0 B3R0.2 CC(=N)N PHBB_SC-04907 [0,0,0,0,0,0|1,0,1]=2 1 B3R0.2 CC(C)Br PHBB_SC-08401 [0,0,0,0,0,0|3,0,1]=4 2 B3R0.2 CC(C)I PHBB_SC-04988 [0,0,0,0,0,0|3,0,1]=4 3 B3R0.2 NC(=S)[S-] PHBB_SC-11174 [0,0,0,0,0,0|1,1,0]=2 4 B3R0.2 S=C(Cl)Cl PHBB_SC-04705 [0,0,0,0,0,0|2,1,0]=3 5 B2R0.1 CCI PHBB_SC-11622 [1,0,0,0,0,0|2,0,1]=4 6 B2R0.1 CNN PHBB_SC-12071 [1,0,0,0,0,0|2,0,0]=3 7 B2R0.1 CNN PHBB_SC-12179 [1,0,0,0,0,0|2,0,0]=3 8 B2R0.1 CON PHBB_SC-08331 [1,0,0,0,0,0|2,0,0]=3 9 B2R0.1 ICI PHBB_SC-04933 [1,0,0,0,0,0|2,0,1]=4 10 B2R0.1 N#CN PHBB_SC-05923 [1,0,0,0,0,0|0,0,2]=3 11 B2R0.1 N=CN PHBB_SC-04162 [1,0,0,0,0,0|0,0,1]=2 12 B4R0.1 C#CC(=O)O PHBB_SC-04700 [0,1,0,0,0,0|2,0,0]=3 13 B4R0.1 C=C(C)C#N PHBB_SC-04900 [0,1,0,0,0,0|2,0,1]=4 14 B4R0.1 CC(=O)CCl PHBB_SC-12103 [0,1,0,0,0,0|2,0,0]=3 15 B4R0.1 CC(=O)CO PHBB_SC-04985 [0,1,0,0,0,0|2,0,0]=3 16 B4R0.1 CC(C)C=O PHBB_SC-11309 [0,1,0,0,0,0|2,0,1]=4 17 B4R0.1 CC(N)CN PHBB_SC-04768 [0,1,0,0,0,0|1,0,1]=3 18 B4R0.1 CCC(=O)Cl PHBB_SC-04995 [0,1,0,0,0,0|2,0,0]=3 19 B4R0.1 CCC(C)=O PHBB_SC-05025 [0,1,0,0,0,0|2,0,0]=3 20 B4R0.1 CCC(C)N PHBB_SC-04843 [0,1,0,0,0,0|2,0,1]=4 21 B4R0.1 CNC(=N)N PHBB_SC-04744 [0,1,0,0,0,0|1,0,0]=2 22 B4R0.1 CNC(N)=O PHBB_SC-05181 [0,1,0,0,0,0|0,0,0]=1 23 B4R0.1 COC(=N)N PHBB_SC-05157 [0,1,0,0,0,0|0,0,2]=3 24 B4R0.1 COC(=O)Cl PHBB_SC-05098 [0,1,0,0,0,0|2,0,0]=3 25 B4R0.1 COC(N)=O PHBB_SC-04967 [0,1,0,0,0,0|1,0,0]=2 26 B4R0.1 CSC(=N)N PHBB_SC-05180 [0,1,0,0,0,0|0,1,1]=3 27 B4R0.1 C\C(N)=N\O PHBB_SC-06052 [0,1,0,0,0,0|1,0,1]=3 28 B4R0.1 NC(=O)CCl PHBB_SC-00189 [0,1,0,0,0,0|1,0,0]=2 29 B4R0.1 NC(=O)NO PHBB_SC-05227 [0,1,0,0,0,0|0,0,0]=1 30 B4R0.1 NNC(N)=O PHBB_SC-05160 [0,1,0,0,0,0|0,0,0]=1 31 B4R0.1 O=C(Br)CBr PHBB_SC-04910 [0,1,0,0,0,0|2,0,0]=3 32 B4R0.1 O=C(Cl)CCl PHBB_SC-04838 [0,1,0,0,0,0|2,0,0]=3 33 B4R0.1 O=C(O)CCl PHBB_SC-12050 [0,1,0,0,0,0|2,0,0]=3 34 B4R0.1 O=C(O)CI PHBB_SC-04669 [0,1,0,0,0,0|2,0,0]=3 35 B4R0.1 [C@H](C)(O)CN PHBB_NC-02041 [0,1,0,0,0,0|1,0,2]=4 36 B4R0.3 NS(N)(=O)=O PHBB_SC-11310 [0,1,0,0,0,0|1,0,0]=2 37 B4R0.3 O=P(Br)(Br)Br PHBB_SC-11625 [0,1,0,0,0,0|3,0,0]=4 38 B4R0.3 O=S(=O)(O)O PHBB_SC-04686 [0,1,0,0,0,0|3,0,0]=4 39 B4R1.2 NC1CC1 PHBB_SC-05185 [0,0,0,1,0,0|2,0,1]=4 40 B1R0.1 CI PHBB_SC-11623 [2,0,0,0,0,0|1,0,1]=4 41 B1R0.1 C[S-] PHBB_SC-08349 [2,0,0,0,0,0|0,1,1]=4 42 B1R0.1 [C-]#[O+] PHBB_SC-05200 [2,0,0,0,0,0|0,0,2]=4 43 B3R0.1 C#CCN PHBB_SC-11782 [1,1,0,0,0,0|1,0,1]=4 44 B3R0.1 C=CC#N PHBB_SC-04160 [1,1,0,0,0,0|1,0,1]=4 45 B3R0.1 CNC=O PHBB_SC-04993 [1,1,0,0,0,0|0,0,0]=2 46 B3R0.1 N#CCN PHBB_SC-04673 [1,1,0,0,0,0|0,0,2]=4 47 B3R0.1 NCCCl PHBB_SC-05201 [1,1,0,0,0,0|1,0,1]=4 48 B3R0.1 O=CC=O PHBB_SC-05186 [1,1,0,0,0,0|1,0,0]=3 49 B5R0.1 C=COC(C)=O PHBB_SC-12106 [0,2,0,0,0,0|2,0,0]=4 50 B5R0.1 CC(=O)CCO PHBB_SC-08418 [0,2,0,0,0,0|2,0,0]=4 51 B5R0.1 CCCC(=O)Cl PHBB_SC-04929 [0,2,0,0,0,0|2,0,0]=4 52 B5R0.1 CCOC(=O)Cl PHBB_SC-05103 [0,2,0,0,0,0|2,0,0]=4 53 B5R0.1 CNCC(=O)O PHBB_NC-02026 [0,2,0,0,0,0|1,0,0]=3 54 B5R0.1 CNCC(N)=O PHBB_NC-02184 [0,2,0,0,0,0|0,0,0]=2 55 B5R0.1 COCC(=O)Cl PHBB_SC-11015 [0,2,0,0,0,0|2,0,0]=4 56 B5R0.1 C\C=C\C(=O)Cl PHBB_SC-04788 [0,2,0,0,0,0|2,0,0]=4 57 B5R0.1 C\C=C\C(=O)O PHBB_NC-02030 [0,2,0,0,0,0|2,0,0]=4 58 B5R0.1 N#CCC(=O)O PHBB_SC-05140 [0,2,0,0,0,0|1,0,1]=4 59 B5R0.1 N#CCC(N)=O PHBB_SC-04829 [0,2,0,0,0,0|0,0,1]=3 60 B5R0.1 N#CCC(N)=S PHBB_SC-11173 [0,2,0,0,0,0|0,1,1]=4 61 B5R0.1 N#CN=C(N)N PHBB_SC-05174 [0,2,0,0,0,0|1,0,0]=3 62 B5R0.1 NC(=O)CCCl PHBB_SC-05035 [0,2,0,0,0,0|1,0,0]=3 63 B5R0.1 NCCC(=O)O PHBB_SC-11806 [0,2,0,0,0,0|1,0,0]=3 64 B5R0.1 O=C(Cl)CCBr PHBB_SC-05189 [0,2,0,0,0,0|2,0,0]=4 65 B5R0.1 O=C(Cl)CCCl PHBB_SC-04917 [0,2,0,0,0,0|2,0,0]=4 66 B5R0.1 O=C(O)CCCl PHBB_SC-05013 [0,2,0,0,0,0|2,0,0]=4 67 B5R0.3 C=CC(=O)OC PHBB_SC-04970 [0,2,0,0,0,0|2,0,0]=4 