0 B7R0.4 O=C(O)CCCCO BCP10662 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.4 OC(\C=C\OCC)=O BCP05609 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.4 BrCCCN(C)C BCP18662 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.4 CC(C)CCCO BCP06801 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.4 CCCCC(N)=N BCP11276 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.4 OC(CSCC)=O BCP05241 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.6 C=CCCCCO BCP03575 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.6 CCCCCCO BCP29486 [1,0,0,0,0,0|0,0,2]=3 8 B6R0.6 COCCCCCl BCP14187 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.6 O=CCCCCO BCP10790 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.6 OCCCCOC BCP22070 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.6 C=CC(O)CCCCC BCP19092 [0,1,0,0,0,0|0,0,3]=4 12 B8R0.7 NC(NCCCCN)=N BCP06575 [0,1,0,0,0,0|3,0,0]=4 13 B8R0.7 OCCCCNC(C)C BCP16963 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.7 OCCCCO[N+]([O-])=O BCP20282 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.8 N[C](C(O)=O)CCCN BCP18679 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.8 N[C](CCCN)C(O)=O BCP13629 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.8 O=C([O-])C(O)CCSC BCP11942 [0,1,0,0,0,0|2,0,0]=3 18 B8R0.9 C=CC(N)CCC(O)=O BCP16218 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.9 C=C[C@@H](N)CCC(O)=O BCP09861 [0,1,0,0,0,0|1,0,2]=4 20 B8R0.9 NCC(=O)CCC(O)=O BCP23830 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.9 O=C(O)CCC(CN)=O BCP02161 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.28 CC(N)CCCC(C)C BCP18780 [0,1,0,0,0,0|1,0,1]=3 23 B8R1.1 OC1CN(CC)CC1 BCP11284 [0,0,0,1,0,0|1,0,2]=4 24 B8R1.4 CN1CCNC(=O)C1 BCP17253 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.4 C[C@@H]1CN(C)CCN1 BCP14054 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.4 C[C@@H]1O[C](C)CNC1 BCP10396 [0,0,0,1,0,0|1,0,2]=4 27 B8R1.4 NC=1CCCC(C1)=O BCP19985 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.4 O=C1CC(N)CCN1 BCP07513 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.4 O=C1NCC[C](O)C1 BCP14222 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.4 OC1CCNC(=O)C1 BCP11689 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.7 CC(C1=NCCS1)=O BCP17112 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.7 CN([C@H]1CCNC1)C BCP10040 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.7 O=C(N)[C]1NCCC1 BCP07471 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.7 O=C(O)C1CNCC1 BCP04865 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.7 OC(=O)C1COCC1 BCP08172 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.22 N[C]1CNCCCC1 BCP13365 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.34 O=C(O)CC1CCC1 BCP15064 [0,0,0,1,0,0|1,0,0]=2 38 B8R1.35 [*]C(OC[C@@H]1OC1)=O BCP12886 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.72 O=S1(CCCCO1)=O BCP23575 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.72 O=S1(CCNCC1)=O BCP14326 [0,0,0,1,0,0|3,0,0]=4 41 B5R0.1 CC(OCCl)=O BCP16170 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.1 O=C(Cl)CCBr BCP20557 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 O=C(Cl)CCCl BCP09962 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 OC(CCO)=O BCP05902 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.1 OC(CCS)=O BCP16636 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.2 ClCCOCC BCP15316 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.2 NCCCCO BCP18612 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.2 O=CCCC=O BCP20105 [2,0,0,0,0,0|1,0,1]=4 49 B7R0.2 CC(N)CC(C)CC BCP07039 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.2 CC(N)CC(C)CC BCP18792 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [1,1,0,0,0,0|1,0,0]=3 52 