0 B4R1.2 CC1=CC1 LS00107 [0,0,0,0,0,0|1,0,1]=2 1 B4R1.2 C[C@@H]1CO1 LS30241 [0,0,0,0,0,0|0,0,0]=0 2 B4R1.2 C[C@H]1CO1 LS30240 [0,0,0,0,0,0|0,0,0]=0 3 B5R1.3 C1[C@@H](O1)CCl LS30047 [0,1,0,0,0,0|0,0,0]=1 4 B5R1.3 C1[C@@H](O1)CO LS30048 [0,1,0,0,0,0|0,0,0]=1 5 B5R1.3 C1[C@H](O1)CO LS30049 [0,1,0,0,0,0|0,0,0]=1 6 B5R1.3 CC[C@@H]1CO1 LS30243 [0,1,0,0,0,0|0,0,0]=1 7 B5R1.3 CC[C@H]1CO1 LS30242 [0,1,0,0,0,0|0,0,0]=1 8 B3R0.1 C(CCl)N LS40418 [0,0,1,0,0,0|2,0,0]=3 9 B3R0.1 C(CF)O LS40655 [0,0,1,0,0,0|1,0,0]=2 10 B3R0.1 C(CO)N LS41686 [0,0,1,0,0,0|1,0,0]=2 11 B3R0.1 CCNN LS40292 [0,0,1,0,0,0|2,0,0]=3 12 B3R0.1 CNOC LS41340 [0,0,1,0,0,0|1,0,0]=2 13 B3R0.2 B(C)(O)O LS11144 [0,0,1,0,0,0|2,0,0]=3 14 B3R0.2 B(O)(O)O LS41322 [0,0,1,0,0,0|3,0,0]=4 15 B3R0.2 BN(C)C LS00132 [0,0,1,0,0,0|2,0,0]=3 16 B3R0.2 C(=O)(O)[O-] LS60311 [0,0,1,0,0,0|2,0,1]=4 17 B3R0.2 CC(=O)O LS00077 [0,0,1,0,0,0|1,0,1]=3 18 B3R0.2 CC(=O)[O-] LS60288 [0,0,1,0,0,0|1,0,2]=4 19 B3R0.2 CC(=O)[O-] LS60289 [0,0,1,0,0,0|1,0,2]=4 20 B3R0.2 CC(=O)[O-] LS60314 [0,0,1,0,0,0|1,0,2]=4 21 B3R0.2 CC(C)[O-] LS60292 [0,0,1,0,0,0|0,0,1]=2 22 B3R0.2 CN(C)C LS41629 [0,0,1,0,0,0|2,0,0]=3 23 B3R0.2 CP(C)C LS41013 [0,0,1,0,0,0|2,0,0]=3 24 B3R0.2 OP(O)[O-] LS00064 [0,0,1,0,0,0|3,0,0]=4 25 B3R0.2 OP([O-])[O-] LS00019 [0,0,1,0,0,0|3,0,0]=4 26 B3R0.2 OP([O-])[O-] LS00063 [0,0,1,0,0,0|3,0,0]=4 27 B5R1.2 C1C(=O)CO1 LS41911 [0,0,0,0,0,1|1,0,1]=3 28 B5R1.2 C1C(=O)CS1 LS40394 [0,0,0,0,0,1|1,1,1]=4 29 B5R1.2 C1C(CN1)O LS40392 [0,0,0,0,0,1|2,0,0]=3 30 B5R1.2 C1C(CO1)I LS41126 [0,0,0,0,0,1|1,0,0]=2 31 B5R1.2 C1CC(=O)C1 LS40231 [0,0,0,0,0,1|2,0,1]=4 32 B4R0.1 B(CC)(O)O LS11146 [0,1,1,0,0,0|1,0,0]=3 33 B4R0.1 CC(=C)CO LS40522 [0,1,1,0,0,0|0,0,1]=3 34 B4R0.1 CC(=NO)C LS00155 [0,1,1,0,0,0|1,0,1]=4 35 B4R0.1 CC(CCl)Cl LS40550 [0,1,1,0,0,0|1,0,0]=3 36 B4R0.1 CC[C@@H](C)O LS30261 [0,1,1,0,0,0|0,0,0]=2 37 B4R0.1 CC[C@H](C)O LS30260 [0,1,1,0,0,0|0,0,0]=2 38 B4R0.1 COC(Cl)Cl LS00123 [0,1,1,0,0,0|1,0,0]=3 39 B4R0.1 C[C@@H](CCl)O LS30025 [0,1,1,0,0,0|1,0,0]=3 40 B4R0.1 C[C@@H](CO)Cl LS30257 [0,1,1,0,0,0|0,0,0]=2 41 B4R0.1 C[C@@H](CO)N LS30252 [0,1,1,0,0,0|0,0,0]=2 42 B4R0.1 C[C@@H](CO)O LS30238 [0,1,1,0,0,0|0,0,0]=2 43 B4R0.1 