0 B5R0.2 C=CCCC=C BCP08456 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.2 ClCCOCC BCP15316 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 NCCCCO BCP18612 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.2 O=CCCC=O BCP20105 [0,0,0,0,0,0|1,0,1]=2 4 B4R0.2 C#CCCN BCP19829 [1,0,0,0,0,0|1,0,2]=4 5 B4R0.2 C=CCON BCP19009 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.2 CC#CCBr BCP17711 [1,0,0,0,0,0|1,0,2]=4 7 B4R0.2 CC#CCO BCP07121 [1,0,0,0,0,0|0,0,3]=4 8 B4R0.2 CCN=C=S BCP05940 [1,0,0,0,0,0|1,1,1]=4 9 B4R0.2 CSCCN BCP16561 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.2 ClCCCBr BCP16557 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.2 NCCOC BCP15361 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.2 NOCCO BCP11232 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.1 O=C(C=C)OCC BCP06341 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.1 OC[C@@H](C)COC BCP11697 [0,1,0,0,0,0|1,0,2]=4 15 B6R0.4 BrCCCN(C)C BCP18662 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.4 CC(C)CCCO BCP06801 [0,1,0,0,0,0|0,0,2]=3 17 B6R0.4 CCCCC(N)=N BCP11276 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.4 O=C(O)\C=C\CBr BCP11140 [0,1,0,0,0,0|1,0,2]=4 19 B6R0.4 OC(CSCC)=O BCP05241 [0,1,0,0,0,0|1,0,0]=2 20 B6R0.6 BrCCNCCBr BCP08331 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.6 C=CCCCCO BCP03575 [0,1,0,0,0,0|1,0,0]=2 22 B6R0.6 C=COCCON BCP14665 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.6 CCCCCCO BCP29486 [0,1,0,0,0,0|0,0,2]=3 24 B6R0.6 COCCCCCl BCP14187 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.6 O=CCCCCO BCP10790 [0,1,0,0,0,0|0,0,0]=1 26 B6R0.6 OCCCCOC BCP22070 [0,1,0,0,0,0|0,0,2]=3 27 B6R1.1 C1=CCNCC1 BCP09736 [0,0,0,1,0,0|2,0,0]=3 28 B6R1.1 C1CCCCC1 BCP08072 [0,0,0,1,0,0|1,0,1]=3 29 B6R1.1 C1COCCN1 BCP24054 [0,0,0,1,0,0|1,0,2]=4 30 B6R1.1 C1COCCO1 BCP16201 [0,0,0,1,0,0|1,0,2]=4 31 B6R1.1 N1CCCCC1 BCP15342 [0,0,0,1,0,0|1,0,1]=3 32 B6R1.1 O1CCC=CC1 BCP23557 [0,0,0,1,0,0|2,0,0]=3 33 B6R1.2 CC1CCCO1 BCP16203 [0,0,0,1,0,0|0,0,2]=3 34 B6R1.2 F[C@@H]1CCNC1 BCP14098 [0,0,0,1,0,0|2,0,1]=4 35 B6R1.2 IC1COCC1 BCP14190 [0,0,0,1,0,0|2,0,1]=4 36 B6R1.2 NC1=NCCC1 BCP11252 [0,0,0,1,0,0|2,0,0]=3 37 B6R1.2 N[C@@H]1COCC1 BCP06180 [0,0,0,1,0,0|2,0,1]=4 38 B6R1.2 O=C1COCC1 BCP14176 [0,0,0,1,0,0|1,0,0]=2 39 B6R1.2 O=C1NCCC1 BCP15175 [0,0,0,1,0,0|1,0,0]=2 40 B6R1.2 O=C1OCC=C1 BCP15247 [0,0,0,1,0,0|1,0,2]=4 41 B6R1.2 O=C1SCCN1 BCP16484 [0,0,0,1,0,0|2,0,0]=3 42 B6R1.2 OC1COCC1 BCP13266 [0,0,0,1,0,0|1,0,2]=4 43 B6R1.2 O[C@@H]1CNCC1 BCP14826 [0,0,0,1,0,0|1,0,2]=4 44 B6R1.2 O[C@@H]1CNCC1 BCP15469 [0,0,0,1,0,0|1,0,2]=4 45 B6R1.2 O[C]1COCC1 BCP04605 [0,0,0,1,0,0|1,0,2]=4 46 B6R1.6 BrCC1CCC1 BCP18414 [0,0,0,1,0,0|1,0,1]=3 47 B6R1.6 OCC1CCC1 BCP17767 [0,0,0,1,0,0|0,0,2]=3 48 B3R0.1 C#CC=O BCP06452 [2,0,0,0,0,0|0,0,2]=4 49 B3R0.1 C=CC=O BCP07056 [2,0,0,0,0,0|0,0,2]=4 50 B3R0.1 CCCN BCP18818 [2,0,0,0,0,0|1,0,0]=3 51 B3R0.1 COCCl BCP08223 [2,0,0,0,0,0|2,0,0]=4 52 B3R0.1 NCCS BCP15015 [2,0,0,0,0,0|1,1,0]=4 53 B3R0.1 NCCS BCP15033 [2,0,0,0,0,0|1,1,0]=4 54 B5R0.1 CC(C)N=C=O BCP15287 [1,1,0,0,0,0|1,0,1]=4 55 B5R0.1 CC(OCCl)=O BCP16170 [1,1,0,0,0,0|2,0,0]=4 56 B5R0.1 CN(CCBr)C BCP20000 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.1 C[C@@H](N)CCO BCP01279 [1,1,0,0,0,0|0,0,1]=3 58 B5R0.1 C[C@@H](N)COC BCP19342 [1,1,0,0,0,0|1,0,1]=4 59 B5R0.1 NC(SCC)=N BCP20133 [1,1,0,0,0,0|2,0,0]=4 60 B5R0.1 NNCC(C)C BCP06610 [1,1,0,0,0,0|2,0,0]=4 61 B5R0.1 O=C(Cl)CCBr BCP20557 [1,1,0,0,0,0|1,0,0]=3 62 B5R0.1 O=C(Cl)CCCl BCP09962 [1,1,0,0,0,0|1,0,0]=3 63 B5R0.1 OC(CCO)=O BCP05902 [1,1,0,0,0,0|1,0,0]=3 64 B5R0.1 OC(CCS)=O BCP16636 [1,1,0,0,0,0|1,0,0]=3 65 B5R0.1 [S-]C(OCC)=S BCP29024 [1,1,0,0,0,0|1,1,0]=4 66 B5R0.3 C(C(CN)O)N BCP18704 [1,1,0,0,0,0|2,0,0]=4 67 B5R0.3 C(C(CO)N)O BCP04588 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.3 CC[C](N)CO BCP16938 [1,1,0,0,0,0|0,0,2]=4 69 B5R0.3 NCC(CO)O BCP18703 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.3 O=C(CBr)CC BCP08723 [1,1,0,0,0,0|1,0,1]=4 71 B5R0.3 SC(CS)CO BCP18145 [1,1,0,0,0,0|1,0,1]=4 72 B7R0.2 CC(N)CC(C)CC BCP07039 [0,2,0,0,0,0|1,0,1]=4 73 B7R0.2 CC(N)CC(C)CC BCP18792 [0,2,0,0,0,0|1,0,1]=4 74 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [0,2,0,0,0,0|0,0,0]=2 75 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [0,2,0,0,0,0|1,0,0]=3 76 B7R0.5 COC[C](C(O)=O)N BCP11642 [0,2,0,0,0,0|1,0,1]=4 77 B7R0.5 NC(C(O)=O)CC=C BCP04800 [0,2,0,0,0,0|0,0,2]=4 78 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [0,2,0,0,0,0|1,0,0]=3 79 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [0,2,0,0,0,0|1,0,0]=3 80 B7R0.5 O=C(O)[C](CNC)N BCP09610 [0,2,0,0,0,0|1,0,1]=4 81 B7R0.5 O=C(OCC)C(Cl)=O BCP20422 [0,2,0,0,0,0|1,0,1]=4 82 B7R0.4 O=C(O)CCCCO BCP10662 [0,2,0,0,0,0|0,0,0]=2 83 B7R0.4 OC(\C=C\OCC)=O BCP05609 [0,2,0,0,0,0|0,0,2]=4 84 B7R0.6 O=C(O)CC[N+]([O-])=O BCP15066 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.6 O=C(O)CSC(F)F BCP19125 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.8 CCCNS(N)(=O)=O BCP15431 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.8 CS(=O)(=O)CCCO BCP18464 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.8 O=S(NCCC)(N)=O BCP09330 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.8 O=S([NH-])(NCCC)=O BCP09231 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.8 OP(CCCN)(O)=O BCP08275 [0,2,0,0,0,0|2,0,0]=4 91 B7R0.1 COCCOCCN BCP11312 [0,2,0,0,0,0|1,0,1]=4 92 B5R1.1 C1=CCNC1 BCP09734 [1,0,0,1,0,0|1,0,1]=4 93 B5R1.2 FC1CNC1 BCP14095 [1,0,0,1,0,0|2,0,0]=4 94 B5R1.2 IC1COC1 BCP08336 [1,0,0,1,0,0|2,0,0]=4 95 B5R1.2 NC1COC1 BCP07405 [1,0,0,1,0,0|2,0,0]=4 96 B5R1.2 NC1COC1 BCP10369 [1,0,0,1,0,0|2,0,0]=4 97 B5R1.2 O=C1CCO1 BCP07366 [1,0,0,1,0,0|1,0,0]=3 98 B5R1.2 O=C1CNC1 BCP10186 [1,0,0,1,0,0|1,0,0]=3 99 B5R1.2 O=C1COC1 BCP05482 [1,0,0,1,0,0|1,0,0]=3 100 B5R1.3 C1C(O1)CCl BCP13411 [1,0,0,1,0,0|1,0,1]=4 101 B5R1.3 CNC1CC1 BCP29185 [1,0,0,1,0,0|1,0,1]=4 102 B5R1.3 ClC[C@@H]1OC1 BCP08874 [1,0,0,1,0,0|1,0,1]=4 103 B5R1.3 NNC1CC1 BCP28107 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.1 CCN1CCCC1 BCP07071 [0,1,0,1,0,0|1,0,1]=4 105 B7R1.1 CC[C]1NCCC1 BCP11727 [0,1,0,1,0,0|1,0,1]=4 106 B7R1.1 CNC1COCC1 BCP11597 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.1 O=CC1CCCC1 BCP12309 [0,1,0,1,0,0|0,0,0]=2 108 B7R1.1 OCC1CCCC1 BCP29184 [0,1,0,1,0,0|0,0,2]=4 109 B7R1.1 OC[C@@H]1CNCC1 BCP20710 [0,1,0,1,0,0|0,0,2]=4 110 B7R1.2 O=C1NCC(O)C1 BCP07569 [0,1,0,1,0,0|1,0,0]=3 111 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [0,1,0,1,0,0|1,0,0]=3 112 B7R1.3 C=C1CCNCC1 BCP15107 [0,1,0,1,0,0|1,0,0]=3 113 B7R1.3 CN1CCNCC1 BCP16944 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.3 C[C@@H]1CNCCN1 BCP19769 [0,1,0,1,0,0|1,0,1]=4 115 B7R1.3 C[C@@H]1CNCCO1 BCP07192 [0,1,0,1,0,0|0,0,2]=4 116 B7R1.3 C[C@@H]1NCCOC1 BCP05272 [0,1,0,1,0,0|1,0,1]=4 117 B7R1.3 C[C@@H]1NCCOC1 BCP06972 [0,1,0,1,0,0|1,0,1]=4 118 B7R1.3 IC1CCOCC1 BCP11458 [0,1,0,1,0,0|0,0,2]=4 119 B7R1.3 NC1CCNCC1 BCP01546 [0,1,0,1,0,0|1,0,1]=4 120 B7R1.3 NC1CNCCC1 BCP10242 [0,1,0,1,0,0|1,0,1]=4 121 B7R1.3 N[C]1CNCCC1 BCP08366 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.3 O=C1CCNCC1 BCP15157 [0,1,0,1,0,0|0,0,0]=2 123 B7R1.3 O=C1CCSCC1 BCP09565 [0,1,0,1,0,0|0,0,0]=2 124 B7R1.3 O=C1NCCCC1 BCP00878 [0,1,0,1,0,0|0,0,0]=2 125 B7R1.3 OC1C=CCCC1 BCP18001 [0,1,0,1,0,0|1,0,0]=3 126 B7R1.3 OC1CCCNC1 BCP05290 [0,1,0,1,0,0|0,0,2]=4 127 B7R1.3 OC1CCOCC1 BCP04889 [0,1,0,1,0,0|0,0,2]=4 128 B7R1.3 OC1CNCCC1 BCP05289 [0,1,0,1,0,0|0,0,2]=4 129 B7R1.4 C=C1CCOC1=O BCP18620 [0,1,0,1,0,0|0,0,2]=4 130 B7R1.4 N[C@@H]1CCC[C@H]1O BCP12204 [0,1,0,1,0,0|0,0,2]=4 131 B7R1.4 N[C@H]1CCOC1=O BCP20062 [0,1,0,1,0,0|1,0,0]=3 132 B7R1.4 O=C1CCCN1N BCP15282 [0,1,0,1,0,0|1,0,0]=3 133 B7R1.4 O=C1N(N)CCC1 BCP08744 [0,1,0,1,0,0|1,0,0]=3 134 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [0,1,0,1,0,0|1,0,0]=3 135 B7R1.4 OC1CCNC1=O BCP00893 [0,1,0,1,0,0|1,0,0]=3 136 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [0,1,0,1,0,0|1,0,0]=3 137 B7R1.18 O=C(C1CNC1)O BCP07094 [0,1,0,1,0,0|1,0,0]=3 138 B7R1.18 OB(C1CCC1)O BCP05474 [0,1,0,1,0,0|1,0,1]=4 139 B7R1.20 O=C(O)CC1CC1 BCP05386 [0,1,0,1,0,0|0,0,0]=2 140 B7R1.24 C1CNCCNC1 BCP15067 [0,1,0,1,0,0|1,0,1]=4 141 B7R2.13 C12CNCC1C2 BCP14124 [0,0,0,2,0,0|1,0,1]=4