0 B5R0.5 C=C(C)C(=O)Cl BBL010941 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 C=C(C)C(=O)O BBL011616 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.5 C=C(C)C(N)=O BBL011416 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.5 CC(=O)C(=O)O BBL027390 [0,0,0,0,0,0|0,0,2]=2 4 B5R0.5 CC(=O)C(F)F BBL039784 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.5 CC(C)C(=N)N BBL011900 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.5 CC(C)[N+](=O)[O-] BBL011484 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.5 CC(O)C(=O)O BBL027466 [0,0,0,0,0,0|0,0,0]=0 8 B5R0.5 CC(O)C(N)=O BBL012097 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.5 CC(S)C(=O)O BBL011561 [0,0,0,0,0,0|0,1,0]=1 10 B5R0.5 CN(C)C(=N)N BBL029880 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.5 CN(C)C(=O)Cl BBL027301 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.5 CN(C)C(=S)Cl BBL027489 [0,0,0,0,0,0|3,1,0]=4 13 B5R0.5 CN(C)C(=S)[S-] BBL012267 [0,0,0,0,0,0|2,2,0]=4 14 B5R0.5 C[C@H](N)C(N)=O BBL011232 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.5 NC(=O)C(Cl)Cl BBL013005 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.5 O=C(Cl)C(=O)Cl BBL011493 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.5 O=C(Cl)C(Cl)Cl BBL011412 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.5 O=C(O)C(=O)O BBL003000 [0,0,0,0,0,0|1,0,1]=2 19 B5R0.5 O=C(O)C(Cl)Cl BBL011449 [0,0,0,0,0,0|2,0,0]=2 20 B4R0.1 C#CC(=O)O BBL011346 [1,0,0,0,0,0|0,0,2]=3 21 B4R0.1 C#CC(C)O BBL013177 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 CC(=O)CCl BBL036265 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 CC(=O)CO BBL011436 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.1 CC(=O)NN BBL018600 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 CC(C)C=O BBL034648 [1,0,0,0,0,0|1,0,0]=2 26 B4R0.1 CC(C)CBr BBL036259 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 CC(N)CN BBL027674 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CC(O)CCl BBL011446 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 CC(O)CN BBL027685 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 CC(O)CO BBL011472 [1,0,0,0,0,0|0,0,1]=2 31 B4R0.1 CCC(C)O BBL011463 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 CNC(=N)N BBL011356 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 CNC(N)=O BBL013131 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 COC(=N)N BBL009722 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 