0 B5R0.5 C=C(Cl)C(O)=O BCP13841 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.5 CC(C)C(C)O BCP29487 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.5 CC(C)C(N)=N BCP07536 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.5 C[C@@H](Cl)C(O)=O BCP14313 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.5 C[C@@H](N)C(C)C BCP06945 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.5 C[C](Cl)C(O)=O BCP11281 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.5 O=C(C)C([O-])=O BCP13503 [0,0,0,0,0,0|0,0,3]=3 7 B4R0.1 C#CC(N)=O BCP15743 [1,0,0,0,0,0|1,0,2]=4 8 B4R0.1 C=CC(Cl)=O BCP06212 [1,0,0,0,0,0|1,0,2]=4 9 B4R0.1 CC(C)[Mg]Cl BCP10965 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.1 CC(CBr)=O BCP06577 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 CC(Cl)C#N BCP10983 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 CC(O)C#C BCP05896 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 CC(O)CN BCP08083 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.1 C[C@@H](O)C#C BCP15480 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 C[C@@H](O)CC BCP06774 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.1 C[C@H](N)CN BCP05857 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 C[C](N)CO BCP13388 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 FC(F)CO BCP05861 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 NC(C=C)=O BCP25183 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 NC(CN)=N BCP12671 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 O=C(O)CCl BCP20585 [1,0,0,0,0,0|1,0,0]=2 22 B4R0.1 O=CC(O)=O BCP15407 [1,0,0,0,0,0|0,0,2]=3 23 B4R0.1 OC(C#C)=O BCP18740 [1,0,0,0,0,0|0,0,2]=3 24 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [0,1,0,0,0,0|1,0,0]=2 25 B6R0.3 CC[C](N)C(O)=O BCP04716 [0,1,0,0,0,0|1,0,1]=3 26 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [0,1,0,0,0,0|1,0,0]=2 27 B6R0.3 C\C=C(C)\C(O)=O BCP18945 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.3 NC(CC)C(N)=O BCP08675 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.3 N[C@H](C(O)=N)CO BCP06965 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.3 N[C](CO)C(O)=O BCP06311 [0,1,0,0,0,0|1,0,1]=3 31 B6R0.7 CC(S(N)=O)(C)C BCP14651 [0,1,0,0,0,0|3,0,0]=4 32 B6R0.7 CC([C@](N)=O)(C)C BCP01233 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.7 FC(F)(F)C(O)C BCP15883 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.2 CC(C)CC(N)=O BCP05941 [0,0,0,0,0,1|2,0,0]=3 35 B6R0.2 CC(C)NC(C)=O BCP19527 [0,0,0,0,0,1|2,0,0]=3 36 B6R0.2 CC(CC(N)=O)=O BCP19964 [0,0,0,0,0,1|1,0,2]=4 37 B6R0.2 CC(OC(C)=O)=O BCP20665 [0,0,0,0,0,1|1,0,2]=4 38 B6R0.2 