0 B6R1.2 NC1=NCCC1 BBL031757 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.2 NC1=NCCS1 BBL000029 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 NC1CCCC1 BBL036999 [0,0,0,0,0,0|1,0,1]=2 3 B6R1.2 O=C1C=CCC1 BBL100014 [0,0,0,0,0,0|0,0,2]=2 4 B6R1.2 O=C1CCSC1 BBL027522 [0,0,0,0,0,0|1,0,0]=1 5 B6R1.2 O=C1NC=NN1 BBL028622 [0,0,0,0,0,0|3,0,1]=4 6 B6R1.2 O=C1OC=CO1 BBL027517 [0,0,0,0,0,0|2,0,2]=4 7 B6R1.2 O=C1OCCO1 BBL011402 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 SC1=NCCS1 BBL027511 [0,0,0,0,0,0|2,1,0]=3 9 B7R1.1 CNC1CCSC1 BBL035010 [0,1,0,0,0,0|2,0,1]=4 10 B7R1.1 OCC1CCCN1 BBL021035 [0,1,0,0,0,0|1,0,2]=4 11 B7R1.2 CC1CCC(=O)O1 BBL011475 [0,1,0,0,0,0|1,0,0]=2 12 B7R1.2 CC1COC(=O)O1 BBL027518 [0,1,0,0,0,0|2,0,0]=3 13 B7R1.2 NC1=CC(=O)CC1 BBL032125 [0,1,0,0,0,0|0,0,2]=3 14 B7R1.2 NC1=NNC(=O)C1 BBL011764 [0,1,0,0,0,0|2,0,1]=4 15 B7R1.2 O=C1C=C(Cl)CC1 BBL032126 [0,1,0,0,0,0|0,0,2]=3 16 B7R1.2 O=C1CCC(=O)C1 BBL011146 [0,1,0,0,0,0|0,0,1]=2 17 B7R1.2 O=C1CNC(=O)N1 BBL013200 [0,1,0,0,0,0|2,0,1]=4 18 B7R1.2 O=C1CNC(=S)N1 BBL037427 [0,1,0,0,0,0|2,0,1]=4 19 B7R1.2 O=C1CNC(=S)S1 BBL029808 [0,1,0,0,0,0|2,0,1]=4 20 B7R1.4 NC1CCOC1=O BBL027998 [0,1,0,0,0,0|1,0,0]=2 21 B7R1.4 NC1CCSC1=O BBL028068 [0,1,0,0,0,0|1,0,0]=2 22 B7R1.4 NC1CONC1=O BBL016489 [0,1,0,0,0,0|2,0,0]=3 23 B7R1.4 N[C@@H]1CSC[C@@H]1O BBL012757 [0,1,0,0,0,0|1,0,2]=4 24 B7R1.4 OC1COCC1O BBL029389 [0,1,0,0,0,0|1,0,2]=4 25 B7R1.14 O=S1(=O)C=CCC1 BBL012811 [0,1,0,0,0,0|1,0,2]=4 26 B7R1.14 O=S1(=O)CCCO1 BBL036695 [0,1,0,0,0,0|2,0,0]=3 27 B7R1.14 O=[SH+]1(=[O-])CCCC1 BBL033862 [0,1,0,0,0,0|1,0,0]=2 28 B5R0.1 C=C(C)CCO BBL027415 [0,0,1,0,0,0|2,0,0]=3 29 B5R0.1 C=COC(C)=O BBL036266 [0,0,1,0,0,0|1,0,2]=4 30 B5R0.1 CC(=O)CCO BBL028076 [0,0,1,0,0,0|1,0,0]=2 31 B5R0.1 CC(C)=CCO BBL011665 [0,0,1,0,0,0|2,0,1]=4 32 B5R0.1 CC(C)CCBr BBL011503 [0,0,1,0,0,0|2,0,1]=4 33 