0 B6R0.4 BrCCCN(C)C BCP18662 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.4 CC(C)CCCO BCP06801 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 CCCCC(N)=N BCP11276 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.4 O=C(O)\C=C\CBr BCP11140 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.4 OC(CSCC)=O BCP05241 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.1 CC(OCCl)=O BCP16170 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.1 NC(SCC)=N BCP20133 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 O=C(Cl)CCBr BCP20557 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 O=C(Cl)CCCl BCP09962 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 OC(CCO)=O BCP05902 [1,0,0,0,0,0|1,0,0]=2 10 B5R0.1 OC(CCS)=O BCP16636 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.1 [S-]C(OCC)=S BCP29024 [1,0,0,0,0,0|1,2,0]=4 12 B5R0.2 C=CCCC=C BCP08456 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.2 ClCCOCC BCP15316 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.2 NCCCCO BCP18612 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.2 O=CCCC=O BCP20105 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.2 CC(N)CC(C)CC BCP07039 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.2 CC(N)CC(C)CC BCP18792 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [0,1,0,0,0,0|0,0,0]=1 19 B7R0.3 O=C(OC)\C=C\CBr BCP09298 [0,1,0,0,0,0|1,0,2]=4 20 B7R0.3 O=C(OC)\C=C\OC BCP18643 [0,1,0,0,0,0|1,0,2]=4 21 B7R0.4 O=C(O)CCCCO BCP10662 [0,1,0,0,0,0|0,0,0]=1 22 B7R0.4 OC(\C=C\OCC)=O BCP05609 [0,1,0,0,0,0|0,0,2]=3 23 B7R0.5 C#CC[C](N)C(O)=O BCP11742 [0,1,0,0,0,0|0,0,3]=4 24 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.5 COC[C](C(O)=O)N BCP11642 [0,1,0,0,0,0|1,0,1]=3 26 B7R0.5 NC(C(O)=O)CC=C BCP04800 [0,1,0,0,0,0|0,0,2]=3 27 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [0,1,0,0,0,0|1,0,0]=2 28 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [0,1,0,0,0,0|1,0,0]=2 29 B7R0.5 O=C(O)[C](CNC)N BCP09610 [0,1,0,0,0,0|1,0,1]=3 30 B7R0.5 O=C(OCC)C(Cl)=O BCP20422 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.6 O=C(O)CC[N+]([O-])=O BCP15066 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.6 O=C(O)CSC(F)F BCP19125 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.8 CCCNS(N)(=O)=O BCP15431 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.8 CS(=O)(=O)CCCO BCP18464 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.8 NCCOP(O)(O)=O BCP16057 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.8 