0 B7R0.7 O=C(OCC)C[N+]#[C-] BCP11231 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.1 O=C(C#N)OCC BCP04941 [1,0,0,0,0,0|1,0,1]=3 2 B6R0.1 O=C(C=C)OCC BCP06341 [1,0,0,0,0,0|0,0,2]=3 3 B6R0.1 O=C(OC)CCO BCP16887 [1,0,0,0,0,0|1,0,0]=2 4 B6R0.1 O=C(OC)CCS BCP16637 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.1 O=C(OCC)CBr BCP04940 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.6 CCCCCCO BCP29486 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.1 C#CCCC(=O)CCO BCP18051 [0,1,0,0,0,0|2,0,1]=4 8 B8R0.1 O=C(CC#N)OCCC BCP12769 [0,1,0,0,0,0|1,0,1]=3 9 B8R0.1 O=C(OCC)C#CCC BCP20891 [0,1,0,0,0,0|0,0,1]=2 10 B8R0.1 O=C(OCC)\C=C\C=O BCP16342 [0,1,0,0,0,0|0,0,3]=4 11 B8R0.5 CCOC(\C=C(N)\C)=O BCP12251 [0,1,0,0,0,0|0,0,2]=3 12 B8R0.5 O=C(OC(C)C)OCCl BCP13081 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.5 O=C(OC(C)C)\C=CI BCP15356 [0,1,0,0,0,0|1,0,2]=4 14 B8R0.22 C#CC(OCC)OCC BCP18205 [0,1,0,0,0,0|2,0,1]=4 15 B8R1.4 CN1CCNC(=O)C1 BCP17253 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.4 C[C@@H]1O[C](C)CNC1 BCP10396 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.4 NC=1CCCC(C1)=O BCP19985 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.4 O=C1CC(N)CCN1 BCP07513 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.4 O=C1NCC[C](O)C1 BCP14222 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.4 OC1CCNC(=O)C1 BCP11689 [0,0,0,1,0,0|2,0,0]=3 21 B5R0.1 CC(OCCl)=O BCP16170 [2,0,0,0,0,0|1,0,0]=3 22 B5R0.1 O=C(Cl)CCBr BCP20557 [2,0,0,0,0,0|2,0,0]=4 23 B5R0.1 O=C(Cl)CCCl BCP09962 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.1 OC(CCO)=O BCP05902 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.1 OC(CCS)=O BCP16636 [2,0,0,0,0,0|1,0,0]=3 26 B5R0.1 [S-]C(OCC)=S BCP29024 [2,0,0,0,0,0|1,1,0]=4 27 B5R0.2 ClCCOCC BCP15316 [2,0,0,0,0,0|1,0,0]=3 28 B5R0.3 O=C(CBr)CC BCP08723 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.3 O=C(NC)CBr BCP13174 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.3 O=C(OC)CBr BCP06456 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.2 CC(N)CC(C)CC BCP07039 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.2 CC(N)CC(C)CC BCP18792 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.2 C[C@@H](O)CC(OC)=O BCP15245 [1,1,0,0,0,0|0,0,0]=2 34 B7R0.2 C[C](O)CC(OC)=O BCP12973 [1,1,0,0,0,0|0,0,1]=3 35 B7R0.2 O=C(OC)C=C(C)C BCP10333 [1,1,0,0,0,0|0,0,2]=4 36 B7R0.2 O=C(OC)\C=C(N)C BCP15340 [1,1,0,0,0,0|0,0,2]=4 37 B7R0.3 O=C(OC)\C=C\CBr BCP09298 [1,1,0,0,0,0|0,0,2]=4 38 B7R0.3 O=C(OC)\C=C\OC BCP18643 [1,1,0,0,0,0|0,0,2]=4 39 B7R0.5 O=C(OCC)C(Cl)=O BCP20422 [1,1,0,0,0,0|1,0,1]=4 40 B7R0.10 COC([C@H](N)CCl)=O BCP04711 [1,1,0,0,0,0|1,0,0]=3 41 B7R0.10 COC([C](C)CO)=O BCP16617 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.10 