0 B8R1.7 CC(=O)C1=CC=CN1 SBB066752 [0,0,0,0,0,0|1,0,3]=4 1 B8R1.7 CC(=O)C1=CC=CO1 SBB040248 [0,0,0,0,0,0|1,1,2]=4 2 B8R1.7 CC(=O)C1=CC=CS1 SBB038710 [0,0,0,0,0,0|1,0,2]=3 3 B8R1.7 CC(=O)C1=CC=NN1 SBB086523 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.7 CC(=O)C1=CSC=C1 SBB048022 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.7 CC(=O)C1=NC=CS1 SBB085685 [0,0,0,0,0,0|0,0,2]=2 6 B8R1.7 CN(N)C1=NCCN1 SBB028402 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.7 N1C=CN=C1C(N)=O SBB059724 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.7 NC(=O)C1=CC=CS1 SBB028227 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.7 NC(=O)C1=CNC=N1 SBB055865 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.7 NC(=O)C1=NCCN1 SBB013487 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.7 NC(=O)C1=NNC=C1 SBB027110 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.7 O=C(Cl)C1=CC=CS1 SBB004099 [0,0,0,0,0,0|2,0,2]=4 15 B8R1.7 O=C(Cl)C1=CSC=N1 SBB053647 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.7 O=C(Cl)C1=NC=CS1 SBB053646 [0,0,0,0,0,0|1,0,2]=3 17 B8R1.7 O=C(O)C1=CC=CS1 SBB004241 [0,0,0,0,0,0|2,0,2]=4 18 B8R1.7 O=C(O)C1=CC=NS1 SBB013118 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.7 O=C(O)C1=CN=CS1 SBB065748 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.7 O=C(O)C1=COC=N1 SBB053171 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.7 O=C(O)C1=CSC=N1 SBB010166 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.7 O=C(O)C1=CSN=N1 SBB028456 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.7 O=C(O)C1=NC=CN1 SBB010014 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.7 O=C(O)C1=NC=CS1 SBB053122 [0,0,0,0,0,0|1,0,2]=3 25 B8R1.7 O=C(O)C1=NNC=C1 SBB000005 [0,0,0,0,0,0|3,0,1]=4 26 B8R1.7 O=C(O)C1=NNC=N1 SBB012750 [0,0,0,0,0,0|3,0,1]=4 27 B8R1.7 O=C(O)C1=NOC=C1 SBB065956 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.7 O=C(O)C1=NON=C1 SBB002780 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.7 O=C(O)C1=NSN=C1 SBB013143 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.7 O=C(O)C1CCCC1 SBB065782 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,0,0,0,0,0|2,1,1]=4 32 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,0,0,0,0,0|2,0,2]=4 33 B8R1.7 OC(=O)C1SCCN1 SBB027340 [0,0,0,0,0,0|1,0,2]=3 34 B7R1.1 CSC1=NCCN1 SBB055871 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.1 N1CCN=C1SC SBB037853 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.1 NNC1=NCCN1 SBB028391 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.1 