0 B5R0.3 CCC(=O)CC PHBB_SC-05000 [0,0,0,0,0,0|2,1,1]=4 1 B5R0.3 CCC(=O)NO PHBB_SC-04691 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.3 CCC(N)CO PHBB_SC-08351 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 COC(=O)CO PHBB_SC-04640 [0,0,0,0,0,0|2,1,1]=4 4 B5R0.3 COC(=O)CS PHBB_SC-04757 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.3 ClCC(Cl)CCl PHBB_SC-00447 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 NCC(O)CN PHBB_SC-04817 [0,0,0,0,0,0|2,1,0]=3 7 B5R0.3 O=C(CCl)CCl PHBB_SC-05925 [0,0,0,0,0,0|2,1,1]=4 8 B5R0.3 OCC(O)CCl PHBB_SC-04805 [0,0,0,0,0,0|1,1,0]=2 9 B4R0.1 C#CC(C)O PHBB_SC-04755 [1,0,0,0,0,0|1,1,1]=4 10 B4R0.1 CC(=O)CCl PHBB_SC-12103 [1,0,0,0,0,0|1,1,1]=4 11 B4R0.1 CC(=O)CO PHBB_SC-04985 [1,0,0,0,0,0|0,1,1]=3 12 B4R0.1 CC(C)C=O PHBB_SC-11309 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 CC(C)CBr PHBB_SC-12096 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 CC(C)CI PHBB_SC-04973 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 CC(N)CN PHBB_SC-04768 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 CC(O)CCl PHBB_SC-05016 [1,0,0,0,0,0|1,1,0]=3 17 B4R0.1 CC(O)CO PHBB_SC-05074 [1,0,0,0,0,0|0,1,0]=2 18 B4R0.1 CCC(C)=O PHBB_SC-05025 [1,0,0,0,0,0|1,1,1]=4 19 B4R0.1 CCC(C)N PHBB_SC-04843 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 CCC(C)O PHBB_SC-05058 [1,0,0,0,0,0|1,1,0]=3 21 B4R0.1 C\C(N)=N\O PHBB_SC-06052 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 O=C(O)CCl PHBB_SC-12050 [1,0,0,0,0,0|1,1,1]=4 23 B4R0.1 O=C(O)CI PHBB_SC-04669 [1,0,0,0,0,0|1,1,1]=4 24 B4R0.1 [C@H](C)(O)CN PHBB_NC-02041 [1,0,0,0,0,0|1,1,0]=3 25 B4R0.2 BrCCCBr PHBB_SC-04807 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.2 CC=CCO PHBB_NC-03012 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.2 CCCCCl PHBB_SC-05081 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.2 CCCCI PHBB_SC-04996 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.2 CCCCN PHBB_SC-04859 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.2 CNCCN PHBB_NC-03502 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.2 CNCCO PHBB_SC-04984 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.2 COCCBr PHBB_SC-08443 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.2 COCCCl PHBB_SC-05043 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.2 N#CCCBr PHBB_SC-06209 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 N#CCCO PHBB_SC-01851 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.2 NCCCBr PHBB_SC-04694 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.2 NCCCCl PHBB_SC-05190 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.2 NCCCN PHBB_NC-02031 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.2 NNCCO PHBB_SC-09795 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.2 OCCCBr PHBB_SC-05233 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.1 CCOC(=O)CS PHBB_SC-05151 [0,1,0,0,0,0|1,1,1]=4 42 B6R0.1 CNCC(O)CO PHBB_SC-02943 [0,1,0,0,0,0|1,1,0]=3 43 B6R0.3 CCC(Br)C(=O)O PHBB_SC-06206 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.3 NC(CO)C(=O)O PHBB_SC-06219 [0,1,0,0,0,0|1,1,1]=4 45 B6R0.3 N[C@@H](CS)C(=O)O PHBB_NC-02028 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.8 