0 B10R0.4 CCCCSCCSC(=N)N BB54-1801 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.2 CCCCCCC[13C](=O)O BB54-5277 [1,0,0,0,0,0|0,0,0]=1 2 B9R0.2 CCCCSCCC(=O)O BB54-0237 [1,0,0,0,0,0|1,0,0]=2 3 B9R0.2 CCOCCCNC(N)=O BB01-7613 [1,0,0,0,0,0|3,0,0]=4 4 B9R0.45 CCCCCC#CCCO BB12-2262 [1,0,0,0,0,0|0,0,3]=4 5 B11R0.30 NC(=O)NCCCCCC(=O)O BB31-2601 [0,1,0,0,0,0|2,0,1]=4 6 B11R0.40 C=CS(=O)CCCCCCCC BB54-1798 [0,1,0,0,0,0|2,0,0]=3 7 B11R0.148 CCCCSCCCCC(=O)O BB54-4514 [0,1,0,0,0,0|0,0,0]=1 8 B11R0.148 O=C(O)CCOCCOCCO BB31-9991 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.86 O=C(O)CN1CCCCC1=O BB55-4756 [0,0,0,1,0,0|2,0,1]=4 10 B11R1.90 O=C(O)CCC1CCOC1=O BB54-4909 [0,0,0,1,0,0|2,0,1]=4 11 B11R1.91 NC(=O)CCN1CCNCC1 BB54-3383 [0,0,0,1,0,0|3,0,0]=4 12 B11R1.91 O=C(O)CCC1CCCCN1 BB54-4041 [0,0,0,1,0,0|1,0,0]=2 13 B11R1.91 O=C(O)CCC1CCCNC1 BB54-3377 [0,0,0,1,0,0|1,0,0]=2 14 B11R1.91 O=C(O)CCC1CCNCC1 BB55-8640 [0,0,0,1,0,0|1,0,0]=2 15 B11R1.91 O=C(O)CCN1CCOCC1 BB01-4157 [0,0,0,1,0,0|2,0,0]=3 16 B11R1.91 O=C(O)COC1CCNCC1 BB57-1740 [0,0,0,1,0,0|2,0,0]=3 17 B11R1.172 O=C(O)CCCN1CCCC1 BB31-6636 [0,0,0,1,0,0|1,0,0]=2 18 B11R1.172 O=C(O)CCNC1=NCCC1 BB52-7676 [0,0,0,1,0,0|2,0,1]=4 19 B11R1.172 O=C(O)COCC1CCCO1 BB54-1031 [0,0,0,1,0,0|2,0,0]=3 20 B11R1.193 C=CCN1CCC[C@H]1C(=O)O BB12-2694 [0,0,0,1,0,0|1,0,2]=4 21 B11R1.193 CCCN1CCCC1C(=O)O BB58-0838 [0,0,0,1,0,0|1,0,0]=2 22 B8R0.7 CCCCNCC(=O)O BB20-0185 [2,0,0,0,0,0|1,0,0]=3 23 B10R0.74 CCCCCCCC(=O)NN BB12-3109 [1,1,0,0,0,0|1,0,0]=3 24 B10R0.78 COCCN(C)CCC(=O)O BB12-3622 [1,1,0,0,0,0|2,0,0]=4 25 B10R0.71 CCCCCCCSCCO BB54-4511 [1,1,0,0,0,0|0,0,1]=3 26 B12R0.46 CCCCCCC(O)C(N)C(=O)O BB57-6961 [0,2,0,0,0,0|0,0,0]=2 27 B12R0.312 C=CS(=O)(=O)CCCCCCCC BB54-4632 [0,2,0,0,0,0|1,0,1]=4 28 B10R1.10 CCCN1CCCC(=O)C1 BB55-8107 [1,0,0,1,0,0|2,0,0]=4 29 B10R1.18 NC(=O)NC1CCCCC1 BB01-7608 [1,0,0,1,0,0|2,0,0]=4 30 B10R1.18 O=C(O)CC1CCCCN1 BB54-1500 [1,0,0,1,0,0|1,0,0]=3 31 B10R1.18 O=C(O)CC1CCCCO1 BB54-2724 [1,0,0,1,0,0|1,0,0]=3 32 B10R1.18 O=C(O)CC1CCCOC1 BB12-1753 [1,0,0,1,0,0|1,0,0]=3 33 B10R1.18 O=C(O)CC1CNCCO1 BB58-3589 [1,0,0,1,0,0|2,0,0]=4 34 B10R1.18 O=C(O)CN1CCCCC1 BB12-3617 [1,0,0,1,0,0|1,0,0]=3 35 B10R1.18 O=C(O)CN1CCCCC1 BB56-2134 [1,0,0,1,0,0|1,0,0]=3 36 B10R1.18 O=C(O)CN1CCOCC1 BB05-3789 [1,0,0,1,0,0|2,0,0]=4 37 B10R1.18 O=C(O)CN1CCOCC1 BB56-2894 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.18 O=C(O)CN1CCSCC1 BB55-4774 [1,0,0,1,0,0|2,0,0]=4 39 B10R1.39 CCN1CCC[C@H]1C(=O)O BB12-3032 [1,0,0,1,0,0|1,0,0]=3 40 B10R1.61 CN1CCCCC1C(=O)O BB54-3898 [1,0,0,1,0,0|1,0,0]=3 41 B10R1.61 NC(=O)C1CCCCC1N BB55-6549 [1,0,0,1,0,0|2,0,0]=4 42 B10R1.61 NC1CCCCC1C(=O)O BB57-4267 [1,0,0,1,0,0|1,0,0]=3 43 B10R1.61 OC(=O)[C@@H]1CCCC[C@H]1N BB01-8381 [1,0,0,1,0,0|1,0,0]=3 44 B10R1.66 O=C(O)CCC1CCCO1 BB54-2864 [1,0,0,1,0,0|1,0,0]=3 45 B10R1.66 O=C(O)CCN1CCCC1 BB05-3788 [1,0,0,1,0,0|1,0,0]=3 46 B10R1.162 O=C1CCCCC(CO)N1 BB58-2836 [1,0,0,1,0,0|2,0,0]=4 47 B10R1.348 O=C(O)C1CCCCCN1 BB58-3124 [1,0,0,1,0,0|1,0,0]=3 48 B10R1.4 CCCN1CCNCC1=O BB57-3769 [1,0,0,1,0,0|2,0,0]=4 49 B10R1.4 CN1CCCCC1CCO BB55-3532 [1,0,0,1,0,0|1,0,1]=4 50 B10R1.17 CCCCC1CCCCN1 BB56-0666 [1,0,0,1,0,0|1,0,1]=4 51 B10R1.17 NCCCC1CCCCC1 BB20-3102 [1,0,0,1,0,0|1,0,1]=4 52 B10R1.17 OCCCC1CCNCC1 BB55-3547 [1,0,0,1,0,0|1,0,1]=4 53 B10R1.17 OCCNC1CCCCC1 BB57-6993 [1,0,0,1,0,0|1,0,1]=4 54 B10R1.19 O=C1CCCCCN1CO BB54-0228 [1,0,0,1,0,0|2,0,0]=4 55 B10R1.85 CCCC1CCCCCN1 BB56-1743 [1,0,0,1,0,0|1,0,1]=4 56 B10R1.85 NCCC1CCCCCC1 BB32-2304 [1,0,0,1,0,0|1,0,1]=4 57 B12R1.107 CN(CC(=O)O)C1CCNCC1 BB57-1602 [0,1,0,1,0,0|2,0,0]=4 58 B12R1.1392 O=C(O)CN1CCCCCCC1 BB12-3673 [0,1,0,1,0,0|0,0,0]=2 59 B12R1.392 CC(C)CN1CCCC1C(=O)O BB58-2800 [0,1,0,1,0,0|1,0,0]=3 