C[C@H](CCl)O LS30026 [0,1,1,0,0,0|1,0,0]=3 44 B4R0.1 C[C@H](CO)Cl LS30085 [0,1,1,0,0,0|0,0,0]=2 45 B4R0.1 C[C@H](CO)N LS30253 [0,1,1,0,0,0|0,0,0]=2 46 B4R0.1 C[C@H](CO)O LS30239 [0,1,1,0,0,0|0,0,0]=2 47 B4R0.2 C(CF)CF LS40664 [0,1,1,0,0,0|1,0,0]=3 48 B4R0.2 C(CN)CBr LS00114 [0,1,1,0,0,0|1,0,0]=3 49 B4R0.2 C(CO)CF LS40656 [0,1,1,0,0,0|0,0,0]=2 50 B4R0.2 C=CCCBr LS20765 [0,1,1,0,0,0|1,0,1]=4 51 B4R0.2 C=CCCO LS40761 [0,1,1,0,0,0|0,0,1]=3 52 B4R0.2 CNCCO LS40382 [0,1,1,0,0,0|0,0,0]=2 53 B4R0.2 COCCBr LS40281 [0,1,1,0,0,0|0,0,0]=2 54 B4R0.3 CC(C)(C)[O-] LS60293 [0,1,1,0,0,0|0,0,1]=3 55 B4R0.3 C[As](=O)(C)[O-] LS41740 [0,1,1,0,0,0|1,0,1]=4 56 B4R0.3 C[N+](C)(C)C LS00070 [0,1,1,0,0,0|2,0,0]=4 57 B4R0.3 C[S+](=O)(C)C LS41693 [0,1,1,0,0,0|1,0,1]=4 58 B4R0.3 C[S+](=O)(C)C LS41694 [0,1,1,0,0,0|1,0,1]=4 59 B4R0.3 C[Si](C)(C)Br LS40381 [0,1,1,0,0,0|1,1,0]=4 60 B6R1.6 C1CC(C1)CBr LS40121 [0,1,0,0,0,1|1,0,0]=3 61 B6R1.6 C1CC(C1)CN LS40614 [0,1,0,0,0,1|1,0,0]=3 62 B6R1.6 C1CC(C1)CN LS40654 [0,1,0,0,0,1|1,0,0]=3 63 B6R1.6 C1CC(C1)CO LS41574 [0,1,0,0,0,1|1,0,0]=3 64 B6R1.3 COC[C@@H]1CO1 LS30113 [0,2,0,0,0,0|0,0,0]=2 65 B6R1.7 C#CC1(CC1)N LS41861 [0,2,0,0,0,0|1,0,1]=4 66 B6R1.7 C1CC1(C#N)N LS40060 [0,2,0,0,0,0|1,0,1]=4 67 B6R1.7 CC1(CO1)CCl LS40232 [0,2,0,0,0,0|0,0,0]=2 68 B6R1.11 B(C1CC1)(O)O LS00024 [0,2,0,0,0,0|2,0,0]=4 69 B6R1.11 C1CC1C(=O)Cl LS40512 [0,2,0,0,0,0|1,0,1]=4 70 B6R1.11 C1CC1C(=O)N LS40035 [0,2,0,0,0,0|1,0,1]=4 71 B6R1.11 C1CC1C(=O)O LS41647 [0,2,0,0,0,0|1,0,1]=4 72 B6R1.2 C1CC(=O)OC1 LS40356 [0,0,0,0,0,2|1,0,1]=4 73 B6R1.2 C1CNCC1N LS20700 [0,0,0,0,0,2|2,0,0]=4 74 B6R1.2 C1CNC[C@@H]1O LS30060 [0,0,0,0,0,2|2,0,0]=4 75 B6R1.2 C1CNC[C@@H]1O LS30061 [0,0,0,0,0,2|2,0,0]=4 76 B6R1.2 C1CNC[C@H]1N LS30070 [0,0,0,0,0,2|2,0,0]=4 77 B6R1.2 C1COCC1=O LS21051 [0,0,0,0,0,2|1,0,1]=4 78 B6R1.2 C1COCC1O LS21045 [0,0,0,0,0,2|1,0,0]=3 79 B6R1.2 C1COC[C@@H]1N LS30001 [0,0,0,0,0,2|1,0,0]=3 80 B6R1.2 C1COC[C@@H]1O LS30063 [0,0,0,0,0,2|1,0,0]=3 81 B6R1.2 C1COC[C@H]1O LS30020 [0,0,0,0,0,2|1,0,0]=3 82 B6R1.2 C1COC[C@H]1O LS30064 [0,0,0,0,0,2|1,0,0]=3 83 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,0,0,2|1,0,1]=4 84 B6R1.2 Cc1cnoc1 LS20829 [0,0,0,0,0,2|0,0,2]=4