0 B11R1.16 CC(CCN)C1=CC=CC=C1 SBB085501 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.16 CCCC(=O)C1=CC=CC=C1 SBB058761 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 SBB070021 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.16 CCNC(=O)C1=CC=CC=C1 SBB058216 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.16 CCOC(=O)C1=CC=CC=C1 SBB058595 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.16 CCOC(=O)C1=CC=CN=C1 SBB065600 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.16 CCOC(=O)C1=CC=NC=C1 SBB065225 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.16 CCOC(=O)C1=NC=CC=C1 SBB065219 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.16 CN(CCN)C1=CC=CC=C1 SBB085429 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.16 CN(CCO)C1=CC=CC=C1 SBB007818 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.16 CNCC(C)C1=CC=CC=C1 SBB028094 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.16 N#CCC(=O)C1=CC=CC=C1 SBB004121 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.16 N#CCC(=O)C1=CC=NC=C1 SBB055710 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.16 N#C\N=C(/N)C1=CC=CC=C1 SBB055112 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.16 O=C(CCCl)C1=CC=CC=C1 SBB063710 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.16 O=C(CCF)C1=CC=CC=C1 SBB063711 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 SBB068862 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.16 O=C(SCO)C1=CC=CC=C1 SBB088192 [0,0,0,0,0,0|1,1,0]=2 18 B11R1.16 O=C(\C=N\O)C1=CC=CC=C1 SBB063283 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.16 O=C=NC(=O)C1=CC=CC=C1 SBB067603 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.15 BrCC(Br)C1=CC=CC=C1 SBB058656 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.15 C#CC(=O)C1=CC=CC=C1 SBB012771 [1,0,0,0,0,0|0,0,2]=3 22 B10R1.15 CC(CN)C1=CC=CC=C1 SBB028247 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.15 CC(CO)C1=CC=CC=C1 SBB007853 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.15 CCC(=O)C1=CC=CC=C1 SBB058853 [1,0,0,0,0,0|0,0,0]=1 25 B10R1.15 CCC(=O)C1=CC=NC=C1 SBB068976 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.15 CCC(Br)C1=CC=CC=C1 SBB060201 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.15 CCC(C)C1=CC=CC=C1 SBB060615 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.15 CCC(N)C1=CC=CC=C1 SBB029878 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.15 CCC(N)C1=CC=CC=C1 SBB080382 [1,0,0,0,0,0|1,0,1]=3 30 B10R1.15 CCC(O)C1=CC=CC=C1 SBB058750 [1,0,0,0,0,0|0,0,2]=3 31 B10R1.15 CNC(=O)C1=CC=CC=C1 SBB051421 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.15 COC(=N)C1=CC=CC=C1 SBB055305 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.15 COC(=O)C1=CC=CC=C1 SBB058212 [1,0,0,0,0,0|0,0,0]=1 34 B10R1.15 COC(=O)C1=CC=CC=N1 SBB008127 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.15 COC(=O)C1=CC=NC=C1 SBB058848 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.15 COC(=O)C1=CN=CC=C1 SBB040924 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.15 COC(=O)C1=NC=CC=N1 SBB053945 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.15 COC(=O)C1=NC=CN=C1 SBB053939 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.15 COC(=O)C1=NC=NC=C1 SBB053949 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.15 C[C@H](CN)C1=CC=CC=C1 SBB052360 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.15 C\C(=N/N)C1=CC=CC=C1 SBB069878 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.15 C\C(=N\O)C1=CC=CC=C1 SBB085898 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.15 ClCC(Cl)C1=CC=CC=C1 SBB007931 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.15 N#CC(=O)C1=CC=CC=C1 SBB058756 [1,0,0,0,0,0|1,0,1]=3 45 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB063139 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB066026 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.15 NCC(O)C1=CC=CC=C1 SBB063224 [1,0,0,0,0,0|1,0,2]=4 48 B10R1.15 NNC(=O)C1=CC=CC=C1 SBB040976 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.15 NNC(=O)C1=CC=CC=N1 SBB027572 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.15 NNC(=O)C1=CC=CN=C1 SBB028255 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.15 NNC(=O)C1=CC=NC=C1 SBB004195 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SBB006667 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.15 N\C(=N/O)C1=CC=CC=C1 SBB015043 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.15 N\C(=N/O)C1=CC=CC=C1 SBB055109 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.15 O=C(CBr)C1=CC=NC=C1 SBB051672 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.15 O=C(CBr)C1=CN=CC=C1 SBB005582 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.15 O=C(CBr)C1=NC=CC=C1 SBB005581 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.15 O=C(CO)C1=CC=CC=C1 SBB085926 [1,0,0,0,0,0|1,0,0]=2 59 B10R1.15 O=C(NO)C1=CC=CC=C1 SBB058405 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.15 O=CC(=O)C1=CC=CC=C1 SBB068905 [1,0,0,0,0,0|1,0,1]=3 61 B10R1.15 OCC(O)C1=CC=CC=C1 SBB063119 [1,0,0,0,0,0|1,0,2]=4 62 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SBB064282 [1,0,0,0,0,0|1,0,2]=4 63 B10R1.15 [NH3+]CC(=O)C1=CC=CC=C1 SBB061439 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.17 BrCCOC1=CC=CC=C1 SBB042586 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.17 BrCCSC1=CC=CC=C1 SBB059699 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [1,0,0,0,0,0|1,0,1]=3 69 B10R1.17 CCNCC1=CC=NC=C1 SBB058813 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [1,0,0,0,0,0|0,0,1]=2 71 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [1,0,0,0,0,0|0,1,1]=3 72 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.17 ClCOCC1=CC=CC=C1 SBB064207 [1,0,0,0,0,0|1,0,1]=3 74 B10R1.17 ClCSCC1=CC=CC=C1 SBB055458 [1,0,0,0,0,0|1,1,1]=4 75 B10R1.17 ClC\C=C\C1=CC=CC=C1 SBB040602 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.17 N#C\C=C\C1=CC=CC=C1 SBB060940 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.17 NCCNC1=CC=CC=C1 SBB004200 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.17 NCCOC1=CC=CC=C1 SBB085982 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.17 NCCSC1=CC=CC=C1 SBB047720 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.17 O=COCC1=CC=CC=C1 SBB061238 [1,0,0,0,0,0|1,0,2]=4 82 B10R1.17 O=C\C=C\C1=CC=CC=C1 SBB028652 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.17 