0 B3R0.1 BrCCBr SBB040806 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.1 C=CCBr SBB059929 [0,0,0,0,0,0|2,0,1]=3 2 B3R0.1 CCCBr SBB040931 [0,0,0,0,0,0|2,0,0]=2 3 B3R0.1 C\C=C\Cl SBB059896 [0,0,0,0,0,0|2,0,2]=4 4 B3R0.1 ClCCCl SBB040805 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.1 N#CCBr SBB066988 [0,0,0,0,0,0|2,0,1]=3 6 B3R0.1 N#CCN SBB065784 [0,0,0,0,0,0|2,0,1]=3 7 B3R0.1 NCCBr SBB005857 [0,0,0,0,0,0|2,0,0]=2 8 B3R0.1 NCCCl SBB005775 [0,0,0,0,0,0|2,0,0]=2 9 B3R0.1 OCCBr SBB058668 [0,0,0,0,0,0|1,1,0]=2 10 B3R0.1 [NH3+]CCBr SBB060242 [0,0,0,0,0,0|2,0,0]=2 11 B2R0.1 CCBr SBB040912 [1,0,0,0,0,0|1,0,0]=2 12 B2R0.1 N#CBr SBB061206 [1,0,0,0,0,0|2,0,1]=4 13 B2R0.1 ONC SBB005850 [1,0,0,0,0,0|1,1,0]=3 14 B4R0.1 C=C(Br)CBr SBB061691 [0,1,0,0,0,0|2,0,1]=4 15 B4R0.1 CC(Br)CBr SBB060202 [0,1,0,0,0,0|2,0,0]=3 16 B4R0.1 CC(Br)CCl SBB061477 [0,1,0,0,0,0|2,0,0]=3 17 B4R0.1 CC(C)CBr SBB059932 [0,1,0,0,0,0|2,0,0]=3 18 B4R0.1 CC(C)NN SBB002129 [0,1,0,0,0,0|3,0,0]=4 19 B4R0.1 CC(Cl)CCl SBB059979 [0,1,0,0,0,0|2,0,0]=3 20 B4R0.1 CCC(C)Br SBB059931 [0,1,0,0,0,0|2,0,0]=3 21 B4R0.1 CCN(C)N SBB107453 [0,1,0,0,0,0|3,0,0]=4 22 B4R0.1 ClC(Br)CBr SBB059976 [0,1,0,0,0,0|2,0,0]=3 23 B4R0.1 N#CC(Br)Br SBB069562 [0,1,0,0,0,0|2,0,1]=4 24 B4R0.1 N=C(N)CCl SBB056491 [0,1,0,0,0,0|2,0,1]=4 25 B4R0.1 NCC(=O)O SBB071447 [0,1,0,0,0,0|1,1,1]=4 26 B4R0.1 NCC(=O)[O-] SBB116671 [0,1,0,0,0,0|1,1,1]=4 27 B4R0.1 NCC(F)F SBB009831 [0,1,0,0,0,0|2,0,0]=3 28 B4R0.1 O=C(Br)CBr SBB040828 [0,1,0,0,0,0|1,1,1]=4 29 B4R0.1 O=C(Cl)CBr SBB051682 [0,1,0,0,0,0|1,1,1]=4 30 B4R0.1 O=C(Cl)CCl SBB040859 [0,1,0,0,0,0|1,1,1]=4 31 B4R0.1 O=C(O)CBr SBB053569 [0,1,0,0,0,0|1,1,1]=4 32 B4R0.1 OCC(F)F SBB021966 [0,1,0,0,0,0|1,1,0]=3 33 B4R0.2 BrCCCBr SBB060203 [0,1,0,0,0,0|2,0,0]=3 34 B4R0.2 CCCCBr SBB059930 [0,1,0,0,0,0|2,0,0]=3 35 B4R0.2 CNCC#N SBB071612 [0,1,0,0,0,0|2,0,1]=4 36 B4R0.2 CNCCI SBB071605 [0,1,0,0,0,0|2,0,0]=3 37 B4R0.2 COCCBr SBB007906 [0,1,0,0,0,0|1,1,0]=3 38 B4R0.2 C\C=C\CC SBB059879 [0,1,0,0,0,0|2,0,1]=4 39 B4R0.2 ClCCCBr SBB058669 [0,1,0,0,0,0|2,0,0]=3 40 B4R0.2 ClCCCCl SBB040918 [0,1,0,0,0,0|2,0,0]=3 41 B4R0.2 Cl\C=C/CCl SBB061393 [0,1,0,0,0,0|2,0,1]=4 42 B4R0.2 OCCCBr SBB054750 [0,1,0,0,0,0|1,1,0]=3 43 B4R0.2 [NH2+](CC)CC SBB059849 [0,1,0,0,0,0|2,0,0]=3 44 B3R0.2 CC(C)Br SBB060452 [1,1,0,0,0,0|1,0,0]=3 45 B3R0.2 FC(F)I SBB089343 [1,1,0,0,0,0|2,0,0]=4 46 B5R0.1 CC(C)CCBr SBB061181 [0,2,0,0,0,0|2,0,0]=4 47 B5R0.1 CC(C)CCO SBB060162 [0,2,0,0,0,0|1,1,0]=4 48 B5R0.1 CC(C)CNN SBB042741 [0,2,0,0,0,0|2,0,0]=4 49 B5R0.1 CCCC(=O)Cl SBB040624 [0,2,0,0,0,0|1,1,0]=4 50 B5R0.1 CN(C)CCBr SBB073020 [0,2,0,0,0,0|2,0,0]=4 51 B5R0.1 CN(C)CCN SBB007533 [0,2,0,0,0,0|2,0,0]=4 52 B5R0.1 CS(=O)CCN SBB050811 [0,2,0,0,0,0|1,0,1]=4 53 B5R0.1 CSCC(=O)O SBB053570 [0,2,0,0,0,0|0,1,1]=4 54 B5R0.1 O=C(O)CCBr SBB065770 [0,2,0,0,0,0|1,1,0]=4 55 B5R0.1 O=C(O)CCCl SBB069140 [0,2,0,0,0,0|1,1,0]=4 56 B5R0.1 [NH+](C)(C)CCCl SBB057087 [0,2,0,0,0,0|2,0,0]=4 57 B5R0.3 C=C(CCl)CCl SBB061694 [0,2,0,0,0,0|2,0,0]=4 58 B5R0.3 C=CC(Cl)CCl SBB060215 [0,2,0,0,0,0|2,0,0]=4 59 B5R0.3 C=CC(O)CBr SBB007652 [0,2,0,0,0,0|1,1,0]=4 60 B5R0.3 CCC(C)CBr SBB007669 [0,2,0,0,0,0|2,0,0]=4 61 B5R0.3 CCC(Cl)CCl SBB060453 [0,2,0,0,0,0|2,0,0]=4 62 B5R0.3 CCC(N)CC SBB000050 [0,2,0,0,0,0|2,0,0]=4 63 B5R0.3 CCC(N)CC SBB071911 [0,2,0,0,0,0|2,0,0]=4 64 B5R0.3 ClCC(Cl)CCl SBB060982 [0,2,0,0,0,0|2,0,0]=4 65 B5R0.3 N#CC(Cl)CCl SBB067119 [0,2,0,0,0,0|2,0,0]=4 66 B5R0.3 OC(CCl)CCl SBB060190 [0,2,0,0,0,0|1,1,0]=4 67 B5R0.3 OCC(O)CCl SBB060480 [0,2,0,0,0,0|0,2,0]=4 68 B5R0.4 ClCC(Cl)(Cl)Cl SBB061237 [0,2,0,0,0,0|2,0,0]=4 69 B5R0.4 FC(Cl)(Br)CBr SBB099284 [0,2,0,0,0,0|2,0,0]=4 70 B5R0.5 BrC(Br)C(Br)Br SBB060206 [0,2,0,0,0,0|2,0,0]=4 71 B5R0.5 CC(Br)C(Cl)Br SBB059977 [0,2,0,0,0,0|2,0,0]=4 72 B5R0.5 CC(Br)C(Cl)Cl SBB060490 [0,2,0,0,0,0|2,0,0]=4 73 B5R0.2 BrCCCCBr SBB060204 [0,2,0,0,0,0|2,0,0]=4 74 B5R0.2 BrC\C=C\CBr SBB059946 [0,2,0,0,0,0|2,0,0]=4 75 B5R0.2 C=COCCCl SBB061485 [0,2,0,0,0,0|1,1,0]=4 76 B5R0.2 C=COCCN SBB072719 [0,2,0,0,0,0|1,1,0]=4 77 B5R0.2 CC#CCCO SBB009118 [0,2,0,0,0,0|1,1,0]=4 78 B5R0.2 CCC#CCO SBB009120 [0,2,0,0,0,0|1,1,0]=4 79 B5R0.2 CCCCCBr SBB059933 [0,2,0,0,0,0|2,0,0]=4 80 B5R0.2 CCCCCCl SBB059951 [0,2,0,0,0,0|2,0,0]=4 81 B5R0.2 CCCN=C=S SBB060984 [0,2,0,0,0,0|1,0,1]=4 82 B5R0.2 CCNNCC SBB069584 [0,2,0,0,0,0|2,0,0]=4 83 B5R0.2 CCOCCBr SBB008332 [0,2,0,0,0,0|1,1,0]=4 84 B5R0.2 CCOCCCl SBB061015 [0,2,0,0,0,0|1,1,0]=4 85 B5R0.2 CCOCCN SBB072161 [0,2,0,0,0,0|1,1,0]=4 86 B5R0.2 CCSCCN SBB017894 [0,2,0,0,0,0|1,0,0]=3 87 B5R0.2 CNCCCN SBB059823 [0,2,0,0,0,0|2,0,0]=4 88 B5R0.2 CSCCCO SBB056451 [0,2,0,0,0,0|0,1,0]=3 89 B5R0.2 ClC\C=C\CCl SBB060216 [0,2,0,0,0,0|2,0,0]=4 90 B5R0.2 FCCCCBr SBB087044 [0,2,0,0,0,0|2,0,0]=4 91 B5R0.2 N#CCCCBr SBB054746 [0,2,0,0,0,0|2,0,0]=4 92 B5R0.2 N#CCCCCl SBB061739 [0,2,0,0,0,0|2,0,0]=4 93 B5R0.2 NCCCCN SBB059998 [0,2,0,0,0,0|2,0,0]=4 94 B5R0.2 O=C=NCCCl SBB054898 [0,2,0,0,0,0|1,1,0]=4 95 B5R0.2 OCCCCCl SBB002444 [0,2,0,0,0,0|1,1,0]=4 96 B5R1.2 OC1CNC1 SBB056270 [0,1,0,1,0,0|1,1,0]=4 97 B5R1.3 BrCC1CC1 SBB054967 [0,1,0,1,0,0|2,0,0]=4 98 B5R1.3 NCC1CC1 SBB047771 [0,1,0,1,0,0|2,0,0]=4 99 B5R1.3 OCC1CC1 SBB059473 [0,1,0,1,0,0|1,1,0]=4 100 B5R1.1 C1CSCN1 SBB111928 [0,1,0,1,0,0|1,0,0]=3