0 B5R0.1 C#CCN(C)C BBL027718 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=C(C)CCO BBL027415 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 C=COC(C)=O BBL036266 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 CC(=O)CCO BBL028076 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.1 CC(C)=CCO BBL011665 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(C)CC=O BBL027631 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CC(C)CCBr BBL011503 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 CC(C)CCS BBL027486 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CC(O)CCO BBL037424 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.1 CCCC(=O)Cl BBL011417 [0,0,0,0,0,0|1,0,0]=1 10 B5R0.1 CCCC(C)O BBL011460 [0,0,0,0,0,0|0,0,2]=2 11 B5R0.1 CCC[N+](=O)[O-] BBL011437 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.1 CCOC(=O)Cl BBL011487 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.1 CNCC(=O)O BBL009707 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.1 CNCC(N)=O BBL011928 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.1 COCC(=O)Cl BBL027308 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.1 CSCC(C)=O BBL100878 [0,0,0,0,0,0|1,0,0]=1 17 B5R0.1 C\C=C\C(=O)Cl BBL011366 [0,0,0,0,0,0|1,0,2]=3 18 B5R0.1 C\C=C\C(=O)O BBL027395 [0,0,0,0,0,0|1,0,2]=3 19 B5R0.1 NC(=O)CCCl BBL011453 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.1 NCCC(=O)O BBL037332 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.1 O=C(Cl)CCBr BBL011521 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.1 O=C(O)CCCl BBL012215 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.1 C#CC(=O)O BBL011346 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 C=C(C)C#N BBL011404 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 CC(=O)CCl BBL036265 [1,0,0,0,0,0|1,0,0]=2 26 B4R0.1 CC(=O)CO BBL011436 [1,0,0,0,0,0|1,0,0]=2 27 B4R0.1 CC(=O)NN BBL018600 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 CC(C)CBr BBL036259 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 CC(N)CN BBL027674 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 CC(O)CCl BBL011446 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 CC(O)CN BBL027685 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.1 CC(O)CO BBL011472 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 CCC(C)O BBL011463 [1,0,0,0,0,0|0,0,2]=3 34 B4R0.1 CNC(=N)N BBL011356 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 CNC(N)=O BBL013131 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 COC(=N)N BBL009722 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 