OCC#CC1=CC=CC=C1 SBB015103 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.17 OCCOC1=CC=CC=C1 SBB060485 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.17 OC\C=C\C1=CC=CC=C1 SBB058645 [1,0,0,0,0,0|2,0,0]=3 87 B12R1.3 CCCC(C#N)C1=CC=CC=C1 SBB007788 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.3 CCCC(CC)C1=CC=CC=C1 SBB061240 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.3 CCCC(CN)C1=CC=CC=C1 SBB073169 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.16 CC1=CC=C(C(=O)CC#N)C=C1 SBB005351 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 SBB063951 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.16 CCCC(=O)C1=CC=C(Br)C=C1 SBB065069 [0,1,0,0,0,0|1,0,0]=2 93 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 SBB017369 [0,1,0,0,0,0|1,0,0]=2 94 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 SBB088007 [0,1,0,0,0,0|1,0,0]=2 95 B12R1.16 CCCC(=O)C1=CC=C(N)C=C1 SBB017672 [0,1,0,0,0,0|1,0,0]=2 96 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 SBB001584 [0,1,0,0,0,0|1,0,0]=2 97 B12R1.16 CCNC(=O)C1=CC=C(N)C=C1 SBB017849 [0,1,0,0,0,0|1,0,0]=2 98 B12R1.16 CCOC(=N)C1=CC=C(O)C=C1 SBB057804 [0,1,0,0,0,0|1,0,0]=2 99 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 SBB065108 [0,1,0,0,0,0|0,0,0]=1 100 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 SBB064875 [0,1,0,0,0,0|0,0,0]=1 101 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 SBB040855 [0,1,0,0,0,0|0,0,0]=1 102 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=C1 SBB053795 [0,1,0,0,0,0|1,0,0]=2 103 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 SBB063137 [0,1,0,0,0,0|0,0,0]=1 104 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 SBB058455 [0,1,0,0,0,0|0,0,0]=1 105 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 SBB028356 [0,1,0,0,0,0|0,0,0]=1 106 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 SBB038536 [0,1,0,0,0,0|0,0,0]=1 107 B12R1.16 CCOC(=O)C1=NNC(=O)C=C1 SBB053958 [0,1,0,0,0,0|2,0,0]=3 108 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 SBB013970 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 SBB059061 [0,1,0,0,0,0|2,0,1]=4 110 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 SBB049524 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 SBB022265 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 SBB019130 [0,1,0,0,0,0|2,0,1]=4 113 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 SBB063212 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 SBB042481 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.17 CC1=CC=CC(C(=O)CC#N)=C1 SBB087366 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.17 CCNC(=O)C1=CC(N)=CC=C1 SBB080262 [0,1,0,0,0,0|1,0,0]=2 117 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 SBB005820 [0,1,0,0,0,0|1,0,0]=2 118 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 SBB019078 [0,1,0,0,0,0|1,0,0]=2 119 B12R1.17 CCOC(=O)C1=CC(F)=CN=C1 SBB053804 [0,1,0,0,0,0|1,0,0]=2 120 B12R1.17 CCOC(=O)C1=CC(N)=CN=C1 SBB088001 [0,1,0,0,0,0|1,0,0]=2 121 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 SBB053850 [0,1,0,0,0,0|1,0,0]=2 122 B12R1.17 CCOC(=O)C1=CC=CC(C)=C1 SBB064988 [0,1,0,0,0,0|0,0,0]=1 123 B12R1.17 CCOC(=O)C1=CC=CC(Cl)=C1 SBB064614 [0,1,0,0,0,0|0,0,0]=1 124 B12R1.17 CCOC(=O)C1=CC=CC(F)=C1 SBB064679 [0,1,0,0,0,0|0,0,0]=1 125 B12R1.17 CCOC(=O)C1=CC=CC(N)=C1 SBB064162 [0,1,0,0,0,0|0,0,0]=1 126 B12R1.17 CCOC(=O)C1=CC=CC(O)=C1 SBB038646 [0,1,0,0,0,0|0,0,0]=1 127 B12R1.17 CCOC(=O)C1=CN=CC(O)=C1 SBB088061 [0,1,0,0,0,0|1,0,0]=2 128 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 SBB065220 [0,1,0,0,0,0|1,0,0]=2 129 B12R1.17 CCOC(=O)C1=NC(O)=CC=C1 SBB014301 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.17 N#CCC(=O)C1=CC(Cl)=CC=C1 SBB089582 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.17 N#CCC(=O)C1=CC=CC(Br)=C1 SBB019256 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SBB064862 [0,1,0,0,0,0|1,0,0]=2 133 B12R1.30 CCCCC(O)C1=CC=CC=C1 SBB063387 [0,1,0,0,0,0|1,0,2]=4 134 B12R1.30 CCCNC(=O)C1=CC=CC=C1 SBB058554 [0,1,0,0,0,0|1,0,0]=2 135 B12R1.30 CCCNC(C)C1=CC=CC=C1 SBB005747 [0,1,0,0,0,0|2,0,1]=4 136 B12R1.30 CCCOC(=O)C1=CC=CC=C1 SBB061241 [0,1,0,0,0,0|0,0,0]=1 137 B12R1.30 CCCOC(=O)C1=CN=CC=C1 SBB061278 [0,1,0,0,0,0|1,0,0]=2 138 B12R1.30 CN(CCCN)C1=CC=CC=C1 SBB051731 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.30 CNCCC(O)C1=CC=CC=C1 SBB063260 [0,1,0,0,0,0|1,0,2]=4 140 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 SBB087363 [0,1,0,0,0,0|1,0,1]=3 141 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 SBB038180 [0,1,0,0,0,0|1,0,1]=3 142 B12R1.30 N#CSCC(=O)C1=CC=CC=C1 SBB079019 [0,1,0,0,0,0|1,1,1]=4 143 B12R1.30 NCCNC(=O)C1=CC=NC=C1 SBB044912 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.30 O=C(NCCCl)C1=CC=CC=C1 SBB008196 [0,1,0,0,0,0|1,0,0]=2 145 B12R1.30 O=C(NCCO)C1=CC=NC=C1 SBB055661 [0,1,0,0,0,0|2,0,0]=3 146 B12R1.30 O=C(\C=C\O[Na])C1=CC=CC=C1 SBB017286 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.30 OCCN[C@H](C)C1=CC=CC=C1 SBB010055 [0,1,0,0,0,0|2,0,1]=4 148 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 SBB087708 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.34 O\N=C(/C)C(=O)C1=CC=CC=C1 SBB003926 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.39 CSCS(=O)(=O)C1=CC=CC=C1 SBB057692 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 SBB043962 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 SBB001719 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [0,1,0,0,0,0|1,0,1]=3 154 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 SBB035905 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 SBB058207 [0,1,0,0,0,0|1,0,0]=2 156 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 SBB063237 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.107 N(C(C)C)[C@H](C)C1=CC=CC=C1 SBB059587 [0,1,0,0,0,0|2,0,1]=4 158 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 SBB035909 [0,1,0,0,0,0|2,0,1]=4 159 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 SBB057900 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.107 NC(=S)NC(=O)C1=CC=CC=C1 SBB058924 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 SBB032958 [0,1,0,0,0,0|3,0,0]=4 162 B12R1.308 CCNC(=O)C1=CC=CC=C1N SBB079897 [0,1,0,0,0,0|1,0,0]=2 163 B12R1.308 CCNC(=O)C1=CC=CN=C1Cl SBB047046 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 SBB064139 [0,1,0,0,0,0|0,0,0]=1 