0 B7R1.3 C=C1CCNCC1 BCP15107 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 CN1CCNCC1 BCP16944 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 C[C@@H]1CNCCN1 BCP19769 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.3 C[C@@H]1CNCCO1 BCP07192 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 C[C@@H]1NCCOC1 BCP05272 [0,0,0,0,0,0|1,0,0]=1 5 B7R1.3 C[C@@H]1NCCOC1 BCP06972 [0,0,0,0,0,0|1,0,0]=1 6 B7R1.3 C[C]1CNCCO1 BCP16612 [0,0,0,0,0,0|2,0,1]=3 7 B7R1.3 IC1CCOCC1 BCP11458 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 NC1CCNCC1 BCP01546 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 NC1CNCCC1 BCP10242 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 N[C]1CNCCC1 BCP08366 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.3 O=C1CCNCC1 BCP15157 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.3 O=C1CCSCC1 BCP09565 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.3 O=C1NCCCC1 BCP00878 [0,0,0,0,0,0|1,0,1]=2 14 B7R1.3 OC1C=CCCC1 BCP18001 [0,0,0,0,0,0|2,0,1]=3 15 B7R1.3 OC1CCCNC1 BCP05290 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 OC1CCOCC1 BCP04889 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.3 OC1CNCCC1 BCP05289 [0,0,0,0,0,0|3,0,0]=3 18 B6R1.1 C1=CCNCC1 BCP09736 [1,0,0,0,0,0|0,0,2]=3 19 B6R1.1 C1CCCCC1 BCP08072 [1,0,0,0,0,0|1,0,0]=2 20 B6R1.1 C1COCCN1 BCP24054 [1,0,0,0,0,0|1,0,0]=2 21 B6R1.1 C1COCCO1 BCP16201 [1,0,0,0,0,0|2,0,0]=3 22 B6R1.1 N1CCCCC1 BCP15342 [1,0,0,0,0,0|0,0,0]=1 23 B6R1.1 O1CCC=CC1 BCP23557 [1,0,0,0,0,0|1,0,2]=4 24 B8R1.2 BrCC1CCCCC1 BCP14928 [0,1,0,0,0,0|1,0,0]=2 25 B8R1.2 ClCC1CCNCC1 BCP19802 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.2 N#CC1CCCCC1 BCP15736 [0,1,0,0,0,0|1,0,1]=3 27 B8R1.2 N#CC1CNCCN1 BCP14178 [0,1,0,0,0,0|1,0,1]=3 28 B8R1.2 N#C[C]1NCCNC1 BCP14180 [0,1,0,0,0,0|1,0,2]=4 29 B8R1.2 NCC1CCOCC1 BCP04866 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.2 NCC1COCCO1 BCP11610 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.2 O=CC1CCOCC1 BCP12387 [0,1,0,0,0,0|2,0,1]=4 32 B8R1.2 O=CN1CCCCC1 BCP20086 [0,1,0,0,0,0|2,0,1]=4 33 B8R1.2 OC[C@@H]1CCCNC1 BCP11184 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.2 OC[C]1CNCCO1 BCP14953 [0,1,0,0,0,0|2,0,1]=4 35 B8R1.3 CN1CCC(CC1)Cl BCP05291 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.3 CN1CCC(N)CC1 BCP05286 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.3 NC1CCC(O)CC1 BCP06182 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.3 N[C]1CC[C](C)CC1 BCP10473 [0,1,0,0,0,0|1,0,2]=4 39 B8R1.3 O=C1NCC(C)CC1 BCP14293 [0,1,0,0,0,0|1,0,1]=3 40 B8R1.3 OC1CCN(C)CC1 BCP05292 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.4 CN1CCNC(=O)C1 BCP17253 [0,1,0,0,0,0|2,0,1]=4 