COC(=O)Cl BBL011482 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 COC(N)=O BBL011430 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 CSC(=N)N BBL013049 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 C\C(N)=N\O BBL005334 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 NC(=O)NO BBL009928 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 NNC(N)=O BBL012207 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 O=C(Br)CBr BBL027286 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 O=C(Cl)CCl BBL013127 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 O=C(O)CCl BBL037260 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.2 BrCCCBr BBL011375 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 CCCCCl BBL012221 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.2 CCCCI BBL027320 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.2 CCCCN BBL027788 [1,0,0,0,0,0|1,0,1]=3 50 B4R0.2 CNCCN BBL027689 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.2 CNCCO BBL027408 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.2 C\C=C\C#N BBL036260 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.2 C\C=C\C=O BBL011428 [1,0,0,0,0,0|0,0,2]=3 54 B4R0.2 C\C=C\CO BBL027414 [1,0,0,0,0,0|1,0,1]=3 55 B4R0.2 N#CCCBr BBL011566 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.2 N#CCCO BBL027405 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.2 NCCCBr BBL010090 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.2 NCCCCl BBL009705 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.2 NCCCN BBL027701 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.2 NNCCO BBL027648 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.2 OCCCBr BBL027416 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.1 C=CC(=O)OCC BBL011497 [0,1,0,0,0,0|1,0,1]=3 63 B6R0.1 CCC\C(N)=N\O BBL005361 [0,1,0,0,0,0|1,0,1]=3 64 B6R0.1 CCOC(=O)CBr BBL027288 [0,1,0,0,0,0|1,0,0]=2 65 B6R0.1 CCOC(=O)CCl BBL012578 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.1 CCOC(=O)CS BBL011508 [0,1,0,0,0,0|1,0,0]=2 67 B6R0.1 CCOC(=O)NN BBL027647 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.1 CNCC(=O)NC BBL030504 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.1 CNCC(C)OC BBL003985 [0,1,0,0,0,0|1,0,2]=4 70 B6R0.1 CNCC(O)CO BBL028168 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.1 COC(=O)CCBr BBL027291 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.1 COC(=O)CCN BBL010085 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.1 COCC(=O)NN BBL013411 [0,1,0,0,0,0|2,0,0]=3 74 