0 B5R0.1 CC(OCCl)=O BCP16170 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 CN(CCBr)C BCP20000 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.1 C[C@@H](N)CCO BCP01279 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 C[C@@H](N)COC BCP19342 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 NC(SCC)=N BCP20133 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.1 O=C(Cl)CCBr BCP20557 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.1 O=C(Cl)CCCl BCP09962 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 OC(CCO)=O BCP05902 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.1 OC(CCS)=O BCP16636 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.1 [S-]C(OCC)=S BCP29024 [0,0,0,0,0,0|2,1,0]=3 10 B4R0.1 C#CC(N)=O BCP15743 [1,0,0,0,0,0|0,0,2]=3 11 B4R0.1 C=CC(Cl)=O BCP06212 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.1 CC(CBr)=O BCP06577 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 C[C@@H](O)CC BCP06774 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.1 C[C@H](N)CN BCP05857 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 C[C](N)CO BCP13388 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 NC(C=C)=O BCP25183 [1,0,0,0,0,0|0,0,2]=3 17 B4R0.1 NC(CN)=N BCP12671 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 O=C(O)CCl BCP20585 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 O=CC(O)=O BCP15407 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 OC(C#C)=O BCP18740 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.2 C#CCCN BCP19829 [1,0,0,0,0,0|0,0,3]=4 22 B4R0.2 C=CCON BCP19009 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.2 CCN=C=S BCP05940 [1,0,0,0,0,0|1,1,1]=4 24 B4R0.2 CSCCN BCP16561 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.2 ClCCCBr BCP16557 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.2 NCCOC BCP15361 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.2 NOCCO BCP11232 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.1 O=C(C#N)OCC BCP04941 [0,1,0,0,0,0|1,0,1]=3 29 B6R0.1 O=C(C=C)OCC BCP06341 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.1 O=C(OC)CCO BCP16887 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.1 O=C(OC)CCS BCP16637 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.1 O=C(OCC)CBr BCP04940 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.2 CC(C)CC(N)=O BCP05941 [0,1,0,0,0,0|0,0,0]=1 34 B6R0.2 CC(C)NC(C)=O BCP19527 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.2 CC(CC(N)=O)=O BCP19964 [0,1,0,0,0,0|0,0,1]=2 36 B6R0.2 CC(OC(C)=O)=O BCP20665 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.2 CC(\C=C([O-])C)=O BCP15074 [0,1,0,0,0,0|1,0,2]=4 38 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.2 OB(CC(C)C)O BCP12813 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.2 OC(CC(O)=O)=O BCP05571 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [0,1,0,0,0,0|1,0,0]=2 43 B6R0.3 CC[C](N)C(O)=O BCP04716 [0,1,0,0,0,0|1,0,1]=3 44 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.3 C\C=C(C)\C(O)=O BCP18945 [0,1,0,0,0,0|1,0,2]=4 46 B6R0.3 NC(CC)C(N)=O BCP08675 [0,1,0,0,0,0|0,0,0]=1 47 B6R0.3 N[C@H](C(O)=N)CO BCP06965 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.3 N[C](CO)C(O)=O BCP06311 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.3 O=C(NN)C(N)=O BCP15450 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.4 