0 B7R0.4 O=C(O)CCCCO BCP10662 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.4 OC(\C=C\OCC)=O BCP05609 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.4 CCCCC(N)=N BCP11276 [1,0,0,0,0,0|2,0,0]=3 3 B6R0.4 O=C(O)\C=C\CBr BCP11140 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.4 OC(CSCC)=O BCP05241 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.6 C=CCCCCO BCP03575 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.6 CCCCCCO BCP29486 [1,0,0,0,0,0|0,0,1]=2 7 B6R0.6 COCCCCCl BCP14187 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.6 O=CCCCCO BCP10790 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.6 OCCCCOC BCP22070 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.6 C=CC(O)CCCCC BCP19092 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.7 NC(NCCCCN)=N BCP06575 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.7 OCCCCO[N+]([O-])=O BCP20282 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.8 N[C](C(O)=O)CCCN BCP18679 [0,1,0,0,0,0|1,0,1]=3 14 B8R0.8 N[C](CCCN)C(O)=O BCP13629 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.8 O=C([O-])C(O)CCSC BCP11942 [0,1,0,0,0,0|1,0,1]=3 16 B8R0.9 C=CC(N)CCC(O)=O BCP16218 [0,1,0,0,0,0|0,0,2]=3 17 B8R0.9 C=C[C@@H](N)CCC(O)=O BCP09861 [0,1,0,0,0,0|0,0,2]=3 18 B8R0.9 NCC(=O)CCC(O)=O BCP23830 [0,1,0,0,0,0|1,0,1]=3 19 B8R0.9 O=C(O)CCC(CN)=O BCP02161 [0,1,0,0,0,0|1,0,1]=3 20 B8R0.28 CC(N)CCCC(C)C BCP18780 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.28 O=C(O)\C=C\CN(C)C BCP05598 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.28 O=C(O)\C=C\CN(C)C BCP09008 [0,1,0,0,0,0|1,0,2]=4 23 B8R1.1 OC1CN(CC)CC1 BCP11284 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.4 CN1CCNC(=O)C1 BCP17253 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.4 C[C@@H]1O[C](C)CNC1 BCP10396 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.4 NC=1CCCC(C1)=O BCP19985 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.4 O=C1CC(N)CCN1 BCP07513 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.4 OC1CCNC(=O)C1 BCP11689 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.7 O=C(N)[C]1NCCC1 BCP07471 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.7 O=C(O)C1=COCC1 BCP10326 [0,0,0,1,0,0|1,0,2]=4 31 B8R1.7 O=C(O)C1CNCC1 BCP04865 [0,0,0,1,0,0|1,0,0]=2 32 B8R1.7 O=C([C]1NCSC1)O BCP13616 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.7 OC(=O)C1COCC1 BCP08172 [0,0,0,1,0,0|1,0,0]=2 34 B8R1.34 O=C(O)CC1CCC1 BCP15064 [0,0,0,1,0,0|0,0,0]=1 35 B8R1.35 [*]C(OC[C@@H]1OC1)=O BCP12886 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.72 O=S1(CCCCO1)=O BCP23575 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.72 O=S1(CCNCC1)=O BCP14326 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.72 OC1(O)CCNCC1 BCP04712 [0,0,0,1,0,0|1,0,2]=4 39 B5R0.1 O=C(Cl)CCBr BCP20557 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.1 O=C(Cl)CCCl BCP09962 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 OC(CCO)=O BCP05902 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.1 OC(CCS)=O BCP16636 [2,0,0,0,0,0|1,0,0]=3 43 B5R0.2 ClCCOCC BCP15316 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.2 NCCCCO BCP18612 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.2 O=CCCC=O BCP20105 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [1,1,0,0,0,0|0,0,0]=2 47 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [1,1,0,0,0,0|1,0,0]=3 48 B7R0.5 COC[C](C(O)=O)N BCP11642 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.5 NC(C(O)=O)CC=C BCP04800 [1,1,0,0,0,0|0,0,2]=4 50 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [1,1,0,0,0,0|1,0,0]=3 51 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [1,1,0,0,0,0|1,0,0]=3 52 B7R0.5 O=C(O)[C](CNC)N BCP09610 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.6 O=C(O)CC[N+]([O-])=O