0 B8R1.7 CC(=O)C1=CC=CN1 SBB066752 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.7 CC(=O)C1=CC=CO1 SBB040248 [0,0,0,0,0,0|1,1,0]=2 2 B8R1.7 CC(=O)C1=CC=CS1 SBB038710 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.7 CC(=O)C1=CC=NN1 SBB086523 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.7 CC(=O)C1=CSC=C1 SBB048022 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.7 CC(=O)C1=NC=CS1 SBB085685 [0,0,0,0,0,0|0,0,0]=0 6 B8R1.7 CC(=O)N1C=CN=C1 SBB008874 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.7 CC(C)C1=NNC=C1 SBB026130 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.7 CC(C)N1C=CC=N1 SBB025134 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.7 CC(N)C1=CC=CO1 SBB017903 [0,0,0,0,0,0|2,1,1]=4 10 B8R1.7 CC(N)C1=CC=CS1 SBB028228 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.7 CN(C)C1=CC=CS1 SBB059107 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.7 N1C=CN=C1C(N)=O SBB059724 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.7 N1C=NC(N(=O)=O)=C1 SBB004318 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.7 N=C(N)N1C=CC=N1 SBB004101 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.7 NC(=O)C1=CC=CO1 SBB028188 [0,0,0,0,0,0|2,1,0]=3 16 B8R1.7 NC(=O)C1=CC=CS1 SBB028227 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.7 NC(=O)C1=CNC=N1 SBB055865 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.7 NC(=O)C1=NCCN1 SBB013487 [0,0,0,0,0,0|2,0,2]=4 19 B8R1.7 NC(=O)C1=NNC=C1 SBB027110 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.7 NC(=S)C1=CC=CO1 SBB055768 [0,0,0,0,0,0|2,2,0]=4 21 B8R1.7 NC(=S)C1=CC=CS1 SBB016501 [0,0,0,0,0,0|2,1,0]=3 22 B8R1.7 NC(=S)C1=NOC=N1 SBB014955 [0,0,0,0,0,0|3,1,0]=4 23 B8R1.7 O=C(Cl)C1=CC=CO1 SBB004224 [0,0,0,0,0,0|2,1,0]=3 24 B8R1.7 O=C(Cl)C1=CC=CS1 SBB004099 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.7 O=C(Cl)C1=CC=NO1 SBB005469 [0,0,0,0,0,0|3,1,0]=4 26 B8R1.7 O=C(Cl)C1=CSC=C1 SBB053641 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.7 O=C(Cl)C1=CSC=N1 SBB053647 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.7 O=C(Cl)C1=NC=CS1 SBB053646 [0,0,0,0,0,0|1,0,0]=1 29 B8R1.7 O=C(O)C1=CC=CN1 SBB004332 [0,0,0,0,0,0|2,0,1]=3 30 B8R1.7 O=C(O)C1=CC=CO1 SBB004324 [0,0,0,0,0,0|2,1,0]=3 31 B8R1.7 O=C(O)C1=CC=CS1 SBB004241 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.7 O=C(O)C1=CC=NO1 SBB004319 [0,0,0,0,0,0|3,1,0]=4 33 B8R1.7 O=C(O)C1=CC=NS1 SBB013118 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.7 O=C(O)C1=CN=CN1 SBB004323 [0,0,0,0,0,0|3,0,1]=4 35 B8R1.7 O=C(O)C1=CN=CO1 SBB053191 [0,0,0,0,0,0|3,1,0]=4 36 B8R1.7 O=C(O)C1=CN=CS1 SBB065748 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.7 O=C(O)C1=COC=C1 SBB004325 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.7 O=C(O)C1=COC=N1 SBB053171 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.7 O=C(O)C1=CSC=C1 SBB004240 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.7 O=C(O)C1=CSC=N1 SBB010166 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.7 O=C(O)C1=CSN=N1 SBB028456 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.7 O=C(O)C1=NC=CN1 SBB010014 [0,0,0,0,0,0|2,0,0]=2 43 B8R1.7 O=C(O)C1=NC=CS1 SBB053122 [0,0,0,0,0,0|1,0,0]=1 44 B8R1.7 O=C(O)C1=NNC=C1 SBB000005 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.7 O=C(O)C1=NNC=N1 SBB012750 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.7 O=C(O)C1=NOC=C1 SBB065956 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.7 O=C(O)C1=NON=C1 SBB002780 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.7 O=C(O)C1=NSN=C1 SBB013143 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.7 O=C(O)C1CC=CC1 SBB008010 [0,0,0,0,0,0|3,0,1]=4 50 B8R1.7 O=[N+]([O-])C1=CC=CS1 SBB040890 [0,0,0,0,0,0|3,0,0]=3 51 B8R1.7 O=[N+]([O-])C1=NC=CN1 SBB111827 [0,0,0,0,0,0|3,0,0]=3 52 B8R1.7 O=[N+]([O-])C1=NNC=C1 SBB000026 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.7 O=[N+]([O-])C1=NNC=N1 SBB001521 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.7 OB(O)C1=CC=CS1 SBB004243 [0,0,0,0,0,0|3,0,1]=4 55 B8R1.7 S=C(S)C1=CNC=N1 SBB066358 [0,0,0,0,0,0|3,1,0]=4 56 B7R1.1 C#CC1=CC=CS1 SBB008821 [1,0,0,0,0,0|1,0,2]=4 57 B7R1.1 C(=O)C1=CN=CN1 SBB004381 [1,0,0,0,0,0|2,0,1]=4 58 B7R1.1 C(=O)C1=CN=CN1 SBB004382 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.1 C(=O)C1=CSC=C1 SBB004320 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.1 CCN1C=CC=N1 SBB020346 [1,0,0,0,0,0|2,0,1]=4 61 B7R1.1 CSC1=CC=CS1 SBB085766 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.1 CSC1=NN=CN1 SBB059216 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 N#CC1=CC=CS1 SBB055745 [1,0,0,0,0,0|2,0,1]=4 64 B7R1.1 NCC1=CC=CS1 SBB004315 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.1 NCC1=NC=CN1 SBB013485 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.1 NCC1=NC=CN1 SBB052487 [1,0,0,0,0,0|2,0,1]=4 67 B7R1.1 NCC1=NC=CS1 SBB052479 [1,0,0,0,0,0|1,0,1]=3 68 B7R1.1 O=CC1=CC=CN1 SBB004389 [1,0,0,0,0,0|1,0,1]=3 69 B7R1.1 O=CC1=CC=CN1 SBB004390 [1,0,0,0,0,0|1,0,1]=3 70 B7R1.1 O=CC1=CC=CO1 SBB004386 [1,0,0,0,0,0|1,1,0]=3 71 B7R1.1 O=CC1=CC=CS1 SBB004321 [1,0,0,0,0,0|1,0,0]=2 72 B7R1.1 O=CC1=CN=CS1 SBB052293 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.1 O=CC1=CNC=C1 SBB052279 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.1 O=CC1=COC=C1 SBB004385 