165 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 SBB065272 [0,1,0,0,0,0|1,0,0]=2 166 B12R1.308 CCOC(=O)C1=CC=CC=C1Br SBB065109 [0,1,0,0,0,0|0,0,0]=1 167 B12R1.308 CCOC(=O)C1=CC=CC=C1C SBB064989 [0,1,0,0,0,0|0,0,0]=1 168 B12R1.308 CCOC(=O)C1=CC=CC=C1F SBB064678 [0,1,0,0,0,0|0,0,0]=1 169 B12R1.308 CCOC(=O)C1=CC=CC=C1N SBB064986 [0,1,0,0,0,0|0,0,0]=1 170 B12R1.308 CCOC(=O)C1=CC=CC=C1O SBB058594 [0,1,0,0,0,0|0,0,0]=1 171 B12R1.308 CCOC(=O)C1=CC=CN=C1C SBB053824 [0,1,0,0,0,0|1,0,0]=2 172 B12R1.308 CCOC(=O)C1=CC=NC=C1N SBB053810 [0,1,0,0,0,0|1,0,0]=2 173 B12R1.308 CCOC(=O)C1=CN=CC=C1Cl SBB053818 [0,1,0,0,0,0|1,0,0]=2 174 B12R1.308 N#CCC(=O)C1=CC=CC=C1Br SBB019279 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.308 N#CCC(=O)C1=CC=CC=C1Cl SBB019129 [0,1,0,0,0,0|2,0,1]=4 176 B12R2.2 C1=CC(C2=NCCN2)=CC=N1 SBB019398 [0,0,0,1,0,0|3,0,0]=4 177 B12R2.2 C1=CC(C2=NCCN2)=CN=C1 SBB019191 [0,0,0,1,0,0|3,0,0]=4 178 B12R2.2 C1=CC=C(C2=NCCN2)C=C1 SBB056523 [0,0,0,1,0,0|2,0,0]=3 179 B12R2.2 C1=CC=C(C2CCCC2)C=C1 SBB060080 [0,0,0,1,0,0|2,0,1]=4 180 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SBB056158 [0,0,0,1,0,0|2,0,1]=4 181 B12R2.2 C1=CC=C(C2NCCS2)C=C1 SBB087945 [0,0,0,1,0,0|1,1,1]=4 182 B12R2.2 C1=CC=C(C2OCCO2)C=C1 SBB058599 [0,0,0,1,0,0|0,0,2]=3 183 B12R2.2 C1=CC=C(C2OCCS2)C=C1 SBB056712 [0,0,0,1,0,0|0,1,1]=3 184 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB000241 [0,0,0,1,0,0|2,0,1]=4 185 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB028283 [0,0,0,1,0,0|2,0,1]=4 186 B12R2.1081 O=C1C=COC2=C1C=CC=C2 SBB086467 [0,0,0,1,0,0|2,0,1]=4 187 B12R2.1081 O=C1CCCC2=C1C=CC=C2 SBB066987 [0,0,0,1,0,0|1,0,0]=2 188 B12R2.1081 O=C1CCOC2=CC=CC=C12 SBB056286 [0,0,0,1,0,0|2,0,0]=3 189 B12R2.1081 O=C1NC=NC2=CC=CC=C12 SBB039928 [0,0,0,1,0,0|2,0,1]=4 190 B12R2.1081 O=C1NN=CC2=CC=CC=C12 SBB080598 [0,0,0,1,0,0|2,0,1]=4 191 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 SBB078073 [0,0,0,1,0,0|3,0,0]=4 192 B12R2.1081 OC1=COCC2=CC=CC=C12 SBB067393 [0,0,0,1,0,0|2,0,1]=4 193 B12R2.1081 OC1CCCC2=CC=CC=C21 SBB056331 [0,0,0,1,0,0|1,0,2]=4 194 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 SBB067569 [0,0,0,1,0,0|1,0,0]=2 195 B12R2.2028 CN1N=C(N)C2=C1C=CC=C2 SBB052076 [0,0,0,1,0,0|3,0,0]=4 196 B12R2.2028 O=C1CC(=O)C2=CC=CC=C12 SBB058387 [0,0,0,1,0,0|2,0,1]=4 197 B12R2.2028 O=C1NC(=O)C2=C1C=CC=C2 SBB059859 [0,0,0,1,0,0|2,0,1]=4 198 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 SBB040869 [0,0,0,1,0,0|1,0,1]=3 199 B12R2.2028 O=C1OC(=O)C2=CN=CC=C12 SBB055729 [0,0,0,1,0,0|2,0,1]=4 200 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 SBB065269 [0,0,0,1,0,0|2,0,1]=4 201 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 SBB063763 [0,0,0,1,0,0|1,0,0]=2 202 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 SBB065028 [0,0,0,1,0,0|1,0,0]=2 203 B10R1.11 CCNC(=O)C1=CNN=C1 SBB116142 [0,0,0,0,1,0|3,0,0]=4 204 B10R1.11 CCOC(=O)C1=CC=CN1 SBB053894 [0,0,0,0,1,0|1,0,0]=2 205 B10R1.11 CCOC(=O)C1=CC=CO1 SBB067087 [0,0,0,0,1,0|1,0,0]=2 206 B10R1.11 CCOC(=O)C1=CC=CS1 SBB058448 [0,0,0,0,1,0|1,0,0]=2 207 B10R1.11 CCOC(=O)C1=CC=NN1 SBB017331 [0,0,0,0,1,0|2,0,0]=3 208 B10R1.11 CCOC(=O)C1=CNN=C1 SBB062799 [0,0,0,0,1,0|2,0,0]=3 209 B10R1.11 CCOC(=O)C1=COC=N1 SBB053931 [0,0,0,0,1,0|2,0,0]=3 210 B10R1.11 CCOC(=O)C1=CSC=C1 SBB066578 [0,0,0,0,1,0|1,0,0]=2 211 B10R1.11 CCOC(=O)C1=CSC=N1 SBB018687 [0,0,0,0,1,0|2,0,0]=3 212 B10R1.11 CCOC(=O)C1=CSN=N1 SBB087297 [0,0,0,0,1,0|3,0,0]=4 213 B10R1.11 CCOC(=O)C1=NOC=N1 SBB050948 [0,0,0,0,1,0|3,0,0]=4 214 B12R1.32 CCNC(=O)NC1=CC=CC=C1 SBB008390 [0,0,0,0,0,1|1,0,0]=2 215 B12R1.32 CCOC(=O)CC1=CC=CC=N1 SBB058275 [0,0,0,0,0,1|1,0,0]=2 216 B12R1.32 CCOC(=O)CC1=CC=NC=C1 SBB053836 [0,0,0,0,0,1|1,0,0]=2 217 B12R1.32 CCOC(=O)CC1=CN=CC=C1 SBB058276 [0,0,0,0,0,1|1,0,0]=2 218 B12R1.32 CCOC(=O)NC1=NC=CC=C1 SBB017258 [0,0,0,0,0,1|1,0,0]=2 219 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 SBB072741 [0,0,0,0,0,1|2,0,1]=4 220 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 SBB053602 [0,0,0,0,0,1|2,0,0]=3 221 B9R1.6 C=C(C)C1=CC=CC=C1 SBB060154 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.6 CC(=O)C1=CC=CC=C1 SBB040241 [2,0,0,0,0,0|0,0,0]=2 223 B9R1.6 CC(=O)C1=CC=NC=C1 SBB040256 [2,0,0,0,0,0|1,0,0]=3 224 B9R1.6 CC(=O)C1=CN=CC=C1 SBB040255 [2,0,0,0,0,0|1,0,0]=3 225 B9R1.6 CC(=O)C1=CN=CC=N1 SBB006738 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.6 CC(=O)C1=NC=CC=C1 SBB058824 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.6 CC(=O)C1=NC=CC=N1 SBB055904 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.6 CC(Br)C1=CC=CC=C1 SBB040667 [2,0,0,0,0,0|1,0,1]=4 229 B9R1.6 CC(C)C1=CC=CC=C1 SBB040817 [2,0,0,0,0,0|1,0,1]=4 230 B9R1.6 CC(Cl)C1=CC=CC=C1 SBB007671 [2,0,0,0,0,0|1,0,1]=4 231 B9R1.6 CC(N)C1=CC=CC=C1 SBB040514 [2,0,0,0,0,0|1,0,1]=4 232 B9R1.6 CC(O)C1=CC=CC=C1 SBB058702 [2,0,0,0,0,0|0,0,2]=4 233 B9R1.6 CN(C)C1=CC=CC=C1 SBB040814 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.6 CN(N)C1=CC=CC=C1 SBB060814 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.6 C[C@H](N)C1=CC=CC=C1 SBB051709 [2,0,0,0,0,0|1,0,1]=4 236 B9R1.6 N=C(N)C1=CC=CC=C1 SBB055093 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.6 NC(=O)C1=CC=CC=C1 SBB058198 [2,0,0,0,0,0|1,0,0]=3 238 B9R1.6 NC(=O)C1=CC=CC=N1 SBB008128 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.6 NC(=O)C1=CC=CN=C1 SBB004283 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.6 NC(=O)C1=CC=CN=C1 SBB055585 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.6 NC(=S)C1=CC=CC=C1 SBB041177 [2,0,0,0,0,0|1,1,0]=4 242 B9R1.6 O=C(Cl)C1=CC=CC=C1 SBB059783 [2,0,0,0,0,0|1,0,0]=3 243 B9R1.6 O=C(Cl)C1=CC=CN=C1 SBB005806 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.6 O=C(Cl)C1=CC=NC=C1 SBB000083 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.6 O=C(Cl)C1=NC=CC=C1 SBB053631 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.6 O=C(F)C1=CC=CC=C1 SBB085547 [2,0,0,0,0,0|1,0,0]=3 247 B9R1.6 O=C(O)C1=CC=CC=C1 SBB040515 [2,0,0,0,0,0|0,0,0]=2 248 B9R1.6 O=C(O)C1=CC=CN=C1 SBB004279 [2,0,0,0,0,0|1,0,0]=3 249 B9R1.6 O=C(O)C1=CC=CN=N1 SBB053230 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.6 O=C(O)C1=CC=NC=C1 SBB004278 [2,0,0,0,0,0|1,0,0]=3 251 B9R1.6 O=C(O)C1=CC=NC=N1 SBB018520 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.6 O=C(O)C1=CC=NN=C1 SBB053242 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.6 O=C(O)C1=CN=CN=C1 