0 B8R0.8 C=CCSC(C)C(=O)O BB12-3266 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.8 CCCCC(N)C(C)=O BB54-3218 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.8 CCCOC(C)C(=O)O BB55-7871 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.3 CCCCC(N)CO BB56-2048 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.3 COCC\C(N)=N\O BB12-3470 [1,0,0,0,0,0|1,1,1]=4 6 B7R0.3 CSCCC(N)CO BB56-2047 [1,0,0,0,0,0|0,0,1]=2 7 B7R0.4 C=CCSCC(=O)O BB12-3265 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 CCCNCC(=O)O BB20-0186 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.4 CCCOCC(=O)O BB55-7872 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.4 CCCSCC(=O)O BB12-3263 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.4 CCOCCC(=O)Cl BB58-1931 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.4 CCSCCC(=O)O BB12-3270 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.4 O=C(O)CNCCO BB58-1263 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.5 CCSC(C)C(=O)O BB12-3261 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.5 CNCC(C)C(=O)O BB12-1637 [1,0,0,0,0,0|2,0,0]=3 17 B9R0.7 CC(C)=CC[C@H](N)C(=O)O BB32-0842 [0,1,0,0,0,0|1,0,1]=3 18 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O BB12-2279 [0,1,0,0,0,0|0,0,1]=2 19 B9R0.7 N=C(N)NCC(N)C(=O)O BB57-4807 [0,1,0,0,0,0|3,0,0]=4 20 B9R0.8 COC(=O)C(N)CCCN BB57-6639 [0,1,0,0,0,0|2,0,0]=3 21 B9R0.42 CCN(C)CC(C)C(=O)O BB12-1433 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.6 NC(=O)C1CCCCN1 BB57-5817 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.6 NC(=O)C1CCOCC1 BB55-7979 [0,0,0,1,0,0|2,1,0]=4 24 B9R1.6 O=C(O)C1CCCCO1 BB54-4838 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.6 O=C(O)C1CCCNC1 BB12-3026 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.6 O=C(O)C1CCCOC1 BB54-3665 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.6 O=C(O)C1CCNCC1 BB12-3027 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.6 O=C(O)C1CCSCN1 BB54-3501 [0,0,0,1,0,0|0,0,0]=1 29 B9R1.6 O=C(O)C1COCCO1 BB58-3665 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.35 C=C1CCC(C(=O)O)C1 BB58-5288 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.35 CC1=NC(C(=O)O)CC1 BB58-2824 [0,0,0,1,0,0|1,0,1]=3 32 B9R1.35 CN1CCC(C(=O)O)C1 BB55-3489 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.95 COC1CC(C(=O)O)C1 BB58-3428 [0,0,0,1,0,0|1,1,0]=3 35 B9R1.163 CC1(C(=O)O)CCCO1 BB12-1777 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.163 CC1(C(=O)O)CCOC1 BB31-0673 [0,0,0,1,0,0|1,1,0]=3 37 B9R1.163 NC1(C(=O)O)CCCC1 BB56-0255 [0,0,0,1,0,0|1,0,0]=2 38 B9R0.4 COCCN(C)CC(=O)O BB12-3659 [0,0,0,0,0,1|2,1,0]=4 39 B6R0.1 CCC\C(N)=N\O BB10-0037 