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.1 O=CC1=COC=N1 SBB052299 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.1 O=CC1=CSC=N1 SBB047478 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.1 O=CC1=CSN=N1 SBB052333 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.1 O=CC1=NC=CN1 SBB004383 [1,0,0,0,0,0|1,0,0]=2 79 B7R1.1 O=CC1=NC=CN1 SBB004384 [1,0,0,0,0,0|1,0,0]=2 80 B7R1.1 O=CC1=NC=CO1 SBB052295 [1,0,0,0,0,0|0,1,0]=2 81 B7R1.1 O=CC1=NC=CS1 SBB052286 [1,0,0,0,0,0|0,0,0]=1 82 B7R1.1 O=CC1=NNC=C1 SBB052310 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.1 OCC1=CC=CS1 SBB058563 [1,0,0,0,0,0|1,0,2]=4 84 B7R1.1 OCC1=NC=CN1 SBB054820 [1,0,0,0,0,0|1,0,2]=4 85 B7R1.1 OCC1=NC=CS1 SBB054805 [1,0,0,0,0,0|0,0,2]=3 86 B9R1.11 CCC(=O)C1=CC=CS1 SBB028613 [0,1,0,0,0,0|1,0,0]=2 87 B9R1.11 CCC(=O)C1=NC=CS1 SBB109622 [0,1,0,0,0,0|0,0,0]=1 88 B9R1.11 CCC(N)C1=CC=CS1 SBB018551 [0,1,0,0,0,0|2,0,1]=4 89 B9R1.11 CNC(=O)C1=CC=CS1 SBB086206 [0,1,0,0,0,0|1,0,0]=2 90 B9R1.11 CNC(=O)C1=NNC=C1 SBB073741 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.11 COC(=O)C1=CC=CN1 SBB013762 [0,1,0,0,0,0|1,0,1]=3 92 B9R1.11 COC(=O)C1=CC=CO1 SBB059585 [0,1,0,0,0,0|1,1,0]=3 93 B9R1.11 COC(=O)C1=CC=CS1 SBB058305 [0,1,0,0,0,0|1,0,0]=2 94 B9R1.11 COC(=O)C1=CC=NO1 SBB019121 [0,1,0,0,0,0|2,1,0]=4 95 B9R1.11 COC(=O)C1=CNC=N1 SBB053938 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.11 COC(=O)C1=CSC=C1 SBB066577 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.11 COC(=O)C1=CSC=N1 SBB066586 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.11 COC(=O)C1=NN=CN1 SBB025958 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.11 COC(=O)C1=NNC=C1 SBB000006 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.11 C\C(=N/O)C1=CC=CO1 SBB020245 [0,1,0,0,0,0|1,1,1]=4 101 B9R1.11 NNC(=O)C1=CC=CO1 SBB028222 [0,1,0,0,0,0|2,1,0]=4 102 B9R1.11 NNC(=O)C1=CC=CS1 SBB028266 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.11 N\C(=N/O)C1=CC=CS1 SBB086242 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.11 O=C(CBr)C1=CC=CO1 SBB010227 [0,1,0,0,0,0|1,1,0]=3 105 B9R1.11 O=C(CBr)C1=CC=CS1 SBB005904 [0,1,0,0,0,0|1,0,0]=2 106 B9R1.11 O=C(CCl)C1=CC=CS1 SBB051673 [0,1,0,0,0,0|1,0,0]=2 107 B9R1.11 O=CC(=O)C1=CC=CS1 SBB076918 [0,1,0,0,0,0|1,0,1]=3 108 B9R1.19 CC(C)(O)C1=CC=CS1 SBB073587 [0,1,0,0,0,0|1,0,2]=4 109 B9R1.19 CS(=O)(=O)C1=CC=CS1 SBB087640 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.19 C[Si](C)(C)C1=NC=CS1 SBB055798 [0,1,0,0,0,0|1,1,0]=3 111 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 SBB003729 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 SBB003730 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 SBB056953 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.19 O=S(=O)(Cl)C1=NC=CS1 SBB073345 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.35 CC(=O)C1=CC(Br)=CS1 SBB022006 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.35 CC(=O)C1=CC(C)=CS1 SBB066532 [0,1,0,0,0,0|1,0,0]=2 117 B9R1.35 CC(=O)C1=CC=C(Br)S1 SBB058398 [0,1,0,0,0,0|1,0,0]=2 118 B9R1.35 CC(=O)C1=CC=C(C)O1 SBB046935 [0,1,0,0,0,0|1,1,0]=3 119 B9R1.35 CC(=O)C1=CC=C(C)S1 SBB066533 [0,1,0,0,0,0|1,0,0]=2 120 B9R1.35 CC(=O)C1=CC=C(Cl)S1 SBB066389 [0,1,0,0,0,0|1,0,0]=2 121 B9R1.35 CC(=O)C1=CC=C(F)S1 SBB073293 [0,1,0,0,0,0|1,0,0]=2 122 B9R1.35 CC(=O)C1=CC=C(I)S1 SBB101059 [0,1,0,0,0,0|1,0,0]=2 123 B9R1.35 CC(=O)C1=CN=C(N)O1 SBB072544 [0,1,0,0,0,0|2,1,0]=4 124 B9R1.35 CC(=O)C1=CSC(C)=N1 SBB109134 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.35 CC(=O)C1=CSC(N)=N1 SBB066604 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.35 CC(=O)C1=NN(C)C=C1 SBB021677 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.35 CC(C)C1=NN=C(N)S1 SBB007572 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.35 CC(C)C1=NN=C(S)S1 SBB059578 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.35 CC(O)C1=CC=C(F)S1 SBB073298 [0,1,0,0,0,0|1,0,2]=4 130 B9R1.35 CC1=CC(C(=O)Cl)=NO1 SBB005468 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.35 CC1=CC(C(=O)O)=NN1 SBB019482 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.35 CC1=CC(C(=O)O)=NO1 SBB005437 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.35 CC1=CC(C(N)=O)=NO1 SBB085636 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.35 CC1=CC=C(C(=O)Cl)O1 SBB017922 [0,1,0,0,0,0|2,1,0]=4 135 B9R1.35 CC1=CC=C(C(=O)Cl)S1 SBB087488 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.35 CC1=CC=C(C(=O)O)O1 SBB005609 [0,1,0,0,0,0|2,1,0]=4 137 B9R1.35 CC1=CN=C(C(=O)O)S1 SBB053120 [0,1,0,0,0,0|1,0,0]=2 138 B9R1.35 CC1=CSC(C(=O)O)=C1 SBB017915 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.35 CC1=CSC(C(=O)O)=N1 SBB053102 [0,1,0,0,0,0|1,0,0]=2 140 B9R1.35 CC1=NC(C(=O)O)=CO1 SBB019457 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.35 CC1=NC(C(=O)O)=CS1 SBB053121 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.35 CC1=NC=C(C(=O)O)S1 SBB053124 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.35 CC1=NN(C(N)=O)C=C1 SBB006629 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.35 CC1=NNC(C(=O)O)=N1 SBB028126 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.35 CN1C=CC(C(=O)Cl)=N1 SBB020287 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.35 CN1C=CC(C(=O)O)=N1 SBB000008 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.35 CN1C=CC(C(N)=O)=N1 SBB073475 