0 B5R0.2 C=CCN=C=O BBS-00026322 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.2 C=CCN=C=S BBS-00024237 [0,0,0,0,0,0|1,1,1]=3 2 B5R0.2 CCCCCBr BBS-00028412 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.2 CCCCON BBS-00029329 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 CCCN=C=O BBS-00020505 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.2 COCCCN BBS-00028319 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.2 COCCNN BBS-00024829 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.2 COCCNN BBS-00032972 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.2 O=C=NCCCl BBS-00020888 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.2 OCCCCCl BBS-00028970 [0,0,0,0,0,0|1,0,3]=4 10 B4R0.2 C(=O)[N-]C=O BBS-00029757 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.2 C=COC=C BBS-00029457 [1,0,0,0,0,0|1,0,1]=3 12 B4R0.2 CCCNN BBS-00032546 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.2 CNCCI BBS-00032731 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 N#CCCCl BBS-00028153 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.2 NCCCN BBS-00004281 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.2 NCCCS BBS-00016508 [1,0,0,0,0,0|1,1,1]=4 17 B4R0.2 OCCCO BBS-00004418 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.1 C\C=N\N(C)C=O BBS-00026503 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.4 C=CCNC(N)=S BBS-00020598 [0,1,0,0,0,0|1,1,0]=3 20 B6R0.4 C=CCSC(N)=[NH2+] BBS-00033196 [0,1,0,0,0,0|2,0,0]=3 21 B6R0.4 COCCC(=N)N BBS-00021181 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.4 NCCCC(=O)O BBS-00028541 [0,1,0,0,0,0|1,0,1]=3 23 B6R0.4 O=C(O)CCCBr BBS-00039490 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.6 C(C)=CCCCC BBS-00038760 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.6 CCCCN=C=O BBS-00004256 [0,1,0,0,0,0|0,0,3]=4 26 B6R0.6 COCCN=C=O BBS-00018034 [0,1,0,0,0,0|1,0,2]=4 27 B6R1.1 C1=COCOC1 BBS-00037150 [0,0,0,1,0,0|1,0,2]=4 28 B6R1.2 BrC1=CC=NN1 BBS-00028922 [0,0,0,1,0,0|3,0,0]=4 29 B6R1.2 BrC1=NNC=C1 BBS-00024127 [0,0,0,1,0,0|3,0,0]=4 30 B6R1.2 NC1=CC=NN1 BBS-00020486 [0,0,0,1,0,0|3,0,0]=4 31 B6R1.2 NC1=NCCC1 BBS-00028871 [0,0,0,1,0,0|2,0,1]=4 32 B6R1.2 NC1=NNC=C1 BBS-00023854 [0,0,0,1,0,0|3,0,0]=4 33 B6R1.2 NC1=NOC=C1 BBS-00039481 [0,0,0,1,0,0|3,0,0]=4 34 B6R1.2 O=C1C=CCO1 BBS-00003279 [0,0,0,1,0,0|1,0,0]=2 35 B6R1.2 O=C1CCNC1 BBS-00029850 [0,0,0,1,0,0|1,0,1]=3 36 B6R1.2 SC1=CSC=C1 BBS-00037260 [0,0,0,1,0,0|1,1,1]=4 37 B3R0.1 C=CC[CH2-] BBS-00027244 [2,0,0,0,0,0|0,0,1]=3 38 B3R0.1 CCNO BBS-00026502 [2,0,0,0,0,0|1,0,1]=4 39 B3R0.1 NCCBr BBS-00028408 [2,0,0,0,0,0|2,0,0]=4 40 B3R0.1 NCCN BBS-00032793 [2,0,0,0,0,0|2,0,0]=4 41 B3R0.1 NCCN BBS-00032909 [2,0,0,0,0,0|2,0,0]=4 42 B3R0.1 NCCS BBS-00020848 [2,0,0,0,0,0|1,1,0]=4 43 B3R0.1 OCCO BBS-00004320 [2,0,0,0,0,0|1,0,1]=4 44 B3R0.1 OCCS BBS-00024265 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.1 CC(=O)\C=C/[O-] BBS-00032493 [1,1,0,0,0,0|1,0,1]=4 46 B5R0.1 CNCC(=O)O BBS-00022461 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.1 CNCC(N)=O BBS-00031965 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.1 N#CCC(N)=O BBS-00016404 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.1 NCCC(=O)O BBS-00028074 [1,1,0,0,0,0|1,0,0]=3 50 B5R0.1 NOCC(=O)O