SBB053218 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.6 O=C(O)C1=NC=CC=C1 SBB004277 [2,0,0,0,0,0|1,0,0]=3 255 B9R1.6 O=C(O)C1=NC=CC=N1 SBB005602 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.6 O=C(O)C1=NC=CN=C1 SBB000051 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 SBB040911 [2,0,0,0,0,0|1,0,1]=4 258 B9R1.8 BrCCC1=CC=CC=C1 SBB059945 [2,0,0,0,0,0|1,0,1]=4 259 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [2,0,0,0,0,0|0,0,1]=3 260 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [2,0,0,0,0,0|1,0,0]=3 261 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [2,0,0,0,0,0|1,0,1]=4 262 B9R1.8 COCC1=CC=CC=C1 SBB063549 [2,0,0,0,0,0|0,0,1]=3 263 B9R1.8 NCCC1=CC=CC=C1 SBB058801 [2,0,0,0,0,0|1,0,1]=4 264 B9R1.8 NOCC1=CC=CC=C1 SBB003971 [2,0,0,0,0,0|1,0,1]=4 265 B9R1.8 NOCC1=CC=CC=C1 SBB032957 [2,0,0,0,0,0|1,0,1]=4 266 B9R1.8 OCCC1=CC=CC=C1 SBB040879 [2,0,0,0,0,0|1,0,1]=4 267 B11R1.7 CCC(C)(C)C1=CC=CC=C1 SBB060977 [1,1,0,0,0,0|1,0,1]=4 268 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 SBB058121 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 SBB040933 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.12 CCC(C#N)C1=CC=CC=C1 SBB068828 [1,1,0,0,0,0|1,0,1]=4 271 B11R1.12 CCC(CC)C1=CC=CC=C1 SBB060456 [1,1,0,0,0,0|1,0,1]=4 272 B11R1.12 CCC(CN)C1=CC=CC=C1 SBB073168 [1,1,0,0,0,0|1,0,1]=4 273 B11R1.12 CCN(CC)C1=CC=CC=C1 SBB060520 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.12 CC\C(=N/O)C1=CC=CC=C1 SBB080355 [1,1,0,0,0,0|0,0,1]=3 275 B11R1.12 O\N=C(/CBr)C1=CC=CC=C1 SBB085154 [1,1,0,0,0,0|1,0,1]=4 276 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 SBB038706 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 SBB028287 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 SBB058414 [1,1,0,0,0,0|0,0,0]=2 279 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 SBB056753 [1,1,0,0,0,0|0,0,0]=2 280 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 SBB035779 [1,1,0,0,0,0|0,0,0]=2 281 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 SBB058461 [1,1,0,0,0,0|0,0,0]=2 282 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 SBB040250 [1,1,0,0,0,0|0,0,0]=2 283 B11R1.22 CCC(N)C1=CC=C(C)C=C1 SBB017924 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 SBB046785 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.22 CCC(N)C1=CC=C(F)C=C1 SBB010339 [1,1,0,0,0,0|1,0,1]=4 286 B11R1.22 CCC(N)C1=CC=C(O)C=C1 SBB080407 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.22 CCC(O)C1=CC=C(F)C=C1 SBB087018 [1,1,0,0,0,0|0,0,2]=4 288 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 SBB051043 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.22 CNC(=O)C1=CC=C(C)C=C1 SBB008263 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 SBB003861 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 SBB000104 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 SBB063144 [1,1,0,0,0,0|0,0,0]=2 293 B11R1.22 COC(=O)C1=CC=C(Br)N=C1 SBB053855 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.22 COC(=O)C1=CC=C(C)C=C1 SBB064103 [1,1,0,0,0,0|0,0,0]=2 295 B11R1.22 COC(=O)C1=CC=C(C)N=C1 SBB053798 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 SBB063826 [1,1,0,0,0,0|0,0,0]=2 297 B11R1.22 COC(=O)C1=CC=C(Cl)N=C1 SBB005815 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 SBB053957 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.22 COC(=O)C1=CC=C(F)C=C1 SBB053694 [1,1,0,0,0,0|0,0,0]=2 300 B11R1.22 COC(=O)C1=CC=C(I)C=C1 SBB063273 [1,1,0,0,0,0|0,0,0]=2 301 B11R1.22 COC(=O)C1=CC=C(N)N=C1 SBB015053 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.22 COC(=O)C1=CC=C(O)C=C1 SBB040908 [1,1,0,0,0,0|0,0,0]=2 303 B11R1.22 COC(=O)C1=CC=[N+](C)C=C1 SBB086856 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.22 COC(=O)C1=CC=[N+]([O-])C=C1 SBB059050 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.22 COC(=O)C1=CN=C(F)C=C1 SBB065264 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.22 COC(=O)C1=COC(=O)C=C1 SBB000117 [1,1,0,0,0,0|1,0,0]=3 307 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 SBB053856 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.22 COC(=O)C1=NC=C(C)N=C1 SBB053940 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 SBB053941 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.22 COC(=O)C1=NC=C(O)N=C1 SBB014253 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.22 COC(=O)C1=NNC(=O)C=C1 SBB042722 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.22 NC1=CC=C(C(=O)OC)C=C1 SBB004063 [1,1,0,0,0,0|0,0,0]=2 313 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 SBB100801 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 SBB017900 [1,1,0,0,0,0|1,0,0]=3 315 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 SBB093579 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 SBB028150 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 SBB003853 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 SBB002375 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 SBB007555 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 SBB043780 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 SBB038654 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 SBB006561 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.22 O=CC(=O)C1=CC=C(F)C=C1 SBB088374 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.23 CC1=CC(C(=O)NN)=CC=C1 SBB005141 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 SBB012414 [1,1,0,0,0,0|0,0,0]=2 326 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 SBB058431 [1,1,0,0,0,0|0,0,0]=2 327 B11R1.23 CCC(=O)C1=CC=CC(F)=C1 SBB086852 [1,1,0,0,0,0|0,0,0]=2 328 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 SBB046784 [1,1,0,0,0,0|1,0,1]=4 329 B11R1.23 CCC(O)C1=CC(F)=CC=C1 SBB087015 [1,1,0,0,0,0|0,0,2]=4 330 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 SBB051764 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.23 CNC(=O)C1=CC=NC(Cl)=C1 SBB047237 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 SBB055632 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 SBB053805 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.23 COC(=O)C1=CC(N)=NC=C1 SBB053806 [1,1,0,0,0,0|1,0,0]=3 335 B11R1.23 COC(=O)C1=CC(O)=CC=C1 SBB040838 [1,1,0,0,0,0|0,0,0]=2 336 B11R1.23 COC(=O)C1=CC(O)=CN=C1 SBB053854 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.23 COC(=O)C1=CC=CC(Br)=C1 SBB063142 [1,1,0,0,0,0|0,0,0]=2 