BB12-1497 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.1 CNNC(=O)OC BB58-0264 [0,1,0,0,0,0|2,0,0]=3 15 B6R0.1 COC(=O)CCN BB12-2761 [0,1,0,0,0,0|1,0,2]=4 16 B6R0.1 COC(=O)CCO BB12-1300 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.1 COCC(=O)NN BB55-2156 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.1 COC\C(N)=N\O BB20-4328 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.1 CSC\C(N)=N\O BB12-3469 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.2 CC(=O)NC(=N)N BB56-2578 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.2 CC(C)=CC(=O)O BB01-7468 [0,1,0,0,0,0|0,0,0]=1 22 B6R0.2 CC(C)NC(N)=O BB01-7616 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,1,0,0,0,0|0,0,2]=3 24 B6R0.2 NC(=O)CC(=O)O BB55-4726 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.2 O=C(O)CC(F)F BB31-2950 [0,1,0,0,0,0|1,0,2]=4 26 B6R0.3 CCC(Br)C(N)=O BB55-8830 [0,1,0,0,0,0|1,0,2]=4 27 B6R0.3 CNC(C)C(=O)O BB57-2982 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.3 COC(C)C(=O)O BB57-2927 [0,1,0,0,0,0|1,0,1]=3 29 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,1,0,0,0,0|1,0,1]=3 30 B6R0.3 NC(=O)\C(N)=N\O BB12-3387 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.3 NC(CCl)C(=O)O BB57-2456 [0,1,0,0,0,0|1,0,2]=4 32 B6R0.3 NNC(=O)C(N)=O BB12-2523 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.3 O=C(O)C(O)CCl BB57-6579 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.4 CCCNC(N)=O BB01-7603 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.4 CCOCC(=O)Cl BB01-8267 [0,1,0,0,0,0|1,0,2]=4 36 B6R0.4 CCSCC(=O)O BB12-3264 [0,1,0,0,0,0|0,0,2]=3 37 B6R0.4 CNCCC(=O)O BB12-1452 [0,1,0,0,0,0|0,0,2]=3 38 B6R0.4 COCCC(=O)Cl BB20-1617 [0,1,0,0,0,0|1,0,2]=4 39 B6R0.4 COCCC(C)=O BB58-1056 [0,1,0,0,0,0|1,0,2]=4 40 B6R0.4 NC(=O)CCCCl BB57-2489 [0,1,0,0,0,0|1,0,2]=4 41 B6R0.4 NCCCC(N)=O BB57-4725 [0,1,0,0,0,0|1,0,2]=4 42 B6R0.5 CCNS(=O)(=O)O BB57-2465 [0,1,0,0,0,0|2,0,1]=4 43 B6R1.2 BrC1=CC=NS1 BB54-5514 [0,0,0,1,0,0|2,1,0]=4 44 B6R1.2 CC1=CC=NN1 BB56-1939 [0,0,0,1,0,0|3,0,0]=4 45 B6R1.2 NC1=NC=CO1 BB54-4580 [0,0,0,1,0,0|2,0,1]=4 46 B6R1.2 NC1=NNC=C1 BB54-4623 [0,0,0,1,0,0|3,0,0]=4 47 B6R1.2 O=C1NC=CN1 BB57-4795 [0,0,0,1,0,0|2,0,1]=4 48 B6R1.2 O=C1NC=NN1 BB54-5765 [0,0,0,1,0,0|3,0,0]=4 49 B6R1.2 OC1=CNN=C1 BB58-1357 [0,0,0,1,0,0|3,0,0]=4 50 B6R1.2 OC1=NC=NN1 BB57-3007 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.2 OC1=NN=CO1 BB58-1351 [0,0,0,1,0,0|3,0,0]=4 52 B6R1.2 OC1=NN=CS1 BB12-3091 [0,0,0,1,0,0|3,0,0]=4 53 B3R0.1 NNC=O BB12-2770 [2,0,0,0,0,0|2,0,0]=4 54 B3R0.1 N\C=N/O BB12-3512 [2,0,0,0,0,0|2,0,0]=4 55 B3R0.2 CS(=O)[O-] BB12-1172 [2,0,0,0,0,0|1,0,1]=4 56 B3R0.2 N[13C](N)=O BB54-5648 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.3 CC\C(N)=N\O BB12-3467 [1,1,0,0,0,0|1,0,1]=4 58 B5R0.3 CNC(=O)CBr BB55-6801 [1,1,0,0,0,0|2,0,0]=4 59 B5R0.3 CNC(=O)CO BB58-0349 [1,1,0,0,0,0|1,0,0]=3 60 B5R0.3 NNC(=O)CO BB12-3095 [1,1,0,0,0,0|2,0,0]=4 61 B5R0.5 CC(Cl)C(N)=O BB12-1307 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.2 O=CNNC=O BB12-1708 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,2,0,0,0,0|0,0,2]=4 64 B7R0.2 CNC(=O)CC(=O)O BB55-4725 [0,2,0,0,0,0|0,0,1]=3 65 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,2,0,0,0,0|0,0,2]=4 66 B7R0.2 C\C(C=O)=C\N(C)C BB12-3546 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.3 CCO\C=C(\C)C=O BB12-3547 [0,2,0,0,0,0|1,0,1]=4 68 B7R0.5 CC(NC=O)C(=O)O BB12-1345 [0,2,0,0,0,0|1,0,1]=4 69 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [0,2,0,0,0,0|0,0,1]=3 70 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,2,0,0,0,0|0,0,2]=4 71 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,2,0,0,0,0|0,0,2]=4 72 B7R0.7 CCOC(=O)CCO BB12-1446 [0,2,0,0,0,0|1,0,1]=4 73 B7R0.10 CCC(N)C(=O)NO BB57-4144 [0,2,0,0,0,0|0,0,2]=4 74 B7R0.10 CNC(=O)\C(N)=N\O BB57-2408 [0,2,0,0,0,0|2,0,0]=4 75 B7R0.10 CNC(C)C(=O)OC BB57-2496 [0,2,0,0,0,0|1,0,1]=4 76 B7R0.10 COC(=O)C(=O)NN BB55-7573 [0,2,0,0,0,0|2,0,0]=4 77 B7R0.10 COC(=O)\C(N)=N\O BB58-1318 [0,2,0,0,0,0|2,0,0]=4 78 B7R0.16 CC(=O)C(=O)N(C)C BB58-1081 [0,2,0,0,0,0|2,0,0]=4 79 B7R0.16 CC(C(=O)O)C(=O)O BB20-4558 [0,2,0,0,0,0|1,0,1]=4 80 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [0,2,0,0,0,0|1,0,1]=4 81 B7R0.13 CCC(C)(N)C(=O)O BB56-0974 [0,2,0,0,0,0|0,0,2]=4 82 B7R0.13 COC(C)(C)C(=O)O BB57-1085 [0,2,0,0,0,0|1,0,1]=4 83 B7R0.15 CCC(CN)C(=O)O BB58-3841 [0,2,0,0,0,0|0,0,2]=4 84 B7R0.15 CCC(NC)C(=O)O BB57-2477 [0,2,0,0,0,0|0,0,2]=4 85 B7R0.15 CCC(OC)C(=O)O BB57-2928 [0,2,0,0,0,0|0,0,2]=4 86 B7R0.4 C=CCSCC(=O)O BB12-3265 [0,2,0,0,0,0|0,0,2]=4 87 B7R0.4 CCCNCC(=O)O BB20-0186 [0,2,0,0,0,0|0,0,2]=4 88 B7R0.4 CCCOCC(=O)O BB55-7872 [0,2,0,0,0,0|0,0,2]=4 89 B7R0.4 CCCSCC(=O)O BB12-3263 [0,2,0,0,0,0|0,0,2]=4 90 B7R0.4 CCSCCC(=O)O BB12-3270 [0,2,0,0,0,0|0,0,2]=4 91 B7R0.4 O=C(O)CNCCO BB58-1263 [0,2,0,0,0,0|0,0,2]=4 92 B7R0.6 C=C(C)COC(C)=O BB12-2984 [0,2,0,0,0,0|1,0,1]=4 93 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [0,2,0,0,0,0|1,0,1]=4 94 B7R0.6 CC(C)=NNC(N)=O BB12-2973 [0,2,0,0,0,0|2,0,0]=4 95 