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.35 CN1C=NC(C(=O)O)=C1 SBB013834 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.35 N=C(N)C1=CC=C(Br)S1 SBB079038 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.35 NC(=O)C1=CC=C(Br)O1 SBB050272 [0,1,0,0,0,0|2,1,0]=4 151 B9R1.35 NC(=O)C1=CC=C(Br)S1 SBB050273 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.35 NC(=O)C1=CC=C(Cl)S1 SBB087552 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.35 NC(=O)C1=CC=C(F)S1 SBB116495 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.35 NC(=O)C1=NNC(N)=C1 SBB073347 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.35 NC1=NC(C(=O)O)=CO1 SBB053190 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.35 NC1=NC(C(=O)O)=CS1 SBB010300 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.35 NC1=NC=C(C(=O)O)S1 SBB066572 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.35 NC1=NNC(C(=O)O)=N1 SBB058397 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 SBB067945 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.35 O=C(Cl)C1=CC=C(F)S1 SBB116494 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.35 O=C(O)C1=CC(Br)=CS1 SBB020811 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.35 O=C(O)C1=CC=C(Br)O1 SBB003644 [0,1,0,0,0,0|2,1,0]=4 163 B9R1.35 O=C(O)C1=CC=C(Br)S1 SBB053058 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.35 O=C(O)C1=CC=C(F)S1 SBB023956 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.35 O=C(O)C1=CC=C(I)O1 SBB039298 [0,1,0,0,0,0|2,1,0]=4 166 B9R1.35 O=C(O)C1=CN=C(Br)S1 SBB053123 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.35 O=C(O)C1=CN=C(Cl)S1 SBB053137 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.35 O=C(O)C1=CNC(O)=N1 SBB017908 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.35 O=C(O)C1=CSC(Br)=N1 SBB053103 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.35 O=C(O)C1=NNC(O)=N1 SBB013694 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.35 O=C1CC(C(=O)O)=NN1 SBB053199 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.35 O=C1N=C(C(=O)O)NN1 SBB015008 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.35 O=C1NN=C(C(=O)O)N1 SBB046722 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.35 O=[N+]([O-])C1=CC=C(Br)S1 SBB057965 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.35 O=[N+]([O-])C1=CC=C(F)S1 SBB073590 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.35 OC(=O)C1=CC=C(C)S1 SBB004146 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.35 OC(=O)C1=CC=C(Cl)S1 SBB003937 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.35 OC(=O)C1=NC(N)=NN1 SBB057571 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.41 CC(=O)C1=C(Br)C=CS1 SBB066536 [0,1,0,0,0,0|1,0,0]=2 180 B9R1.41 CC(=O)C1=C(C)C=CS1 SBB066531 [0,1,0,0,0,0|1,0,0]=2 181 B9R1.41 CC(=O)C1=C(Cl)C=CS1 SBB087489 [0,1,0,0,0,0|1,0,0]=2 182 B9R1.41 CC(=O)C1=C(N)C=CS1 SBB028265 [0,1,0,0,0,0|1,0,0]=2 183 B9R1.41 CC(=O)C1=CC=CN1C SBB067044 [0,1,0,0,0,0|1,0,1]=3 184 B9R1.41 CC(=O)C1=CC=NN1C SBB021678 [0,1,0,0,0,0|2,0,1]=4 185 B9R1.41 CC(=O)C1=NC=NN1C SBB051537 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.41 CC(=O)C1=NON=C1C SBB012744 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.41 CC1=C(C(=O)Cl)SC=C1 SBB067938 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.41 CC1=C(C(=O)O)N=CO1 SBB053173 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.41 CC1=C(C(=O)O)N=CS1 SBB053128 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.41 CC1=C(C(=O)O)OC=C1 SBB004257 [0,1,0,0,0,0|2,1,0]=4 191 B9R1.41 CC1=C(C(=O)O)SC=C1 SBB086237 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.41 CC1=C(C(=O)O)SC=N1 SBB010167 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.41 CN1C=CC=C1C(=O)Cl SBB086304 [0,1,0,0,0,0|2,0,1]=4 194 B9R1.41 CN1C=CC=C1C(=O)O SBB004270 [0,1,0,0,0,0|2,0,1]=4 195 B9R1.41 CN1C=CN=C1C(=O)O SBB085637 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.41 CN1N=CN=C1C(=O)O SBB053419 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.41 NC(=O)C1=C(Br)C=CS1 SBB028419 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.41 NC(=O)C1=C(Cl)C=CS1 SBB087550 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.41 NC(=O)C1=C(N)C=CS1 SBB028267 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.41 NC(=O)C1=C(N)NC=N1 SBB085640 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.41 NC(=O)C1=NNC=C1I SBB073958 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.41 NC(=O)C1=NSC=C1N SBB014179 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.41 NC1=CNN=C1C(=O)O SBB051546 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.41 NC1=CSN=C1C(=O)O SBB013478 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.41 O=C(Cl)C1=NNC=C1Br SBB020731 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.41 O=C(Cl)C1=NNC=C1Cl SBB020697 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.41 O=C(O)C1=C(Br)C=CS1 SBB053051 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.41 O=C(O)C1=C(Br)SC=N1 SBB067595 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.41 O=C(O)C1=C(Cl)C=CS1 SBB003936 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.41 O=C(O)C1=C(O)C=CS1 SBB053061 [0,1,0,0,0,0|2,0,0]=3 211 B9R1.41 O=C(O)C1=NNC=C1Br SBB000292 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.41 O=C(O)C1=NNC=C1Cl SBB000096 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.41 