O=CC1=CC=CS1 SBB004321 [1,0,0,0,0,0|1,0,2]=4 38 B7R1.1 O=CC1=CN=CS1 SBB052293 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.1 O=CC1=COC=N1 SBB052299 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.1 O=CC1=CSC=N1 SBB047478 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.1 O=CC1=CSN=N1 SBB052333 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 O=CC1=NC=CN1 SBB004383 [1,0,0,0,0,0|1,0,2]=4 43 B7R1.1 O=CC1=NC=CN1 SBB004384 [1,0,0,0,0,0|1,0,2]=4 44 B7R1.1 O=CC1=NC=CO1 SBB052295 [1,0,0,0,0,0|0,1,2]=4 45 B7R1.1 O=CC1=NC=CS1 SBB052286 [1,0,0,0,0,0|0,0,2]=3 46 B7R1.1 O=CC1=NNC=C1 SBB052310 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.1 O=CC1CCCC1 SBB069481 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.11 CCC(=O)C1=CC=CS1 SBB028613 [0,1,0,0,0,0|1,0,2]=4 49 B9R1.11 CCC(=O)C1=NC=CS1 SBB109622 [0,1,0,0,0,0|0,0,2]=3 50 B9R1.11 CNC(=O)C1=CC=CS1 SBB086206 [0,1,0,0,0,0|1,0,2]=4 51 B9R1.11 CNC(=O)C1=NNC=C1 SBB073741 [0,1,0,0,0,0|2,0,1]=4 52 B9R1.11 COC(=O)C1=CC=CS1 SBB058305 [0,1,0,0,0,0|1,0,2]=4 53 B9R1.11 COC(=O)C1=CNC=N1 SBB053938 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.11 COC(=O)C1=CSC=N1 SBB066586 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.11 COC(=O)C1=NN=CN1 SBB025958 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.11 COC(=O)C1=NNC=C1 SBB000006 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.11 COC(=O)C1CCCC1 SBB071502 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.11 COC(=O)C1CCCN1 SBB046302 [0,1,0,0,0,0|1,0,2]=4 59 B9R1.11 COC(=O)C1CCCN1 SBB054027 [0,1,0,0,0,0|1,0,2]=4 60 B9R1.11 COC(=O)[C@@H]1CCCN1 SBB003904 [0,1,0,0,0,0|1,0,2]=4 61 B9R1.11 O=C(CBr)C1=CC=CS1 SBB005904 [0,1,0,0,0,0|1,0,2]=4 62 B9R1.11 O=C(CCl)C1=CC=CS1 SBB051673 [0,1,0,0,0,0|1,0,2]=4 63 B9R1.11 O=C(CCl)N1CCCC1 SBB005370 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.35 CC(=O)C1=CC(Br)=CS1 SBB022006 [0,1,0,0,0,0|1,0,2]=4 65 B9R1.35 CC(=O)C1=CC(C)=CS1 SBB066532 [0,1,0,0,0,0|1,0,2]=4 66 B9R1.35 CC(=O)C1=CC=C(Br)S1 SBB058398 [0,1,0,0,0,0|1,0,2]=4 67 B9R1.35 CC(=O)C1=CC=C(C)S1 SBB066533 [0,1,0,0,0,0|1,0,2]=4 68 B9R1.35 CC(=O)C1=CC=C(Cl)S1 SBB066389 [0,1,0,0,0,0|1,0,2]=4 69 B9R1.35 CC(=O)C1=CC=C(F)S1 SBB073293 [0,1,0,0,0,0|1,0,2]=4 70 B9R1.35 CC(=O)C1=CC=C(I)S1 SBB101059 [0,1,0,0,0,0|1,0,2]=4 71 B9R1.35 CC(=O)C1=CSC(C)=N1 SBB109134 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.35 CC(=O)C1=CSC(N)=N1 SBB066604 [0,1,0,0,0,0|2,0,1]=4 73 B9R1.35 CC(=O)C1=NN(C)C=C1 SBB021677 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.35 