0 B8R0.28 CC(=O)CCC=C(C)C PHBB_NC-00154 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(C)CCOC(=S)[S-] PHBB_SC-04689 [0,0,0,0,0,0|1,2,0]=3 2 B8R0.28 CC(C)CNCC(C)O PHBB_SC-06892 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.28 CC(O)CNCC(C)O PHBB_SC-05198 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.28 CN(C)CCCC(=O)O PHBB_SC-06113 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.28 O=C(O)CNCC(=O)O PHBB_SC-09585 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 CCCCCC(C)=O PHBB_SC-04832 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.4 CCCCOC(=O)Cl PHBB_SC-04873 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 CCC\C=C/C(=O)O PHBB_NC-01804 [1,0,0,0,0,0|0,0,2]=3 9 B7R0.4 NCCCCC(=O)O PHBB_NC-02991 [1,0,0,0,0,0|1,0,0]=2 10 B9R0.1 COC(=O)CCNC(C)C PHBB_SC-11461 [0,1,0,0,0,0|1,0,0]=2 11 B9R0.53 CC(=O)CC(=O)OC(C)C PHBB_SC-08423 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 PHBB_SC-09597 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.35 O=C1CCC(C(=O)O)N1 PHBB_NC-00791 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.66 CC1(C)CC(=O)CCO1 PHBB_NC-00502 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.85 CC(C)COCC1CO1 PHBB_SC-04091 [0,0,0,1,0,0|2,0,1]=4 16 B7R0.6 CC(=O)C=CC(C)C PHBB_NC-02934 [0,0,0,0,1,0|1,0,2]=4 17 B7R0.6 CC(=O)CCC(=O)O PHBB_SC-00197 [0,0,0,0,1,0|1,0,1]=3 18 B7R0.6 CC(=O)CCC(C)=O PHBB_SC-08414 [0,0,0,0,1,0|2,0,1]=4 19 B7R0.6 CC(C)COC(=O)Cl PHBB_SC-04950 [0,0,0,0,1,0|2,0,0]=3 20 B7R0.6 CC(C)OCC(=O)O PHBB_SC-03839 [0,0,0,0,1,0|1,0,0]=2 21 B9R0.55 O=C(O)CCCCC(=O)O PHBB_SC-05131 [0,0,0,0,0,1|2,0,1]=4 22 B6R0.4 C=CCCC(=O)O PHBB_NC-03019 [2,0,0,0,0,0|0,0,2]=4 23 B6R0.4 CC(=O)CCCCl PHBB_SC-05457 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.4 CC(C)OCCCl PHBB_SC-02330 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.4 CCCCC(=O)Cl PHBB_SC-04938 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.4 CCCCC(C)=O PHBB_SC-04978 [2,0,0,0,0,0|1,0,0]=3 27 B6R0.4 CC\C=C\C(=O)O PHBB_NC-03021 [2,0,0,0,0,0|0,0,2]=4 28 B6R0.4 CN(C)CCCCl PHBB_SC-04010 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 CN(C)CCCN PHBB_SC-04668 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 CN(C)CCCO PHBB_SC-04894 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.4 NCCCC(=O)O PHBB_NC-03308 [2,0,0,0,0,0|1,0,0]=3 32 B6R0.4 O=C(Cl)CCCCl PHBB_SC-04914 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.6 CCCCCCBr PHBB_SC-04802 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.6 CCCCCCI PHBB_SC-05060 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.6 CCCCCCN PHBB_SC-04051 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.6 CCCCN=C=O PHBB_SC-04717 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.6 CCCCOC=O PHBB_SC-05072 [2,0,0,0,0,0|1,0,0]=3 38 B8R0.5 CCOC(=O)CC(=O)O PHBB_SC-04446 