O=C(O)C1=NNC=C1I SBB000762 [0,1,0,0,0,0|3,0,0]=4 214 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [0,0,1,0,0,0|3,0,0]=4 215 B9R1.6 C=C(C)C1=CC=CC=C1 SBB060154 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.6 CC(=O)C1=CC=CC=C1 SBB040241 [0,0,0,0,0,1|2,0,0]=3 217 B9R1.6 CC(=O)C1=CC=NC=C1 SBB040256 [0,0,0,0,0,1|2,0,0]=3 218 B9R1.6 CC(=O)C1=CN=CC=C1 SBB040255 [0,0,0,0,0,1|1,0,0]=2 219 B9R1.6 CC(=O)C1=CN=CC=N1 SBB006738 [0,0,0,0,0,1|1,0,0]=2 220 B9R1.6 CC(=O)C1=NC=CC=C1 SBB058824 [0,0,0,0,0,1|1,0,0]=2 221 B9R1.6 CC(=O)C1=NC=CC=N1 SBB055904 [0,0,0,0,0,1|1,0,0]=2 222 B9R1.6 CC(N)C1=CN=CC=C1 SBB027288 [0,0,0,0,0,1|2,0,1]=4 223 B9R1.6 CC(N)C1=NC=CC=C1 SBB018707 [0,0,0,0,0,1|2,0,1]=4 224 B9R1.6 N=C(N)C1=CC=CC=N1 SBB087246 [0,0,0,0,0,1|3,0,0]=4 225 B9R1.6 N=C(N)C1=NC=CN=C1 SBB055879 [0,0,0,0,0,1|3,0,0]=4 226 B9R1.6 NC(=O)C1=CC=CC=C1 SBB058198 [0,0,0,0,0,1|3,0,0]=4 227 B9R1.6 NC(=O)C1=CC=CC=N1 SBB008128 [0,0,0,0,0,1|2,0,0]=3 228 B9R1.6 NC(=O)C1=CC=CN=C1 SBB004283 [0,0,0,0,0,1|2,0,0]=3 229 B9R1.6 NC(=O)C1=CC=CN=C1 SBB055585 [0,0,0,0,0,1|2,0,0]=3 230 B9R1.6 NC(=O)C1=CN=CC=N1 SBB004276 [0,0,0,0,0,1|2,0,0]=3 231 B9R1.6 NC(=S)C1=CC=CC=N1 SBB017638 [0,0,0,0,0,1|2,1,0]=4 232 B9R1.6 NC(=S)C1=CN=CC=C1 SBB028259 [0,0,0,0,0,1|2,1,0]=4 233 B9R1.6 NC(=S)C1=CN=CC=N1 SBB028262 [0,0,0,0,0,1|2,1,0]=4 234 B9R1.6 O=C(Cl)C1=CC=CC=C1 SBB059783 [0,0,0,0,0,1|3,0,0]=4 235 B9R1.6 O=C(Cl)C1=CC=CN=C1 SBB005806 [0,0,0,0,0,1|2,0,0]=3 236 B9R1.6 O=C(Cl)C1=CC=NC=C1 SBB000083 [0,0,0,0,0,1|3,0,0]=4 237 B9R1.6 O=C(Cl)C1=CN=CC=N1 SBB010290 [0,0,0,0,0,1|2,0,0]=3 238 B9R1.6 O=C(Cl)C1=NC=CC=C1 SBB053631 [0,0,0,0,0,1|2,0,0]=3 239 B9R1.6 O=C(F)C1=CC=CC=C1 SBB085547 [0,0,0,0,0,1|3,0,0]=4 240 B9R1.6 O=C(O)C1=CC=CC=C1 SBB040515 [0,0,0,0,0,1|3,0,0]=4 241 B9R1.6 O=C(O)C1=CC=CN=C1 SBB004279 [0,0,0,0,0,1|2,0,0]=3 242 B9R1.6 O=C(O)C1=CC=CN=N1 SBB053230 [0,0,0,0,0,1|2,0,0]=3 243 B9R1.6 O=C(O)C1=CC=NC=C1 SBB004278 [0,0,0,0,0,1|3,0,0]=4 244 B9R1.6 O=C(O)C1=CC=NC=N1 SBB018520 [0,0,0,0,0,1|2,0,0]=3 245 B9R1.6 O=C(O)C1=CC=NN=C1 SBB053242 [0,0,0,0,0,1|3,0,0]=4 246 B9R1.6 O=C(O)C1=CN=CN=C1 SBB053218 [0,0,0,0,0,1|3,0,0]=4 247 B9R1.6 O=C(O)C1=NC=CC=C1 SBB004277 [0,0,0,0,0,1|2,0,0]=3 248 B9R1.6 O=C(O)C1=NC=CC=N1 SBB005602 [0,0,0,0,0,1|2,0,0]=3 249 B9R1.6 O=C(O)C1=NC=CN=C1 SBB000051 [0,0,0,0,0,1|2,0,0]=3 250 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 SBB065520 [0,0,0,0,0,1|3,0,0]=4 251 B9R1.13 CC(=O)CN1C=CC=N1 SBB002740 [0,0,0,0,0,1|2,0,0]=3 252 B9R1.13 CC(=O)CN1C=NC=N1 SBB018745 [0,0,0,0,0,1|3,0,0]=4 253 B9R1.13 CC(=O)CN1N=CN=N1 SBB002632 [0,0,0,0,0,1|3,0,0]=4 254 B9R1.13 CC(=O)NC1=NC=CS1 SBB012345 [0,0,0,0,0,1|0,0,0]=1 255 B9R1.13 CC(C)CC1=NC=CS1 SBB086212 [0,0,0,0,0,1|1,0,1]=3 256 B9R1.13 CC(N)CC1=CC=CS1 SBB010287 [0,0,0,0,0,1|2,0,1]=4 257 B9R1.13 NC(=O)CC1=NC=NN1 SBB051627 [0,0,0,0,0,1|3,0,0]=4 258 B9R1.13 O=C(Cl)CC1=CC=CS1 SBB006705 [0,0,0,0,0,1|2,0,0]=3 259 B9R1.13 O=C(O)CC1=CSC=N1 SBB018908 [0,0,0,0,0,1|3,0,0]=4 260 B9R1.13 O=C(O)CN1C=CC=N1 SBB010248 [0,0,0,0,0,1|3,0,0]=4 261 B9R1.13 OC(=O)CC1=CC=CS1 SBB004145 [0,0,0,0,0,1|2,0,0]=3 262 B9R1.13 OC(=O)CC1=CNC=N1 SBB005448 [0,0,0,0,0,1|3,0,0]=4 263 B6R0.4 C=CCCC(C)=O SBB009089 [1,0,1,0,0,0|1,0,1]=4 264 B6R0.3 CC(=O)\C(C)=N/O SBB061682 [1,0,1,0,0,0|1,0,1]=4 265 B6R1.2 BrC1=CC=CS1 SBB003931 [2,0,0,0,0,0|2,0,0]=4 266 B6R1.2 BrC1=NC=CN1 SBB054452 [2,0,0,0,0,0|2,0,0]=4 267 B6R1.2 BrC1=NC=CS1 SBB003918 [2,0,0,0,0,0|1,0,0]=3 268 B6R1.2 BrC1=NN=CS1 SBB054616 [2,0,0,0,0,0|2,0,0]=4 269 B6R1.2 CC1=CN=CS1 SBB055804 [2,0,0,0,0,0|2,0,0]=4 270 B6R1.2 CC1=NC=CN1 SBB040944 [2,0,0,0,0,0|1,0,0]=3 271 B6R1.2 CC1=NN=CN1 SBB025943 [2,0,0,0,0,0|2,0,0]=4 272 B6R1.2 CC1=NNC=C1 SBB004404 [2,0,0,0,0,0|2,0,0]=4 273 B6R1.2 CN1C=CC=N1 SBB013729 [2,0,0,0,0,0|2,0,0]=4 274 B6R1.2 ClC1=NC=CS1 SBB054425 [2,0,0,0,0,0|1,0,0]=3 275 B6R1.2 FC1=CC=CS1 SBB073288 [2,0,0,0,0,0|2,0,0]=4 276 B6R1.2 IC1=CC=CS1 SBB054409 [2,0,0,0,0,0|2,0,0]=4 277 B6R1.2 IC1=NC=CN1 SBB054450 [2,0,0,0,0,0|2,0,0]=4 278 B6R1.2 NC1=NC=CN1 SBB001015 [2,0,0,0,0,0|2,0,0]=4 279 B6R1.2 NC1=NC=CN1 SBB051944 [2,0,0,0,0,0|2,0,0]=4 280 B6R1.2 NC1=NC=CN1 SBB051945 [2,0,0,0,0,0|2,0,0]=4 281 B6R1.2 NC1=NC=CO1 SBB019333 [2,0,0,0,0,0|1,1,0]=4 282 B6R1.2 NC1=NC=CS1 SBB000070 [2,0,0,0,0,0|1,0,0]=3 283 B6R1.2 NC1=NC=CS1 SBB028135 [2,0,0,0,0,0|1,0,0]=3 284 B6R1.2 NC1=NC=NS1 SBB014839 [2,0,0,0,0,0|2,0,0]=4 285 B6R1.2 NC1=NN=CS1 SBB010052 [2,0,0,0,0,0|2,0,0]=4 286 B6R1.2 O=C1NC=CN1 SBB071638 [2,0,0,0,0,0|1,0,1]=4 287 B6R1.2 SC1=CC=CS1 SBB059094 [2,0,0,0,0,0|1,1,0]=4 288 B6R1.2 SC1=NC=CN1 SBB004368 [2,0,0,0,0,0|1,1,0]=4 289 B6R1.2 SC1=NC=CS1 SBB066357 [2,0,0,0,0,0|0,1,0]=3 290 B6R1.2 SC1=NN=CS1 SBB041074 [2,0,0,0,0,0|1,1,0]=4 291 B8R0.28 CC(=O)\C=C\C=C(C)C SBB008066 [0,1,1,0,0,0|2,0,0]=4 292 B8R1.1 C(=O)C1=CC=C(C)S1 SBB004249 [1,1,0,0,0,0|1,0,0]=3 293 B8R1.1 C(=O)C1=CC=C(Cl)O1 SBB004223 [1,1,0,0,0,0|1,1,0]=4 294 B8R1.1 C(=O)C1=CC=C(Cl)S1 SBB004100 [1,1,0,0,0,0|1,0,0]=3 295 B8R1.1 C(=O)C1=CC=C(F)S1 SBB027017 [1,1,0,0,0,0|1,0,0]=3 296 B8R1.1 CC1=CC(C=O)=NO1 SBB052294 [1,1,0,0,0,0|2,0,0]=4 297 B8R1.1 CC1=CC=C(C=O)O1 SBB040222 [1,1,0,0,0,0|1,1,0]=4 298 B8R1.1 CC1=CN=C(C=O)S1 SBB052287 [1,1,0,0,0,0|0,0,0]=2 299 B8R1.1 CC1=CN=C(CO)S1 SBB054807 [1,1,0,0,0,0|0,0,2]=4 300 B8R1.1 CC1=CSC(CO)=N1 SBB054809 [1,1,0,0,0,0|0,0,2]=4 301 B8R1.1 CC1=NC(C=O)=CN1 SBB052314 