O=S(NCCC)(N)=O BCP09330 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.8 O=S([NH-])(NCCC)=O BCP09231 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.8 OP(CCCN)(O)=O BCP08275 [0,1,0,0,0,0|2,0,0]=3 39 B7R1.2 O=C1NCC(O)C1 BCP07569 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [0,0,0,1,0,0|1,0,0]=2 41 B7R1.3 C=C1CCNCC1 BCP15107 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.3 C[C@@H]1CNCCO1 BCP07192 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.3 C[C]1CNCCO1 BCP16612 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.3 O=C1CCNCC1 BCP15157 [0,0,0,1,0,0|2,0,0]=3 45 B7R1.3 O=C1CCSCC1 BCP09565 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.3 O=C1NCCCC1 BCP00878 [0,0,0,1,0,0|1,0,0]=2 47 B7R1.3 OC1C=CCCC1 BCP18001 [0,0,0,1,0,0|1,0,2]=4 48 B7R1.3 OC1CCCNC1 BCP05290 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.3 OC1CCOCC1 BCP04889 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.3 OC1CNCCC1 BCP05289 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [0,0,0,1,0,0|1,0,0]=2 52 B7R1.18 O=C(C1CNC1)O BCP07094 [0,0,0,1,0,0|1,0,0]=2 53 B7R1.18 OB(C1CCC1)O BCP05474 [0,0,0,1,0,0|1,0,1]=3 54 B7R1.20 O=C(O)CC1CC1 BCP05386 [0,0,0,1,0,0|0,0,0]=1 55 B4R0.1 CC(CBr)=O BCP06577 [2,0,0,0,0,0|2,0,0]=4 56 B4R0.1 C[C@@H](O)CC BCP06774 [2,0,0,0,0,0|1,0,1]=4 57 B4R0.1 O=C(O)CCl BCP20585 [2,0,0,0,0,0|1,0,0]=3 58 B4R0.1 O=CC(O)=O BCP15407 [2,0,0,0,0,0|1,0,1]=4 59 B4R0.1 OC(C#C)=O BCP18740 [2,0,0,0,0,0|0,0,2]=4 60 B4R0.2 CC#CCO BCP07121 [2,0,0,0,0,0|0,0,2]=4 61 B4R0.2 CSCCN BCP16561 [2,0,0,0,0,0|2,0,0]=4 62 B4R0.2 ClCCCBr BCP16557 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.2 NCCOC BCP15361 [2,0,0,0,0,0|2,0,0]=4 64 B4R0.2 NOCCO BCP11232 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.1 O=C(C#N)OCC BCP04941 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.1 O=C(C=C)OCC BCP06341 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.1 O=C(OC)CCO BCP16887 [1,1,0,0,0,0|1,0,0]=3 68 B6R0.1 O=C(OC)CCS BCP16637 [1,1,0,0,0,0|1,0,0]=3 69 B6R0.1 O=C(OCC)CBr BCP04940 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.2 CC(C)CC(N)=O BCP05941 [1,1,0,0,0,0|1,0,0]=3 71 B6R0.2 CC(C)NC(C)=O BCP19527 [1,1,0,0,0,0|2,0,0]=4 72 B6R0.2 CC(CC(N)=O)=O BCP19964 [1,1,0,0,0,0|1,0,1]=4 73 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [1,1,0,0,0,0|0,0,0]=2 74 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [1,1,0,0,0,0|0,0,0]=2 75 B6R0.2 OB(CC(C)C)O BCP12813 [1,1,0,0,0,0|1,0,1]=4 76 