0 B8R1.4 CC1=CC(=O)N=CN1 BBS-00035032 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.4 CC1=CC(C)=NC=N1 BBS-00016481 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.4 CC1=CC(Cl)=NC=N1 BBS-00002134 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.4 CC1=CC(O)=NC=N1 BBS-00013749 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.4 CC1=CC(S)=NC=N1 BBS-00023657 [0,0,0,0,0,0|2,1,1]=4 5 B8R1.4 CC1=CC=CC(=O)N1 BBS-00002969 [0,0,0,0,0,0|1,0,3]=4 6 B8R1.4 CC1=CC=NC(N)=C1 BBS-00004343 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.4 CC1=NC=CC(N)=C1 BBS-00006740 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.4 CC1CCCC(C)N1 BBS-00000942 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.4 CC1CCCC(O)C1 BBS-00028120 [0,0,0,0,0,0|0,0,4]=4 10 B8R1.4 CN1CCCC(=O)C1 BBS-00032400 [0,0,0,0,0,0|1,0,1]=2 11 B8R1.4 NC1=CC(=O)CCC1 BBS-00015058 [0,0,0,0,0,0|1,0,0]=1 12 B8R1.4 O=C1C=C(Cl)CCC1 BBS-00015055 [0,0,0,0,0,0|1,0,0]=1 13 B8R1.4 O=C1CSCC(=O)O1 BBS-00026958 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.4 O=C1NC(=S)CCS1 BBS-00002385 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.4 S=C1CCSC(=S)N1 BBS-00002406 [0,0,0,0,0,0|3,1,0]=4 16 B7R1.3 CC1CCCCN1 BBS-00003594 [1,0,0,0,0,0|1,0,2]=4 17 B7R1.3 O=C1C=COCC1 BBS-00032488 [1,0,0,0,0,0|1,0,0]=2 18 B7R1.3 O=C1CCCCN1 BBS-00039482 [1,0,0,0,0,0|1,0,1]=3 19 B7R1.3 O=C1CCSCC1 BBS-00036766 [1,0,0,0,0,0|1,0,2]=4 20 B7R1.3 O=C1CNCCN1 BBS-00007028 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.3 O=C1CSCCN1 BBS-00000247 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.3 O=C1NCCCO1 BBS-00028287 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.2 CC1=CC(C=O)=CC=C1 BBS-00003269 [0,1,0,0,0,0|0,0,3]=4 24 B9R1.2 CCN1CCCC(=O)C1 BBS-00032402 [0,1,0,0,0,0|1,0,1]=3 25 B9R1.3 CC1=C(C)C(=O)NC=N1 BBS-00030188 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.3 CC1=C(O)C(=O)C=CO1 BBS-00038446 [0,1,0,0,0,0|1,0,2]=4 27 B9R1.3 O=C1CCCC(=O)C1Br BBS-00000165 [0,1,0,0,0,0|1,0,1]=3 28 B9R1.34 CC1=CC(=O)C=C(C)O1 BBS-00016500 [0,1,0,0,0,0|1,0,2]=4 29 B9R1.34 CC1=CC(=O)CC(=O)O1 BBS-00036309 [0,1,0,0,0,0|1,0,1]=3 30 B9R1.34 CC1=CC(=O)NC(=O)N1 BBS-00028186 