0 B8R0.7 C#CCOCCC(=O)O BB32-2922 [1,0,0,0,0,0|2,0,1]=4 1 B10R0.96 CC(=O)CC(=O)CCC(=O)O BB31-5881 [0,1,0,0,0,0|1,0,1]=3 2 B10R1.54 O=C(O)CC1CCC(=O)C1 BB31-7997 [0,0,0,1,0,0|1,0,0]=2 3 B10R1.54 O=C(O)CC1CCC(=O)O1 BB54-4135 [0,0,0,1,0,0|0,0,0]=1 4 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 BB32-3911 [0,0,0,1,0,0|2,0,1]=4 5 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 BB31-7694 [0,0,0,1,0,0|1,0,1]=3 6 B8R0.28 CC(=O)CCOC(C)=O BB31-0205 [0,0,0,0,1,0|3,0,0]=4 7 B8R0.28 NC(=O)CCCC(N)=O BB31-6283 [0,0,0,0,1,0|2,0,0]=3 8 B8R0.28 O=C(O)CCC[N+](=O)[O-] BB31-3252 [0,0,0,0,1,0|1,0,1]=3 9 B10R0.97 CC(=O)NCSCCC(=O)O BB31-6087 [0,0,0,0,0,1|2,0,0]=3 10 B10R0.97 O=C(O)CCNCCC(=O)O BB31-7631 [0,0,0,0,0,1|0,0,0]=1 11 B7R0.1 O=CNCCNC=O BB31-6256 [2,0,0,0,0,0|2,0,0]=4 12 B7R0.4 N#CCCCC(=O)O BB31-7795 [2,0,0,0,0,0|1,0,1]=4 13 B7R0.4 NC(=O)CCCCO BB31-4574 [2,0,0,0,0,0|1,0,0]=3 14 B7R0.4 O=C([O-])COCCO BB31-2744 [2,0,0,0,0,0|1,0,1]=4 15 B9R0.2 C#CCCCCCC(=O)O BB31-8482 [1,1,0,0,0,0|1,0,1]=4 16 B9R0.4 CCCCC(C)CC(=O)O BB32-2471 [1,1,0,0,0,0|1,0,1]=4 17 B9R0.4 CCCCC(O)CC(=O)O BB31-3463 [1,1,0,0,0,0|1,0,1]=4 18 B9R0.4 CSCC[C@H](N)CC(=O)O BB31-6882 [1,1,0,0,0,0|2,0,0]=4 19 B9R0.4 CSCC[C@H](N)CC(=O)O BB32-1606 [1,1,0,0,0,0|2,0,0]=4 20 B9R0.47 C=CCCC[C@@H](N)C(=O)O BB31-8480 [1,1,0,0,0,0|1,0,0]=3 21 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O BB32-2964 [0,1,0,0,1,0|1,0,0]=3 22 B9R0.53 C\C(=C/C(=O)O)CC(=O)O BB32-3146 [0,1,0,0,1,0|0,0,2]=4 23 B9R0.53 NC(CC(=O)O)CC(=O)O BB31-7764 [0,1,0,0,1,0|0,0,0]=2 24 B9R0.53 NC(CC(=O)O)CC(=O)O BB31-7919 [0,1,0,0,1,0|0,0,0]=2 25 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O BB32-1271 [0,1,0,0,0,1|1,0,0]=3 26 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O BB31-2631 [0,2,0,0,0,0|0,0,0]=2 27 B11R0.150 NC(=O)C(Br)CCC(Br)C(N)=O BB31-4685 [0,2,0,0,0,0|2,0,0]=4 28 B9R1.2 O=C1CCC[C@@H](CO)N1 BB31-1849 [1,0,0,1,0,0|1,0,1]=4 29 B9R1.6 O=C(O)[C@H]1CNCCO1 BB31-9515 [1,0,0,1,0,0|1,0,1]=4 30 B9R1.13 O=C(O)CC1CCNC1 BB31-4791 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-4906 [1,0,0,1,0,0|1,0,1]=4 32 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-5437 [1,0,0,1,0,0|1,0,1]=4 33 B9R1.13 O=C(O)C[C@@H]1CCOC1 BB31-2581 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.41 CC1CCCC1C(=O)O BB32-2372 [1,0,0,1,0,0|1,0,1]=4 35 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O BB31-3041 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O BB32-3070 [1,0,0,1,0,0|1,0,1]=4 37 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O BB32-0417 [1,0,0,1,0,0|1,0,1]=4 38 B9R1.48 O=C1CCCNC(=O)C1 BB31-4559 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.35 O=C(O)C1CCC(O)C1 BB31-0171 [0,0,0,1,1,0|1,0,1]=4 40 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O BB31-2567 [0,0,0,1,1,0|0,0,0]=2 41 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O BB32-3765 [0,0,0,1,1,0|0,0,0]=2 42 B11R1.157 O=C(O)CN1CCNC(=O)C1 BB52-8108 [0,0,0,1,0,1|2,0,0]=4 43 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O BB52-9159 [0,0,0,1,0,1|1,0,0]=3 44 B11R1.178 O=C(O)C1CCCC1C(=O)O BB32-2317 [0,0,0,1,0,1|0,0,0]=2 45 B11R1.23 COC(=O)C1=CC(=O)CCC1 BB32-2249 [0,1,0,1,0,0|1,0,1]=4 46 B11R1.23 COC(=O)C1CCCC(=O)N1 BB31-9180 [0,1,0,1,0,0|1,0,0]=3 47 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O BB31-3453 [0,1,0,1,0,0|0,0,0]=2 48 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O BB32-2122 [0,1,0,1,0,0|0,0,0]=2 49 B11R1.21 CN1CCC(C(=O)O)CC1=O BB52-8514 [0,1,0,1,0,0|2,0,0]=4 50 B11R1.175 O=C(O)[C@@H]1CN[C@H](C(=O)O)C1 BB32-3593 [0,1,0,1,0,0|1,0,0]=3 51 B11R0.30 CC(=O)CCCCCCC(C)=O BB31-3292 [0,0,0,0,0,2|2,0,0]=4