BCP15066 [1,1,0,0,0,0|2,0,0]=4 54 B7R0.6 O=C(O)CSC(F)F BCP19125 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.8 OP(CCCN)(O)=O BCP08275 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.34 O=C(OC)CC(COC)=O BCP17248 [0,2,0,0,0,0|1,0,1]=4 57 B9R0.53 CC(C)C[C](N)CC(O)=O BCP11737 [0,2,0,0,0,0|0,0,1]=3 58 B9R0.24 O=C(OC)CCC(CN)=O BCP08124 [0,2,0,0,0,0|1,0,1]=4 59 B9R0.46 O=C(OC)CCCCCN BCP15041 [0,2,0,0,0,0|0,0,0]=2 60 B9R0.47 N[C](C(O)=O)CCCCN BCP13554 [0,2,0,0,0,0|0,0,1]=3 61 B9R0.2 C[C@@](CCCCN=C=S)=O BCP19599 [0,2,0,0,0,0|1,0,1]=4 62 B9R0.2 O=C(Cl)OCCCCCC BCP08904 [0,2,0,0,0,0|1,0,0]=3 63 B9R0.48 O=C(OCC)CCC(Cl)=O BCP13635 [0,2,0,0,0,0|1,0,1]=4 64 B9R0.7 N[C@@H](C(N)=O)CCC(O)=O BCP17216 [0,2,0,0,0,0|1,0,1]=4 65 B9R0.7 O=C(C(S)C)NCC(O)=O BCP13354 [0,2,0,0,0,0|1,0,1]=4 66 B9R0.13 CCCCC(CC)C([O-])=O BCP13040 [0,2,0,0,0,0|0,0,1]=3 67 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.3 O=C1CCNCC1 BCP15157 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.3 O=C1CCSCC1 BCP09565 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.3 O=C1NCCCC1 BCP00878 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.18 O=C(C1CNC1)O BCP07094 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.18 OB(C1CCC1)O BCP05474 [1,0,0,1,0,0|1,0,1]=4 74 B7R1.20 O=C(O)CC1CC1 BCP05386 [1,0,0,1,0,0|0,0,0]=2 75 B7R1.1 O=CC1CCCC1 BCP12309 [1,0,0,1,0,0|0,0,0]=2 76 B7R1.1 OCC1CCCC1 BCP29184 [1,0,0,1,0,0|0,0,1]=3 77 B7R1.1 OC[C@@H]1CNCC1 BCP20710 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.4 N[C@@H]1CCC[C@H]1O BCP12204 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.4 N[C@H]1CCOC1=O BCP20062 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.4 O=C1CCCN1N BCP15282 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.4 O=C1N(N)CCC1 BCP08744 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.4 OC1CCNC1=O BCP00893 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.13 C1C[C@@H](CC(=O)O)NC1 BCP11739 [0,1,0,1,0,0|0,0,0]=2 85 B9R1.34 O=C1CC(C)OC(C)C1 BCP20532 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.41 O=C(O)[C]1NCC[C@@H]1O BCP07241 [0,1,0,1,0,0|1,0,1]=4 87 B9R1.66 O=C1CCCC(C)(C)C1 BCP15134 [0,1,0,1,0,0|1,0,0]=3 88 B9R1.2 COC=1CCCC(C1)=O BCP12186 [0,1,0,1,0,0|1,0,1]=4 89 B9R1.5 N[C@H]1CCCCN=C1O BCP01251 [0,1,0,1,0,0|1,0,0]=3 90 B9R1.5 O=C1NCCCC[C]1N BCP14675 [0,1,0,1,0,0|1,0,1]=4 91 B9R1.11 COC(=O)C1CNCC1 BCP05702 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.11 O=C(C1CCCC1)OC BCP03424 [0,1,0,1,0,0|0,0,0]=2 93 B9R1.50 O=C1CCCCCCC1 BCP09447 [0,1,0,1,0,0|1,0,0]=3 94 B9R1.118 OC1(C#C)CCCCC1 BCP04342 [0,1,0,1,0,0|1,0,1]=4 95 B9R1.118 OC1(CC)CCCCC1 BCP18624 [0,1,0,1,0,0|1,0,1]=4 96 B9R1.6 CC(N1CCNCC1)=O BCP05244 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.6 O=C(C1CCNCC1)N BCP18799 [0,1,0,1,0,0|1,0,0]=3 98 B9R1.6 OC(=O)C1CCCOC1 BCP07723 [0,1,0,1,0,0|0,0,0]=2 99 B9R1.6 OC(=O)[C@@H]1COCCN1 BCP08155 [0,1,0,1,0,0|1,0,0]=3 100 B9R1.6 OC(=O)[C]1CCC=CC1 BCP15341 [0,1,0,1,0,0|0,0,2]=4 101 B9R1.35 O=C(O)[C@@H]1NC[C@@H](O)C1 BCP17069 [0,1,0,1,0,0|1,0,0]=3 102 B9R1.35 O=C(O)[C]1C[C@H](CN1)O BCP16291 [0,1,0,1,0,0|1,0,1]=4 103 B9R1.35 O=C(O)[C]1NC[C@@H](O)C1 BCP14276 [0,1,0,1,0,0|1,0,1]=4 104 B9R1.35 O=C(O)[C]1NC[C@@H](O)C1 BCP21137 [0,1,0,1,0,0|1,0,1]=4 105 B9R1.35 O=C1CC[C@@H](N1)C(=O)O BCP09505 [0,1,0,1,0,0|1,0,1]=4 106 B9R1.35 O[C@@H]1C[C](C(O)=O)NC1 BCP10481 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.112 O=C(O)C(N)CC1CC1 BCP15435 [0,1,0,1,0,0|0,0,0]=2 108 B9R1.112 O=C(O)[C@@H](N)CC1CC1 BCP07233 [0,1,0,1,0,0|0,0,0]=2 109 B9R1.112 O=C(O)[C](N)CC1CC1 BCP18435 [0,1,0,1,0,0|0,0,1]=3 110 B9R1.163 C[C@]1(CCCN1)C(O)=O BCP18010 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.163 O=C(O)[C@]1(C)NCCC1 BCP01614 [0,1,0,1,0,0|1,0,0]=3 112 B9R2.25 O=C1OC(C2C1C2)=O BCP11186 [0,0,0,2,0,0|1,0,1]=4