42 B8R1.4 C[C@@H]1CN(C)CCN1 BCP14054 [0,1,0,0,0,0|1,0,0]=2 43 B8R1.4 C[C@@H]1O[C](C)CNC1 BCP10396 [0,1,0,0,0,0|2,0,1]=4 44 B8R1.4 O=C1CC(N)CCN1 BCP07513 [0,1,0,0,0,0|1,0,1]=3 45 B8R1.4 O=C1NCC[C](O)C1 BCP14222 [0,1,0,0,0,0|1,0,2]=4 46 B8R1.4 OC1CCNC(=O)C1 BCP11689 [0,1,0,0,0,0|1,0,1]=3 47 B8R1.5 C[C@@H]1N(C)CCNC1 BCP14030 [0,1,0,0,0,0|1,0,0]=2 48 B8R1.5 N[C]1[C](N)CCCC1 BCP04075 [0,1,0,0,0,0|2,0,1]=4 49 B8R1.5 N[C]1[C](N)CCCC1 BCP22716 [0,1,0,0,0,0|2,0,1]=4 50 B8R1.5 O=C1C(O)CCCO1 BCP06471 [0,1,0,0,0,0|2,0,1]=4 51 B8R1.5 O=C1CCOCC1C BCP07576 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.5 O[C@@H]1[C@@H](O)CCCC1 BCP16536 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.72 CC1(C)CNCCO1 BCP14464 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.72 CC1(C)NCCNC1 BCP15399 [0,1,0,0,0,0|1,0,0]=2 55 B8R1.72 FC1(F)CCCNC1 BCP14274 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.72 O=S1(CCCCO1)=O BCP23575 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.72 OC1(O)CCNCC1 BCP04712 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.1 OC[C@@H](C)COC BCP11697 [0,0,1,0,0,0|3,0,0]=4 59 B6R0.4 BrCCCN(C)C BCP18662 [0,0,1,0,0,0|3,0,0]=4 60 B6R0.4 CC(C)CCCO BCP06801 [0,0,1,0,0,0|2,0,0]=3 61 B6R0.4 CCCCC(N)=N BCP11276 [0,0,1,0,0,0|1,0,1]=3 62 B6R0.6 BrCCNCCBr BCP08331 [0,0,1,0,0,0|3,0,0]=4 63 B6R0.6 C=CCCCCO BCP03575 [0,0,1,0,0,0|1,0,2]=4 64 B6R0.6 CCCCCCO BCP29486 [0,0,1,0,0,0|1,0,0]=2 65 B6R0.6 COCCCCCl BCP14187 [0,0,1,0,0,0|2,0,0]=3 66 B6R0.6 O=CCCCCO BCP10790 [0,0,1,0,0,0|2,0,1]=4 67 B6R0.6 OCCCCOC BCP22070 [0,0,1,0,0,0|2,0,0]=3 68 B8R2.34 C12CC(CO1)NC2 BCP15814 [0,0,0,1,0,0|1,0,0]=2 69 B8R2.34 [C]12CN[C@@H](C1)CO2 BCP13038 [0,0,0,1,0,0|1,0,1]=3 70 B6R1.2 CC1CCCO1 BCP16203 [0,0,0,0,1,0|1,0,0]=2 71 B6R1.2 F[C@@H]1CCNC1 BCP14098 [0,0,0,0,1,0|2,0,0]=3 72 B6R1.2 IC1COCC1 BCP14190 [0,0,0,0,1,0|2,0,0]=3 73 B6R1.2 NC1=NCCC1 BCP11252 [0,0,0,0,1,0|1,0,2]=4 74 B6R1.2 N[C@@H]1COCC1 BCP06180 [0,0,0,0,1,0|2,0,0]=3 75 B6R1.2 O=C1COCC1 BCP14176 [0,0,0,0,1,0|2,0,1]=4 76 B6R1.2 O=C1NCCC1 BCP15175 [0,0,0,0,1,0|1,0,1]=3 77 B6R1.2 O=C1SCCN1 BCP16484 [0,0,0,0,1,0|2,0,1]=4 78 B6R1.2 OC1COCC1 BCP13266 [0,0,0,0,1,0|2,0,0]=3 79 B6R1.2 O[C@@H]1CNCC1 BCP14826 [0,0,0,0,1,0|2,0,0]=3 80 B6R1.2 O[C@@H]1CNCC1 BCP15469 [0,0,0,0,1,0|2,0,0]=3 81 B6R1.2 O[C]1COCC1 BCP04605 [0,0,0,0,1,0|2,0,1]=4 82 B8R1.22 N[C]1CNCCCC1 BCP13365 [0,0,0,0,0,1|1,0,1]=3 83 B5R0.1 CN(CCBr)C BCP20000 [1,0,1,0,0,0|2,0,0]=4 84 B5R0.1 C[C@@H](N)CCO BCP01279 [1,0,1,0,0,0|1,0,0]=3 85 B5R0.1 C[C@@H](N)COC BCP19342 [1,0,1,0,0,0|1,0,0]=3 86 B5R0.1 NNCC(C)C BCP06610 [1,0,1,0,0,0|2,0,0]=4 87 B5R0.2 ClCCOCC BCP15316 [1,0,1,0,0,0|2,0,0]=4 88 B5R0.2 NCCCCO BCP18612 [1,0,1,0,0,0|1,0,0]=3 89 