0 B5R0.1 C#CCC(=O)O SBB116169 [0,0,0,0,0,0|0,0,3]=3 1 B5R0.1 CC(=O)CC#N SBB014113 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 CC(=O)N=S=O SBB059583 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 CC(C)=CCBr SBB061690 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CCCC(=O)Cl SBB040624 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.1 CCOC(=O)Cl SBB040861 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 COCC(=O)O SBB061376 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.1 CSCC(=O)O SBB053570 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.1 C\C(Cl)=C\CN SBB301293 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 C\C(N)=C\C#N SBB002655 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 N#CCC(N)=O SBB007540 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 O=C(O)CCBr SBB065770 [0,0,0,0,0,0|1,0,2]=3 12 B5R0.1 O=C(O)CCCl SBB069140 [0,0,0,0,0,0|1,0,2]=3 13 B4R0.1 COC(=N)N SBB067236 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 CSC(=N)N SBB080624 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 CSC(=N)N SBB095512 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 NCC(=O)O SBB071447 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 NCC(=O)[O-] SBB116671 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 O=C(Br)CBr SBB040828 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 O=C(Cl)CBr SBB051682 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 O=C(Cl)CCl SBB040859 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 O=C(O)CBr SBB053569 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 [NH2+]=C(N)SC SBB060409 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 [NH3+]NC(N)=O SBB060865 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.2 C\C=C\CC SBB059879 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.2 Cl\C=C/CCl SBB061393 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.1 C#CC(=O)OCC SBB060344 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.1 C=CC(=O)OCC SBB060348 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.1 CCCC(=O)CC SBB061496 [0,1,0,0,0,0|1,0,2]=4 29 B6R0.1 CCCC(=O)NN SBB028175 [0,1,0,0,0,0|1,0,2]=4 30 B6R0.1 CCCC(=O)OC SBB061104 [0,1,0,0,0,0|0,0,2]=3 31 B6R0.1 CCC\C(N)=N/O SBB028173 [0,1,0,0,0,0|1,0,2]=4 32 B6R0.1 CCNC(=O)CBr SBB051008 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.1 CCNC(=O)CCl SBB008200 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.1 CCOC(=O)CBr SBB060995 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.1 CCOC(=O)CC SBB060312 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.1 CCOC(=O)NN SBB028182 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.1 