60 B12R1.392 O=C(O)C1CCCN1CC(F)F BB05-3298 [0,1,0,1,0,0|2,0,0]=4 61 B12R1.27 COC(=O)CCC1CCCNC1 BB54-3911 [0,1,0,1,0,0|1,0,0]=3 62 B12R1.27 COC(=O)CCN1CCNCC1 BB53-1549 [0,1,0,1,0,0|2,0,0]=4 63 B12R1.27 N\C(CCN1CCCCC1)=N/O BB01-3931 [0,1,0,1,0,0|2,0,0]=4 64 B12R1.477 N\C(CCCN1CCCC1)=N/O BB01-3942 [0,1,0,1,0,0|2,0,0]=4 65 B12R1.1748 O=C(CCl)NC1CCCCCC1 BB55-1779 [0,1,0,1,0,0|2,0,0]=4 66 B12R1.124 CC1CCCCN1C(C)C(=O)O BB58-0839 [0,1,0,1,0,0|1,0,0]=3 67 B12R1.279 CCCN1CCCC(C(=O)O)C1 BB58-0836 [0,1,0,1,0,0|1,0,0]=3 68 B12R1.279 O=C(O)C1CCCN(CCO)C1 BB12-2739 [0,1,0,1,0,0|2,0,0]=4 69 B12R1.2197 CC(C(=O)O)N1CCCCCC1 BB55-6122 [0,1,0,1,0,0|1,0,0]=3 70 B12R1.1009 C[C@H]1CCC[C@@H](C)N1CC(=O)O BB56-2240 [0,1,0,1,0,0|1,0,0]=3 71 B12R1.1343 O=C(O)CCN1CCCCCC1 BB12-3633 [0,1,0,1,0,0|0,0,0]=2 72 B12R1.1343 O=C(O)CNC1CCCCCC1 BB12-1316 [0,1,0,1,0,0|0,0,0]=2 73 B12R1.3110 O=C(O)C#CC1(O)CCCCC1 BB12-2170 [0,1,0,1,0,0|0,0,2]=4 74 B12R1.21 CN1CCC(CCC(=O)O)CC1 BB20-1511 [0,1,0,1,0,0|1,0,0]=3 75 B12R1.21 CN1CCN(CCC(=O)O)CC1 BB01-5693 [0,1,0,1,0,0|2,0,0]=4 76 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)O BB12-2465 [0,1,0,1,0,0|1,0,1]=4 77 B12R1.252 CC(=O)CCC=C1CCCCC1 BB54-5301 [0,1,0,1,0,0|1,0,1]=4 78 B12R1.252 CC(=O)NCCC1CCCCN1 BB54-5434 [0,1,0,1,0,0|2,0,0]=4 79 B12R1.252 NC(=O)CNCC1CCCCC1 BB20-3346 [0,1,0,1,0,0|1,0,0]=3 80 B12R1.252 O=C(O)CCCC1CCCCN1 BB54-3408 [0,1,0,1,0,0|0,0,0]=2 81 B12R1.252 O=C(O)CCCC1CCNCC1 BB12-2225 [0,1,0,1,0,0|0,0,0]=2 82 B12R1.252 O=C(O)CCCN1CCOCC1 BB55-6548 [0,1,0,1,0,0|1,0,0]=3 83 B12R2.2918 O=C1CC2(CCCCC2)CN1 BB55-7005 [0,0,0,2,0,0|2,0,0]=4 84 B12R2.2918 O=C1CCC2(CCNCC2)N1 BB31-2424 [0,0,0,2,0,0|2,0,0]=4 85 B12R2.1392 O=C(O)C1CN2CCC1CC2 BB54-4040 [0,0,0,2,0,0|1,0,0]=3 86 B12R2.1661 O=C(O)CC1CC2CCC1C2 BB57-6815 [0,0,0,2,0,0|0,0,0]=2 87 B12R2.250 O=C(O)C1CC12CCNCC2 BB12-2986 [0,0,0,2,0,0|1,0,0]=3