0 B8R1.50 CN1CCC(Br)C1=O BB58-3454 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.50 CN1CCC(N)C1=O BB58-3639 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.2 CC1CNC(=O)C1 BB58-5429 [1,0,0,0,0,0|1,0,1]=3 3 B7R1.2 CC1CNC(=O)O1 BB57-3655 [1,0,0,0,0,0|2,0,0]=3 4 B7R1.2 CC1CNC(=S)N1 BB20-1218 [1,0,0,0,0,0|2,1,0]=4 5 B7R1.2 CC1COC(=O)N1 BB57-2454 [1,0,0,0,0,0|2,0,0]=3 6 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [1,0,0,0,0,0|1,0,1]=3 7 B7R1.2 O=C1C=C(O)CO1 BB54-5190 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [1,0,0,0,0,0|2,0,1]=4 9 B7R1.4 NC1CCCC1=O BB58-3328 [1,0,0,0,0,0|1,0,1]=3 10 B7R1.4 NC1CCNC1=O BB12-2184 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.3 CCCCC(=O)NN BB12-2550 [0,0,1,0,0,0|2,0,0]=3 12 B7R0.3 CCO\C=C(\C)C=O BB12-3547 [0,0,1,0,0,0|2,0,1]=4 13 B7R0.3 CNC(=O)CCCN BB55-7167 [0,0,1,0,0,0|3,0,0]=4 14 B7R0.3 CNCCC(=O)NC BB12-1428 [0,0,1,0,0,0|3,0,0]=4 15 B7R0.3 COCCC(=O)NN BB20-4502 [0,0,1,0,0,0|3,0,0]=4 16 B7R0.3 NNC(=O)CCCO BB55-4806 [0,0,1,0,0,0|3,0,0]=4 17 B7R0.10 CCC(C)C(=O)NN BB55-8843 [0,0,1,0,0,0|2,0,0]=3 18 B7R0.10 CCC(N)C(=O)NO BB57-4144 [0,0,1,0,0,0|2,0,1]=4 19 B7R0.10 CCN(C)C(=O)CCl BB12-2479 [0,0,1,0,0,0|2,0,1]=4 20 B7R0.10 CNC(=O)C(C)NC BB12-3606 [0,0,1,0,0,0|3,0,0]=4 21 B7R0.10 CNC(C)C(=O)OC BB57-2496 [0,0,1,0,0,0|3,0,0]=4 22 B7R0.10 COC(=O)C(=O)NN BB55-7573 [0,0,1,0,0,0|3,0,0]=4 23 B7R0.16 CC(=O)C(=O)N(C)C BB58-1081 [0,0,1,0,0,0|1,0,0]=2 24 B7R0.16 CC(Br)C(=O)N(C)C BB58-3438 [0,0,1,0,0,0|2,0,1]=4 25 B7R0.16 CC(Cl)C(=O)N(C)C BB57-0817 [0,0,1,0,0,0|2,0,1]=4 26 B7R0.16 CC(N)C(=O)N(C)C BB12-3610 [0,0,1,0,0,0|2,0,1]=4 27 B9R1.3 CC1C(=O)NCCN1C BB57-3770 [0,0,0,0,0,1|2,0,1]=4 28 B9R1.69 CC1=NNC(=O)NC1=O BB55-6920 [0,0,0,0,0,1|2,0,1]=4 29 B9R1.69 CC1CN(C)CCC1=O BB54-0258 [0,0,0,0,0,1|2,0,1]=4 30 B9R1.69 CN1C=CC(=O)NC1=O BB53-1876 [0,0,0,0,0,1|1,0,2]=4 31 B9R1.69 CN1CC(N)CCC1=O BB58-3748 [0,0,0,0,0,1|3,0,0]=4 32 B6R0.1 CCNC(=O)CBr BB57-1139 [1,0,1,0,0,0|2,0,0]=4 33 B6R0.1 CCOC(=N)CC BB57-3767 [1,0,1,0,0,0|2,0,0]=4 34 B6R0.4 CCCCC(N)=S BB31-3291 [1,0,1,0,0,0|1,1,0]=4 35 B6R0.4 CCCNC(N)=O BB01-7603 [1,0,1,0,0,0|2,0,0]=4 36 B6R0.4 CCOCC(=O)Cl BB01-8267 [1,0,1,0,0,0|2,0,0]=4 37 B6R0.4 CCSCC(=O)O BB12-3264 [1,0,1,0,0,0|1,0,1]=4 38 B6R0.4 CNCCC(=O)O BB12-1452 [1,0,1,0,0,0|1,0,1]=4 39 B6R0.4 COCCC(=O)Cl BB20-1617 [1,0,1,0,0,0|2,0,0]=4 40 B6R0.4 COCCC(C)=O BB58-1056 [1,0,1,0,0,0|1,0,1]=4 41 B6R0.4 NC(=O)CCCCl BB57-2489 [1,0,1,0,0,0|2,0,0]=4 42 B6R0.4 NCCCC(N)=O BB57-4725 [1,0,1,0,0,0|2,0,0]=4 43 B6R0.3 CC(C)C(=O)NN BB12-1583 [1,0,1,0,0,0|2,0,0]=4 44 B6R0.3 CCC(Br)C(N)=O BB55-8830 [1,0,1,0,0,0|2,0,0]=4 45 B6R0.3 