338 B11R1.23 COC(=O)C1=CC=CC(C)=C1 SBB063121 [1,1,0,0,0,0|0,0,0]=2 339 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 SBB063165 [1,1,0,0,0,0|0,0,0]=2 340 B11R1.23 COC(=O)C1=CC=CC(N)=C1 SBB028299 [1,1,0,0,0,0|0,0,0]=2 341 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 SBB065286 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.23 COC(=O)C1=CN=CC(C)=C1 SBB065251 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.23 COC(=O)C1=C[N+]([O-])=CC=C1 SBB086899 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.23 COC(=O)C1=NC(C)=CC=C1 SBB116754 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 SBB041080 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.23 COC(=O)C1=NC(F)=CC=C1 SBB065261 [1,1,0,0,0,0|1,0,0]=3 347 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 SBB053796 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 SBB055221 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.23 NNC(=O)C1=CC(O)=CC=C1 SBB000110 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.23 NNC(=O)C1=CC=CC(Br)=C1 SBB032276 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.23 NNC(=O)C1=CC=CC(Cl)=C1 SBB040978 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.23 NNC(=O)C1=CC=CC(I)=C1 SBB102485 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.23 NNC(=O)C1=CC=CC(N)=C1 SBB028304 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.23 O=CC(=O)C1=CC(F)=CC=C1 SBB071511 [1,1,0,0,0,0|1,0,1]=4 355 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 SBB064017 [1,1,0,0,0,0|0,0,1]=3 356 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 SBB058576 [1,1,0,0,0,0|0,0,0]=2 357 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 SBB058219 [1,1,0,0,0,0|1,0,0]=3 358 B11R1.36 O=C(C1=CC=CC=C1)C(F)F SBB087123 [1,1,0,0,0,0|1,0,0]=3 359 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 SBB057084 [1,1,0,0,0,0|1,0,1]=4 360 B11R1.222 CC1=CC=CC=C1C(=O)NN SBB028289 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.222 CCC(=O)C1=C(F)C=CC=C1 SBB086854 [1,1,0,0,0,0|0,0,0]=2 362 B11R1.222 CCC(=O)C1=CC=CC=C1O SBB063301 [1,1,0,0,0,0|0,0,0]=2 363 B11R1.222 CCC(C)C1=CC=CC=C1N SBB061726 [1,1,0,0,0,0|1,0,1]=4 364 B11R1.222 CCC(C)C1=CC=CC=C1O SBB061123 [1,1,0,0,0,0|1,0,1]=4 365 B11R1.222 CNC(=O)C1=C(C)C=CC=C1 SBB086650 [1,1,0,0,0,0|1,0,0]=3 366 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 SBB017650 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.222 CNC(=O)C1=CC=CN=C1Cl SBB051029 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.222 COC(=O)C1=C(C)N=CC=C1 SBB065253 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.222 COC(=O)C1=C(I)C=CC=C1 SBB064152 [1,1,0,0,0,0|0,0,0]=2 370 B11R1.222 COC(=O)C1=C(O)C=NC=C1 SBB086891 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.222 COC(=O)C1=C(S)C=CC=C1 SBB108743 [1,1,0,0,0,0|0,0,0]=2 372 B11R1.222 COC(=O)C1=CC=CC=C1Br SBB065110 [1,1,0,0,0,0|0,0,0]=2 373 B11R1.222 COC(=O)C1=CC=CC=C1C SBB063118 [1,1,0,0,0,0|0,0,0]=2 374 B11R1.222 COC(=O)C1=CC=CC=C1Cl SBB058225 [1,1,0,0,0,0|0,0,0]=2 375 B11R1.222 COC(=O)C1=CC=CC=C1F SBB063605 [1,1,0,0,0,0|0,0,0]=2 376 B11R1.222 COC(=O)C1=CC=CC=C1N SBB059788 [1,1,0,0,0,0|0,0,0]=2 377 B11R1.222 COC(=O)C1=CC=CC=C1O SBB053705 [1,1,0,0,0,0|0,0,0]=2 378 B11R1.222 COC(=O)C1=CC=CN=C1N SBB053869 [1,1,0,0,0,0|1,0,0]=3 379 B11R1.222 COC(=O)C1=CC=CN=C1O SBB053833 [1,1,0,0,0,0|1,0,0]=3 380 B11R1.222 COC(=O)C1=CC=CN=C1S SBB073627 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.222 COC(=O)C1=CC=COC1=O SBB053960 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.222 COC(=O)C1=CC=NC=C1N SBB053801 [1,1,0,0,0,0|1,0,0]=3 383 B11R1.222 COC(=O)C1=CN=CC=C1C SBB053807 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.222 COC(=O)C1=CN=CC=C1Cl SBB053827 [1,1,0,0,0,0|1,0,0]=3 385 B11R1.222 COC(=O)C1=CN=CC=C1N SBB053808 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.222 COC(=O)C1=NC=CC=C1N SBB053823 [1,1,0,0,0,0|1,0,0]=3 387 B11R1.222 COC(=O)C1=NC=CN=C1N SBB004048 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.222 NC1=CC=CC=C1C(=O)NO SBB017324 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 SBB032274 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 SBB028312 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 SBB007759 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.222 NNC(=O)C1=CC=CC=C1Cl SBB003851 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.222 NNC(=O)C1=CC=CC=C1N SBB021059 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.222 O=C(CBr)C1=CC=CC=C1F SBB051669 [1,1,0,0,0,0|1,0,0]=3 395 B11R1.222 O=C(NO)C1=CC=CC=C1O SBB043988 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.1 CCCCC1=CC=C(Cl)C=C1 SBB116909 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.1 CCCCC1=CC=C(N)C=C1 SBB008298 [1,1,0,0,0,0|1,0,1]=4 398 B11R1.1 CCCCC1=CC=C(O)C=C1 SBB059153 [1,1,0,0,0,0|1,0,1]=4 399 B11R1.1 CCCOC1=CC=C(Br)C=C1 SBB059354 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.1 CCCOC1=CC=C(N)C=C1 SBB008316 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.1 CCCOC1=CC=C(O)C=C1 SBB059151 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.1 CCNCC1=CC=C(Cl)C=C1 SBB080066 [1,1,0,0,0,0|1,0,1]=4 403 B11R1.17 CCCOC1=CC=CC=C1C SBB060850 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.17 CCCOC1=CC=CC=C1N SBB027936 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.24 CCCNC1=CC(C)=CC=C1 SBB048620 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.24 CCCOC1=CC(N)=CC=C1 SBB080014 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.28 CCCCCC1=CC=CC=C1 SBB057141 [1,1,0,0,0,0|1,0,1]=4 408 B11R1.28 CCCCNC1=CC=CC=C1 SBB058812 [1,1,0,0,0,0|1,0,1]=4 409 B11R1.28 CCCCOC1=CC=CC=C1 SBB060061 [1,1,0,0,0,0|1,0,1]=4 410 B11R1.28 CCCNCC1=CC=CC=C1 SBB080024 [1,1,0,0,0,0|1,0,1]=4 411 B11R1.28 CCCOCC1=CC=CC=C1 SBB061197 [1,1,0,0,0,0|0,0,1]=3 412 B11R1.28 CCC\C=N\C1=CC=CC=C1 SBB055434 [1,1,0,0,0,0|1,0,0]=3 413 B11R1.28 CCO\C=N\C1=CC=CC=C1 SBB059636 [1,1,0,0,0,0|0,0,0]=2 414 B11R1.28 CNCCOC1=CC=CC=C1 SBB027283 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.28 COCCSC1=CC=CC=C1 SBB116878 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.28 ClCCCOC1=CC=CC=C1 SBB300461 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.28 ClCCNCC1=CC=CC=C1 SBB052393 [1,1,0,0,0,0|1,0,1]=4 418 B11R1.28 NCCCOC1=CC=CC=C1 SBB043657 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.28 NCCCSC1=CC=CC=C1 SBB071863 