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|1,1,0]=2 2 B8R0.28 CC(C)CNCC(C)O PHBB_SC-06892 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.28 CN(C)CCCC(=O)O PHBB_SC-06113 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.4 CCCCCC(C)=O PHBB_SC-04832 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.4 CCCCOC(=O)Cl PHBB_SC-04873 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.4 CCC\C=C/C(=O)O PHBB_NC-01804 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.4 NCCCCC(=O)O PHBB_NC-02991 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.1 COC(=O)CCNC(C)C PHBB_SC-11461 [0,1,0,0,0,0|2,0,0]=3 9 B9R0.7 C=C(C)C(=O)OCC(C)C PHBB_NC-00708 [0,1,0,0,0,0|3,0,0]=4 10 B9R0.53 CC(=O)CC(=O)OC(C)C PHBB_SC-08423 [0,1,0,0,0,0|2,0,1]=4 11 B9R1.66 CC1(C)CC(=O)CCO1 PHBB_NC-00502 [0,0,0,1,0,0|2,0,0]=3 12 B7R0.6 CC(=O)C=CC(C)C PHBB_NC-02934 [0,0,0,0,1,0|0,0,2]=3 13 B7R0.6 CC(=O)CCC(=O)O PHBB_SC-00197 [0,0,0,0,1,0|2,0,1]=4 14 B7R0.6 CC(=O)CCC(C)=O PHBB_SC-08414 [0,0,0,0,1,0|1,0,1]=3 15 B7R0.6 CC(=O)\C=C\N(C)C PHBB_SC-04066 [0,0,0,0,1,0|1,0,2]=4 16 B7R0.6 CC(C)COC(=O)Cl PHBB_SC-04950 [0,0,0,0,1,0|1,0,0]=2 17 B7R0.6 CC(C)OCC(=O)O PHBB_SC-03839 [0,0,0,0,1,0|2,0,0]=3 18 B7R0.6 CN(C)CCN(C)C PHBB_SC-06207 [0,0,0,0,1,0|3,0,0]=4 19 B6R0.4 CC(=O)CCCCl PHBB_SC-05457 [2,0,0,0,0,0|1,0,0]=3 20 B6R0.4 CC(=O)NCCN PHBB_SC-10582 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.4 CCCCC(=O)Cl PHBB_SC-04938 [2,0,0,0,0,0|1,0,0]=3 22 B6R0.4 CCCCC(C)=O PHBB_SC-04978 [2,0,0,0,0,0|0,0,0]=2 23 B6R0.4 NCCCC(=O)O PHBB_NC-03308 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.4 O=C(Cl)CCCCl PHBB_SC-04914 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.6 CCCCN=C=O PHBB_SC-04717 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.6 CCCCOC=O PHBB_SC-05072 [2,0,0,0,0,0|0,0,0]=2 27 B6R0.6 CCOCCCN PHBB_SC-04954 [2,0,0,0,0,0|1,0,1]=4 28 B8R0.6 CCCCCC(=O)CC PHBB_SC-04968 [1,1,0,0,0,0|1,0,0]=3 29 B8R0.6 COCCNC(=O)CN PHBB_SC-02366 [1,1,0,0,0,0|2,0,0]=4 30 B8R0.7 CCCCCCC(C)=O PHBB_SC-04965 [1,1,0,0,0,0|1,0,0]=3 31 B8R0.7 O=C(O)CCCCCBr PHBB_SC-05192 [1,1,0,0,0,0|2,0,0]=4 32 B8R0.8 CCCCC(Br)C(=O)O PHBB_SC-04834 [1,1,0,0,0,0|2,0,0]=4 33 B8R0.8 CCCCC(N)C(=O)O PHBB_SC-05891 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.23 CC(C)C[C@H](N)C(N)=O PHBB_NC-02069 [0,1,0,0,1,0|1,0,0]=3 35 B8R0.23 CC(O)CC(O)C(C)C PHBB_SC-07680 [0,1,0,0,1,0|0,0,2]=4 36 B10R0.3 CC(C)=CCCC(C)CCO PHBB_NC-00148 [0,2,0,0,0,0|2,0,0]=4 37 B10R0.31 CC(CC(=O)Cl)CC(C)(C)C PHBB_SC-05045 [0,2,0,0,0,0|2,0,0]=4 38 B8R1.4 CC1CCCC(=O)C1 PHBB_SC-05010 [1,0,0,1,0,0|1,0,0]=3 39 B8R1.22 NC1=NCCCCC1 PHBB_SC-06290 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.22 O=C1CCCCCN1 PHBB_SC-04792 [1,0,0,1,0,0|1,0,0]=3 41 B8R1.22 O=C1CCCCCO1 PHBB_SC-04881 [1,0,0,1,0,0|0,0,0]=2 42 B8R1.3 CC1CCC(=O)CC1 PHBB_SC-04943 [0,0,0,1,1,0|0,0,0]=2 43 B8R1.3 O=C1CCC(=O)CC1 PHBB_SC-08332 [0,0,0,1,1,0|1,0,1]=4 44 B10R1.13 CC(=O)N1CCC(N)CC1 PHBB_SC-09299 [0,1,0,1,0,0|2,0,0]=4 45 B10R1.13 CC(C)N1CCC(=O)CC1 PHBB_SC-08320 [0,1,0,1,0,0|2,0,0]=4 46 B10R1.171 CNC1CCOC(C)(C)C1 PHBB_SC-03397 [0,1,0,1,0,0|1,0,1]=4 47 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 PHBB_SC-04297 [0,1,0,1,0,0|1,0,1]=4 48 B10R1.329 CC1(C)CC(=O)C=C(N)C1 PHBB_SC-03239 [0,1,0,1,0,0|1,0,1]=4 49 B10R1.329 CC1(C)CC(=O)CC(=O)C1 PHBB_SC-04681 [0,1,0,1,0,0|1,0,1]=4 50 B10R1.329 CC1=CC(=O)CC(C)(C)C1 PHBB_NC-00036 [0,1,0,1,0,0|1,0,1]=4 51 B10R1.329 CC1CC(=O)CC(C)(C)C1 PHBB_SC-04892 [0,1,0,1,0,0|1,0,0]=3 52 B6R0.2 CC(=O)C=C(C)C PHBB_NC-02001 [0,0,0,0,2,0|0,0,2]=4 53 B6R0.2 CC(C)CC(=O)Cl PHBB_SC-08426 [0,0,0,0,2,0|1,0,0]=3 54 B6R0.2 CC(C)CC(=O)O PHBB_NC-02034 [0,0,0,0,2,0|1,0,0]=3 55 B6R0.2 CC(C)OC(=S)[S-] PHBB_SC-00202 [0,0,0,0,2,0|1,1,0]=4 56 B6R0.2 CC(O)CC(=O)O PHBB_NC-02996 [0,0,0,0,2,0|2,0,0]=4 57 B6R0.2 CN(C)CC(=O)O PHBB_SC-04767 [0,0,0,0,2,0|2,0,0]=4