CC(N)(CO)CO PHBB_SC-08323 [0,1,0,0,0,0|1,1,0]=3 47 B6R1.2 NC1CCCC1 PHBB_SC-12217 [0,0,0,1,0,0|3,0,0]=4 48 B6R1.2 O=C1CCSC1 PHBB_SC-05924 [0,0,0,1,0,0|1,1,1]=4 49 B3R0.1 BrCCBr PHBB_SC-05173 [2,0,0,0,0,0|2,0,0]=4 50 B3R0.1 C#CCO PHBB_SC-04716 [2,0,0,0,0,0|0,0,2]=4 51 B3R0.1 CCCI PHBB_SC-04991 [2,0,0,0,0,0|1,0,0]=3 52 B3R0.1 ClCCBr PHBB_SC-04697 [2,0,0,0,0,0|2,0,0]=4 53 B3R0.1 NCCCl PHBB_SC-05201 [2,0,0,0,0,0|2,0,0]=4 54 B3R0.1 OCCBr PHBB_SC-05046 [2,0,0,0,0,0|1,0,0]=3 55 B3R0.1 OCCCl PHBB_SC-05088 [2,0,0,0,0,0|1,0,0]=3 56 B3R0.1 OCCF PHBB_SC-00450 [2,0,0,0,0,0|1,0,0]=3 57 B3R0.1 OCCI PHBB_SC-11764 [2,0,0,0,0,0|1,0,0]=3 58 B3R0.1 SCCS PHBB_SC-04766 [2,0,0,0,0,0|0,0,0]=2 59 B3R0.2 CC(C)Br PHBB_SC-08401 [2,0,0,0,0,0|1,0,0]=3 60 B3R0.2 CC(C)I PHBB_SC-04988 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.1 C=C(C)CCO PHBB_NC-02008 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.1 CC(=O)CCO PHBB_SC-08418 [1,1,0,0,0,0|0,1,1]=4 63 B5R0.1 CC(C)=CCO PHBB_NC-02002 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.1 CC(C)CC=O PHBB_NC-03017 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.1 CC(C)CCBr PHBB_SC-08456 [1,1,0,0,0,0|2,0,0]=4 66 B5R0.1 CC(C)CCI PHBB_SC-12249 [1,1,0,0,0,0|2,0,0]=4 67 B5R0.1 CC(C)CCS PHBB_SC-08348 [1,1,0,0,0,0|1,0,0]=3 68 B5R0.1 CC(O)CCO PHBB_SC-11802 [1,1,0,0,0,0|0,1,0]=3 69 B5R0.1 CCCC(C)O PHBB_SC-05052 [1,1,0,0,0,0|1,1,0]=4 70 B5R0.4 CC(C)(N)CO PHBB_SC-04746 [1,1,0,0,0,0|1,0,0]=3 71 B5R0.4 OCC(F)(F)F PHBB_SC-02897 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.5 CC(C)C(=O)O PHBB_SC-04925 [1,1,0,0,0,0|1,0,1]=4 73 B5R0.5 CC(S)C(=O)O PHBB_SC-06200 [1,1,0,0,0,0|0,0,1]=3 74 B5R0.5 C[C@H](O)C(=O)O PHBB_NC-03024 [1,1,0,0,0,0|0,1,1]=4 75 B5R0.2 BrCCCCBr PHBB_SC-08382 [1,1,0,0,0,0|2,0,0]=4 76 B5R0.2 CCCCC=O PHBB_NC-02017 [1,1,0,0,0,0|1,0,1]=4 77 B5R0.2 CCCCCN PHBB_SC-04890 [1,1,0,0,0,0|2,0,0]=4 78 B5R0.2 CCNCCO PHBB_SC-05148 [1,1,0,0,0,0|1,0,0]=3 79 B5R0.2 CCOCCBr PHBB_SC-08473 [1,1,0,0,0,0|2,0,0]=4 80 B5R0.2 CNCCCN PHBB_SC-05092 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.2 COCCCN PHBB_SC-04854 [1,1,0,0,0,0|1,0,0]=3 82 B5R0.2 NCCCCN PHBB_NC-01976 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.13 OCC(F)(F)C(F)F PHBB_SC-00445 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.18 CCC(N)(CO)CO PHBB_SC-05125 [0,2,0,0,0,0|1,1,0]=4 85 B7R0.18 NC(CO)(CO)CO PHBB_SC-04676 [0,2,0,0,0,0|0,2,0]=4 86 B7R0.18 NC(CO)(CO)CO PHBB_SC-11804 [0,2,0,0,0,0|0,2,0]=4 87 B5R1.3 BrCC1CC1 PHBB_SC-03547 [1,0,0,1,0,0|2,0,0]=4 88 B5R1.3 CCC1CO1 PHBB_SC-05207 [1,0,0,1,0,0|1,1,0]=4 89 B5R1.3 ClCC1CO1 PHBB_SC-04896 [1,0,0,1,0,0|1,1,0]=4 90 B5R1.3 ClC[C@H]1CO1 PHBB_SC-09799 [1,0,0,1,0,0|1,1,0]=4 91 B5R1.3 NCC1CC1 PHBB_SC-03507 [1,0,0,1,0,0|2,0,0]=4 92 B5R1.1 C1=COCC1 PHBB_SC-04752 [1,0,0,1,0,0|1,0,1]=4 93 B7R1.1 CNC1CCSC1 PHBB_SC-11641 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.1 OC[C@@H]1CCCN1 PHBB_SC-12126 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.3 OC1COCOC1 PHBB_SC-05062 [0,1,0,1,0,0|0,2,0]=4 96 B7R1.4 NC1CSCC1O PHBB_NC-01912 [0,1,0,1,0,0|1,0,0]=3 97 B7R1.4 OC1COCC1O PHBB_NC-02253 [0,1,0,1,0,0|0,2,0]=4 98 B7R1.25 CC1(CO)COC1 PHBB_SC-07934 [0,1,0,1,0,0|1,1,0]=4