BBS-00039484 [1,1,0,0,0,0|2,0,0]=4 51 B5R0.1 O=C(O)CCS BBS-00038803 [1,1,0,0,0,0|1,0,0]=3 52 B5R0.3 C(=O)C(O)CO BBS-00029374 [1,1,0,0,0,0|1,0,0]=3 53 B7R0.2 NC[C@H](O)CC(=O)O BBS-00024845 [0,2,0,0,0,0|1,0,1]=4 54 B7R0.3 NNC(=O)CCCO BBS-00004637 [0,2,0,0,0,0|1,0,1]=4 55 B7R0.5 CC(=O)C(C)CCO BBS-00023798 [0,2,0,0,0,0|1,0,1]=4 56 B7R0.5 CCCC(N)C(=O)O BBS-00028258 [0,2,0,0,0,0|0,0,2]=4 57 B7R0.5 CSC[C@H](N)C(=O)O BBS-00012287 [0,2,0,0,0,0|1,0,1]=4 58 B7R0.5 NCC[C@H](N)C(=O)O BBS-00029762 [0,2,0,0,0,0|1,0,1]=4 59 B7R0.4 CCCCNC(N)=O BBS-00036312 [0,2,0,0,0,0|0,0,2]=4 60 B7R0.4 CNCCCC(=O)O BBS-00027557 [0,2,0,0,0,0|0,0,2]=4 61 B7R0.4 COCCCC(=O)O BBS-00025182 [0,2,0,0,0,0|0,0,2]=4 62 B7R0.4 NCCCCC(=O)O BBS-00027472 [0,2,0,0,0,0|0,0,2]=4 63 B7R0.6 CC(=O)CCC(C)=O BBS-00004255 [0,2,0,0,0,0|0,0,1]=3 64 B7R0.6 CC(=O)NCC(=O)O BBS-00027759 [0,2,0,0,0,0|1,0,1]=4 65 B7R0.6 CC(C)CCC(=O)O BBS-00024968 [0,2,0,0,0,0|0,0,2]=4 66 B7R0.6 CN(C)CCC(=O)O BBS-00016366 [0,2,0,0,0,0|1,0,1]=4 67 B7R0.6 NC(=O)CNC(N)=S BBS-00028776 [0,2,0,0,0,0|2,0,0]=4 68 B7R0.6 O=C(O)CC[N+](=O)[O-] BBS-00039635 [0,2,0,0,0,0|2,0,0]=4 69 B5R1.1 C1=CNC=N1 BBS-00004265 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.1 C(=O)C1=CC=CS1 BBS-00003201 [0,1,0,1,0,0|0,0,2]=4 71 B7R1.1 O=CC1=CSC=C1 BBS-00020899 [0,1,0,1,0,0|0,0,2]=4 72 B7R1.2 CC1=CC(=O)NN1 BBS-00036439 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.2 N=C1CSC(=O)N1 BBS-00002226 [0,1,0,1,0,0|2,0,0]=4 74 B7R1.2 NC1=CC(=O)CC1 BBS-00025192 [0,1,0,1,0,0|0,0,0]=2 75 B7R1.2 NC1=CC(=O)NN1 BBS-00039261 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.2 NC1=NC(=O)CS1 BBS-00028578 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.2 O=C1CCC(=O)N1 BBS-00004334 [0,1,0,1,0,0|1,0,0]=3 78 B7R1.2 O=C1CSC(=O)N1 BBS-00008833 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.2 O=C1CSC(=O)[N-]1 BBS-00036528 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.2 O=C1CSC(=S)N1 BBS-00000851 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.2 O=C1CSC(S)=N1 BBS-00006723 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.2 O=C1NC(=S)CS1 BBS-00002183 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.2 [NH3+]C1CNC(=O)C1 BBS-00024551 [0,1,0,1,0,0|1,0,1]=4 84 B7R1.3 O=C1C=COCC1 BBS-00032488 [0,1,0,1,0,0|0,0,0]=2 85 B7R1.3 O=C1CCCCN1 BBS-00039482 [0,1,0,1,0,0|0,0,2]=4 86 B7R1.3 O=C1CCSCC1 BBS-00036766 [0,1,0,1,0,0|0,0,2]=4 87 B7R1.3 O=C1CNCCN1 BBS-00007028 [0,1,0,1,0,0|1,0,1]=4 88 B7R1.3 O=C1CSCCN1 BBS-00000247 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.3 O=C1NCCCO1 BBS-00028287 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.4 NC1CCCC1=O BBS-00029499 [0,1,0,1,0,0|0,0,2]=4 91 B7R1.4 NC1CCCC1=O BBS-00033202 [0,1,0,1,0,0|0,0,2]=4 92 B7R1.4 NC1CCSC1=O BBS-00038427 [0,1,0,1,0,0|1,0,1]=4 93 B7R1.4 NN1CCCC1=O BBS-00028647 [0,1,0,1,0,0|1,0,1]=4 94 B7R1.4 N[C@@H]1CONC1=O BBS-00029394 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.4 O=C1NCCC1Br BBS-00032717 [0,1,0,1,0,0|1,0,1]=4 96 B7R1.4 O=C1OCCC1Br BBS-00015213 [0,1,0,1,0,0|1,0,1]=4 97 B7R1.14 O=S1(=O)C=CCC1 BBS-00004819 [0,1,0,1,0,0|1,0,0]=3 98 B7R1.18 NC(=O)C1CCC1 BBS-00025117 [0,1,0,1,0,0|0,0,2]=4 99 B7R1.18 O=C(O)C1CNC1 BBS-00022024 [0,1,0,1,0,0|1,0,1]=4 100 B7R1.20 O=C(Cl)CC1CC1 BBS-00025311 [0,1,0,1,0,0|0,0,2]=4