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.34 CC1=CC(=O)NC(=S)N1 BBS-00019717 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.34 CC1=CC(=O)NC(C)=C1 BBS-00029610 [0,1,0,0,0,0|1,0,2]=4 33 B9R1.34 CC1=CC(=O)NC(N)=N1 BBS-00015226 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.34 CC1=CC(=O)NC(S)=N1 BBS-00028032 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.34 CC1=CC(=O)NC([S-])=N1 BBS-00029385 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.34 CC1CC(=O)C=C(Cl)C1 BBS-00015318 [0,1,0,0,0,0|1,0,0]=2 37 B9R1.34 CC1CC(=O)C=C(N)C1 BBS-00015326 [0,1,0,0,0,0|1,0,0]=2 38 B9R1.34 CC1CC(=O)CC(=O)C1 BBS-00005780 [0,1,0,0,0,0|1,0,1]=3 39 B9R1.34 CC1CC(=O)NC(=O)N1 BBS-00013739 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.34 CC1CC(=O)NC(S)=N1 BBS-00023625 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.69 CC1CNC(=O)NC1=O BBS-00028850 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.2 CC(C)NC(=O)CCl BBS-00009628 [0,0,1,0,0,0|2,0,1]=4 43 B7R0.2 CC(C)OC(=O)CCl BBS-00003849 [0,0,1,0,0,0|2,0,1]=4 44 B7R0.2 CC(C)OC(=O)C[NH3+] BBS-00038711 [0,0,1,0,0,0|2,0,1]=4 45 B7R0.2 COC(=O)\C=C(\C)N BBS-00028097 [0,0,1,0,0,0|2,0,0]=3 46 B7R0.4 CCCCNC(N)=O BBS-00036312 [0,0,1,0,0,0|2,0,1]=4 47 B7R0.4 CNCCCC(=O)O BBS-00027557 [0,0,1,0,0,0|2,0,0]=3 48 B7R0.4 COCCCC(=O)O BBS-00025182 [0,0,1,0,0,0|2,0,0]=3 49 B7R0.4 NCCCCC(=O)O BBS-00027472 [0,0,1,0,0,0|2,0,1]=4 50 B7R0.7 CCCC(=O)CCC BBS-00038797 [0,0,1,0,0,0|0,0,2]=3 51 B7R0.7 CCNC(=O)CCN BBS-00032030 [0,0,1,0,0,0|2,0,1]=4 52 B7R0.7 CCOC(=O)CCN BBS-00027448 [0,0,1,0,0,0|2,0,1]=4 53 B7R0.7 CCOC(=O)CNC BBS-00025572 [0,0,1,0,0,0|2,0,1]=4 54 B9R2.25 O=C1NC(=O)C2CC12 BBS-00016671 [0,0,0,1,0,0|2,0,0]=3 55 B7R1.2 CC1=CC(=N)NN1 BBS-00039549 [0,0,0,0,1,0|3,0,0]=4 56 B7R1.2 CC1=CC(=O)NN1 BBS-00036439 [0,0,0,0,1,0|2,0,0]=3 57 B7R1.2 CC1=CC(C)=NN1 BBS-00016460 [0,0,0,0,1,0|3,0,0]=4 58 B7R1.2 CC1=CC(C)=NO1 BBS-00006705 [0,0,0,0,1,0|3,0,0]=4 59 B7R1.2 CC1=CC(S)=CS1 BBS-00037208 [0,0,0,0,1,0|1,1,1]=4 60 B7R1.2 CC1=NNC(=O)C1 BBS-00019276 [0,0,0,0,1,0|2,0,1]=4 61 B7R1.2 CC1=NNC(N)=C1 BBS-00004647 [0,0,0,0,1,0|3,0,0]=4 62 B7R1.2 CC1=NNC(O)=C1 BBS-00036799 [0,0,0,0,1,0|2,0,1]=4 63 B7R1.2 CC1=NSC(N)=C1 BBS-00017872 [0,0,0,0,1,0|3,0,0]=4 64 B7R1.2 N=C1CSC(=O)N1 BBS-00002226 [0,0,0,0,1,0|3,0,0]=4 65 B7R1.2 NC1=CC(=O)CC1 BBS-00025192 [0,0,0,0,1,0|1,0,0]=2 66 B7R1.2 NC1=CC(=O)NN1 BBS-00039261 [0,0,0,0,1,0|3,0,0]=4 67 B7R1.2 NC1=NC(=O)CS1 BBS-00028578 [0,0,0,0,1,0|3,0,0]=4 68 B7R1.2 O=C1CCC(=O)N1 BBS-00004334 [0,0,0,0,1,0|2,0,0]=3 69 B7R1.2 O=C1CSC(=O)N1 BBS-00008833 [0,0,0,0,1,0|3,0,0]=4 70 B7R1.2 O=C1CSC(=O)[N-]1 BBS-00036528 [0,0,0,0,1,0|3,0,0]=4 71 B7R1.2 O=C1CSC(=S)N1 BBS-00000851 [0,0,0,0,1,0|3,0,0]=4 72 B7R1.2 O=C1CSC(S)=N1 BBS-00006723 [0,0,0,0,1,0|3,0,0]=4 73 B7R1.2 O=C1NC(=S)CS1 BBS-00002183 [0,0,0,0,1,0|3,0,0]=4 74 B7R1.4 NC1CCCC1=O BBS-00029499 [0,0,0,0,1,0|1,0,1]=3 75 B7R1.4 NC1CCCC1=O BBS-00033202 [0,0,0,0,1,0|1,0,1]=3 76 B7R1.4 NC1CCSC1=O BBS-00038427 [0,0,0,0,1,0|2,0,1]=4 77 B7R1.4 NN1CCCC1=O BBS-00028647 [0,0,0,0,1,0|2,0,0]=3 78 B7R1.4 O=C1NCCC1Br BBS-00032717 [0,0,0,0,1,0|2,0,1]=4 79 B7R1.4 O=C1OCCC1Br BBS-00015213 [0,0,0,0,1,0|2,0,1]=4 80 B6R0.1 CNCC(=O)NC BBS-00025000 [1,0,1,0,0,0|2,0,0]=4 81 B6R0.1 CNCC(=O)OC BBS-00020136 [1,0,1,0,0,0|2,0,0]=4 82 B6R0.1 COC(=O)CCN BBS-00022916 [1,0,1,0,0,0|2,0,0]=4 83 B6R0.2 CC(=O)CC(C)C BBS-00028076 [1,0,1,0,0,0|0,0,2]=4 84 B6R0.4 NCCCC(=O)O BBS-00028541 [1,0,1,0,0,0|2,0,0]=4 85 B6R0.4 O=C(O)CCCBr BBS-00039490 [1,0,1,0,0,0|2,0,0]=4 86 B6R0.4 O=C(O)\C=C\CBr BBS-00021006 [1,0,1,0,0,0|2,0,0]=4 87 B6R0.6 C(C)=CCCCC BBS-00038760 [1,0,1,0,0,0|0,0,1]=3 88 B6R0.6 CC\C=C\CCC BBS-00038759 [1,0,1,0,0,0|0,0,1]=3 89 B6R0.6 CC\C=C\CCO BBS-00032560 [1,0,1,0,0,0|1,0,1]=4 90 B6R1.1 C1=COCOC1 BBS-00037150 [2,0,0,0,0,0|2,0,0]=4 91 B8R0.5 CCOC(=O)C=C(F)F BBS-00029452 [0,1,1,0,0,0|2,0,0]=4 92 B8R0.5 CCOC(=O)CC(C)=O BBS-00004335 [0,1,1,0,0,0|1,0,1]=4 93 B8R0.16 CC\C(C=O)=C\N(C)C BBS-00037149 [0,1,1,0,0,0|1,0,0]=3 94 B8R0.19 CCC(=O)NC(=O)CC BBS-00028341 [0,1,1,0,0,0|2,0,0]=4 95 B8R0.19 CCC(=O)OC(=O)CC BBS-00028438 [0,1,1,0,0,0|2,0,0]=4 96 B8R0.19 CCC(C)NC(=O)CCl BBS-00027671 [0,1,1,0,0,0|1,0,1]=4 97 B8R0.19 CCC(C)NC(=O)NC BBS-00039118 [0,1,1,0,0,0|1,0,1]=4 98 B8R0.6 COCCCC(=O)OC BBS-00025181 [0,1,1,0,0,0|1,0,1]=4 99 B8R0.7 CC(=O)CCCCCN BBS-00027353 [0,1,1,0,0,0|0,0,2]=4 100 B8R0.7 CCCCCCC(=O)O BBS-00039013 [0,1,1,0,0,0|1,0,1]=4 101 