CC(\C=C([O-])C)=O BCP15074 [0,0,0,0,0,1|1,0,2]=4 39 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [0,0,0,0,0,1|1,0,0]=2 40 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [0,0,0,0,0,1|1,0,0]=2 41 B6R0.2 OB(CC(C)C)O BCP12813 [0,0,0,0,0,1|2,0,1]=4 42 B6R0.2 OC(CC(O)=O)=O BCP05571 [0,0,0,0,0,1|1,0,1]=3 43 B3R0.1 C#CC=O BCP06452 [2,0,0,0,0,0|0,0,2]=4 44 B3R0.1 C=CC=O BCP07056 [2,0,0,0,0,0|0,0,2]=4 45 B3R0.1 CCCN BCP18818 [2,0,0,0,0,0|1,0,1]=4 46 B3R0.2 CB(O)O BCP10976 [2,0,0,0,0,0|1,0,0]=3 47 B3R0.2 CC(Br)Cl BCP14483 [2,0,0,0,0,0|2,0,0]=4 48 B3R0.2 CC(O)=O BCP05544 [2,0,0,0,0,0|0,0,0]=2 49 B3R0.2 OC(O)=O BCP14602 [2,0,0,0,0,0|0,0,0]=2 50 B3R0.2 O[Al](O)O BCP04783 [2,0,0,0,0,0|1,0,1]=4 51 B3R0.2 [O-]C(=O)C BCP05504 [2,0,0,0,0,0|0,0,1]=3 52 B5R0.1 CC(C)N=C=O BCP15287 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.1 CC(OCCl)=O BCP16170 [1,1,0,0,0,0|2,0,0]=4 54 B5R0.1 C[C@@H](N)CCO BCP01279 [1,1,0,0,0,0|1,0,1]=4 55 B5R0.1 C[C@@H](N)COC BCP19342 [1,1,0,0,0,0|1,0,1]=4 56 B5R0.1 NC(SCC)=N BCP20133 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.1 O=C(Cl)CCBr BCP20557 [1,1,0,0,0,0|1,0,0]=3 58 B5R0.1 O=C(Cl)CCCl BCP09962 [1,1,0,0,0,0|1,0,0]=3 59 B5R0.1 OC(CCO)=O BCP05902 [1,1,0,0,0,0|0,0,0]=2 60 B5R0.1 OC(CCS)=O BCP16636 [1,1,0,0,0,0|0,0,0]=2 61 B5R0.1 [S-]C(OCC)=S BCP29024 [1,1,0,0,0,0|0,2,0]=4 62 B5R0.3 C(C(CN)O)N BCP18704 [1,1,0,0,0,0|1,0,1]=4 63 B5R0.3 C(C(CO)N)O BCP04588 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.3 CC[C](N)CO BCP16938 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.3 NCC(CO)O BCP18703 [1,1,0,0,0,0|0,0,1]=3 66 B5R0.3 O=C(CBr)CC BCP08723 [1,1,0,0,0,0|1,0,0]=3 67 B5R0.3 O=C(NC)CBr BCP13174 [1,1,0,0,0,0|2,0,0]=4 68 B5R0.3 O=C(OC)CBr BCP06456 [1,1,0,0,0,0|1,0,0]=3 69 B5R0.3 SC(CS)CO BCP18145 [1,1,0,0,0,0|0,1,1]=4 70 B5R0.4 CC(O)(C)C#C BCP18661 [1,1,0,0,0,0|1,0,1]=4 71 B5R0.4 CC(O)(C)CN BCP16117 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.4 FC(CO)(C)F BCP15466 [1,1,0,0,0,0|1,0,1]=4 73 B5R0.4 OP(CN)(O)=O BCP11241 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.2 C[C@@H](O)CC(OC)=O BCP15245 [0,1,0,0,0,1|0,0,0]=2 75 B7R0.2 C[C](O)CC(OC)=O BCP12973 [0,1,0,0,0,1|0,0,1]=3 76 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [0,1,0,0,0,1|1,0,0]=3 77 B7R0.2 O=C(OC)C=C(C)C BCP10333 [0,1,0,0,0,1|1,0,1]=4 78 B7R0.2 O=C(OC)\C=C(N)C BCP15340 [0,1,0,0,0,1|1,0,1]=4 79 B7R0.16 CC(C)[C@@H](N)C(O)=O BCP10545 [0,1,0,0,0,1|1,0,0]=3 80 B7R0.16 C[C]([C](C(=O)O)N)O BCP16820 [0,1,0,0,0,1|0,0,1]=3 81 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O BCP08009 [0,1,0,0,0,1|0,0,0]=2 82 B7R0.16 O=C(C([O-])=O)C(C)C BCP18017 [0,1,0,0,0,1|1,0,1]=4 