COC(=O)Cl BBL011482 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 COC(N)=O BBL011430 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 CSC(=N)N BBL013049 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 C\C(N)=N\O BBL005334 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 NC(=O)NO BBL009928 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 NNC(N)=O BBL012207 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 O=C(Br)CBr BBL027286 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 O=C(Cl)CCl BBL013127 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 O=C(O)CCl BBL037260 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 OCC(F)F BBL038231 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.3 CC(C)C(=O)NN BBL013917 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.3 CC(C)\C(N)=N\O BBL005403 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.3 CCC(Br)C(=O)O BBL011564 [0,1,0,0,0,0|1,0,0]=2 48 B6R0.3 CCC(N)C(=O)O BBL012213 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.3 CNC(=O)C(C)N BBL012983 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.3 CNC(C)C(=O)O BBL022510 [0,1,0,0,0,0|1,0,0]=2 51 B6R0.3 COC(=O)C(C)=O BBL027724 [0,1,0,0,0,0|0,0,2]=3 52 B6R0.3 COC(=O)C(C)Cl BBL100013 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.3 C\C=C(\C)C(=O)O BBL012257 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.3 NC(CO)C(=O)O BBL012102 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.3 NC(CS)C(=O)O BBL012104 [0,1,0,0,0,0|1,0,0]=2 56 B6R0.7 CC(C)(C)C(=O)Cl BBL011382 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.7 CC(C)(N)C(=O)O BBL027672 [0,1,0,0,0,0|1,0,0]=2 58 B6R0.7 CC(C)(N)C(N)=O BBL022550 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.7 CC(C)S(=O)(=O)Cl BBL027642 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.7 NC(=O)C(F)(F)F BBL027671 [0,1,0,0,0,0|3,0,0]=4 61 B6R1.11 O=C(Cl)C1CC1 BBL011354 [0,0,0,1,0,0|2,0,0]=3 62 B6R0.2 CC(C)=CC(=O)Cl BBL027309 [0,0,0,0,0,1|2,0,1]=4 63 B6R0.2 CC(C)CC(=O)Cl BBL027310 [0,0,0,0,0,1|2,0,0]=3 64 B6R0.2 CC(C)CC(=O)O BBL027399 [0,0,0,0,0,1|1,0,0]=2 65 B6R0.2 CC(C)OC(=S)[S-] BBL011317 [0,0,0,0,0,1|1,2,0]=4 66 B6R0.2 CC(O)CC(=O)O BBL027467 [0,0,0,0,0,1|0,0,0]=1 67 B3R0.1 C#CCO BBL011350 [2,0,0,0,0,0|1,0,1]=4 68 B3R0.1 CNC=O BBL027430 [2,0,0,0,0,0|1,0,0]=3 69 B3R0.1 O=CC=O BBL011519 [2,0,0,0,0,0|0,0,2]=4 70 B3R0.1 OCCCl BBL011477 [2,0,0,0,0,0|1,0,1]=4 71 