CC1=CN=C(C(=O)O)S1 SBB053120 [0,1,0,0,0,0|1,0,2]=4 75 B9R1.35 CC1=CSC(C(=O)O)=N1 SBB053102 [0,1,0,0,0,0|1,0,2]=4 76 B9R1.41 CC(=O)C1=C(Br)C=CS1 SBB066536 [0,1,0,0,0,0|1,0,2]=4 77 B9R1.41 CC(=O)C1=C(C)C=CS1 SBB066531 [0,1,0,0,0,0|1,0,2]=4 78 B9R1.41 CC(=O)C1=C(Cl)C=CS1 SBB087489 [0,1,0,0,0,0|1,0,2]=4 79 B9R1.41 CC(=O)C1=C(N)C=CS1 SBB028265 [0,1,0,0,0,0|1,0,2]=4 80 B9R1.41 CC(=O)C1=NC=NN1C SBB051537 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.41 CC(=O)C1=NON=C1C SBB012744 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.41 CC(=O)N1CCCC1=O SBB007922 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.4 CCCCCC(C)=O SBB061125 [0,0,1,0,0,0|2,0,1]=4 84 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,0,1,0,0,0|3,0,0]=4 85 B7R0.5 C=C(C)C(=O)OCC SBB061402 [0,0,1,0,0,0|2,1,0]=4 86 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [0,0,1,0,0,0|3,0,0]=4 87 B7R0.15 COC(OC)C(C)=O SBB060142 [0,0,1,0,0,0|1,1,1]=4 88 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.18 NC(=O)C1CCC1 SBB111823 [0,0,0,0,1,0|2,0,1]=4 90 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [0,0,0,0,1,0|2,0,1]=4 91 B7R1.18 O=C(O)C1CCC1 SBB053465 [0,0,0,0,1,0|2,0,1]=4 92 B7R1.18 O=C(O)C1CCN1 SBB053470 [0,0,0,0,1,0|1,0,2]=4 93 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [0,0,0,0,1,0|1,0,2]=4 94 B9R1.6 CC(=O)C1=CN=CC=C1 SBB040255 [0,0,0,0,0,1|1,0,2]=4 95 B9R1.6 CC(=O)C1=CN=CC=N1 SBB006738 [0,0,0,0,0,1|1,0,2]=4 96 B9R1.6 CC(=O)C1=NC=CC=C1 SBB058824 [0,0,0,0,0,1|1,0,2]=4 97 B9R1.6 CC(=O)C1=NC=CC=N1 SBB055904 [0,0,0,0,0,1|1,0,2]=4 98 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [0,0,0,0,0,1|2,0,1]=4 99 B9R1.6 CC(=O)N1CCNCC1 SBB027339 [0,0,0,0,0,1|3,0,0]=4 100 B9R1.6 O=C(O)C1CNCCS1 SBB053351 [0,0,0,0,0,1|1,0,2]=4 101 B9R1.6 O=C(O)C1CSCCN1 SBB053350 [0,0,0,0,0,1|1,0,2]=4 102 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [0,0,0,0,0,1|3,0,0]=4 103 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [0,0,0,0,0,1|2,0,1]=4 104 B9R1.13 CC(=O)NC1=NC=CS1 SBB012345 [0,0,0,0,0,1|0,0,2]=3 105 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [0,0,0,0,0,1|2,0,1]=4 106 B6R0.4 CC(=O)NCCCl SBB008165 [1,0,1,0,0,0|1,0,1]=4 107 B6R0.4 CC(=O)NCCN SBB028176 [1,0,1,0,0,0|1,0,1]=4 108 B6R0.4 CC(=O)NCCO SBB007954 [1,0,1,0,0,0|0,1,1]=4 109 B6R0.4 CC(=O)OCCCl SBB058505 [1,0,1,0,0,0|1,1,0]=4 110 B6R0.4 CCC#CC(C)=O SBB009086 [1,0,1,0,0,0|1,0,1]=4 111 B6R0.4 CCCCC(C)=O SBB061262 [1,0,1,0,0,0|1,0,1]=4 112 B6R0.4 CCCOC(C)=O SBB060305 [1,0,1,0,0,0|1,1,0]=4 113 B6R0.4 CCSCC(=O)O SBB047288 [1,0,1,0,0,0|1,0,1]=4 114 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,0,1,0,0,0|2,0,0]=4 115 B6R0.6 CCC\C=C\C=O SBB067097 [1,0,1,0,0,0|2,0,0]=4 116 B6R0.3 CC(=O)\C(C)=N/O SBB061682 [1,0,1,0,0,0|1,0,0]=3 117 B6R0.3 CCC(=O)C(C)=O SBB061626 [1,0,1,0,0,0|0,1,0]=3 118 B6R0.3 C\C=C(\C)C(=O)O SBB071598 [1,0,1,0,0,0|2,0,0]=4 119 B6R0.9 CC=C(CC)CC SBB059883 [1,0,1,0,0,0|2,0,0]=4 120 B6R1.2 CC1=NCCN1 SBB040067 [2,0,0,0,0,0|1,0,0]=3 121 B6R1.2 NC1=NCCN1 SBB300496 [2,0,0,0,0,0|2,0,0]=4 122 B6R1.2 NC1=NCCS1 SBB004361 [2,0,0,0,0,0|1,0,0]=3 123 B6R1.2 O=C1CCCC1 SBB040835 [2,0,0,0,0,0|2,0,0]=4 124 B6R1.2 O=C1CCCN1 SBB060296 [2,0,0,0,0,0|1,0,1]=4 125 B6R1.2 SC1=NCCS1 SBB004290 [2,0,0,0,0,0|0,1,0]=3 126 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,1,1,0,0,0|2,0,0]=4 127 B8R0.3 CCOC(=O)C(=O)CBr SBB054095 [0,1,1,0,0,0|1,1,0]=4 128 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [0,1,1,0,0,0|1,1,0]=4 129 B8R0.18 CC(=O)C(=NO)C(C)=O SBB049551 [0,1,1,0,0,0|2,0,0]=4 130 B8R1.1 CC1=CN=C(C=O)S1 SBB052287 [1,1,0,0,0,0|0,0,2]=4 131 B8R1.1 O=CC1=NC(Br)=CS1 SBB066537 [1,1,0,0,0,0|0,0,2]=4 132 B8R1.38 COC(=O)C1CCC1 SBB071501 [0,1,0,0,1,0|1,0,1]=4 133 B10R1.15 COC(=O)C1=CCCCC1 SBB008621 [0,1,0,0,0,1|2,0,0]=4 134 B10R1.27 COC(=O)NC1=NC=CS1 SBB003995 [0,1,0,0,0,1|0,0,2]=4 135 B10R1.27 O=C(CCl)NC1=NC=CS1 SBB000195 [0,1,0,0,0,1|0,0,2]=4 136 B10R1.27 O=C(CCl)NC1=NC=CS1 SBB062607 [0,1,0,0,0,1|0,0,2]=4 137 B10R1.27 O=C(CCl)NC1=NN=CS1 SBB007072 [0,1,0,0,0,1|1,0,1]=4 138 B10R1.54 CC(=O)NC1=NC(C)=CS1 SBB000125 [0,1,0,0,0,1|0,0,2]=4 139 B10R1.54 CC(=O)NC1=NC=C(Br)S1 SBB096082 [0,1,0,0,0,1|0,0,2]=4 140 B10R1.54 CC(=O)NC1=NC=C(Cl)S1 SBB071470 [0,1,0,0,0,1|0,0,2]=4 141 B10R1.54 CC(=O)NC1=NN=C(C)S1 SBB113291 [0,1,0,0,0,1|1,0,1]=4 142 B10R1.54 O=C(O)CC1=NC(=O)CS1 SBB053148 [0,1,0,0,0,1|1,0,1]=4 143 B10R1.11 CCOC(=O)C1SCCS1 SBB056950 [0,2,0,0,0,0|1,0,1]=4 144 B10R1.14 COC(=O)C1=NC=C(C)S1 SBB087214 [0,2,0,0,0,0|0,0,2]=4 145 B10R1.58 CC(=O)C1=NC(C)=C(C)S1 SBB055796 [0,2,0,0,0,0|0,0,2]=4 146 B6R1.11 CC(=O)C1CC1 SBB040825 [0,0,0,0,2,0|0,0,1]=3 147 B6R1.11 NC(=O)C1CC1 SBB008326 [0,0,0,0,2,0|1,0,1]=4 148 B6R1.11 O=C(Cl)C1CC1 SBB061720 [0,0,0,0,2,0|1,0,1]=4 149 B6R1.11 O=C(O)C1CC1 SBB008028 [0,0,0,0,2,0|1,0,1]=4 150 B8R1.2 CSC1=NCCCS1 SBB056240 [1,0,0,0,0,1|1,0,0]=3 151 B8R1.2 O=CC1=CCCOC1 SBB018863 [1,0,0,0,0,1|1,1,0]=4 152 B10R1.66 NC(=O)CSC1=NCCS1 SBB113003 [0,0,0,0,0,2|1,0,0]=3 153 B10R1.66 O=C(O)CNC1=NCCN1 SBB010293 [0,0,0,0,0,2|2,0,0]=4 154 B10R1.66 O=C(O)CSC1=NCCN1 SBB010424 [0,0,0,0,0,2|2,0,0]=4