B5R0.1 CC(C)CCS BBL027486 [0,0,1,0,0,0|2,0,1]=4 34 B5R0.1 CC(O)CCO BBL037424 [0,0,1,0,0,0|1,0,2]=4 35 B5R0.1 CCCC(=O)Cl BBL011417 [0,0,1,0,0,0|1,0,0]=2 36 B5R0.1 CCCC(C)O BBL011460 [0,0,1,0,0,0|0,0,2]=3 37 B5R0.1 CCC[N+](=O)[O-] BBL011437 [0,0,1,0,0,0|2,0,0]=3 38 B5R0.1 CCOC(=O)Cl BBL011487 [0,0,1,0,0,0|2,0,0]=3 39 B5R0.1 CNCC(=O)O BBL009707 [0,0,1,0,0,0|2,0,0]=3 40 B5R0.1 CNCC(N)=O BBL011928 [0,0,1,0,0,0|2,0,0]=3 41 B5R0.1 COCC(=O)Cl BBL027308 [0,0,1,0,0,0|2,0,0]=3 42 B5R0.1 CSCC(C)=O BBL100878 [0,0,1,0,0,0|1,0,0]=2 43 B5R0.1 C\C=C\C(=O)Cl BBL011366 [0,0,1,0,0,0|1,0,2]=4 44 B5R0.1 C\C=C\C(=O)O BBL027395 [0,0,1,0,0,0|1,0,2]=4 45 B5R0.1 NC(=O)CCCl BBL011453 [0,0,1,0,0,0|2,0,0]=3 46 B5R0.1 NCCC(=O)O BBL037332 [0,0,1,0,0,0|2,0,0]=3 47 B5R0.1 O=C(Cl)CCBr BBL011521 [0,0,1,0,0,0|2,0,0]=3 48 B5R0.1 O=C(O)CCCl BBL012215 [0,0,1,0,0,0|2,0,0]=3 49 B5R0.2 BrCCCCBr BBL027293 [0,0,1,0,0,0|2,0,1]=4 50 B5R0.2 CCCCC=O BBL027632 [0,0,1,0,0,0|0,0,0]=1 51 B5R0.2 CCCCCN BBL011398 [0,0,1,0,0,0|1,0,1]=3 52 B5R0.2 CCNCCO BBL027409 [0,0,1,0,0,0|1,0,2]=4 53 B5R0.2 CCOCCBr BBL013472 [0,0,1,0,0,0|2,0,1]=4 54 B5R0.2 CNCCC#N BBL011478 [0,0,1,0,0,0|2,0,1]=4 55 B5R0.2 CNCCCN BBL011479 [0,0,1,0,0,0|2,0,1]=4 56 B5R0.2 COCCCN BBL011597 [0,0,1,0,0,0|2,0,1]=4 57 B5R0.2 NCCCCN BBL027703 [0,0,1,0,0,0|2,0,1]=4 58 B5R0.2 O=C=NCCCl BBL027370 [0,0,1,0,0,0|2,0,1]=4 59 B5R0.3 C=CC(=O)OC BBL011432 [0,0,1,0,0,0|1,0,2]=4 60 B5R0.3 CCC(=O)CC BBL027755 [0,0,1,0,0,0|0,0,0]=1 61 B5R0.3 CCC(=O)NN BBL036933 [0,0,1,0,0,0|2,0,0]=3 62 B5R0.3 CCC(=O)NO BBL011342 [0,0,1,0,0,0|2,0,0]=3 63 B5R0.3 CCC(N)CO BBL027677 [0,0,1,0,0,0|2,0,1]=4 64 B5R0.3 CNC(=O)NC BBL011513 [0,0,1,0,0,0|2,0,0]=3 65 B5R0.3 COC(=O)CO BBL009725 [0,0,1,0,0,0|2,0,0]=3 66 B5R0.3 COC(=O)CS BBL011360 [0,0,1,0,0,0|2,0,0]=3 67 B5R0.3 COC(=O)NN BBL027646 [0,0,1,0,0,0|3,0,0]=4 68 B5R1.2 OC1CNC1 BBL023120 [0,0,0,0,1,0|1,0,2]=4 