COC(=O)CC#N SBB059483 [0,1,0,0,0,0|1,0,2]=4 38 B6R0.1 COC(=O)CCBr SBB070709 [0,1,0,0,0,0|1,0,2]=4 39 B6R0.1 COC(=O)CCN SBB071679 [0,1,0,0,0,0|1,0,2]=4 40 B6R0.1 COCC(=O)NN SBB021113 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.1 C\C=C\C(=O)OC SBB061218 [0,1,0,0,0,0|0,0,0]=1 42 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.2 C=C(C)OC(C)=O SBB056824 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.2 CC(=O)C=C(C)C SBB040870 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.2 CC(=O)CC(C)C SBB060384 [0,1,0,0,0,0|1,0,2]=4 47 B6R0.2 CC(=O)CC(N)=O SBB061675 [0,1,0,0,0,0|1,0,1]=3 48 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.2 CC(=O)\C=C(\C)[O-] SBB080715 [0,1,0,0,0,0|1,0,0]=2 50 B6R0.2 CC(C)=CC(=O)O SBB065769 [0,1,0,0,0,0|0,0,0]=1 51 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.2 CC(C)CC(N)=O SBB028167 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.2 CC(O)CC(=O)O SBB065815 [0,1,0,0,0,0|0,0,2]=3 54 B6R0.2 CN(C)CC(=O)O SBB065779 [0,1,0,0,0,0|1,0,1]=3 55 B6R0.2 NC(=O)CC(=O)O SBB049982 [0,1,0,0,0,0|1,0,1]=3 56 B6R0.2 NC(=O)CC(N)=O SBB044920 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.2 O=C(Cl)CC(=O)Cl SBB060017 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.2 O=C(O)CC(=O)O SBB040552 [0,1,0,0,0,0|1,0,1]=3 59 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,1,0,0,0,0|1,0,1]=3 60 B6R0.3 C=C(C)C(=O)OC SBB060556 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.3 CC(=O)\C(C)=N/O SBB061682 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.3 CC(CN)C(=O)O SBB061656 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.3 CCC(=O)C(C)=O SBB061626 [0,1,0,0,0,0|1,0,1]=3 64 B6R0.3 CCC(Br)C(=O)O SBB040791 [0,1,0,0,0,0|0,0,2]=3 65 B6R0.3 CCC(N)C(N)=O SBB017505 [0,1,0,0,0,0|1,0,2]=4 66 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [0,1,0,0,0,0|0,0,2]=3 67 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [0,1,0,0,0,0|1,0,1]=3 68 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [0,1,0,0,0,0|1,0,1]=3 69 B6R0.3 C\C=C(\C)C(=O)O SBB071598 [0,1,0,0,0,0|0,0,0]=1 70 B6R0.3 NC(CO)C(=O)O SBB061655 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.3 NCC(N)C(=O)O SBB060844 [0,1,0,0,0,0|1,0,2]=4 72 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [0,1,0,0,0,0|1,0,2]=4 73 B6R0.3 NNC(=O)C(N)=O SBB111635 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.3 O=C(O)C(=O)CBr SBB053571 [0,1,0,0,0,0|1,0,1]=3 75 B6R0.3 O=C(O)C(=O)CBr SBB053584 [0,1,0,0,0,0|1,0,1]=3 76 B6R0.3 O=C(O)C(Br)CBr SBB068302 [0,1,0,0,0,0|1,0,2]=4 77 B6R0.3 O=C(O)C(O)CCl SBB072606 [0,1,0,0,0,0|1,0,2]=4 78 