0 B4R0.1 C#CC(=O)O BBL011346 [0,0,0,0,0,0|0,0,2]=2 1 B4R0.1 C#CC(C)O BBL013177 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.1 C=C(C)C#N BBL011404 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 CC(=O)CCl BBL036265 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 CC(=O)CO BBL011436 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 CC(=O)NN BBL018600 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 CC(C)CBr BBL036259 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 CC(N)CN BBL027674 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 CC(O)CCl BBL011446 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 CC(O)CN BBL027685 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 CC(O)CO BBL011472 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 CCC(C)O BBL011463 [0,0,0,0,0,0|1,0,1]=2 12 B4R0.1 CNC(=N)N BBL011356 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.1 CNC(N)=O BBL013131 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.1 COC(=N)N BBL009722 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 COC(=O)Cl BBL011482 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 COC(N)=O BBL011430 [0,0,0,0,0,0|2,0,0]=2 17 B4R0.1 CSC(=N)N BBL013049 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.1 C\C(N)=N\O BBL005334 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.1 NC(=O)NO BBL009928 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 NCC(F)F BBL104334 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 NNC(N)=O BBL012207 [0,0,0,0,0,0|3,0,0]=3 22 B4R0.1 O=C(Br)CBr BBL027286 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.1 O=C(Cl)CCl BBL013127 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 O=C(O)CCl BBL037260 [0,0,0,0,0,0|1,0,0]=1 25 B4R0.1 OCC(F)F BBL038231 [0,0,0,0,0,0|3,0,1]=4 26 B3R0.1 C#CCN BBL027696 [1,0,0,0,0,0|2,0,1]=4 27 B3R0.1 C#CCO BBL011350 [1,0,0,0,0,0|0,0,3]=4 28 B3R0.1 CN=C=S BBL011120 [1,0,0,0,0,0|1,1,1]=4 29 B3R0.1 CNC=O BBL027430 [1,0,0,0,0,0|1,0,0]=2 30 B3R0.1 ClCCBr BBL011345 [1,0,0,0,0,0|2,0,1]=4 31 B3R0.1 