BrCCCN(C)C BCP18662 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.4 CC(C)CCCO BCP06801 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.4 CCCCC(N)=N BCP11276 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.4 O=C(O)\C=C\CBr BCP11140 [0,1,0,0,0,0|1,0,2]=4 54 B6R0.4 OC(CSCC)=O BCP05241 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.5 CS(CCN)(=O)=O BCP09595 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.5 NC(CCO)(C)C BCP10686 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.5 NCCS(=O)(=O)C BCP04141 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.5 NS(CCC)(=O)=O BCP20038 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.5 O=S(CCS)([O-])=O BCP14384 [0,1,0,0,0,0|3,0,0]=4 60 B6R1.2 CC1CCCO1 BCP16203 [0,0,0,1,0,0|1,0,2]=4 61 B6R1.2 NC1=NCCC1 BCP11252 [0,0,0,1,0,0|1,0,0]=2 62 B6R1.2 N[C@@H]1COCC1 BCP06180 [0,0,0,1,0,0|2,0,1]=4 63 B6R1.2 O=C1COCC1 BCP14176 [0,0,0,1,0,0|2,0,0]=3 64 B6R1.2 O=C1NCCC1 BCP15175 [0,0,0,1,0,0|0,0,0]=1 65 B6R1.2 O=C1OCC=C1 BCP15247 [0,0,0,1,0,0|1,0,2]=4 66 B6R1.2 O=C1SCCN1 BCP16484 [0,0,0,1,0,0|1,0,0]=2 67 B6R1.2 O=c1[nH]cc[nH]1 BCP13352 [0,0,0,1,0,0|1,0,2]=4 68 B6R1.10 NC1(C)CCC1 BCP13870 [0,0,0,1,0,0|1,0,1]=3 69 B6R1.11 N[C](C1CC1)C BCP14967 [0,0,0,1,0,0|1,0,1]=3 70 B3R0.1 C#CC=O BCP06452 [2,0,0,0,0,0|0,0,2]=4 71 B3R0.1 C=CC=O BCP07056 [2,0,0,0,0,0|0,0,2]=4 72 B3R0.1 CCCN BCP18818 [2,0,0,0,0,0|0,0,0]=2 73 B3R0.1 COCCl BCP08223 [2,0,0,0,0,0|2,0,0]=4 74 B3R0.1 NCCS BCP15015 [2,0,0,0,0,0|1,0,0]=3 75 B3R0.1 NCCS BCP15033 [2,0,0,0,0,0|1,0,0]=3 76 B3R0.2 CC(O)=O BCP05544 [2,0,0,0,0,0|1,0,0]=3 77 B3R0.2 NC(N)=N BCP04785 [2,0,0,0,0,0|2,0,0]=4 78 B3R0.2 OC(O)=O BCP14602 [2,0,0,0,0,0|2,0,0]=4 79 B3R0.2 [O-]C(=O)C BCP05504 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.3 CC[C](N)CO BCP16938 [1,1,0,0,0,0|0,0,2]=4 81 B5R0.3 O=C(CBr)CC BCP08723 [1,1,0,0,0,0|1,0,0]=3 82 B5R0.3 O=C(NC)CBr BCP13174 [1,1,0,0,0,0|1,0,0]=3 83 B5R0.3 O=C(OC)CBr BCP06456 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.5 CC(C)C(N)=N BCP07536 [1,1,0,0,0,0|1,0,0]=3 85 B5R0.5 C[C@@H](Cl)C(O)=O BCP14313 [1,1,0,0,0,0|1,0,0]=3 86 B5R0.5 C[C@@H](N)C(C)C BCP06945 [1,1,0,0,0,0|1,0,1]=4 87 B5R0.5 C[C](Cl)C(O)=O BCP11281 [1,1,0,0,0,0|1,0,1]=4 88 B5R0.5 O=C(C)C([O-])=O BCP13503 [1,1,0,0,0,0|1,0,1]=4 89 B5R0.2 C=CCCC=C BCP08456 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.2 ClCCOCC BCP15316 [1,1,0,0,0,0|1,0,1]=4 91 B5R0.2 NCCCCO BCP18612 [1,1,0,0,0,0|0,0,1]=3 92 B5R0.2 O=CCCC=O BCP20105 [1,1,0,0,0,0|0,0,1]=3 93 B7R0.2 CC(N)CC(C)CC BCP07039 [0,2,0,0,0,0|1,0,1]=4 94 B7R0.2 CC(N)CC(C)CC BCP18792 [0,2,0,0,0,0|1,0,1]=4 95 B7R0.2 C[C@@H](O)CC(OC)=O BCP15245 [0,2,0,0,0,0|1,0,0]=3 96 B7R0.2 C[C](O)CC(OC)=O BCP12973 [0,2,0,0,0,0|1,0,1]=4 97 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [0,2,0,0,0,0|1,0,0]=3 98 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [0,2,0,0,0,0|1,0,0]=3 99 B7R0.5 COC[C](C(O)=O)N BCP11642 [0,2,0,0,0,0|1,0,1]=4 100 B7R0.5 NC(C(O)=O)CC=C BCP04800 [0,2,0,0,0,0|1,0,1]=4 101 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [0,2,0,0,0,0|1,0,0]=3 102 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [0,2,0,0,0,0|1,0,0]=3 103 B7R0.5 O=C(O)[C](CNC)N BCP09610 [0,2,0,0,0,0|1,0,1]=4 104 B7R0.5 O=C(OCC)C(Cl)=O BCP20422 [0,2,0,0,0,0|1,0,1]=4 105 B7R0.7 O=C(OCC)C[N+]#[C-] BCP11231 [0,2,0,0,0,0|1,0,1]=4 