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.28 NCCNCC1=CC=CC=C1 SBB028295 [1,1,0,0,0,0|1,0,1]=4 421 B11R1.28 NCCOCC1=CC=CC=C1 SBB050278 [1,1,0,0,0,0|0,0,1]=3 422 B11R1.28 NCCOCC1=CC=CC=C1 SBB055150 [1,1,0,0,0,0|0,0,1]=3 423 B11R1.28 NCCSCC1=CC=CC=C1 SBB003512 [1,1,0,0,0,0|0,1,1]=4 424 B11R1.28 OCCNCC1=CC=CC=C1 SBB004062 [1,1,0,0,0,0|1,0,1]=4 425 B11R1.28 OCCOCC1=CC=CC=C1 SBB063066 [1,1,0,0,0,0|0,0,1]=3 426 B11R1.28 OCCSCC1=CC=CC=C1 SBB058901 [1,1,0,0,0,0|0,1,1]=4 427 B11R1.40 CCC(=O)CC1=CC=CC=C1 SBB060892 [1,1,0,0,0,0|1,0,1]=4 428 B11R1.91 CC(=O)OCC1=CC=CC=C1 SBB058375 [1,1,0,0,0,0|0,0,2]=4 429 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 SBB057853 [1,1,0,0,0,0|1,0,1]=4 430 B11R1.91 CC(C)NCC1=CC=CC=C1 SBB048017 [1,1,0,0,0,0|1,0,1]=4 431 B11R1.91 CC(N)CCC1=CC=CC=C1 SBB059846 [1,1,0,0,0,0|1,0,1]=4 432 B11R1.91 CC(N)COC1=CC=CC=C1 SBB084093 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.91 CC(O)C#CC1=CC=CC=C1 SBB015100 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.15 CCNC(=O)C1=CC=C(Br)O1 SBB047049 [0,1,0,0,1,0|2,0,0]=4 435 B11R1.15 CCNC(=O)C1=CC=C(Br)S1 SBB047069 [0,1,0,0,1,0|2,0,0]=4 436 B11R1.15 CCOC(=O)C1=CC(C)=NN1 SBB053932 [0,1,0,0,1,0|2,0,0]=4 437 B11R1.15 CCOC(=O)C1=CC=C(Br)S1 SBB068484 [0,1,0,0,1,0|1,0,0]=3 438 B11R1.15 CCOC(=O)C1=CC=C(Cl)S1 SBB068483 [0,1,0,0,1,0|1,0,0]=3 439 B11R1.15 CCOC(=O)C1=CC=C(F)S1 SBB073634 [0,1,0,0,1,0|1,0,0]=3 440 B11R1.15 CCOC(=O)C1=CN(C)N=C1 SBB116499 [0,1,0,0,1,0|2,0,0]=4 441 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 SBB053906 [0,1,0,0,1,0|2,0,0]=4 442 B11R1.15 CCOC(=O)C1=CN=C(C)S1 SBB053908 [0,1,0,0,1,0|2,0,0]=4 443 B11R1.15 CCOC(=O)C1=CN=C(N)O1 SBB053929 [0,1,0,0,1,0|2,0,0]=4 444 B11R1.15 CCOC(=O)C1=CN=C(N)S1 SBB066388 [0,1,0,0,1,0|2,0,0]=4 445 B11R1.15 CCOC(=O)C1=CNC(S)=N1 SBB088664 [0,1,0,0,1,0|2,0,0]=4 446 B11R1.15 CCOC(=O)C1=COC(C)=N1 SBB053930 [0,1,0,0,1,0|2,0,0]=4 447 B11R1.15 CCOC(=O)C1=COC(Cl)=N1 SBB067111 [0,1,0,0,1,0|2,0,0]=4 448 B11R1.15 CCOC(=O)C1=COC(N)=N1 SBB053928 [0,1,0,0,1,0|2,0,0]=4 449 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 SBB053905 [0,1,0,0,1,0|2,0,0]=4 450 B11R1.15 CCOC(=O)C1=CSC(C)=N1 SBB088520 [0,1,0,0,1,0|2,0,0]=4 451 B11R1.15 CCOC(=O)C1=CSC(N)=N1 SBB000178 [0,1,0,0,1,0|2,0,0]=4 452 B11R1.15 CCOC(=O)C1=NN(C)C=C1 SBB030498 [0,1,0,0,1,0|2,0,0]=4 453 B11R1.15 CCOC(=O)C1=NNC(N)=C1 SBB025726 [0,1,0,0,1,0|2,0,0]=4 454 B11R1.15 CCOC(=O)C1=NNC(O)=C1 SBB026848 [0,1,0,0,1,0|2,0,0]=4 455 B11R1.15 CCOC(=O)C1=NOC(C)=C1 SBB050105 [0,1,0,0,1,0|2,0,0]=4 456 B11R1.15 CCOC(=O)C1=NOC(O)=C1 SBB026075 [0,1,0,0,1,0|2,0,0]=4 457 B11R1.29 CCCCC(=O)C1=CC=CS1 SBB048219 [0,1,0,0,1,0|2,0,0]=4 458 B11R1.199 CCOC(=O)C1=C(C)N=CN1 SBB057641 [0,1,0,0,1,0|2,0,0]=4 459 B11R1.199 CCOC(=O)C1=C(C)N=CO1 SBB013591 [0,1,0,0,1,0|2,0,0]=4 460 B11R1.199 CCOC(=O)C1=C(C)OC=N1 SBB087057 [0,1,0,0,1,0|2,0,0]=4 461 B11R1.199 CCOC(=O)C1=C(C)ON=C1 SBB087055 [0,1,0,0,1,0|2,0,0]=4 462 B11R1.199 CCOC(=O)C1=C(I)C=NN1 SBB073964 [0,1,0,0,1,0|2,0,0]=4 463 B11R1.199 CCOC(=O)C1=C(N)ON=C1 SBB010372 [0,1,0,0,1,0|2,0,0]=4 464 B11R1.199 CCOC(=O)C1=C(N)SC=C1 SBB017968 [0,1,0,0,1,0|1,0,0]=3 465 B11R1.199 CCOC(=O)C1=C(O)ON=C1 SBB026074 [0,1,0,0,1,0|2,0,0]=4 466 B11R1.199 CCOC(=O)C1=CC=NN1C SBB025013 [0,1,0,0,1,0|2,0,0]=4 467 B11R1.199 CCOC(=O)C1=CNN=C1N SBB001936 [0,1,0,0,1,0|2,0,0]=4 468 B11R1.199 CCOC(=O)C1=CSN=C1C SBB088517 [0,1,0,0,1,0|2,0,0]=4 469 B11R1.199 CCOC(=O)C1=NC=CN1C SBB013235 [0,1,0,0,1,0|2,0,0]=4 470 B11R1.199 CCOC(=O)C1=NNC=C1N SBB013514 [0,1,0,0,1,0|2,0,0]=4 471 B13R1.19 CC1=CC=C(NC(=O)CCCl)C=C1 SBB072086 [0,1,0,0,0,1|2,0,0]=4 472 B13R1.19 CCCC(=O)NC1=CC=C(N)C=C1 SBB080276 [0,1,0,0,0,1|1,0,0]=3 473 B13R1.19 CCNC(=S)NC1=CC=C(Br)C=C1 SBB000974 [0,1,0,0,0,1|1,1,0]=4 474 B13R1.19 CCNC(=S)NC1=CC=C(F)C=C1 SBB000373 [0,1,0,0,0,1|1,1,0]=4 475 B13R1.19 CCNC(=S)NC1=CC=C(I)C=C1 SBB006260 [0,1,0,0,0,1|1,1,0]=4 476 B13R1.19 CCOC(=O)NC1=CC=C(N)C=C1 SBB072360 [0,1,0,0,0,1|0,0,0]=2 477 B13R1.19 CCOC(C)OC1=CC=C(Br)C=C1 SBB009965 [0,1,0,0,0,1|1,0,1]=4 478 B13R1.19 NC1=CC=C(CC(=O)OCC)C=C1 SBB005813 [0,1,0,0,0,1|0,0,0]=2 479 B13R1.19 O=C(CCCl)NC1=CC=C(Br)C=C1 SBB102589 [0,1,0,0,0,1|2,0,0]=4 480 B13R1.19 O=C(CCCl)NC1=CC=C(Cl)C=C1 SBB108388 [0,1,0,0,0,1|2,0,0]=4 481 B13R1.19 O=C(CCCl)NC1=CC=C(F)C=C1 SBB038546 [0,1,0,0,0,1|2,0,0]=4 482 B13R1.20 CCCC(=O)NC1=CC=CC(N)=C1 SBB051056 [0,1,0,0,0,1|1,0,0]=3 483 B13R1.20 CCOC(=O)NC1=CC=CC(Cl)=C1 SBB057887 [0,1,0,0,0,1|0,0,0]=2 484 B13R1.20 CCOC(=O)NC1=CC=CC(N)=C1 SBB072610 [0,1,0,0,0,1|0,0,0]=2 485 B13R1.20 NCCC(=O)NC1=CC=CC(F)=C1 SBB018518 [0,1,0,0,0,1|2,0,0]=4 486 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 SBB056566 [0,1,0,0,0,1|1,0,0]=3 487 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 SBB061302 [0,1,0,0,0,1|0,0,0]=2 488 B13R1.47 C=C(C(=O)OCC)C1=CC=CC=C1 SBB053701 [0,1,0,0,0,1|0,0,0]=2 489 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 SBB053693 [0,1,0,0,0,1|0,0,0]=2 490 B13R1.47 CCOC(=O)C(C)C1=CC=CC=C1 SBB054100 [0,1,0,0,0,1|0,0,0]=2 491 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 SBB065016 [0,1,0,0,0,1|0,0,0]=2 492 B13R1.348 CC(C)NC(=O)NC1=CC=CC=C1 SBB056571 [0,1,0,0,0,1|1,0,0]=3 493 B13R1.348 N(C(=O)CC(C)=O)C1=CC=CC=C1 SBB003774 [0,1,0,0,0,1|1,0,1]=4 494 B13R1.470 CCNC(=S)NC1=CC=CC=C1N SBB017483 [0,1,0,0,0,1|1,1,0]=4 495 B13R1.470 CCOC(=O)CC1=CC=CC=C1Br SBB053727 [0,1,0,0,0,1|0,0,0]=2 496 B13R1.17 CC1=CC=C(C(=O)CCCCl)C=C1 SBB005845 [0,2,0,0,0,0|1,0,0]=3 497 B13R1.17 CCCCC(=O)C1=CC=C(Br)C=C1 SBB065070 [0,2,0,0,0,0|1,0,0]=3 498 B13R1.17 CCCCC(=O)C1=CC=C(Cl)C=C1 SBB005774 [0,2,0,0,0,0|1,0,0]=3 499 B13R1.17 CCCCC(=O)C1=CC=C(F)C=C1 SBB005843 [0,2,0,0,0,0|1,0,0]=3 500 B13R1.17 CCCCC(=O)C1=CC=C(O)C=C1 SBB063295 [0,2,0,0,0,0|1,0,0]=3 501 B13R1.17 CCCNC(=O)C1=CC=C(N)C=C1 SBB046817 [0,2,0,0,0,0|1,0,0]=3 502 B13R1.17 CCCOC(=O)C1=CC=C(N)C=C1 SBB015273 [0,2,0,0,0,0|0,0,0]=2 503 B13R1.17 N#CCCC(=O)C1=CC=C(Br)C=C1 SBB079132 [0,2,0,0,0,0|1,0,1]=4 504 B13R1.17 NC1=CC=C(C(=O)NCCO)C=C1 SBB017879 [0,2,0,0,0,0|1,0,0]=3 505 B13R1.17 O=C(CCCCl)C1=CC=C(Cl)C=C1 SBB058352 [0,2,0,0,0,0|1,0,0]=3 506 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 SBB003536 [0,2,0,0,0,0|1,0,0]=3 507 B13R1.17 OC1=CC=C(C(=O)OCCC)C=C1 SBB015060 [0,2,0,0,0,0|0,0,0]=2 508 B13R1.29 CCNS(=O)(=O)C1=CC=C(N)C=C1 SBB019570 [0,2,0,0,0,0|2,0,0]=4 509 B13R1.29 CCOS(=O)(=O)C1=CC=C(C)C=C1 SBB060597 [0,2,0,0,0,0|1,0,0]=3 510 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)C=C1 