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,2,0,0,0,0|0,0,2]=4 96 B7R0.6 CN(C)CCC(=O)O BB55-3488 [0,2,0,0,0,0|0,0,2]=4 97 B7R0.6 N=C(N)SCC(=O)O BB55-4565 [0,2,0,0,0,0|1,0,1]=4 98 B5R1.1 C1=CSN=C1 BB58-1903 [1,0,0,1,0,0|1,1,0]=4 99 B7R1.1 OCC1=CC=NN1 BB54-2788 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.1 OCC1=COC=C1 BB12-2281 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.1 OCC1=NNC=C1 BB05-4918 [0,1,0,1,0,0|2,0,0]=4 102 B7R1.2 BrC1=CC=C(Br)O1 BB57-2079 [0,1,0,1,0,0|1,0,1]=4 103 B7R1.2 CC1=CC(C)=NO1 BB01-6357 [0,1,0,1,0,0|1,0,0]=3 104 B7R1.2 CC1=CC(N)=NN1 BB56-0247 [0,1,0,1,0,0|2,0,0]=4 105 B7R1.2 CC1=CC=C(N)S1 BB55-4553 [0,1,0,1,0,0|1,1,0]=4 106 B7R1.2 CC1=CN=C(Br)S1 BB58-1104 [0,1,0,1,0,0|1,1,0]=4 107 B7R1.2 CC1=NC(Br)=NO1 BB12-3504 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.2 CC1=NC(Cl)=NO1 BB57-2426 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.2 CC1=NC(N)=NO1 BB12-3450 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.2 CC1=NN=C(O)O1 BB12-2756 [0,1,0,1,0,0|1,0,1]=4 111 B7R1.2 CC1=NN=C(O)S1 BB12-3088 [0,1,0,1,0,0|1,1,0]=4 112 B7R1.2 CC1=NN=C(S)O1 BB12-2764 [0,1,0,1,0,0|1,1,0]=4 113 B7R1.2 CC1=NNC(N)=C1 BB20-1156 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.2 CC1=NOC(N)=C1 BB12-3489 [0,1,0,1,0,0|1,0,0]=3 115 B7R1.2 CC1=NOC(N)=N1 BB12-3433 [0,1,0,1,0,0|2,0,0]=4 116 B7R1.2 CC1=NSC(N)=C1 BB01-7922 [0,1,0,1,0,0|1,1,0]=4 117 B7R1.2 CC1CNC(=O)O1 BB57-3655 [0,1,0,1,0,0|0,0,2]=4 118 B7R1.2 CC1COC(=O)N1 BB57-2454 [0,1,0,1,0,0|1,0,1]=4 119 B7R1.2 CN1C=CC(Br)=N1 BB54-4890 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.2 CN1C=CC(N)=N1 BB54-4712 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.2 C[N+]1=NOC([NH-])=C1 BB58-3267 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.2 NC1=CC(=O)NO1 BB54-5766 [0,1,0,1,0,0|1,0,0]=3 123 B7R1.2 NC1=CC(O)=NO1 BB57-4169 [0,1,0,1,0,0|1,0,1]=4 124 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,1,0,1,0,0|1,0,0]=3 125 B7R1.2 O=C1C=C(O)CO1 BB54-5190 [0,1,0,1,0,0|0,0,0]=2 126 B7R1.2 O=C1NC(=S)CS1 BB58-2054 [0,1,0,1,0,0|1,1,0]=4 127 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [0,1,0,1,0,0|1,0,1]=4 128 B7R1.4 CC1=CNNC1=O BB58-3426 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.22 COC(=O)C1CN1 BB58-4742 [0,1,0,1,0,0|1,0,1]=4 130 B7R1.12 O=C(O)[C@H]1C[C@@H]1F BB31-3333 [0,1,0,1,0,0|0,0,2]=4 131 B7R1.18 O=C(O)C1CCN1 BB57-4884 [0,1,0,1,0,0|0,0,2]=4 132 B7R1.18 O=C(O)C1CCO1 BB31-4760 [0,1,0,1,0,0|0,0,2]=4 133 B7R1.14 O=S1(=O)C=CCC1 BB54-3187 [0,1,0,1,0,0|1,0,1]=4