B6R0.2 OC(CC(O)=O)=O BCP05571 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [1,1,0,0,0,0|0,0,0]=2 78 B6R0.3 CC[C](N)C(O)=O BCP04716 [1,1,0,0,0,0|0,0,1]=3 79 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [1,1,0,0,0,0|0,0,0]=2 80 B6R0.3 C\C=C(C)\C(O)=O BCP18945 [1,1,0,0,0,0|0,0,2]=4 81 B6R0.3 NC(CC)C(N)=O BCP08675 [1,1,0,0,0,0|1,0,0]=3 82 B6R0.3 N[C@H](C(O)=N)CO BCP06965 [1,1,0,0,0,0|2,0,0]=4 83 B6R0.3 N[C](CO)C(O)=O BCP06311 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.5 NS(CCC)(=O)=O BCP20038 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.6 C=CCCCCO BCP03575 [1,1,0,0,0,0|1,0,0]=3 86 B6R0.6 CCCCCCO BCP29486 [1,1,0,0,0,0|0,0,1]=3 87 B6R0.6 COCCCCCl BCP14187 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.6 O=CCCCCO BCP10790 [1,1,0,0,0,0|0,0,0]=2 89 B6R0.6 OCCCCOC BCP22070 [1,1,0,0,0,0|0,0,1]=3 90 B8R0.2 CCC(C)C(C([O-])=O)=O BCP13101 [0,2,0,0,0,0|0,0,2]=4 91 B8R0.19 O=C(OC)CC(CCl)=O BCP19731 [0,2,0,0,0,0|1,0,1]=4 92 B8R0.19 O=C(OC)CC(O)CCl BCP13432 [0,2,0,0,0,0|1,0,0]=3 93 B8R0.23 CC(C)[C@@H](CC(=O)O)N BCP11719 [0,2,0,0,0,0|0,0,0]=2 94 B8R0.23 C[C@@H](CC(=O)O)C(=O)O BCP23566 [0,2,0,0,0,0|1,0,1]=4 95 B8R0.23 N[C@@H](CC(O)=O)C(O)=O BCP13530 [0,2,0,0,0,0|1,0,1]=4 96 B8R0.1 C#CCCC(=O)CCO BCP18051 [0,2,0,0,0,0|0,0,2]=4 97 B8R0.1 O=C(CC#N)OCCC BCP12769 [0,2,0,0,0,0|2,0,0]=4 98 B8R0.1 O=C(OCC)C#CCC BCP20891 [0,2,0,0,0,0|0,0,2]=4 99 B8R0.6 C=CC(O)CCCCC BCP19092 [0,2,0,0,0,0|1,0,1]=4 100 B8R0.8 N[C](C(O)=O)CCCN BCP18679 [0,2,0,0,0,0|0,0,1]=3 101 B8R0.8 N[C](CCCN)C(O)=O BCP13629 [0,2,0,0,0,0|0,0,1]=3 102 B8R0.8 O=C([O-])C(O)CCSC BCP11942 [0,2,0,0,0,0|0,0,1]=3 103 B8R0.9 C=CC(N)CCC(O)=O BCP16218 [0,2,0,0,0,0|0,0,1]=3 104 B8R0.9 C=C[C@@H](N)CCC(O)=O BCP09861 [0,2,0,0,0,0|0,0,1]=3 105 B8R0.9 NCC(=O)CCC(O)=O BCP23830 [0,2,0,0,0,0|0,0,1]=3 106 B8R0.9 O=C(O)CCC(CN)=O BCP02161 [0,2,0,0,0,0|0,0,1]=3 107 B8R0.7 NC(NCCCCN)=N BCP06575 [0,2,0,0,0,0|2,0,0]=4 108 B8R0.7 OCCCCO[N+]([O-])=O BCP20282 [0,2,0,0,0,0|1,0,1]=4 109 B8R0.28 O=C(O)\C=C\CN(C)C BCP05598 [0,2,0,0,0,0|0,0,2]=4 110 B8R0.28 O=C(O)\C=C\CN(C)C BCP09008 [0,2,0,0,0,0|0,0,2]=4 111 B8R0.29 O=C(O)CNC(C)(C)C BCP01461 [0,2,0,0,0,0|1,0,0]=3 112 B6R1.2 CC1CCCO1 BCP16203 [1,0,0,1,0,0|1,0,1]=4 113 B6R1.2 NC1=NCCC1 BCP11252 [1,0,0,1,0,0|2,0,0]=4 114 B6R1.2 O=C1COCC1 BCP14176 [1,0,0,1,0,0|2,0,0]=4 115 B6R1.2 O=C1NCCC1 BCP15175 [1,0,0,1,0,0|1,0,0]=3 116 B6R1.2 O=C1OCC=C1 BCP15247 [1,0,0,1,0,0|0,0,2]=4 117 B6R1.2 O=C1SCCN1 BCP16484 [1,0,0,1,0,0|1,1,0]=4 118 B6R1.1 