0 B6R0.2 CC(C)CC(N)=O BCP05941 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.2 CC(C)NC(C)=O BCP19527 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.2 CC(CC(N)=O)=O BCP19964 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(OC(C)=O)=O BCP20665 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(\C=C([O-])C)=O BCP15074 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.2 OB(CC(C)C)O BCP12813 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.2 OC(CC(O)=O)=O BCP05571 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CC(C)N=C=O BCP15287 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 CC(OCCl)=O BCP16170 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.1 CN(CCBr)C BCP20000 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 C[C@@H](N)CCO BCP01279 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.1 C[C@@H](N)COC BCP19342 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 NC(SCC)=N BCP20133 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 NNCC(C)C BCP06610 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 O=C(Cl)CCBr BCP20557 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 O=C(Cl)CCCl BCP09962 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 OC(CCO)=O BCP05902 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 OC(CCS)=O BCP16636 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 [S-]C(OCC)=S BCP29024 [1,0,0,0,0,0|2,1,0]=4 21 B7R0.2 CC(CN(C)C)CCl BCP09620 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.2 CC(N)CC(C)CC BCP07039 [0,1,0,0,0,0|1,0,1]=3 23 B7R0.2 CC(N)CC(C)CC BCP18792 [0,1,0,0,0,0|1,0,1]=3 24 B7R0.2 C[C@@H](O)CC(OC)=O BCP15245 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.2 C[C](O)CC(OC)=O BCP12973 [0,1,0,0,0,0|1,0,1]=3 26 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.2 O=C(OC)C=C(C)C BCP10333 [0,1,0,0,0,0|0,0,2]=3 28 B7R0.2 O=C(OC)\C=C(N)C BCP15340 [0,1,0,0,0,0|1,0,2]=4 29 B7R0.9 CC(C)CS(=O)(Cl)=O BCP07920 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.16 CC(C)[C@@H](N)C(O)=O BCP10545 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O BCP08009 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.16 O=C(C([O-])=O)C(C)C BCP18017 [0,1,0,0,0,0|1,0,1]=3 33 B7R1.2 O=C1NCC(O)C1 BCP07569 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.20 O=C(O)CC1CC1 BCP05386 [0,0,0,1,0,0|1,0,0]=2 37 B5R0.5 CC(C)C(C)O BCP29487 [0,0,0,0,1,0|0,0,2]=3 38 B5R0.5 CC(C)C(N)=N BCP07536 [0,0,0,0,1,0|2,0,0]=3 39 B5R0.5 C[C@@H](Cl)C(O)=O BCP14313 [0,0,0,0,1,0|2,0,0]=3 40 B5R0.5 C[C@@H](N)C(C)C BCP06945 [0,0,0,0,1,0|1,0,1]=3 41 B5R0.5 C[C](Cl)C(O)=O BCP11281 [0,0,0,0,1,0|2,0,1]=4 42 B5R0.5 O=C(C)C([O-])=O BCP13503 [0,0,0,0,1,0|2,0,1]=4 43 B7R0.6 O=C(O)CSC(F)F BCP19125 [0,0,0,0,0,1|3,0,0]=4 44 B4R0.1 CC(C)[Mg]Cl BCP10965 [2,0,0,0,0,0|2,0,0]=4 45 B4R0.1 CC(CBr)=O BCP06577 [2,0,0,0,0,0|1,0,0]=3 46 B4R0.1 CC(O)CN BCP08083 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.1 CN(C)NC BCP16365 [2,0,0,0,0,0|2,0,0]=4 48 B4R0.1 C[C@@H](O)CC BCP06774 [2,0,0,0,0,0|1,0,0]=3 49 B4R0.1 C[C@H](N)CN BCP05857 [2,0,0,0,0,0|2,0,0]=4 50 B4R0.1 O=C(O)CCl BCP20585 [2,0,0,0,0,0|2,0,0]=4 51 B4R0.2 CSCCN BCP16561 [2,0,0,0,0,0|2,0,0]=4 52 B4R0.2 NCCOC BCP15361 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.1 O=C(C#N)OCC BCP04941 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.1 O=C(C=C)OCC BCP06341 [1,1,0,0,0,0|1,0,1]=4 55 B6R0.1 O=C(OC)CCO BCP16887 [1,1,0,0,0,0|1,0,0]=3 56 B6R0.1 O=C(OC)CCS BCP16637 [1,1,0,0,0,0|1,0,0]=3 57 B6R0.1 O=C(OCC)CBr BCP04940 [1,1,0,0,0,0|1,0,0]=3 