68 B5R0.3 CCC(=O)CC PHBB_SC-05000 [0,2,0,0,0,0|2,0,0]=4 69 B5R0.3 CCC(=O)NO PHBB_SC-04691 [0,2,0,0,0,0|1,0,0]=3 70 B5R0.3 CNC(=O)NC PHBB_SC-05175 [0,2,0,0,0,0|0,0,0]=2 71 B5R0.3 COC(=O)CN PHBB_NC-03597 [0,2,0,0,0,0|1,0,0]=3 72 B5R0.3 COC(=O)CO PHBB_SC-04640 [0,2,0,0,0,0|2,0,0]=4 73 B5R0.3 COC(=O)CS PHBB_SC-04757 [0,2,0,0,0,0|2,0,0]=4 74 B5R0.3 COC(=O)NN PHBB_SC-08462 [0,2,0,0,0,0|1,0,0]=3 75 B5R0.3 N=C(NN)NN PHBB_SC-05647 [0,2,0,0,0,0|1,0,0]=3 76 B5R0.3 NCC(O)CN PHBB_SC-04817 [0,2,0,0,0,0|0,0,2]=4 77 B5R0.3 O=C(CCl)CCl PHBB_SC-05925 [0,2,0,0,0,0|2,0,0]=4 78 B5R0.4 NCS(=O)(=O)O PHBB_SC-09586 [0,2,0,0,0,0|2,0,0]=4 79 B5R0.4 NOS(=O)(=O)O PHBB_SC-03517 [0,2,0,0,0,0|2,0,0]=4 80 B5R0.5 C=C(C)C(=O)Cl PHBB_SC-00039 [0,2,0,0,0,0|2,0,0]=4 81 B5R0.5 C=C(C)C(=O)O PHBB_NC-01983 [0,2,0,0,0,0|2,0,0]=4 82 B5R0.5 C=C(C)C(N)=O PHBB_SC-04926 [0,2,0,0,0,0|1,0,0]=3 83 B5R0.5 CC(=O)C(=O)O PHBB_SC-05182 [0,2,0,0,0,0|2,0,0]=4 84 B5R0.5 CC(=O)C(C)=O PHBB_SC-05922 [0,2,0,0,0,0|2,0,0]=4 85 B5R0.5 CC(C)C(=N)N PHBB_SC-09688 [0,2,0,0,0,0|1,0,1]=4 86 B5R0.5 CC(C)C(=O)Cl PHBB_SC-11808 [0,2,0,0,0,0|2,0,0]=4 87 B5R0.5 CC(C)C(=O)O PHBB_SC-04925 [0,2,0,0,0,0|2,0,0]=4 88 B5R0.5 CC(O)C(N)=O PHBB_SC-05061 [0,2,0,0,0,0|1,0,0]=3 89 B5R0.5 CC(S)C(=O)O PHBB_SC-06200 [0,2,0,0,0,0|2,0,0]=4 90 B5R0.5 CN(C)C(=O)Cl PHBB_SC-11014 [0,2,0,0,0,0|1,0,0]=3 91 B5R0.5 CN(C)C(=S)Cl PHBB_SC-08317 [0,2,0,0,0,0|1,1,0]=4 92 B5R0.5 CN(C)C(=S)[S-] PHBB_SC-04670 [0,2,0,0,0,0|1,1,0]=4 93 B5R0.5 C[C@H](N)C(N)=O PHBB_NC-02086 [0,2,0,0,0,0|0,0,0]=2 94 B5R0.5 C[C@H](O)C(=O)O PHBB_NC-03024 [0,2,0,0,0,0|2,0,0]=4 95 B5R0.5 N=C(/N)N(C)C PHBB_SC-08467 [0,2,0,0,0,0|1,0,0]=3 96 B5R0.5 NC(=O)C(Cl)Cl PHBB_SC-05943 [0,2,0,0,0,0|1,0,0]=3 97 B5R0.5 O=C(Cl)C(=O)Cl PHBB_SC-05112 [0,2,0,0,0,0|2,0,0]=4 98 B5R0.5 O=C(Cl)C(Cl)Cl PHBB_SC-04922 [0,2,0,0,0,0|2,0,0]=4 99 B5R0.5 O=C(O)C(Cl)Cl PHBB_SC-05023 [0,2,0,0,0,0|2,0,0]=4