C1=CCNCC1 BCP09736 [1,0,0,1,0,0|2,0,0]=4 119 B6R1.1 C1CCCCC1 BCP08072 [1,0,0,1,0,0|1,0,1]=4 120 B6R1.1 C1COCCN1 BCP24054 [1,0,0,1,0,0|1,0,1]=4 121 B6R1.1 C1COCCO1 BCP16201 [1,0,0,1,0,0|1,0,1]=4 122 B6R1.1 N1CCCCC1 BCP15342 [1,0,0,1,0,0|1,0,1]=4 123 B6R1.1 O1CCC=CC1 BCP23557 [1,0,0,1,0,0|2,0,0]=4 124 B6R1.6 BrCC1CCC1 BCP18414 [1,0,0,1,0,0|1,0,1]=4 125 B6R1.6 OCC1CCC1 BCP17767 [1,0,0,1,0,0|0,0,1]=3 126 B8R1.1 NCC1CC(Br)=NO1 BCP19108 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.1 OC1CN(CC)CC1 BCP11284 [0,1,0,1,0,0|1,0,1]=4 128 B8R1.4 CN1CCNC(=O)C1 BCP17253 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.4 C[C@@H]1O[C](C)CNC1 BCP10396 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.4 NC=1CCCC(C1)=O BCP19985 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.4 O=C1CC(N)CCN1 BCP07513 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.4 O=C1NCC[C](O)C1 BCP14222 [0,1,0,1,0,0|1,0,1]=4 133 B8R1.4 OC1CCNC(=O)C1 BCP11689 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.34 O=C(O)CC1CCC1 BCP15064 [0,1,0,1,0,0|0,0,0]=2 135 B8R1.2 O=CN1CCCCC1 BCP20086 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.3 NC1CCC(O)CC1 BCP06182 [0,1,0,1,0,0|1,0,1]=4 137 B8R1.3 O=C1NCC(C)CC1 BCP14293 [0,1,0,1,0,0|1,0,0]=3 138 B8R1.5 O=C1C(O)CCCO1 BCP06471 [0,1,0,1,0,0|0,0,0]=2 139 B8R1.5 O=C1CCOCC1C BCP07576 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.5 O[C@@H]1[C@@H](O)CCCC1 BCP16536 [0,1,0,1,0,0|0,0,2]=4 141 B8R1.52 OC1(CC)CCCC1 BCP15324 [0,1,0,1,0,0|1,0,1]=4 142 B8R1.7 O=C(N)[C]1NCCC1 BCP07471 [0,1,0,1,0,0|1,0,1]=4 143 B8R1.7 O=C(O)C1=COCC1 BCP10326 [0,1,0,1,0,0|0,0,2]=4 144 B8R1.7 O=C(O)C1CNCC1 BCP04865 [0,1,0,1,0,0|0,0,0]=2 145 B8R1.7 O=C([C]1NCSC1)O BCP13616 [0,1,0,1,0,0|1,0,1]=4 146 B8R1.7 OC(=O)C1COCC1 BCP08172 [0,1,0,1,0,0|0,0,0]=2 147 B8R1.35 [*]C(OC[C@@H]1OC1)=O BCP12886 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.72 O=S1(CCCCO1)=O BCP23575 [0,1,0,1,0,0|1,0,0]=3 149 B8R1.72 O=S1(CCNCC1)=O BCP14326 [0,1,0,1,0,0|1,0,1]=4 150 B8R1.72 OC1(O)CCNCC1 BCP04712 [0,1,0,1,0,0|0,0,2]=4 151 B8R1.23 CN1CC(C1)C(=O)O BCP08430 [0,1,0,1,0,0|1,0,0]=3 152 B8R1.23 O=C(C1CC(C1)=O)O BCP01232 [0,1,0,1,0,0|0,0,1]=3 153 B8R1.23 O=C(C1CC(N1)=O)O BCP06201 [0,1,0,1,0,0|1,0,1]=4 154 B8R1.23 O=C(O)[C@@H]1C[C@@H](N)C1 BCP04214 [0,1,0,1,0,0|0,0,0]=2 155 B8R1.54 O=C(O)[C@@H](N)C1CC1 BCP11588 [0,1,0,1,0,0|0,0,0]=2 156 B8R1.77 CC1(C[C]1C(N)=O)C BCP16588 [0,1,0,1,0,0|1,0,1]=4 157 B8R1.77 O=C(C1C(F)(F)C1)O BCP19593 [0,1,0,1,0,0|1,0,0]=3