B8R0.7 CCCCCNC(N)=O BBS-00036209 [0,1,1,0,0,0|1,0,1]=4 102 B8R0.7 NCCCCCC(=O)O BBS-00032678 [0,1,1,0,0,0|1,0,1]=4 103 B8R0.8 CCCCC(N)C(=O)O BBS-00028478 [0,1,1,0,0,0|1,0,1]=4 104 B8R0.8 CSCC[C@H](N)C(=O)O BBS-00028072 [0,1,1,0,0,0|2,0,0]=4 105 B8R0.28 CN(C)CCCC(=O)O BBS-00027570 [0,1,1,0,0,0|1,0,1]=4 106 B8R0.1 CCNCC(=O)NCC BBS-00035793 [0,1,1,0,0,0|1,0,1]=4 107 B8R1.3 CC1CCC(=O)CC1 BBS-00038787 [1,1,0,0,0,0|0,0,2]=4 108 B8R1.5 NC1CCCCC1=O BBS-00031889 [1,1,0,0,0,0|0,0,2]=4 109 B8R1.5 O=C1CCCC=C1O BBS-00026328 [1,1,0,0,0,0|0,0,0]=2 110 B8R1.5 O=C1NCCNC1=O BBS-00016501 [1,1,0,0,0,0|2,0,0]=4 111 B8R1.1 CSC1=NC(=O)CS1 BBS-00029580 [0,1,0,0,1,0|2,0,0]=4 112 B8R1.1 O=C1CC[C@H](CO)N1 BBS-00032709 [0,1,0,0,1,0|1,0,1]=4 113 B8R1.50 O=C1CCC(=O)N1Br BBS-00004413 [0,1,0,0,1,0|2,0,0]=4 114 B8R1.50 O=C1CCC(=O)N1Cl BBS-00028585 [0,1,0,0,1,0|2,0,0]=4 115 B8R1.51 CC1=CS(=O)(=O)CC1 BBS-00004853 [0,1,0,0,1,0|1,0,0]=3 116 B8R1.51 C[Si]1(C)CCC(=O)C1 BBS-00030055 [0,1,0,0,1,0|0,1,1]=4 117 B8R1.51 O=S1(=O)C=C(Cl)CC1 BBS-00004815 [0,1,0,0,1,0|2,0,0]=4 118 B8R1.11 CCC1CCOC1=O BBS-00035830 [0,1,0,0,1,0|1,0,1]=4 119 B8R1.11 CNC1CCNC1=O BBS-00032814 [0,1,0,0,1,0|1,0,1]=4 120 B8R1.11 N#CC1=C(N)CCC1 BBS-00005824 [0,1,0,0,1,0|1,0,1]=4 121 B10R1.302 C[Si]1(C)CCCC(=O)CC1 BBS-00030076 [0,1,0,0,0,1|0,1,1]=4 122 B10R1.8 CC1=CC(C)CC(C=O)C1 BBS-00037057 [0,2,0,0,0,0|1,0,1]=4 123 B10R1.10 CCNC1=CC(=O)CCC1 BBS-00015395 [0,2,0,0,0,0|0,0,0]=2 124 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 BBS-00015056 [0,2,0,0,0,0|1,0,0]=3 125 B10R1.329 CC1(C)CC(=O)C=C(N)C1 BBS-00015057 [0,2,0,0,0,0|1,0,0]=3 126 B8R1.22 O=C1CCCCCN1 BBS-00024238 [0,0,1,1,0,0|1,0,1]=4 127 B8R1.22 O=C1CCCNCC1 BBS-00032325 [0,0,1,1,0,0|1,0,1]=4 128 B8R2.38 O=C1OCC2CC12 BBS-00027240 [1,0,0,1,0,0|1,0,1]=4 129 B10R2.68 O=C1CCCC2CCC12 BBS-00029411 [0,1,0,1,0,0|0,0,2]=4 130 B6R0.3 CN(C)C(=O)CBr BBS-00024967 [0,0,1,0,1,0|2,0,0]=4 131 B6R0.3 CN(C)C(=O)CCl BBS-00000943 [0,0,1,0,1,0|2,0,0]=4 132 B6R0.3 CN(C)C(=O)CN BBS-00036258 [0,0,1,0,1,0|2,0,0]=4 133 B6R1.2 NC1=NCCC1 BBS-00028871 [1,0,0,0,1,0|2,0,0]=4 134 B6R1.2 O=C1C=CCO1 BBS-00003279 [1,0,0,0,1,0|1,0,0]=3 135 B6R1.2 O=C1CCNC1 BBS-00029850 [1,0,0,0,1,0|1,0,1]=4