0 B8R0.28 CC(C)CNCC(=O)O BB20-0181 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.4 C=CCCNC(C)C BB58-4949 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.4 CC(=O)NCCCN BB32-2735 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.4 CC(=O)NCCCO BB12-3384 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.4 CC(C)CCCCO BB12-2305 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.4 CC(C)CCN=C=O BB01-6540 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.4 CCCCNC(C)C BB55-6366 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 CCCNCC(=O)O BB20-0186 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.4 CCCOCC(=O)O BB55-7872 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.4 CCCSCC(=O)O BB12-3263 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.4 CCOCCC(=O)Cl BB58-1931 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.4 CCO\C=C\C(C)C BB57-4132 [1,0,0,0,0,0|0,0,3]=4 13 B7R0.4 CCSCCC(=O)O BB12-3270 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.7 CC(C)N(C)CCC(=O)O BB12-3651 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O BB12-2279 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.56 CC(C)(C)SCCC(=O)O BB54-4513 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.35 CC(=O)N1CCC(O)C1 BB58-2199 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.35 CN1CCC(C(=O)O)C1 BB55-3489 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.49 CC1CCNC(=O)CC1 BB58-4537 [0,0,0,1,0,0|1,0,0]=2 20 B9R1.49 CN1CCCC(=O)CC1 BB12-1456 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.49 CN1CCNC(=O)CC1 BB57-3646 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.66 CC1(C)COCC(=O)N1 BB55-6998 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.85 O=C(O)CSCC1CC1 BB12-3262 [0,0,0,1,0,0|3,0,0]=4 24 B7R0.6 C=C(C)COC(C)=O BB12-2984 [0,0,0,0,1,0|0,0,2]=3 25 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [0,0,0,0,1,0|2,0,1]=4 26 B7R0.6 CC(C)CNC(C)C BB12-1371 [0,0,0,0,1,0|2,0,1]=4 27 B7R0.6 CC(C)CNC(N)=O BB01-7595 [0,0,0,0,1,0|2,0,0]=3 28 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,0,0,0,1,0|2,0,0]=3 29 B7R0.6 CC(N)CCN(C)C BB57-2247 [0,0,0,0,1,0|2,0,1]=4 30 B7R0.6 CC(O)CNC(C)C BB58-2123 [0,0,0,0,1,0|1,0,2]=4 31 B7R0.6 CN(C)CCC(=O)O BB55-3488 [0,0,0,0,1,0|2,0,0]=3 32 B9R0.55 CC(=O)CCCOC(C)=O BB54-0058 [0,0,0,0,0,1|1,0,1]=3 33 B9R0.55 CC(=O)NCCNC(C)=O BB20-3038 [0,0,0,0,0,1|2,0,1]=4 34 B6R0.4 C=CCNC(C)C BB12-1319 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.4 CC(C)CN=C=O BB01-8145 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.4 CCCCC(N)=S BB31-3291 [2,0,0,0,0,0|1,1,0]=4 37 B6R0.4 CCCNC(N)=O BB01-7603 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.4 CCOCC(=O)Cl BB01-8267 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.4 CCSCC(=O)O BB12-3264 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.4 CNCCC(=O)O BB12-1452 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.4 COCCC(=O)Cl BB20-1617 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.4 COCCC(C)=O BB58-1056 [2,0,0,0,0,0|1,0,0]=3 43 B6R0.4 NC(=O)CCCCl BB57-2489 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.4 NCCCC(N)=O BB57-4725 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.6 CCCCCNC