B6R0.1 N#CCC(=O)NN BBL010619 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.2 CC(=O)NC(=N)N BBL013469 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.2 CC(=O)NC(N)=S BBL011418 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.2 CC(C)=CC(=O)Cl BBL027309 [0,1,0,0,0,0|1,0,2]=4 78 B6R0.2 CC(C)CC(=O)Cl BBL027310 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.2 CC(C)CC(=O)O BBL027399 [0,1,0,0,0,0|1,0,0]=2 80 B6R0.2 CC(C)OC(=S)[S-] BBL011317 [0,1,0,0,0,0|2,1,0]=4 81 B6R0.2 CC(O)CC(=O)O BBL027467 [0,1,0,0,0,0|1,0,0]=2 82 B6R0.2 CN(C)CC(N)=S BBL029022 [0,1,0,0,0,0|2,1,0]=4 83 B6R0.2 CN(C)CN(C)C BBL027709 [0,1,0,0,0,0|3,0,0]=4 84 B6R0.2 N=C(N)CC(N)=O BBL018903 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 CCC(Br)C(=O)O BBL011564 [0,1,0,0,0,0|1,0,0]=2 86 B6R0.3 CCC(N)C(=O)O BBL012213 [0,1,0,0,0,0|1,0,0]=2 87 B6R0.3 CNC(C)C(=O)O BBL022510 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.3 COC(=O)C(C)=O BBL027724 [0,1,0,0,0,0|1,0,1]=3 89 B6R0.3 C\C=C(\C)C(=O)O BBL012257 [0,1,0,0,0,0|1,0,2]=4 90 B6R0.3 NC(CO)C(=O)O BBL012102 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.3 NC(CS)C(=O)O BBL012104 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.4 C#CCOC(=O)Cl BBL028473 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.4 C=CCCC(=O)O BBL027458 [0,1,0,0,0,0|1,0,1]=3 94 B6R0.4 C=CCNC(N)=O BBL011340 [0,1,0,0,0,0|1,0,2]=4 95 B6R0.4 C=CCOC(=O)Cl BBL011109 [0,1,0,0,0,0|1,0,2]=4 96 B6R0.4 CC(=O)CCCCl BBL010617 [0,1,0,0,0,0|0,0,0]=1 97 B6R0.4 CC(=O)NCCN BBL027688 [0,1,0,0,0,0|1,0,0]=2 98 B6R0.4 CC(C)OCCCl BBL030951 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.4 CCCCC(=O)Cl BBL012216 [0,1,0,0,0,0|1,0,0]=2 100 B6R0.4 CCCCC(C)=O BBL011434 [0,1,0,0,0,0|0,0,0]=1 101 B6R0.4 CN(C)CCC#N BBL013139 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.4 CN(C)CCCO BBL011401 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.4 CNCCC(N)=O BBL023425 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.4 NCCCC(=O)O BBL008590 [0,1,0,0,0,0|1,0,0]=2 105 B6R0.4 O=C(Cl)CCCCl BBL011409 [0,1,0,0,0,0|1,0,0]=2 106 B6R0.5 CCCS(=O)(=O)Cl BBL027643 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.5 CNCC(C)(C)C BBL023208 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.5 C[N+](C)(C)CCO BBL005532 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.5 NCCS(N)(=O)=O BBL030896 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.5 O=S(=O)([O-])CCS BBL033929 [0,1,0,0,0,0|3,0,0]=4 111 B6R1.2 NC1=NCCC1 BBL031757 [0,0,0,1,0,0|2,0,0]=3 112 B6R1.2 NC1=NCCS1 BBL000029 [0,0,0,1,0,0|2,1,0]=4 113 B6R1.2 NC1CCCC1 