SBB055091 [0,2,0,0,0,0|1,0,1]=4 511 B13R1.132 CC(C)NC(=O)C1=CC=C(F)C=C1 SBB089802 [0,2,0,0,0,0|1,0,0]=3 512 B13R1.132 CC(C)NC(=O)C1=CC=C(N)C=C1 SBB046815 [0,2,0,0,0,0|1,0,0]=3 513 B13R1.132 CC(C)OC(=O)C1=CC=C(N)C=C1 SBB007108 [0,2,0,0,0,0|0,0,0]=2 514 B13R1.132 CC(C)OC(=O)C1=CC=C(O)C=C1 SBB080171 [0,2,0,0,0,0|0,0,0]=2 515 B13R1.132 CC1=CC=C(C(=O)[N-][S+](C)C)C=C1 SBB091917 [0,2,0,0,0,0|2,0,0]=4 516 B13R1.132 C[S+](C)[N-]C(=O)C1=CC=C(Cl)C=C1 SBB095168 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.452 CCCC(=O)C1=CC=C(CC)C=C1 SBB056543 [0,2,0,0,0,0|1,0,0]=3 518 B13R1.452 CCCC(=O)C1=CC=C(OC)C=C1 SBB048006 [0,2,0,0,0,0|1,0,0]=3 519 B13R1.452 CCOC(=O)C1=CC=C(CBr)C=C1 SBB063062 [0,2,0,0,0,0|0,0,0]=2 520 B13R1.452 CCOC(=O)C1=CC=C(OC)C=C1 SBB071416 [0,2,0,0,0,0|0,0,0]=2 521 B13R1.452 CCOC(=O)C1=CN=C(SC)N=C1 SBB065718 [0,2,0,0,0,0|2,0,0]=4 522 B13R1.452 COC1=CC=C(C(=O)CCCl)C=C1 SBB055437 [0,2,0,0,0,0|2,0,0]=4 523 B13R1.466 CCCC(=O)C1=CC=C(C)C(C)=C1 SBB017370 [0,2,0,0,0,0|1,0,0]=3 524 B13R1.466 CCOC(=O)C1=CC(Cl)=C(Cl)N=C1 SBB014427 [0,2,0,0,0,0|1,0,0]=3 525 B13R1.466 CCOC(=O)C1=CC(I)=C(N)C=C1 SBB035799 [0,2,0,0,0,0|0,0,0]=2 526 B13R1.466 CCOC(=O)C1=CC=C(F)C(F)=C1 SBB064627 [0,2,0,0,0,0|0,0,0]=2 527 B13R1.466 CCOC(=O)C1=CC=C(N)C(N)=C1 SBB079269 [0,2,0,0,0,0|0,0,0]=2 528 B13R1.466 CCOC(=O)C1=CC=C(O)C(Br)=C1 SBB067771 [0,2,0,0,0,0|0,0,0]=2 529 B13R1.466 CCOC(=O)C1=CC=C(O)C(N)=C1 SBB072081 [0,2,0,0,0,0|0,0,0]=2 530 B13R1.466 CCOC(=O)C1=CC=C(O)C(O)=C1 SBB063061 [0,2,0,0,0,0|0,0,0]=2 531 B13R1.466 CNCC(=O)C1=CC=C(O)C(O)=C1 SBB057989 [0,2,0,0,0,0|2,0,0]=4 532 B13R1.1511 CCOC(=O)C1=C(N)N=C(S)N=C1 SBB024243 [0,2,0,0,0,0|2,0,0]=4 533 B13R1.1511 CCOC(=O)C1=C(N)NC(=S)N=C1 SBB012821 [0,2,0,0,0,0|2,0,0]=4 534 B13R1.1511 CCOC(=O)C1=C(O)C=C(O)N=C1 SBB053841 [0,2,0,0,0,0|1,0,0]=3 535 B13R1.1511 CCOC(=O)C1=C(O)N=C(C)N=C1 SBB089892 [0,2,0,0,0,0|2,0,0]=4 536 B13R1.1511 CCOC(=O)C1=CC=C(F)C=C1F SBB064610 [0,2,0,0,0,0|0,0,0]=2 537 B13R1.1511 CCOC(=O)C1=CC=C(F)C=C1N SBB053716 [0,2,0,0,0,0|0,0,0]=2 538 B13R1.1511 CCOC(=O)C1=CN=C(Cl)C=C1Cl SBB062779 [0,2,0,0,0,0|1,0,0]=3 539 B13R1.1511 CCOC(=O)C1=CN=C(N)N=C1C SBB053944 [0,2,0,0,0,0|2,0,0]=4 540 B13R1.1511 CCOC(=O)C1=CN=C(N)N=C1N SBB083050 [0,2,0,0,0,0|2,0,0]=4 541 B13R1.1511 CCOC(=O)C1=CN=C(N)N=C1O SBB057997 [0,2,0,0,0,0|2,0,0]=4 542 B13R1.1511 CCOC(=O)C1=CN=C(O)N=C1C SBB083048 [0,2,0,0,0,0|2,0,0]=4 543 B13R1.1511 CCOC(=O)C1=CN=C(O)N=C1N SBB083049 [0,2,0,0,0,0|2,0,0]=4 544 B13R1.1511 CCOC(=O)C1=CNC(=S)NC1=O SBB056783 [0,2,0,0,0,0|2,0,0]=4 545 B13R1.1511 COCC(=O)C1=CC=C(O)C=C1O SBB055503 [0,2,0,0,0,0|2,0,0]=4 546 B13R1.12 CCNC(=O)C1=C(C)C(N)=CC=C1 SBB302834 [0,2,0,0,0,0|1,0,0]=3 547 B13R1.18 C=CCNC(=O)C1=CC=CC(Cl)=C1 SBB091933 [0,2,0,0,0,0|1,0,1]=4 548 B13R1.18 CCCNC(=O)C1=CC(N)=CC=C1 SBB080268 [0,2,0,0,0,0|1,0,0]=3 549 B13R1.18 O=C(NCCO)C1=CC(Cl)=CC=C1 SBB072455 [0,2,0,0,0,0|1,0,0]=3 550 B13R1.147 CC(C)NC(=O)C1=CC=CC(N)=C1 SBB051057 [0,2,0,0,0,0|1,0,0]=3 551 B13R1.147 CC(C)OC(=O)C1=CC(O)=CC=C1 SBB080175 [0,2,0,0,0,0|0,0,0]=2 552 B13R1.147 C[S+](C)[N-]C(=O)C1=CC=CC(F)=C1 SBB092474 [0,2,0,0,0,0|2,0,0]=4 553 B13R1.446 CCOC(=O)C1=C(Cl)N=CC(Cl)=C1 SBB013119 [0,2,0,0,0,0|1,0,0]=3 554 B13R1.446 CCOC(=O)C1=CC(Br)=CC=C1Cl SBB053793 [0,2,0,0,0,0|0,0,0]=2 555 B13R1.446 CCOC(=O)C1=CC(Br)=CC=C1O SBB067765 [0,2,0,0,0,0|0,0,0]=2 556 B13R1.446 CCOC(=O)C1=CC(Cl)=CC=C1Cl SBB057894 [0,2,0,0,0,0|0,0,0]=2 557 B13R1.446 CCOC(=O)C1=CC(I)=CC=C1N SBB064987 [0,2,0,0,0,0|0,0,0]=2 558 B13R1.450 CCOC(=O)C1=CC(Cl)=NC(C)=C1 SBB065620 [0,2,0,0,0,0|1,0,0]=3 559 B13R1.460 CCOC(=O)C1=CC(C#N)=CN=C1 SBB019407 [0,2,0,0,0,0|1,0,0]=3 560 B13R1.460 CCOC(=O)C1=CC=CC(OC)=C1 SBB071413 [0,2,0,0,0,0|0,0,0]=2 561 B13R1.460 CCOC(=O)C1=NC(CO)=CC=C1 SBB053815 [0,2,0,0,0,0|1,0,0]=3 562 B13R1.11 CCC(C)NC(=O)C1=CC=CC=C1 SBB058214 [0,2,0,0,0,0|1,0,0]=3 563 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 SBB058875 [0,2,0,0,0,0|1,0,0]=3 564 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 SBB060566 [0,2,0,0,0,0|0,0,0]=2 565 B13R1.24 NCCCNC(=O)C1=NC=CC=C1 SBB301291 [0,2,0,0,0,0|2,0,0]=4 566 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 SBB071424 [0,2,0,0,0,0|1,0,0]=3 567 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 SBB063952 [0,2,0,0,0,0|0,0,1]=3 568 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 SBB068823 [0,2,0,0,0,0|1,0,0]=3 569 B13R1.45 CN(C)\C=C/C(=O)C1=CC=CC=C1 SBB023014 [0,2,0,0,0,0|1,0,1]=4 570 B13R1.45 CN(C)\C=N\C(=O)C1=CC=CC=C1 SBB055111 [0,2,0,0,0,0|1,0,1]=4 571 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 SBB057733 [0,2,0,0,0,0|1,0,1]=4 572 B13R1.45 O=C(O)COC(=O)C1=CN=CC=C1 SBB056615 [0,2,0,0,0,0|1,0,1]=4 573 B13R1.45 OC(=O)CNC(=O)C1=CC=CC=C1 SBB003759 [0,2,0,0,0,0|1,0,1]=4 574 B13R1.45 [NH+](C)(C)CCC(=O)C1=CC=CC=C1 SBB057905 [0,2,0,0,0,0|1,0,0]=3 575 B13R1.122 O=S(=O)(NCCCl)C1=CC=CC=C1 SBB000594 [0,2,0,0,0,0|2,0,0]=4 576 B13R1.674 C=CCNC(=O)C1=CC=CC=C1N SBB079880 [0,2,0,0,0,0|1,0,1]=4 577 B13R1.674 CCCNC(=O)C1=CC=CC=C1N SBB079892 [0,2,0,0,0,0|1,0,0]=3 578 B13R1.674 O=C(OCCO)C1=C(O)C=CC=C1 SBB058788 [0,2,0,0,0,0|0,0,0]=2 579 B13R1.86 CCN(CC)C(=O)C1=CC=CC=C1 SBB058226 [0,2,0,0,0,0|1,0,0]=3 580 B13R1.86 CCN(CC)C(=O)C1=CN=CC=C1 SBB056987 [0,2,0,0,0,0|2,0,0]=4 581 B13R1.201 CC(=O)CC(=O)C1=C(O)C=CC=C1 SBB007835 [0,2,0,0,0,0|1,0,1]=4 582 B13R1.201 CC(C)NC(=O)C1=CC=CC=C1N SBB018376 [0,2,0,0,0,0|1,0,0]=3 583 B13R1.201 CC(C)OC(=O)C1=C(N)C=CC=C1 SBB017701 [0,2,0,0,0,0|0,0,0]=2 584 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1Br SBB099679 [0,2,0,0,0,0|0,0,0]=2 585 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1O SBB065090 [0,2,0,0,0,0|0,0,0]=2 586 B13R1.352 CC(C)(C)NC(=O)C1=CC=CC=C1 SBB008207 [0,2,0,0,0,0|1,0,0]=3 587 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 SBB047682 [0,2,0,0,0,0|2,0,0]=4 588 B13R1.464 CCOC(=O)C1=C(OC)C=CC=C1 SBB064138 [0,2,0,0,0,0|0,0,0]=2 589 B13R1.4453 CCOC(=O)C1=C(C)C=CN=C1C SBB058041 [0,2,0,0,0,0|1,0,0]=3 590 B11R1.189 C(=O)C1=CC(OCC)=CC=C1 SBB004072 [0,0,1,1,0,0|2,0,0]=4 591 B11R1.41 CCOC1=CC=CC=C1C=O SBB040196 [0,0,1,1,0,0|2,0,0]=4 592 B11R2.1 NC1=NCC2=C1C=CC=C2 SBB003870 [1,0,0,1,0,0|2,0,0]=4 593 B11R2.1 NC1=NCC2=C1C=CC=C2 SBB003871 [1,0,0,1,0,0|2,0,0]=4 594 B11R2.1 NC1CCC2=C1C=CC=C2 SBB004212 [1,0,0,1,0,0|1,0,1]=4 595 B11R2.1 O=C1CCC2=C1C=CC=N2 SBB056372 [1,0,0,1,0,0|1,0,0]=3 596 B11R2.1 O=C1CCC2=CC=CC=C12 SBB056339 [1,0,0,1,0,0|0,0,0]=2 597 B11R2.1 