BB57-3734 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.6 CCOCCNC BB57-2926 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.6 COCCCC(=O)OC BB57-3708 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.7 CC(=O)CCCOC=O BB54-0059 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.7 CCCCNCC(=O)O BB20-0185 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.7 COCCCNC(N)=O BB01-7612 [1,1,0,0,0,0|2,0,0]=4 52 B8R0.8 CCCCC(N)C(C)=O BB54-3218 [1,1,0,0,0,0|1,0,0]=3 53 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [1,1,0,0,0,0|2,0,0]=4 54 B8R0.9 CCC(N)CCC(=O)O BB57-2163 [1,1,0,0,0,0|2,0,0]=4 55 B8R0.23 CC(=O)CC(=O)C(C)C BB12-3661 [0,1,0,0,1,0|0,0,1]=3 56 B8R0.23 CC(C)CC(N)C(N)=O BB57-6612 [0,1,0,0,1,0|1,0,0]=3 57 B8R0.23 CC(C)N(C)CC(=O)O BB58-1905 [0,1,0,0,1,0|2,0,0]=4 58 B8R0.23 CC(C)[C@H](N)CC(=O)O BB01-8380 [0,1,0,0,1,0|1,0,0]=3 59 B8R0.23 CC(CC(=O)O)N(C)C BB12-1308 [0,1,0,0,1,0|2,0,0]=4 60 B8R0.23 CC(CN(C)C)C(=O)O BB12-1434 [0,1,0,0,1,0|2,0,0]=4 61 B8R0.29 CC(C)(C)CCC(=O)O BB57-2925 [0,1,0,0,1,0|1,0,0]=3 62 B8R0.29 CC(C)(N)CCC(=O)O BB12-1634 [0,1,0,0,1,0|1,0,0]=3 63 B10R0.55 CCC(=O)NCCCN(C)C BB58-5309 [0,1,0,0,0,1|2,0,0]=4 64 B8R1.1 CCC1COC(=O)N1 BB57-3665 [1,0,0,1,0,0|1,0,0]=3 65 B8R1.1 O=C1CC(CO)CN1 BB57-1047 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.4 CC1CC(=O)CCN1 BB54-5684 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.4 CC1CCCC(=O)N1 BB58-1969 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.7 CC(=O)C1CCCC1 BB55-6362 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.19 CC1(C)OCCC1=O BB58-3943 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.22 CC1CCCNCC1 BB12-1445 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.22 O=C1CCOCCN1 BB20-4217 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.22 O=C1CCSCCN1 BB57-4185 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.34 O=C(O)CC1CCC1 BB55-4828 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.72 CC1(C)CCCNC1 BB12-1606 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.3 O=C1CCS(=O)CC1 BB53-1536 [0,0,0,1,1,0|2,0,0]=4 76 B8R1.23 O=C(O)C1CC(O)C1 BB58-2196 [0,0,0,1,1,0|2,0,0]=4 77 B8R1.51 CC1(C)CC(=O)CO1 BB58-3838 [0,0,0,1,1,0|1,0,0]=3 78 B8R1.51 CC1(C)CCC(=O)N1 BB12-1604 [0,0,0,1,1,0|1,0,0]=3 79 B8R1.51 CC1(C)CNC(=O)C1 BB58-3757 [0,0,0,1,1,0|1,0,0]=3 80 B8R1.51 CC1(C)COC(=O)N1 BB12-2312 [0,0,0,1,1,0|1,0,0]=3 81 B8R1.51 CC1CCC(C)(C)N1 BB57-2455 [0,0,0,1,1,0|1,0,1]=4 82 B10R1.113 CC(=O)N1CCCC(N)C1 BB53-1618 [0,0,0,1,0,1|2,0,0]=4 83 B10R1.113 CC(=O)N1CCCC(O)C1 BB58-0084 [0,0,0,1,0,1|2,0,0]=4 84 B10R1.128 CC1(C)OCCC1C(=O)O BB58-3833 [0,0,0,1,0,1|2,0,0]=4 85 B10R1.13 CC(=O)N1CCC(O)CC1 BB12-3386 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.14 COC(=O)C1CCN(C)C1 BB57-0753 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.197 CCC1CCNC(=O)CC1 BB12-1630 [0,1,0,1,0,0|1,0,0]=3 88 B10R1.359 CC1(C)CCC(C(=O)O)O1 BB58-4799 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.470 CC(C)C1(C)CNC(=O)C1 BB55-7010 [0,1,0,1,0,0|1,0,0]=3 90 B10R1.329 CC1(C)CC(=O)C=C(N)C1 BB17-0154 [0,1,0,1,0,0|1,0,1]=4 91 B6R0.2 CC(C)NC(N)=O BB01-7616 [0,0,0,0,2,0|2,0,0]=4 92 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,0,0,0,2,0|2,0,0]=4