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [0,1,0,0,0,0|1,0,2]=4 79 B6R0.4 C#CCCC(=O)O SBB009121 [0,1,0,0,0,0|0,0,3]=4 80 B6R0.4 C=CCCC(=O)O SBB061214 [0,1,0,0,0,0|0,0,2]=3 81 B6R0.4 C=CCCC(C)=O SBB009089 [0,1,0,0,0,0|1,0,2]=4 82 B6R0.4 CC(=O)NCCCl SBB008165 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.4 CC(=O)NCCN SBB028176 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.4 CC(=O)NCCO SBB007954 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.4 CC(=O)OCCCl SBB058505 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.4 CCC#CC(C)=O SBB009086 [0,1,0,0,0,0|1,0,2]=4 87 B6R0.4 CCCCC(=O)O SBB053585 [0,1,0,0,0,0|0,0,2]=3 88 B6R0.4 CCCCC(C)=O SBB061262 [0,1,0,0,0,0|1,0,2]=4 89 B6R0.4 CCCCC(N)=O SBB028169 [0,1,0,0,0,0|1,0,2]=4 90 B6R0.4 CCCNC(N)=O SBB028174 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.4 CCCOC(C)=O SBB060305 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.4 CCCOC(N)=O SBB000036 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.4 CCOCC(=O)O SBB069120 [0,1,0,0,0,0|0,0,2]=3 94 B6R0.4 CCSCC(=O)O SBB047288 [0,1,0,0,0,0|0,0,2]=3 95 B6R0.4 CC\C=C\C(=O)O SBB061994 [0,1,0,0,0,0|0,0,0]=1 96 B6R0.4 CNCCC(N)=O SBB080375 [0,1,0,0,0,0|1,0,2]=4 97 B6R0.4 NCCCC(=O)O SBB028179 [0,1,0,0,0,0|0,0,2]=3 98 B6R0.4 O=C(Cl)CCCCl SBB060894 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.4 O=C(O)CCCBr SBB065986 [0,1,0,0,0,0|0,0,2]=3 100 B6R1.2 BrC1=CC=CO1 SBB054415 [0,0,0,1,0,0|1,0,1]=3 101 B6R1.2 BrC1=CC=CS1 SBB003931 [0,0,0,1,0,0|1,1,1]=4 102 B6R1.2 BrC1=CC=NN1 SBB062821 [0,0,0,1,0,0|3,0,0]=4 103 B6R1.2 BrC1=CC=NS1 SBB027176 [0,0,0,1,0,0|2,1,0]=4 104 B6R1.2 BrC1=COC=C1 SBB004098 [0,0,0,1,0,0|3,0,0]=4 105 B6R1.2 BrC1=CSC=C1 SBB003930 [0,0,0,1,0,0|3,0,0]=4 106 B6R1.2 CC1=NNC=C1 SBB004404 [0,0,0,1,0,0|3,0,0]=4 107 B6R1.2 FC1=CC=CS1 SBB073288 [0,0,0,1,0,0|1,1,1]=4 108 B6R1.2 IC1=CC=CS1 SBB054409 [0,0,0,1,0,0|1,1,1]=4 109 B6R1.2 N1C=CC(I)=N1 SBB091657 [0,0,0,1,0,0|3,0,0]=4 110 B6R1.2 NC1=NC=CO1 SBB019333 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.2 NC1=NNC=C1 SBB004401 [0,0,0,1,0,0|3,0,0]=4 112 B6R1.2 NC1=NOC=C1 SBB051928 [0,0,0,1,0,0|3,0,0]=4 113 B6R1.2 O=C1C=CCO1 SBB040281 [0,0,0,1,0,0|0,0,0]=1 114 B6R1.2 O=C1CCCC1 SBB040835 [0,0,0,1,0,0|1,0,2]=4 115 B6R1.2 O=C1CCCN1 SBB060296 [0,0,0,1,0,0|1,0,2]=4 116 B6R1.2 O=C1CCNN1 SBB007977 [0,0,0,1,0,0|3,0,0]=4 117 B6R1.2 O=C1CCSC1 SBB007947 [0,0,0,1,0,0|2,0,1]=4 118 B6R1.2 O=C1NC=CN1 SBB071638 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.2 O=C1NC=NN1 SBB116064 [0,0,0,1,0,0|3,0,0]=4 120 B6R1.2 OC1=NNCC1 SBB047550 [0,0,0,1,0,0|3,0,0]=4 121 B6R1.2 SC1=CC=CS1 SBB059094 [0,0,0,1,0,0|0,2,1]=4 122 B6R1.11 CC(=O)C1CC1 SBB040825 [0,0,0,1,0,0|1,0,2]=4 123 B6R1.11 NC(=O)C1CC1 SBB008326 [0,0,0,1,0,0|1,0,2]=4 124 B6R1.11 O=C(Cl)C1CC1 SBB061720 [0,0,0,1,0,0|1,0,2]=4 125 B6R1.11 O=C(O)C1CC1 SBB008028 [0,0,0,1,0,0|0,0,2]=3 126 B3R0.1 C=CCBr SBB059929 [2,0,0,0,0,0|1,0,1]=4 127 B3R0.1 C\C=C\Cl SBB059896 [2,0,0,0,0,0|1,0,0]=3 128 B3R0.2 NC(N)=O SBB008449 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.3 C#CC(=O)OC SBB049642 [1,1,0,0,0,0|0,0,2]=4 130 B5R0.3 C#CC(O)C=C SBB009126 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.3 C=CC(O)CBr SBB007652 [1,1,0,0,0,0|1,0,1]=4 132 B5R0.3 CCC(=O)NN SBB021112 [1,1,0,0,0,0|1,0,1]=4 133 B5R0.3 CC\C(N)=N\O SBB024198 [1,1,0,0,0,0|1,0,1]=4 134 B5R0.3 CNC(=O)CBr SBB080576 [1,1,0,0,0,0|2,0,0]=4 135 B5R0.3 CNC(=O)CCl SBB049936 [1,1,0,0,0,0|2,0,0]=4 136 B5R0.3 COC(=O)CBr SBB056823 [1,1,0,0,0,0|1,0,1]=4 137 B5R0.3 COC(=O)CCl SBB040686 [1,1,0,0,0,0|1,0,1]=4 138 B5R0.3 COC(=O)NN SBB061728 [1,1,0,0,0,0|2,0,0]=4 139 B5R0.3 NNC(=O)CO SBB111858 [1,1,0,0,0,0|2,0,0]=4 140 B5R0.3 P(=O)(OC)OC SBB060964 [1,1,0,0,0,0|2,0,0]=4 141 B5R0.5 CC(=O)C(C)Cl SBB060958 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.5 CC(Br)C(=O)O SBB060286 [1,1,0,0,0,0|0,0,1]=3 143 B5R0.5 CC(C)C(=O)Cl SBB060269 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.5 CC(O)C(=O)O SBB065762 [1,1,0,0,0,0|0,0,1]=3 145 B5R0.5 CN(C)C(=O)Cl SBB040876 [1,1,0,0,0,0|2,0,0]=4 146 B5R0.5 CN(C)C(=O)[O-] SBB059132 [1,1,0,0,0,0|1,0,1]=4 147 B5R0.2 BrC\C=C\CBr SBB059946 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.2 ClC\C=C\CCl SBB060216 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.2 CCC(C)CC(=O)O SBB008180 [0,2,0,0,0,0|0,0,2]=4 150 B7R0.2 COC(=O)CC(C)=O SBB060889 [0,2,0,0,0,0|0,0,1]=3 151 B7R0.2 COC(=O)\C=C(\C)N SBB061677 [0,2,0,0,0,0|0,0,0]=2 152 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [0,2,0,0,0,0|0,0,2]=4 153 B7R0.3 COC(=O)\C=C\CBr SBB070730 [0,2,0,0,0,0|0,0,0]=2 154 B7R0.5 CC(NC=O)C(=O)O SBB047145 [0,2,0,0,0,0|1,0,1]=4 155 B7R0.5 CCCC(Br)C(=O)O SBB065976 [0,2,0,0,0,0|0,0,2]=4 156 B7R0.5 CCCC(C)C(=O)O SBB065915 [0,2,0,0,0,0|0,0,2]=4 157 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [0,2,0,0,0,0|0,0,2]=4 158 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [0,2,0,0,0,0|0,0,0]=2 159 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [0,2,0,0,0,0|0,0,2]=4 160 B7R0.5 NC(CCO)C(=O)O SBB065734 [0,2,0,0,0,0|0,0,2]=4 161 B7R0.5 NC(CCS)C(=O)O SBB065757 [0,2,0,0,0,0|0,0,2]=4 162 B7R0.5 NCCC(N)C(=O)O SBB053580 [0,2,0,0,0,0|0,0,2]=4 163 B7R0.5 NCCC(N)C(=O)O SBB066000 [0,2,0,0,0,0|0,0,2]=4 164 B7R0.5 NCCC(O)C(=O)O SBB066010 [0,2,0,0,0,0|0,0,2]=4 165 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [0,2,0,0,0,0|0,0,2]=4 