N#CCN BBL009721 [1,0,0,0,0,0|2,0,1]=4 32 B3R0.1 NCCCl BBL011524 [1,0,0,0,0,0|2,0,1]=4 33 B3R0.1 O=CC=O BBL011519 [1,0,0,0,0,0|1,0,1]=3 34 B3R0.1 OCCCl BBL011477 [1,0,0,0,0,0|1,0,1]=3 35 B3R0.1 OCCF BBL027407 [1,0,0,0,0,0|1,0,1]=3 36 B3R0.1 OCCI BBL037216 [1,0,0,0,0,0|1,0,1]=3 37 B3R0.1 SCCS BBL011363 [1,0,0,0,0,0|1,1,1]=4 38 B3R0.2 CC(C)Br BBL027287 [1,0,0,0,0,0|2,0,1]=4 39 B3R0.2 CC(C)I BBL012222 [1,0,0,0,0,0|2,0,1]=4 40 B3R0.2 NC(=S)[S-] BBL035348 [1,0,0,0,0,0|1,2,0]=4 41 B3R0.2 S=C(Cl)Cl BBL027488 [1,0,0,0,0,0|2,1,0]=4 42 B5R0.1 C=C(C)CCO BBL027415 [0,1,0,0,0,0|2,0,0]=3 43 B5R0.1 C=COC(C)=O BBL036266 [0,1,0,0,0,0|1,0,2]=4 44 B5R0.1 CC(=O)CCO BBL028076 [0,1,0,0,0,0|1,0,0]=2 45 B5R0.1 CC(C)=CCO BBL011665 [0,1,0,0,0,0|2,0,1]=4 46 B5R0.1 CC(C)CCBr BBL011503 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.1 CC(C)CCS BBL027486 [0,1,0,0,0,0|2,0,1]=4 48 B5R0.1 CC(O)CCO BBL037424 [0,1,0,0,0,0|1,0,1]=3 49 B5R0.1 CCCC(=O)Cl BBL011417 [0,1,0,0,0,0|1,0,0]=2 50 B5R0.1 CCCC(C)O BBL011460 [0,1,0,0,0,0|1,0,1]=3 51 B5R0.1 CCC[N+](=O)[O-] BBL011437 [0,1,0,0,0,0|1,0,1]=3 52 B5R0.1 CCOC(=O)Cl BBL011487 [0,1,0,0,0,0|1,0,0]=2 53 B5R0.1 CNCC(=O)O BBL009707 [0,1,0,0,0,0|0,0,0]=1 54 B5R0.1 CNCC(N)=O BBL011928 [0,1,0,0,0,0|1,0,0]=2 55 B5R0.1 COCC(=O)Cl BBL027308 [0,1,0,0,0,0|1,0,0]=2 56 B5R0.1 CSCC(C)=O BBL100878 [0,1,0,0,0,0|1,0,0]=2 57 B5R0.1 C\C=C\C(=O)Cl BBL011366 [0,1,0,0,0,0|1,0,1]=3 58 B5R0.1 C\C=C\C(=O)O BBL027395 [0,1,0,0,0,0|0,0,1]=2 59 B5R0.1 NC(=O)CCCl BBL011453 [0,1,0,0,0,0|1,0,0]=2 60 B5R0.1 NCCC(=O)O BBL037332 [0,1,0,0,0,0|0,0,0]=1 61 B5R0.1 O=C(Cl)CCBr BBL011521 [0,1,0,0,0,0|1,0,0]=2 62 B5R0.1 O=C(O)CCCl BBL012215 [0,1,0,0,0,0|0,0,0]=1 63 B5R0.3 C=CC(=O)OC BBL011432 [0,1,0,0,0,0|0,0,2]=3 64 B5R0.3 CCC(=O)CC BBL027755 [0,1,0,0,0,0|1,0,0]=2 65 B5R0.3 CCC(=O)NN BBL036933 [0,1,0,0,0,0|1,0,0]=2 66 B5R0.3 CCC(=O)NO BBL011342 [0,1,0,0,0,0|0,0,0]=1 67 B5R0.3 CCC(N)CO BBL027677 [0,1,0,0,0,0|1,0,1]=3 68 B5R0.3 CNC(=O)NC BBL011513 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.3 CNC(=S)NN BBL003412 [0,1,0,0,0,0|2,1,0]=4 70 B5R0.3 COC(=O)CO BBL009725 [0,1,0,0,0,0|1,0,0]=2 71 B5R0.3 COC(=O)CS BBL011360 [0,1,0,0,0,0|1,0,0]=2 72 B5R0.3 COC(=O)NN BBL027646 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.3 NCC(O)CN BBL011378 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.3 OCC(O)CCl BBL011374 [0,1,0,0,0,0|1,0,2]=4 75 B5R0.4 NCS(=O)(=O)O BBL027684 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.4 NOS(=O)(=O)O BBL011058 [0,1,0,0,0,0|3,0,0]=4 77 B5R0.5 C=C(C)C(=O)Cl BBL010941 [0,1,0,0,0,0|1,0,1]=3 78 B5R0.5 C=C(C)C(=O)O BBL011616 [0,1,0,0,0,0|0,0,1]=2 79 B5R0.5 C=C(C)C(N)=O BBL011416 [0,1,0,0,0,0|1,0,1]=3 80 B5R0.5 CC(=O)C(=O)O BBL027390 [0,1,0,0,0,0|0,0,1]=2 81 B5R0.5 CC(=O)C(F)F BBL039784 [0,1,0,0,0,0|2,0,0]=3 82 B5R0.5 CC(C)C(=N)N BBL011900 [0,1,0,0,0,0|2,0,0]=3 83 B5R0.5 CC(C)[N+](=O)[O-] BBL011484 [0,1,0,0,0,0|1,0,1]=3 84 B5R0.5 CC(O)C(=O)O BBL027466 [0,1,0,0,0,0|0,0,0]=1 85 B5R0.5 CC(O)C(N)=O BBL012097 [0,1,0,0,0,0|1,0,0]=2 86 B5R0.5 CC(S)C(=O)O BBL011561 [0,1,0,0,0,0|0,0,0]=1 87 B5R0.5 CN(C)C(=N)N BBL029880 [0,1,0,0,0,0|3,0,0]=4 88 B5R0.5 CN(C)C(=O)Cl BBL027301 [0,1,0,0,0,0|2,0,0]=3 89 B5R0.5 CN(C)C(=S)Cl BBL027489 [0,1,0,0,0,0|2,1,0]=4 90 B5R0.5 CN(C)C(=S)[S-] BBL012267 [0,1,0,0,0,0|1,2,0]=4 91 B5R0.5 C[C@H](N)C(N)=O BBL011232 [0,1,0,0,0,0|1,0,0]=2 92 B5R0.5 NC(=O)C(Cl)Cl BBL013005 [0,1,0,0,0,0|2,0,0]=3 93 B5R0.5 O=C(Cl)C(=O)Cl BBL011493 [0,1,0,0,0,0|2,0,1]=4 94 B5R0.5 O=C(Cl)C(Cl)Cl BBL011412 [0,1,0,0,0,0|2,0,0]=3 95 B5R0.5 O=C(O)C(=O)O BBL003000 [0,1,0,0,0,0|1,0,1]=3 96 B5R0.5 O=C(O)C(Cl)Cl BBL011449 [0,1,0,0,0,0|1,0,0]=2 97 B5R1.2 OC1CNC1 BBL023120 [0,0,0,1,0,0|2,0,1]=4 98 B5R1.3 CCC1CO1 BBL011530 [0,0,0,1,0,0|1,0,1]=3 99 B2R0.1 CCI BBL034620 [2,0,0,0,0,0|1,0,0]=3 100 B2R0.1 CNN BBL011339 [2,0,0,0,0,0|2,0,0]=4 101 B2R0.1 CON BBL028003 [2,0,0,0,0,0|2,0,0]=4 102 B2R0.1 ICI BBL011419 [2,0,0,0,0,0|2,0,0]=4 103 B2R0.1 N=CN BBL011114 [2,0,0,0,0,0|2,0,0]=4 104 B4R0.2 BrCCCBr BBL011375 [1,1,0,0,0,0|1,0,1]=4 105 B4R0.2 CCCCCl BBL012221 [1,1,0,0,0,0|1,0,1]=4 106 B4R0.2 CCCCI BBL027320 [1,1,0,0,0,0|1,0,1]=4 107 B4R0.2 CCCCN BBL027788 [1,1,0,0,0,0|1,0,1]=4 108 B4R0.2 CNCCN BBL027689 [1,1,0,0,0,0|1,0,1]=4 109 B4R0.2 CNCCO BBL027408 [1,1,0,0,0,0|0,0,1]=3 110 B4R0.2 C\C=C\C#N BBL036260 [1,1,0,0,0,0|1,0,1]=4 111 B4R0.2 C\C=C\C=O BBL011428 [1,1,0,0,0,0|0,0,1]=3 112 B4R0.2 C\C=C\CO BBL027414 [1,1,0,0,0,0|0,0,1]=3 113 B4R0.2 N#CCCBr BBL011566 [1,1,0,0,0,0|1,0,1]=4 114 B4R0.2 N#CCCO BBL027405 [1,1,0,0,0,0|0,0,2]=4 115 B4R0.2 NCCCBr BBL010090 [1,1,0,0,0,0|1,0,1]=4 116 B4R0.2 NCCCCl BBL009705 [1,1,0,0,0,0|1,0,1]=4 117 B4R0.2 NCCCN BBL027701 [1,1,0,0,0,0|1,0,1]=4 118 B4R0.2 NNCCO BBL027648 [1,1,0,0,0,0|1,0,1]=4 119 B4R0.2 OCCCBr BBL027416 [1,1,0,0,0,0|0,0,1]=3 120 B6R0.1 C=CC(=O)OCC BBL011497 [0,2,0,0,0,0|1,0,0]=3 121 B6R0.1 CCC(C)N=C=O BBL037641 [0,2,0,0,0,0|1,0,1]=4 122 B6R0.1 CCC\C(N)=N\O BBL005361 [0,2,0,0,0,0|1,0,0]=3 123 B6R0.1 CCOC(=O)CBr BBL027288 [0,2,0,0,0,0|1,0,0]=3 124 B6R0.1 CCOC(=O)CCl BBL012578 [0,2,0,0,0,0|1,0,0]=3 125 B6R0.1 CCOC(=O)CS BBL011508 [0,2,0,0,0,0|0,1,0]=3 126 B6R0.1 CCOC(=O)NN BBL027647 [0,2,0,0,0,0|1,0,0]=3 127 B6R0.1 CNCC(=O)NC BBL030504 [0,2,0,0,0,0|1,0,0]=3 128 B6R0.1 CNCC(C)OC BBL003985 [0,2,0,0,0,0|1,0,1]=4 129 B6R0.1 CNCC(O)CO BBL028168 [0,2,0,0,0,0|0,0,2]=4 130 B6R0.1 COC(=O)CCBr BBL027291 [0,2,0,0,0,0|0,0,0]=2 131 B6R0.1 COC(=O)CCN BBL010085 [0,2,0,0,0,0|0,0,0]=2 132 B6R0.1 COCC(=O)NN BBL013411 [0,2,0,0,0,0|1,0,0]=3 133 B6R0.1 N#CCC(=O)NN BBL010619 [0,2,0,0,0,0|1,0,1]=4 134 B6R0.2 CC(C)=CC(=O)Cl BBL027309 [0,2,0,0,0,0|1,0,1]=4 135 B6R0.2 CC(C)CC(=O)Cl BBL027310 [0,2,0,0,0,0|1,0,0]=3 136 B6R0.2 CC(C)CC(=O)O BBL027399 [0,2,0,0,0,0|0,0,0]=2 137 B6R0.2 CC(C)OC(=S)[S-] BBL011317 [0,2,0,0,0,0|0,2,0]=4 138 B6R0.2 CC(O)CC(=O)O BBL027467 [0,2,0,0,0,0|0,0,0]=2 139 B6R0.2 CN(C)CC(N)=S BBL029022 [0,2,0,0,0,0|1,1,0]=4 140 B6R0.2 N=C(N)CC(N)=O BBL018903 [0,2,0,0,0,0|1,0,1]=4 141 B6R0.3 CC(C)C(=O)NN BBL013917 [0,2,0,0,0,0|1,0,0]=3 142 B6R0.3 CC(C)\C(N)=N\O BBL005403 [0,2,0,0,0,0|1,0,0]=3 143 B6R0.3 CCC(Br)C(=O)O BBL011564 [0,2,0,0,0,0|0,0,0]=2 144 B6R0.3 CCC(N)C(=O)O BBL012213 [0,2,0,0,0,0|0,0,0]=2 145 B6R0.3 CNC(=O)C(C)N BBL012983 [0,2,0,0,0,0|1,0,0]=3 146 B6R0.3 CNC(C)C(=O)O BBL022510 [0,2,0,0,0,0|0,0,0]=2 147 B6R0.3 COC(=O)C(C)=O BBL027724 [0,2,0,0,0,0|0,0,1]=3 148 B6R0.3 COC(=O)C(C)Cl BBL100013 [0,2,0,0,0,0|0,0,0]=2 149 B6R0.3 C\C=C(\C)C(=O)O BBL012257 [0,2,0,0,0,0|0,0,1]=3 150 B6R0.3 NC(CO)C(=O)O BBL012102 [0,2,0,0,0,0|0,0,0]=2 151 B6R0.3 NC(CS)C(=O)O BBL012104 [0,2,0,0,0,0|0,0,0]=2 152 B6R0.4 C#CCOC(=O)Cl BBL028473 [0,2,0,0,0,0|1,0,1]=4 153 B6R0.4 C=CCCC(=O)O BBL027458 [0,2,0,0,0,0|0,0,0]=2 154 B6R0.4 C=CCNC(N)=O BBL011340 [0,2,0,0,0,0|1,0,1]=4 155 B6R0.4 C=CCOC(=O)Cl BBL011109 [0,2,0,0,0,0|1,0,1]=4 156 B6R0.4 CC(=O)CCCCl BBL010617 [0,2,0,0,0,0|1,0,0]=3 157 B6R0.4 CC(=O)NCCN BBL027688 [0,2,0,0,0,0|1,0,0]=3 158 B6R0.4 CCCCC(=O)Cl BBL012216 [0,2,0,0,0,0|1,0,0]=3 159 B6R0.4 CCCCC(C)=O BBL011434 [0,2,0,0,0,0|1,0,0]=3 160 B6R0.4 CNCCC(N)=O BBL023425 [0,2,0,0,0,0|1,0,0]=3 161 B6R0.4 NCCCC(=O)O BBL008590 [0,2,0,0,0,0|0,0,0]=2 162 B6R0.4 O=C(Cl)CCCCl BBL011409 [0,2,0,0,0,0|1,0,0]=3 163 B6R0.5 CCCS(=O)(=O)Cl BBL027643 [0,2,0,0,0,0|1,0,1]=4 164 B6R0.5 NCCS(N)(=O)=O BBL030896 [0,2,0,0,0,0|1,0,1]=4 165 B6R0.5 O=S(=O)([O-])CCS BBL033929 [0,2,0,0,0,0|1,0,1]=4 166 B6R0.8 COS(=O)(=O)OC BBL034656 [0,2,0,0,0,0|2,0,0]=4 167 B6R0.8 O=P(O)(CCl)CCl BBL028262 [0,2,0,0,0,0|2,0,0]=4 168 B6R0.7 CC(C)(C)C(=O)Cl BBL011382 [0,2,0,0,0,0|1,0,0]=3 169 B6R0.7 CC(C)(N)C(=O)O BBL027672 [0,2,0,0,0,0|0,0,0]=2 170 B6R0.7 CC(C)(N)C(N)=O BBL022550 [0,2,0,0,0,0|1,0,0]=3 171 B6R0.7 CC(C)S(=O)(=O)Cl BBL027642 [0,2,0,0,0,0|1,0,1]=4 172 B6R0.7 NC(=O)C(F)(F)F BBL027671 [0,2,0,0,0,0|2,0,0]=4 173 B6R1.2 NC1=NCCC1 BBL031757 [0,1,0,1,0,0|2,0,0]=4 174 B6R1.2 NC1=NCCS1 BBL000029 [0,1,0,1,0,0|1,1,0]=4 175 B6R1.2 O=C1C=CCC1 BBL100014 [0,1,0,1,0,0|1,0,0]=3 176 B6R1.2 O=C1CCSC1 BBL027522 [0,1,0,1,0,0|0,1,0]=3 177 B6R1.2 O=C1OC=CO1 BBL027517 [0,1,0,1,0,0|0,0,2]=4 178 B6R1.2 O=C1OCCO1 BBL011402 [0,1,0,1,0,0|0,0,0]=2 179 B6R1.2 SC1=NCCS1 BBL027511 [0,1,0,1,0,0|0,2,0]=4 180 B6R1.11 O=C(Cl)C1CC1 BBL011354 [0,1,0,1,0,0|1,0,0]=3