83 B7R0.5 C#CC[C](N)C(O)=O BCP11742 [0,2,0,0,0,0|1,0,1]=4 84 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [0,2,0,0,0,0|1,0,0]=3 85 B7R0.5 COC[C](C(O)=O)N BCP11642 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.5 NC(C(O)=O)CC=C BCP04800 [0,2,0,0,0,0|1,0,0]=3 87 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [0,2,0,0,0,0|1,0,0]=3 88 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [0,2,0,0,0,0|1,0,0]=3 89 B7R0.5 O=C(O)[C](CNC)N BCP09610 [0,2,0,0,0,0|1,0,1]=4 90 B7R0.10 COC([C@H](N)CCl)=O BCP04711 [0,2,0,0,0,0|1,0,0]=3 91 B7R0.10 COC([C](C)CO)=O BCP16617 [0,2,0,0,0,0|0,0,1]=3 92 B7R0.10 O=C(OC)[C@@H](C)CO BCP07508 [0,2,0,0,0,0|0,0,0]=2 93 B7R0.10 O=C(OC)[C](CO)N BCP15170 [0,2,0,0,0,0|1,0,1]=4 94 B7R0.10 O[C@@H](CO)C(CO)=O BCP10464 [0,2,0,0,0,0|0,0,0]=2 95 B7R0.13 C[C@](CO)(N)C(O)=O BCP10469 [0,2,0,0,0,0|0,0,0]=2 96 B7R0.13 NCC(C(=O)N)(C)C BCP04929 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.13 N[C@](C(O)=O)(CC)C BCP11781 [0,2,0,0,0,0|1,0,0]=3 98 B7R0.13 O=C(O)C(C)(C)ON BCP12073 [0,2,0,0,0,0|0,0,0]=2 99 B7R0.14 CC(C)(C)C(CBr)=O BCP19288 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.15 SC[C](N=[Se])C(O)=O BCP09581 [0,2,0,0,0,0|0,1,1]=4 101 B5R1.2 IC1COC1 BCP08336 [1,0,0,1,0,0|1,0,1]=4 102 B5R1.2 NC1COC1 BCP07405 [1,0,0,1,0,0|1,0,1]=4 103 B5R1.2 NC1COC1 BCP10369 [1,0,0,1,0,0|1,0,1]=4 104 B5R1.2 O=C1CCO1 BCP07366 [1,0,0,1,0,0|0,0,0]=2 105 B5R1.2 O=C1CNC1 BCP10186 [1,0,0,1,0,0|2,0,0]=4 106 B5R1.2 O=C1COC1 BCP05482 [1,0,0,1,0,0|1,0,0]=3 107 B5R1.2 O=C1O[Mg]O1 BCP17142 [1,0,0,1,0,0|2,0,0]=4 108 B5R1.3 C1C(O1)CCl BCP13411 [1,0,0,1,0,0|1,0,1]=4 109 B5R1.3 ClC[C@@H]1OC1 BCP08874 [1,0,0,1,0,0|1,0,1]=4 110 B7R1.2 O=C1NCC(O)C1 BCP07569 [0,0,0,1,0,1|1,0,0]=3 111 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [0,0,0,1,0,1|1,0,0]=3 112 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [0,0,0,1,0,1|1,0,0]=3 113 B7R1.20 O=C(O)CC1CC1 BCP05386 [0,0,0,1,0,1|1,0,0]=3 114 B7R1.4 C=C1CCOC1=O BCP18620 [0,1,0,1,0,0|1,0,1]=4 115 B7R1.4 N[C@H]1CCOC1=O BCP20062 [0,1,0,1,0,0|1,0,0]=3 116 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.4 OC1CCNC1=O BCP00893 [0,1,0,1,0,0|1,0,0]=3 118 B7R1.18 O=C(C1CNC1)O BCP07094 [0,1,0,1,0,0|1,0,0]=3 119 B7R1.19 CC1(CC1)C(O)=O BCP16042 [0,1,0,1,0,0|1,0,0]=3 120 B7R1.19 NC1(CC1)C(O)=O BCP05245 [0,1,0,1,0,0|1,0,0]=3 121 B7R1.22 BrCC(C1CC1)=O BCP05144 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.22 O=C(C1OC1)OC BCP18462 [0,1,0,1,0,0|0,0,0]=2 123 B7R1.22 O=C(OC)[C@@H]1CO1 BCP07553 [0,1,0,1,0,0|0,0,0]=2 124 B7R1.22 O=C([C@@H]1OC1)OC BCP16542 [0,1,0,1,0,0|0,0,0]=2 125 B7R0.6 O=C(O)CSC(F)F BCP19125 [0,0,0,0,0,2|2,0,0]=4