0 B4R0.1 C#CC(N)=O BCP15743 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C=CC(Cl)=O BCP06212 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 CC(CBr)=O BCP06577 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.1 CC(O)C#C BCP05896 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 CC(O)CN BCP08083 [0,0,0,0,0,0|1,0,1]=2 5 B4R0.1 C[C@@H](O)C#C BCP15480 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 C[C@@H](O)CC BCP06774 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 C[C@H](N)CN BCP05857 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 C[C](N)CO BCP13388 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 FC(F)CO BCP05861 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 NC(C=C)=O BCP25183 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 NC(CN)=N BCP12671 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 O=C(O)CCl BCP20585 [0,0,0,0,0,0|1,0,0]=1 13 B4R0.1 O=CC(O)=O BCP15407 [0,0,0,0,0,0|1,0,1]=2 14 B4R0.1 OC(C#C)=O BCP18740 [0,0,0,0,0,0|1,0,1]=2 15 B3R0.1 C#CC=O BCP06452 [1,0,0,0,0,0|1,0,1]=3 16 B3R0.1 C=CC=O BCP07056 [1,0,0,0,0,0|1,0,1]=3 17 B3R0.1 CCCN BCP18818 [1,0,0,0,0,0|1,0,1]=3 18 B3R0.1 COCCl BCP08223 [1,0,0,0,0,0|3,0,0]=4 19 B3R0.1 NCCS BCP15015 [1,0,0,0,0,0|0,1,1]=3 20 B3R0.1 NCCS BCP15033 [1,0,0,0,0,0|0,1,1]=3 21 B3R0.2 C=C(Br)F BCP15164 [1,0,0,0,0,0|2,0,1]=4 22 B3R0.2 CB(O)O BCP10976 [1,0,0,0,0,0|1,0,1]=3 23 B3R0.2 CC(Br)Cl BCP14483 [1,0,0,0,0,0|2,0,1]=4 24 B3R0.2 CC(O)=O BCP05544 [1,0,0,0,0,0|0,0,0]=1 25 B3R0.2 NC(N)=N BCP04785 [1,0,0,0,0,0|2,0,0]=3 26 B3R0.2 OC(O)=O BCP14602 [1,0,0,0,0,0|1,0,0]=2 27 B3R0.2 O[Al](O)O BCP04783 [1,0,0,0,0,0|2,0,1]=4 28 B3R0.2 [O-]C(=O)C BCP05504 [1,0,0,0,0,0|0,0,1]=2 29 B5R0.1 CC(OCCl)=O BCP16170 [0,1,0,0,0,0|2,0,0]=3 30 B5R0.1 NC(SCC)=N BCP20133 [0,1,0,0,0,0|3,0,0]=4 31 B5R0.1 NNCC(C)C BCP06610 [0,1,0,0,0,0|2,0,1]=4 32 B5R0.1 O=C(Cl)CCBr BCP20557 [0,1,0,0,0,0|2,0,0]=3 33 B5R0.1 O=C(Cl)CCCl BCP09962 [0,1,0,0,0,0|2,0,0]=3 34 B5R0.1 OC(CCO)=O BCP05902 [0,1,0,0,0,0|1,0,0]=2 35 B5R0.1 OC(CCS)=O BCP16636 [0,1,0,0,0,0|1,0,0]=2 36 B5R0.1 [S-]C(OCC)=S BCP29024 [0,1,0,0,0,0|1,2,0]=4 37 B5R0.3 C(C(CN)O)N BCP18704 [0,1,0,0,0,0|1,0,1]=3 38 