BBL036999 [0,0,0,1,0,0|1,0,1]=3 114 B6R1.2 O=C1C=CCC1 BBL100014 [0,0,0,1,0,0|0,0,2]=3 115 B6R1.2 O=C1CCSC1 BBL027522 [0,0,0,1,0,0|1,0,0]=2 116 B6R1.2 O=C1OCCO1 BBL011402 [0,0,0,1,0,0|2,0,0]=3 117 B6R1.2 SC1=NCCS1 BBL027511 [0,0,0,1,0,0|2,1,0]=4 118 B6R1.11 O=C(Cl)C1CC1 BBL011354 [0,0,0,1,0,0|1,0,0]=2 119 B3R0.1 CNC=O BBL027430 [2,0,0,0,0,0|1,0,0]=3 120 B3R0.1 ClCCBr BBL011345 [2,0,0,0,0,0|2,0,0]=4 121 B3R0.1 NCCCl BBL011524 [2,0,0,0,0,0|2,0,0]=4 122 B3R0.1 O=CC=O BBL011519 [2,0,0,0,0,0|1,0,1]=4 123 B3R0.1 OCCCl BBL011477 [2,0,0,0,0,0|1,0,1]=4 124 B3R0.1 OCCF BBL027407 [2,0,0,0,0,0|1,0,1]=4 125 B3R0.1 OCCI BBL037216 [2,0,0,0,0,0|1,0,1]=4 126 B3R0.1 SCCS BBL011363 [2,0,0,0,0,0|1,1,0]=4 127 B3R0.2 CC(C)Br BBL027287 [2,0,0,0,0,0|1,0,1]=4 128 B3R0.2 CC(C)I BBL012222 [2,0,0,0,0,0|1,0,1]=4 129 B5R0.3 C=CC(=O)OC BBL011432 [1,1,0,0,0,0|0,0,2]=4 130 B5R0.3 CCC(=O)CC BBL027755 [1,1,0,0,0,0|0,0,0]=2 131 B5R0.3 CCC(=O)NN BBL036933 [1,1,0,0,0,0|1,0,0]=3 132 B5R0.3 CCC(=O)NO BBL011342 [1,1,0,0,0,0|1,0,0]=3 133 B5R0.3 CCC(N)CO BBL027677 [1,1,0,0,0,0|1,0,1]=4 134 B5R0.3 CNC(=O)NC BBL011513 [1,1,0,0,0,0|1,0,0]=3 135 B5R0.3 COC(=O)CO BBL009725 [1,1,0,0,0,0|1,0,0]=3 136 B5R0.3 COC(=O)CS BBL011360 [1,1,0,0,0,0|1,0,0]=3 137 B5R0.3 COC(=O)NN BBL027646 [1,1,0,0,0,0|2,0,0]=4 138 B5R0.5 C=C(C)C(=O)Cl BBL010941 [1,1,0,0,0,0|1,0,1]=4 139 B5R0.5 C=C(C)C(=O)O BBL011616 [1,1,0,0,0,0|1,0,1]=4 140 B5R0.5 C=C(C)C(N)=O BBL011416 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.5 CC(=O)C(=O)O BBL027390 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.5 CC(=O)C(F)F BBL039784 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.5 CC(C)C(=N)N BBL011900 [1,1,0,0,0,0|2,0,0]=4 144 B5R0.5 CC(C)[N+](=O)[O-] BBL011484 [1,1,0,0,0,0|2,0,0]=4 145 B5R0.5 CC(O)C(=O)O BBL027466 [1,1,0,0,0,0|1,0,0]=3 146 B5R0.5 CC(O)C(N)=O BBL012097 [1,1,0,0,0,0|1,0,0]=3 147 B5R0.5 CC(S)C(=O)O BBL011561 [1,1,0,0,0,0|1,0,0]=3 148 B5R0.5 CN(C)C(=O)Cl BBL027301 [1,1,0,0,0,0|2,0,0]=4 149 B5R0.5 C[C@H](N)C(N)=O BBL011232 [1,1,0,0,0,0|1,0,0]=3 150 B5R0.5 NC(=O)C(Cl)Cl BBL013005 [1,1,0,0,0,0|2,0,0]=4 151 B5R0.5 O=C(Cl)C(Cl)Cl BBL011412 [1,1,0,0,0,0|2,0,0]=4 152 B5R0.5 O=C(O)C(Cl)Cl BBL011449 [1,1,0,0,0,0|2,0,0]=4 153 B5R0.2 BrCCCCBr BBL027293 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.2 CCCCC=O BBL027632 [1,1,0,0,0,0|0,0,0]=2 155 B5R0.2 CCCCCN BBL011398 [1,1,0,0,0,0|0,0,1]=3 156 B5R0.2 CCNCCO BBL027409 [1,1,0,0,0,0|0,0,2]=4 157 B5R0.2 CCOCCBr BBL013472 [1,1,0,0,0,0|1,0,1]=4 158 B5R0.2 CNCCC#N BBL011478 [1,1,0,0,0,0|1,0,1]=4 159 B5R0.2 CNCCCN BBL011479 [1,1,0,0,0,0|1,0,0]=3 160 