69 B7R1.3 NN1CCCCC1 BBL027587 [0,0,0,0,0,1|2,0,0]=3 70 B7R1.3 NN1CCOCC1 BBL027563 [0,0,0,0,0,1|2,0,0]=3 71 B7R1.3 O=C1CCCCN1 BBL027557 [0,0,0,0,0,1|0,0,0]=1 72 B7R1.3 O=C1CCOCC1 BBL027597 [0,0,0,0,0,1|0,0,0]=1 73 B7R1.3 OC1CCCCC1 BBL013186 [0,0,0,0,0,1|0,0,2]=3 74 B7R1.3 OC1COCOC1 BBL011466 [0,0,0,0,0,1|1,0,2]=4 75 B7R1.3 SC1=NCCCN1 BBL027546 [0,0,0,0,0,1|1,1,0]=3 76 B4R0.1 CC(=O)CCl BBL036265 [1,0,1,0,0,0|1,0,0]=3 77 B4R0.1 CC(=O)CO BBL011436 [1,0,1,0,0,0|1,0,0]=3 78 B4R0.1 CC(=O)NN BBL018600 [1,0,1,0,0,0|2,0,0]=4 79 B4R0.1 CCC(C)O BBL011463 [1,0,1,0,0,0|0,0,2]=4 80 B4R0.1 CNC(N)=O BBL013131 [1,0,1,0,0,0|2,0,0]=4 81 B4R0.1 COC(=O)Cl BBL011482 [1,0,1,0,0,0|2,0,0]=4 82 B4R0.1 COC(N)=O BBL011430 [1,0,1,0,0,0|2,0,0]=4 83 B4R0.1 O=C(Br)CBr BBL027286 [1,0,1,0,0,0|2,0,0]=4 84 B4R0.1 O=C(Cl)CCl BBL013127 [1,0,1,0,0,0|2,0,0]=4 85 B4R0.1 O=C(O)CCl BBL037260 [1,0,1,0,0,0|2,0,0]=4 86 B4R0.2 BrCCCBr BBL011375 [1,0,1,0,0,0|2,0,0]=4 87 B4R0.2 CCCCCl BBL012221 [1,0,1,0,0,0|1,0,0]=3 88 B4R0.2 CCCCI BBL027320 [1,0,1,0,0,0|1,0,0]=3 89 B4R0.2 CCCCN BBL027788 [1,0,1,0,0,0|1,0,0]=3 90 B4R0.2 CNCCN BBL027689 [1,0,1,0,0,0|2,0,0]=4 91 B4R0.2 CNCCO BBL027408 [1,0,1,0,0,0|1,0,1]=4 92 B4R0.2 C\C=C\C=O BBL011428 [1,0,1,0,0,0|0,0,2]=4 93 B4R0.2 C\C=C\CO BBL027414 [1,0,1,0,0,0|1,0,1]=4 94 B4R0.2 NCCCBr BBL010090 [1,0,1,0,0,0|2,0,0]=4 95 B4R0.2 NCCCCl BBL009705 [1,0,1,0,0,0|2,0,0]=4 96 B4R0.2 NCCCN BBL027701 [1,0,1,0,0,0|2,0,0]=4 97 B4R0.2 OCCCBr BBL027416 [1,0,1,0,0,0|1,0,1]=4 98 B6R0.1 C=CC(=O)OCC BBL011497 [0,1,1,0,0,0|1,0,1]=4 99 B6R0.1 CCC\C(N)=N\O BBL005361 [0,1,1,0,0,0|1,0,1]=4 100 B6R0.1 CCOC(=O)CBr BBL027288 [0,1,1,0,0,0|1,0,0]=3 101 B6R0.1 CCOC(=O)CCl BBL012578 [0,1,1,0,0,0|1,0,0]=3 102 B6R0.1 CCOC(=O)CS BBL011508 [0,1,1,0,0,0|1,0,0]=3 103 B6R0.1 CCOC(=O)NN BBL027647 [0,1,1,0,0,0|2,0,0]=4 104 B6R0.1 CNCC(=O)NC BBL030504 [0,1,1,0,0,0|1,0,0]=3 