0 B8R0.8 CCCCC(=O)C(=O)O BB31-4311 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.8 CCCCC(=O)[C@H](C)N BB31-2998 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.5 CC(C)C(C)CCO BB31-7531 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.5 CC(C)C(N)CCO BB31-5763 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.5 CC(C)N(C)CCO BB31-4522 [1,0,0,0,0,0|3,0,0]=4 5 B9R0.3 CC(C)(Br)C(=O)OCCO BB31-4077 [0,1,0,0,0,0|2,0,0]=3 6 B9R0.3 CC(C)(C)C(=O)NCCO BB31-7840 [0,1,0,0,0,0|1,0,0]=2 7 B9R0.3 CC(C)(C)C(=O)SCCO BB31-8023 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.40 CC1(C)CCCNC1=O BB32-1436 [0,0,0,1,0,0|2,0,0]=3 9 B9R1.69 C[C@@H]1NC(=O)CNC1=O BB32-2306 [0,0,0,1,0,0|1,0,2]=4 10 B9R1.112 O=C(O)C(=O)NC1CC1 BB31-3741 [0,0,0,1,0,0|2,0,1]=4 11 B6R0.1 CCCC(=O)CCl BB31-4027 [2,0,0,0,0,0|2,0,0]=4 12 B6R0.1 NNC(=O)CCO BB31-4269 [2,0,0,0,0,0|2,0,0]=4 13 B6R0.4 CC(=O)CCCBr BB31-6000 [2,0,0,0,0,0|2,0,0]=4 14 B6R0.4 NCCNC(N)=O BB32-3910 [2,0,0,0,0,0|2,0,0]=4 15 B6R0.6 OCCNCCCl BB31-4678 [2,0,0,0,0,0|1,0,1]=4 16 B8R0.9 CCC(=O)NCC(C)C BB32-3399 [1,1,0,0,0,0|1,0,0]=3 17 B8R0.19 COC(=O)N[C@@H](C)CN BB31-0922 [1,1,0,0,0,0|2,0,0]=4 18 B8R1.1 C=CC1CCC(=O)N1 BB31-7031 [1,0,0,1,0,0|1,0,1]=4 19 B8R1.1 NCC1CCC(=O)N1 BB31-5970 [1,0,0,1,0,0|1,0,0]=3 20 B8R1.1 O=C1N[C@@H](CI)CO1 BB31-2803 [1,0,0,1,0,0|2,0,0]=4 21 B8R1.1 O=C1N[C@H](CO)CO1 BB31-1953 [1,0,0,1,0,0|1,0,0]=3 22 B8R1.1 OC[C@H]1C[C@H](O)CN1 BB31-0253 [1,0,0,1,0,0|1,0,1]=4 23 B8R1.2 CC[C@@H]1COCCN1 BB31-8706 [1,0,0,1,0,0|1,0,1]=4 24 B8R1.2 CC[C@@H]1COCCN1 BB32-1053 [1,0,0,1,0,0|1,0,1]=4 25 B8R1.3 CC1CNC(=O)CO1 BB31-1811 [1,0,0,1,0,0|1,0,0]=3 26 B8R1.3 NC1CCC(=O)NC1 BB31-0976 [1,0,0,1,0,0|1,0,0]=3 27 B8R1.3 N[C@@H]1CCC(=O)NC1 BB31-0068 [1,0,0,1,0,0|1,0,0]=3 28 B8R1.3 O=C1CC[C@@H](O)CN1 BB31-0348 [1,0,0,1,0,0|0,0,0]=2 29 B8R1.5 NC1CCCNC1=O BB52-8540 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.5 O=C1NCCCC1Br BB32-1567 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.22 O=C1CCCOCC1 BB32-3102 [1,0,0,1,0,0|1,0,0]=3 32 B8R1.22 O=C1CNCCCN1 BB31-5486 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.22 O=C1CNCCCN1 BB31-6324 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.38 O=C(CBr)N1CCC1 BB31-6413 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.4 C[C@H]1CNC[C@H](C)O1 BB31-4452 [1,0,0,1,0,0|1,0,1]=4 36 B8R1.4 O[C@H]1CCC[C@@H](O)C1 BB31-4741 [1,0,0,1,0,0|1,0,1]=4 37 B8R1.7 CC(C)C1=NCCO1 BB31-5692 [1,0,0,1,0,0|1,0,1]=4 38 B8R1.72 CC1(C)CNCCO1 BB31-3353 [1,0,0,1,0,0|1,0,1]=4 39 B8R1.54 CC(Br)C(=O)C1CC1 BB32-2128 [1,0,0,1,0,0|2,0,0]=4 40 B10R1.16 CC1=CC(NCCO)=NO1 BB53-0636 [0,0,0,1,0,1|1,0,1]=4 41 B10R1.36 O=C1N[C@H](CO)CC1(F)F BB32-1030 [0,1,0,1,0,0|1,0,0]=3 42 B10R1.23 CC(Br)C(=O)N1CCCC1 BB52-9873 [0,1,0,1,0,0|2,0,0]=4 43 B10R1.23 CC(N)C(=O)N1CCCC1 BB32-1230 [0,1,0,1,0,0|2,0,0]=4 44 B10R1.81 CC(C)C(=O)N1CC(O)C1 BB31-5460 [0,1,0,1,0,0|1,0,0]=3 45 B10R1.211 O=C(O)CNC(=O)C1CC1 BB32-3441 [0,1,0,1,0,0|1,0,1]=4 46 B10R1.230 CCC1(C)NCCNC1=O BB52-8150 [0,1,0,1,0,0|2,0,0]=4