B5R0.2 COCCCN BBL011597 [1,1,0,0,0,0|1,0,0]=3 161 B5R0.2 NCCCCN BBL027703 [1,1,0,0,0,0|1,0,1]=4 162 B5R0.2 O=C=NCCCl BBL027370 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.2 CC(C)CC(=O)NN BBL016229 [0,2,0,0,0,0|1,0,0]=3 164 B7R0.2 CC(C)NC(=O)CN BBL030729 [0,2,0,0,0,0|1,0,0]=3 165 B7R0.2 CC(O)CC(=O)NN BBL008678 [0,2,0,0,0,0|1,0,0]=3 166 B7R0.2 CNC(C)CC(C)C BBL023276 [0,2,0,0,0,0|1,0,1]=4 167 B7R0.2 CNC(C)CC(N)=O BBL024637 [0,2,0,0,0,0|1,0,0]=3 168 B7R0.2 COC(=O)CC(C)=O BBL011420 [0,2,0,0,0,0|0,0,1]=3 169 B7R0.2 COC(=O)CC(C)C BBL011395 [0,2,0,0,0,0|0,0,0]=2 170 B7R0.3 CCCCC(=O)CC BBL011476 [0,2,0,0,0,0|0,0,0]=2 171 B7R0.3 CCCCC(=O)NN BBL027902 [0,2,0,0,0,0|1,0,0]=3 172 B7R0.3 CCOCC(=O)NN BBL023356 [0,2,0,0,0,0|1,0,0]=3 173 B7R0.3 CNC(=O)CCCN BBL022745 [0,2,0,0,0,0|0,0,0]=2 174 B7R0.3 CNCCC(=O)NC BBL023441 [0,2,0,0,0,0|0,0,0]=2 175 B7R0.3 CNCC\C(N)=N\O BBL035311 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.3 COC(=O)CCCCl BBL011535 [0,2,0,0,0,0|0,0,0]=2 177 B7R0.3 COC(=O)\C=C\CBr BBL011112 [0,2,0,0,0,0|0,0,2]=4 178 B7R0.3 COCC\C(N)=N\O BBL018147 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.3 CO\C=C\C(=O)OC BBL028237 [0,2,0,0,0,0|0,0,2]=4 180 B7R0.3 NNC(=O)CCCO BBL009673 [0,2,0,0,0,0|1,0,0]=3 181 B7R0.5 C=C(C)C(=O)OCC BBL011403 [0,2,0,0,0,0|1,0,0]=3 182 B7R0.5 CC(=O)N(C)CCO BBL003665 [0,2,0,0,0,0|1,0,0]=3 183 B7R0.5 CCNC(=O)C(=O)O BBL005118 [0,2,0,0,0,0|1,0,1]=4 184 B7R0.5 CCOC(=O)C(=O)Cl BBL027307 [0,2,0,0,0,0|1,0,1]=4 185 B7R0.5 CCOC(=O)C(C)=O BBL027737 [0,2,0,0,0,0|0,0,1]=3 186 B7R0.5 CCOC(=O)C(F)F BBL027798 [0,2,0,0,0,0|1,0,0]=3 187 B7R0.5 CCOC(=O)C(N)=O BBL013006 [0,2,0,0,0,0|1,0,1]=4 188 B7R0.5 CCOC(=O)[C@H](C)O BBL009712 [0,2,0,0,0,0|1,0,0]=3 189 B7R0.7 CCCC(=O)CCC BBL009715 [0,2,0,0,0,0|0,0,0]=2 190 B7R0.7 CCCC(N)CCC BBL003306 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.7 CCNC(=O)CCCl BBL037203 [0,2,0,0,0,0|1,0,0]=3 192 B7R0.7 CCOC(=O)CC#N BBL012203 [0,2,0,0,0,0|1,0,0]=3 193 B7R0.7 CCOC(=O)CNN BBL012499 [0,2,0,0,0,0|1,0,0]=3 194 B7R0.7 C\C=C\C(=O)OCC BBL027753 [0,2,0,0,0,0|1,0,0]=3 195 B7R0.7 O=C(NCO)NCO BBL000676 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.10 CNC(=O)C(=O)NC BBL012545 [0,2,0,0,0,0|1,0,1]=4 197 B7R0.10 COC(=O)C(=O)OC BBL011507 [0,2,0,0,0,0|1,0,1]=4 198 B7R0.10 COC(=O)C(N)CO BBL028002 [0,2,0,0,0,0|1,0,0]=3 199 B7R0.10 COC(C)C(=O)NN BBL023722 [0,2,0,0,0,0|2,0,0]=4 200 B7R0.9 CC(=O)CC(C)(C)O BBL027463 [0,2,0,0,0,0|0,0,0]=2 201 B7R0.16 CC(=O)C(Cl)C(C)=O BBL011522 [0,2,0,0,0,0|0,0,1]=3 202 B7R0.16 CC(C)C(Br)C(=O)O BBL010942 [0,2,0,0,0,0|1,0,0]=3 203 B7R0.16 