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.1 CC1=NC(C=O)=CS1 SBB085686 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.1 CC1=NC=C(C=O)S1 SBB018895 [1,1,0,0,0,0|2,0,0]=4 304 B8R1.1 CCC1=CC(Br)=CS1 SBB073295 [1,1,0,0,0,0|1,0,1]=4 305 B8R1.1 CCC1=NN=C(N)S1 SBB028237 [1,1,0,0,0,0|1,0,1]=4 306 B8R1.1 CN1C=CC(C=O)=N1 SBB020577 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.1 CNC1=NN=C(S)S1 SBB010147 [1,1,0,0,0,0|2,0,0]=4 308 B8R1.1 CSC1=NC(N)=NS1 SBB005495 [1,1,0,0,0,0|2,0,0]=4 309 B8R1.1 CSC1=NC(O)=NS1 SBB059105 [1,1,0,0,0,0|2,0,0]=4 310 B8R1.1 CSC1=NN=C(S)S1 SBB087838 [1,1,0,0,0,0|2,0,0]=4 311 B8R1.1 N1C=C(C)N=C1CC SBB004334 [1,1,0,0,0,0|1,0,1]=4 312 B8R1.1 NC1=NC=C(C=O)S1 SBB049043 [1,1,0,0,0,0|2,0,0]=4 313 B8R1.1 O=CC1=CC(Br)=CO1 SBB069420 [1,1,0,0,0,0|1,1,0]=4 314 B8R1.1 O=CC1=CC(Br)=CS1 SBB000293 [1,1,0,0,0,0|1,0,0]=3 315 B8R1.1 O=CC1=CC=C(Br)O1 SBB047477 [1,1,0,0,0,0|1,1,0]=4 316 B8R1.1 O=CC1=CC=C(Br)S1 SBB000294 [1,1,0,0,0,0|1,0,0]=3 317 B8R1.1 O=CC1=CC=C(I)O1 SBB039297 [1,1,0,0,0,0|1,1,0]=4 318 B8R1.1 O=CC1=CN=C(Cl)S1 SBB086559 [1,1,0,0,0,0|2,0,0]=4 319 B8R1.1 O=CC1=CSC(Br)=N1 SBB091356 [1,1,0,0,0,0|2,0,0]=4 320 B8R1.1 O=CC1=NC(Br)=CS1 SBB066537 [1,1,0,0,0,0|0,0,0]=2 321 B8R1.8 CCCC1=CC=CS1 SBB073407 [1,1,0,0,0,0|1,0,1]=4 322 B8R1.8 CCCC1=NC=CS1 SBB055797 [1,1,0,0,0,0|0,0,1]=3 323 B8R1.8 NCCC1=CC=CS1 SBB013250 [1,1,0,0,0,0|1,0,1]=4 324 B8R1.8 NCCC1=CC=CS1 SBB013650 [1,1,0,0,0,0|1,0,1]=4 325 B8R1.8 NCCC1=NC=CS1 SBB046047 [1,1,0,0,0,0|0,0,1]=3 326 B8R1.8 O=C=NC1=CC=CS1 SBB054891 [1,1,0,0,0,0|1,0,1]=4 327 B8R1.8 OCCC1=CC=CS1 SBB062831 [1,1,0,0,0,0|1,0,1]=4 328 B8R1.11 C(=O)C1=NC=CN1C SBB004338 [1,1,0,0,0,0|1,0,0]=3 329 B8R1.11 CC1=C(C=O)SC=C1 SBB040199 [1,1,0,0,0,0|1,0,0]=3 330 B8R1.11 CC1=C(C=O)SC=N1 SBB052288 [1,1,0,0,0,0|2,0,0]=4 331 B8R1.11 CN1C=CC=C1C=O SBB040239 [1,1,0,0,0,0|1,0,1]=4 332 B8R1.11 O=CC1=C(Br)C=CO1 SBB067497 [1,1,0,0,0,0|1,1,0]=4 333 B8R1.11 O=CC1=C(Br)C=CS1 SBB052262 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 SBB040244 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 SBB055637 [0,1,0,0,0,1|1,0,0]=3 336 B10R1.13 CC(=O)C1=CC=C(C)C=C1 SBB058845 [0,1,0,0,0,1|2,0,0]=4 337 B10R1.13 CC(=O)C1=CC=C(C)N=C1 SBB055610 [0,1,0,0,0,1|1,0,0]=3 338 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 SBB040243 [0,1,0,0,0,1|2,0,0]=4 339 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 SBB055593 [0,1,0,0,0,1|1,0,0]=3 340 B10R1.13 CC(=O)C1=CC=C(F)C=C1 SBB040257 [0,1,0,0,0,1|2,0,0]=4 341 B10R1.13 CC(=O)C1=CC=C(I)C=C1 SBB058956 [0,1,0,0,0,1|2,0,0]=4 342 B10R1.13 CC(=O)C1=CC=C(N)C=C1 SBB040278 [0,1,0,0,0,1|2,0,0]=4 343 B10R1.13 CC(=O)C1=CC=C(O)C=C1 SBB040251 [0,1,0,0,0,1|2,0,0]=4 344 B10R1.13 CC1=CC=C(C(=O)O)C=N1 SBB006666 [0,1,0,0,0,1|2,0,0]=4 345 B10R1.13 CC1=CN=C(C(=O)O)C=C1 SBB052876 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SBB006622 [0,1,0,0,0,1|2,0,0]=4 347 B10R1.13 CC1=NC=C(C(N)=O)C=C1 SBB028251 [0,1,0,0,0,1|2,0,0]=4 348 B10R1.13 NC(=O)C1=CC=C(Cl)N=N1 SBB055933 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.13 NC(=O)C1=CC=C(N)N=C1 SBB051875 [0,1,0,0,0,1|2,0,0]=4 350 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 SBB028323 [0,1,0,0,0,1|2,0,0]=4 351 B10R1.13 NC1=CC=C(C(=O)O)C=N1 SBB004186 [0,1,0,0,0,1|2,0,0]=4 352 B10R1.13 NC1=CC=C(C(=O)O)N=C1 SBB028257 [0,1,0,0,0,1|2,0,0]=4 353 B10R1.13 NC1=CC=C(C(=O)O)N=N1 SBB053237 [0,1,0,0,0,1|2,0,0]=4 354 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 SBB053629 [0,1,0,0,0,1|2,0,0]=4 355 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 SBB087392 [0,1,0,0,0,1|2,0,0]=4 356 B10R1.13 O=C(Cl)C1=NC=C(Br)C=C1 SBB069729 [0,1,0,0,0,1|2,0,0]=4 357 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 SBB028529 [0,1,0,0,0,1|2,0,0]=4 358 B10R1.13 O=C(O)C1=CC=C(Cl)C=N1 SBB062819 [0,1,0,0,0,1|2,0,0]=4 359 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 SBB004004 [0,1,0,0,0,1|2,0,0]=4 360 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 SBB053231 [0,1,0,0,0,1|2,0,0]=4 361 B10R1.13 O=C(O)C1=CC=C(F)N=C1 SBB065228 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.13 O=C(O)C1=CC=C(O)N=C1 SBB004181 [0,1,0,0,0,1|2,0,0]=4 363 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 SBB028530 [0,1,0,0,0,1|2,0,0]=4 364 B10R1.13 O=C(O)C1=CN=C(S)C=C1 SBB004027 [0,1,0,0,0,1|2,0,0]=4 365 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 SBB065695 [0,1,0,0,0,1|2,0,0]=4 366 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 SBB053217 [0,1,0,0,0,1|2,0,0]=4 367 B10R1.13 O=C(O)C1=NC=C(F)C=C1 SBB065401 [0,1,0,0,0,1|2,0,0]=4 368 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SBB052998 [0,1,0,0,0,1|2,0,0]=4 369 B10R1.13 O=C(O)C1=NC=C(O)N=C1 SBB047806 [0,1,0,0,0,1|2,0,0]=4 370 B10R1.13 O=C1C=CC(C(=O)O)=NN1 SBB007399 [0,1,0,0,0,1|2,0,0]=4 371 B10R1.13 O=C1C=CC(C(=O)O)=NN1 SBB053229 [0,1,0,0,0,1|2,0,0]=4 372 B10R1.15 CCC(=O)C1=CC=CC=C1 SBB058853 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.15 CCC(=O)C1=CC=NC=C1 SBB068976 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.15 CNC(=O)C1=CC=CC=C1 SBB051421 [0,1,0,0,0,1|2,0,0]=4 375 B10R1.15 COC(=O)C1=CC=CC=C1 SBB058212 [0,1,0,0,0,1|2,0,0]=4 376 B10R1.15 COC(=O)C1=CC=CC=N1 SBB008127 [0,1,0,0,0,1|1,0,0]=3 377 B10R1.15 COC(=O)C1=CC=NC=C1 SBB058848 [0,1,0,0,0,1|2,0,0]=4 378 B10R1.15 COC(=O)C1=CN=CC=C1 SBB040924 [0,1,0,0,0,1|1,0,0]=3 379 B10R1.15 