166 B7R0.5 OC(=O)[C@H](CC=C)N SBB006743 [0,2,0,0,0,0|0,0,2]=4 167 B7R0.7 C=C=CC(=O)OCC SBB054147 [0,2,0,0,0,0|0,0,2]=4 168 B7R0.7 CC#CC(=O)OCC SBB069554 [0,2,0,0,0,0|0,0,2]=4 169 B7R0.7 CCOC(=O)OCC SBB060086 [0,2,0,0,0,0|1,0,1]=4 170 B7R0.7 C\C=C\C(=O)OCC SBB061219 [0,2,0,0,0,0|0,0,0]=2 171 B7R0.7 N(C)CC(=O)OCC SBB004039 [0,2,0,0,0,0|1,0,1]=4 172 B7R0.10 CCC(Br)C(=O)OC SBB070737 [0,2,0,0,0,0|0,0,2]=4 173 B7R0.10 CNC(=O)C(=O)NC SBB007883 [0,2,0,0,0,0|2,0,0]=4 174 B7R0.10 COC(=O)C(=O)OC SBB040902 [0,2,0,0,0,0|1,0,0]=3 175 B7R0.10 COC(=O)C(Cl)C=O SBB072103 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.9 CC(C)(C)CC(=O)O SBB061347 [0,2,0,0,0,0|0,0,2]=4 177 B7R0.9 CC(C)(O)CC(=O)O SBB053604 [0,2,0,0,0,0|0,0,2]=4 178 B7R0.16 CC(=O)C(Cl)C(C)=O SBB058797 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.16 CC(=O)N(C)C(C)=O SBB007865 [0,2,0,0,0,0|2,0,0]=4 180 B7R0.16 CC(C(=O)O)N(C)C SBB046579 [0,2,0,0,0,0|1,0,1]=4 181 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [0,2,0,0,0,0|0,0,2]=4 182 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [0,2,0,0,0,0|0,0,2]=4 183 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [0,2,0,0,0,0|0,0,2]=4 184 B7R0.16 CC(O)C(N)C(=O)O SBB061654 [0,2,0,0,0,0|0,0,2]=4 185 B7R0.16 O=C(O)C(Cl)=C(Cl)Cl SBB089088 [0,2,0,0,0,0|1,0,0]=3 186 B7R0.13 CCC(C)(C)C(=O)O SBB065772 [0,2,0,0,0,0|0,0,2]=4 187 B7R0.15 CCC(CC)C(=O)O SBB061341 [0,2,0,0,0,0|0,0,2]=4 188 B7R0.15 CNC(CS)C(=O)O SBB053575 [0,2,0,0,0,0|1,0,1]=4 189 B7R0.4 C#CCCCC(=O)O SBB009090 [0,2,0,0,0,0|0,0,2]=4 190 B7R0.4 CCCC#CC(=O)O SBB009091 [0,2,0,0,0,0|0,0,2]=4 191 B7R0.4 CCCCCC(=O)O SBB053586 [0,2,0,0,0,0|0,0,2]=4 192 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,2,0,0,0,0|0,0,0]=2 193 B7R0.4 CCOCCC(=O)O SBB053607 [0,2,0,0,0,0|0,0,2]=4 194 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [0,2,0,0,0,0|0,0,0]=2 195 B7R0.4 NCCCCC(=O)O SBB061559 [0,2,0,0,0,0|0,0,2]=4 196 B7R0.4 O=C(O)CCCCBr SBB061343 [0,2,0,0,0,0|0,0,2]=4 197 B7R0.4 O=C(O)CCCCCl SBB061215 [0,2,0,0,0,0|0,0,2]=4 198 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,2,0,0,0,0|0,0,0]=2 199 B7R0.6 CC(=O)CCC(=O)O SBB040561 [0,2,0,0,0,0|0,0,1]=3 200 B7R0.6 CC(=O)CCC(C)=O SBB040811 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.6 CC(=O)NCC(=O)O SBB036034 [0,2,0,0,0,0|0,0,1]=3 202 B7R0.6 CC(=O)NNC(C)=O SBB067157 [0,2,0,0,0,0|2,0,0]=4 203 B7R0.6 CC(C)=NNC(N)=O SBB111787 [0,2,0,0,0,0|2,0,0]=4 204 B7R0.6 CC(C)CCC(=O)O SBB065829 [0,2,0,0,0,0|0,0,2]=4 205 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [0,2,0,0,0,0|0,0,0]=2 206 B7R0.6 N=C(N)NCC(=O)O SBB028198 [0,2,0,0,0,0|1,0,1]=4 207 B7R0.6 