105 B6R0.1 COC(=O)CCBr BBL027291 [0,1,1,0,0,0|1,0,0]=3 106 B6R0.1 COC(=O)CCN BBL010085 [0,1,1,0,0,0|1,0,0]=3 107 B6R0.1 COCC(=O)NN BBL013411 [0,1,1,0,0,0|2,0,0]=4 108 B6R0.2 CC(C)CC(=O)Cl BBL027310 [0,1,1,0,0,0|1,0,0]=3 109 B6R0.2 CC(C)CC(=O)O BBL027399 [0,1,1,0,0,0|1,0,0]=3 110 B6R0.2 CC(O)CC(=O)O BBL027467 [0,1,1,0,0,0|1,0,0]=3 111 B6R0.3 CCC(Br)C(=O)O BBL011564 [0,1,1,0,0,0|1,0,0]=3 112 B6R0.3 CCC(N)C(=O)O BBL012213 [0,1,1,0,0,0|1,0,0]=3 113 B6R0.3 CNC(C)C(=O)O BBL022510 [0,1,1,0,0,0|2,0,0]=4 114 B6R0.3 COC(=O)C(C)=O BBL027724 [0,1,1,0,0,0|1,0,1]=4 115 B6R0.3 NC(CO)C(=O)O BBL012102 [0,1,1,0,0,0|2,0,0]=4 116 B6R0.3 NC(CS)C(=O)O BBL012104 [0,1,1,0,0,0|2,0,0]=4 117 B6R0.4 C=CCCC(=O)O BBL027458 [0,1,1,0,0,0|1,0,1]=4 118 B6R0.4 CC(=O)CCCCl BBL010617 [0,1,1,0,0,0|0,0,0]=2 119 B6R0.4 CC(=O)NCCN BBL027688 [0,1,1,0,0,0|1,0,0]=3 120 B6R0.4 CCCCC(=O)Cl BBL012216 [0,1,1,0,0,0|1,0,0]=3 121 B6R0.4 CCCCC(C)=O BBL011434 [0,1,1,0,0,0|0,0,0]=2 122 B6R0.4 CN(C)CCCO BBL011401 [0,1,1,0,0,0|2,0,0]=4 123 B6R0.4 CNCCC(N)=O BBL023425 [0,1,1,0,0,0|1,0,0]=3 124 B6R0.4 NCCCC(=O)O BBL008590 [0,1,1,0,0,0|1,0,0]=3 125 B6R0.4 O=C(Cl)CCCCl BBL011409 [0,1,1,0,0,0|1,0,0]=3 126 B6R0.5 CCCS(=O)(=O)Cl BBL027643 [0,1,1,0,0,0|2,0,0]=4 127 B6R0.6 BrCCCCCBr BBL012205 [0,1,1,0,0,0|1,0,1]=4 128 B6R0.6 CCCCCCBr BBL012217 [0,1,1,0,0,0|1,0,1]=4 129 B6R0.6 CCCCCCI BBL011465 [0,1,1,0,0,0|1,0,1]=4 130 B6R0.6 CCCCCCN BBL011106 [0,1,1,0,0,0|1,0,1]=4 131 B6R0.6 CCCCN=C=O BBL027371 [0,1,1,0,0,0|0,0,1]=3 132 B6R0.6 CCCCOC=O BBL012218 [0,1,1,0,0,0|0,0,0]=2 133 B6R0.6 CCCNCCC BBL027756 [0,1,1,0,0,0|1,0,1]=4 134 B6R0.6 CCOCCCN BBL027700 [0,1,1,0,0,0|1,0,1]=4 135 B6R0.6 NCCCCCN BBL027704 [0,1,1,0,0,0|1,0,1]=4 136 B8R1.2 BrCC1CCCCO1 BBL027774 [0,1,0,0,0,1|1,0,1]=4 137 B8R1.2 CCC1CCCCN1 BBL100012 [0,1,0,0,0,1|1,0,1]=4 138 B8R1.2 CNC1CCSCC1 BBL032171 [0,1,0,0,0,1|1,0,1]=4 139 