COC(=O)C1=NC=CC=N1 SBB053945 [0,1,0,0,0,1|1,0,0]=3 380 B10R1.15 COC(=O)C1=NC=CN=C1 SBB053939 [0,1,0,0,0,1|1,0,0]=3 381 B10R1.15 COC(=O)C1=NC=NC=C1 SBB053949 [0,1,0,0,0,1|1,0,0]=3 382 B10R1.15 C\C(=N/O)C1=CN=CC=C1 SBB085929 [0,1,0,0,0,1|1,0,1]=4 383 B10R1.15 C\C(=N\O)C1=CC=CC=N1 SBB085936 [0,1,0,0,0,1|1,0,1]=4 384 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB063139 [0,1,0,0,0,1|2,0,0]=4 385 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB066026 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.15 NNC(=O)C1=CC=CC=N1 SBB027572 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.15 NNC(=O)C1=CC=CN=C1 SBB028255 [0,1,0,0,0,1|2,0,0]=4 388 B10R1.15 NNC(=O)C1=CN=CC=N1 SBB005150 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.15 NNC(=O)C1=NC=CC=N1 SBB055900 [0,1,0,0,0,1|2,0,0]=4 390 B10R1.15 O=C(CBr)C1=CC=NC=C1 SBB051672 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.15 O=C(CBr)C1=CN=CC=C1 SBB005582 [0,1,0,0,0,1|1,0,0]=3 392 B10R1.15 O=C(CBr)C1=NC=CC=C1 SBB005581 [0,1,0,0,0,1|1,0,0]=3 393 B10R1.15 O=C(CO)C1=CC=CC=C1 SBB085926 [0,1,0,0,0,1|2,0,0]=4 394 B10R1.15 [NH3+]CC(=O)C1=CC=CC=C1 SBB061439 [0,1,0,0,0,1|2,0,0]=4 395 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 SBB040857 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SBB005785 [0,1,0,0,0,1|1,0,0]=3 397 B10R1.61 CC(=O)C1=C(N)C=CC=C1 SBB058825 [0,1,0,0,0,1|2,0,0]=4 398 B10R1.61 CC(=O)C1=CC=CC=C1C SBB063140 [0,1,0,0,0,1|2,0,0]=4 399 B10R1.61 CC(=O)C1=CC=CC=C1Cl SBB040259 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.61 CC(=O)C1=CC=CC=C1F SBB058458 [0,1,0,0,0,1|2,0,0]=4 401 B10R1.61 CC(=O)C1=CC=CC=C1I SBB064803 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.61 CC(=O)C1=CC=CC=C1O SBB040261 [0,1,0,0,0,1|2,0,0]=4 403 B10R1.61 CC(=O)C1=CC=CN=C1F SBB065563 [0,1,0,0,0,1|1,0,0]=3 404 B10R1.61 CC(=O)C1=CC=NC=C1N SBB051881 [0,1,0,0,0,1|2,0,0]=4 405 B10R1.61 CC(=O)C1=CN=CC=C1C SBB055670 [0,1,0,0,0,1|1,0,0]=3 406 B10R1.61 CC1=C(C(=O)Cl)C=NC=C1 SBB053632 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SBB018540 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.61 CC1=CC=CN=C1C(=O)O SBB052853 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.61 CC1=CC=CN=C1C(N)=O SBB055568 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.61 CC1=CC=NC=C1C(=O)O SBB028489 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.61 CC1=NC=CC=C1C(=O)Cl SBB053635 [0,1,0,0,0,1|2,0,0]=4 412 B10R1.61 CC1=NC=CC=C1C(=O)O SBB004196 [0,1,0,0,0,1|2,0,0]=4 413 B10R1.61 CC1=NC=CC=C1C(N)=O SBB055551 [0,1,0,0,0,1|2,0,0]=4 414 B10R1.61 NC(=O)C1=C(Cl)N=CC=C1 SBB004012 [0,1,0,0,0,1|2,0,0]=4 415 B10R1.61 NC(=O)C1=C(O)C=CC=N1 SBB058310 [0,1,0,0,0,1|2,0,0]=4 416 B10R1.61 NC(=O)C1=C(O)N=CC=N1 SBB086051 [0,1,0,0,0,1|2,0,0]=4 417 B10R1.61 NC(=O)C1=CC=CN=C1N SBB055553 [0,1,0,0,0,1|2,0,0]=4 418 B10R1.61 NC(=O)C1=CN=CC=C1Cl SBB055570 [0,1,0,0,0,1|2,0,0]=4 419 B10R1.61 NC1=CC=NC=C1C(=O)O SBB028256 [0,1,0,0,0,1|2,0,0]=4 420 B10R1.61 NC1=NC=CC=C1C(=O)O SBB004188 [0,1,0,0,0,1|2,0,0]=4 421 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl SBB067928 [0,1,0,0,0,1|2,0,0]=4 422 B10R1.61 O=C(Cl)C1=CN=CC=C1Cl SBB053634 [0,1,0,0,0,1|2,0,0]=4 423 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 SBB028474 [0,1,0,0,0,1|2,0,0]=4 424 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 SBB028475 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.61 O=C(O)C1=C(O)C=CC=N1 SBB006727 [0,1,0,0,0,1|2,0,0]=4 426 B10R1.61 O=C(O)C1=CC=CN=C1Br SBB038991 [0,1,0,0,0,1|2,0,0]=4 427 B10R1.61 O=C(O)C1=CC=CN=C1Cl SBB004002 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.61 O=C(O)C1=CC=CN=C1F SBB004159 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.61 O=C(O)C1=CC=CN=C1O SBB004180 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.61 O=C(O)C1=CC=CN=C1S SBB000123 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.61 O=C(O)C1=CN=CC=C1O SBB052972 [0,1,0,0,0,1|2,0,0]=4 432 B10R1.61 O=C(O)C1=NC=CC=C1Br SBB053041 [0,1,0,0,0,1|2,0,0]=4 433 B10R1.61 O=C(O)C1=NC=CC=C1F SBB052966 [0,1,0,0,0,1|2,0,0]=4 434 B10R1.61 O=C(O)C1=NC=CN=C1O SBB019213 [0,1,0,0,0,1|2,0,0]=4 435 B10R1.61 OC(=O)C1=C(N)N=CC=N1 SBB004179 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 SBB040258 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 SBB055121 [0,1,0,0,0,1|2,0,0]=4 438 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 SBB055594 [0,1,0,0,0,1|2,0,0]=4 439 B10R1.113 CC(=O)C1=CC=CC(C)=C1 SBB061772 [0,1,0,0,0,1|2,0,0]=4 440 B10R1.113 CC(=O)C1=CC=CC(C)=N1 SBB068974 [0,1,0,0,0,1|1,0,0]=3 441 B10R1.113 CC(=O)C1=CC=CC(F)=C1 SBB063564 [0,1,0,0,0,1|2,0,0]=4 442 B10R1.113 CC(=O)C1=CC=CC(N)=C1 SBB058713 [0,1,0,0,0,1|2,0,0]=4 443 B10R1.113 CC(=O)C1=CC=CC(O)=C1 SBB040280 [0,1,0,0,0,1|2,0,0]=4 444 B10R1.113 CC(=O)C1=CN=CC(Br)=C1 SBB054319 [0,1,0,0,0,1|1,0,0]=3 445 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 SBB065468 [0,1,0,0,0,1|1,0,0]=3 446 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 SBB055630 [0,1,0,0,0,1|1,0,0]=3 447 B10R1.113 CC1=CC(C(=O)O)=CN=C1 SBB028459 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.113 CC1=CC(C(=O)O)=NC=C1 SBB053015 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.113 CC1=CC(C(N)=O)=CN=C1 SBB069884 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.113 CC1=CC(C(N)=O)=NC=C1 SBB055569 [0,1,0,0,0,1|2,0,0]=4 451 B10R1.113 