CNC(=O)C(C)Br BB12-1295 [1,0,1,0,0,0|2,0,0]=4 46 B6R0.3 CNC(=O)C(C)Cl BB55-4738 [1,0,1,0,0,0|2,0,0]=4 47 B6R0.3 CNC(=O)[C@@H](C)N BB32-0279 [1,0,1,0,0,0|2,0,0]=4 48 B6R0.3 CNC(C)C(=O)O BB57-2982 [1,0,1,0,0,0|1,0,1]=4 49 B6R0.3 COC(=N)C(C)C BB12-3132 [1,0,1,0,0,0|2,0,0]=4 50 B6R0.3 COC(C)C(=O)O BB57-2927 [1,0,1,0,0,0|1,0,1]=4 51 B6R0.3 CSC(C)C(=O)O BB12-2671 [1,0,1,0,0,0|1,0,1]=4 52 B6R0.2 CC(C)=CC(=O)O BB01-7468 [1,0,1,0,0,0|1,0,1]=4 53 B6R0.2 CC(C)NC(N)=O BB01-7616 [1,0,1,0,0,0|2,0,0]=4 54 B8R0.3 CCCC(N)C(=O)NC BB55-8840 [0,1,1,0,0,0|2,0,0]=4 55 B8R0.6 CCNCCC(=O)NN BB12-1383 [0,1,1,0,0,0|2,0,0]=4 56 B8R0.6 COCCCC(=O)OC BB57-3708 [0,1,1,0,0,0|2,0,0]=4 57 B8R0.8 C=CCSC(C)C(=O)O BB12-3266 [0,1,1,0,0,0|2,0,0]=4 58 B8R0.8 CCCCC(N)C(C)=O BB54-3218 [0,1,1,0,0,0|1,0,1]=4 59 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [0,1,1,0,0,0|1,0,1]=4 60 B8R0.25 CC(C)(C=O)CCC#N BB12-1601 [0,1,1,0,0,0|1,0,1]=4 61 B8R0.2 COC(=O)C(=O)C(C)C BB57-4104 [0,1,1,0,0,0|1,0,0]=3 62 B8R0.13 CCC(C)(N)C(=O)OC BB56-0964 [0,1,1,0,0,0|2,0,0]=4 63 B8R0.20 CCC(NC)C(=O)OC BB57-2497 [0,1,1,0,0,0|2,0,0]=4 64 B8R0.27 CN(C)C(=O)C(C)(C)N BB57-1683 [0,1,1,0,0,0|2,0,0]=4 65 B8R1.1 CCC1COC(=O)N1 BB57-3665 [1,1,0,0,0,0|2,0,0]=4 66 B8R1.1 COC1=CC(=O)NC1 BB12-2206 [1,1,0,0,0,0|1,0,1]=4 67 B8R1.1 O=C1CC(CO)CN1 BB57-1047 [1,1,0,0,0,0|1,0,1]=4 68 B8R1.1 O=C1CCC(CBr)O1 BB58-1167 [1,1,0,0,0,0|1,0,0]=3 69 B8R1.1 O=C1CCC(CCl)O1 BB54-5256 [1,1,0,0,0,0|1,0,0]=3 70 B8R1.1 O=C1NCC(CBr)S1 BB54-4454 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.51 CC1(C)CC(=O)CO1 BB58-3838 [1,1,0,0,0,0|1,0,1]=4 72 B8R1.51 CC1(C)CCC(=O)N1 BB12-1604 [1,1,0,0,0,0|1,0,0]=3 73 B8R1.51 CC1(C)CNC(=O)C1 BB58-3757 [1,1,0,0,0,0|1,0,1]=4 74 B8R1.51 CC1(C)COC(=O)N1 BB12-2312 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.11 CCC1CCCC1=O BB12-2911 [1,1,0,0,0,0|0,0,1]=3 76 B8R1.11 N#CC1=C(N)CCC1 BB54-2289 [1,1,0,0,0,0|2,0,0]=4 77 B8R1.19 CC1(C)OCCC1=O BB58-3943 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.119 CC1C(=O)CCN(C)C1C BB54-0489 [0,1,0,0,0,1|1,0,1]=4 79 B10R1.176 CN1CC(CBr)CCC1=O BB58-4803 [0,1,0,0,0,1|2,0,0]=4 80 B8R1.2 O=CC1=CCCOC1 BB54-4079 [0,0,1,1,0,0|2,0,0]=4 81 B8R1.2 O=CC1CC=CCC1 BB01-8334 [0,0,1,1,0,0|1,0,0]=3 82 B8R1.5 NC1CCCCC1=O BB58-4091 [0,0,1,1,0,0|1,0,1]=4 83 B8R1.38 COC(=O)C1CCC1 BB12-2967 [0,0,1,1,0,0|2,0,0]=4 84 B8R1.38 NNC(=O)C1CCC1 BB12-2674 [0,0,1,1,0,0|2,0,0]=4 85 B8R0.23 CC(=O)CC(=O)C(C)C BB12-3661 [0,0,1,0,0,1|0,0,0]=2 86 B8R0.23 CC(C)NC(=O)C(C)N BB57-4004 [0,0,1,0,0,1|1,0,1]=4 87 B8R1.4 CC1CC(=O)CCN1 BB54-5684 [1,0,0,0,0,1|0,0,1]=3 88 B8R1.4 CC1CCCC(=O)N1 BB58-1969 [1,0,0,0,0,1|1,0,0]=3