O=C(OC)[C@@H](C)CO BCP07508 [1,1,0,0,0,0|1,0,0]=3 43 B7R0.10 O=C(OC)[C](CO)N BCP15170 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.10 O[C@@H](CO)C(CO)=O BCP10464 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.1 COCCOCCN BCP11312 [1,1,0,0,0,0|1,0,1]=4 46 B9R0.4 O=C(C)CC(OCC=C)=O BCP12037 [0,2,0,0,0,0|0,0,2]=4 47 B9R0.5 O=C(OCCOC)CC#N BCP12767 [0,2,0,0,0,0|1,0,1]=4 48 B9R0.34 O=C(OCC)C[C](O)CCl BCP13417 [0,2,0,0,0,0|0,0,1]=3 49 B9R0.48 O=C(CC#N)OCC(C)C BCP12770 [0,2,0,0,0,0|1,0,1]=4 50 B9R0.48 O=C(OCC)CCC(Cl)=O BCP13635 [0,2,0,0,0,0|0,0,1]=3 51 B9R0.6 CC(C(Cl)C(OCC)=O)=O BCP17354 [0,2,0,0,0,0|0,0,1]=3 52 B9R0.37 O=C(OCC)C(C=O)C=O BCP10961 [0,2,0,0,0,0|1,0,1]=4 53 B9R0.44 CC(C)(C)OC(CNC)=O BCP16982 [0,2,0,0,0,0|1,0,0]=3 54 B9R0.44 CNNC(OC(C)(C)C)=O BCP14206 [0,2,0,0,0,0|2,0,0]=4 55 B9R0.44 O=C(OC(C)(C)C)CNC BCP17025 [0,2,0,0,0,0|1,0,0]=3 56 B9R0.15 O=C([O-])C(CCC)CCC BCP02888 [0,2,0,0,0,0|1,0,1]=4 57 B7R1.1 CCN1CCCC1 BCP07071 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.1 CC[C]1NCCC1 BCP11727 [1,0,0,1,0,0|1,0,1]=4 59 B7R1.2 O=C1NCC(O)C1 BCP07569 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.3 C=C1CCNCC1 BCP15107 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.3 O=C1CCNCC1 BCP15157 [1,0,0,1,0,0|1,0,0]=3 63 B7R1.3 O=C1CCSCC1 BCP09565 [1,0,0,1,0,0|1,0,0]=3 64 B7R1.3 O=C1NCCCC1 BCP00878 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.4 C=C1CCOC1=O BCP18620 [1,0,0,1,0,0|0,0,2]=4 66 B7R1.4 N[C@H]1CCOC1=O BCP20062 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.4 O=C1CCCN1N BCP15282 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.4 O=C1N(N)CCC1 BCP08744 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.4 OC1CCNC1=O BCP00893 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.22 BrCC(C1CC1)=O BCP05144 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.22 O=C(C1OC1)OC BCP18462 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.22 O=C(OC)[C@@H]1CO1 BCP07553 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.22 O=C([C@@H]1OC1)OC BCP16542 [1,0,0,1,0,0|1,0,0]=3 75 B9R1.2 COC=1CCCC(C1)=O BCP12186 [0,1,0,1,0,0|1,0,1]=4 76 B9R1.8 CCOC1CCNCC1 BCP11332 [0,1,0,1,0,0|1,0,1]=4 77 B9R1.8 CCOC1CCNCC1 BCP11334 [0,1,0,1,0,0|1,0,1]=4 78 B9R1.33 O=C1N(CCN1)CCO BCP06137 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.50 O=C1CCCCCCC1 BCP09447 [0,1,0,1,0,0|1,0,0]=3 80 B9R1.5 N[C@H]1CCCCN=C1O BCP01251 [0,1,0,1,0,0|1,0,1]=4 81 B9R1.5 O=C1NCCCC[C]1N BCP14675 [0,1,0,1,0,0|1,0,1]=4 82 B9R1.74 C(C)OC(=O)C1(CC1)N BCP05259 [0,1,0,1,0,0|0,0,0]=2 83 B9R1.34 O=C1CC(C)OC(C)C1 BCP20532 [0,1,0,1,0,0|1,0,0]=3 84 B9R1.66 O=C1CCCC(C)(C)C1 BCP15134 [0,1,0,1,0,0|1,0,0]=3 85 B9R2.25 O=C1OC(C2C1C2)=O BCP11186 [0,0,0,2,0,0|1,0,1]=4