CC(O)C(N)C(=O)O BBL011585 [0,2,0,0,0,0|1,0,0]=3 204 B7R0.13 COC(C)(C)C(=O)O BBL013945 [0,2,0,0,0,0|2,0,0]=4 205 B7R0.15 CCC(CC)C(=O)O BBL018400 [0,2,0,0,0,0|1,0,0]=3 206 B7R0.15 CCC(NC)C(=O)O BBL022845 [0,2,0,0,0,0|1,0,0]=3 207 B7R0.15 COC(OC)C(C)=O BBL011442 [0,2,0,0,0,0|1,0,0]=3 208 B7R0.4 CCCCCC(C)=O BBL011381 [0,2,0,0,0,0|0,0,0]=2 209 B7R0.4 CCCCOC(=O)Cl BBL011392 [0,2,0,0,0,0|1,0,0]=3 210 B7R0.4 CCCOCC(=O)O BBL008506 [0,2,0,0,0,0|1,0,0]=3 211 B7R0.4 CCC\C=C/C(=O)O BBL029832 [0,2,0,0,0,0|1,0,0]=3 212 B7R0.4 NCCCCC(=O)O BBL027702 [0,2,0,0,0,0|1,0,0]=3 213 B7R0.6 CC(=O)CCC(=O)O BBL027404 [0,2,0,0,0,0|0,0,1]=3 214 B7R0.6 CC(=O)CCC(C)=O BBL027731 [0,2,0,0,0,0|0,0,0]=2 215 B7R0.6 CC(=O)CCN(C)C BBL013551 [0,2,0,0,0,0|0,0,0]=2 216 B7R0.6 CC(=O)NCC(=O)O BBL020087 [0,2,0,0,0,0|1,0,1]=4 217 B7R0.6 CC(=O)\C=C\C(C)C BBL027791 [0,2,0,0,0,0|0,0,1]=3 218 B7R0.6 CC(=O)\C=C\N(C)C BBL028273 [0,2,0,0,0,0|0,0,2]=4 219 B7R0.6 CC(C)COC(=O)Cl BBL011424 [0,2,0,0,0,0|1,0,0]=3 220 B7R0.6 CC(C)OCC(=O)O BBL031299 [0,2,0,0,0,0|1,0,0]=3 221 B7R0.6 CN(C)CCN(C)C BBL011565 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.6 O=C(O)CCC(=O)O BBL002473 [0,2,0,0,0,0|1,0,1]=4 223 B7R0.8 O=S(=O)(Cl)CCCCl BBL027644 [0,2,0,0,0,0|2,0,0]=4 224 B5R1.3 CCC1CO1 BBL011530 [1,0,0,1,0,0|0,0,2]=4 225 B7R1.1 OCC1CCCN1 BBL021035 [0,1,0,1,0,0|1,0,1]=4 226 B7R1.2 CC1CCC(=O)O1 BBL011475 [0,1,0,1,0,0|1,0,0]=3 227 B7R1.2 CC1COC(=O)O1 BBL027518 [0,1,0,1,0,0|1,0,0]=3 228 B7R1.2 NC1=CC(=O)CC1 BBL032125 [0,1,0,1,0,0|0,0,2]=4 229 B7R1.2 O=C1C=C(Cl)CC1 BBL032126 [0,1,0,1,0,0|0,0,2]=4 230 B7R1.2 O=C1CCC(=O)C1 BBL011146 [0,1,0,1,0,0|0,0,1]=3 231 B7R1.3 NN1CCCCC1 BBL027587 [0,1,0,1,0,0|2,0,0]=4 232 B7R1.3 NN1CCOCC1 BBL027563 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.3 O=C1CCCCN1 BBL027557 [0,1,0,1,0,0|0,0,0]=2 234 B7R1.3 O=C1CCOCC1 BBL027597 [0,1,0,1,0,0|0,0,0]=2 235 B7R1.3 OC1CCCCC1 BBL013186 [0,1,0,1,0,0|0,0,2]=4 236 B7R1.3 SC1=NCCCN1 BBL027546 [0,1,0,1,0,0|1,1,0]=4 237 B7R1.4 NC1CCOC1=O BBL027998 [0,1,0,1,0,0|1,0,0]=3 238 B7R1.4 NC1CCSC1=O BBL028068 [0,1,0,1,0,0|1,0,0]=3 239 B7R1.4 NC1CONC1=O BBL016489 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.22 C\C(=N/O)C1CC1 BBL028988 [0,1,0,1,0,0|0,0,1]=3 241 B7R1.22 NNC(=O)C1CC1 BBL008116 [0,1,0,1,0,0|1,0,0]=3 242 B7R1.22 N\C(=N/O)C1CC1 BBL005473 [0,1,0,1,0,0|1,0,1]=4 243 B7R1.18 O=C(O)C1CNC1 BBL101508 [0,1,0,1,0,0|1,0,0]=3 244 B7R1.7 CCCCC1CO1 BBL011099 [0,1,0,1,0,0|0,0,2]=4 245 B7R1.14 O=S1(=O)CCCO1 BBL036695 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.14 O=[SH+]1(=[O-])CCCC1 BBL033862 [0,1,0,1,0,0|1,0,0]=3