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.1 CSC\C(N)=N\O BB12-3469 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.4 CCCCC(N)=S BB31-3291 [2,0,0,0,0,0|1,1,0]=4 42 B6R0.4 CCCNC(N)=O BB01-7603 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.4 CCOCC(=O)Cl BB01-8267 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.4 CCSCC(=O)O BB12-3264 [2,0,0,0,0,0|1,0,0]=3 45 B6R0.4 CNCCC(=O)O BB12-1452 [2,0,0,0,0,0|1,0,0]=3 46 B6R0.4 COCCC(=O)Cl BB20-1617 [2,0,0,0,0,0|1,1,0]=4 47 B6R0.4 COCCC(C)=O BB58-1056 [2,0,0,0,0,0|1,1,0]=4 48 B6R0.4 CSCCC(=N)N BB12-3715 [2,0,0,0,0,0|1,0,1]=4 49 B6R0.4 NC(=O)CCCCl BB57-2489 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.4 NCCCC(N)=O BB57-4725 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.3 CCC(Br)C(N)=O BB55-8830 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.3 CNC(C)C(=O)O BB57-2982 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.3 COC(C)C(=O)O BB57-2927 [2,0,0,0,0,0|1,1,0]=4 54 B6R0.3 CSC(C)C(=O)O BB12-2671 [2,0,0,0,0,0|1,0,0]=3 55 B6R0.3 NC(CCl)C(=O)O BB57-2456 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.3 O=C(O)C(O)CCl BB57-6579 [2,0,0,0,0,0|2,0,0]=4 57 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [1,1,0,0,0,0|1,0,0]=3 58 B8R0.7 CCCCNCC(=O)O BB20-0185 [1,1,0,0,0,0|1,0,0]=3 59 B8R0.7 COCCCNC(N)=O BB01-7612 [1,1,0,0,0,0|1,1,0]=4 60 B8R0.28 CC(C)CNCC(=O)O BB20-0181 [1,1,0,0,0,0|2,0,0]=4 61 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [1,1,0,0,0,0|1,0,0]=3 62 B8R0.28 NC(=O)CCCC(=O)O BB12-2466 [1,1,0,0,0,0|2,0,0]=4 63 B8R0.12 CCOC(C)(C)C(=O)O BB57-2291 [1,1,0,0,0,0|2,0,0]=4 64 B8R0.12 COCC(C)(C)C(=O)O BB58-3780 [1,1,0,0,0,0|1,1,0]=4 65 B8R0.15 CCCC(NC)C(=O)O BB57-2495 [1,1,0,0,0,0|0,0,0]=2 66 B8R0.23 CC(C)CC(N)C(N)=O BB57-6612 [1,1,0,0,0,0|1,0,0]=3 67 B8R0.23 CC(CN(C)C)C(=O)O BB12-1434 [1,1,0,0,0,0|2,0,0]=4 68 B10R0.82 NCC(O)CCC(N)C(=O)O BB57-4923 [0,2,0,0,0,0|1,0,0]=3 69 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O BB55-4258 [0,2,0,0,0,0|0,0,1]=3 70 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O BB57-6132 [0,2,0,0,0,0|0,0,1]=3 71 B10R0.83 COC(=O)C(N)CCCCN BB57-6122 [0,2,0,0,0,0|1,0,0]=3 72 B8R1.2 OCC1CCCCN1 BB56-1322 [1,0,0,1,0,0|1,0,1]=4 73 B8R1.5 NC1CCCCC1=O BB58-4091 [1,0,0,1,0,0|1,0,0]=3 74 B8R1.50 CN1CCC(Br)C1=O BB58-3454 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.50 CN1CCC(N)C1=O BB58-3639 [1,0,0,1,0,0|1,0,0]=3 76 B8R1.52 NC1(CO)CCCC1 BB56-2049 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.4 CC1CCCC(=O)N1 BB58-1969 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.7 CC(=O)C1CCCC1 BB55-6362 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.34 O=C(O)CC1CCC1 BB55-4828 