B5R0.3 C(C(CO)N)O BCP04588 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.3 CC[C](N)CO BCP16938 [0,1,0,0,0,0|2,0,1]=4 40 B5R0.3 NCC(CO)O BCP18703 [0,1,0,0,0,0|0,0,2]=3 41 B5R0.3 O=C(CBr)CC BCP08723 [0,1,0,0,0,0|2,0,0]=3 42 B5R0.3 O=C(NC)CBr BCP13174 [0,1,0,0,0,0|2,0,0]=3 43 B5R0.3 O=C(OC)CBr BCP06456 [0,1,0,0,0,0|1,0,0]=2 44 B5R0.3 O[C](CCl)CN BCP08810 [0,1,0,0,0,0|1,0,1]=3 45 B5R0.3 SC(CS)CO BCP18145 [0,1,0,0,0,0|1,1,1]=4 46 B5R0.4 CC(C)(C)CN BCP11254 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.4 CC(C)(S)CN BCP10543 [0,1,0,0,0,0|1,1,1]=4 48 B5R0.4 CC(O)(C)CN BCP16117 [0,1,0,0,0,0|1,0,1]=3 49 B5R0.4 CS(=O)(NN)=O BCP10418 [0,1,0,0,0,0|2,0,1]=4 50 B5R0.4 FC(F)(F)CN BCP14597 [0,1,0,0,0,0|2,0,1]=4 51 B5R0.4 OP(CN)(O)=O BCP11241 [0,1,0,0,0,0|1,0,0]=2 52 B5R0.5 C=C(Cl)C(O)=O BCP13841 [0,1,0,0,0,0|1,0,1]=3 53 B5R0.5 CC(C)C(C)O BCP29487 [0,1,0,0,0,0|2,0,1]=4 54 B5R0.5 CC(C)C(N)=N BCP07536 [0,1,0,0,0,0|3,0,0]=4 55 B5R0.5 C[C@@H](Cl)C(O)=O BCP14313 [0,1,0,0,0,0|1,0,0]=2 56 B5R0.5 C[C@@H](N)C(C)C BCP06945 [0,1,0,0,0,0|2,0,1]=4 57 B5R0.5 C[C](Cl)C(O)=O BCP11281 [0,1,0,0,0,0|1,0,1]=3 58 B5R0.5 O=C(C)C([O-])=O BCP13503 [0,1,0,0,0,0|1,0,2]=4 59 B5R1.2 FC1CNC1 BCP14095 [0,0,0,1,0,0|2,0,1]=4 60 B5R1.2 O=C1CCO1 BCP07366 [0,0,0,1,0,0|1,0,0]=2 61 B5R1.2 O=C1CNC1 BCP10186 [0,0,0,1,0,0|1,0,0]=2 62 B5R1.2 O=C1COC1 BCP05482 [0,0,0,1,0,0|2,0,0]=3 63 B5R1.2 O=C1O[Mg]O1 BCP17142 [0,0,0,1,0,0|2,0,0]=3 64 B5R1.3 C1C(O1)CCl BCP13411 [0,0,0,1,0,0|2,0,1]=4 65 B5R1.3 ClC[C@@H]1OC1 BCP08874 [0,0,0,1,0,0|2,0,1]=4 66 B2R0.1 CC#N BCP16195 [2,0,0,0,0,0|1,0,1]=4 67 B2R0.1 CNC BCP26000 [2,0,0,0,0,0|2,0,0]=4 68 B2R0.1 CNN BCP07836 [2,0,0,0,0,0|1,0,1]=4 69 B2R0.1 CSC BCP12489 [2,0,0,0,0,0|2,0,0]=4 70 B2R0.1 FCBr BCP07051 [2,0,0,0,0,0|2,0,0]=4 71 B4R0.2 C#CCCN BCP19829 [1,1,0,0,0,0|1,0,1]=4 72 B4R0.2 C=CCON BCP19009 [1,1,0,0,0,0|1,0,0]=3 73 B4R0.2 CSCCN BCP16561 [1,1,0,0,0,0|0,1,1]=4 74 B4R0.2 NCCOC BCP15361 [1,1,0,0,0,0|0,0,1]=3 75 B4R0.2 NOCCO BCP11232 [1,1,0,0,0,0|0,0,1]=3 76 B4R0.3 CS(=O)([O-])=S BCP20562 [1,1,0,0,0,0|1,0,1]=4 77 B4R0.3 CS(C)(=N)=O BCP20442 [1,1,0,0,0,0|2,0,0]=4 78 B4R0.3 C[S+](C)(C)=O BCP13230 [1,1,0,0,0,0|2,0,0]=4 79 B4R0.3 