B7R0.2 CC(N)CC(C)CC BCP07039 [0,1,1,0,0,0|1,0,0]=3 90 B7R0.2 CC(N)CC(C)CC BCP18792 [0,1,1,0,0,0|1,0,0]=3 91 B7R0.12 COC(OC)CSC BCP20569 [0,1,1,0,0,0|2,0,0]=4 92 B7R0.1 COCCOCCN BCP11312 [0,1,1,0,0,0|1,0,0]=3 93 B7R0.1 NCC[Se][Se]CCN BCP02640 [0,1,1,0,0,0|2,0,0]=4 94 B7R1.1 CCN1CCCC1 BCP07071 [0,1,0,0,1,0|1,0,0]=3 95 B7R1.1 CC[C]1NCCC1 BCP11727 [0,1,0,0,1,0|0,0,1]=3 96 B7R1.1 CNC1COCC1 BCP11597 [0,1,0,0,1,0|1,0,0]=3 97 B7R1.1 O=CC1CCCC1 BCP12309 [0,1,0,0,1,0|0,0,1]=3 98 B7R1.1 OCC1CCCC1 BCP29184 [0,1,0,0,1,0|0,0,0]=2 99 B7R1.1 OCC1OCCO1 BCP19203 [0,1,0,0,1,0|2,0,0]=4 100 B7R1.1 OC[C@@H]1CNCC1 BCP20710 [0,1,0,0,1,0|1,0,0]=3 101 B7R1.1 OC[C]1CNCC1 BCP20711 [0,1,0,0,1,0|1,0,1]=4 102 B7R1.2 O=C1NCC(O)C1 BCP07569 [0,1,0,0,1,0|1,0,1]=4 103 B7R1.4 N[C@@H]1CCC[C@H]1O BCP12204 [0,1,0,0,1,0|1,0,0]=3 104 B7R1.4 O=C1CCCN1N BCP15282 [0,1,0,0,1,0|1,0,1]=4 105 B7R1.4 O=C1N(N)CCC1 BCP08744 [0,1,0,0,1,0|1,0,1]=4 106 B7R1.4 OC1CCNC1=O BCP00893 [0,1,0,0,1,0|1,0,1]=4 107 B7R1.14 FC1(F)CCNC1 BCP14541 [0,1,0,0,1,0|2,0,0]=4 108 B9R1.5 N[C@H]1CCCCN=C1O BCP01251 [0,1,0,0,0,1|1,0,1]=4 109 B9R1.5 O=C1NCCCC[C]1N BCP14675 [0,1,0,0,0,1|1,0,1]=4 110 B9R1.6 CN(C1CCNCC1)C BCP09592 [0,2,0,0,0,0|2,0,0]=4 111 B9R1.6 OC(=O)[C@@H]1COCCN1 BCP08155 [0,2,0,0,0,0|1,0,1]=4 112 B9R1.8 CCNC1CCOCC1 BCP18073 [0,2,0,0,0,0|2,0,0]=4 113 B9R1.8 CCOC1CCNCC1 BCP11332 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.8 CCOC1CCNCC1 BCP11334 [0,2,0,0,0,0|2,0,0]=4 115 B9R1.8 CNCC1CCOCC1 BCP18404 [0,2,0,0,0,0|2,0,0]=4 116 B9R1.8 NCCC1CCOCC1 BCP19283 [0,2,0,0,0,0|2,0,0]=4 117 B9R1.8 OCC[C@@H]1CCCCN1 BCP14610 [0,2,0,0,0,0|0,0,0]=2 118 B9R1.15 CO[C@@H]1[C@@H](O)CCCC1 BCP12166 [0,2,0,0,0,0|1,0,0]=3 119 B9R1.118 OC1(C#C)CCCCC1 BCP04342 [0,2,0,0,0,0|1,0,1]=4 120 B9R1.118 OC1(CC)CCCCC1 BCP18624 [0,2,0,0,0,0|1,0,0]=3 121 B9R1.10 CC1(CCC(CC1)=O)C BCP07623 [0,2,0,0,0,0|1,0,1]=4 122 B9R1.69 CC1CN(C)CCC1=O BCP06571 [0,2,0,0,0,0|2,0,0]=4 123 B9R1.34 O=C1CC(C)OC(C)C1 BCP20532 [0,2,0,0,0,0|1,0,1]=4 124 B9R1.66 O=C1CCCC(C)(C)C1 BCP15134 [0,2,0,0,0,0|1,0,1]=4 125 B7R1.24 C1CNCCNC1 BCP15067 [0,0,1,1,0,0|1,0,0]=3 126 B7R2.13 C12CNCC1C2 BCP14124 [1,0,0,1,0,0|0,0,0]=2 127 B9R2.68 O1CC2CCC(C1)N2 BCP13277 [0,0,0,1,0,1|2,0,0]=4 128 B9R2.49 C12CCN(CC1)CC2 BCP12936 [0,1,0,1,0,0|2,0,0]=4 129 B9R2.174 C12(CC1)NCCNC2 BCP09976 [0,1,0,1,0,0|1,0,0]=3 130 B9R2.174 C12(CC1)NCCNC2 BCP28326 [0,1,0,1,0,0|1,0,0]=3 131 B9R2.95 CC1(C)[C@@H]2CNC[C]12 BCP07143 [0,1,0,1,0,0|2,0,0]=4 132 B5R1.1 C1=CCNC1 BCP09734 [1,0,0,0,1,0|0,0,2]=4 133 B5R1.2 FC1CNC1 BCP14095 [0,0,0,0,2,0|2,0,0]=4 134 B5R1.2 IC1COC1 BCP08336 [0,0,0,0,2,0|2,0,0]=4 135 B5R1.2 NC1COC1 BCP07405 [0,0,0,0,2,0|2,0,0]=4 136 B5R1.2 NC1COC1 BCP10369 [0,0,0,0,2,0|2,0,0]=4