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.6 CCCCCC(=O)CC PHBB_SC-04968 [1,1,0,0,0,0|1,0,0]=3 40 B8R0.7 CC(C)CNCCCO PHBB_SC-06894 [1,1,0,0,0,0|0,0,1]=3 41 B8R0.7 CCCCCCC(C)=O PHBB_SC-04965 [1,1,0,0,0,0|1,0,0]=3 42 B8R0.7 O=C(O)CCCCCBr PHBB_SC-05192 [1,1,0,0,0,0|0,0,0]=2 43 B8R0.8 CCCCC(Br)C(=O)O PHBB_SC-04834 [1,1,0,0,0,0|0,0,0]=2 44 B8R0.8 CCCCC(N)C(=O)O PHBB_SC-05891 [1,1,0,0,0,0|0,0,0]=2 45 B8R0.8 CSCCC(N)C(=O)O PHBB_NC-00807 [1,1,0,0,0,0|1,0,0]=3 46 B8R0.23 CC(C)C[C@H](N)C(N)=O PHBB_NC-02069 [0,1,0,0,1,0|1,0,0]=3 47 B8R0.23 CC(O)CC(O)C(C)C PHBB_SC-07680 [0,1,0,0,1,0|1,0,1]=4 48 B10R0.98 CC(C)C(=O)NCCC(=O)O PHBB_NC-03044 [0,1,0,0,0,1|0,0,1]=3 49 B10R0.3 CCOC(=O)CCCC(C)=O PHBB_SC-07926 [0,2,0,0,0,0|1,0,1]=4 50 B10R0.59 COC(=O)CCCC(=O)OC PHBB_SC-05144 [0,2,0,0,0,0|1,0,1]=4 51 B10R0.60 CCC(C)CCCC(C)(C)O PHBB_NC-02683 [0,2,0,0,0,0|1,0,1]=4 52 B10R0.82 COC(=O)CC[C@H](N)C(=O)O PHBB_NC-03452 [0,2,0,0,0,0|1,0,1]=4 53 B10R0.31 CC(CC(=O)Cl)CC(C)(C)C PHBB_SC-05045 [0,2,0,0,0,0|1,0,0]=3 54 B8R1.1 O=C1NCC(CCl)O1 PHBB_SC-07898 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.4 CC1CCCC(=O)C1 PHBB_SC-05010 [1,0,0,1,0,0|0,0,0]=2 56 B8R1.4 CN1CCCC(O)C1 PHBB_SC-01513 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.4 O=C1CCCC(=O)C1 PHBB_SC-04957 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.7 NC(=O)C1CCCN1 PHBB_NC-01767 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.7 O=C(O)C1CCCO1 PHBB_SC-04940 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.7 O=C(O)C1CSCN1 PHBB_NC-02234 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.7 O=C(O)C1NCCS1 PHBB_SC-11671 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.22 NC1=NCCCCC1 PHBB_SC-06290 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.22 O=C1CCCCCN1 PHBB_SC-04792 [1,0,0,1,0,0|1,0,0]=3 64 B8R1.22 O=C1CCCCCO1 PHBB_SC-04881 [1,0,0,1,0,0|0,0,0]=2 65 B8R1.35 CC(C)OCC1CO1 PHBB_SC-04038 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.3 CC1CCC(=O)CC1 PHBB_SC-04943 [0,0,0,1,1,0|1,0,0]=3 67 B8R1.23 O=C1CC(C(=O)O)C1 PHBB_SC-05459 [0,0,0,1,1,0|1,0,1]=4 68 B10R1.113 NC1CCCC(C(=O)O)C1 PHBB_SC-07087 [0,0,0,1,0,1|1,0,0]=3 69 B10R1.13 CC(C)N1CCC(=O)CC1 PHBB_SC-08320 [0,1,0,1,0,0|2,0,0]=4 70 B10R1.58 CN1CC(C(=O)O)CC1=O PHBB_SC-12185 [0,1,0,1,0,0|1,0,1]=4 71 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 PHBB_SC-04388 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.329 CC1(C)CC(=O)CC(=O)C1 PHBB_SC-04681 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.329 CC1CC(=O)CC(C)(C)C1 PHBB_SC-04892 [0,1,0,1,0,0|1,0,0]=3 74 B10R1.329 CC1CC(O)CC(C)(C)C1 PHBB_NC-02248 [0,1,0,1,0,0|1,0,1]=4 75 B6R0.2 CC(C)CC(=O)Cl PHBB_SC-08426 [0,0,0,0,2,0|1,0,0]=3 76 B6R0.2 CC(C)CC(=O)O PHBB_NC-02034 [0,0,0,0,2,0|0,0,0]=2 77 B6R0.2 CC(O)CC(=O)O PHBB_NC-02996 [0,0,0,0,2,0|1,0,0]=3 78 B6R0.2 CN(C)CC(=O)O PHBB_SC-04767 [0,0,0,0,2,0|1,0,0]=3