B3R0.1 OCCF BBL027407 [2,0,0,0,0,0|1,0,1]=4 72 B3R0.1 OCCI BBL037216 [2,0,0,0,0,0|1,0,1]=4 73 B3R0.2 CC(C)Br BBL027287 [2,0,0,0,0,0|1,0,1]=4 74 B3R0.2 CC(C)I BBL012222 [2,0,0,0,0,0|1,0,1]=4 75 B5R0.1 C=C(C)CCO BBL027415 [1,1,0,0,0,0|2,0,0]=4 76 B5R0.1 CC(=O)CCO BBL028076 [1,1,0,0,0,0|1,0,0]=3 77 B5R0.1 CC(C)=CCO BBL011665 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.1 CC(C)CC=O BBL027631 [1,1,0,0,0,0|1,0,0]=3 79 B5R0.1 CC(C)N=C=O BBL037676 [1,1,0,0,0,0|1,0,1]=4 80 B5R0.1 CC(O)CCO BBL037424 [1,1,0,0,0,0|0,0,1]=3 81 B5R0.1 CCCC(=O)Cl BBL011417 [1,1,0,0,0,0|1,0,0]=3 82 B5R0.1 CCCC(C)O BBL011460 [1,1,0,0,0,0|1,0,1]=4 83 B5R0.1 CCC[N+](=O)[O-] BBL011437 [1,1,0,0,0,0|1,0,1]=4 84 B5R0.1 CCOC(=O)Cl BBL011487 [1,1,0,0,0,0|1,0,0]=3 85 B5R0.1 CNCC(=O)O BBL009707 [1,1,0,0,0,0|0,0,0]=2 86 B5R0.1 CNCC(N)=O BBL011928 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.1 COCC(=O)Cl BBL027308 [1,1,0,0,0,0|1,0,0]=3 88 B5R0.1 CSCC(C)=O BBL100878 [1,1,0,0,0,0|1,0,0]=3 89 B5R0.1 C\C=C\C(=O)Cl BBL011366 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.1 C\C=C\C(=O)O BBL027395 [1,1,0,0,0,0|0,0,1]=3 91 B5R0.1 NC(=O)CCCl BBL011453 [1,1,0,0,0,0|1,0,0]=3 92 B5R0.1 NCCC(=O)O BBL037332 [1,1,0,0,0,0|0,0,0]=2 93 B5R0.1 O=C(Cl)CCBr BBL011521 [1,1,0,0,0,0|1,0,0]=3 94 B5R0.1 O=C(O)CCCl BBL012215 [1,1,0,0,0,0|0,0,0]=2 95 B5R0.3 C=CC(=O)OC BBL011432 [1,1,0,0,0,0|0,0,2]=4 96 B5R0.3 CCC(=O)CC BBL027755 [1,1,0,0,0,0|1,0,0]=3 97 B5R0.3 CCC(=O)NN BBL036933 [1,1,0,0,0,0|1,0,0]=3 98 B5R0.3 CCC(=O)NO BBL011342 [1,1,0,0,0,0|0,0,0]=2 99 B5R0.3 CCC(N)CO BBL027677 [1,1,0,0,0,0|1,0,1]=4 100 B5R0.3 CNC(=O)NC BBL011513 [1,1,0,0,0,0|2,0,0]=4 101 B5R0.3 COC(=O)CO BBL009725 [1,1,0,0,0,0|0,0,0]=2 102 B5R0.3 COC(=O)CS BBL011360 [1,1,0,0,0,0|0,1,0]=3 103 B5R0.3 COC(=O)NN BBL027646 [1,1,0,0,0,0|2,0,0]=4 104 B5R0.3 NCC(O)CN BBL011378 [1,1,0,0,0,0|1,0,1]=4 105 B5R0.3 OCC(O)CCl BBL011374 [1,1,0,0,0,0|0,0,1]=3 106 B5R0.4 C#CC(C)(C)O BBL011368 [1,1,0,0,0,0|1,0,1]=4 107 B5R0.4 CC(C)(N)CO BBL023024 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.4 CC(C)(O)C#N BBL011349 [1,1,0,0,0,0|1,0,1]=4 109 B5R0.4 NCS(=O)(=O)O BBL027684 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.2 CC(C)CC(=O)NN BBL016229 [0,1,0,0,0,1|2,0,0]=4 111 B7R0.2 CC(C)NC(=O)CN BBL030729 [0,1,0,0,0,1|2,0,0]=4 112 B7R0.2 CC(O)CC(=O)NN BBL008678 [0,1,0,0,0,1|1,0,0]=3 113 B7R0.2 CNC(C)CC(N)=O BBL024637 [0,1,0,0,0,1|2,0,0]=4 114 B7R0.2 COC(=O)CC(C)=O BBL011420 [0,1,0,0,0,1|0,0,2]=4 115 B7R0.2 COC(=O)CC(C)C BBL011395 [0,1,0,0,0,1|1,0,0]=3 116 B7R0.9 CC(=O)CC(C)(C)O BBL027463 [0,1,0,0,0,1|1,0,0]=3 117 B7R0.16 CC(C(=O)O)C(=O)O BBL027393 [0,1,0,0,0,1|1,0,1]=4 118 B7R0.16 CC(C)C(Br)C(=O)O BBL010942 [0,1,0,0,0,1|1,0,0]=3 119 B7R0.16 CC(O)C(N)C(=O)O BBL011585 [0,1,0,0,0,1|0,0,0]=2 120 B7R0.5 C=C(C)C(=O)OCC BBL011403 [0,2,0,0,0,0|1,0,1]=4 121 B7R0.5 CC(=O)N(C)CCO BBL003665 [0,2,0,0,0,0|2,0,0]=4 122 B7R0.5 CCNC(=O)C(=O)O BBL005118 [0,2,0,0,0,0|0,0,2]=4 123 B7R0.5 CCOC(=O)C(C)=O BBL027737 [0,2,0,0,0,0|0,0,2]=4 124 B7R0.5 CCOC(=O)C(F)F BBL027798 [0,2,0,0,0,0|2,0,0]=4 125 B7R0.5 CCOC(=O)[C@H](C)O BBL009712 [0,2,0,0,0,0|0,0,0]=2 126 B7R0.10 COC(=O)C(=O)OC BBL011507 [0,2,0,0,0,0|0,0,2]=4 127 B7R0.10 COC(=O)C(N)CO BBL028002 [0,2,0,0,0,0|1,0,0]=3 128 B7R0.10 COC(C)C(=O)NN BBL023722 [0,2,0,0,0,0|1,0,0]=3 129 B7R0.13 COC(C)(C)C(=O)O BBL013945 [0,2,0,0,0,0|0,0,0]=2 130 B7R0.14 CC(C)(C)\C(N)=N\O BBL005446 [0,2,0,0,0,0|2,0,0]=4 131 B7R0.14 CC(C)(O)C(=O)NN BBL017864 [0,2,0,0,0,0|1,0,0]=3 132 B7R0.14 CNC(=O)C(C)(C)N BBL022522 [0,2,0,0,0,0|2,0,0]=4 133 B7R0.15 CCC(CC)C(=O)O BBL018400 [0,2,0,0,0,0|1,0,0]=3 134 B7R0.15 CCC(NC)C(=O)O BBL022845 [0,2,0,0,0,0|1,0,0]=3 135 B7R0.15 COC(OC)C(C)=O BBL011442 [0,2,0,0,0,0|1,0,0]=3 136 B5R1.2 OC1CNC1 BBL023120 [1,0,0,1,0,0|1,0,1]=4 137 B5R1.3 CCC1CO1 BBL011530 [1,0,0,1,0,0|1,0,1]=4 138 B5R1.3 O=CC1CC1 BBL034662 [1,0,0,1,0,0|1,0,0]=3 139 B7R1.2 CC1=CC(O)=NO1 BBL033480 [0,0,0,1,0,1|1,0,1]=4 140 B7R1.2 CC1CCC(=O)O1 BBL011475 [0,0,0,1,0,1|2,0,0]=4 141 B7R1.2 CC1COC(=O)O1 BBL027518 [0,0,0,1,0,1|1,0,0]=3 142 B7R1.4 NC1CCOC1=O BBL027998 [0,1,0,1,0,0|1,0,0]=3 143 B7R1.4 NC1CCSC1=O BBL028068 [0,1,0,1,0,0|1,1,0]=4 144 B7R1.4 NC1CONC1=O BBL016489 [0,1,0,1,0,0|1,0,0]=3 145 B7R1.4 OC1COCC1O BBL029389 [0,1,0,1,0,0|0,0,2]=4 146 B7R1.18 O=C(O)C1CNC1 BBL101508 [0,1,0,1,0,0|1,0,0]=3 147 B7R1.22 C\C(=N/O)C1CC1 BBL028988 [0,1,0,1,0,0|2,0,0]=4 148 B7R1.22 NNC(=O)C1CC1 BBL008116 [0,1,0,1,0,0|2,0,0]=4 149 B7R1.22 N\C(=N/O)C1CC1 BBL005473 [0,1,0,1,0,0|2,0,0]=4 150 B7R0.6 CC(=O)CCC(=O)O BBL027404 [0,0,0,0,0,2|0,0,2]=4 151 B7R0.6 CC(=O)NCC(=O)O BBL020087 [0,0,0,0,0,2|0,0,2]=4 152 B7R0.6 CC(=O)\C=C\C(C)C BBL027791 [0,0,0,0,0,2|2,0,0]=4 153 B7R0.6 CC(C)COC(=O)Cl BBL011424 [0,0,0,0,0,2|2,0,0]=4 154 B7R0.6 CC(C)OCC(=O)O BBL031299 [0,0,0,0,0,2|1,0,0]=3 155 B7R0.6 O=C(O)C#CC(=O)O BBL011589 [0,0,0,0,0,2|1,0,1]=4 156 B7R0.6 O=C(O)CCC(=O)O BBL002473 [0,0,0,0,0,2|1,0,1]=4