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.23 O=C(O)C1CC(O)C1 BB58-2196 [1,0,0,1,0,0|1,1,0]=4 81 B8R1.78 NC1(C(=O)O)CCC1 BB57-1033 [1,0,0,1,0,0|0,0,0]=2 82 B10R1.18 O=C(O)CC1CCCCN1 BB54-1500 [0,0,0,1,0,1|1,0,0]=3 83 B10R1.18 O=C(O)CC1CCCCO1 BB54-2724 [0,0,0,1,0,1|2,0,0]=4 84 B10R1.18 O=C(O)CN1CCSCC1 BB55-4774 [0,0,0,1,0,1|2,0,0]=4 85 B10R1.54 O=C(O)CC1CCC(=O)N1 BB58-3082 [0,0,0,1,0,1|2,0,0]=4 86 B10R1.61 NC(=O)C1CCCCC1N BB55-6549 [0,0,0,1,0,1|2,0,0]=4 87 B10R1.61 NC1CC=CCC1C(=O)O BB57-4278 [0,0,0,1,0,1|1,0,1]=4 88 B10R1.61 NC1CCCCC1C(=O)O BB57-4267 [0,0,0,1,0,1|1,0,0]=3 89 B10R1.61 OC(=O)[C@@H]1CCCC[C@H]1N BB01-8381 [0,0,0,1,0,1|1,0,0]=3 90 B10R1.23 CC(C(=O)O)N1CCCC1 BB12-3371 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.13 CN1CCC(C(=O)O)CC1 BB12-2769 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.13 CN1CCC(C(=O)O)CC1 BB56-1999 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.13 O=C1CCC(C(=O)O)CN1 BB58-1718 [0,1,0,1,0,0|2,0,0]=4 94 B10R1.359 CC1(C)CCC(C(=O)O)O1 BB58-4799 [0,1,0,1,0,0|2,0,0]=4 95 B10R1.359 CC1(C)NC(C(=O)O)CS1 BB57-4281 [0,1,0,1,0,0|2,0,0]=4 96 B10R1.470 CN1CCC(C)(C(=O)O)C1 BB58-0308 [0,1,0,1,0,0|2,0,0]=4 97 B10R1.14 COC(=O)C1CCN(C)C1 BB57-0753 [0,1,0,1,0,0|2,0,0]=4 98 B10R1.15 COC(=O)C1CCCCN1 BB12-2972 [0,1,0,1,0,0|1,0,0]=3 99 B10R1.15 COC(=O)C1CNCCN1 BB20-0374 [0,1,0,1,0,0|2,0,0]=4 100 B10R1.411 COC(=O)C1(C)CCCC1 BB57-3432 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.348 O=C(O)C1CCCCCN1 BB58-3124 [0,1,0,1,0,0|1,0,0]=3 102 B10R1.477 NCC1(C(=O)O)CCCC1 BB31-9448 [0,1,0,1,0,0|1,0,0]=3 103 B10R1.113 CC1CCCC(C(=O)O)N1 BB57-2043 [0,1,0,1,0,0|1,0,0]=3 104 B10R1.113 CN1CCCC(C(=O)O)C1 BB12-2768 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.113 O=C1CSCC(C(=O)O)N1 BB01-5725 [0,1,0,1,0,0|2,0,0]=4 106 B10R1.363 CC(=O)C1(N)CCCCC1 BB54-5693 [0,1,0,1,0,0|2,0,0]=4 107 B10R1.363 CC1(C(=O)O)CCCCN1 BB57-1739 [0,1,0,1,0,0|1,0,0]=3 108 B10R1.363 CC1(C(=O)O)CCCCO1 BB12-2062 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.363 CC1(C(=O)O)CCNCC1 BB57-1762 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.363 CC1(C(=O)O)CCOCC1 BB58-0082 [0,1,0,1,0,0|1,1,0]=4 111 B10R1.363 CC1(C(=O)O)COCCO1 BB58-5287 [0,1,0,1,0,0|1,1,0]=4 112 B10R1.363 NC(=O)C1(N)CCCCC1 BB55-6848 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.363 NC1(C(=O)O)CCCCC1 BB56-0254 [0,1,0,1,0,0|1,0,0]=3 114 B10R1.363 NC1(C(=O)O)CCOCC1 BB54-4833 [0,1,0,1,0,0|0,1,0]=3 115 B10R1.363 O=C(O)C1(Cl)CCCCC1 BB17-2878 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.363 O=C(O)C1(O)CCCCC1 BB12-2041 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.363 O=C(O)C1(O)CCNCC1 BB57-2453 [0,1,0,1,0,0|2,0,0]=4