NC(=O)\C=C/C(=O)O SBB007773 [0,2,0,0,0,0|0,0,1]=3 208 B7R0.6 NC(=O)\C=C\C(N)=O SBB000043 [0,2,0,0,0,0|1,0,1]=4 209 B7R0.6 NC(=S)NCC(=O)O SBB057116 [0,2,0,0,0,0|1,0,1]=4 210 B7R0.6 O=C(O)C#CC(=O)O SBB059645 [0,2,0,0,0,0|1,0,1]=4 211 B7R0.6 O=C(O)CCC(=O)O SBB040562 [0,2,0,0,0,0|1,0,1]=4 212 B7R0.6 O=C(O)\C=C/C(=O)O SBB040567 [0,2,0,0,0,0|0,0,1]=3 213 B7R0.6 O=C(O)\C=C\C(=O)O SBB008547 [0,2,0,0,0,0|0,0,1]=3 214 B7R0.6 O=C([O-])C#CC(=O)O SBB008993 [0,2,0,0,0,0|1,0,1]=4 215 B5R1.1 C1=CNN=C1 SBB059844 [1,0,0,1,0,0|2,0,0]=4 216 B5R1.1 C1=COC=N1 SBB061419 [1,0,0,1,0,0|1,0,1]=4 217 B5R1.1 C1=CSN=C1 SBB012883 [1,0,0,1,0,0|1,1,0]=4 218 B7R1.1 C(=O)C1=CSC=C1 SBB004320 [0,1,0,1,0,0|2,0,0]=4 219 B7R1.1 ClCC1=CC=NO1 SBB013787 [0,1,0,1,0,0|2,0,0]=4 220 B7R1.1 N#CC1=CC=CO1 SBB055776 [0,1,0,1,0,0|1,0,1]=4 221 B7R1.1 NCC1=CC=CO1 SBB004376 [0,1,0,1,0,0|1,0,1]=4 222 B7R1.1 O=CC1=CC=CN1 SBB004389 [0,1,0,1,0,0|1,0,1]=4 223 B7R1.1 O=CC1=CC=CN1 SBB004390 [0,1,0,1,0,0|1,0,1]=4 224 B7R1.1 O=CC1=CC=CO1 SBB004386 [0,1,0,1,0,0|0,0,1]=3 225 B7R1.1 O=CC1=CC=CS1 SBB004321 [0,1,0,1,0,0|0,1,1]=4 226 B7R1.1 O=CC1=CNC=C1 SBB052279 [0,1,0,1,0,0|2,0,0]=4 227 B7R1.1 O=CC1=COC=C1 SBB004385 [0,1,0,1,0,0|2,0,0]=4 228 B7R1.1 O=CC1=NC=CO1 SBB052295 [0,1,0,1,0,0|1,0,1]=4 229 B7R1.1 O=CC1=NNC=C1 SBB052310 [0,1,0,1,0,0|2,0,0]=4 230 B7R1.1 OCC1=CC=CO1 SBB004373 [0,1,0,1,0,0|0,0,2]=4 231 B7R1.1 OCC1=CC=CS1 SBB058563 [0,1,0,1,0,0|0,1,1]=4 232 B7R1.1 OCC1=CC=NN1 SBB014141 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.1 OCC1=CSC=C1 SBB004309 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.1 SCC1=CC=CO1 SBB004308 [0,1,0,1,0,0|0,1,1]=4 235 B7R1.2 CC1=CC(=O)NO1 SBB055813 [0,1,0,1,0,0|0,0,0]=2 236 B7R1.2 CC1=CC(C)=NN1 SBB004377 [0,1,0,1,0,0|2,0,0]=4 237 B7R1.2 CC1=CC(C)=NO1 SBB042637 [0,1,0,1,0,0|1,0,0]=3 238 B7R1.2 CC1=CC(N)=NO1 SBB005553 [0,1,0,1,0,0|1,0,0]=3 239 B7R1.2 CC1=CC=C(C)N1 SBB059455 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.2 CC1=CC=C(Cl)S1 SBB054408 [0,1,0,1,0,0|1,1,0]=4 241 B7R1.2 CC1=CN=C(Br)S1 SBB054420 [0,1,0,1,0,0|1,1,0]=4 242 B7R1.2 CC1=CN=C(N)S1 SBB028194 [0,1,0,1,0,0|1,1,0]=4 243 B7R1.2 CC1=CNC(C)=C1 SBB059454 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.2 CC1=COC(N)=N1 SBB051930 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.2 CC1=CSC(Br)=N1 SBB054421 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.2 CC1=CSC(S)=N1 SBB041075 [0,1,0,1,0,0|1,1,0]=4 247 B7R1.2 CC1=NN(C)C=C1 SBB015024 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.2 CC1=NN=C(N)O1 SBB046365 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.2 CC1=NNC(N)=C1 SBB004375 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.2 