O=S(N)(N)=O BCP13844 [1,1,0,0,0,0|1,0,1]=4 80 B4R0.3 O=S(O)(O)=O BCP13313 [1,1,0,0,0,0|2,0,0]=4 81 B4R0.3 O=S(O)([O-])=O BCP14549 [1,1,0,0,0,0|2,0,0]=4 82 B4R0.3 OP([O-])([O-])=O BCP13559 [1,1,0,0,0,0|2,0,0]=4 83 B6R0.1 O=C(C#N)OCC BCP04941 [0,2,0,0,0,0|0,0,2]=4 84 B6R0.1 O=C(C=C)OCC BCP06341 [0,2,0,0,0,0|1,0,1]=4 85 B6R0.1 O=C(OC)CCO BCP16887 [0,2,0,0,0,0|1,0,0]=3 86 B6R0.1 O=C(OC)CCS BCP16637 [0,2,0,0,0,0|1,0,0]=3 87 B6R0.1 O=C(OCC)CBr BCP04940 [0,2,0,0,0,0|1,0,0]=3 88 B6R0.2 CC(C)CC(N)=O BCP05941 [0,2,0,0,0,0|2,0,0]=4 89 B6R0.2 CC(C)NC(C)=O BCP19527 [0,2,0,0,0,0|2,0,0]=4 90 B6R0.2 CC(CC(N)=O)=O BCP19964 [0,2,0,0,0,0|1,0,0]=3 91 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [0,2,0,0,0,0|0,0,0]=2 92 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [0,2,0,0,0,0|0,0,0]=2 93 B6R0.2 OC(CC(O)=O)=O BCP05571 [0,2,0,0,0,0|1,0,0]=3 94 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [0,2,0,0,0,0|0,0,0]=2 95 B6R0.3 CC[C](N)C(O)=O BCP04716 [0,2,0,0,0,0|0,0,1]=3 96 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [0,2,0,0,0,0|1,0,0]=3 97 B6R0.3 C\C=C(C)\C(O)=O BCP18945 [0,2,0,0,0,0|1,0,1]=4 98 B6R0.3 NC(CC)C(N)=O BCP08675 [0,2,0,0,0,0|1,0,0]=3 99 B6R0.3 N[C@H](C(O)=N)CO BCP06965 [0,2,0,0,0,0|1,0,0]=3 100 B6R0.3 N[C](CO)C(O)=O BCP06311 [0,2,0,0,0,0|0,0,1]=3 101 B6R0.3 O=C(NN)C(N)=O BCP15450 [0,2,0,0,0,0|1,0,1]=4 102 B6R0.4 O=C(O)\C=C\CBr BCP11140 [0,2,0,0,0,0|1,0,0]=3 103 B6R0.4 OC(CSCC)=O BCP05241 [0,2,0,0,0,0|1,0,0]=3 104 B6R0.5 CS(CCN)(=O)=O BCP09595 [0,2,0,0,0,0|1,0,1]=4 105 B6R0.5 NCCS(=O)(=O)C BCP04141 [0,2,0,0,0,0|1,0,1]=4 106 B6R0.8 CC(CO)(C)CN BCP16960 [0,2,0,0,0,0|1,0,1]=4 107 B6R0.7 CC([C@](N)=O)(C)C BCP01233 [0,2,0,0,0,0|2,0,0]=4 108 B6R1.2 O=C1COCC1 BCP14176 [0,1,0,1,0,0|1,0,0]=3 109 B6R1.2 O=C1NCCC1 BCP15175 [0,1,0,1,0,0|2,0,0]=4 110 B6R1.2 O=C1OCC=C1 BCP15247 [0,1,0,1,0,0|1,0,1]=4 111 B6R1.2 O=C1SCCN1 BCP16484 [0,1,0,1,0,0|1,1,0]=4 112 B6R1.2 O[C@@H]1CNCC1 BCP14826 [0,1,0,1,0,0|1,0,1]=4 113 B6R1.2 O[C@@H]1CNCC1 BCP15469 [0,1,0,1,0,0|1,0,1]=4 114 B6R1.2 S=C1N=NNC1 BCP09836 [0,1,0,1,0,0|1,1,0]=4 115 B6R1.5 N[C]1C[C](O)C1 BCP16510 [0,1,0,1,0,0|1,0,1]=4 116 B6R1.5 OC1CN(C)C1 BCP20498 [0,1,0,1,0,0|1,0,1]=4