CC1=NC(C(=O)O)=CC=C1 SBB028458 [0,1,0,0,0,1|2,0,0]=4 452 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 SBB016898 [0,1,0,0,0,1|2,0,0]=4 453 B10R1.113 NC(=O)C1=NC(Br)=CC=C1 SBB070391 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.113 NC(=O)C1=NC(F)=CC=C1 SBB086125 [0,1,0,0,0,1|2,0,0]=4 455 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 SBB055711 [0,1,0,0,0,1|2,0,0]=4 456 B10R1.113 NC1=CC(C(=O)O)=NC=C1 SBB019433 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.113 NC1=CC=CC(C(=O)O)=N1 SBB053020 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.113 NC1=CN=CC(C(=O)O)=C1 SBB016179 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.113 O=C(Cl)C1=CC(Br)=CN=C1 SBB053636 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.113 O=C(Cl)C1=NC(Cl)=CC=C1 SBB053638 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 SBB053627 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 SBB003524 [0,1,0,0,0,1|2,0,0]=4 463 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 SBB027660 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.113 O=C(O)C1=CC(F)=CN=C1 SBB053038 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.113 O=C(O)C1=CC(I)=CC=N1 SBB042150 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 SBB003525 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.113 O=C(O)C1=CC=CC(F)=N1 SBB028461 [0,1,0,0,0,1|2,0,0]=4 468 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 SBB028476 [0,1,0,0,0,1|2,0,0]=4 469 B10R1.113 O=C(O)C1=CN=CC(O)=C1 SBB010273 [0,1,0,0,0,1|2,0,0]=4 470 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 SBB028473 [0,1,0,0,0,1|2,0,0]=4 471 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 SBB066005 [0,1,0,0,0,1|2,0,0]=4 472 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 SBB065688 [0,1,0,0,0,1|2,0,0]=4 473 B10R1.113 O=C(O)C1=NC(O)=CC=C1 SBB052861 [0,1,0,0,0,1|2,0,0]=4 474 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 SBB016176 [0,1,0,0,0,1|2,0,0]=4 475 B10R1.113 O=C(O)C1=NC=CC(O)=C1 SBB016174 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.113 O=C(O)C1=NC=NC(O)=C1 SBB069034 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.23 NC(C(=O)O)C1=CC=CS1 SBB028327 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.23 O=C(O)C(=O)C1=CC=CS1 SBB087149 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.27 CCC(=O)CC1=CC=CO1 SBB014951 [0,1,0,0,0,1|1,1,0]=4 480 B10R1.27 COC(=O)CC1=CC=CS1 SBB061973 [0,1,0,0,0,1|1,0,0]=3 481 B10R1.27 COC(=O)CN1C=CC=N1 SBB024150 [0,1,0,0,0,1|2,0,0]=4 482 B10R1.27 COC(=O)NC1=NC=CS1 SBB003995 [0,1,0,0,0,1|0,0,0]=2 483 B10R1.27 C\C(C=O)=C\C1=CC=CO1 SBB040268 [0,1,0,0,0,1|1,1,0]=4 484 B10R1.27 NNC(=O)CC1=CC=CS1 SBB021015 [0,1,0,0,0,1|2,0,0]=4 485 B10R1.27 O=C(CCl)NC1=NC=CS1 SBB000195 [0,1,0,0,0,1|0,0,0]=2 486 B10R1.27 O=C(CCl)NC1=NC=CS1 SBB062607 [0,1,0,0,0,1|0,0,0]=2 487 B10R1.27 O=C(CCl)NC1=NN=CS1 SBB007072 [0,1,0,0,0,1|1,0,0]=3 488 B10R1.27 O=C(CCl)NC1=NNC=N1 SBB300476 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.54 CC(=O)CN1C=C(Br)C=N1 SBB022356 [0,1,0,0,0,1|2,0,0]=4 490 B10R1.54 CC(=O)CN1C=C(C)C=N1 SBB026107 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.54 CC(=O)CN1C=CC(C)=N1 SBB022223 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.54 CC(=O)NC1=NC(C)=CS1 SBB000125 [0,1,0,0,0,1|0,0,0]=2 493 B10R1.54 CC(=O)NC1=NC=C(Br)S1 SBB096082 [0,1,0,0,0,1|0,0,0]=2 494 B10R1.54 CC(=O)NC1=NC=C(Cl)S1 SBB071470 [0,1,0,0,0,1|0,0,0]=2 495 B10R1.54 CC(=O)NC1=NN=C(C)S1 SBB113291 [0,1,0,0,0,1|1,0,0]=3 496 B10R1.54 CC(=O)NC1=NOC(C)=C1 SBB113294 [0,1,0,0,0,1|2,0,0]=4 497 B10R1.54 CC(=O)NC1=NSC(N)=N1 SBB010400 [0,1,0,0,0,1|2,0,0]=4 498 B10R1.54 CC1=CSC(NC(=N)N)=N1 SBB055803 [0,1,0,0,0,1|2,0,0]=4 499 B10R1.54 NC(=O)CC1=NC(O)=CS1 SBB059525 [0,1,0,0,0,1|1,0,0]=3 500 B10R1.54 NC1=NN=C(CC(=O)O)S1 SBB010409 [0,1,0,0,0,1|2,0,0]=4 501 B10R1.54 O=C(O)CC1=NC(=O)CS1 SBB053148 [0,1,0,0,0,1|1,0,1]=4 502 B10R1.64 CC(=O)CN1N=CC=C1C SBB022354 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.11 CCOC(=O)C1=CC=CN1 SBB053894 [0,2,0,0,0,0|1,0,1]=4 504 B10R1.11 CCOC(=O)C1=CC=CO1 SBB067087 [0,2,0,0,0,0|1,1,0]=4 505 B10R1.11 CCOC(=O)C1=CC=CS1 SBB058448 [0,2,0,0,0,0|1,0,0]=3 506 B10R1.11 CCOC(=O)C1=COC=N1 SBB053931 [0,2,0,0,0,0|2,0,0]=4 507 B10R1.11 CCOC(=O)C1=CSC=N1 SBB018687 [0,2,0,0,0,0|2,0,0]=4 508 B10R1.11 CCOC(=O)C1=NOC=N1 SBB050948 [0,2,0,0,0,0|2,0,0]=4 509 B10R1.11 N#CCC(=O)C1=CC=CO1 SBB085884 [0,2,0,0,0,0|1,1,0]=4 510 B10R1.11 N#CCC(=O)C1=CC=CS1 SBB005814 [0,2,0,0,0,0|1,0,0]=3 511 B10R1.14 CC1=CC=C(C(=O)NN)S1 SBB017661 [0,2,0,0,0,0|2,0,0]=4 512 B10R1.14 CNC(=O)C1=NN(C)C=C1 SBB073503 [0,2,0,0,0,0|2,0,0]=4 513 B10R1.14 COC(=O)C1=CC(Br)=CN1 SBB053897 [0,2,0,0,0,0|1,0,1]=4 514 B10R1.14 COC(=O)C1=CC=C(Br)O1 SBB041085 [0,2,0,0,0,0|1,1,0]=4 515 B10R1.14 COC(=O)C1=CC=C(C)S1 SBB027056 [0,2,0,0,0,0|1,0,0]=3 516 B10R1.14 COC(=O)C1=CC=C(N)S1 SBB014204 [0,2,0,0,0,0|1,0,0]=3 517 B10R1.14 COC(=O)C1=CN=C(Br)S1 SBB053907 [0,2,0,0,0,0|2,0,0]=4 518 B10R1.14 COC(=O)C1=CN=C(N)S1 SBB053918 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.14 COC(=O)C1=COC(C)=N1 SBB086182 [0,2,0,0,0,0|2,0,0]=4 520 B10R1.14 COC(=O)C1=CSC(Br)=N1 SBB067619 [0,2,0,0,0,0|2,0,0]=4 521 B10R1.14 COC(=O)C1=CSC(Cl)=N1 SBB066589 [0,2,0,0,0,0|2,0,0]=4 522 B10R1.14 COC(=O)C1=CSC(N)=N1 SBB053903 [0,2,0,0,0,0|2,0,0]=4 523 B10R1.14 COC(=O)C1=NC(Br)=NN1 SBB074229 