CC1=NOC(N)=C1 SBB006539 [0,1,0,1,0,0|1,0,0]=3 251 B7R1.2 CC1=NSC(N)=C1 SBB004066 [0,1,0,1,0,0|1,1,0]=4 252 B7R1.2 CN1C=CC(Br)=N1 SBB051488 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.2 CN1C=CC(I)=N1 SBB093951 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.2 CN1C=CC(N)=N1 SBB019460 [0,1,0,1,0,0|2,0,0]=4 255 B7R1.2 N1C=C(C)N=C1C SBB004378 [0,1,0,1,0,0|2,0,0]=4 256 B7R1.2 N1C=C(C)N=C1S SBB059569 [0,1,0,1,0,0|1,1,0]=4 257 B7R1.2 N1N=C(C)CC1=O SBB004372 [0,1,0,1,0,0|1,0,1]=4 258 B7R1.2 NC1=CC(=O)NO1 SBB303237 [0,1,0,1,0,0|1,0,0]=3 259 B7R1.2 NC1=NC(C)=CS1 SBB004307 [0,1,0,1,0,0|2,0,0]=4 260 B7R1.2 NC1=NNC(O)=C1 SBB005531 [0,1,0,1,0,0|2,0,0]=4 261 B7R1.2 O=C1C=C(O)CO1 SBB056227 [0,1,0,1,0,0|0,0,0]=2 262 B7R1.2 O=C1C=CC(=O)O1 SBB060268 [0,1,0,1,0,0|0,0,1]=3 263 B7R1.2 O=C1CCC(=O)N1 SBB040866 [0,1,0,1,0,0|2,0,0]=4 264 B7R1.2 O=C1CCC(=O)O1 SBB040819 [0,1,0,1,0,0|1,0,1]=4 265 B7R1.2 O=C1COC(=O)C1 SBB008561 [0,1,0,1,0,0|0,0,1]=3 266 B7R1.2 O=C1CSC(=O)N1 SBB000047 [0,1,0,1,0,0|1,1,0]=4 267 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,1,0,1,0,0|0,0,2]=4 268 B7R1.2 O=C1NCC(=S)N1 SBB076199 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.3 O=C1C=CC=NN1 SBB005360 [0,1,0,1,0,0|1,0,1]=4 270 B7R1.3 O=C1C=CCCC1 SBB008209 [0,1,0,1,0,0|1,0,0]=3 271 B7R1.3 O=C1C=CNC=C1 SBB005800 [0,1,0,1,0,0|1,0,1]=4 272 B7R1.3 O=C1CCCCO1 SBB060349 [0,1,0,1,0,0|0,0,2]=4 273 B7R1.3 O=C1N=CC=CN1 SBB004216 [0,1,0,1,0,0|1,0,1]=4 274 B7R1.3 OC1=CC=CC=N1 SBB004392 [0,1,0,1,0,0|1,0,1]=4 275 B7R1.3 OC1=CC=NC=C1 SBB000030 [0,1,0,1,0,0|1,0,1]=4 276 B7R1.3 OC1=CN=CC=C1 SBB004391 [0,1,0,1,0,0|1,0,1]=4 277 B7R1.3 OC1=NC=CC=N1 SBB004380 [0,1,0,1,0,0|1,0,1]=4 278 B7R1.3 OC1=NC=NC=C1 SBB055919 [0,1,0,1,0,0|1,0,1]=4 279 B7R1.4 NC1CCOC1=O SBB004366 [0,1,0,1,0,0|0,0,2]=4 280 B7R1.4 NC1CCOC1=O SBB057192 [0,1,0,1,0,0|0,0,2]=4 281 B7R1.4 O=C1OCCC1Br SBB083094 [0,1,0,1,0,0|0,0,2]=4 282 B7R1.22 COC(=O)C1CN1 SBB054042 [0,1,0,1,0,0|1,0,1]=4 283 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [0,1,0,1,0,0|0,0,2]=4 284 B7R1.20 O=C(O)CC1CC1 SBB005442 [0,1,0,1,0,0|0,0,2]=4 285 B7R1.18 O=C(O)C1CCC1 SBB053465 [0,1,0,1,0,0|0,0,2]=4 286 B7R1.18 O=C(O)C1CCN1 SBB053470 [0,1,0,1,0,0|0,0,2]=4 287 B7R1.18 O=C(O)C1CNC1 SBB027353 [0,1,0,1,0,0|0,0,2]=4 288 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [0,1,0,1,0,0|0,0,2]=4 289 B7R1.19 CC1(C(=O)O)CC1 SBB053429 [0,1,0,1,0,0|0,0,2]=4 290 B7R1.19 NC1(C(=O)O)CC1 SBB059531 [0,1,0,1,0,0|0,0,2]=4 291 B7R1.19 NC1(C(=O)O)CC1 SBB065741 [0,1,0,1,0,0|0,0,2]=4 292 B7R1.14 O=S1(=O)C=CCC1 SBB014528 [0,1,0,1,0,0|1,0,1]=4 293 B7R1.14 O=S1(=O)CC=CC1 SBB040827 [0,1,0,1,0,0|1,0,1]=4