O=C1COC2=CC=CC=C12 SBB056285 [1,0,0,1,0,0|1,0,0]=3 598 B11R2.1 O=C1NNC2=C1C=CC=C2 SBB004210 [1,0,0,1,0,0|2,0,0]=4 599 B11R2.1 O=C1OCC2=C1C=CC=C2 SBB056840 [1,0,0,1,0,0|0,0,0]=2 600 B11R2.40 NC1(C2=CC=CC=C2)CC1 SBB052390 [1,0,0,1,0,0|1,0,1]=4 601 B11R2.20 C1=CC2=C(C=C1)CCCC2 SBB060619 [1,0,0,1,0,0|1,0,1]=4 602 B11R2.20 C1=CC2=C(C=C1)CNCC2 SBB027303 [1,0,0,1,0,0|1,0,1]=4 603 B11R2.20 C1=CC=C2NCCCC2=C1 SBB040463 [1,0,0,1,0,0|2,0,0]=4 604 B11R2.106 O=C1CCCC2=C1C=CS2 SBB038712 [0,0,0,1,1,0|2,0,0]=4 605 B13R2.15 O=C1OCCN1C2=CC=CC=C2 SBB008146 [0,0,0,1,0,1|0,0,0]=2 606 B13R2.26 CCCC1=NC2=CC=CC=C2N1 SBB042551 [0,0,0,1,0,1|2,0,0]=4 607 B13R2.26 CCSC1=NC2=CC=CC=C2N1 SBB045190 [0,0,0,1,0,1|1,1,0]=4 608 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 SBB000360 [0,0,0,1,0,1|2,0,0]=4 609 B13R2.64 C1=CC=C(NC2=NCCS2)C=C1 SBB079576 [0,0,0,1,0,1|1,1,0]=4 610 B13R2.64 N1CCN=C1CC2=CC=CC=C2 SBB003964 [0,0,0,1,0,1|2,0,0]=4 611 B13R2.135 CCN1C(N)=NC2=C1C=CC=C2 SBB006983 [0,0,0,1,0,1|2,0,0]=4 612 B13R2.135 CCN1C2=CC=CC=C2N=C1S SBB010629 [0,0,0,1,0,1|1,1,0]=4 613 B13R2.135 CC[N+]1=C(C)SC2=C1C=CC=C2 SBB058248 [0,0,0,1,0,1|2,0,0]=4 614 B13R2.135 CC[N+]1=C(C)SC2=C1C=CC=C2 SBB059412 [0,0,0,1,0,1|2,0,0]=4 615 B13R2.135 O=C1SC2=CC=CC=C2N1CO SBB056345 [0,0,0,1,0,1|2,0,0]=4 616 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 SBB087533 [0,0,0,1,0,1|1,0,0]=3 617 B13R2.163 O=C1CCNC2=C(C=CC=C2)N1 SBB045898 [0,0,0,1,0,1|2,0,0]=4 618 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 SBB062701 [0,0,0,1,0,1|1,0,1]=4 619 B13R2.328 N1C(=O)OC(=O)C2=C1C=CC=C2 SBB003928 [0,0,0,1,0,1|1,0,1]=4 620 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 SBB069509 [0,0,0,1,0,1|1,0,1]=4 621 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 SBB061269 [0,1,0,1,0,0|2,0,0]=4 622 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 SBB003589 [0,1,0,1,0,0|2,0,0]=4 623 B13R2.3 C1=CC=C(C2CCOCO2)C=C1 SBB068827 [0,1,0,1,0,0|1,0,1]=4 624 B13R2.3 C1=CC=C(C2OCCCO2)C=C1 SBB060991 [0,1,0,1,0,0|0,0,2]=4 625 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 SBB087440 [0,1,0,1,0,0|1,0,1]=4 626 B13R2.10 CC1=NOC(C2=CC=CC=C2)=N1 SBB087430 [0,1,0,1,0,0|1,0,1]=4 627 B13R2.10 CC1COC(C2=CC=CC=C2)O1 SBB060969 [0,1,0,1,0,0|0,0,2]=4 628 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 SBB068903 [0,1,0,1,0,0|1,0,1]=4 629 B13R2.1613 NCC1OCCC2=CC=CC=C21 SBB050938 [0,1,0,1,0,0|1,0,1]=4 630 B13R2.1613 OCC1OCCC2=CC=CC=C21 SBB014270 [0,1,0,1,0,0|0,0,2]=4 631 B13R2.1613 O\N=C1/CCCC2=C1C=CC=C2 SBB030485 [0,1,0,1,0,0|1,0,1]=4 632 B13R2.2931 C(=O)C1=CN(C)C2=C1C=CC=C2 SBB010057 [0,1,0,1,0,0|2,0,0]=4 633 B13R2.12 NC1=CC=C(C2=NCCO2)C=C1 SBB057030 [0,1,0,1,0,0|1,0,0]=3 634 B13R2.520 O=C(C1=CC=C(Br)C=C1)C2CC2 SBB005772 [0,1,0,1,0,0|1,0,0]=3 635 B13R2.520 O=C(C1=CC=C(Cl)C=C1)C2CC2 SBB063027 [0,1,0,1,0,0|1,0,0]=3 636 B13R2.520 O=C(C1=CC=C(F)C=C1)C2CC2 SBB057537 [0,1,0,1,0,0|1,0,0]=3 637 B13R2.5179 CC1=CC=C2C(=O)CCCC2=C1 SBB017371 [0,1,0,1,0,0|1,0,0]=3 638 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCC2 SBB087532 [0,1,0,1,0,0|1,0,0]=3 639 B13R2.5179 O=C1CCCC2=C1C=CC(Br)=C2 SBB068533 [0,1,0,1,0,0|1,0,0]=3 640 B13R2.5179 O=C1CCCC2=C1C=CC(O)=C2 SBB066989 [0,1,0,1,0,0|1,0,0]=3 641 B13R2.5179 O=C1CCOC2=C1C=CC(Br)=C2 SBB068500 [0,1,0,1,0,0|2,0,0]=4 642 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Br)=C2 SBB008534 [0,1,0,1,0,0|1,0,1]=4 643 B13R2.5187 O=C1OC(=O)C2=C1C=CC(F)=C2 SBB059551 [0,1,0,1,0,0|1,0,1]=4 644 B13R2.13 BrC1=CC(C2OCCO2)=CC=C1 SBB067478 [0,1,0,1,0,0|0,0,2]=4 645 B13R2.13 NC1=CC(C2OCCO2)=CC=C1 SBB051785 [0,1,0,1,0,0|0,0,2]=4 646 B13R2.162 CC1=CC2=C(C=C1)OCCC2=O SBB063797 [0,1,0,1,0,0|2,0,0]=4 647 B13R2.162 O=C1CCCC2=C1C=C(Br)C=C2 SBB067093 [0,1,0,1,0,0|1,0,0]=3 648 B13R2.162 O=C1CCNC2=CC=C(Cl)C=C12 SBB054649 [0,1,0,1,0,0|2,0,0]=4 649 B13R2.162 O=C1CCOC2=C1C=C(Cl)C=C2 SBB003732 [0,1,0,1,0,0|2,0,0]=4 650 B13R2.162 O=C1CCOC2=C1C=C(F)C=C2 SBB063762 [0,1,0,1,0,0|2,0,0]=4 651 B13R2.162 O=C1CCSC2=C1C=C(Cl)C=C2 SBB079466 [0,1,0,1,0,0|2,0,0]=4 652 B13R2.162 O=C1CCSC2=C1C=C(F)C=C2 SBB089914 [0,1,0,1,0,0|2,0,0]=4 653 B13R2.342 O=C1CCCC2=C1C=CC=C2O SBB063761 [0,1,0,1,0,0|1,0,0]=3 654 B13R2.4857 CC1=CC=CC2=C1C(=O)OC2=O SBB067249 [0,1,0,1,0,0|1,0,1]=4 655 B13R2.4857 O=C1OC(=O)C2=C(F)C=CC=C12 SBB067076 [0,1,0,1,0,0|1,0,1]=4 656 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2O SBB059273 [0,1,0,1,0,0|1,0,1]=4 657 B13R2.223 CC1(C2=CC=CC=C2)OCCO1 SBB060992 [0,1,0,1,0,0|0,0,2]=4 658 B13R2.371 CC1=NNC(=O)C2=C1C=CC=C2 SBB087432 [0,1,0,1,0,0|1,0,1]=4 659 B13R2.371 CC1CCC(=O)C2=C1C=CC=C2 SBB008494 [0,1,0,1,0,0|1,0,0]=3 660 B13R2.32 CC1CCC2=CC=CC=C2C1=O SBB067641 [0,1,0,1,0,0|1,0,0]=3 661 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 SBB006835 [0,1,0,1,0,0|2,0,0]=4 662 B13R2.12159 CC1(C)OC(=O)C2=CC=CC=C21 SBB056312 [0,1,0,1,0,0|0,0,0]=2 663 B13R2.12159 O=C1OI(=O)(O)C2=CC=CC=C12 SBB056347 [0,1,0,1,0,0|2,0,0]=4 664 B13R2.12159 O=C1OS(=O)(=O)C2=C1C=CC=C2 SBB066363 [0,1,0,1,0,0|2,0,0]=4 665 B13R2.12159 O=S1(=O)OC(Cl)C2=C1C=CC=C2 SBB057542 [0,1,0,1,0,0|2,0,0]=4 666 B13R2.18 BrC1=CC=CC=C1C2OCCO2 SBB067486 [0,1,0,1,0,0|0,0,2]=4 667 B13R2.18 OC1=C(C2=NCCN2)C=CC=C1 SBB057456 [0,1,0,1,0,0|2,0,0]=4 668 B9R1.11 CCC(=O)C1=CC=CS1 SBB028613 [1,0,0,0,1,0|1,0,0]=3 669 B9R1.11 CCC(=O)C1=NC=CS1 SBB109622 [1,0,0,0,1,0|2,0,0]=4 670 B9R1.11 CNC(=O)C1=CC=CS1 SBB086206 [1,0,0,0,1,0|2,0,0]=4 671 B9R1.11 COC(=O)C1=CC=CN1 SBB013762 [1,0,0,0,1,0|1,0,0]=3 672 B9R1.11 COC(=O)C1=CC=CO1 SBB059585 [1,0,0,0,1,0|1,0,0]=3 673 B9R1.11 COC(=O)C1=CC=CS1 SBB058305 [1,0,0,0,1,0|1,0,0]=3 674 B9R1.11 COC(=O)C1=CC=NO1 SBB019121 [1,0,0,0,1,0|2,0,0]=4 675 B9R1.11 COC(=O)C1=CNC=N1 SBB053938 [1,0,0,0,1,0|2,0,0]=4 676 B9R1.11 COC(=O)C1=CSC=C1 SBB066577 [1,0,0,0,1,0|1,0,0]=3 677 B9R1.11 COC(=O)C1=CSC=N1 SBB066586 [1,0,0,0,1,0|2,0,0]=4 678 B9R1.11 COC(=O)C1=NNC=C1 SBB000006 [1,0,0,0,1,0|2,0,0]=4 679 B9R1.11 O=C(CBr)C1=CC=CO1 SBB010227 [1,0,0,0,1,0|2,0,0]=4 680 B9R1.11 O=C(CBr)C1=CC=CS1 SBB005904 [1,0,0,0,1,0|2,0,0]=4 681 B9R1.11 O=C(CCl)C1=CC=CS1 SBB051673 [1,0,0,0,1,0|2,0,0]=4 682 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 SBB080052 [0,0,0,0,0,2|1,0,0]=3 683 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 SBB008827 [0,0,0,0,0,2|0,0,0]=2 684 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 SBB053696 [0,0,0,0,0,2|0,0,0]=2 685 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 SBB060754 [0,0,0,0,0,2|0,0,0]=2