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.14 COC(=O)C1=NC=C(C)S1 SBB087214 [0,2,0,0,0,0|0,0,0]=2 525 B10R1.14 COC(=O)C1=NN(C)C=C1 SBB021345 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.14 COC(=O)C1=NNC(=O)N1 SBB051636 [0,2,0,0,0,0|2,0,0]=4 527 B10R1.14 COC(=O)C1=NNC(C)=C1 SBB022982 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.14 COC(=O)C1=NNC(N)=C1 SBB032975 [0,2,0,0,0,0|2,0,0]=4 529 B10R1.14 COC(=O)C1=NNC(N)=N1 SBB042580 [0,2,0,0,0,0|2,0,0]=4 530 B10R1.14 COC(=O)C1=NOC(C)=C1 SBB053925 [0,2,0,0,0,0|2,0,0]=4 531 B10R1.14 C\C(=N/O)C1=CC=C(F)S1 SBB073358 [0,2,0,0,0,0|1,0,1]=4 532 B10R1.14 NNC(=O)C1=CC(Br)=CS1 SBB021062 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.14 NNC(=O)C1=CC=C(Br)S1 SBB017797 [0,2,0,0,0,0|2,0,0]=4 534 B10R1.149 CN1C=CC=C1C(=O)CCl SBB010396 [0,2,0,0,0,0|1,0,1]=4 535 B10R1.149 COC(=O)C1=C(Br)SC=N1 SBB066590 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.149 COC(=O)C1=C(C)C=CO1 SBB069525 [0,2,0,0,0,0|1,1,0]=4 537 B10R1.149 COC(=O)C1=C(Cl)C=CS1 SBB053879 [0,2,0,0,0,0|1,0,0]=3 538 B10R1.149 COC(=O)C1=C(N)C=CS1 SBB017942 [0,2,0,0,0,0|1,0,0]=3 539 B10R1.149 COC(=O)C1=C(O)C=CS1 SBB016862 [0,2,0,0,0,0|1,0,0]=3 540 B10R1.149 COC(=O)C1=CC=CN1C SBB086060 [0,2,0,0,0,0|1,0,1]=4 541 B10R1.149 COC(=O)C1=NNC=C1Br SBB022111 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.149 COC(=O)C1=NNC=C1Cl SBB021755 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.149 COC(=O)C1=NNC=C1I SBB024901 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.149 COC(=O)C1=NNC=C1N SBB005597 [0,2,0,0,0,0|2,0,0]=4 545 B10R1.55 CS(=O)(=O)C1=NN=C(N)S1 SBB073160 [0,2,0,0,0,0|2,0,0]=4 546 B10R1.31 CC(=O)C1=CC(C=O)=CS1 SBB301822 [0,2,0,0,0,0|1,0,0]=3 547 B10R1.31 CC(=O)C1=CC(CCl)=CS1 SBB002903 [0,2,0,0,0,0|1,0,0]=3 548 B10R1.31 CC(=O)C1=CC(CO)=CS1 SBB002902 [0,2,0,0,0,0|1,0,0]=3 549 B10R1.31 CC(=O)C1=CC=C(C#N)S1 SBB055753 [0,2,0,0,0,0|1,0,0]=3 550 B10R1.31 CC(=O)C1=CC=C(C=O)S1 SBB087020 [0,2,0,0,0,0|1,0,0]=3 551 B10R1.31 CC(C)C1=NC(CCl)=CS1 SBB109802 [0,2,0,0,0,0|1,0,1]=4 552 B10R1.31 CCC1=CC=C(C(=O)O)S1 SBB019480 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.31 CCC1=CC=C(C(C)=O)S1 SBB021979 [0,2,0,0,0,0|1,0,0]=3 554 B10R1.31 CCN1C=CC(C(C)=O)=N1 SBB021676 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.31 COC1=CC=C(C(=O)O)S1 SBB023958 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.31 CSC1=CC=C(C(=O)O)S1 SBB002900 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.58 CC(=O)C1=NC(C)=C(C)S1 SBB055796 [0,2,0,0,0,0|0,0,0]=2 558 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 SBB018976 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 SBB009532 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 SBB015874 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 SBB006624 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 SBB010095 [0,2,0,0,0,0|2,0,0]=4 563 B10R1.59 CC(=O)C1=NN(C)C=C1Cl SBB021681 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.59 CC(=O)C1=NN(C)C=C1I SBB074009 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.59 CC1=CC(C)=C(C(=O)O)S1 SBB302001 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.39 COC1=C(C(=O)O)SC=C1 SBB036127 [0,2,0,0,0,0|2,0,0]=4 567 B8R1.4 CC1=CN=CC(Br)=C1 SBB054290 [0,0,1,1,0,0|2,0,0]=4 568 B8R1.4 CC1=CN=CC(Br)=N1 SBB054472 [0,0,1,1,0,0|2,0,0]=4 569 B8R1.4 CC1=CN=CC(C)=C1 SBB060372 [0,0,1,1,0,0|2,0,0]=4 570 B8R1.4 CC1=CN=CC(Cl)=N1 SBB054461 [0,0,1,1,0,0|2,0,0]=4 571 B8R1.4 CC1=CN=CC(N)=C1 SBB051822 [0,0,1,1,0,0|2,0,0]=4 572 B8R1.4 CC1=CN=CC(N)=N1 SBB051946 [0,0,1,1,0,0|2,0,0]=4 573 B8R1.4 CC1=CN=CC(O)=C1 SBB055598 [0,0,1,1,0,0|1,1,0]=4 574 B8R1.5 CC1=C(C)N=CC=C1 SBB060735 [0,0,1,1,0,0|2,0,0]=4 575 B8R1.5 CC1=CC=CN=C1Br SBB054403 [0,0,1,1,0,0|2,0,0]=4 576 B8R1.5 CC1=CC=CN=C1I SBB054379 [0,0,1,1,0,0|2,0,0]=4 577 B8R1.5 CC1=CC=CN=C1N SBB004356 [0,0,1,1,0,0|2,0,0]=4 578 B8R1.2 C=CC1=NC=CN=C1 SBB055880 [1,0,0,0,0,1|1,0,1]=4 579 B8R1.2 CCC1=CC=CC=N1 SBB060373 [1,0,0,0,0,1|1,0,1]=4 580 B8R1.2 CCC1=CN=CC=C1 SBB060374 [1,0,0,0,0,1|1,0,1]=4 581 B8R1.2 CNC1=NC=CN=C1 SBB018751 [1,0,0,0,0,1|2,0,0]=4 582 B8R1.2 CSC1=NN=CC=N1 SBB085690 [1,0,0,0,0,1|2,0,0]=4 583 B8R1.2 O=CC1=CC=CN=C1 SBB004359 [1,0,0,0,0,1|1,0,0]=3 584 B8R1.2 O=CC1=CC=NC=C1 SBB004357 [1,0,0,0,0,1|2,0,0]=4 585 B8R1.2 O=CC1=CN=CN=C1 SBB065690 [1,0,0,0,0,1|2,0,0]=4 586 B8R1.2 O=CC1=NC=CC=C1 SBB004358 [1,0,0,0,0,1|1,0,0]=3 587 B8R1.2 O=CC1=NC=CC=N1 SBB052320 [1,0,0,0,0,1|1,0,0]=3 588 B8R1.2 O=CC1=NC=CN=C1 SBB052318 [1,0,0,0,0,1|1,0,0]=3 589 B10R1.18 CC(=O)CC1=CC=NC=C1 SBB055597 [0,0,0,0,0,2|2,0,0]=4 590 B10R1.18 CC(=O)NC1=CC=CC=C1 SBB040833 [0,0,0,0,0,2|2,0,0]=4 591 B10R1.18 CC(=O)NC1=CC=CC=N1 SBB085932 [0,0,0,0,0,2|1,0,0]=3 592 B10R1.18 CC(=O)NC1=CC=NC=C1 SBB085931 [0,0,0,0,0,2|2,0,0]=4 593 B10R1.18 CC(=O)OC1=CC=CC=C1 SBB058747 [0,0,0,0,0,2|2,0,0]=4 594 B10R1.18 O=C(O)CC1=CC=CN=C1 SBB003812 [0,0,0,0,0,2|2,0,0]=4 595 B10R1.18 O=C(O)CC1=NC=CC=C1 SBB003810 [0,0,0,0,0,2|2,0,0]=4 596 B10R1.66 CC(=O)CCN1C=CC=N1 SBB047979 [0,0,0,0,0,2|2,0,0]=4 597 B10R1.66 CC(=O)OCC1=CC=CO1 SBB055767 [0,0,0,0,0,2|1,1,0]=4 598 B10R1.66 CC(=O)SCC1=CC=CO1 SBB057323 [0,0,0,0,0,2|1,1,0]=4 599 B10R1.66 CC(=O)\C=C\C1=CC=CO1 SBB056697 [0,0,0,0,0,2|1,1,0]=4 600 B10R1.66 CC(=O)\C=C\C1=CC=CS1 SBB056771 [0,0,0,0,0,2|1,0,0]=3 601 B10R1.66 OC(=O)\C=C\C1=CC=CS1 SBB004032 [0,0,0,0,0,2|2,0,0]=4