106 B7R0.10 COC([C@H](N)CCl)=O BCP04711 [0,2,0,0,0,0|2,0,0]=4 107 B7R0.10 O=C(OC)[C@@H](C)CO BCP07508 [0,2,0,0,0,0|2,0,0]=4 108 B7R0.10 O[C@@H](CO)C(CO)=O BCP10464 [0,2,0,0,0,0|2,0,0]=4 109 B7R0.9 CC(C)CS(=O)(Cl)=O BCP07920 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.16 CC(C)[C@@H](N)C(O)=O BCP10545 [0,2,0,0,0,0|1,0,0]=3 111 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O BCP08009 [0,2,0,0,0,0|1,0,0]=3 112 B7R0.16 O=C(C([O-])=O)C(C)C BCP18017 [0,2,0,0,0,0|1,0,1]=4 113 B7R0.13 C[C@](CO)(N)C(O)=O BCP10469 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.13 NCC(C(=O)N)(C)C BCP04929 [0,2,0,0,0,0|1,0,0]=3 115 B7R0.13 N[C@](C(O)=O)(CC)C BCP11781 [0,2,0,0,0,0|1,0,0]=3 116 B7R0.4 O=C(O)CCCCO BCP10662 [0,2,0,0,0,0|1,0,0]=3 117 B7R0.4 OC(\C=C\OCC)=O BCP05609 [0,2,0,0,0,0|1,0,1]=4 118 B7R0.6 O=C(O)CC[N+]([O-])=O BCP15066 [0,2,0,0,0,0|2,0,0]=4 119 B7R0.6 O=C(O)CSC(F)F BCP19125 [0,2,0,0,0,0|2,0,0]=4 120 B7R0.8 CCCNS(N)(=O)=O BCP15431 [0,2,0,0,0,0|1,0,0]=3 121 B7R0.8 CS(=O)(=O)CCCO BCP18464 [0,2,0,0,0,0|2,0,0]=4 122 B7R0.8 O=S(NCCC)(N)=O BCP09330 [0,2,0,0,0,0|1,0,0]=3 123 B7R0.8 O=S([NH-])(NCCC)=O BCP09231 [0,2,0,0,0,0|1,0,1]=4 124 B7R0.8 OP(CCCN)(O)=O BCP08275 [0,2,0,0,0,0|2,0,0]=4 125 B5R1.2 O=C1CCO1 BCP07366 [1,0,0,1,0,0|1,0,0]=3 126 B5R1.2 O=C1CNC1 BCP10186 [1,0,0,1,0,0|2,0,0]=4 127 B5R1.2 O=C1COC1 BCP05482 [1,0,0,1,0,0|2,0,0]=4 128 B5R1.1 C1=CCNC1 BCP09734 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.1 CC[C]1NCCC1 BCP11727 [0,1,0,1,0,0|1,0,1]=4 130 B7R1.1 O=CC1CCCC1 BCP12309 [0,1,0,1,0,0|1,0,1]=4 131 B7R1.2 O=C1NCC(O)C1 BCP07569 [0,1,0,1,0,0|0,0,0]=2 132 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [0,1,0,1,0,0|1,0,0]=3 133 B7R1.3 C=C1CCNCC1 BCP15107 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.3 C[C@@H]1CNCCN1 BCP19769 [0,1,0,1,0,0|1,0,1]=4 135 B7R1.3 C[C@@H]1NCCOC1 BCP05272 [0,1,0,1,0,0|1,0,1]=4 136 B7R1.3 C[C@@H]1NCCOC1 BCP06972 [0,1,0,1,0,0|1,0,1]=4 137 B7R1.3 NC1CCNCC1 BCP01546 [0,1,0,1,0,0|1,0,1]=4 138 B7R1.3 NC1CNCCC1 BCP10242 [0,1,0,1,0,0|1,0,1]=4 139 B7R1.3 N[C]1CNCCC1 BCP08366 [0,1,0,1,0,0|1,0,1]=4 140 B7R1.3 O=C1CCNCC1 BCP15157 [0,1,0,1,0,0|1,0,0]=3 141 B7R1.3 O=C1CCSCC1 BCP09565 [0,1,0,1,0,0|1,0,0]=3 142 B7R1.3 O=C1NCCCC1 BCP00878 [0,1,0,1,0,0|0,0,0]=2 143 B7R1.3 OC1CCCNC1 BCP05290 [0,1,0,1,0,0|0,0,2]=4 144 B7R1.3 OC1CNCCC1 BCP05289 [0,1,0,1,0,0|0,0,2]=4 145 B7R1.4 C=C1CCOC1=O BCP18620 [0,1,0,1,0,0|1,0,1]=4 146 B7R1.4 N[C@@H]1CCC[C@H]1O BCP12204 [0,1,0,1,0,0|0,0,2]=4 147 B7R1.4 N[C@H]1CCOC1=O BCP20062 [0,1,0,1,0,0|1,0,0]=3 148 B7R1.4 O=C1CCCN1N BCP15282 [0,1,0,1,0,0|0,0,0]=2 149 B7R1.4 O=C1N(N)CCC1 BCP08744 [0,1,0,1,0,0|0,0,0]=2 150 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [0,1,0,1,0,0|1,0,0]=3 151 B7R1.4 OC1CCNC1=O BCP00893 [0,1,0,1,0,0|0,0,0]=2 152 B7R1.22 BrCC(C1CC1)=O BCP05144 [0,1,0,1,0,0|1,0,0]=3 153 B7R1.22 O=C(C1OC1)OC BCP18462 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.22 O=C(OC)[C@@H]1CO1 BCP07553 [0,1,0,1,0,0|2,0,0]=4 155 B7R1.22 O=C([C@@H]1OC1)OC BCP16542 [0,1,0,1,0,0|2,0,0]=4 156 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [0,1,0,1,0,0|1,0,0]=3 157 B7R1.20 O=C(O)CC1CC1 BCP05386 [0,1,0,1,0,0|1,0,0]=3 158 B7R1.18 O=C(C1CNC1)O BCP07094 [0,1,0,1,0,0|1,0,0]=3 159 B7R1.19 CC1(CC1)C(O)=O BCP16042 [0,1,0,1,0,0|1,0,0]=3 160 B7R1.19 NC1(CC1)C(O)=O BCP05245 [0,1,0,1,0,0|1,0,0]=3