B8R1.2 COC1CCNCC1 BBL025762 [0,1,0,0,0,1|0,0,2]=4 140 B8R1.2 ClCC1CCCCO1 BBL027598 [0,1,0,0,0,1|1,0,1]=4 141 B8R1.2 N#CC1CCOCC1 BBL018006 [0,1,0,0,0,1|1,0,1]=4 142 B8R1.3 CC1CCC(N)CC1 BBL036898 [0,1,0,0,0,1|1,0,1]=4 143 B8R1.3 CN1CCC(O)CC1 BBL012985 [0,1,0,0,0,1|0,0,2]=4 144 B8R1.3 CN1CCN(N)CC1 BBL027562 [0,1,0,0,0,1|2,0,0]=4 145 B8R1.3 O=C1CCC(=O)CC1 BBL027348 [0,1,0,0,0,1|0,0,0]=2 146 B8R1.4 CC1CCCC(=O)C1 BBL013179 [0,1,0,0,0,1|0,0,0]=2 147 B8R1.4 CC1CCNC(C)C1 BBL038129 [0,1,0,0,0,1|1,0,1]=4 148 B8R1.4 CN1CCCC(O)C1 BBL027590 [0,1,0,0,0,1|0,0,2]=4 149 B8R1.5 CC1CCCCC1=O BBL011421 [0,1,0,0,0,1|0,0,0]=2 150 B8R1.5 NC1CCCCC1N BBL027344 [0,1,0,0,0,1|1,0,1]=4 151 B8R1.5 O=C1CCCCC1Cl BBL011103 [0,1,0,0,0,1|0,0,0]=2 152 B8R1.5 OC1CCCCC1O BBL027442 [0,1,0,0,0,1|0,0,2]=4 153 B8R1.72 OC1(O)CCNCC1 BBL009716 [0,1,0,0,0,1|0,0,2]=4 154 B8R1.1 O=C1NCC(CCl)O1 BBL027510 [0,2,0,0,0,0|2,0,0]=4 155 B8R1.7 NC(=O)C1CCCN1 BBL010815 [0,2,0,0,0,0|1,0,1]=4 156 B8R1.7 O=C(O)C1CCCO1 BBL001404 [0,2,0,0,0,0|1,0,1]=4 157 B8R1.7 S=C([S-])N1CCCC1 BBL033985 [0,2,0,0,0,0|1,1,0]=4 158 B8R1.8 ClCCN1CCCC1 BBL005577 [0,2,0,0,0,0|2,0,0]=4 159 B8R1.8 NCCN1CCCC1 BBL037752 [0,2,0,0,0,0|2,0,0]=4 160 B8R1.8 O=C=NC1CCCC1 BBL036935 [0,2,0,0,0,0|0,0,1]=3 161 B8R1.8 OCCN1CCCC1 BBL027420 [0,2,0,0,0,0|1,0,1]=4 162 B8R1.8 S=C=NC1CCCC1 BBL027955 [0,2,0,0,0,0|0,1,1]=4 163 B8R1.50 O=C1CCC(=O)N1Cl BBL027530 [0,2,0,0,0,0|1,0,1]=4 164 B8R1.50 O=C1COC(=O)C1Cl BBL011023 [0,2,0,0,0,0|1,0,1]=4 165 B8R1.51 NC1CCS(=O)(=O)C1 BBL012872 [0,2,0,0,0,0|1,0,0]=3 166 B8R1.51 O=S1(=O)CCC(O)C1 BBL028289 [0,2,0,0,0,0|1,0,0]=3 167 B6R1.11 O=C(Cl)C1CC1 BBL011354 [0,0,1,1,0,0|1,0,0]=3 168 B8R2.25 C1CCC2OC2C1 BBL011411 [0,0,0,1,0,1|0,0,2]=4 169 B8R1.22 CN1CCCNCC1 BBL004956 [0,0,0,0,0,2|2,0,0]=4 170 B8R1.22 NC1=NCCCCC1 BBL012958 [0,0,0,0,0,2|1,0,0]=3 171 B8R1.22 O=C1CCCCCO1 BBL011394 [0,0,0,0,0,2|0,0,0]=2