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [1,1,0,0,0,0|2,0,0]=4 54 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.8 CS(=O)(=O)CCCO BCP18464 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.1 COCCOCCN BCP11312 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.6 CC(C(Cl)C(OCC)=O)=O BCP17354 [0,2,0,0,0,0|1,0,1]=4 58 B9R0.34 O=C(OC)CC(COC)=O BCP17248 [0,2,0,0,0,0|1,0,1]=4 59 B9R0.53 CC(C)C[C](N)CC(O)=O BCP11737 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.5 O=C(OCCOC)CC#N BCP12767 [0,2,0,0,0,0|2,0,0]=4 61 B9R0.24 O=C(OC)CCC(CN)=O BCP08124 [0,2,0,0,0,0|1,0,1]=4 62 B9R0.46 O=C(OC)CCCCCN BCP15041 [0,2,0,0,0,0|0,0,0]=2 63 B9R0.47 CC(=C)C(=O)NCCCN BCP19654 [0,2,0,0,0,0|2,0,0]=4 64 B9R0.47 N[C](C(O)=O)CCCCN BCP13554 [0,2,0,0,0,0|1,0,1]=4 65 B9R0.2 C[C@@](CCCCN=C=S)=O BCP19599 [0,2,0,0,0,0|0,0,1]=3 66 B9R0.2 O=C(Cl)OCCCCCC BCP08904 [0,2,0,0,0,0|1,0,0]=3 67 B9R0.48 O=C(OCC)CCC(Cl)=O BCP13635 [0,2,0,0,0,0|1,0,1]=4 68 B9R0.13 CCCCC(CC)C([O-])=O BCP13040 [0,2,0,0,0,0|1,0,0]=3 69 B7R1.2 O=C1NCC(O)C1 BCP07569 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.3 C=C1CCNCC1 BCP15107 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.3 O=C1CCNCC1 BCP15157 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.3 O=C1CCSCC1 BCP09565 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.3 O=C1NCCCC1 BCP00878 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.18 O=C(C1CNC1)O BCP07094 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.20 O=C(O)CC1CC1 BCP05386 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.1 CCN1CCCC1 BCP07071 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.1 CNC1COCC1 BCP11597 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.1 O=CC1CCCC1 BCP12309 [1,0,0,1,0,0|0,0,0]=2 81 B7R1.1 OCC1CCCC1 BCP29184 [1,0,0,1,0,0|0,0,2]=4 82 B7R1.1 OC[C@@H]1CNCC1 BCP20710 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.4 N[C@H]1CCOC1=O BCP20062 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.4 O=C1CCCN1N BCP15282 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.4 O=C1N(N)CCC1 BCP08744 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.4 OC1CCNC1=O BCP00893 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.24 C1CNCCNC1 BCP15067 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.13 C1C[C@@H](CC(=O)O)NC1 BCP11739 [0,1,0,1,0,0|1,0,0]=3 90 B9R1.34 O=C1CC(C)OC(C)C1 BCP20532 [0,1,0,1,0,0|1,0,0]=3 91 B9R1.66 O=C1CCCC(C)(C)C1 BCP15134 [0,1,0,1,0,0|0,0,0]=2 92 B9R1.1 N#CC1CCC(CC1)=O BCP17260 [0,1,0,1,0,0|1,0,1]=4 93 B9R1.2 COC=1CCCC(C1)=O BCP12186 [0,1,0,1,0,0|0,0,2]=4 94 B9R1.5 N[C@H]1CCCCN=C1O BCP01251 [0,1,0,1,0,0|1,0,1]=4 95 B9R1.5 O=C1NCCCC[C]1N BCP14675 [0,1,0,1,0,0|1,0,1]=4 96 B9R1.11 COC(=O)C1CNCC1 BCP05702 [0,1,0,1,0,0|1,0,0]=3 97 B9R1.11 O=C(C1CCCC1)OC BCP03424 [0,1,0,1,0,0|0,0,0]=2 98 B9R1.50 O=C1CCCCCCC1 BCP09447 [0,1,0,1,0,0|0,0,0]=2 99 B9R1.118 OC1(CC)CCCCC1 BCP18624 [0,1,0,1,0,0|0,0,2]=4 100 B9R1.6 CC(N1CCNCC1)=O BCP05244 [0,1,0,1,0,0|1,0,0]=3 101 B9R1.6 CN(C1CCNCC1)C BCP09592 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.6 O=C(C1CCNCC1)N BCP18799 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.6 OC(=O)C1CCCOC1 BCP07723 [0,1,0,1,0,0|1,0,0]=3 104 B9R1.6 OC(=O)[C@@H]1COCCN1 BCP08155 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.35 O=C(O)[C@@H]1NC[C@@H](O)C1 BCP17069 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.112 O=C(O)C(N)CC1CC1 BCP15435 [0,1,0,1,0,0|1,0,0]=3 107 B9R1.112 O=C(O)[C@@H](N)CC1CC1 BCP07233 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.112 O=C(O)[C](N)CC1CC1 BCP18435 [0,1,0,1,0,0|1,0,1]=4 109 B9R1.163 C[C@]1(CCCN1)C(O)=O BCP18010 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.163 O=C(O)[C@]1(C)NCCC1 BCP01614 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.82 O=C(OC)C1CC(C1)=O BCP17549 [0,1,0,1,0,0|1,0,1]=4