58 B6R0.1 OC[C@@H](C)COC BCP11697 [1,1,0,0,0,0|1,0,0]=3 59 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [1,1,0,0,0,0|1,0,0]=3 60 B6R0.3 CC[C](N)C(O)=O BCP04716 [1,1,0,0,0,0|1,0,1]=4 61 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [1,1,0,0,0,0|1,0,0]=3 62 B6R0.3 NC(CC)C(N)=O BCP08675 [1,1,0,0,0,0|1,0,0]=3 63 B6R0.4 BrCCCN(C)C BCP18662 [1,1,0,0,0,0|1,0,1]=4 64 B6R0.4 CC(C)CCCO BCP06801 [1,1,0,0,0,0|0,0,1]=3 65 B6R0.4 CCCCC(N)=N BCP11276 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.4 OC(CSCC)=O BCP05241 [1,1,0,0,0,0|1,0,0]=3 67 B6R0.5 CS(CCN)(=O)=O BCP09595 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.5 C[N+](C)(C)CC=C BCP14578 [1,1,0,0,0,0|1,0,1]=4 69 B6R0.5 NC(CCO)(C)C BCP10686 [1,1,0,0,0,0|0,0,2]=4 70 B6R0.5 NCCS(=O)(=O)C BCP04141 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.5 NS(CCC)(=O)=O BCP20038 [1,1,0,0,0,0|2,0,0]=4 72 B6R0.7 CC(S(N)=O)(C)C BCP14651 [0,1,0,0,1,0|2,0,0]=4 73 B6R0.7 CC([C@](N)=O)(C)C BCP01233 [0,1,0,0,1,0|1,0,0]=3 74 B8R0.23 CC(C)[C@@H](CC(=O)O)N BCP11719 [0,1,0,0,0,1|1,0,0]=3 75 B8R0.29 O=C(O)CNC(C)(C)C BCP01461 [0,1,0,0,0,1|1,0,0]=3 76 B8R0.2 CC([C@H](N)C(OC)=O)C BCP11286 [0,2,0,0,0,0|0,0,0]=2 77 B8R0.2 CCC(C)C(C([O-])=O)=O BCP13101 [0,2,0,0,0,0|1,0,1]=4 78 B8R0.5 O=C(OC(C)C)OCCl BCP13081 [0,2,0,0,0,0|1,0,0]=3 79 B8R0.5 O=C(OC(C)C)\C=CI BCP15356 [0,2,0,0,0,0|1,0,1]=4 80 B8R0.19 O=C(OC)CC(CCl)=O BCP19731 [0,2,0,0,0,0|1,0,1]=4 81 B8R0.19 O=C(OC)CC(O)CCl BCP13432 [0,2,0,0,0,0|1,0,0]=3 82 B8R0.27 CC(C)(C)C(C(O)=O)=O BCP18772 [0,2,0,0,0,0|1,0,1]=4 83 B8R0.27 NC(C(C)(C)C)C(=O)O BCP15485 [0,2,0,0,0,0|1,0,0]=3 84 B8R0.27 N[C@@H](C(O)=O)C(C)(S)C BCP17247 [0,2,0,0,0,0|1,0,0]=3 85 B8R0.27 N[C](C(O)=O)C(C)(C)C BCP04717 [0,2,0,0,0,0|1,0,1]=4 86 B8R0.37 NC(C(C)C)(C)C(N)=O BCP14288 [0,2,0,0,0,0|1,0,0]=3 87 B6R1.2 CC1CCCO1 BCP16203 [1,0,0,1,0,0|0,0,2]=4 88 B6R1.2 F[C@@H]1CCNC1 BCP14098 [1,0,0,1,0,0|2,0,0]=4 89 B6R1.2 IC1COCC1 BCP14190 [1,0,0,1,0,0|2,0,0]=4 90 B6R1.2 NC1=NCCC1 BCP11252 [1,0,0,1,0,0|2,0,0]=4 91 B6R1.2 N[C@@H]1COCC1 BCP06180 [1,0,0,1,0,0|2,0,0]=4 92 B6R1.2 O=C1COCC1 BCP14176 [1,0,0,1,0,0|1,0,0]=3 93 B6R1.2 O=C1NCCC1 BCP15175 [1,0,0,1,0,0|1,0,0]=3 94 B6R1.2 O=C1SCCN1 BCP16484 [1,0,0,1,0,0|2,0,0]=4 95 B6R1.2 OC1COCC1 BCP13266 [1,0,0,1,0,0|2,0,0]=4 96 B6R1.2 O[C@@H]1CNCC1 BCP14826 [1,0,0,1,0,0|2,0,0]=4 97 B6R1.2 O[C@@H]1CNCC1 BCP15469 [1,0,0,1,0,0|2,0,0]=4 98 B6R1.5 OC1CN(C)C1 BCP20498 [1,0,0,1,0,0|2,0,0]=4 99 B6R1.10 NC1(C)CCC1 BCP13870 [1,0,0,1,0,0|1,0,1]=4 100 B6R1.11 N[C](C1CC1)C BCP14967 [1,0,0,1,0,0|1,0,1]=4 101 B8R1.3 O=C1NCC(C)CC1 BCP14293 [0,0,0,1,0,1|0,0,0]=2 102 B8R1.23 CN1CC(C1)C(=O)O BCP08430 [0,0,0,1,0,1|2,0,0]=4 103 B8R1.23 O=C(O)[C@@H]1C[C@@H](N)C1 BCP04214 [0,0,0,1,0,1|2,0,0]=4 104 B8R1.35 [*]C(OC[C@@H]1OC1)=O BCP12886 [0,0,0,1,0,1|2,0,0]=4 105 B8R1.77 CC1(C[C]1C(N)=O)C BCP16588 [0,0,0,1,0,1|1,0,0]=3 106 B8R1.4 CN1CCNC(=O)C1 BCP17253 [0,1,0,1,0,0|1,0,0]=3 107 B8R1.4 C[C@@H]1CN(C)CCN1 BCP14054 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.4 O=C1CC(N)CCN1 BCP07513 [0,1,0,1,0,0|1,0,0]=3 109 B8R1.4 O=C1NCC[C](O)C1 BCP14222 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.4 OC1CCNC(=O)C1 BCP11689 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.34 O=C(O)CC1CCC1 BCP15064 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.54 O=C(O)[C@@H](N)C1CC1 BCP11588 [0,1,0,1,0,0|1,0,0]=3 113 B8R0.28 CC(N)CCCC(C)C BCP18780 [0,0,0,0,0,2|1,0,1]=4 114 B8R0.28 O=C(O)\C=C\CN(C)C BCP05598 [0,0,0,0,0,2|2,0,0]=4 115 B8R0.28 O=C(O)\C=C\CN(C)C BCP09008 [0,0,0,0,0,2|2,0,0]=4